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 3h45_1_D DATA FIRST_RESID 4 DATA SEQUENCE KNYVMAIDQG TTSSRAIIFD RNGKKIGSSQ KEFPQYFPKS GWVEHNANEI DATA SEQUENCE WNSVQSVIAG AFIESGIRPE AIAGIGITNQ RETTVVWDKT TGQPIANAIV DATA SEQUENCE WQSRQSSPIA DQLKVDGHTE MIHEKTGLVI DAYFSATKVR WLLDNIEGAQ DATA SEQUENCE EKADNGELLF GTIDSWLVWK LTDGQVHVTD YSNASRTMLY NIHKLEWDQE DATA SEQUENCE ILDLLNIPSS MLPEVKSNSE VYGHTRSYEF YGSEVPIAGM AGDQQAALFG DATA SEQUENCE QMAFEKGMIK NTYGTGAFIV MNTGEEPQLS DNDLLTTIGY GINGKVYYAL DATA SEQUENCE EGSIFVAGSA IQWLRDGLRM IETSPQSEEL AAKAKGDNEV YVVPAFTGLG DATA SEQUENCE APYWDSEARG AVFGLTRGTT KEDFVRATLQ AVAYQSKDVI DTMKKDSGID DATA SEQUENCE IPLLKVDGGA AKNDLLMQFQ ADILDIDVQR AANLETTALG AAYLAGLAVG DATA SEQUENCE FWKDLDELKS MAEEGQMFTP EMPAEERDNL YEGWKQAVAA TQTFKFKAK 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.639 176.600 0.065 0.000 0.988 4 K CA 0.000 56.330 56.287 0.071 0.000 0.838 4 K CB 0.000 32.539 32.500 0.065 0.000 1.064 5 N N 0.542 119.219 118.700 -0.038 0.000 2.171 5 N HA 0.127 4.496 4.740 -0.620 0.000 0.212 5 N C -0.692 174.547 175.510 -0.452 0.000 1.184 5 N CA 0.223 53.136 53.050 -0.228 0.000 0.888 5 N CB 0.712 38.894 38.487 -0.508 0.000 1.038 5 N HN 0.321 nan 8.380 nan 0.000 0.517 6 Y N -0.866 119.456 120.300 0.036 0.000 2.634 6 Y HA 0.595 4.773 4.550 -0.620 0.000 0.340 6 Y C -0.055 175.567 175.900 -0.464 0.000 1.058 6 Y CA -0.974 57.050 58.100 -0.126 0.000 1.081 6 Y CB 1.558 40.023 38.460 0.009 0.000 1.295 6 Y HN -0.416 nan 8.280 nan 0.000 0.487 7 V N 2.727 122.520 119.914 -0.202 0.000 2.638 7 V HA 0.420 4.169 4.120 -0.620 0.000 0.306 7 V C -0.732 175.385 176.094 0.039 0.000 1.052 7 V CA -0.892 61.275 62.300 -0.223 0.000 0.885 7 V CB 2.003 33.611 31.823 -0.358 0.000 0.999 7 V HN 0.787 nan 8.190 nan 0.000 0.424 8 M N 4.128 123.743 119.600 0.024 0.000 2.404 8 M HA 0.838 4.946 4.480 -0.620 0.000 0.338 8 M C -0.495 175.844 176.300 0.066 0.000 1.150 8 M CA -0.500 54.808 55.300 0.013 0.000 1.016 8 M CB 1.675 34.260 32.600 -0.025 0.000 1.672 8 M HN 0.766 nan 8.290 nan 0.000 0.448 9 A N 5.821 128.686 122.820 0.075 0.000 2.343 9 A HA 0.767 4.715 4.320 -0.620 0.000 0.316 9 A C -1.217 176.396 177.584 0.049 0.000 1.104 9 A CA -0.718 51.388 52.037 0.115 0.000 0.768 9 A CB 0.857 20.017 19.000 0.268 0.000 1.213 9 A HN 0.895 nan 8.150 nan 0.000 0.456 10 I N 2.200 122.801 120.570 0.051 0.000 2.382 10 I HA 0.273 4.071 4.170 -0.620 0.000 0.286 10 I C -0.985 175.170 176.117 0.063 0.000 1.002 10 I CA -0.384 60.943 61.300 0.044 0.000 1.135 10 I CB 1.889 39.920 38.000 0.052 0.000 1.288 10 I HN 0.628 nan 8.210 nan 0.000 0.448 11 D N 6.628 127.071 120.400 0.071 0.000 2.472 11 D HA 0.079 4.347 4.640 -0.620 0.000 0.234 11 D C -0.465 175.905 176.300 0.116 0.000 1.088 11 D CA -0.375 53.679 54.000 0.091 0.000 0.882 11 D CB 1.024 41.880 40.800 0.094 0.000 1.037 11 D HN 0.247 nan 8.370 nan 0.000 0.520 12 Q N 3.078 122.956 119.800 0.130 0.000 2.361 12 Q HA 0.444 4.412 4.340 -0.620 0.000 0.250 12 Q C -0.027 176.114 176.000 0.235 0.000 1.023 12 Q CA -0.437 55.469 55.803 0.173 0.000 0.915 12 Q CB 1.005 29.833 28.738 0.150 0.000 1.238 12 Q HN 0.639 nan 8.270 nan 0.000 0.451 13 G N 2.097 111.077 108.800 0.299 0.000 2.532 13 G HA2 0.233 3.821 3.960 -0.620 0.000 0.291 13 G HA3 0.233 3.821 3.960 -0.620 0.000 0.291 13 G C 0.600 175.803 174.900 0.505 0.000 1.349 13 G CA -0.125 45.181 45.100 0.342 0.000 1.038 13 G HN 0.576 nan 8.290 nan 0.000 0.518 14 T N -0.560 114.291 114.554 0.495 0.000 2.896 14 T HA -0.045 3.933 4.350 -0.620 0.000 0.263 14 T C 2.276 177.158 174.700 0.303 0.000 1.050 14 T CA 1.957 64.421 62.100 0.608 0.000 1.140 14 T CB -0.163 69.107 68.868 0.670 0.000 0.877 14 T HN 0.701 nan 8.240 nan 0.000 0.457 15 T N -1.182 113.383 114.554 0.017 0.000 3.043 15 T HA 0.409 4.388 4.350 -0.620 0.000 0.272 15 T C 0.409 174.766 174.700 -0.572 0.000 0.990 15 T CA 0.114 61.956 62.100 -0.428 0.000 0.897 15 T CB 0.225 69.007 68.868 -0.144 0.000 1.111 15 T HN 0.373 nan 8.240 nan 0.000 0.529 16 S N -0.259 115.366 115.700 -0.125 0.000 2.595 16 S HA 0.693 4.791 4.470 -0.620 0.000 0.270 16 S C -1.440 173.338 174.600 0.298 0.000 1.145 16 S CA -0.765 57.489 58.200 0.090 0.000 0.825 16 S CB 1.571 64.791 63.200 0.032 0.000 1.107 16 S HN 0.165 nan 8.310 nan 0.000 0.461 17 S N 0.434 116.286 115.700 0.254 0.000 2.536 17 S HA 0.822 4.921 4.470 -0.620 0.000 0.298 17 S C -0.720 173.938 174.600 0.097 0.000 1.083 17 S CA -0.865 57.445 58.200 0.183 0.000 0.995 17 S CB 1.594 64.887 63.200 0.155 0.000 1.058 17 S HN 0.822 nan 8.310 nan 0.000 0.488 18 R N 0.868 121.411 120.500 0.072 0.000 2.673 18 R HA 0.742 4.711 4.340 -0.620 0.000 0.281 18 R C -1.815 174.485 176.300 -0.001 0.000 0.991 18 R CA -0.619 55.498 56.100 0.028 0.000 0.896 18 R CB 1.428 31.753 30.300 0.040 0.000 1.201 18 R HN 0.737 nan 8.270 nan 0.000 0.457 19 A N 5.535 128.321 122.820 -0.057 0.000 2.343 19 A HA 0.663 4.611 4.320 -0.620 0.000 0.308 19 A C -1.014 176.467 177.584 -0.171 0.000 1.092 19 A CA -0.737 51.238 52.037 -0.104 0.000 0.751 19 A CB 0.897 19.807 19.000 -0.150 0.000 1.203 19 A HN 0.659 nan 8.150 nan 0.000 0.452 20 I N 2.476 122.920 120.570 -0.210 0.000 2.582 20 I HA 0.419 4.217 4.170 -0.620 0.000 0.292 20 I C -0.902 174.909 176.117 -0.511 0.000 1.066 20 I CA -0.518 60.543 61.300 -0.399 0.000 1.053 20 I CB 2.257 39.941 38.000 -0.527 0.000 1.241 20 I HN 0.516 nan 8.210 nan 0.000 0.421 21 I N 5.368 125.616 120.570 -0.536 0.000 2.339 21 I HA 0.355 4.153 4.170 -0.620 0.000 0.290 21 I C -0.925 174.960 176.117 -0.387 0.000 0.994 21 I CA -0.303 60.773 61.300 -0.374 0.000 1.191 21 I CB 0.888 38.704 38.000 -0.308 0.000 1.343 21 I HN 0.279 nan 8.210 nan 0.000 0.458 22 F N 3.898 123.917 119.950 0.116 0.000 2.458 22 F HA 0.342 4.499 4.527 -0.616 0.000 0.330 22 F C 0.486 176.499 175.800 0.354 0.000 1.082 22 F CA -0.818 57.318 58.000 0.228 0.000 0.995 22 F CB 1.087 40.251 39.000 0.273 0.000 1.170 22 F HN 0.474 nan 8.300 nan 0.000 0.478 23 D N 0.170 120.939 120.400 0.615 0.000 2.506 23 D HA 0.273 4.541 4.640 -0.620 0.000 0.272 23 D C 1.129 177.773 176.300 0.574 0.000 1.214 23 D CA -0.656 53.669 54.000 0.540 0.000 1.067 23 D CB 0.508 41.564 40.800 0.427 0.000 1.117 23 D HN 0.355 nan 8.370 nan 0.000 0.578 24 R N -0.808 119.915 120.500 0.371 0.000 2.200 24 R HA -0.040 3.928 4.340 -0.620 0.000 0.234 24 R C 0.781 177.331 176.300 0.418 0.000 1.127 24 R CA 1.225 57.407 56.100 0.137 0.000 0.989 24 R CB -0.367 29.809 30.300 -0.205 0.000 0.869 24 R HN 0.388 nan 8.270 nan 0.000 0.459 25 N N -0.965 117.969 118.700 0.391 0.000 2.280 25 N HA 0.096 4.465 4.740 -0.620 0.000 0.192 25 N C 0.251 175.985 175.510 0.372 0.000 1.109 25 N CA 0.938 54.192 53.050 0.339 0.000 0.855 25 N CB 1.161 39.777 38.487 0.215 0.000 0.974 25 N HN 0.383 nan 8.380 nan 0.000 0.482 26 G N 1.523 110.636 108.800 0.522 0.000 2.137 26 G HA2 -0.271 3.318 3.960 -0.620 0.000 0.237 26 G HA3 -0.271 3.318 3.960 -0.620 0.000 0.237 26 G C 0.037 175.189 174.900 0.420 0.000 1.002 26 G CA 0.104 45.452 45.100 0.414 0.000 0.702 26 G HN 0.381 nan 8.290 nan 0.000 0.515 27 K N 0.666 121.329 120.400 0.440 0.000 2.183 27 K HA 0.445 4.393 4.320 -0.620 0.000 0.274 27 K C 0.557 177.376 176.600 0.365 0.000 1.009 27 K CA -0.799 55.697 56.287 0.348 0.000 0.888 27 K CB 0.560 33.207 32.500 0.244 0.000 1.078 27 K HN 0.140 nan 8.250 nan 0.000 0.459 28 K N 6.019 126.568 120.400 0.249 0.000 2.402 28 K HA 0.031 3.979 4.320 -0.620 0.000 0.285 28 K C 0.592 177.192 176.600 -0.000 0.000 1.054 28 K CA -0.273 56.026 56.287 0.019 0.000 1.001 28 K CB 0.418 32.912 32.500 -0.010 0.000 0.946 28 K HN 0.587 nan 8.250 nan 0.000 0.473 29 I N 2.816 123.350 120.570 -0.060 0.000 3.228 29 I HA 0.146 3.944 4.170 -0.620 0.000 0.279 29 I C 1.050 177.097 176.117 -0.117 0.000 1.221 29 I CA 0.547 61.813 61.300 -0.055 0.000 1.458 29 I CB -0.268 37.679 38.000 -0.088 0.000 1.105 29 I HN 0.823 nan 8.210 nan 0.000 0.445 30 G N 0.173 108.870 108.800 -0.173 0.000 2.411 30 G HA2 0.474 4.063 3.960 -0.620 0.000 0.295 30 G HA3 0.474 4.063 3.960 -0.620 0.000 0.295 30 G C -1.229 173.545 174.900 -0.210 0.000 1.542 30 G CA 0.091 45.093 45.100 -0.163 0.000 0.814 30 G HN 0.168 nan 8.290 nan 0.000 0.557 31 S N -1.413 114.189 115.700 -0.162 0.000 2.595 31 S HA 0.882 4.980 4.470 -0.620 0.000 0.270 31 S C -1.051 173.482 174.600 -0.111 0.000 1.145 31 S CA -0.107 57.996 58.200 -0.162 0.000 0.825 31 S CB 1.671 64.783 63.200 -0.146 0.000 1.107 31 S HN 1.961 nan 8.310 nan 0.000 0.461 32 S N 0.031 115.672 115.700 -0.099 0.000 2.541 32 S HA 0.685 4.783 4.470 -0.620 0.000 0.271 32 S C -1.947 172.629 174.600 -0.040 0.000 1.133 32 S CA -0.425 57.735 58.200 -0.066 0.000 0.876 32 S CB 1.866 65.019 63.200 -0.079 0.000 1.105 32 S HN 0.921 nan 8.310 nan 0.000 0.470 33 Q N 2.374 122.165 119.800 -0.016 0.000 2.345 33 Q HA 0.603 4.571 4.340 -0.620 0.000 0.275 33 Q C -1.912 174.099 176.000 0.019 0.000 1.063 33 Q CA -0.679 55.130 55.803 0.010 0.000 0.819 33 Q CB 1.673 30.423 28.738 0.019 0.000 1.356 33 Q HN 0.645 nan 8.270 nan 0.000 0.418 34 K N 2.681 123.107 120.400 0.043 0.000 2.553 34 K HA 0.297 4.245 4.320 -0.620 0.000 0.250 34 K C -1.204 175.445 176.600 0.082 0.000 0.953 34 K CA -0.409 55.907 56.287 0.048 0.000 0.800 34 K CB 1.791 34.317 32.500 0.042 0.000 1.243 34 K HN 0.672 nan 8.250 nan 0.000 0.435 35 E N 2.507 122.725 120.200 0.029 0.000 2.371 35 E HA 0.255 4.233 4.350 -0.620 0.000 0.257 35 E C -0.585 176.030 176.600 0.026 0.000 1.134 35 E CA -0.310 56.060 56.400 -0.050 0.000 0.919 35 E CB 0.579 30.216 29.700 -0.106 0.000 1.025 35 E HN 0.376 nan 8.360 nan 0.000 0.438 36 F N -1.898 118.020 119.950 -0.052 0.000 2.599 36 F HA 0.548 4.703 4.527 -0.620 0.000 0.311 36 F C -2.842 172.873 175.800 -0.141 0.000 1.076 36 F CA -3.410 54.544 58.000 -0.077 0.000 0.937 36 F CB 0.011 38.967 39.000 -0.074 0.000 1.282 36 F HN 0.132 nan 8.300 nan 0.000 0.460 37 P HA 0.058 nan 4.420 nan 0.000 0.263 37 P C -1.122 175.955 177.300 -0.372 0.000 1.175 37 P CA 0.240 63.208 63.100 -0.220 0.000 0.761 37 P CB 0.437 32.020 31.700 -0.195 0.000 0.794 38 Q N 2.391 121.862 119.800 -0.550 0.000 2.331 38 Q HA 0.357 4.325 4.340 -0.620 0.000 0.267 38 Q C -0.924 174.526 176.000 -0.917 0.000 1.006 38 Q CA -0.438 55.042 55.803 -0.537 0.000 0.818 38 Q CB 1.482 29.989 28.738 -0.384 0.000 1.276 38 Q HN 0.450 nan 8.270 nan 0.000 0.450 39 Y N 1.213 121.240 120.300 -0.455 0.000 2.360 39 Y HA 0.455 4.633 4.550 -0.620 0.000 0.337 39 Y C -0.182 175.348 175.900 -0.617 0.000 1.039 39 Y CA -0.844 57.021 58.100 -0.392 0.000 1.109 39 Y CB 1.118 39.521 38.460 -0.094 0.000 1.201 39 Y HN 0.416 nan 8.280 nan 0.000 0.458 40 F N 3.296 123.376 119.950 0.217 0.000 2.531 40 F HA 0.388 4.543 4.527 -0.620 0.000 0.333 40 F C -1.877 174.010 175.800 0.145 0.000 1.292 40 F CA -2.220 55.874 58.000 0.158 0.000 1.184 40 F CB 0.664 39.713 39.000 0.081 0.000 1.426 40 F HN 0.381 nan 8.300 nan 0.000 0.559 41 P HA -0.142 nan 4.420 nan 0.000 0.216 41 P C -0.314 176.954 177.300 -0.053 0.000 1.153 41 P CA 1.667 64.867 63.100 0.166 0.000 0.858 41 P CB 0.291 32.177 31.700 0.310 0.000 0.789 42 K N -2.295 118.025 120.400 -0.133 0.000 2.536 42 K HA 0.355 4.304 4.320 -0.620 0.000 0.269 42 K C -0.612 175.910 176.600 -0.130 0.000 0.965 42 K CA -0.818 55.249 56.287 -0.366 0.000 0.860 42 K CB 1.838 33.709 32.500 -1.047 0.000 1.423 42 K HN -0.354 nan 8.250 nan 0.000 0.438 43 S N 0.194 115.830 115.700 -0.107 0.000 2.626 43 S HA 0.145 4.244 4.470 -0.620 0.000 0.303 43 S C 1.258 175.905 174.600 0.077 0.000 1.256 43 S CA 1.991 60.180 58.200 -0.018 0.000 1.069 43 S CB -0.491 62.688 63.200 -0.034 0.000 0.807 43 S HN 0.877 nan 8.310 nan 0.000 0.500 44 G N 4.172 113.043 108.800 0.119 0.000 2.234 44 G HA2 -0.257 3.331 3.960 -0.620 0.000 0.260 44 G HA3 -0.257 3.331 3.960 -0.620 0.000 0.260 44 G C -0.164 174.915 174.900 0.300 0.000 0.987 44 G CA 0.245 45.450 45.100 0.175 0.000 0.625 44 G HN 0.627 nan 8.290 nan 0.000 0.532 45 W N 0.238 121.546 121.300 0.013 0.000 2.351 45 W HA 0.659 4.949 4.660 -0.618 0.000 0.311 45 W C -0.019 176.527 176.519 0.045 0.000 1.168 45 W CA -0.889 56.443 57.345 -0.022 0.000 1.200 45 W CB 1.563 31.010 29.460 -0.021 0.000 1.221 45 W HN 0.185 nan 8.180 nan 0.000 0.519 46 V N 4.107 124.063 119.914 0.071 0.000 2.524 46 V HA 0.369 4.117 4.120 -0.620 0.000 0.297 46 V C -0.352 175.631 176.094 -0.185 0.000 1.035 46 V CA -1.130 61.148 62.300 -0.036 0.000 0.867 46 V CB 1.420 33.190 31.823 -0.088 0.000 1.004 46 V HN 0.482 nan 8.190 nan 0.000 0.426 47 E N 2.723 122.847 120.200 -0.126 0.000 2.392 47 E HA 0.662 4.640 4.350 -0.620 0.000 0.269 47 E C -1.373 175.342 176.600 0.191 0.000 0.924 47 E CA -0.971 55.387 56.400 -0.070 0.000 0.784 47 E CB 3.024 32.717 29.700 -0.013 0.000 1.292 47 E HN 0.764 nan 8.360 nan 0.000 0.447 48 H N 0.257 119.394 119.070 0.111 0.000 2.821 48 H HA 0.263 4.446 4.556 -0.620 0.000 0.373 48 H C -0.755 174.647 175.328 0.123 0.000 1.165 48 H CA -1.068 55.108 56.048 0.212 0.000 1.154 48 H CB 1.917 31.786 29.762 0.178 0.000 1.765 48 H HN 0.256 nan 8.280 nan 0.000 0.549 49 N N 1.619 120.503 118.700 0.306 0.000 2.500 49 N HA 0.081 4.449 4.740 -0.620 0.000 0.236 49 N C 0.716 176.262 175.510 0.059 0.000 1.022 49 N CA 0.008 53.134 53.050 0.127 0.000 0.935 49 N CB 1.238 39.824 38.487 0.166 0.000 1.147 49 N HN 0.792 nan 8.380 nan 0.000 0.512 50 A N 4.354 127.139 122.820 -0.058 0.000 1.997 50 A HA -0.237 3.711 4.320 -0.620 0.000 0.221 50 A C 1.830 179.534 177.584 0.199 0.000 1.172 50 A CA 1.452 53.393 52.037 -0.159 0.000 0.645 50 A CB -0.209 18.334 19.000 -0.762 0.000 0.813 50 A HN 0.705 nan 8.150 nan 0.000 0.454 51 N N -0.289 118.531 118.700 0.200 0.000 2.207 51 N HA -0.083 4.285 4.740 -0.620 0.000 0.182 51 N C 1.627 177.299 175.510 0.270 0.000 1.020 51 N CA 1.384 54.636 53.050 0.337 0.000 0.858 51 N CB -0.400 38.236 38.487 0.248 0.000 0.991 51 N HN 0.674 nan 8.380 nan 0.000 0.427 52 E N 0.686 120.986 120.200 0.166 0.000 2.110 52 E HA -0.078 3.900 4.350 -0.620 0.000 0.193 52 E C 1.944 178.550 176.600 0.010 0.000 0.988 52 E CA 0.539 57.010 56.400 0.118 0.000 0.804 52 E CB -0.025 29.773 29.700 0.163 0.000 0.745 52 E HN 0.366 nan 8.360 nan 0.000 0.458 53 I N 0.782 121.296 120.570 -0.093 0.000 2.142 53 I HA -0.264 3.534 4.170 -0.620 0.000 0.240 53 I C 2.486 178.617 176.117 0.024 0.000 1.078 53 I CA 1.164 62.275 61.300 -0.315 0.000 1.343 53 I CB -0.439 37.401 38.000 -0.267 0.000 1.046 53 I HN 0.394 nan 8.210 nan 0.000 0.405 54 W N 2.478 123.799 121.300 0.034 0.000 2.338 54 W HA -0.285 4.003 4.660 -0.620 0.000 0.304 54 W C 2.038 178.542 176.519 -0.026 0.000 1.212 54 W CA 1.515 58.858 57.345 -0.005 0.000 1.264 54 W CB -0.260 29.200 29.460 0.001 0.000 1.142 54 W HN 0.194 nan 8.180 nan 0.000 0.512 55 N N 0.578 119.228 118.700 -0.083 0.000 2.244 55 N HA -0.184 4.184 4.740 -0.620 0.000 0.183 55 N C 2.007 177.409 175.510 -0.180 0.000 1.016 55 N CA 2.281 55.202 53.050 -0.215 0.000 0.866 55 N CB -0.748 37.716 38.487 -0.038 0.000 0.980 55 N HN 0.201 nan 8.380 nan 0.000 0.430 56 S N -0.901 114.746 115.700 -0.089 0.000 2.461 56 S HA 0.023 4.121 4.470 -0.620 0.000 0.228 56 S C 1.901 176.455 174.600 -0.077 0.000 1.005 56 S CA 0.420 58.604 58.200 -0.027 0.000 0.942 56 S CB -0.341 62.919 63.200 0.100 0.000 0.776 56 S HN 0.015 nan 8.310 nan 0.000 0.514 57 V N 1.984 121.809 119.914 -0.148 0.000 2.407 57 V HA -0.113 3.636 4.120 -0.620 0.000 0.245 57 V C 2.834 178.744 176.094 -0.305 0.000 1.041 57 V CA 1.744 63.949 62.300 -0.159 0.000 1.040 57 V CB -0.876 30.908 31.823 -0.066 0.000 0.671 57 V HN 0.512 nan 8.190 nan 0.000 0.455 58 Q N -0.068 119.396 119.800 -0.560 0.000 2.096 58 Q HA -0.193 3.775 4.340 -0.620 0.000 0.204 58 Q C 2.512 178.347 176.000 -0.274 0.000 0.982 58 Q CA 2.007 57.486 55.803 -0.541 0.000 0.850 58 Q CB -0.333 28.008 28.738 -0.662 0.000 0.901 58 Q HN 0.551 nan 8.270 nan 0.000 0.422 59 S N 0.657 116.235 115.700 -0.203 0.000 2.353 59 S HA -0.149 3.949 4.470 -0.620 0.000 0.222 59 S C 2.247 176.787 174.600 -0.099 0.000 1.035 59 S CA 1.605 59.739 58.200 -0.110 0.000 1.025 59 S CB -0.399 62.761 63.200 -0.067 0.000 0.902 59 S HN 0.475 nan 8.310 nan 0.000 0.440 60 V N 0.377 120.230 119.914 -0.102 0.000 2.515 60 V HA -0.062 3.686 4.120 -0.620 0.000 0.250 60 V C 1.951 177.952 176.094 -0.156 0.000 1.058 60 V CA 1.030 63.270 62.300 -0.098 0.000 1.064 60 V CB -0.880 30.904 31.823 -0.064 0.000 0.675 60 V HN 0.307 nan 8.190 nan 0.000 0.461 61 I N 1.710 122.173 120.570 -0.179 0.000 2.127 61 I HA -0.197 3.602 4.170 -0.620 0.000 0.241 61 I C 2.982 178.946 176.117 -0.256 0.000 1.075 61 I CA 2.168 63.313 61.300 -0.258 0.000 1.334 61 I CB -1.744 36.122 38.000 -0.223 0.000 1.040 61 I HN 0.419 nan 8.210 nan 0.000 0.405 62 A N 1.025 123.779 122.820 -0.110 0.000 1.851 62 A HA -0.136 3.812 4.320 -0.620 0.000 0.216 62 A C 2.532 180.117 177.584 0.001 0.000 1.195 62 A CA 2.133 54.184 52.037 0.022 0.000 0.622 62 A CB -1.539 17.471 19.000 0.016 0.000 0.831 62 A HN 0.434 nan 8.150 nan 0.000 0.444 63 G N -0.512 108.258 108.800 -0.049 0.000 2.503 63 G HA2 -0.111 3.477 3.960 -0.620 0.000 0.221 63 G HA3 -0.111 3.477 3.960 -0.620 0.000 0.221 63 G C 1.727 176.578 174.900 -0.082 0.000 1.131 63 G CA 1.871 46.941 45.100 -0.050 0.000 0.756 63 G HN 0.905 nan 8.290 nan 0.000 0.572 64 A N 0.271 122.990 122.820 -0.169 0.000 1.877 64 A HA 0.142 4.090 4.320 -0.620 0.000 0.216 64 A C 2.172 179.629 177.584 -0.212 0.000 1.186 64 A CA 1.512 53.399 52.037 -0.250 0.000 0.620 64 A CB -0.513 18.247 19.000 -0.401 0.000 0.822 64 A HN 0.257 nan 8.150 nan 0.000 0.443 65 F N 0.471 120.339 119.950 -0.136 0.000 2.075 65 F HA -0.159 3.997 4.527 -0.619 0.000 0.297 65 F C 2.271 178.014 175.800 -0.095 0.000 1.113 65 F CA 0.759 58.681 58.000 -0.130 0.000 1.218 65 F CB -0.617 38.302 39.000 -0.135 0.000 0.984 65 F HN 0.096 nan 8.300 nan 0.000 0.472 66 I N 0.735 121.384 120.570 0.132 0.000 2.044 66 I HA -0.327 3.472 4.170 -0.620 0.000 0.234 66 I C 2.472 178.599 176.117 0.017 0.000 1.031 66 I CA 2.225 63.558 61.300 0.056 0.000 1.305 66 I CB -1.837 36.181 38.000 0.030 0.000 1.026 66 I HN 0.273 nan 8.210 nan 0.000 0.392 67 E N 1.435 121.630 120.200 -0.008 0.000 2.331 67 E HA -0.178 3.800 4.350 -0.620 0.000 0.199 67 E C 1.818 178.397 176.600 -0.034 0.000 1.008 67 E CA 1.579 57.965 56.400 -0.023 0.000 0.843 67 E CB -0.317 29.363 29.700 -0.033 0.000 0.761 67 E HN 0.554 nan 8.360 nan 0.000 0.507 68 S N -0.472 115.202 115.700 -0.044 0.000 2.517 68 S HA 0.217 4.315 4.470 -0.620 0.000 0.214 68 S C 1.620 176.186 174.600 -0.056 0.000 0.991 68 S CA 0.086 58.240 58.200 -0.075 0.000 0.906 68 S CB -0.068 63.050 63.200 -0.136 0.000 0.789 68 S HN 0.660 nan 8.310 nan 0.000 0.513 69 G N 1.881 110.673 108.800 -0.013 0.000 2.356 69 G HA2 -0.183 3.405 3.960 -0.620 0.000 0.296 69 G HA3 -0.183 3.405 3.960 -0.620 0.000 0.296 69 G C -0.136 174.758 174.900 -0.009 0.000 1.022 69 G CA 0.541 45.639 45.100 -0.003 0.000 0.961 69 G HN 0.514 nan 8.290 nan 0.000 0.510 70 I N -0.808 119.771 120.570 0.015 0.000 2.693 70 I HA 0.527 4.325 4.170 -0.620 0.000 0.303 70 I C 0.668 176.796 176.117 0.019 0.000 1.025 70 I CA -0.993 60.312 61.300 0.009 0.000 1.086 70 I CB 1.867 39.816 38.000 -0.085 0.000 1.268 70 I HN 0.108 nan 8.210 nan 0.000 0.440 71 R N 4.437 124.924 120.500 -0.021 0.000 2.474 71 R HA 0.334 4.302 4.340 -0.620 0.000 0.295 71 R C -1.773 174.404 176.300 -0.206 0.000 0.980 71 R CA -1.458 54.557 56.100 -0.142 0.000 0.934 71 R CB 1.188 31.471 30.300 -0.029 0.000 1.101 71 R HN 0.254 nan 8.270 nan 0.000 0.469 72 P HA -0.254 nan 4.420 nan 0.000 0.217 72 P C 0.548 177.853 177.300 0.009 0.000 1.148 72 P CA 1.445 64.331 63.100 -0.357 0.000 0.834 72 P CB 0.178 31.480 31.700 -0.664 0.000 0.783 73 E N -0.431 119.777 120.200 0.013 0.000 2.333 73 E HA -0.126 3.852 4.350 -0.620 0.000 0.198 73 E C 1.643 178.302 176.600 0.099 0.000 1.007 73 E CA 1.127 57.567 56.400 0.067 0.000 0.845 73 E CB -0.792 28.945 29.700 0.061 0.000 0.766 73 E HN 0.177 nan 8.360 nan 0.000 0.507 74 A N 1.252 124.155 122.820 0.138 0.000 2.251 74 A HA 0.131 4.079 4.320 -0.620 0.000 0.209 74 A C 0.750 178.480 177.584 0.244 0.000 1.187 74 A CA -0.145 52.020 52.037 0.212 0.000 0.823 74 A CB 0.040 19.234 19.000 0.324 0.000 0.846 74 A HN 0.121 nan 8.150 nan 0.000 0.486 75 I N 0.896 121.592 120.570 0.209 0.000 2.363 75 I HA 0.169 3.968 4.170 -0.620 0.000 0.292 75 I C 1.583 177.728 176.117 0.046 0.000 1.075 75 I CA -0.039 61.361 61.300 0.167 0.000 1.333 75 I CB 0.108 38.263 38.000 0.257 0.000 1.415 75 I HN 0.239 nan 8.210 nan 0.000 0.502 76 A N 5.756 128.535 122.820 -0.067 0.000 1.877 76 A HA 0.234 4.182 4.320 -0.620 0.000 0.216 76 A C 1.131 178.645 177.584 -0.116 0.000 1.186 76 A CA 1.440 53.411 52.037 -0.110 0.000 0.620 76 A CB -0.310 18.528 19.000 -0.271 0.000 0.822 76 A HN 0.813 nan 8.150 nan 0.000 0.443 77 G N -2.324 106.381 108.800 -0.158 0.000 2.601 77 G HA2 0.513 4.102 3.960 -0.620 0.000 0.291 77 G HA3 0.513 4.102 3.960 -0.620 0.000 0.291 77 G C -1.313 173.527 174.900 -0.101 0.000 1.456 77 G CA -0.660 44.362 45.100 -0.129 0.000 0.804 77 G HN 0.175 nan 8.290 nan 0.000 0.499 78 I N 0.393 120.900 120.570 -0.105 0.000 2.493 78 I HA 0.622 4.420 4.170 -0.620 0.000 0.298 78 I C 0.607 176.713 176.117 -0.018 0.000 0.998 78 I CA -0.834 60.420 61.300 -0.077 0.000 1.137 78 I CB 2.379 40.271 38.000 -0.180 0.000 1.310 78 I HN 0.618 nan 8.210 nan 0.000 0.445 79 G N 6.676 115.489 108.800 0.021 0.000 2.470 79 G HA2 0.662 4.250 3.960 -0.620 0.000 0.320 79 G HA3 0.662 4.250 3.960 -0.620 0.000 0.320 79 G C -0.844 174.076 174.900 0.033 0.000 1.245 79 G CA -0.326 44.802 45.100 0.047 0.000 0.935 79 G HN 0.308 nan 8.290 nan 0.000 0.476 80 I N 1.855 122.435 120.570 0.017 0.000 2.355 80 I HA 0.425 4.223 4.170 -0.620 0.000 0.288 80 I C 0.070 176.188 176.117 0.003 0.000 0.999 80 I CA -0.393 60.909 61.300 0.003 0.000 1.163 80 I CB 1.307 39.284 38.000 -0.038 0.000 1.316 80 I HN 0.351 nan 8.210 nan 0.000 0.454 81 T N 6.906 121.476 114.554 0.027 0.000 2.907 81 T HA 0.700 4.679 4.350 -0.620 0.000 0.292 81 T C -0.700 174.030 174.700 0.050 0.000 1.043 81 T CA -0.540 61.577 62.100 0.028 0.000 1.003 81 T CB 1.647 70.536 68.868 0.036 0.000 1.084 81 T HN 0.850 nan 8.240 nan 0.000 0.483 82 N N 1.691 120.420 118.700 0.048 0.000 3.020 82 N HA 0.193 4.561 4.740 -0.620 0.000 0.248 82 N C -1.422 174.134 175.510 0.077 0.000 1.480 82 N CA -0.855 52.245 53.050 0.084 0.000 0.874 82 N CB 1.090 39.633 38.487 0.094 0.000 1.433 82 N HN 0.754 nan 8.380 nan 0.000 0.530 83 Q N 0.760 120.648 119.800 0.147 0.000 2.271 83 Q HA 0.280 4.248 4.340 -0.620 0.000 0.273 83 Q C -0.405 175.653 176.000 0.096 0.000 1.051 83 Q CA -0.102 55.790 55.803 0.149 0.000 0.901 83 Q CB 0.951 29.922 28.738 0.388 0.000 1.174 83 Q HN 0.375 nan 8.270 nan 0.000 0.385 84 R N 2.073 122.538 120.500 -0.059 0.000 2.652 84 R HA 0.057 4.025 4.340 -0.620 0.000 0.271 84 R C 0.122 176.473 176.300 0.086 0.000 1.129 84 R CA -0.171 55.915 56.100 -0.024 0.000 1.200 84 R CB 0.280 30.505 30.300 -0.124 0.000 1.146 84 R HN 0.896 nan 8.270 nan 0.000 0.581 85 E N -1.430 118.835 120.200 0.107 0.000 5.080 85 E HA -0.244 3.735 4.350 -0.620 0.000 0.168 85 E C -0.380 176.357 176.600 0.228 0.000 1.286 85 E CA 2.333 58.837 56.400 0.175 0.000 2.223 85 E CB -1.598 28.177 29.700 0.125 0.000 1.857 85 E HN 0.711 nan 8.360 nan 0.000 0.388 86 T N 2.543 117.259 114.554 0.270 0.000 2.709 86 T HA 0.085 4.063 4.350 -0.620 0.000 0.269 86 T C 0.143 174.936 174.700 0.154 0.000 1.008 86 T CA 1.137 63.359 62.100 0.203 0.000 1.194 86 T CB 0.161 69.168 68.868 0.231 0.000 0.986 86 T HN 0.145 nan 8.240 nan 0.000 0.508 87 T N 3.910 118.544 114.554 0.134 0.000 2.875 87 T HA 0.548 4.526 4.350 -0.620 0.000 0.284 87 T C -0.071 174.676 174.700 0.079 0.000 0.995 87 T CA -0.606 61.607 62.100 0.188 0.000 1.060 87 T CB 1.048 70.081 68.868 0.276 0.000 0.967 87 T HN 0.370 nan 8.240 nan 0.000 0.476 88 V N 3.355 123.305 119.914 0.060 0.000 2.577 88 V HA 0.524 4.272 4.120 -0.620 0.000 0.303 88 V C -0.600 175.544 176.094 0.085 0.000 1.042 88 V CA -0.827 61.460 62.300 -0.021 0.000 0.872 88 V CB 2.016 33.703 31.823 -0.227 0.000 0.998 88 V HN 0.669 nan 8.190 nan 0.000 0.423 89 V N 4.726 124.666 119.914 0.044 0.000 2.444 89 V HA 0.671 4.419 4.120 -0.620 0.000 0.294 89 V C -0.763 175.322 176.094 -0.014 0.000 1.022 89 V CA -0.450 61.827 62.300 -0.039 0.000 0.850 89 V CB 1.556 33.365 31.823 -0.024 0.000 0.992 89 V HN 1.044 nan 8.190 nan 0.000 0.426 90 W N 2.836 123.993 121.300 -0.239 0.000 3.029 90 W HA 0.746 5.032 4.660 -0.622 0.000 0.339 90 W C -1.003 175.397 176.519 -0.199 0.000 1.198 90 W CA -1.255 55.949 57.345 -0.234 0.000 1.148 90 W CB 0.943 30.222 29.460 -0.301 0.000 1.451 90 W HN 0.525 nan 8.180 nan 0.000 0.564 91 D N 2.050 122.493 120.400 0.072 0.000 2.339 91 D HA 0.048 4.316 4.640 -0.620 0.000 0.256 91 D C 1.330 177.703 176.300 0.122 0.000 1.214 91 D CA 0.120 54.133 54.000 0.023 0.000 0.877 91 D CB 1.508 42.359 40.800 0.085 0.000 1.111 91 D HN 0.589 nan 8.370 nan 0.000 0.478 92 K N 2.087 122.472 120.400 -0.025 0.000 2.218 92 K HA -0.188 3.760 4.320 -0.620 0.000 0.205 92 K C 1.100 177.896 176.600 0.325 0.000 1.046 92 K CA 1.559 57.927 56.287 0.135 0.000 0.933 92 K CB 0.193 32.705 32.500 0.019 0.000 0.728 92 K HN 0.453 nan 8.250 nan 0.000 0.454 93 T N -0.778 113.905 114.554 0.215 0.000 2.901 93 T HA -0.065 3.913 4.350 -0.620 0.000 0.252 93 T C 1.729 176.562 174.700 0.221 0.000 1.035 93 T CA 1.510 63.726 62.100 0.193 0.000 1.142 93 T CB 0.014 68.951 68.868 0.114 0.000 0.869 93 T HN 0.527 nan 8.240 nan 0.000 0.442 94 T N -1.184 113.506 114.554 0.226 0.000 3.065 94 T HA 0.370 4.349 4.350 -0.620 0.000 0.252 94 T C 1.828 176.712 174.700 0.306 0.000 1.099 94 T CA 0.805 63.033 62.100 0.214 0.000 1.063 94 T CB -0.105 68.856 68.868 0.157 0.000 0.948 94 T HN 0.482 nan 8.240 nan 0.000 0.506 95 G N 1.354 110.439 108.800 0.475 0.000 2.168 95 G HA2 -0.224 3.364 3.960 -0.620 0.000 0.257 95 G HA3 -0.224 3.364 3.960 -0.620 0.000 0.257 95 G C -0.116 175.013 174.900 0.383 0.000 0.997 95 G CA -0.009 45.449 45.100 0.597 0.000 0.708 95 G HN 0.612 nan 8.290 nan 0.000 0.520 96 Q N 0.192 120.171 119.800 0.298 0.000 2.257 96 Q HA 0.402 4.370 4.340 -0.620 0.000 0.255 96 Q C -2.340 173.763 176.000 0.171 0.000 0.920 96 Q CA -1.851 54.076 55.803 0.207 0.000 0.927 96 Q CB 1.603 30.430 28.738 0.149 0.000 1.229 96 Q HN 0.206 nan 8.270 nan 0.000 0.433 97 P HA 0.019 nan 4.420 nan 0.000 0.269 97 P C 0.965 178.278 177.300 0.022 0.000 1.209 97 P CA -0.232 62.865 63.100 -0.005 0.000 0.776 97 P CB 0.514 32.115 31.700 -0.164 0.000 0.876 98 I N -0.102 120.477 120.570 0.016 0.000 3.111 98 I HA 0.265 4.064 4.170 -0.620 0.000 0.272 98 I C 0.342 176.470 176.117 0.020 0.000 1.268 98 I CA 0.688 61.998 61.300 0.016 0.000 1.467 98 I CB -1.482 36.519 38.000 0.002 0.000 1.087 98 I HN 0.256 nan 8.210 nan 0.000 0.467 99 A N 0.474 123.300 122.820 0.010 0.000 2.515 99 A HA 0.456 4.404 4.320 -0.620 0.000 0.292 99 A C -0.892 176.681 177.584 -0.019 0.000 1.065 99 A CA -0.754 51.295 52.037 0.019 0.000 0.641 99 A CB 0.017 19.065 19.000 0.080 0.000 1.306 99 A HN 0.203 nan 8.150 nan 0.000 0.441 100 N N 0.684 119.367 118.700 -0.028 0.000 2.395 100 N HA 0.391 4.760 4.740 -0.620 0.000 0.246 100 N C 0.396 175.873 175.510 -0.054 0.000 1.246 100 N CA 0.931 53.950 53.050 -0.052 0.000 0.879 100 N CB 0.749 39.196 38.487 -0.067 0.000 1.098 100 N HN 1.022 nan 8.380 nan 0.000 0.444 101 A N 1.610 124.395 122.820 -0.058 0.000 2.407 101 A HA 0.329 4.277 4.320 -0.620 0.000 0.248 101 A C 0.144 177.666 177.584 -0.103 0.000 1.082 101 A CA -0.302 51.690 52.037 -0.074 0.000 0.785 101 A CB -0.021 18.931 19.000 -0.081 0.000 1.020 101 A HN 0.537 nan 8.150 nan 0.000 0.489 102 I N 2.570 123.060 120.570 -0.134 0.000 2.312 102 I HA 0.187 3.985 4.170 -0.620 0.000 0.291 102 I C 0.407 176.418 176.117 -0.177 0.000 1.031 102 I CA 0.346 61.507 61.300 -0.232 0.000 1.293 102 I CB 1.047 38.860 38.000 -0.312 0.000 1.403 102 I HN 0.389 nan 8.210 nan 0.000 0.484 103 V N 6.652 126.400 119.914 -0.276 0.000 3.237 103 V HA -0.049 3.699 4.120 -0.620 0.000 0.305 103 V C 1.366 177.382 176.094 -0.131 0.000 1.096 103 V CA -0.218 61.907 62.300 -0.292 0.000 1.130 103 V CB 0.564 32.031 31.823 -0.595 0.000 1.048 103 V HN 0.962 nan 8.190 nan 0.000 0.484 104 W N 0.772 122.094 121.300 0.037 0.000 2.465 104 W HA -0.103 4.189 4.660 -0.614 0.000 0.268 104 W C 1.411 178.030 176.519 0.166 0.000 1.242 104 W CA 0.754 58.195 57.345 0.161 0.000 1.248 104 W CB -0.696 28.940 29.460 0.292 0.000 1.118 104 W HN 0.662 nan 8.180 nan 0.000 0.587 105 Q N 1.434 120.753 119.800 -0.803 0.000 2.079 105 Q HA -0.105 3.864 4.340 -0.620 0.000 0.200 105 Q C 1.581 177.377 176.000 -0.340 0.000 0.974 105 Q CA 1.172 56.506 55.803 -0.782 0.000 0.840 105 Q CB -0.415 27.805 28.738 -0.863 0.000 0.898 105 Q HN 0.077 nan 8.270 nan 0.000 0.430 106 S N -0.015 115.515 115.700 -0.283 0.000 2.549 106 S HA -0.051 4.048 4.470 -0.620 0.000 0.278 106 S C 0.688 175.161 174.600 -0.212 0.000 1.344 106 S CA 0.183 58.244 58.200 -0.232 0.000 1.025 106 S CB 0.411 63.408 63.200 -0.339 0.000 0.851 106 S HN 0.211 nan 8.310 nan 0.000 0.530 107 R N 1.584 121.969 120.500 -0.192 0.000 2.600 107 R HA 0.096 4.064 4.340 -0.620 0.000 0.392 107 R C 1.611 177.798 176.300 -0.189 0.000 1.032 107 R CA 0.085 56.104 56.100 -0.135 0.000 1.139 107 R CB -0.350 29.931 30.300 -0.032 0.000 1.400 107 R HN 0.888 nan 8.270 nan 0.000 0.566 108 Q N 0.207 119.673 119.800 -0.556 0.000 2.167 108 Q HA -0.068 3.900 4.340 -0.620 0.000 0.202 108 Q C 0.977 176.697 176.000 -0.467 0.000 0.970 108 Q CA 1.965 57.227 55.803 -0.902 0.000 0.855 108 Q CB -0.134 27.174 28.738 -2.384 0.000 0.911 108 Q HN 0.108 nan 8.270 nan 0.000 0.438 109 S N -0.119 115.340 115.700 -0.402 0.000 2.671 109 S HA 0.104 4.202 4.470 -0.620 0.000 0.220 109 S C 1.618 176.247 174.600 0.049 0.000 0.951 109 S CA 0.226 58.400 58.200 -0.045 0.000 0.932 109 S CB 0.508 63.677 63.200 -0.051 0.000 0.777 109 S HN 0.348 nan 8.310 nan 0.000 0.508 110 S N 3.083 118.796 115.700 0.021 0.000 2.387 110 S HA -0.014 4.084 4.470 -0.620 0.000 0.230 110 S C -0.825 173.828 174.600 0.088 0.000 1.035 110 S CA 1.394 59.627 58.200 0.056 0.000 1.014 110 S CB -1.093 62.140 63.200 0.054 0.000 0.836 110 S HN 0.483 nan 8.310 nan 0.000 0.466 111 P HA 0.002 nan 4.420 nan 0.000 0.214 111 P C 1.307 178.662 177.300 0.091 0.000 1.162 111 P CA 0.812 63.974 63.100 0.103 0.000 0.879 111 P CB -0.080 31.693 31.700 0.122 0.000 0.786 112 I N 0.117 120.748 120.570 0.103 0.000 2.145 112 I HA -0.312 3.486 4.170 -0.620 0.000 0.244 112 I C 2.333 178.496 176.117 0.077 0.000 1.075 112 I CA 2.025 63.374 61.300 0.081 0.000 1.332 112 I CB -1.536 36.518 38.000 0.090 0.000 1.033 112 I HN -0.101 nan 8.210 nan 0.000 0.410 113 A N 0.018 122.891 122.820 0.088 0.000 1.858 113 A HA -0.235 3.714 4.320 -0.620 0.000 0.216 113 A C 2.091 179.732 177.584 0.095 0.000 1.190 113 A CA 2.091 54.186 52.037 0.097 0.000 0.617 113 A CB -0.879 18.185 19.000 0.107 0.000 0.827 113 A HN 0.421 nan 8.150 nan 0.000 0.443 114 D N -0.860 119.592 120.400 0.086 0.000 2.133 114 D HA -0.213 4.056 4.640 -0.620 0.000 0.195 114 D C 2.014 178.359 176.300 0.075 0.000 0.997 114 D CA 1.865 55.911 54.000 0.078 0.000 0.840 114 D CB -0.407 40.433 40.800 0.067 0.000 0.947 114 D HN 0.588 nan 8.370 nan 0.000 0.452 115 Q N 0.654 120.498 119.800 0.073 0.000 2.062 115 Q HA -0.151 3.818 4.340 -0.620 0.000 0.209 115 Q C 2.348 178.410 176.000 0.103 0.000 0.996 115 Q CA 1.258 57.105 55.803 0.073 0.000 0.859 115 Q CB -0.425 28.351 28.738 0.063 0.000 0.920 115 Q HN 0.320 nan 8.270 nan 0.000 0.415 116 L N -0.076 121.220 121.223 0.121 0.000 2.079 116 L HA -0.225 3.744 4.340 -0.620 0.000 0.210 116 L C 2.430 179.406 176.870 0.177 0.000 1.081 116 L CA 1.596 56.553 54.840 0.195 0.000 0.752 116 L CB -0.486 41.652 42.059 0.132 0.000 0.896 116 L HN 0.202 nan 8.230 nan 0.000 0.433 117 K N -0.306 120.162 120.400 0.115 0.000 2.057 117 K HA -0.101 3.847 4.320 -0.620 0.000 0.206 117 K C 2.006 178.635 176.600 0.047 0.000 1.050 117 K CA 1.056 57.392 56.287 0.081 0.000 0.935 117 K CB -0.170 32.375 32.500 0.075 0.000 0.715 117 K HN 0.111 nan 8.250 nan 0.000 0.439 118 V N 2.112 122.055 119.914 0.048 0.000 2.759 118 V HA -0.169 3.579 4.120 -0.620 0.000 0.256 118 V C 1.008 177.101 176.094 -0.001 0.000 1.080 118 V CA 1.577 63.891 62.300 0.024 0.000 1.101 118 V CB -0.343 31.497 31.823 0.029 0.000 0.698 118 V HN 0.267 nan 8.190 nan 0.000 0.477 119 D N 0.165 120.566 120.400 0.002 0.000 2.328 119 D HA 0.179 4.447 4.640 -0.620 0.000 0.221 119 D C 1.731 177.875 176.300 -0.261 0.000 1.072 119 D CA 0.937 54.884 54.000 -0.088 0.000 0.850 119 D CB 0.492 41.296 40.800 0.006 0.000 0.922 119 D HN 0.488 nan 8.370 nan 0.000 0.516 120 G N 1.580 110.294 108.800 -0.144 0.000 2.179 120 G HA2 -0.307 3.281 3.960 -0.620 0.000 0.257 120 G HA3 -0.307 3.281 3.960 -0.620 0.000 0.257 120 G C 0.797 175.594 174.900 -0.172 0.000 1.010 120 G CA 0.046 45.062 45.100 -0.141 0.000 0.736 120 G HN 0.424 nan 8.290 nan 0.000 0.513 121 H N 0.266 119.344 119.070 0.013 0.000 2.547 121 H HA 0.037 4.221 4.556 -0.620 0.000 0.272 121 H C 1.959 177.299 175.328 0.019 0.000 0.989 121 H CA 1.313 57.369 56.048 0.014 0.000 1.214 121 H CB 0.088 29.860 29.762 0.016 0.000 1.389 121 H HN 0.468 nan 8.280 nan 0.000 0.577 122 T N 0.066 114.685 114.554 0.108 0.000 2.616 122 T HA -0.068 3.910 4.350 -0.620 0.000 0.327 122 T C 1.339 176.075 174.700 0.061 0.000 1.049 122 T CA 0.733 62.880 62.100 0.079 0.000 1.022 122 T CB 1.278 70.173 68.868 0.044 0.000 1.009 122 T HN 0.502 nan 8.240 nan 0.000 0.535 123 E N -1.087 119.150 120.200 0.062 0.000 5.003 123 E HA -0.323 3.655 4.350 -0.620 0.000 0.166 123 E C 1.420 178.061 176.600 0.067 0.000 1.244 123 E CA 1.646 58.078 56.400 0.053 0.000 2.281 123 E CB -0.989 28.716 29.700 0.009 0.000 1.825 123 E HN 0.705 nan 8.360 nan 0.000 0.420 124 M N 0.842 120.478 119.600 0.060 0.000 2.064 124 M HA -0.077 4.032 4.480 -0.620 0.000 0.260 124 M C 2.359 178.683 176.300 0.040 0.000 1.073 124 M CA 2.182 57.512 55.300 0.050 0.000 1.124 124 M CB -0.177 32.480 32.600 0.095 0.000 1.326 124 M HN 0.380 nan 8.290 nan 0.000 0.410 125 I N -0.201 120.407 120.570 0.063 0.000 2.286 125 I HA -0.328 3.470 4.170 -0.620 0.000 0.248 125 I C 2.516 178.637 176.117 0.008 0.000 1.115 125 I CA 1.686 63.005 61.300 0.031 0.000 1.392 125 I CB -0.776 37.252 38.000 0.047 0.000 1.065 125 I HN 0.513 nan 8.210 nan 0.000 0.418 126 H N 1.325 120.377 119.070 -0.030 0.000 2.293 126 H HA -0.195 3.992 4.556 -0.616 0.000 0.300 126 H C 2.082 177.385 175.328 -0.043 0.000 1.082 126 H CA 2.070 58.092 56.048 -0.043 0.000 1.308 126 H CB -0.033 29.702 29.762 -0.045 0.000 1.375 126 H HN 0.264 nan 8.280 nan 0.000 0.495 127 E N -0.046 120.107 120.200 -0.078 0.000 2.209 127 E HA -0.167 3.811 4.350 -0.620 0.000 0.196 127 E C 2.024 178.427 176.600 -0.328 0.000 0.993 127 E CA 1.259 57.539 56.400 -0.200 0.000 0.819 127 E CB 0.110 29.740 29.700 -0.116 0.000 0.745 127 E HN 0.542 nan 8.360 nan 0.000 0.477 128 K N -0.440 119.847 120.400 -0.188 0.000 2.029 128 K HA -0.030 3.918 4.320 -0.620 0.000 0.205 128 K C 2.385 178.970 176.600 -0.025 0.000 1.042 128 K CA 1.595 57.808 56.287 -0.124 0.000 0.949 128 K CB -0.063 32.392 32.500 -0.075 0.000 0.740 128 K HN 0.135 nan 8.250 nan 0.000 0.442 129 T N -2.509 112.000 114.554 -0.074 0.000 3.065 129 T HA 0.153 4.131 4.350 -0.620 0.000 0.252 129 T C 1.460 176.074 174.700 -0.143 0.000 1.099 129 T CA 0.678 62.733 62.100 -0.076 0.000 1.063 129 T CB 0.376 69.183 68.868 -0.102 0.000 0.948 129 T HN 0.415 nan 8.240 nan 0.000 0.506 130 G N 1.076 109.718 108.800 -0.264 0.000 2.184 130 G HA2 -0.232 3.357 3.960 -0.620 0.000 0.264 130 G HA3 -0.232 3.357 3.960 -0.620 0.000 0.264 130 G C 0.091 174.822 174.900 -0.281 0.000 0.975 130 G CA 0.649 45.518 45.100 -0.386 0.000 0.642 130 G HN 0.624 nan 8.290 nan 0.000 0.536 131 L N -0.676 120.412 121.223 -0.226 0.000 2.805 131 L HA 0.874 4.842 4.340 -0.620 0.000 0.242 131 L C 1.032 177.909 176.870 0.011 0.000 1.180 131 L CA -0.789 53.949 54.840 -0.170 0.000 1.001 131 L CB 0.814 42.510 42.059 -0.605 0.000 1.864 131 L HN 0.367 nan 8.230 nan 0.000 0.551 132 V N -2.130 117.794 119.914 0.017 0.000 2.962 132 V HA 0.500 4.248 4.120 -0.620 0.000 0.313 132 V C -0.391 175.828 176.094 0.209 0.000 1.099 132 V CA -0.894 61.431 62.300 0.041 0.000 0.971 132 V CB 1.903 33.592 31.823 -0.223 0.000 1.028 132 V HN 0.470 nan 8.190 nan 0.000 0.430 133 I N 2.421 123.087 120.570 0.161 0.000 2.452 133 I HA 0.575 4.373 4.170 -0.620 0.000 0.287 133 I C -0.221 176.043 176.117 0.245 0.000 1.079 133 I CA 0.796 62.221 61.300 0.208 0.000 1.387 133 I CB 0.240 38.328 38.000 0.146 0.000 1.404 133 I HN 0.890 nan 8.210 nan 0.000 0.522 134 D N 3.664 124.252 120.400 0.313 0.000 2.685 134 D HA 0.415 4.684 4.640 -0.620 0.000 0.236 134 D C 0.265 176.667 176.300 0.170 0.000 1.233 134 D CA -0.442 53.700 54.000 0.237 0.000 0.760 134 D CB 1.616 42.593 40.800 0.294 0.000 1.410 134 D HN 0.438 nan 8.370 nan 0.000 0.439 135 A N 1.542 124.420 122.820 0.097 0.000 2.178 135 A HA -0.120 3.828 4.320 -0.620 0.000 0.218 135 A C 1.616 179.226 177.584 0.044 0.000 1.157 135 A CA 1.034 53.099 52.037 0.046 0.000 0.689 135 A CB -0.741 18.251 19.000 -0.013 0.000 0.787 135 A HN 0.625 nan 8.150 nan 0.000 0.465 136 Y N 0.262 120.444 120.300 -0.195 0.000 2.165 136 Y HA -0.105 4.074 4.550 -0.618 0.000 0.286 136 Y C 0.277 176.011 175.900 -0.278 0.000 1.155 136 Y CA 0.123 58.041 58.100 -0.304 0.000 1.164 136 Y CB -0.645 37.514 38.460 -0.501 0.000 0.978 136 Y HN 0.245 nan 8.280 nan 0.000 0.513 137 F N -0.462 119.585 119.950 0.162 0.000 2.378 137 F HA 0.235 4.393 4.527 -0.616 0.000 0.319 137 F C 1.918 177.751 175.800 0.053 0.000 1.155 137 F CA 0.030 58.042 58.000 0.020 0.000 1.157 137 F CB 0.249 39.263 39.000 0.023 0.000 1.252 137 F HN -0.315 nan 8.300 nan 0.000 0.550 138 S N 0.753 116.611 115.700 0.265 0.000 2.383 138 S HA -0.245 3.853 4.470 -0.620 0.000 0.229 138 S C 2.246 176.865 174.600 0.030 0.000 1.030 138 S CA 1.180 59.481 58.200 0.169 0.000 1.002 138 S CB -0.636 62.724 63.200 0.266 0.000 0.829 138 S HN 0.737 nan 8.310 nan 0.000 0.467 139 A N 2.165 125.002 122.820 0.029 0.000 1.870 139 A HA -0.292 3.656 4.320 -0.620 0.000 0.219 139 A C 2.490 180.054 177.584 -0.032 0.000 1.286 139 A CA 3.058 55.066 52.037 -0.049 0.000 0.682 139 A CB -1.940 17.068 19.000 0.014 0.000 0.844 139 A HN 0.674 nan 8.150 nan 0.000 0.460 140 T N -2.347 112.230 114.554 0.040 0.000 3.025 140 T HA -0.078 3.900 4.350 -0.620 0.000 0.270 140 T C 1.536 176.275 174.700 0.065 0.000 1.126 140 T CA 1.673 63.804 62.100 0.051 0.000 1.105 140 T CB -0.313 68.602 68.868 0.078 0.000 0.884 140 T HN 0.613 nan 8.240 nan 0.000 0.522 141 K N 0.588 121.009 120.400 0.036 0.000 2.076 141 K HA 0.106 4.054 4.320 -0.620 0.000 0.204 141 K C 2.363 179.001 176.600 0.063 0.000 1.051 141 K CA 0.928 57.233 56.287 0.029 0.000 0.949 141 K CB -0.305 32.201 32.500 0.009 0.000 0.726 141 K HN 0.215 nan 8.250 nan 0.000 0.443 142 V N 1.969 121.865 119.914 -0.031 0.000 2.295 142 V HA -0.256 3.492 4.120 -0.620 0.000 0.246 142 V C 2.426 178.493 176.094 -0.045 0.000 1.049 142 V CA 1.865 64.106 62.300 -0.097 0.000 1.024 142 V CB -0.533 31.073 31.823 -0.362 0.000 0.648 142 V HN 0.257 nan 8.190 nan 0.000 0.447 143 R N -0.208 120.268 120.500 -0.039 0.000 2.070 143 R HA -0.234 3.734 4.340 -0.620 0.000 0.233 143 R C 1.990 178.302 176.300 0.020 0.000 1.137 143 R CA 2.192 58.274 56.100 -0.030 0.000 0.945 143 R CB -1.376 28.908 30.300 -0.026 0.000 0.845 143 R HN 0.571 nan 8.270 nan 0.000 0.430 144 W N 0.583 121.827 121.300 -0.093 0.000 2.308 144 W HA -0.219 4.069 4.660 -0.620 0.000 0.301 144 W C 1.723 178.188 176.519 -0.091 0.000 1.220 144 W CA 2.008 59.296 57.345 -0.096 0.000 1.240 144 W CB -0.193 29.186 29.460 -0.135 0.000 1.142 144 W HN 0.185 nan 8.180 nan 0.000 0.521 145 L N -0.332 121.060 121.223 0.282 0.000 2.027 145 L HA -0.228 3.740 4.340 -0.620 0.000 0.206 145 L C 2.435 179.281 176.870 -0.039 0.000 1.074 145 L CA 1.237 56.185 54.840 0.180 0.000 0.745 145 L CB -0.853 41.297 42.059 0.152 0.000 0.898 145 L HN 0.030 nan 8.230 nan 0.000 0.433 146 L N -0.981 120.204 121.223 -0.063 0.000 2.156 146 L HA -0.174 3.794 4.340 -0.620 0.000 0.208 146 L C 2.015 178.797 176.870 -0.146 0.000 1.095 146 L CA 0.795 55.577 54.840 -0.098 0.000 0.770 146 L CB -0.507 41.496 42.059 -0.093 0.000 0.914 146 L HN 0.216 nan 8.230 nan 0.000 0.439 147 D N 0.397 120.682 120.400 -0.192 0.000 2.084 147 D HA -0.152 4.117 4.640 -0.620 0.000 0.194 147 D C 1.604 177.697 176.300 -0.345 0.000 0.990 147 D CA 1.153 55.000 54.000 -0.255 0.000 0.826 147 D CB 0.071 40.691 40.800 -0.301 0.000 0.971 147 D HN 0.211 nan 8.370 nan 0.000 0.453 148 N N -0.208 118.166 118.700 -0.544 0.000 2.230 148 N HA 0.055 4.423 4.740 -0.620 0.000 0.202 148 N C -0.423 174.893 175.510 -0.324 0.000 1.119 148 N CA 0.060 52.769 53.050 -0.570 0.000 0.851 148 N CB 1.558 39.348 38.487 -1.161 0.000 0.990 148 N HN 0.179 nan 8.380 nan 0.000 0.497 149 I N 1.447 121.893 120.570 -0.207 0.000 2.404 149 I HA 0.226 4.024 4.170 -0.620 0.000 0.293 149 I C 0.559 176.628 176.117 -0.080 0.000 0.992 149 I CA -0.834 60.407 61.300 -0.098 0.000 1.149 149 I CB 1.524 39.498 38.000 -0.044 0.000 1.315 149 I HN -0.174 nan 8.210 nan 0.000 0.446 150 E N 3.429 123.596 120.200 -0.056 0.000 2.414 150 E HA 0.260 4.239 4.350 -0.620 0.000 0.263 150 E C 1.113 177.690 176.600 -0.038 0.000 1.000 150 E CA 0.834 57.207 56.400 -0.045 0.000 0.914 150 E CB 0.506 30.188 29.700 -0.030 0.000 0.948 150 E HN 0.913 nan 8.360 nan 0.000 0.444 151 G N 2.695 111.471 108.800 -0.040 0.000 2.302 151 G HA2 -0.462 3.127 3.960 -0.620 0.000 0.263 151 G HA3 -0.462 3.127 3.960 -0.620 0.000 0.263 151 G C 1.129 176.003 174.900 -0.043 0.000 0.995 151 G CA 0.897 45.976 45.100 -0.036 0.000 0.622 151 G HN 0.717 nan 8.290 nan 0.000 0.538 152 A N 0.074 122.864 122.820 -0.050 0.000 1.848 152 A HA -0.181 3.767 4.320 -0.620 0.000 0.217 152 A C 2.210 179.754 177.584 -0.066 0.000 1.220 152 A CA 3.050 55.052 52.037 -0.058 0.000 0.645 152 A CB -0.861 18.101 19.000 -0.064 0.000 0.842 152 A HN 1.121 nan 8.150 nan 0.000 0.451 153 Q N -0.181 119.576 119.800 -0.072 0.000 2.217 153 Q HA -0.223 3.745 4.340 -0.620 0.000 0.209 153 Q C 1.813 177.775 176.000 -0.063 0.000 0.988 153 Q CA 2.420 58.179 55.803 -0.073 0.000 0.878 153 Q CB -0.365 28.328 28.738 -0.075 0.000 0.909 153 Q HN 0.816 nan 8.270 nan 0.000 0.424 154 E N -0.376 119.791 120.200 -0.054 0.000 2.046 154 E HA -0.145 3.833 4.350 -0.620 0.000 0.190 154 E C 1.921 178.493 176.600 -0.045 0.000 0.982 154 E CA 1.199 57.572 56.400 -0.045 0.000 0.800 154 E CB -0.050 29.628 29.700 -0.037 0.000 0.756 154 E HN 0.351 nan 8.360 nan 0.000 0.449 155 K N 0.737 121.108 120.400 -0.047 0.000 2.147 155 K HA -0.074 3.874 4.320 -0.620 0.000 0.205 155 K C 2.173 178.735 176.600 -0.064 0.000 1.049 155 K CA 0.962 57.220 56.287 -0.049 0.000 0.936 155 K CB -0.089 32.382 32.500 -0.047 0.000 0.722 155 K HN 0.037 nan 8.250 nan 0.000 0.446 156 A N 2.103 124.878 122.820 -0.075 0.000 1.898 156 A HA -0.184 3.764 4.320 -0.620 0.000 0.216 156 A C 1.679 179.217 177.584 -0.078 0.000 1.181 156 A CA 1.667 53.650 52.037 -0.091 0.000 0.620 156 A CB -0.304 18.637 19.000 -0.099 0.000 0.819 156 A HN 0.170 nan 8.150 nan 0.000 0.442 157 D N -0.545 119.817 120.400 -0.065 0.000 2.264 157 D HA -0.115 4.153 4.640 -0.620 0.000 0.208 157 D C 1.247 177.521 176.300 -0.043 0.000 0.966 157 D CA 1.180 55.148 54.000 -0.054 0.000 0.864 157 D CB -0.298 40.474 40.800 -0.047 0.000 0.933 157 D HN 0.517 nan 8.370 nan 0.000 0.499 158 N N 0.129 118.804 118.700 -0.042 0.000 2.449 158 N HA -0.003 4.365 4.740 -0.620 0.000 0.191 158 N C 1.054 176.544 175.510 -0.034 0.000 1.161 158 N CA 0.846 53.877 53.050 -0.032 0.000 0.863 158 N CB 0.033 38.503 38.487 -0.028 0.000 0.980 158 N HN 0.105 nan 8.380 nan 0.000 0.458 159 G N 0.184 108.957 108.800 -0.046 0.000 2.166 159 G HA2 -0.276 3.312 3.960 -0.620 0.000 0.260 159 G HA3 -0.276 3.312 3.960 -0.620 0.000 0.260 159 G C 0.801 175.665 174.900 -0.060 0.000 0.986 159 G CA 0.538 45.609 45.100 -0.049 0.000 0.683 159 G HN 0.424 nan 8.290 nan 0.000 0.527 160 E N -0.656 119.504 120.200 -0.066 0.000 2.442 160 E HA 0.236 4.215 4.350 -0.620 0.000 0.195 160 E C 1.324 177.848 176.600 -0.126 0.000 1.030 160 E CA 0.405 56.764 56.400 -0.069 0.000 0.869 160 E CB 0.196 29.870 29.700 -0.044 0.000 0.857 160 E HN 0.650 nan 8.360 nan 0.000 0.505 161 L N 0.926 122.044 121.223 -0.175 0.000 2.346 161 L HA 0.460 4.428 4.340 -0.620 0.000 0.274 161 L C -0.304 176.314 176.870 -0.420 0.000 1.007 161 L CA -0.684 53.987 54.840 -0.282 0.000 0.818 161 L CB 1.793 43.723 42.059 -0.214 0.000 1.284 161 L HN -0.211 nan 8.230 nan 0.000 0.424 162 L N 2.653 123.413 121.223 -0.770 0.000 2.341 162 L HA 0.498 4.466 4.340 -0.620 0.000 0.278 162 L C -0.753 175.490 176.870 -1.045 0.000 1.005 162 L CA -0.480 53.737 54.840 -1.038 0.000 0.818 162 L CB 2.001 43.025 42.059 -1.725 0.000 1.259 162 L HN 0.398 nan 8.230 nan 0.000 0.418 163 F N 2.052 121.626 119.950 -0.626 0.000 2.425 163 F HA 0.881 5.035 4.527 -0.623 0.000 0.331 163 F C 0.099 175.824 175.800 -0.125 0.000 1.085 163 F CA -0.477 57.299 58.000 -0.374 0.000 1.028 163 F CB 1.940 40.798 39.000 -0.237 0.000 1.177 163 F HN 0.383 nan 8.300 nan 0.000 0.487 164 G N 2.080 110.109 108.800 -1.286 0.000 2.655 164 G HA2 0.454 4.042 3.960 -0.620 0.000 0.296 164 G HA3 0.454 4.042 3.960 -0.620 0.000 0.296 164 G C -1.288 173.252 174.900 -0.601 0.000 1.485 164 G CA -0.427 44.145 45.100 -0.880 0.000 0.869 164 G HN 0.883 nan 8.290 nan 0.000 0.540 165 T N -0.223 114.102 114.554 -0.383 0.000 2.816 165 T HA 0.381 4.359 4.350 -0.620 0.000 0.282 165 T C 1.608 176.333 174.700 0.040 0.000 0.993 165 T CA -0.491 61.561 62.100 -0.079 0.000 0.994 165 T CB 1.093 69.972 68.868 0.018 0.000 1.025 165 T HN 0.208 nan 8.240 nan 0.000 0.529 166 I N 2.304 122.935 120.570 0.102 0.000 2.236 166 I HA -0.223 3.575 4.170 -0.620 0.000 0.249 166 I C 2.476 178.683 176.117 0.150 0.000 1.102 166 I CA 1.612 63.018 61.300 0.178 0.000 1.365 166 I CB -0.842 37.270 38.000 0.187 0.000 1.051 166 I HN 0.891 nan 8.210 nan 0.000 0.420 167 D N -0.881 119.558 120.400 0.065 0.000 2.104 167 D HA -0.224 4.045 4.640 -0.620 0.000 0.194 167 D C 2.168 178.454 176.300 -0.025 0.000 0.994 167 D CA 1.760 55.758 54.000 -0.004 0.000 0.830 167 D CB -0.822 39.945 40.800 -0.056 0.000 0.959 167 D HN 0.356 nan 8.370 nan 0.000 0.452 168 S N -0.591 115.113 115.700 0.006 0.000 2.368 168 S HA -0.157 3.941 4.470 -0.620 0.000 0.225 168 S C 1.683 176.385 174.600 0.169 0.000 1.030 168 S CA 1.286 59.519 58.200 0.055 0.000 0.999 168 S CB -0.903 62.326 63.200 0.049 0.000 0.844 168 S HN 0.595 nan 8.310 nan 0.000 0.459 169 W N 1.559 122.810 121.300 -0.082 0.000 2.388 169 W HA -0.073 4.213 4.660 -0.622 0.000 0.294 169 W C 1.445 177.795 176.519 -0.282 0.000 1.212 169 W CA 0.785 57.928 57.345 -0.336 0.000 1.271 169 W CB -0.261 28.995 29.460 -0.341 0.000 1.126 169 W HN 0.332 nan 8.180 nan 0.000 0.535 170 L N 0.269 121.348 121.223 -0.241 0.000 2.109 170 L HA -0.193 3.775 4.340 -0.620 0.000 0.207 170 L C 2.413 179.082 176.870 -0.335 0.000 1.086 170 L CA 0.753 55.381 54.840 -0.353 0.000 0.760 170 L CB -1.183 40.842 42.059 -0.056 0.000 0.910 170 L HN -0.217 nan 8.230 nan 0.000 0.437 171 V N -1.047 118.755 119.914 -0.186 0.000 2.343 171 V HA -0.288 3.461 4.120 -0.620 0.000 0.247 171 V C 2.105 178.112 176.094 -0.146 0.000 1.051 171 V CA 1.850 64.062 62.300 -0.148 0.000 1.036 171 V CB -0.568 31.188 31.823 -0.113 0.000 0.654 171 V HN 0.571 nan 8.190 nan 0.000 0.451 172 W N 1.080 122.193 121.300 -0.312 0.000 2.338 172 W HA -0.160 4.127 4.660 -0.622 0.000 0.304 172 W C 2.491 178.668 176.519 -0.570 0.000 1.212 172 W CA 1.685 58.846 57.345 -0.307 0.000 1.264 172 W CB -0.008 29.317 29.460 -0.225 0.000 1.142 172 W HN 0.012 nan 8.180 nan 0.000 0.512 173 K N 0.057 120.025 120.400 -0.719 0.000 2.057 173 K HA -0.102 3.847 4.320 -0.620 0.000 0.206 173 K C 2.042 178.144 176.600 -0.830 0.000 1.050 173 K CA 1.479 57.054 56.287 -1.187 0.000 0.935 173 K CB -1.195 29.916 32.500 -2.315 0.000 0.715 173 K HN 0.325 nan 8.250 nan 0.000 0.439 174 L N 1.083 121.967 121.223 -0.564 0.000 2.093 174 L HA -0.129 3.839 4.340 -0.620 0.000 0.208 174 L C 2.179 178.919 176.870 -0.217 0.000 1.085 174 L CA 1.670 56.370 54.840 -0.233 0.000 0.755 174 L CB -0.679 41.286 42.059 -0.155 0.000 0.904 174 L HN 0.278 nan 8.230 nan 0.000 0.435 175 T N -5.089 109.306 114.554 -0.265 0.000 3.144 175 T HA 0.001 3.980 4.350 -0.620 0.000 0.249 175 T C 0.744 175.251 174.700 -0.321 0.000 1.089 175 T CA 0.092 62.061 62.100 -0.219 0.000 0.989 175 T CB -0.086 68.689 68.868 -0.155 0.000 0.992 175 T HN 0.252 nan 8.240 nan 0.000 0.540 176 D N 1.124 121.260 120.400 -0.440 0.000 2.751 176 D HA -0.170 4.099 4.640 -0.620 0.000 0.233 176 D C 1.151 176.999 176.300 -0.753 0.000 1.149 176 D CA 1.647 55.334 54.000 -0.522 0.000 0.682 176 D CB -1.613 39.014 40.800 -0.289 0.000 1.068 176 D HN 1.015 nan 8.370 nan 0.000 0.429 177 G N -1.165 106.911 108.800 -1.207 0.000 2.176 177 G HA2 -0.360 3.228 3.960 -0.620 0.000 0.232 177 G HA3 -0.360 3.228 3.960 -0.620 0.000 0.232 177 G C 0.865 175.438 174.900 -0.544 0.000 0.986 177 G CA 0.697 44.920 45.100 -1.460 0.000 0.643 177 G HN 0.517 nan 8.290 nan 0.000 0.522 178 Q N -0.858 118.734 119.800 -0.347 0.000 2.123 178 Q HA 0.243 4.211 4.340 -0.620 0.000 0.196 178 Q C 0.857 176.866 176.000 0.016 0.000 0.958 178 Q CA 1.422 57.158 55.803 -0.111 0.000 0.841 178 Q CB 0.464 29.148 28.738 -0.089 0.000 0.915 178 Q HN 0.469 nan 8.270 nan 0.000 0.455 179 V N 1.203 121.134 119.914 0.028 0.000 2.384 179 V HA 0.165 3.913 4.120 -0.620 0.000 0.287 179 V C -1.012 175.293 176.094 0.352 0.000 1.020 179 V CA -0.710 61.683 62.300 0.154 0.000 0.850 179 V CB 1.165 33.046 31.823 0.096 0.000 0.987 179 V HN 0.206 nan 8.190 nan 0.000 0.436 180 H N 4.054 123.301 119.070 0.294 0.000 2.697 180 H HA 0.749 4.935 4.556 -0.616 0.000 0.270 180 H C -0.909 174.530 175.328 0.184 0.000 1.188 180 H CA -0.173 56.086 56.048 0.352 0.000 1.322 180 H CB 1.170 31.142 29.762 0.351 0.000 1.405 180 H HN 0.481 nan 8.280 nan 0.000 0.502 181 V N 3.571 123.444 119.914 -0.068 0.000 3.119 181 V HA 0.795 4.543 4.120 -0.620 0.000 0.311 181 V C -0.932 175.028 176.094 -0.225 0.000 1.259 181 V CA -0.087 62.117 62.300 -0.161 0.000 1.067 181 V CB 2.463 34.239 31.823 -0.078 0.000 1.123 181 V HN 0.808 nan 8.190 nan 0.000 0.463 182 T N 0.807 115.218 114.554 -0.240 0.000 2.893 182 T HA 0.327 4.306 4.350 -0.620 0.000 0.337 182 T C -2.015 172.508 174.700 -0.295 0.000 1.587 182 T CA -0.333 61.616 62.100 -0.252 0.000 1.066 182 T CB 1.397 70.175 68.868 -0.151 0.000 1.414 182 T HN 1.029 nan 8.240 nan 0.000 0.488 183 D N 2.233 122.465 120.400 -0.280 0.000 2.387 183 D HA 0.183 4.451 4.640 -0.620 0.000 0.251 183 D C 0.717 176.864 176.300 -0.256 0.000 1.141 183 D CA -0.461 53.380 54.000 -0.264 0.000 0.987 183 D CB 0.756 41.466 40.800 -0.149 0.000 1.116 183 D HN 0.504 nan 8.370 nan 0.000 0.491 184 Y N 0.196 120.393 120.300 -0.171 0.000 2.207 184 Y HA -0.220 3.974 4.550 -0.593 0.000 0.287 184 Y C 2.974 178.771 175.900 -0.172 0.000 1.156 184 Y CA 1.154 59.122 58.100 -0.220 0.000 1.182 184 Y CB -0.920 37.475 38.460 -0.108 0.000 0.979 184 Y HN 0.424 nan 8.280 nan 0.000 0.521 185 S N -0.023 115.716 115.700 0.065 0.000 2.354 185 S HA -0.220 3.878 4.470 -0.620 0.000 0.219 185 S C 2.129 176.728 174.600 -0.003 0.000 1.035 185 S CA 1.689 59.913 58.200 0.039 0.000 1.037 185 S CB -0.385 62.843 63.200 0.048 0.000 0.956 185 S HN 0.498 nan 8.310 nan 0.000 0.428 186 N N 1.279 119.959 118.700 -0.035 0.000 2.142 186 N HA -0.026 4.343 4.740 -0.620 0.000 0.186 186 N C 1.984 177.487 175.510 -0.012 0.000 1.023 186 N CA 1.261 54.298 53.050 -0.020 0.000 0.852 186 N CB -0.733 37.735 38.487 -0.032 0.000 0.998 186 N HN 0.498 nan 8.380 nan 0.000 0.424 187 A N 1.022 123.767 122.820 -0.126 0.000 1.948 187 A HA -0.178 3.770 4.320 -0.620 0.000 0.220 187 A C 2.203 179.724 177.584 -0.105 0.000 1.177 187 A CA 2.192 54.083 52.037 -0.244 0.000 0.636 187 A CB -0.735 17.719 19.000 -0.910 0.000 0.815 187 A HN 0.483 nan 8.150 nan 0.000 0.449 188 S N -1.446 114.231 115.700 -0.038 0.000 2.660 188 S HA 0.092 4.190 4.470 -0.620 0.000 0.223 188 S C 1.294 175.927 174.600 0.056 0.000 0.963 188 S CA 0.150 58.429 58.200 0.132 0.000 0.932 188 S CB -0.112 63.177 63.200 0.148 0.000 0.775 188 S HN 0.550 nan 8.310 nan 0.000 0.531 189 R N 0.214 120.751 120.500 0.062 0.000 2.397 189 R HA 0.195 4.163 4.340 -0.620 0.000 0.241 189 R C 1.402 177.780 176.300 0.131 0.000 0.914 189 R CA 0.550 56.682 56.100 0.054 0.000 1.071 189 R CB -0.239 30.107 30.300 0.077 0.000 1.116 189 R HN 0.470 nan 8.270 nan 0.000 0.524 190 T N 0.063 114.717 114.554 0.167 0.000 3.065 190 T HA 0.083 4.061 4.350 -0.620 0.000 0.252 190 T C 1.041 175.812 174.700 0.119 0.000 1.099 190 T CA 0.057 62.287 62.100 0.216 0.000 1.063 190 T CB -0.069 68.994 68.868 0.324 0.000 0.948 190 T HN 0.276 nan 8.240 nan 0.000 0.506 191 M N 0.830 120.437 119.600 0.012 0.000 2.461 191 M HA -0.158 3.950 4.480 -0.620 0.000 0.203 191 M C -0.867 175.460 176.300 0.045 0.000 0.428 191 M CA 0.686 55.956 55.300 -0.051 0.000 0.509 191 M CB -1.250 31.307 32.600 -0.071 0.000 1.851 191 M HN 0.358 nan 8.290 nan 0.000 0.834 192 L N -0.302 121.017 121.223 0.160 0.000 3.635 192 L HA 0.289 4.257 4.340 -0.620 0.000 0.338 192 L C -0.650 176.530 176.870 0.517 0.000 1.275 192 L CA -0.408 54.545 54.840 0.188 0.000 1.092 192 L CB 0.699 42.761 42.059 0.006 0.000 1.465 192 L HN 0.416 nan 8.230 nan 0.000 0.625 193 Y N 1.221 121.698 120.300 0.294 0.000 2.373 193 Y HA 0.383 4.552 4.550 -0.636 0.000 0.336 193 Y C -0.102 175.855 175.900 0.096 0.000 0.979 193 Y CA -1.099 57.153 58.100 0.254 0.000 1.080 193 Y CB 1.386 39.926 38.460 0.135 0.000 1.190 193 Y HN -0.052 nan 8.280 nan 0.000 0.446 194 N N 7.142 125.636 118.700 -0.343 0.000 2.421 194 N HA 0.030 4.399 4.740 -0.620 0.000 0.260 194 N C 1.154 176.422 175.510 -0.404 0.000 1.173 194 N CA 0.147 53.039 53.050 -0.263 0.000 0.960 194 N CB 0.300 38.668 38.487 -0.199 0.000 1.273 194 N HN 0.937 nan 8.380 nan 0.000 0.497 195 I N 0.758 121.242 120.570 -0.144 0.000 3.164 195 I HA -0.125 3.673 4.170 -0.620 0.000 0.278 195 I C 0.347 176.376 176.117 -0.146 0.000 1.320 195 I CA 0.947 62.199 61.300 -0.079 0.000 1.422 195 I CB -0.219 37.798 38.000 0.029 0.000 1.066 195 I HN 0.335 nan 8.210 nan 0.000 0.503 196 H N 1.306 120.282 119.070 -0.157 0.000 2.439 196 H HA 0.222 4.416 4.556 -0.604 0.000 0.299 196 H C 1.538 176.788 175.328 -0.129 0.000 1.033 196 H CA 0.819 56.783 56.048 -0.140 0.000 1.348 196 H CB 0.149 29.812 29.762 -0.165 0.000 1.449 196 H HN 0.261 nan 8.280 nan 0.000 0.544 197 K N 0.944 121.315 120.400 -0.048 0.000 2.374 197 K HA 0.112 4.060 4.320 -0.620 0.000 0.196 197 K C -0.411 176.094 176.600 -0.158 0.000 1.023 197 K CA -0.007 56.227 56.287 -0.089 0.000 1.103 197 K CB 0.974 33.424 32.500 -0.084 0.000 0.848 197 K HN 0.043 nan 8.250 nan 0.000 0.528 198 L N 1.530 122.587 121.223 -0.278 0.000 3.677 198 L HA -0.208 3.760 4.340 -0.620 0.000 0.464 198 L C -0.355 176.331 176.870 -0.307 0.000 1.278 198 L CA 1.216 55.864 54.840 -0.320 0.000 0.806 198 L CB -2.449 39.536 42.059 -0.123 0.000 1.610 198 L HN 0.378 nan 8.230 nan 0.000 0.867 199 E N -1.195 118.629 120.200 -0.627 0.000 2.407 199 E HA 0.482 4.460 4.350 -0.620 0.000 0.279 199 E C -1.048 175.397 176.600 -0.260 0.000 1.012 199 E CA -0.625 55.607 56.400 -0.280 0.000 0.800 199 E CB 0.809 30.454 29.700 -0.093 0.000 1.276 199 E HN 0.134 nan 8.360 nan 0.000 0.452 200 W N 1.896 123.269 121.300 0.123 0.000 2.322 200 W HA 0.143 4.442 4.660 -0.602 0.000 0.328 200 W C 0.201 176.727 176.519 0.012 0.000 1.395 200 W CA -0.164 57.270 57.345 0.148 0.000 1.267 200 W CB 0.453 30.003 29.460 0.151 0.000 1.259 200 W HN 0.468 nan 8.180 nan 0.000 0.560 201 D N 2.369 122.919 120.400 0.250 0.000 2.358 201 D HA -0.076 4.192 4.640 -0.620 0.000 0.258 201 D C 1.168 177.525 176.300 0.094 0.000 1.223 201 D CA 0.214 54.274 54.000 0.100 0.000 0.886 201 D CB 1.125 41.956 40.800 0.051 0.000 1.120 201 D HN 0.322 nan 8.370 nan 0.000 0.482 202 Q N 2.902 122.742 119.800 0.067 0.000 2.119 202 Q HA -0.148 3.820 4.340 -0.620 0.000 0.201 202 Q C 1.195 177.198 176.000 0.005 0.000 0.972 202 Q CA 1.544 57.371 55.803 0.040 0.000 0.847 202 Q CB 0.159 28.919 28.738 0.037 0.000 0.903 202 Q HN 0.657 nan 8.270 nan 0.000 0.433 203 E N -0.160 120.040 120.200 0.001 0.000 2.031 203 E HA -0.173 3.806 4.350 -0.620 0.000 0.193 203 E C 2.009 178.587 176.600 -0.037 0.000 0.994 203 E CA 1.423 57.815 56.400 -0.014 0.000 0.800 203 E CB -0.229 29.466 29.700 -0.009 0.000 0.752 203 E HN 0.423 nan 8.360 nan 0.000 0.447 204 I N 1.281 121.830 120.570 -0.035 0.000 2.264 204 I HA -0.300 3.498 4.170 -0.620 0.000 0.248 204 I C 2.429 178.497 176.117 -0.081 0.000 1.111 204 I CA 0.994 62.257 61.300 -0.062 0.000 1.382 204 I CB -0.320 37.660 38.000 -0.033 0.000 1.060 204 I HN 0.137 nan 8.210 nan 0.000 0.418 205 L N 0.236 121.418 121.223 -0.068 0.000 2.012 205 L HA -0.256 3.712 4.340 -0.620 0.000 0.210 205 L C 2.255 179.067 176.870 -0.095 0.000 1.073 205 L CA 1.474 56.253 54.840 -0.102 0.000 0.748 205 L CB -0.748 41.253 42.059 -0.098 0.000 0.891 205 L HN 0.301 nan 8.230 nan 0.000 0.431 206 D N -0.035 120.323 120.400 -0.070 0.000 2.144 206 D HA -0.166 4.102 4.640 -0.620 0.000 0.200 206 D C 2.112 178.368 176.300 -0.073 0.000 0.978 206 D CA 0.969 54.931 54.000 -0.063 0.000 0.833 206 D CB -0.065 40.710 40.800 -0.042 0.000 0.961 206 D HN 0.141 nan 8.370 nan 0.000 0.470 207 L N 0.381 121.549 121.223 -0.091 0.000 2.187 207 L HA -0.090 3.878 4.340 -0.620 0.000 0.213 207 L C 1.624 178.419 176.870 -0.125 0.000 1.100 207 L CA 1.380 56.144 54.840 -0.128 0.000 0.765 207 L CB -0.113 41.818 42.059 -0.213 0.000 0.904 207 L HN -0.008 nan 8.230 nan 0.000 0.437 208 L N -0.984 120.171 121.223 -0.114 0.000 3.014 208 L HA 0.229 4.197 4.340 -0.620 0.000 0.263 208 L C 0.659 177.469 176.870 -0.099 0.000 1.207 208 L CA -0.145 54.633 54.840 -0.104 0.000 1.017 208 L CB -0.185 41.807 42.059 -0.112 0.000 1.360 208 L HN 0.266 nan 8.230 nan 0.000 0.560 209 N N 1.776 120.422 118.700 -0.090 0.000 2.710 209 N HA -0.242 4.126 4.740 -0.620 0.000 0.249 209 N C -0.412 175.036 175.510 -0.103 0.000 1.059 209 N CA 0.562 53.561 53.050 -0.085 0.000 0.720 209 N CB -1.037 37.406 38.487 -0.073 0.000 0.983 209 N HN 0.409 nan 8.380 nan 0.000 0.544 210 I N 1.227 121.721 120.570 -0.128 0.000 2.291 210 I HA 0.242 4.040 4.170 -0.620 0.000 0.290 210 I C -1.729 174.297 176.117 -0.152 0.000 1.050 210 I CA -1.851 59.351 61.300 -0.163 0.000 1.245 210 I CB 0.950 38.812 38.000 -0.231 0.000 1.405 210 I HN 0.042 nan 8.210 nan 0.000 0.478 211 P HA -0.003 nan 4.420 nan 0.000 0.266 211 P C 0.709 177.932 177.300 -0.128 0.000 1.215 211 P CA -0.081 62.954 63.100 -0.108 0.000 0.763 211 P CB 0.875 32.520 31.700 -0.092 0.000 0.806 212 S N 1.435 117.068 115.700 -0.112 0.000 2.641 212 S HA -0.101 3.997 4.470 -0.620 0.000 0.239 212 S C 1.349 175.904 174.600 -0.075 0.000 0.972 212 S CA 0.735 58.861 58.200 -0.122 0.000 0.954 212 S CB -1.088 62.072 63.200 -0.066 0.000 0.767 212 S HN 0.517 nan 8.310 nan 0.000 0.539 213 S N 0.626 116.285 115.700 -0.069 0.000 2.593 213 S HA 0.232 4.330 4.470 -0.620 0.000 0.217 213 S C 1.504 176.064 174.600 -0.067 0.000 0.966 213 S CA -0.065 58.109 58.200 -0.043 0.000 0.914 213 S CB -0.512 62.660 63.200 -0.046 0.000 0.776 213 S HN 0.584 nan 8.310 nan 0.000 0.523 214 M N 0.926 120.466 119.600 -0.100 0.000 2.394 214 M HA 0.297 4.406 4.480 -0.620 0.000 0.266 214 M C 0.210 176.522 176.300 0.021 0.000 1.098 214 M CA 0.385 55.617 55.300 -0.114 0.000 1.149 214 M CB -0.324 32.199 32.600 -0.128 0.000 1.369 214 M HN 0.226 nan 8.290 nan 0.000 0.450 215 L N 2.933 124.141 121.223 -0.026 0.000 2.461 215 L HA 0.182 4.151 4.340 -0.620 0.000 0.272 215 L C -2.038 174.981 176.870 0.247 0.000 1.197 215 L CA -1.589 53.255 54.840 0.005 0.000 0.836 215 L CB -0.414 41.324 42.059 -0.535 0.000 1.105 215 L HN -0.064 nan 8.230 nan 0.000 0.477 216 P HA 0.249 nan 4.420 nan 0.000 0.285 216 P C -1.261 176.143 177.300 0.173 0.000 1.285 216 P CA -0.855 62.166 63.100 -0.132 0.000 0.854 216 P CB 1.007 32.176 31.700 -0.885 0.000 1.180 217 E N -0.098 120.138 120.200 0.059 0.000 2.344 217 E HA 0.224 4.202 4.350 -0.620 0.000 0.270 217 E C -0.360 176.198 176.600 -0.070 0.000 1.021 217 E CA -0.500 55.930 56.400 0.050 0.000 0.887 217 E CB 0.593 30.320 29.700 0.045 0.000 0.997 217 E HN 0.148 nan 8.360 nan 0.000 0.429 218 V N 4.656 124.466 119.914 -0.173 0.000 2.432 218 V HA 0.160 3.908 4.120 -0.620 0.000 0.275 218 V C 0.411 176.306 176.094 -0.331 0.000 1.043 218 V CA -0.035 62.059 62.300 -0.343 0.000 0.925 218 V CB 0.731 32.210 31.823 -0.573 0.000 0.985 218 V HN 0.597 nan 8.190 nan 0.000 0.466 219 K N 2.147 122.308 120.400 -0.399 0.000 2.246 219 K HA 0.630 4.578 4.320 -0.620 0.000 0.239 219 K C 0.188 176.349 176.600 -0.731 0.000 1.089 219 K CA -0.638 55.412 56.287 -0.395 0.000 0.892 219 K CB 1.812 34.292 32.500 -0.033 0.000 1.334 219 K HN 0.696 nan 8.250 nan 0.000 0.507 220 S N -0.326 115.114 115.700 -0.432 0.000 2.652 220 S HA 0.168 4.266 4.470 -0.620 0.000 0.267 220 S C 0.589 175.165 174.600 -0.041 0.000 1.201 220 S CA -0.509 57.514 58.200 -0.296 0.000 0.996 220 S CB 0.383 63.563 63.200 -0.034 0.000 1.054 220 S HN 0.514 nan 8.310 nan 0.000 0.561 221 N N 0.021 118.744 118.700 0.038 0.000 2.336 221 N HA 0.118 4.486 4.740 -0.620 0.000 0.189 221 N C -0.391 175.126 175.510 0.011 0.000 1.113 221 N CA 0.274 53.355 53.050 0.051 0.000 0.858 221 N CB 0.620 39.112 38.487 0.008 0.000 0.970 221 N HN 0.520 nan 8.380 nan 0.000 0.471 222 S N 0.808 116.482 115.700 -0.043 0.000 2.721 222 S HA 0.292 4.391 4.470 -0.620 0.000 0.264 222 S C -1.471 173.017 174.600 -0.187 0.000 1.161 222 S CA -0.597 57.540 58.200 -0.104 0.000 1.113 222 S CB 0.316 63.466 63.200 -0.084 0.000 1.079 222 S HN 0.365 nan 8.310 nan 0.000 0.479 223 E N 1.507 121.483 120.200 -0.374 0.000 2.412 223 E HA 0.163 4.141 4.350 -0.620 0.000 0.283 223 E C -1.769 174.425 176.600 -0.676 0.000 1.160 223 E CA -1.062 55.081 56.400 -0.428 0.000 0.918 223 E CB 0.141 29.618 29.700 -0.372 0.000 1.194 223 E HN 0.236 nan 8.360 nan 0.000 0.428 224 V N 3.727 123.403 119.914 -0.396 0.000 2.409 224 V HA -0.010 3.738 4.120 -0.620 0.000 0.270 224 V C 0.298 176.198 176.094 -0.322 0.000 1.019 224 V CA 0.450 62.558 62.300 -0.321 0.000 1.066 224 V CB -0.971 30.768 31.823 -0.140 0.000 1.021 224 V HN 0.647 nan 8.190 nan 0.000 0.476 225 Y N 3.739 124.000 120.300 -0.065 0.000 2.337 225 Y HA 0.360 4.533 4.550 -0.627 0.000 0.293 225 Y C 1.608 177.499 175.900 -0.016 0.000 1.123 225 Y CA 0.956 59.027 58.100 -0.048 0.000 1.201 225 Y CB 0.229 38.650 38.460 -0.065 0.000 1.011 225 Y HN 0.758 nan 8.280 nan 0.000 0.545 226 G N -2.082 106.783 108.800 0.108 0.000 2.335 226 G HA2 0.362 3.950 3.960 -0.620 0.000 0.291 226 G HA3 0.362 3.950 3.960 -0.620 0.000 0.291 226 G C -2.130 172.819 174.900 0.081 0.000 1.261 226 G CA -0.900 44.290 45.100 0.149 0.000 0.871 226 G HN 0.021 nan 8.290 nan 0.000 0.491 227 H N -0.566 118.474 119.070 -0.049 0.000 2.797 227 H HA 0.715 4.899 4.556 -0.619 0.000 0.372 227 H C 0.586 175.851 175.328 -0.104 0.000 1.168 227 H CA 0.197 56.200 56.048 -0.075 0.000 1.163 227 H CB 1.754 31.483 29.762 -0.054 0.000 1.778 227 H HN 0.742 nan 8.280 nan 0.000 0.551 228 T N -1.171 113.350 114.554 -0.055 0.000 2.788 228 T HA 0.444 4.422 4.350 -0.620 0.000 0.287 228 T C 0.768 175.466 174.700 -0.004 0.000 1.007 228 T CA -0.476 61.563 62.100 -0.101 0.000 1.005 228 T CB 1.541 70.243 68.868 -0.276 0.000 1.012 228 T HN 0.697 nan 8.240 nan 0.000 0.530 229 R N -0.599 119.909 120.500 0.014 0.000 3.246 229 R HA 0.194 4.162 4.340 -0.620 0.000 0.144 229 R C 0.694 177.044 176.300 0.083 0.000 0.772 229 R CA 0.420 56.544 56.100 0.041 0.000 1.364 229 R CB -0.403 29.893 30.300 -0.007 0.000 1.665 229 R HN 0.850 nan 8.270 nan 0.000 0.520 230 S N 2.133 117.876 115.700 0.072 0.000 2.691 230 S HA -0.215 3.884 4.470 -0.620 0.000 0.320 230 S C 0.793 175.423 174.600 0.049 0.000 1.241 230 S CA 0.513 58.735 58.200 0.036 0.000 1.028 230 S CB 0.033 63.271 63.200 0.063 0.000 0.726 230 S HN 0.447 nan 8.310 nan 0.000 0.488 231 Y N -0.165 120.228 120.300 0.155 0.000 2.749 231 Y HA 0.283 4.462 4.550 -0.618 0.000 0.321 231 Y C 1.495 177.559 175.900 0.273 0.000 1.195 231 Y CA 0.465 58.683 58.100 0.195 0.000 1.338 231 Y CB -0.737 37.801 38.460 0.129 0.000 1.017 231 Y HN 0.806 nan 8.280 nan 0.000 0.517 232 E N -0.703 119.472 120.200 -0.042 0.000 2.413 232 E HA 0.198 4.177 4.350 -0.620 0.000 0.203 232 E C 0.052 176.165 176.600 -0.811 0.000 0.957 232 E CA 0.108 56.391 56.400 -0.196 0.000 0.950 232 E CB -0.002 29.507 29.700 -0.318 0.000 0.957 232 E HN 0.379 nan 8.360 nan 0.000 0.497 233 F N 0.771 120.470 119.950 -0.418 0.000 2.923 233 F HA 0.165 4.321 4.527 -0.618 0.000 0.314 233 F C -0.015 175.534 175.800 -0.418 0.000 1.196 233 F CA -0.677 57.046 58.000 -0.462 0.000 1.320 233 F CB -0.047 38.858 39.000 -0.158 0.000 0.953 233 F HN 0.117 nan 8.300 nan 0.000 0.505 234 Y N -1.148 119.186 120.300 0.057 0.000 2.639 234 Y HA 0.044 4.224 4.550 -0.618 0.000 0.289 234 Y C 1.473 177.390 175.900 0.029 0.000 1.155 234 Y CA -0.389 57.738 58.100 0.044 0.000 1.379 234 Y CB -1.710 36.754 38.460 0.006 0.000 0.967 234 Y HN 0.073 nan 8.280 nan 0.000 0.569 235 G N 0.855 109.647 108.800 -0.014 0.000 2.398 235 G HA2 0.247 3.835 3.960 -0.620 0.000 0.246 235 G HA3 0.247 3.835 3.960 -0.620 0.000 0.246 235 G C 0.958 175.913 174.900 0.091 0.000 1.289 235 G CA 0.256 45.394 45.100 0.064 0.000 0.869 235 G HN 0.566 nan 8.290 nan 0.000 0.543 236 S N 1.844 117.598 115.700 0.089 0.000 2.614 236 S HA -0.380 3.718 4.470 -0.620 0.000 0.365 236 S C 0.789 175.441 174.600 0.087 0.000 1.312 236 S CA 2.377 60.625 58.200 0.079 0.000 1.416 236 S CB -0.676 62.566 63.200 0.071 0.000 1.399 236 S HN 1.046 nan 8.310 nan 0.000 0.473 237 E N -0.744 119.516 120.200 0.101 0.000 2.336 237 E HA 0.197 4.175 4.350 -0.620 0.000 0.230 237 E C -1.313 175.361 176.600 0.124 0.000 1.151 237 E CA -0.002 56.469 56.400 0.118 0.000 0.519 237 E CB 0.243 30.020 29.700 0.128 0.000 0.997 237 E HN 0.430 nan 8.360 nan 0.000 0.422 238 V N 2.912 122.841 119.914 0.026 0.000 2.788 238 V HA 0.095 3.843 4.120 -0.620 0.000 0.307 238 V C -1.628 174.303 176.094 -0.272 0.000 1.069 238 V CA -0.241 62.007 62.300 -0.087 0.000 1.173 238 V CB -0.052 31.715 31.823 -0.095 0.000 0.925 238 V HN 0.375 nan 8.190 nan 0.000 0.492 239 P HA 0.443 nan 4.420 nan 0.000 0.290 239 P C -0.910 176.192 177.300 -0.331 0.000 1.275 239 P CA -0.518 62.220 63.100 -0.604 0.000 0.841 239 P CB 1.298 32.630 31.700 -0.613 0.000 1.042 240 I N 2.171 122.588 120.570 -0.254 0.000 2.306 240 I HA 0.388 4.186 4.170 -0.620 0.000 0.288 240 I C 0.951 177.087 176.117 0.031 0.000 1.036 240 I CA -0.427 60.825 61.300 -0.080 0.000 1.221 240 I CB 1.126 39.111 38.000 -0.025 0.000 1.385 240 I HN 0.361 nan 8.210 nan 0.000 0.472 241 A N 4.831 127.649 122.820 -0.003 0.000 2.609 241 A HA 0.631 4.579 4.320 -0.620 0.000 0.286 241 A C 0.613 178.207 177.584 0.017 0.000 1.138 241 A CA -0.223 51.749 52.037 -0.109 0.000 0.960 241 A CB 0.394 19.302 19.000 -0.153 0.000 1.208 241 A HN 0.715 nan 8.150 nan 0.000 0.541 242 G N -0.116 108.805 108.800 0.202 0.000 2.723 242 G HA2 0.576 4.164 3.960 -0.620 0.000 0.295 242 G HA3 0.576 4.164 3.960 -0.620 0.000 0.295 242 G C -1.162 173.838 174.900 0.166 0.000 1.464 242 G CA -0.330 44.868 45.100 0.163 0.000 1.012 242 G HN 0.171 nan 8.290 nan 0.000 0.522 243 M N 2.000 121.674 119.600 0.123 0.000 2.322 243 M HA 0.706 4.814 4.480 -0.620 0.000 0.286 243 M C -0.987 175.289 176.300 -0.039 0.000 1.111 243 M CA -0.222 55.059 55.300 -0.032 0.000 0.941 243 M CB 2.279 34.715 32.600 -0.274 0.000 1.671 243 M HN 0.998 nan 8.290 nan 0.000 0.470 244 A N 2.602 125.397 122.820 -0.041 0.000 2.608 244 A HA 0.798 4.746 4.320 -0.620 0.000 0.292 244 A C -0.695 176.881 177.584 -0.014 0.000 1.066 244 A CA -0.416 51.608 52.037 -0.022 0.000 0.676 244 A CB 0.969 19.959 19.000 -0.017 0.000 1.277 244 A HN 0.951 nan 8.150 nan 0.000 0.413 245 G N 0.053 108.848 108.800 -0.008 0.000 2.483 245 G HA2 0.392 3.981 3.960 -0.620 0.000 0.248 245 G HA3 0.392 3.981 3.960 -0.620 0.000 0.248 245 G C 0.486 175.372 174.900 -0.025 0.000 1.248 245 G CA 0.516 45.602 45.100 -0.023 0.000 0.838 245 G HN 0.996 nan 8.290 nan 0.000 0.566 246 D N 0.952 121.329 120.400 -0.038 0.000 2.133 246 D HA -0.243 4.025 4.640 -0.620 0.000 0.192 246 D C 1.847 178.127 176.300 -0.033 0.000 1.001 246 D CA 1.545 55.531 54.000 -0.024 0.000 0.844 246 D CB -0.048 40.742 40.800 -0.017 0.000 0.944 246 D HN 0.323 nan 8.370 nan 0.000 0.447 247 Q N -0.179 119.561 119.800 -0.100 0.000 2.119 247 Q HA -0.090 3.878 4.340 -0.620 0.000 0.201 247 Q C 2.310 178.319 176.000 0.016 0.000 0.972 247 Q CA 1.335 57.096 55.803 -0.069 0.000 0.847 247 Q CB -0.394 28.232 28.738 -0.186 0.000 0.903 247 Q HN 0.501 nan 8.270 nan 0.000 0.433 248 Q N 0.342 120.161 119.800 0.033 0.000 2.083 248 Q HA 0.030 3.998 4.340 -0.620 0.000 0.198 248 Q C 2.011 178.089 176.000 0.130 0.000 0.969 248 Q CA 1.513 57.385 55.803 0.115 0.000 0.838 248 Q CB -0.395 28.418 28.738 0.125 0.000 0.900 248 Q HN 0.409 nan 8.270 nan 0.000 0.436 249 A N 0.623 123.487 122.820 0.074 0.000 1.933 249 A HA -0.091 3.857 4.320 -0.620 0.000 0.218 249 A C 2.204 179.838 177.584 0.084 0.000 1.175 249 A CA 1.608 53.688 52.037 0.073 0.000 0.628 249 A CB -0.837 18.183 19.000 0.032 0.000 0.814 249 A HN 0.372 nan 8.150 nan 0.000 0.444 250 A N -0.928 121.927 122.820 0.057 0.000 2.066 250 A HA 0.115 4.064 4.320 -0.620 0.000 0.218 250 A C 2.030 179.635 177.584 0.034 0.000 1.157 250 A CA 1.438 53.498 52.037 0.039 0.000 0.670 250 A CB -0.408 18.616 19.000 0.040 0.000 0.804 250 A HN 0.579 nan 8.150 nan 0.000 0.453 251 L N -2.049 119.218 121.223 0.073 0.000 2.072 251 L HA 0.069 4.037 4.340 -0.620 0.000 0.205 251 L C 2.092 178.968 176.870 0.010 0.000 1.079 251 L CA 1.760 56.639 54.840 0.065 0.000 0.752 251 L CB -0.667 41.487 42.059 0.159 0.000 0.906 251 L HN 0.367 nan 8.230 nan 0.000 0.436 252 F N 0.337 120.233 119.950 -0.089 0.000 2.113 252 F HA 0.002 4.145 4.527 -0.640 0.000 0.297 252 F C 2.305 178.049 175.800 -0.093 0.000 1.103 252 F CA 1.636 59.555 58.000 -0.135 0.000 1.248 252 F CB -0.931 38.010 39.000 -0.099 0.000 0.999 252 F HN 0.149 nan 8.300 nan 0.000 0.475 253 G N -0.705 108.134 108.800 0.064 0.000 2.469 253 G HA2 -0.261 3.327 3.960 -0.620 0.000 0.220 253 G HA3 -0.261 3.327 3.960 -0.620 0.000 0.220 253 G C 1.464 176.299 174.900 -0.107 0.000 1.136 253 G CA 0.624 45.687 45.100 -0.063 0.000 0.759 253 G HN 0.340 nan 8.290 nan 0.000 0.562 254 Q N -0.525 119.186 119.800 -0.150 0.000 2.515 254 Q HA 0.132 4.101 4.340 -0.620 0.000 0.212 254 Q C 1.127 176.910 176.000 -0.362 0.000 0.970 254 Q CA 0.113 55.807 55.803 -0.182 0.000 0.941 254 Q CB -0.184 28.482 28.738 -0.119 0.000 0.998 254 Q HN 0.633 nan 8.270 nan 0.000 0.518 255 M N -0.789 118.416 119.600 -0.657 0.000 2.360 255 M HA -0.230 3.878 4.480 -0.620 0.000 0.202 255 M C -0.151 175.436 176.300 -1.187 0.000 0.390 255 M CA 0.638 55.117 55.300 -1.368 0.000 0.470 255 M CB -1.846 30.270 32.600 -0.806 0.000 1.637 255 M HN 0.108 nan 8.290 nan 0.000 0.885 256 A N -0.234 122.104 122.820 -0.803 0.000 3.126 256 A HA 0.516 4.464 4.320 -0.620 0.000 0.268 256 A C 0.553 178.007 177.584 -0.216 0.000 1.605 256 A CA -0.450 51.369 52.037 -0.364 0.000 1.305 256 A CB -0.585 18.331 19.000 -0.140 0.000 1.160 256 A HN 0.481 nan 8.150 nan 0.000 0.609 257 F N 0.211 120.114 119.950 -0.078 0.000 2.335 257 F HA 0.085 4.235 4.527 -0.628 0.000 0.296 257 F C 1.102 176.919 175.800 0.028 0.000 1.091 257 F CA 0.268 58.240 58.000 -0.046 0.000 1.399 257 F CB -0.066 38.832 39.000 -0.171 0.000 1.067 257 F HN 0.291 nan 8.300 nan 0.000 0.520 258 E N 1.619 121.926 120.200 0.179 0.000 2.283 258 E HA 0.063 4.041 4.350 -0.620 0.000 0.278 258 E C 0.066 176.740 176.600 0.123 0.000 1.027 258 E CA -0.460 56.026 56.400 0.143 0.000 0.843 258 E CB 0.993 30.748 29.700 0.092 0.000 1.062 258 E HN 0.108 nan 8.360 nan 0.000 0.401 259 K N 0.447 120.928 120.400 0.135 0.000 2.561 259 K HA -0.049 3.900 4.320 -0.620 0.000 0.280 259 K C 0.904 177.549 176.600 0.075 0.000 0.975 259 K CA 1.304 57.659 56.287 0.112 0.000 1.024 259 K CB 0.013 32.572 32.500 0.098 0.000 0.883 259 K HN 0.700 nan 8.250 nan 0.000 0.496 260 G N 3.093 111.933 108.800 0.067 0.000 2.241 260 G HA2 -0.280 3.308 3.960 -0.620 0.000 0.244 260 G HA3 -0.280 3.308 3.960 -0.620 0.000 0.244 260 G C 0.157 175.078 174.900 0.036 0.000 0.998 260 G CA 0.262 45.390 45.100 0.046 0.000 0.621 260 G HN 0.568 nan 8.290 nan 0.000 0.519 261 M N 0.903 120.525 119.600 0.036 0.000 2.200 261 M HA 0.585 4.694 4.480 -0.620 0.000 0.355 261 M C 0.253 176.564 176.300 0.018 0.000 1.283 261 M CA 0.300 55.608 55.300 0.012 0.000 1.124 261 M CB 1.272 33.863 32.600 -0.014 0.000 1.625 261 M HN 0.337 nan 8.290 nan 0.000 0.463 262 I N 4.022 124.597 120.570 0.008 0.000 2.647 262 I HA 0.617 4.415 4.170 -0.620 0.000 0.295 262 I C -1.302 174.817 176.117 0.002 0.000 1.078 262 I CA -0.725 60.583 61.300 0.013 0.000 1.048 262 I CB 1.786 39.796 38.000 0.016 0.000 1.239 262 I HN 0.700 nan 8.210 nan 0.000 0.421 263 K N 4.363 124.765 120.400 0.004 0.000 2.512 263 K HA 0.561 4.509 4.320 -0.620 0.000 0.263 263 K C -1.583 175.001 176.600 -0.027 0.000 0.966 263 K CA -0.777 55.508 56.287 -0.004 0.000 0.851 263 K CB 1.316 33.813 32.500 -0.005 0.000 1.395 263 K HN 0.402 nan 8.250 nan 0.000 0.440 264 N N -0.032 118.628 118.700 -0.068 0.000 2.296 264 N HA 0.432 4.801 4.740 -0.620 0.000 0.294 264 N C -1.568 173.785 175.510 -0.263 0.000 1.033 264 N CA -0.434 52.480 53.050 -0.226 0.000 0.839 264 N CB 2.166 40.422 38.487 -0.385 0.000 1.395 264 N HN 0.657 nan 8.380 nan 0.000 0.479 265 T N 3.924 118.342 114.554 -0.226 0.000 2.874 265 T HA 0.270 4.249 4.350 -0.620 0.000 0.321 265 T C -0.705 173.916 174.700 -0.133 0.000 1.075 265 T CA -0.189 61.863 62.100 -0.079 0.000 0.966 265 T CB -0.427 68.481 68.868 0.066 0.000 1.001 265 T HN 0.272 nan 8.240 nan 0.000 0.476 266 Y N 2.507 122.835 120.300 0.047 0.000 2.539 266 Y HA 0.516 4.696 4.550 -0.617 0.000 0.352 266 Y C 1.176 177.116 175.900 0.067 0.000 1.004 266 Y CA -0.124 57.992 58.100 0.027 0.000 1.278 266 Y CB 0.424 38.884 38.460 0.001 0.000 1.136 266 Y HN 0.807 nan 8.280 nan 0.000 0.528 267 G N 0.585 109.503 108.800 0.197 0.000 3.187 267 G HA2 0.093 3.681 3.960 -0.620 0.000 0.175 267 G HA3 0.093 3.681 3.960 -0.620 0.000 0.175 267 G C 0.731 175.764 174.900 0.221 0.000 1.112 267 G CA -0.253 44.972 45.100 0.208 0.000 0.821 267 G HN 0.296 nan 8.290 nan 0.000 0.636 268 T N 0.375 115.099 114.554 0.283 0.000 2.665 268 T HA 0.097 4.075 4.350 -0.620 0.000 0.268 268 T C 1.202 176.106 174.700 0.341 0.000 1.035 268 T CA 1.909 64.214 62.100 0.341 0.000 1.151 268 T CB -0.516 68.640 68.868 0.481 0.000 0.862 268 T HN 0.738 nan 8.240 nan 0.000 0.438 269 G N -0.705 108.292 108.800 0.328 0.000 2.735 269 G HA2 0.690 4.279 3.960 -0.620 0.000 0.301 269 G HA3 0.690 4.279 3.960 -0.620 0.000 0.301 269 G C -1.582 173.146 174.900 -0.287 0.000 1.279 269 G CA -0.312 44.815 45.100 0.045 0.000 1.019 269 G HN 0.438 nan 8.290 nan 0.000 0.497 270 A N -0.670 121.693 122.820 -0.761 0.000 2.371 270 A HA 0.816 4.764 4.320 -0.620 0.000 0.311 270 A C -1.734 175.190 177.584 -1.100 0.000 1.068 270 A CA -0.559 51.078 52.037 -0.666 0.000 0.744 270 A CB 0.954 19.704 19.000 -0.416 0.000 1.239 270 A HN 0.536 nan 8.150 nan 0.000 0.435 271 F N 3.259 123.077 119.950 -0.220 0.000 2.612 271 F HA 0.402 4.559 4.527 -0.617 0.000 0.332 271 F C -0.207 175.503 175.800 -0.151 0.000 1.167 271 F CA -0.830 57.074 58.000 -0.161 0.000 0.970 271 F CB 1.594 40.531 39.000 -0.105 0.000 1.234 271 F HN 0.303 nan 8.300 nan 0.000 0.453 272 I N 4.388 124.959 120.570 0.002 0.000 2.416 272 I HA 0.406 4.205 4.170 -0.620 0.000 0.288 272 I C -0.108 176.050 176.117 0.069 0.000 1.051 272 I CA -0.779 60.516 61.300 -0.007 0.000 1.375 272 I CB 0.654 38.640 38.000 -0.024 0.000 1.407 272 I HN 0.206 nan 8.210 nan 0.000 0.516 273 V N 7.366 127.316 119.914 0.060 0.000 2.623 273 V HA 0.483 4.231 4.120 -0.620 0.000 0.304 273 V C -0.188 175.948 176.094 0.069 0.000 1.054 273 V CA -0.623 61.727 62.300 0.084 0.000 0.882 273 V CB 2.316 34.196 31.823 0.094 0.000 1.002 273 V HN 0.793 nan 8.190 nan 0.000 0.424 274 M N 4.240 123.887 119.600 0.078 0.000 2.383 274 M HA 0.553 4.661 4.480 -0.620 0.000 0.325 274 M C -0.584 175.771 176.300 0.091 0.000 1.092 274 M CA -0.474 54.869 55.300 0.071 0.000 0.961 274 M CB 1.663 34.300 32.600 0.060 0.000 1.672 274 M HN 0.730 nan 8.290 nan 0.000 0.438 275 N N 2.158 120.917 118.700 0.097 0.000 2.470 275 N HA 0.128 4.496 4.740 -0.620 0.000 0.268 275 N C 0.364 175.941 175.510 0.112 0.000 1.136 275 N CA 0.390 53.513 53.050 0.122 0.000 0.961 275 N CB 1.292 39.870 38.487 0.150 0.000 1.067 275 N HN 0.840 nan 8.380 nan 0.000 0.468 276 T N 0.432 115.057 114.554 0.119 0.000 3.023 276 T HA 0.384 4.362 4.350 -0.620 0.000 0.249 276 T C 1.069 175.835 174.700 0.110 0.000 1.050 276 T CA 0.502 62.664 62.100 0.103 0.000 1.088 276 T CB 0.148 69.072 68.868 0.093 0.000 0.946 276 T HN 0.684 nan 8.240 nan 0.000 0.480 277 G N 1.420 110.308 108.800 0.148 0.000 2.358 277 G HA2 -0.110 3.478 3.960 -0.620 0.000 0.198 277 G HA3 -0.110 3.478 3.960 -0.620 0.000 0.198 277 G C -0.195 174.700 174.900 -0.008 0.000 1.220 277 G CA -0.074 45.107 45.100 0.135 0.000 1.187 277 G HN 0.235 nan 8.290 nan 0.000 0.544 278 E N 0.894 121.031 120.200 -0.104 0.000 2.474 278 E HA 0.178 4.156 4.350 -0.620 0.000 0.195 278 E C -0.290 176.337 176.600 0.045 0.000 1.039 278 E CA 0.231 56.525 56.400 -0.178 0.000 0.881 278 E CB 0.508 30.039 29.700 -0.281 0.000 0.970 278 E HN 0.324 nan 8.360 nan 0.000 0.486 279 E N 1.113 121.344 120.200 0.052 0.000 2.210 279 E HA 0.316 4.294 4.350 -0.620 0.000 0.266 279 E C -2.406 174.102 176.600 -0.153 0.000 0.883 279 E CA -2.496 53.877 56.400 -0.046 0.000 0.761 279 E CB 1.584 31.254 29.700 -0.050 0.000 1.156 279 E HN -0.103 nan 8.360 nan 0.000 0.412 280 P HA 0.005 nan 4.420 nan 0.000 0.278 280 P C -0.348 176.831 177.300 -0.202 0.000 1.270 280 P CA 0.008 62.773 63.100 -0.558 0.000 0.800 280 P CB 0.601 31.839 31.700 -0.770 0.000 1.142 281 Q N -0.421 119.304 119.800 -0.126 0.000 2.345 281 Q HA 0.296 4.264 4.340 -0.620 0.000 0.268 281 Q C 1.026 177.026 176.000 -0.000 0.000 1.054 281 Q CA -0.713 55.069 55.803 -0.036 0.000 0.835 281 Q CB 1.538 30.278 28.738 0.003 0.000 1.339 281 Q HN 0.297 nan 8.270 nan 0.000 0.447 282 L N 0.389 121.616 121.223 0.007 0.000 2.056 282 L HA -0.141 3.828 4.340 -0.620 0.000 0.207 282 L C 1.610 178.500 176.870 0.033 0.000 1.078 282 L CA 0.695 55.546 54.840 0.018 0.000 0.749 282 L CB -0.431 41.633 42.059 0.009 0.000 0.901 282 L HN 0.612 nan 8.230 nan 0.000 0.433 283 S N -0.204 115.516 115.700 0.033 0.000 3.552 283 S HA -0.222 3.876 4.470 -0.620 0.000 0.476 283 S C 0.654 175.285 174.600 0.052 0.000 1.271 283 S CA 0.882 59.106 58.200 0.040 0.000 2.863 283 S CB -0.226 63.001 63.200 0.046 0.000 1.787 283 S HN 0.518 nan 8.310 nan 0.000 0.293 284 D N 0.118 120.560 120.400 0.070 0.000 4.510 284 D HA -0.242 4.026 4.640 -0.620 0.000 0.134 284 D C 0.823 177.141 176.300 0.031 0.000 0.756 284 D CA 1.477 55.526 54.000 0.082 0.000 1.077 284 D CB -1.485 39.394 40.800 0.133 0.000 0.597 284 D HN 0.699 nan 8.370 nan 0.000 0.579 285 N N 0.125 118.791 118.700 -0.057 0.000 2.640 285 N HA -0.326 4.042 4.740 -0.620 0.000 0.230 285 N C 0.153 175.648 175.510 -0.026 0.000 0.779 285 N CA 2.727 55.727 53.050 -0.084 0.000 1.874 285 N CB -1.261 37.201 38.487 -0.042 0.000 0.895 285 N HN 0.551 nan 8.380 nan 0.000 0.574 286 D N 0.061 120.495 120.400 0.057 0.000 2.510 286 D HA 0.427 4.695 4.640 -0.620 0.000 0.234 286 D C 0.943 177.449 176.300 0.343 0.000 1.178 286 D CA 0.017 54.124 54.000 0.179 0.000 0.816 286 D CB 0.902 41.786 40.800 0.140 0.000 1.143 286 D HN 0.318 nan 8.370 nan 0.000 0.526 287 L N -0.279 121.083 121.223 0.232 0.000 2.664 287 L HA 0.587 4.555 4.340 -0.620 0.000 0.253 287 L C -0.293 176.731 176.870 0.257 0.000 1.293 287 L CA -0.975 54.051 54.840 0.310 0.000 1.280 287 L CB 1.005 43.187 42.059 0.205 0.000 1.993 287 L HN -0.315 nan 8.230 nan 0.000 0.577 288 L N -0.659 120.726 121.223 0.270 0.000 2.388 288 L HA 0.505 4.474 4.340 -0.620 0.000 0.264 288 L C -0.966 175.998 176.870 0.157 0.000 0.998 288 L CA -0.411 54.562 54.840 0.221 0.000 0.817 288 L CB 2.359 44.612 42.059 0.322 0.000 1.338 288 L HN 0.451 nan 8.230 nan 0.000 0.414 289 T N 0.654 115.261 114.554 0.089 0.000 2.779 289 T HA 0.586 4.564 4.350 -0.620 0.000 0.280 289 T C -0.391 174.326 174.700 0.028 0.000 0.987 289 T CA -0.269 61.855 62.100 0.040 0.000 0.966 289 T CB 1.701 70.546 68.868 -0.039 0.000 0.933 289 T HN 0.666 nan 8.240 nan 0.000 0.442 290 T N 2.055 116.662 114.554 0.088 0.000 2.762 290 T HA 0.567 4.545 4.350 -0.620 0.000 0.301 290 T C -1.263 173.539 174.700 0.170 0.000 1.299 290 T CA -0.669 61.495 62.100 0.106 0.000 1.005 290 T CB 0.860 69.776 68.868 0.080 0.000 1.377 290 T HN 0.462 nan 8.240 nan 0.000 0.504 291 I N 3.050 123.682 120.570 0.104 0.000 2.308 291 I HA 0.280 4.078 4.170 -0.620 0.000 0.293 291 I C 1.737 177.848 176.117 -0.010 0.000 1.078 291 I CA -0.140 61.136 61.300 -0.040 0.000 1.292 291 I CB 1.008 38.952 38.000 -0.093 0.000 1.423 291 I HN 0.924 nan 8.210 nan 0.000 0.493 292 G N 7.076 115.854 108.800 -0.037 0.000 2.484 292 G HA2 -0.146 3.442 3.960 -0.620 0.000 0.215 292 G HA3 -0.146 3.442 3.960 -0.620 0.000 0.215 292 G C 0.060 175.064 174.900 0.174 0.000 1.219 292 G CA 1.009 46.151 45.100 0.069 0.000 0.791 292 G HN 0.686 nan 8.290 nan 0.000 0.550 293 Y N -3.604 116.745 120.300 0.082 0.000 2.641 293 Y HA 0.609 4.838 4.550 -0.535 0.000 0.333 293 Y C -0.441 175.545 175.900 0.144 0.000 1.174 293 Y CA -1.497 56.654 58.100 0.085 0.000 1.057 293 Y CB 0.789 39.280 38.460 0.052 0.000 1.322 293 Y HN 0.270 nan 8.280 nan 0.000 0.457 294 G N 2.508 111.526 108.800 0.364 0.000 2.660 294 G HA2 0.638 4.226 3.960 -0.620 0.000 0.305 294 G HA3 0.638 4.226 3.960 -0.620 0.000 0.305 294 G C -1.805 173.292 174.900 0.328 0.000 1.329 294 G CA -0.675 44.649 45.100 0.374 0.000 1.000 294 G HN 0.905 nan 8.290 nan 0.000 0.514 295 I N 1.211 121.991 120.570 0.350 0.000 3.191 295 I HA 0.396 4.194 4.170 -0.620 0.000 0.313 295 I C -0.445 175.802 176.117 0.216 0.000 1.193 295 I CA -1.075 60.358 61.300 0.221 0.000 0.968 295 I CB 2.130 40.229 38.000 0.165 0.000 1.262 295 I HN 0.483 nan 8.210 nan 0.000 0.456 296 N N 3.843 122.620 118.700 0.128 0.000 2.716 296 N HA -0.218 4.150 4.740 -0.620 0.000 0.250 296 N C 0.776 176.348 175.510 0.103 0.000 1.033 296 N CA 1.292 54.404 53.050 0.104 0.000 0.727 296 N CB -1.188 37.364 38.487 0.107 0.000 0.950 296 N HN 1.132 nan 8.380 nan 0.000 0.541 297 G N -1.566 107.291 108.800 0.095 0.000 2.257 297 G HA2 -0.390 3.198 3.960 -0.620 0.000 0.267 297 G HA3 -0.390 3.198 3.960 -0.620 0.000 0.267 297 G C 0.282 175.216 174.900 0.056 0.000 0.984 297 G CA 1.326 46.469 45.100 0.073 0.000 0.626 297 G HN 0.576 nan 8.290 nan 0.000 0.540 298 K N -0.784 119.660 120.400 0.073 0.000 2.267 298 K HA 0.765 4.713 4.320 -0.620 0.000 0.236 298 K C -0.626 175.928 176.600 -0.076 0.000 1.030 298 K CA -0.806 55.456 56.287 -0.042 0.000 0.930 298 K CB 2.450 34.885 32.500 -0.108 0.000 1.182 298 K HN 0.070 nan 8.250 nan 0.000 0.474 299 V N 2.067 121.784 119.914 -0.328 0.000 2.482 299 V HA 0.270 4.018 4.120 -0.620 0.000 0.295 299 V C -1.574 174.100 176.094 -0.699 0.000 1.026 299 V CA -0.847 61.189 62.300 -0.440 0.000 0.856 299 V CB 0.826 32.293 31.823 -0.594 0.000 1.001 299 V HN 0.566 nan 8.190 nan 0.000 0.424 300 Y N 4.127 124.084 120.300 -0.572 0.000 2.330 300 Y HA 0.636 5.061 4.550 -0.209 0.000 0.336 300 Y C -0.116 175.393 175.900 -0.651 0.000 1.036 300 Y CA -0.425 57.324 58.100 -0.586 0.000 1.125 300 Y CB 1.235 39.203 38.460 -0.820 0.000 1.194 300 Y HN 0.527 nan 8.280 nan 0.000 0.469 301 Y N 1.156 121.385 120.300 -0.117 0.000 2.519 301 Y HA 0.780 5.025 4.550 -0.510 0.000 0.324 301 Y C 0.213 176.093 175.900 -0.033 0.000 1.214 301 Y CA -0.941 57.102 58.100 -0.094 0.000 1.260 301 Y CB 1.432 39.818 38.460 -0.124 0.000 1.311 301 Y HN 0.622 nan 8.280 nan 0.000 0.505 302 A N 0.665 123.593 122.820 0.180 0.000 2.569 302 A HA 0.746 4.694 4.320 -0.620 0.000 0.290 302 A C -2.097 175.559 177.584 0.120 0.000 1.136 302 A CA -0.797 51.318 52.037 0.130 0.000 0.710 302 A CB 1.487 20.558 19.000 0.117 0.000 1.303 302 A HN 0.687 nan 8.150 nan 0.000 0.413 303 L N 1.308 122.596 121.223 0.110 0.000 2.316 303 L HA 0.474 4.442 4.340 -0.620 0.000 0.280 303 L C -0.217 176.730 176.870 0.128 0.000 1.006 303 L CA -0.167 54.740 54.840 0.111 0.000 0.836 303 L CB 1.384 43.497 42.059 0.091 0.000 1.221 303 L HN 0.958 nan 8.230 nan 0.000 0.418 304 E N 2.381 122.680 120.200 0.165 0.000 2.202 304 E HA 0.631 4.609 4.350 -0.620 0.000 0.272 304 E C -0.588 176.150 176.600 0.230 0.000 0.951 304 E CA -0.669 55.850 56.400 0.199 0.000 0.813 304 E CB 2.085 31.927 29.700 0.237 0.000 1.151 304 E HN 0.666 nan 8.360 nan 0.000 0.398 305 G N 1.510 110.426 108.800 0.193 0.000 2.644 305 G HA2 0.379 3.967 3.960 -0.620 0.000 0.300 305 G HA3 0.379 3.967 3.960 -0.620 0.000 0.300 305 G C -1.086 173.853 174.900 0.066 0.000 1.395 305 G CA -0.452 44.723 45.100 0.124 0.000 0.964 305 G HN 0.360 nan 8.290 nan 0.000 0.511 306 S N 1.328 117.005 115.700 -0.039 0.000 2.442 306 S HA 0.528 4.626 4.470 -0.620 0.000 0.297 306 S C -0.037 174.056 174.600 -0.845 0.000 1.131 306 S CA -0.395 57.601 58.200 -0.340 0.000 1.092 306 S CB 1.037 64.072 63.200 -0.275 0.000 0.998 306 S HN 0.494 nan 8.310 nan 0.000 0.478 307 I N 4.120 124.112 120.570 -0.964 0.000 2.595 307 I HA 0.214 4.013 4.170 -0.620 0.000 0.275 307 I C -0.055 175.677 176.117 -0.641 0.000 1.092 307 I CA -0.386 60.486 61.300 -0.715 0.000 1.145 307 I CB 0.479 38.205 38.000 -0.455 0.000 1.276 307 I HN 0.565 nan 8.210 nan 0.000 0.497 308 F N 3.459 123.303 119.950 -0.177 0.000 2.115 308 F HA -0.156 3.999 4.527 -0.620 0.000 0.300 308 F C 1.268 177.162 175.800 0.158 0.000 1.092 308 F CA 1.001 59.063 58.000 0.104 0.000 1.245 308 F CB -0.425 38.624 39.000 0.081 0.000 0.995 308 F HN 0.099 nan 8.300 nan 0.000 0.481 309 V N -0.217 119.800 119.914 0.171 0.000 2.313 309 V HA 0.686 4.434 4.120 -0.620 0.000 0.278 309 V C 0.265 176.385 176.094 0.044 0.000 1.017 309 V CA 0.068 62.435 62.300 0.112 0.000 0.823 309 V CB 0.552 32.353 31.823 -0.037 0.000 1.010 309 V HN 0.259 nan 8.190 nan 0.000 0.443 310 A N 4.249 127.127 122.820 0.097 0.000 1.780 310 A HA 0.548 4.497 4.320 -0.620 0.000 0.178 310 A C 1.926 179.591 177.584 0.135 0.000 2.054 310 A CA 0.793 52.880 52.037 0.084 0.000 1.289 310 A CB -0.754 18.285 19.000 0.065 0.000 0.942 310 A HN 0.740 nan 8.150 nan 0.000 0.659 311 G N 0.667 109.566 108.800 0.165 0.000 2.422 311 G HA2 -0.155 3.434 3.960 -0.620 0.000 0.218 311 G HA3 -0.155 3.434 3.960 -0.620 0.000 0.218 311 G C 1.794 176.815 174.900 0.203 0.000 1.146 311 G CA 2.112 47.315 45.100 0.173 0.000 0.769 311 G HN 1.100 nan 8.290 nan 0.000 0.547 312 S N 0.974 116.817 115.700 0.238 0.000 2.465 312 S HA 0.108 4.206 4.470 -0.620 0.000 0.241 312 S C 2.407 177.220 174.600 0.355 0.000 1.000 312 S CA 1.406 59.769 58.200 0.272 0.000 0.964 312 S CB -0.261 63.106 63.200 0.279 0.000 0.763 312 S HN 0.585 nan 8.310 nan 0.000 0.512 313 A N 2.120 125.139 122.820 0.333 0.000 1.897 313 A HA 0.160 4.109 4.320 -0.620 0.000 0.215 313 A C 2.151 179.998 177.584 0.437 0.000 1.181 313 A CA 1.118 53.422 52.037 0.444 0.000 0.620 313 A CB -0.501 18.639 19.000 0.234 0.000 0.821 313 A HN 0.500 nan 8.150 nan 0.000 0.443 314 I N 0.153 120.886 120.570 0.272 0.000 2.315 314 I HA -0.221 3.577 4.170 -0.620 0.000 0.248 314 I C 2.528 178.754 176.117 0.183 0.000 1.117 314 I CA 1.554 62.974 61.300 0.199 0.000 1.404 314 I CB -1.504 36.573 38.000 0.129 0.000 1.071 314 I HN 0.535 nan 8.210 nan 0.000 0.419 315 Q N -0.380 119.541 119.800 0.201 0.000 2.170 315 Q HA -0.262 3.706 4.340 -0.620 0.000 0.203 315 Q C 2.300 178.405 176.000 0.176 0.000 0.976 315 Q CA 1.786 57.685 55.803 0.160 0.000 0.858 315 Q CB -0.216 28.622 28.738 0.167 0.000 0.907 315 Q HN 0.575 nan 8.270 nan 0.000 0.433 316 W N 0.797 122.140 121.300 0.072 0.000 2.388 316 W HA -0.113 4.175 4.660 -0.619 0.000 0.294 316 W C 1.438 177.974 176.519 0.030 0.000 1.212 316 W CA 1.084 58.434 57.345 0.009 0.000 1.271 316 W CB -0.325 29.151 29.460 0.026 0.000 1.126 316 W HN 0.096 nan 8.180 nan 0.000 0.535 317 L N 0.425 121.648 121.223 0.000 0.000 2.131 317 L HA -0.189 3.780 4.340 -0.620 0.000 0.210 317 L C 2.809 179.556 176.870 -0.205 0.000 1.092 317 L CA 1.738 56.462 54.840 -0.194 0.000 0.759 317 L CB -0.840 41.240 42.059 0.035 0.000 0.903 317 L HN 0.020 nan 8.230 nan 0.000 0.435 318 R N -0.140 120.302 120.500 -0.097 0.000 2.066 318 R HA -0.093 3.875 4.340 -0.620 0.000 0.224 318 R C 1.583 177.817 176.300 -0.109 0.000 1.122 318 R CA 1.338 57.388 56.100 -0.083 0.000 0.974 318 R CB 0.135 30.421 30.300 -0.023 0.000 0.871 318 R HN 0.284 nan 8.270 nan 0.000 0.435 319 D N -1.052 119.289 120.400 -0.099 0.000 2.240 319 D HA 0.027 4.295 4.640 -0.620 0.000 0.206 319 D C 1.483 177.687 176.300 -0.159 0.000 0.963 319 D CA 1.133 55.077 54.000 -0.094 0.000 0.863 319 D CB 0.067 40.846 40.800 -0.035 0.000 0.973 319 D HN 0.420 nan 8.370 nan 0.000 0.501 320 G N 0.560 109.181 108.800 -0.298 0.000 2.564 320 G HA2 0.003 3.591 3.960 -0.620 0.000 0.212 320 G HA3 0.003 3.591 3.960 -0.620 0.000 0.212 320 G C 1.512 176.130 174.900 -0.469 0.000 1.199 320 G CA -0.143 44.719 45.100 -0.397 0.000 0.832 320 G HN 0.159 nan 8.290 nan 0.000 0.565 321 L N -0.453 120.328 121.223 -0.736 0.000 2.492 321 L HA 0.247 4.215 4.340 -0.620 0.000 0.223 321 L C 1.363 178.026 176.870 -0.346 0.000 1.132 321 L CA 0.036 54.550 54.840 -0.542 0.000 0.850 321 L CB -0.011 41.631 42.059 -0.695 0.000 0.966 321 L HN 0.203 nan 8.230 nan 0.000 0.454 322 R N -0.938 119.381 120.500 -0.300 0.000 3.741 322 R HA -0.262 3.706 4.340 -0.620 0.000 0.292 322 R C 1.365 177.558 176.300 -0.179 0.000 1.176 322 R CA 0.739 56.723 56.100 -0.194 0.000 0.794 322 R CB -1.719 28.490 30.300 -0.151 0.000 1.213 322 R HN 0.387 nan 8.270 nan 0.000 0.494 323 M N 0.647 120.117 119.600 -0.216 0.000 2.394 323 M HA 0.048 4.156 4.480 -0.620 0.000 0.264 323 M C 0.720 176.955 176.300 -0.108 0.000 1.073 323 M CA 1.307 56.502 55.300 -0.177 0.000 1.111 323 M CB 0.426 32.900 32.600 -0.211 0.000 1.401 323 M HN 0.331 nan 8.290 nan 0.000 0.448 324 I N -4.110 116.405 120.570 -0.092 0.000 2.828 324 I HA 0.354 4.152 4.170 -0.620 0.000 0.302 324 I C 0.015 176.101 176.117 -0.051 0.000 1.101 324 I CA -0.899 60.369 61.300 -0.054 0.000 1.031 324 I CB 1.712 39.695 38.000 -0.028 0.000 1.231 324 I HN -0.024 nan 8.210 nan 0.000 0.427 325 E N 1.578 121.756 120.200 -0.037 0.000 2.051 325 E HA -0.018 3.961 4.350 -0.620 0.000 0.189 325 E C 0.414 177.001 176.600 -0.022 0.000 0.979 325 E CA 1.534 57.915 56.400 -0.031 0.000 0.803 325 E CB 0.168 29.853 29.700 -0.025 0.000 0.761 325 E HN 0.851 nan 8.360 nan 0.000 0.451 326 T N -3.135 111.411 114.554 -0.013 0.000 2.903 326 T HA 0.303 4.281 4.350 -0.620 0.000 0.299 326 T C 0.739 175.442 174.700 0.005 0.000 1.093 326 T CA -0.674 61.424 62.100 -0.004 0.000 1.002 326 T CB 1.901 70.768 68.868 -0.001 0.000 1.127 326 T HN -0.203 nan 8.240 nan 0.000 0.488 327 S N 1.826 117.535 115.700 0.016 0.000 2.359 327 S HA -0.034 4.064 4.470 -0.620 0.000 0.223 327 S C -0.917 173.697 174.600 0.023 0.000 1.039 327 S CA 1.825 60.042 58.200 0.029 0.000 1.042 327 S CB -1.450 61.776 63.200 0.043 0.000 0.915 327 S HN 0.708 nan 8.310 nan 0.000 0.439 328 P HA -0.158 nan 4.420 nan 0.000 0.218 328 P C 1.401 178.705 177.300 0.006 0.000 1.146 328 P CA 1.056 64.164 63.100 0.013 0.000 0.813 328 P CB -0.069 31.639 31.700 0.012 0.000 0.778 329 Q N 0.273 120.075 119.800 0.003 0.000 2.291 329 Q HA -0.156 3.813 4.340 -0.620 0.000 0.206 329 Q C 1.915 177.914 176.000 -0.002 0.000 0.976 329 Q CA 1.698 57.500 55.803 -0.002 0.000 0.875 329 Q CB -0.408 28.326 28.738 -0.006 0.000 0.927 329 Q HN 0.291 nan 8.270 nan 0.000 0.450 330 S N -0.150 115.553 115.700 0.004 0.000 2.400 330 S HA -0.254 3.844 4.470 -0.620 0.000 0.232 330 S C 1.759 176.352 174.600 -0.010 0.000 1.025 330 S CA 1.362 59.565 58.200 0.005 0.000 0.993 330 S CB -0.333 62.878 63.200 0.019 0.000 0.808 330 S HN 0.571 nan 8.310 nan 0.000 0.478 331 E N 1.876 122.067 120.200 -0.015 0.000 2.047 331 E HA -0.231 3.747 4.350 -0.620 0.000 0.191 331 E C 2.211 178.794 176.600 -0.028 0.000 0.987 331 E CA 1.468 57.850 56.400 -0.029 0.000 0.799 331 E CB -0.183 29.502 29.700 -0.025 0.000 0.752 331 E HN 0.950 nan 8.360 nan 0.000 0.449 332 E N 0.364 120.554 120.200 -0.018 0.000 2.208 332 E HA -0.148 3.830 4.350 -0.620 0.000 0.193 332 E C 2.292 178.882 176.600 -0.017 0.000 0.988 332 E CA 0.571 56.962 56.400 -0.016 0.000 0.828 332 E CB -0.288 29.405 29.700 -0.011 0.000 0.763 332 E HN 0.278 nan 8.360 nan 0.000 0.478 333 L N 0.905 122.119 121.223 -0.015 0.000 2.027 333 L HA -0.130 3.838 4.340 -0.620 0.000 0.206 333 L C 2.763 179.622 176.870 -0.018 0.000 1.074 333 L CA 1.220 56.053 54.840 -0.012 0.000 0.745 333 L CB -0.531 41.525 42.059 -0.005 0.000 0.898 333 L HN 0.320 nan 8.230 nan 0.000 0.433 334 A N -0.104 122.699 122.820 -0.027 0.000 1.940 334 A HA -0.206 3.742 4.320 -0.620 0.000 0.219 334 A C 2.444 179.994 177.584 -0.058 0.000 1.176 334 A CA 1.712 53.720 52.037 -0.049 0.000 0.631 334 A CB -0.703 18.251 19.000 -0.075 0.000 0.814 334 A HN 0.447 nan 8.150 nan 0.000 0.446 335 A N -0.446 122.345 122.820 -0.048 0.000 2.070 335 A HA -0.130 3.818 4.320 -0.620 0.000 0.220 335 A C 1.937 179.503 177.584 -0.030 0.000 1.159 335 A CA 1.702 53.714 52.037 -0.042 0.000 0.656 335 A CB -0.331 18.651 19.000 -0.030 0.000 0.800 335 A HN 0.559 nan 8.150 nan 0.000 0.453 336 K N -0.178 120.207 120.400 -0.025 0.000 2.404 336 K HA 0.341 4.289 4.320 -0.620 0.000 0.194 336 K C 0.494 177.084 176.600 -0.018 0.000 1.023 336 K CA 0.211 56.488 56.287 -0.018 0.000 1.094 336 K CB 0.148 32.640 32.500 -0.014 0.000 0.841 336 K HN 0.406 nan 8.250 nan 0.000 0.523 337 A N 1.738 124.543 122.820 -0.025 0.000 2.520 337 A HA 0.028 3.976 4.320 -0.620 0.000 0.245 337 A C 0.617 178.189 177.584 -0.020 0.000 1.072 337 A CA 0.278 52.302 52.037 -0.023 0.000 0.761 337 A CB 0.292 19.270 19.000 -0.037 0.000 1.004 337 A HN 0.053 nan 8.150 nan 0.000 0.499 338 K N 2.468 122.861 120.400 -0.011 0.000 2.374 338 K HA 0.133 4.081 4.320 -0.620 0.000 0.202 338 K C 1.071 177.669 176.600 -0.003 0.000 1.040 338 K CA 0.596 56.879 56.287 -0.007 0.000 1.085 338 K CB 0.370 32.868 32.500 -0.003 0.000 0.873 338 K HN 0.799 nan 8.250 nan 0.000 0.539 339 G N 2.185 110.982 108.800 -0.005 0.000 2.732 339 G HA2 -0.070 3.518 3.960 -0.620 0.000 0.244 339 G HA3 -0.070 3.518 3.960 -0.620 0.000 0.244 339 G C 0.437 175.336 174.900 -0.002 0.000 1.226 339 G CA -0.242 44.857 45.100 -0.001 0.000 0.860 339 G HN 0.190 nan 8.290 nan 0.000 0.583 340 D N -0.430 119.974 120.400 0.006 0.000 2.352 340 D HA -0.080 4.189 4.640 -0.620 0.000 0.232 340 D C 0.768 177.075 176.300 0.011 0.000 1.055 340 D CA -0.018 53.991 54.000 0.015 0.000 0.891 340 D CB -0.042 40.772 40.800 0.025 0.000 0.897 340 D HN 0.354 nan 8.370 nan 0.000 0.529 341 N N 0.674 119.364 118.700 -0.017 0.000 2.776 341 N HA -0.143 4.225 4.740 -0.620 0.000 0.250 341 N C 0.359 175.816 175.510 -0.088 0.000 1.112 341 N CA 0.470 53.489 53.050 -0.053 0.000 0.733 341 N CB -0.623 37.860 38.487 -0.006 0.000 1.097 341 N HN 0.333 nan 8.380 nan 0.000 0.558 342 E N -0.743 119.427 120.200 -0.051 0.000 2.385 342 E HA 0.108 4.087 4.350 -0.620 0.000 0.194 342 E C 0.586 177.147 176.600 -0.066 0.000 1.013 342 E CA 0.206 56.603 56.400 -0.004 0.000 0.866 342 E CB 0.437 30.175 29.700 0.063 0.000 0.832 342 E HN 0.205 nan 8.360 nan 0.000 0.500 343 V N 1.836 121.668 119.914 -0.135 0.000 2.637 343 V HA -0.001 3.747 4.120 -0.620 0.000 0.296 343 V C -0.486 175.426 176.094 -0.304 0.000 1.046 343 V CA 0.236 62.477 62.300 -0.099 0.000 1.066 343 V CB -0.012 31.780 31.823 -0.053 0.000 0.968 343 V HN 0.050 nan 8.190 nan 0.000 0.483 344 Y N 2.463 122.822 120.300 0.098 0.000 2.373 344 Y HA 0.581 4.759 4.550 -0.620 0.000 0.336 344 Y C -0.171 175.799 175.900 0.117 0.000 0.979 344 Y CA -0.713 57.470 58.100 0.140 0.000 1.080 344 Y CB 2.198 40.726 38.460 0.114 0.000 1.190 344 Y HN 0.337 nan 8.280 nan 0.000 0.446 345 V N 4.624 124.675 119.914 0.229 0.000 2.417 345 V HA 0.459 4.207 4.120 -0.620 0.000 0.291 345 V C -0.683 175.542 176.094 0.218 0.000 1.024 345 V CA -0.881 61.475 62.300 0.094 0.000 0.861 345 V CB 1.747 33.509 31.823 -0.102 0.000 0.985 345 V HN 0.507 nan 8.190 nan 0.000 0.436 346 V N 7.523 127.500 119.914 0.106 0.000 2.250 346 V HA 0.290 4.038 4.120 -0.620 0.000 0.268 346 V C -1.750 174.280 176.094 -0.107 0.000 1.043 346 V CA -1.219 61.106 62.300 0.041 0.000 0.814 346 V CB 1.615 33.389 31.823 -0.081 0.000 1.072 346 V HN 0.793 nan 8.190 nan 0.000 0.451 347 P HA 0.090 nan 4.420 nan 0.000 0.261 347 P C 0.559 177.354 177.300 -0.840 0.000 1.650 347 P CA 0.038 62.695 63.100 -0.737 0.000 0.846 347 P CB 0.201 31.495 31.700 -0.676 0.000 1.758 348 A N 0.030 122.615 122.820 -0.393 0.000 3.029 348 A HA 0.121 4.069 4.320 -0.620 0.000 0.251 348 A C 0.865 178.374 177.584 -0.126 0.000 1.749 348 A CA -0.405 51.506 52.037 -0.209 0.000 1.386 348 A CB -1.568 17.377 19.000 -0.091 0.000 1.043 348 A HN 0.051 nan 8.150 nan 0.000 0.638 349 F N 0.505 120.393 119.950 -0.103 0.000 2.236 349 F HA -0.120 4.035 4.527 -0.620 0.000 0.302 349 F C 2.146 177.890 175.800 -0.093 0.000 1.073 349 F CA 1.837 59.748 58.000 -0.150 0.000 1.336 349 F CB -0.757 38.107 39.000 -0.227 0.000 1.040 349 F HN 0.495 nan 8.300 nan 0.000 0.507 350 T N -2.607 111.995 114.554 0.080 0.000 3.339 350 T HA 0.612 4.590 4.350 -0.620 0.000 0.292 350 T C 0.482 175.150 174.700 -0.052 0.000 1.012 350 T CA -0.040 62.057 62.100 -0.004 0.000 0.937 350 T CB -0.042 68.787 68.868 -0.066 0.000 1.164 350 T HN 0.499 nan 8.240 nan 0.000 0.509 351 G N 1.315 110.113 108.800 -0.003 0.000 2.663 351 G HA2 -0.002 3.586 3.960 -0.620 0.000 0.686 351 G HA3 -0.002 3.586 3.960 -0.620 0.000 0.686 351 G C -0.923 174.009 174.900 0.054 0.000 1.246 351 G CA -1.130 43.978 45.100 0.013 0.000 0.795 351 G HN 0.546 nan 8.290 nan 0.000 0.627 352 L N 1.541 122.802 121.223 0.063 0.000 2.371 352 L HA 0.594 4.562 4.340 -0.620 0.000 0.272 352 L C 1.681 178.608 176.870 0.096 0.000 1.124 352 L CA 0.300 55.189 54.840 0.081 0.000 0.816 352 L CB 0.970 43.036 42.059 0.012 0.000 1.129 352 L HN 0.987 nan 8.230 nan 0.000 0.448 353 G N 1.380 110.170 108.800 -0.016 0.000 2.666 353 G HA2 0.539 4.127 3.960 -0.620 0.000 0.207 353 G HA3 0.539 4.127 3.960 -0.620 0.000 0.207 353 G C -0.360 174.054 174.900 -0.811 0.000 1.481 353 G CA -0.182 44.587 45.100 -0.552 0.000 1.071 353 G HN 0.769 nan 8.290 nan 0.000 0.572 354 A N 0.574 122.824 122.820 -0.950 0.000 2.462 354 A HA 0.506 4.454 4.320 -0.620 0.000 0.243 354 A C -1.602 175.761 177.584 -0.370 0.000 1.076 354 A CA -0.745 50.972 52.037 -0.532 0.000 0.773 354 A CB 0.388 19.325 19.000 -0.106 0.000 1.010 354 A HN 0.393 nan 8.150 nan 0.000 0.493 355 P HA 0.199 nan 4.420 nan 0.000 0.257 355 P C -0.493 176.642 177.300 -0.276 0.000 1.737 355 P CA 0.187 63.131 63.100 -0.259 0.000 1.130 355 P CB -0.057 31.540 31.700 -0.172 0.000 1.572 356 Y N -1.844 118.462 120.300 0.010 0.000 2.266 356 Y HA 0.152 4.331 4.550 -0.618 0.000 0.294 356 Y C 0.806 176.842 175.900 0.225 0.000 1.127 356 Y CA 0.256 58.405 58.100 0.081 0.000 1.140 356 Y CB -0.932 37.528 38.460 0.001 0.000 1.071 356 Y HN -0.087 nan 8.280 nan 0.000 0.525 357 W N 1.737 123.207 121.300 0.283 0.000 5.963 357 W HA -0.229 4.059 4.660 -0.621 0.000 0.400 357 W C -0.540 176.092 176.519 0.189 0.000 1.530 357 W CA 0.558 58.045 57.345 0.237 0.000 1.004 357 W CB -1.243 28.336 29.460 0.199 0.000 2.706 357 W HN 0.088 nan 8.180 nan 0.000 1.495 358 D N 0.300 120.873 120.400 0.288 0.000 2.473 358 D HA 0.279 4.547 4.640 -0.620 0.000 0.226 358 D C 1.196 177.576 176.300 0.133 0.000 1.089 358 D CA 0.433 54.547 54.000 0.189 0.000 0.883 358 D CB 0.762 41.639 40.800 0.128 0.000 1.029 358 D HN 0.020 nan 8.370 nan 0.000 0.517 359 S N 2.746 118.528 115.700 0.135 0.000 2.555 359 S HA -0.070 4.029 4.470 -0.620 0.000 0.230 359 S C 1.116 175.746 174.600 0.050 0.000 0.978 359 S CA 0.328 58.576 58.200 0.080 0.000 0.934 359 S CB 0.075 63.326 63.200 0.086 0.000 0.766 359 S HN 0.361 nan 8.310 nan 0.000 0.533 360 E N 1.913 122.143 120.200 0.049 0.000 2.190 360 E HA 0.314 4.292 4.350 -0.620 0.000 0.191 360 E C 1.113 177.728 176.600 0.024 0.000 0.978 360 E CA 0.593 57.007 56.400 0.023 0.000 0.839 360 E CB -0.676 29.029 29.700 0.008 0.000 0.787 360 E HN 0.679 nan 8.360 nan 0.000 0.473 361 A N 2.392 125.232 122.820 0.034 0.000 2.520 361 A HA 0.177 4.125 4.320 -0.620 0.000 0.235 361 A C 0.458 178.078 177.584 0.059 0.000 1.065 361 A CA 0.223 52.286 52.037 0.043 0.000 0.764 361 A CB 0.344 19.346 19.000 0.003 0.000 1.002 361 A HN -0.083 nan 8.150 nan 0.000 0.502 362 R N 0.507 121.071 120.500 0.106 0.000 2.912 362 R HA 0.530 4.498 4.340 -0.620 0.000 0.262 362 R C 0.483 176.826 176.300 0.072 0.000 1.057 362 R CA -0.151 56.017 56.100 0.114 0.000 0.981 362 R CB 1.278 31.690 30.300 0.186 0.000 1.201 362 R HN 0.945 nan 8.270 nan 0.000 0.484 363 G N 0.015 108.856 108.800 0.067 0.000 2.414 363 G HA2 0.395 3.983 3.960 -0.620 0.000 0.236 363 G HA3 0.395 3.983 3.960 -0.620 0.000 0.236 363 G C -0.688 174.206 174.900 -0.011 0.000 1.293 363 G CA 0.319 45.410 45.100 -0.016 0.000 0.869 363 G HN 0.591 nan 8.290 nan 0.000 0.556 364 A N 0.911 123.703 122.820 -0.046 0.000 2.606 364 A HA 0.762 4.710 4.320 -0.620 0.000 0.293 364 A C -1.114 176.370 177.584 -0.167 0.000 1.082 364 A CA -0.515 51.438 52.037 -0.139 0.000 0.685 364 A CB 1.926 20.862 19.000 -0.106 0.000 1.284 364 A HN 1.238 nan 8.150 nan 0.000 0.408 365 V N 0.717 120.386 119.914 -0.409 0.000 2.709 365 V HA 0.762 4.510 4.120 -0.620 0.000 0.308 365 V C -1.254 174.476 176.094 -0.606 0.000 1.062 365 V CA -0.319 61.819 62.300 -0.271 0.000 0.901 365 V CB 1.463 33.251 31.823 -0.058 0.000 1.003 365 V HN 0.763 nan 8.190 nan 0.000 0.425 366 F N 0.697 120.665 119.950 0.029 0.000 2.613 366 F HA 0.744 4.899 4.527 -0.620 0.000 0.314 366 F C 0.973 176.822 175.800 0.080 0.000 1.075 366 F CA 0.041 58.062 58.000 0.035 0.000 0.945 366 F CB 2.223 41.226 39.000 0.005 0.000 1.310 366 F HN 0.725 nan 8.300 nan 0.000 0.467 367 G N 1.319 110.274 108.800 0.259 0.000 2.143 367 G HA2 -0.268 3.320 3.960 -0.620 0.000 0.248 367 G HA3 -0.268 3.320 3.960 -0.620 0.000 0.248 367 G C -0.282 174.686 174.900 0.113 0.000 0.991 367 G CA -0.351 44.857 45.100 0.181 0.000 0.689 367 G HN 0.536 nan 8.290 nan 0.000 0.522 368 L N 1.273 122.551 121.223 0.092 0.000 2.456 368 L HA 0.550 4.518 4.340 -0.620 0.000 0.272 368 L C 1.230 178.133 176.870 0.055 0.000 1.189 368 L CA 0.723 55.609 54.840 0.076 0.000 0.846 368 L CB 0.786 42.887 42.059 0.071 0.000 1.111 368 L HN 0.464 nan 8.230 nan 0.000 0.475 369 T N -1.486 113.097 114.554 0.048 0.000 2.838 369 T HA 0.294 4.272 4.350 -0.620 0.000 0.292 369 T C 0.627 175.342 174.700 0.024 0.000 1.113 369 T CA -0.970 61.150 62.100 0.033 0.000 1.008 369 T CB 1.691 70.578 68.868 0.032 0.000 1.259 369 T HN 0.535 nan 8.240 nan 0.000 0.520 370 R N -0.140 120.369 120.500 0.015 0.000 2.193 370 R HA -0.015 3.954 4.340 -0.620 0.000 0.229 370 R C 2.008 178.314 176.300 0.009 0.000 1.110 370 R CA 1.569 57.674 56.100 0.008 0.000 0.988 370 R CB -0.933 29.370 30.300 0.004 0.000 0.871 370 R HN 0.869 nan 8.270 nan 0.000 0.458 371 G N -0.290 108.518 108.800 0.014 0.000 2.712 371 G HA2 -0.056 3.533 3.960 -0.620 0.000 0.212 371 G HA3 -0.056 3.533 3.960 -0.620 0.000 0.212 371 G C 0.218 175.130 174.900 0.019 0.000 1.142 371 G CA -0.043 45.065 45.100 0.014 0.000 0.789 371 G HN 0.205 nan 8.290 nan 0.000 0.535 372 T N 1.925 116.497 114.554 0.031 0.000 2.829 372 T HA 0.375 4.354 4.350 -0.620 0.000 0.293 372 T C 0.753 175.478 174.700 0.041 0.000 0.970 372 T CA 0.528 62.658 62.100 0.050 0.000 1.168 372 T CB 0.880 69.798 68.868 0.084 0.000 0.911 372 T HN 0.358 nan 8.240 nan 0.000 0.535 373 T N 0.164 114.744 114.554 0.044 0.000 2.938 373 T HA 0.449 4.427 4.350 -0.620 0.000 0.285 373 T C 1.358 176.086 174.700 0.047 0.000 1.028 373 T CA -1.164 60.950 62.100 0.023 0.000 1.005 373 T CB 1.711 70.585 68.868 0.010 0.000 1.157 373 T HN 0.457 nan 8.240 nan 0.000 0.550 374 K N 0.375 120.779 120.400 0.007 0.000 2.044 374 K HA -0.251 3.698 4.320 -0.620 0.000 0.210 374 K C 1.812 178.457 176.600 0.074 0.000 1.049 374 K CA 2.232 58.526 56.287 0.012 0.000 0.927 374 K CB -0.345 32.137 32.500 -0.030 0.000 0.713 374 K HN 0.668 nan 8.250 nan 0.000 0.443 375 E N 1.329 121.552 120.200 0.038 0.000 2.033 375 E HA -0.210 3.768 4.350 -0.620 0.000 0.199 375 E C 1.851 178.477 176.600 0.043 0.000 1.011 375 E CA 1.897 58.314 56.400 0.028 0.000 0.815 375 E CB -0.397 29.306 29.700 0.004 0.000 0.755 375 E HN 0.412 nan 8.360 nan 0.000 0.451 376 D N -0.311 120.118 120.400 0.048 0.000 2.149 376 D HA -0.203 4.065 4.640 -0.620 0.000 0.194 376 D C 1.881 178.223 176.300 0.069 0.000 1.001 376 D CA 0.954 54.977 54.000 0.038 0.000 0.849 376 D CB -0.423 40.407 40.800 0.049 0.000 0.939 376 D HN 0.129 nan 8.370 nan 0.000 0.449 377 F N 1.381 121.321 119.950 -0.017 0.000 2.075 377 F HA -0.208 3.947 4.527 -0.619 0.000 0.297 377 F C 2.447 178.256 175.800 0.015 0.000 1.113 377 F CA 1.006 59.011 58.000 0.008 0.000 1.218 377 F CB -0.268 38.738 39.000 0.009 0.000 0.984 377 F HN -0.231 nan 8.300 nan 0.000 0.472 378 V N 0.781 120.826 119.914 0.218 0.000 2.343 378 V HA -0.320 3.428 4.120 -0.620 0.000 0.247 378 V C 2.501 178.592 176.094 -0.004 0.000 1.051 378 V CA 2.266 64.633 62.300 0.112 0.000 1.036 378 V CB -0.817 31.055 31.823 0.083 0.000 0.654 378 V HN 0.317 nan 8.190 nan 0.000 0.451 379 R N 0.456 120.930 120.500 -0.043 0.000 2.073 379 R HA -0.176 3.792 4.340 -0.620 0.000 0.234 379 R C 2.307 178.506 176.300 -0.168 0.000 1.134 379 R CA 1.818 57.841 56.100 -0.128 0.000 0.952 379 R CB -0.524 29.690 30.300 -0.144 0.000 0.850 379 R HN 0.453 nan 8.270 nan 0.000 0.433 380 A N 0.156 122.887 122.820 -0.148 0.000 1.883 380 A HA -0.153 3.796 4.320 -0.620 0.000 0.217 380 A C 2.212 179.740 177.584 -0.093 0.000 1.186 380 A CA 2.123 54.073 52.037 -0.145 0.000 0.624 380 A CB -1.047 17.838 19.000 -0.192 0.000 0.822 380 A HN 0.517 nan 8.150 nan 0.000 0.444 381 T N 0.396 114.879 114.554 -0.119 0.000 2.788 381 T HA -0.087 3.891 4.350 -0.620 0.000 0.268 381 T C 1.794 176.492 174.700 -0.003 0.000 1.044 381 T CA 1.427 63.506 62.100 -0.035 0.000 1.139 381 T CB -0.336 68.556 68.868 0.040 0.000 0.867 381 T HN 0.361 nan 8.240 nan 0.000 0.454 382 L N 0.656 121.850 121.223 -0.048 0.000 2.023 382 L HA -0.100 3.868 4.340 -0.620 0.000 0.205 382 L C 2.889 179.687 176.870 -0.119 0.000 1.073 382 L CA 1.333 56.128 54.840 -0.075 0.000 0.745 382 L CB -0.599 41.389 42.059 -0.119 0.000 0.900 382 L HN 0.290 nan 8.230 nan 0.000 0.435 383 Q N -0.103 119.575 119.800 -0.205 0.000 2.297 383 Q HA -0.217 3.751 4.340 -0.620 0.000 0.208 383 Q C 2.319 178.253 176.000 -0.111 0.000 0.981 383 Q CA 1.270 56.908 55.803 -0.276 0.000 0.876 383 Q CB -0.372 28.064 28.738 -0.504 0.000 0.921 383 Q HN 0.552 nan 8.270 nan 0.000 0.446 384 A N 0.766 123.601 122.820 0.024 0.000 1.903 384 A HA -0.219 3.729 4.320 -0.620 0.000 0.219 384 A C 2.301 179.806 177.584 -0.131 0.000 1.191 384 A CA 1.833 53.887 52.037 0.027 0.000 0.638 384 A CB -1.038 18.065 19.000 0.171 0.000 0.823 384 A HN 0.319 nan 8.150 nan 0.000 0.451 385 V N -0.464 119.421 119.914 -0.049 0.000 2.427 385 V HA -0.123 3.625 4.120 -0.620 0.000 0.248 385 V C 2.759 178.835 176.094 -0.030 0.000 1.051 385 V CA 2.199 64.491 62.300 -0.014 0.000 1.048 385 V CB -0.784 31.086 31.823 0.078 0.000 0.666 385 V HN 0.645 nan 8.190 nan 0.000 0.456 386 A N -0.932 121.835 122.820 -0.089 0.000 1.858 386 A HA -0.212 3.737 4.320 -0.620 0.000 0.216 386 A C 2.028 179.476 177.584 -0.228 0.000 1.190 386 A CA 2.208 54.166 52.037 -0.131 0.000 0.617 386 A CB -0.945 17.986 19.000 -0.114 0.000 0.827 386 A HN 0.627 nan 8.150 nan 0.000 0.443 387 Y N -0.388 119.708 120.300 -0.341 0.000 2.070 387 Y HA -0.261 3.917 4.550 -0.620 0.000 0.280 387 Y C 2.723 178.352 175.900 -0.452 0.000 1.148 387 Y CA 1.825 59.540 58.100 -0.643 0.000 1.125 387 Y CB -0.934 36.484 38.460 -1.736 0.000 0.975 387 Y HN 0.450 nan 8.280 nan 0.000 0.492 388 Q N -0.429 119.229 119.800 -0.236 0.000 2.234 388 Q HA -0.179 3.790 4.340 -0.620 0.000 0.206 388 Q C 2.306 178.337 176.000 0.052 0.000 0.980 388 Q CA 1.523 57.406 55.803 0.133 0.000 0.869 388 Q CB -0.119 28.742 28.738 0.205 0.000 0.912 388 Q HN 0.405 nan 8.270 nan 0.000 0.436 389 S N 0.445 116.129 115.700 -0.027 0.000 2.356 389 S HA -0.180 3.918 4.470 -0.620 0.000 0.223 389 S C 1.700 176.280 174.600 -0.033 0.000 1.032 389 S CA 1.507 59.682 58.200 -0.040 0.000 1.005 389 S CB -0.163 63.029 63.200 -0.012 0.000 0.867 389 S HN 0.365 nan 8.310 nan 0.000 0.449 390 K N 0.934 121.306 120.400 -0.047 0.000 2.148 390 K HA -0.142 3.806 4.320 -0.620 0.000 0.204 390 K C 1.344 177.947 176.600 0.005 0.000 1.050 390 K CA 1.532 57.761 56.287 -0.096 0.000 0.942 390 K CB -0.124 32.220 32.500 -0.261 0.000 0.724 390 K HN 0.165 nan 8.250 nan 0.000 0.446 391 D N 0.427 120.927 120.400 0.167 0.000 2.092 391 D HA -0.165 4.103 4.640 -0.620 0.000 0.193 391 D C 1.982 178.323 176.300 0.067 0.000 0.994 391 D CA 1.414 55.553 54.000 0.232 0.000 0.828 391 D CB -0.284 40.710 40.800 0.325 0.000 0.963 391 D HN 0.059 nan 8.370 nan 0.000 0.450 392 V N 1.383 121.310 119.914 0.022 0.000 2.295 392 V HA -0.204 3.544 4.120 -0.620 0.000 0.246 392 V C 2.577 178.673 176.094 0.003 0.000 1.049 392 V CA 1.123 63.418 62.300 -0.007 0.000 1.024 392 V CB -0.377 31.429 31.823 -0.028 0.000 0.648 392 V HN 0.189 nan 8.190 nan 0.000 0.447 393 I N 0.074 120.637 120.570 -0.011 0.000 2.361 393 I HA -0.228 3.570 4.170 -0.620 0.000 0.251 393 I C 2.184 178.294 176.117 -0.011 0.000 1.133 393 I CA 1.452 62.742 61.300 -0.015 0.000 1.413 393 I CB -0.461 37.518 38.000 -0.036 0.000 1.073 393 I HN 0.351 nan 8.210 nan 0.000 0.424 394 D N 0.279 120.672 120.400 -0.011 0.000 2.183 394 D HA -0.098 4.170 4.640 -0.620 0.000 0.203 394 D C 2.195 178.506 176.300 0.019 0.000 0.969 394 D CA 1.275 55.274 54.000 -0.002 0.000 0.842 394 D CB -0.022 40.782 40.800 0.006 0.000 0.957 394 D HN 0.266 nan 8.370 nan 0.000 0.484 395 T N 0.971 115.540 114.554 0.024 0.000 2.737 395 T HA -0.131 3.847 4.350 -0.620 0.000 0.265 395 T C 2.056 176.775 174.700 0.032 0.000 1.038 395 T CA 0.787 62.904 62.100 0.028 0.000 1.144 395 T CB -0.141 68.740 68.868 0.023 0.000 0.866 395 T HN 0.076 nan 8.240 nan 0.000 0.434 396 M N 1.398 121.017 119.600 0.032 0.000 2.088 396 M HA -0.223 3.885 4.480 -0.620 0.000 0.256 396 M C 2.225 178.542 176.300 0.029 0.000 1.071 396 M CA 1.868 57.190 55.300 0.036 0.000 1.097 396 M CB -0.177 32.443 32.600 0.033 0.000 1.315 396 M HN 0.232 nan 8.290 nan 0.000 0.406 397 K N -0.944 119.467 120.400 0.019 0.000 2.296 397 K HA -0.091 3.858 4.320 -0.620 0.000 0.200 397 K C 1.687 178.297 176.600 0.017 0.000 1.048 397 K CA 0.917 57.213 56.287 0.015 0.000 0.966 397 K CB -0.194 32.309 32.500 0.006 0.000 0.754 397 K HN 0.322 nan 8.250 nan 0.000 0.466 398 K N 1.098 121.510 120.400 0.020 0.000 2.001 398 K HA -0.109 3.839 4.320 -0.620 0.000 0.208 398 K C 1.546 178.159 176.600 0.021 0.000 1.048 398 K CA 1.840 58.139 56.287 0.020 0.000 0.932 398 K CB -0.107 32.407 32.500 0.024 0.000 0.715 398 K HN 0.150 nan 8.250 nan 0.000 0.437 399 D N 0.323 120.738 120.400 0.026 0.000 2.092 399 D HA -0.120 4.148 4.640 -0.620 0.000 0.193 399 D C 2.011 178.325 176.300 0.024 0.000 0.994 399 D CA 1.364 55.380 54.000 0.027 0.000 0.828 399 D CB -0.233 40.589 40.800 0.036 0.000 0.963 399 D HN 0.003 nan 8.370 nan 0.000 0.450 400 S N -1.464 114.251 115.700 0.025 0.000 2.377 400 S HA 0.151 4.249 4.470 -0.620 0.000 0.223 400 S C 1.850 176.461 174.600 0.018 0.000 1.030 400 S CA 1.274 59.488 58.200 0.023 0.000 0.970 400 S CB 0.269 63.485 63.200 0.026 0.000 0.830 400 S HN 0.505 nan 8.310 nan 0.000 0.473 401 G N 0.639 109.449 108.800 0.016 0.000 2.279 401 G HA2 -0.201 3.388 3.960 -0.620 0.000 0.223 401 G HA3 -0.201 3.388 3.960 -0.620 0.000 0.223 401 G C 0.230 175.137 174.900 0.012 0.000 1.015 401 G CA -0.050 45.058 45.100 0.013 0.000 0.621 401 G HN 0.347 nan 8.290 nan 0.000 0.506 402 I N 1.811 122.389 120.570 0.014 0.000 3.112 402 I HA 0.366 4.164 4.170 -0.620 0.000 0.284 402 I C 0.475 176.598 176.117 0.009 0.000 1.227 402 I CA -0.152 61.156 61.300 0.013 0.000 1.369 402 I CB 0.647 38.657 38.000 0.017 0.000 1.376 402 I HN 0.292 nan 8.210 nan 0.000 0.608 403 D N 3.056 123.460 120.400 0.007 0.000 2.248 403 D HA 0.399 4.667 4.640 -0.620 0.000 0.246 403 D C -0.603 175.697 176.300 0.001 0.000 1.027 403 D CA -0.465 53.536 54.000 0.002 0.000 0.853 403 D CB 1.082 41.882 40.800 -0.000 0.000 1.243 403 D HN 0.153 nan 8.370 nan 0.000 0.462 404 I N 5.803 126.371 120.570 -0.004 0.000 2.316 404 I HA 0.216 4.014 4.170 -0.620 0.000 0.286 404 I C -1.653 174.458 176.117 -0.011 0.000 1.107 404 I CA -1.806 59.491 61.300 -0.006 0.000 1.219 404 I CB 0.462 38.457 38.000 -0.009 0.000 1.455 404 I HN 0.360 nan 8.210 nan 0.000 0.498 405 P HA 0.034 nan 4.420 nan 0.000 0.222 405 P C 0.289 177.584 177.300 -0.007 0.000 1.157 405 P CA 0.489 63.584 63.100 -0.009 0.000 0.816 405 P CB 1.087 32.783 31.700 -0.006 0.000 0.813 406 L N 0.062 121.283 121.223 -0.004 0.000 2.386 406 L HA 0.658 4.626 4.340 -0.620 0.000 0.271 406 L C -1.446 175.426 176.870 0.004 0.000 0.993 406 L CA -1.225 53.616 54.840 0.001 0.000 0.819 406 L CB 2.042 44.100 42.059 -0.002 0.000 1.294 406 L HN -0.217 nan 8.230 nan 0.000 0.414 407 L N 4.013 125.245 121.223 0.014 0.000 2.381 407 L HA 0.578 4.546 4.340 -0.620 0.000 0.274 407 L C -1.083 175.811 176.870 0.039 0.000 0.988 407 L CA -0.273 54.579 54.840 0.020 0.000 0.824 407 L CB 1.605 43.677 42.059 0.021 0.000 1.263 407 L HN 0.608 nan 8.230 nan 0.000 0.410 408 K N 4.545 124.961 120.400 0.027 0.000 2.201 408 K HA 0.675 4.623 4.320 -0.620 0.000 0.278 408 K C -0.825 175.814 176.600 0.065 0.000 1.027 408 K CA -0.671 55.638 56.287 0.036 0.000 0.909 408 K CB 1.835 34.334 32.500 -0.002 0.000 1.062 408 K HN 0.546 nan 8.250 nan 0.000 0.465 409 V N -0.698 119.285 119.914 0.114 0.000 2.864 409 V HA 0.702 4.451 4.120 -0.620 0.000 0.314 409 V C -1.026 175.166 176.094 0.163 0.000 1.073 409 V CA -0.728 61.682 62.300 0.183 0.000 0.956 409 V CB 1.817 33.834 31.823 0.324 0.000 1.023 409 V HN 0.990 nan 8.190 nan 0.000 0.435 410 D N 0.100 120.613 120.400 0.189 0.000 2.779 410 D HA 0.777 5.045 4.640 -0.620 0.000 0.331 410 D C -0.028 176.384 176.300 0.187 0.000 1.331 410 D CA 0.035 54.126 54.000 0.151 0.000 0.866 410 D CB 0.959 41.813 40.800 0.090 0.000 1.409 410 D HN 2.024 nan 8.370 nan 0.000 0.486 411 G N -2.096 106.791 108.800 0.146 0.000 2.662 411 G HA2 0.395 3.983 3.960 -0.620 0.000 0.686 411 G HA3 0.395 3.983 3.960 -0.620 0.000 0.686 411 G C 0.758 175.745 174.900 0.146 0.000 1.271 411 G CA 0.132 45.325 45.100 0.155 0.000 0.816 411 G HN 1.277 nan 8.290 nan 0.000 0.608 412 G N 0.578 109.459 108.800 0.134 0.000 2.777 412 G HA2 0.142 3.731 3.960 -0.620 0.000 0.217 412 G HA3 0.142 3.731 3.960 -0.620 0.000 0.217 412 G C 2.293 177.248 174.900 0.090 0.000 1.295 412 G CA 3.376 48.541 45.100 0.108 0.000 0.800 412 G HN 2.313 nan 8.290 nan 0.000 0.637 413 A N 0.725 123.604 122.820 0.098 0.000 2.148 413 A HA 0.151 4.099 4.320 -0.620 0.000 0.222 413 A C 2.675 180.234 177.584 -0.041 0.000 1.161 413 A CA 2.303 54.360 52.037 0.035 0.000 0.662 413 A CB -0.646 18.383 19.000 0.047 0.000 0.799 413 A HN 1.157 nan 8.150 nan 0.000 0.466 414 A N -0.253 122.581 122.820 0.022 0.000 2.070 414 A HA -0.126 3.822 4.320 -0.620 0.000 0.220 414 A C 2.025 179.605 177.584 -0.008 0.000 1.159 414 A CA 1.684 53.708 52.037 -0.022 0.000 0.656 414 A CB -0.425 18.644 19.000 0.116 0.000 0.800 414 A HN 0.592 nan 8.150 nan 0.000 0.453 415 K N 0.387 120.800 120.400 0.021 0.000 2.113 415 K HA -0.195 3.754 4.320 -0.620 0.000 0.208 415 K C 0.482 177.090 176.600 0.014 0.000 1.047 415 K CA 1.057 57.364 56.287 0.034 0.000 0.928 415 K CB -0.238 32.283 32.500 0.034 0.000 0.716 415 K HN 0.459 nan 8.250 nan 0.000 0.446 416 N N 2.262 120.938 118.700 -0.040 0.000 2.416 416 N HA -0.069 4.299 4.740 -0.620 0.000 0.271 416 N C -0.026 175.419 175.510 -0.107 0.000 1.245 416 N CA 0.399 53.408 53.050 -0.068 0.000 0.940 416 N CB 0.749 39.173 38.487 -0.106 0.000 1.175 416 N HN 0.145 nan 8.380 nan 0.000 0.483 417 D N 3.826 124.213 120.400 -0.022 0.000 2.117 417 D HA -0.149 4.119 4.640 -0.620 0.000 0.198 417 D C 1.789 177.994 176.300 -0.158 0.000 0.982 417 D CA 0.904 54.910 54.000 0.009 0.000 0.828 417 D CB 0.364 41.288 40.800 0.206 0.000 0.967 417 D HN 0.548 nan 8.370 nan 0.000 0.464 418 L N 0.482 121.651 121.223 -0.090 0.000 2.081 418 L HA -0.204 3.764 4.340 -0.620 0.000 0.212 418 L C 2.491 179.269 176.870 -0.153 0.000 1.080 418 L CA 0.564 55.346 54.840 -0.096 0.000 0.754 418 L CB -0.222 41.789 42.059 -0.079 0.000 0.893 418 L HN 0.079 nan 8.230 nan 0.000 0.433 419 L N -1.105 119.990 121.223 -0.213 0.000 2.095 419 L HA -0.131 3.837 4.340 -0.620 0.000 0.204 419 L C 2.404 179.076 176.870 -0.329 0.000 1.080 419 L CA 1.572 56.270 54.840 -0.237 0.000 0.759 419 L CB -0.282 41.615 42.059 -0.271 0.000 0.914 419 L HN 0.130 nan 8.230 nan 0.000 0.439 420 M N -1.026 118.242 119.600 -0.552 0.000 2.175 420 M HA -0.147 3.962 4.480 -0.620 0.000 0.264 420 M C 2.263 178.088 176.300 -0.791 0.000 1.063 420 M CA 1.359 56.175 55.300 -0.806 0.000 1.119 420 M CB -1.151 30.672 32.600 -1.295 0.000 1.377 420 M HN 0.375 nan 8.290 nan 0.000 0.415 421 Q N 0.394 119.769 119.800 -0.709 0.000 2.084 421 Q HA -0.153 3.816 4.340 -0.620 0.000 0.202 421 Q C 1.888 177.803 176.000 -0.142 0.000 0.978 421 Q CA 1.712 57.345 55.803 -0.283 0.000 0.844 421 Q CB -0.636 28.065 28.738 -0.061 0.000 0.898 421 Q HN 0.411 nan 8.270 nan 0.000 0.426 422 F N 0.612 120.403 119.950 -0.265 0.000 2.171 422 F HA -0.154 4.001 4.527 -0.620 0.000 0.300 422 F C 2.197 177.846 175.800 -0.251 0.000 1.090 422 F CA 1.842 59.703 58.000 -0.231 0.000 1.293 422 F CB -0.413 38.434 39.000 -0.255 0.000 1.013 422 F HN 0.211 nan 8.300 nan 0.000 0.486 423 Q N 0.836 120.475 119.800 -0.268 0.000 2.096 423 Q HA -0.144 3.824 4.340 -0.620 0.000 0.204 423 Q C 2.194 178.020 176.000 -0.291 0.000 0.982 423 Q CA 2.230 57.849 55.803 -0.305 0.000 0.850 423 Q CB -0.747 27.858 28.738 -0.222 0.000 0.901 423 Q HN 0.450 nan 8.270 nan 0.000 0.422 424 A N 0.389 123.075 122.820 -0.223 0.000 1.873 424 A HA -0.172 3.776 4.320 -0.620 0.000 0.215 424 A C 1.861 179.342 177.584 -0.172 0.000 1.186 424 A CA 1.651 53.607 52.037 -0.136 0.000 0.616 424 A CB -0.726 18.255 19.000 -0.032 0.000 0.823 424 A HN 0.477 nan 8.150 nan 0.000 0.442 425 D N -0.318 119.952 120.400 -0.216 0.000 2.149 425 D HA -0.131 4.138 4.640 -0.620 0.000 0.198 425 D C 1.655 177.778 176.300 -0.296 0.000 0.990 425 D CA 1.216 55.088 54.000 -0.215 0.000 0.839 425 D CB -0.191 40.495 40.800 -0.190 0.000 0.948 425 D HN 0.368 nan 8.370 nan 0.000 0.460 426 I N 0.451 120.729 120.570 -0.486 0.000 2.500 426 I HA -0.104 3.695 4.170 -0.620 0.000 0.252 426 I C 2.329 178.254 176.117 -0.321 0.000 1.142 426 I CA 0.565 61.587 61.300 -0.462 0.000 1.451 426 I CB -0.034 37.525 38.000 -0.734 0.000 1.093 426 I HN -0.058 nan 8.210 nan 0.000 0.430 427 L N -0.583 120.476 121.223 -0.273 0.000 2.270 427 L HA -0.037 3.931 4.340 -0.620 0.000 0.210 427 L C 0.660 177.440 176.870 -0.149 0.000 1.104 427 L CA 0.612 55.330 54.840 -0.204 0.000 0.804 427 L CB -0.218 41.750 42.059 -0.151 0.000 0.937 427 L HN 0.252 nan 8.230 nan 0.000 0.450 428 D N 0.409 120.730 120.400 -0.131 0.000 2.800 428 D HA -0.199 4.069 4.640 -0.620 0.000 0.232 428 D C -0.283 175.981 176.300 -0.061 0.000 1.137 428 D CA 0.903 54.851 54.000 -0.086 0.000 0.718 428 D CB -0.936 39.818 40.800 -0.077 0.000 1.084 428 D HN 0.499 nan 8.370 nan 0.000 0.432 429 I N -4.340 116.196 120.570 -0.056 0.000 3.354 429 I HA 0.655 4.454 4.170 -0.620 0.000 0.316 429 I C -0.608 175.500 176.117 -0.015 0.000 1.182 429 I CA -1.246 60.034 61.300 -0.033 0.000 0.942 429 I CB 1.661 39.640 38.000 -0.035 0.000 1.299 429 I HN -0.284 nan 8.210 nan 0.000 0.473 430 D N 1.515 121.915 120.400 0.001 0.000 2.255 430 D HA 0.555 4.823 4.640 -0.620 0.000 0.249 430 D C -0.864 175.462 176.300 0.043 0.000 1.078 430 D CA 0.077 54.092 54.000 0.025 0.000 0.896 430 D CB 2.056 42.866 40.800 0.017 0.000 1.194 430 D HN 0.360 nan 8.370 nan 0.000 0.429 431 V N 2.766 122.737 119.914 0.095 0.000 2.444 431 V HA 0.294 4.042 4.120 -0.620 0.000 0.294 431 V C -0.485 175.726 176.094 0.194 0.000 1.022 431 V CA -0.684 61.695 62.300 0.131 0.000 0.850 431 V CB 1.505 33.401 31.823 0.123 0.000 0.992 431 V HN 0.446 nan 8.190 nan 0.000 0.426 432 Q N 4.217 124.095 119.800 0.129 0.000 2.341 432 Q HA 0.475 4.443 4.340 -0.620 0.000 0.268 432 Q C -0.368 175.702 176.000 0.117 0.000 1.013 432 Q CA -0.677 55.184 55.803 0.097 0.000 0.798 432 Q CB 1.594 30.350 28.738 0.030 0.000 1.253 432 Q HN 0.714 nan 8.270 nan 0.000 0.457 433 R N 2.490 123.080 120.500 0.150 0.000 2.254 433 R HA 0.485 4.453 4.340 -0.620 0.000 0.318 433 R C -0.609 175.737 176.300 0.077 0.000 1.031 433 R CA -0.096 56.094 56.100 0.151 0.000 0.905 433 R CB 0.858 31.304 30.300 0.243 0.000 1.050 433 R HN 0.703 nan 8.270 nan 0.000 0.456 434 A N 3.591 126.448 122.820 0.063 0.000 2.561 434 A HA 0.141 4.089 4.320 -0.620 0.000 0.234 434 A C 1.258 178.864 177.584 0.036 0.000 1.055 434 A CA 0.702 52.759 52.037 0.032 0.000 0.756 434 A CB 0.228 19.243 19.000 0.024 0.000 0.986 434 A HN 1.033 nan 8.150 nan 0.000 0.505 435 A N 2.006 124.839 122.820 0.021 0.000 1.933 435 A HA -0.079 3.869 4.320 -0.620 0.000 0.218 435 A C 1.344 178.954 177.584 0.043 0.000 1.175 435 A CA 1.478 53.531 52.037 0.026 0.000 0.628 435 A CB -0.258 18.753 19.000 0.018 0.000 0.814 435 A HN 0.823 nan 8.150 nan 0.000 0.444 436 N N 0.880 119.606 118.700 0.044 0.000 2.801 436 N HA 0.273 4.642 4.740 -0.620 0.000 0.235 436 N C 0.612 176.158 175.510 0.060 0.000 1.069 436 N CA -0.170 52.917 53.050 0.061 0.000 0.946 436 N CB 0.565 39.086 38.487 0.056 0.000 1.212 436 N HN 0.352 nan 8.380 nan 0.000 0.509 437 L N 1.203 122.468 121.223 0.071 0.000 2.137 437 L HA -0.177 3.791 4.340 -0.620 0.000 0.213 437 L C 1.443 178.361 176.870 0.079 0.000 1.085 437 L CA 1.178 56.065 54.840 0.078 0.000 0.760 437 L CB -0.171 41.938 42.059 0.083 0.000 0.893 437 L HN 0.562 nan 8.230 nan 0.000 0.434 438 E N 0.758 121.011 120.200 0.088 0.000 2.346 438 E HA -0.037 3.942 4.350 -0.620 0.000 0.317 438 E C 0.983 177.624 176.600 0.069 0.000 1.404 438 E CA 0.584 57.043 56.400 0.099 0.000 1.534 438 E CB -0.188 29.593 29.700 0.134 0.000 1.309 438 E HN 0.380 nan 8.360 nan 0.000 0.499 439 T N -1.654 112.918 114.554 0.031 0.000 3.023 439 T HA -0.094 3.885 4.350 -0.620 0.000 0.266 439 T C 1.594 176.273 174.700 -0.035 0.000 1.093 439 T CA 1.102 63.183 62.100 -0.032 0.000 1.129 439 T CB -0.168 68.686 68.868 -0.023 0.000 0.899 439 T HN 0.172 nan 8.240 nan 0.000 0.491 440 T N 2.146 116.713 114.554 0.021 0.000 2.674 440 T HA 0.082 4.060 4.350 -0.620 0.000 0.265 440 T C 2.450 177.167 174.700 0.029 0.000 1.039 440 T CA 1.425 63.545 62.100 0.032 0.000 1.150 440 T CB -0.797 68.107 68.868 0.060 0.000 0.864 440 T HN 0.602 nan 8.240 nan 0.000 0.427 441 A N 1.090 123.953 122.820 0.072 0.000 1.898 441 A HA 0.020 3.968 4.320 -0.620 0.000 0.216 441 A C 2.224 179.848 177.584 0.066 0.000 1.181 441 A CA 1.161 53.279 52.037 0.135 0.000 0.620 441 A CB -0.818 18.322 19.000 0.234 0.000 0.819 441 A HN 0.393 nan 8.150 nan 0.000 0.442 442 L N 0.290 121.438 121.223 -0.125 0.000 2.042 442 L HA -0.056 3.912 4.340 -0.620 0.000 0.210 442 L C 2.371 178.759 176.870 -0.803 0.000 1.076 442 L CA 2.288 56.704 54.840 -0.707 0.000 0.749 442 L CB -1.094 40.557 42.059 -0.680 0.000 0.893 442 L HN 0.311 nan 8.230 nan 0.000 0.432 443 G N -1.338 107.223 108.800 -0.399 0.000 2.408 443 G HA2 -0.203 3.385 3.960 -0.620 0.000 0.217 443 G HA3 -0.203 3.385 3.960 -0.620 0.000 0.217 443 G C 1.546 176.440 174.900 -0.011 0.000 1.150 443 G CA 0.656 45.672 45.100 -0.140 0.000 0.776 443 G HN 0.613 nan 8.290 nan 0.000 0.542 444 A N 0.755 123.553 122.820 -0.036 0.000 2.066 444 A HA 0.461 4.409 4.320 -0.620 0.000 0.218 444 A C 2.641 180.261 177.584 0.059 0.000 1.157 444 A CA 1.739 53.785 52.037 0.015 0.000 0.670 444 A CB -0.365 18.656 19.000 0.035 0.000 0.804 444 A HN 0.626 nan 8.150 nan 0.000 0.453 445 A N -1.360 121.471 122.820 0.019 0.000 2.016 445 A HA 0.094 4.043 4.320 -0.620 0.000 0.217 445 A C 1.979 179.797 177.584 0.390 0.000 1.162 445 A CA 1.052 53.184 52.037 0.158 0.000 0.662 445 A CB -0.557 18.483 19.000 0.067 0.000 0.812 445 A HN 0.493 nan 8.150 nan 0.000 0.450 446 Y N 0.124 120.544 120.300 0.199 0.000 2.184 446 Y HA -0.036 4.140 4.550 -0.624 0.000 0.290 446 Y C 2.198 178.262 175.900 0.273 0.000 1.129 446 Y CA 0.544 58.782 58.100 0.231 0.000 1.144 446 Y CB -1.099 37.502 38.460 0.234 0.000 0.995 446 Y HN 0.171 nan 8.280 nan 0.000 0.513 447 L N -0.542 120.822 121.223 0.234 0.000 2.013 447 L HA -0.272 3.697 4.340 -0.620 0.000 0.212 447 L C 2.650 179.577 176.870 0.094 0.000 1.073 447 L CA 1.506 56.331 54.840 -0.024 0.000 0.753 447 L CB -0.899 41.039 42.059 -0.203 0.000 0.890 447 L HN 0.180 nan 8.230 nan 0.000 0.432 448 A N 0.004 122.907 122.820 0.138 0.000 1.930 448 A HA -0.086 3.862 4.320 -0.620 0.000 0.217 448 A C 2.396 180.072 177.584 0.152 0.000 1.175 448 A CA 1.599 53.699 52.037 0.104 0.000 0.627 448 A CB -1.207 17.839 19.000 0.077 0.000 0.815 448 A HN 0.452 nan 8.150 nan 0.000 0.443 449 G N 0.041 109.048 108.800 0.345 0.000 2.433 449 G HA2 -0.178 3.410 3.960 -0.620 0.000 0.216 449 G HA3 -0.178 3.410 3.960 -0.620 0.000 0.216 449 G C 1.546 176.693 174.900 0.411 0.000 1.186 449 G CA 1.049 46.408 45.100 0.432 0.000 0.779 449 G HN 0.424 nan 8.290 nan 0.000 0.543 450 L N 0.789 122.275 121.223 0.438 0.000 2.079 450 L HA -0.101 3.868 4.340 -0.620 0.000 0.210 450 L C 3.407 180.359 176.870 0.136 0.000 1.081 450 L CA 1.022 56.024 54.840 0.270 0.000 0.752 450 L CB -0.434 41.746 42.059 0.202 0.000 0.896 450 L HN 0.318 nan 8.230 nan 0.000 0.433 451 A N 0.036 122.910 122.820 0.090 0.000 1.933 451 A HA -0.129 3.820 4.320 -0.620 0.000 0.218 451 A C 1.963 179.550 177.584 0.006 0.000 1.175 451 A CA 1.778 53.818 52.037 0.006 0.000 0.628 451 A CB -0.666 18.297 19.000 -0.061 0.000 0.814 451 A HN 0.352 nan 8.150 nan 0.000 0.444 452 V N -3.804 116.132 119.914 0.037 0.000 3.421 452 V HA 0.552 4.300 4.120 -0.620 0.000 0.316 452 V C 1.251 177.383 176.094 0.062 0.000 1.347 452 V CA 0.516 62.833 62.300 0.028 0.000 1.183 452 V CB -0.936 30.890 31.823 0.005 0.000 1.092 452 V HN 1.379 nan 8.190 nan 0.000 0.433 453 G N 0.328 109.175 108.800 0.078 0.000 2.196 453 G HA2 -0.437 3.151 3.960 -0.620 0.000 0.268 453 G HA3 -0.437 3.151 3.960 -0.620 0.000 0.268 453 G C 0.531 175.463 174.900 0.053 0.000 0.975 453 G CA 0.819 45.958 45.100 0.066 0.000 0.648 453 G HN 0.686 nan 8.290 nan 0.000 0.538 454 F N -0.020 119.855 119.950 -0.124 0.000 2.184 454 F HA 0.110 4.263 4.527 -0.623 0.000 0.301 454 F C 1.139 176.683 175.800 -0.428 0.000 1.076 454 F CA 1.495 59.286 58.000 -0.348 0.000 1.295 454 F CB 0.101 38.776 39.000 -0.541 0.000 1.026 454 F HN 0.294 nan 8.300 nan 0.000 0.494 455 W N 0.625 121.967 121.300 0.070 0.000 2.819 455 W HA 0.270 4.558 4.660 -0.620 0.000 0.337 455 W C 1.020 177.520 176.519 -0.031 0.000 1.077 455 W CA -1.359 55.967 57.345 -0.032 0.000 1.226 455 W CB 1.272 30.739 29.460 0.011 0.000 1.419 455 W HN -0.283 nan 8.180 nan 0.000 0.502 456 K N 0.906 121.403 120.400 0.162 0.000 1.965 456 K HA -0.192 3.756 4.320 -0.620 0.000 0.220 456 K C 0.459 177.095 176.600 0.061 0.000 1.046 456 K CA 2.215 58.545 56.287 0.072 0.000 0.974 456 K CB 0.030 32.547 32.500 0.029 0.000 0.738 456 K HN 0.580 nan 8.250 nan 0.000 0.444 457 D N -2.193 118.216 120.400 0.016 0.000 2.812 457 D HA 0.000 4.269 4.640 -0.620 0.000 0.318 457 D C 0.778 176.994 176.300 -0.141 0.000 1.234 457 D CA -0.578 53.397 54.000 -0.043 0.000 0.989 457 D CB 0.180 40.950 40.800 -0.051 0.000 1.442 457 D HN -0.034 nan 8.370 nan 0.000 0.537 458 L N 0.649 121.730 121.223 -0.237 0.000 2.351 458 L HA -0.106 3.862 4.340 -0.620 0.000 0.220 458 L C 1.459 178.158 176.870 -0.284 0.000 1.127 458 L CA 1.637 56.226 54.840 -0.418 0.000 0.786 458 L CB -1.376 40.314 42.059 -0.615 0.000 0.914 458 L HN 0.422 nan 8.230 nan 0.000 0.443 459 D N -0.983 119.310 120.400 -0.178 0.000 2.103 459 D HA -0.142 4.126 4.640 -0.620 0.000 0.199 459 D C 2.107 178.329 176.300 -0.131 0.000 0.978 459 D CA 1.046 54.972 54.000 -0.123 0.000 0.829 459 D CB 0.034 40.787 40.800 -0.079 0.000 0.981 459 D HN 0.383 nan 8.370 nan 0.000 0.464 460 E N 0.268 120.388 120.200 -0.133 0.000 2.085 460 E HA -0.162 3.817 4.350 -0.620 0.000 0.194 460 E C 2.251 178.690 176.600 -0.268 0.000 0.994 460 E CA 0.631 56.949 56.400 -0.136 0.000 0.801 460 E CB -0.110 29.558 29.700 -0.055 0.000 0.743 460 E HN 0.321 nan 8.360 nan 0.000 0.453 461 L N 1.031 122.004 121.223 -0.418 0.000 2.042 461 L HA -0.203 3.765 4.340 -0.620 0.000 0.210 461 L C 2.669 179.334 176.870 -0.341 0.000 1.076 461 L CA 1.036 55.510 54.840 -0.609 0.000 0.749 461 L CB -0.594 41.024 42.059 -0.735 0.000 0.893 461 L HN 0.022 nan 8.230 nan 0.000 0.432 462 K N 0.367 120.650 120.400 -0.195 0.000 2.211 462 K HA -0.097 3.851 4.320 -0.620 0.000 0.203 462 K C 2.066 178.602 176.600 -0.107 0.000 1.050 462 K CA 1.334 57.558 56.287 -0.105 0.000 0.945 462 K CB -0.034 32.433 32.500 -0.055 0.000 0.732 462 K HN 0.267 nan 8.250 nan 0.000 0.451 463 S N 1.707 117.336 115.700 -0.119 0.000 2.349 463 S HA -0.145 3.954 4.470 -0.620 0.000 0.216 463 S C 1.502 176.057 174.600 -0.075 0.000 1.033 463 S CA 1.575 59.725 58.200 -0.083 0.000 1.021 463 S CB -0.392 62.765 63.200 -0.071 0.000 0.968 463 S HN 0.548 nan 8.310 nan 0.000 0.426 464 M N 1.451 120.995 119.600 -0.093 0.000 3.731 464 M HA 0.433 4.541 4.480 -0.620 0.000 0.176 464 M C -0.224 176.041 176.300 -0.058 0.000 1.554 464 M CA -0.124 55.141 55.300 -0.058 0.000 1.718 464 M CB -0.887 31.688 32.600 -0.041 0.000 1.246 464 M HN 0.110 nan 8.290 nan 0.000 0.486 465 A N 2.388 125.173 122.820 -0.058 0.000 2.323 465 A HA 0.473 4.421 4.320 -0.620 0.000 0.305 465 A C 0.368 177.932 177.584 -0.034 0.000 1.275 465 A CA -0.699 51.306 52.037 -0.052 0.000 0.804 465 A CB 0.517 19.472 19.000 -0.076 0.000 1.152 465 A HN 0.590 nan 8.150 nan 0.000 0.487 466 E N 3.271 123.459 120.200 -0.019 0.000 2.405 466 E HA 0.181 4.160 4.350 -0.620 0.000 0.214 466 E C 0.023 176.611 176.600 -0.019 0.000 1.101 466 E CA -0.216 56.175 56.400 -0.014 0.000 1.254 466 E CB -0.531 29.168 29.700 -0.001 0.000 1.240 466 E HN 0.648 nan 8.360 nan 0.000 0.439 467 E N -0.491 119.693 120.200 -0.027 0.000 3.303 467 E HA -0.208 3.770 4.350 -0.620 0.000 0.309 467 E C 0.449 177.035 176.600 -0.024 0.000 1.470 467 E CA 1.620 58.001 56.400 -0.030 0.000 1.869 467 E CB -1.631 28.049 29.700 -0.033 0.000 1.914 467 E HN 0.601 nan 8.360 nan 0.000 0.498 468 G N -0.108 108.673 108.800 -0.031 0.000 2.313 468 G HA2 0.294 3.882 3.960 -0.620 0.000 0.296 468 G HA3 0.294 3.882 3.960 -0.620 0.000 0.296 468 G C -1.411 173.450 174.900 -0.065 0.000 1.356 468 G CA -0.051 45.031 45.100 -0.031 0.000 0.833 468 G HN 0.408 nan 8.290 nan 0.000 0.552 469 Q N -0.284 119.462 119.800 -0.089 0.000 2.330 469 Q HA 0.443 4.411 4.340 -0.620 0.000 0.279 469 Q C 0.110 175.930 176.000 -0.300 0.000 1.024 469 Q CA 0.318 55.997 55.803 -0.207 0.000 0.900 469 Q CB 0.536 29.128 28.738 -0.242 0.000 1.221 469 Q HN 0.580 nan 8.270 nan 0.000 0.396 470 M N 3.231 122.600 119.600 -0.386 0.000 2.644 470 M HA 0.552 4.660 4.480 -0.620 0.000 0.316 470 M C -1.697 174.249 176.300 -0.590 0.000 1.200 470 M CA -0.526 54.577 55.300 -0.329 0.000 0.944 470 M CB 1.164 33.675 32.600 -0.148 0.000 1.691 470 M HN 0.576 nan 8.290 nan 0.000 0.471 471 F N 0.742 120.681 119.950 -0.019 0.000 2.539 471 F HA 0.511 4.665 4.527 -0.621 0.000 0.318 471 F C -0.063 175.720 175.800 -0.028 0.000 1.135 471 F CA -0.671 57.315 58.000 -0.024 0.000 0.915 471 F CB 2.244 41.226 39.000 -0.030 0.000 1.176 471 F HN 0.529 nan 8.300 nan 0.000 0.440 472 T N 0.756 115.385 114.554 0.125 0.000 2.885 472 T HA 0.599 4.577 4.350 -0.620 0.000 0.285 472 T C -2.977 171.751 174.700 0.046 0.000 1.019 472 T CA -2.818 59.318 62.100 0.060 0.000 1.010 472 T CB 2.039 70.921 68.868 0.022 0.000 1.022 472 T HN 0.270 nan 8.240 nan 0.000 0.466 473 P HA 0.119 nan 4.420 nan 0.000 0.262 473 P C -0.235 177.064 177.300 -0.002 0.000 1.199 473 P CA 0.226 63.318 63.100 -0.012 0.000 0.763 473 P CB 0.174 31.855 31.700 -0.032 0.000 0.790 474 E N 2.792 122.992 120.200 0.001 0.000 3.428 474 E HA 0.311 4.289 4.350 -0.620 0.000 0.191 474 E C -0.312 176.292 176.600 0.007 0.000 0.980 474 E CA -0.501 55.905 56.400 0.009 0.000 1.305 474 E CB 0.357 30.071 29.700 0.023 0.000 1.105 474 E HN 0.346 nan 8.360 nan 0.000 0.455 475 M N 2.716 122.312 119.600 -0.006 0.000 2.197 475 M HA 0.411 4.520 4.480 -0.620 0.000 0.301 475 M C -2.628 173.673 176.300 0.000 0.000 0.987 475 M CA -2.169 53.131 55.300 -0.001 0.000 0.921 475 M CB 1.873 34.462 32.600 -0.018 0.000 1.569 475 M HN -0.096 nan 8.290 nan 0.000 0.431 476 P HA 0.024 nan 4.420 nan 0.000 0.266 476 P C 0.031 177.341 177.300 0.017 0.000 1.193 476 P CA 0.254 63.363 63.100 0.015 0.000 0.770 476 P CB 0.511 32.224 31.700 0.022 0.000 0.836 477 A N 2.934 125.762 122.820 0.015 0.000 1.873 477 A HA -0.260 3.688 4.320 -0.620 0.000 0.218 477 A C 2.249 179.854 177.584 0.035 0.000 1.193 477 A CA 2.136 54.184 52.037 0.019 0.000 0.629 477 A CB -1.329 17.681 19.000 0.016 0.000 0.826 477 A HN 0.734 nan 8.150 nan 0.000 0.447 478 E N -0.260 119.962 120.200 0.037 0.000 2.035 478 E HA -0.328 3.650 4.350 -0.620 0.000 0.204 478 E C 2.081 178.719 176.600 0.064 0.000 1.025 478 E CA 1.928 58.356 56.400 0.047 0.000 0.835 478 E CB -0.308 29.417 29.700 0.041 0.000 0.764 478 E HN 0.763 nan 8.360 nan 0.000 0.457 479 E N 0.514 120.752 120.200 0.064 0.000 2.049 479 E HA -0.311 3.667 4.350 -0.620 0.000 0.198 479 E C 2.371 179.035 176.600 0.105 0.000 1.007 479 E CA 1.486 57.938 56.400 0.086 0.000 0.809 479 E CB -0.284 29.462 29.700 0.077 0.000 0.749 479 E HN 0.174 nan 8.360 nan 0.000 0.450 480 R N 0.259 120.801 120.500 0.071 0.000 2.134 480 R HA -0.223 3.745 4.340 -0.620 0.000 0.248 480 R C 1.788 178.157 176.300 0.115 0.000 1.143 480 R CA 2.412 58.544 56.100 0.054 0.000 0.957 480 R CB -0.226 30.075 30.300 0.002 0.000 0.867 480 R HN 0.385 nan 8.270 nan 0.000 0.441 481 D N -0.560 119.909 120.400 0.114 0.000 2.194 481 D HA -0.085 4.183 4.640 -0.620 0.000 0.204 481 D C 1.498 177.905 176.300 0.179 0.000 0.964 481 D CA 0.582 54.676 54.000 0.155 0.000 0.846 481 D CB -0.351 40.514 40.800 0.108 0.000 0.962 481 D HN 0.269 nan 8.370 nan 0.000 0.490 482 N N 1.131 119.922 118.700 0.151 0.000 2.069 482 N HA -0.090 4.279 4.740 -0.620 0.000 0.191 482 N C 2.203 177.842 175.510 0.216 0.000 1.031 482 N CA 0.525 53.664 53.050 0.148 0.000 0.852 482 N CB -0.402 38.163 38.487 0.131 0.000 1.018 482 N HN 0.236 nan 8.380 nan 0.000 0.423 483 L N -0.479 120.921 121.223 0.295 0.000 2.012 483 L HA -0.211 3.757 4.340 -0.620 0.000 0.210 483 L C 2.329 179.499 176.870 0.499 0.000 1.073 483 L CA 1.301 56.420 54.840 0.466 0.000 0.748 483 L CB -0.578 41.792 42.059 0.519 0.000 0.891 483 L HN 0.172 nan 8.230 nan 0.000 0.431 484 Y N 0.780 121.268 120.300 0.313 0.000 2.373 484 Y HA -0.222 3.957 4.550 -0.620 0.000 0.293 484 Y C 2.478 178.445 175.900 0.112 0.000 1.129 484 Y CA 1.486 59.734 58.100 0.247 0.000 1.226 484 Y CB -0.029 38.560 38.460 0.215 0.000 1.000 484 Y HN 0.191 nan 8.280 nan 0.000 0.549 485 E N -0.134 120.083 120.200 0.029 0.000 2.047 485 E HA -0.066 3.912 4.350 -0.620 0.000 0.191 485 E C 2.471 178.910 176.600 -0.268 0.000 0.987 485 E CA 1.677 58.006 56.400 -0.119 0.000 0.799 485 E CB -1.007 28.686 29.700 -0.011 0.000 0.752 485 E HN 0.435 nan 8.360 nan 0.000 0.449 486 G N 0.867 109.524 108.800 -0.239 0.000 2.418 486 G HA2 -0.286 3.303 3.960 -0.620 0.000 0.217 486 G HA3 -0.286 3.303 3.960 -0.620 0.000 0.217 486 G C 1.488 175.695 174.900 -1.155 0.000 1.158 486 G CA 0.790 45.549 45.100 -0.569 0.000 0.771 486 G HN 0.476 nan 8.290 nan 0.000 0.545 487 W N 1.573 122.120 121.300 -1.256 0.000 2.335 487 W HA -0.137 4.151 4.660 -0.620 0.000 0.311 487 W C 2.253 178.303 176.519 -0.782 0.000 1.213 487 W CA 1.713 58.375 57.345 -1.138 0.000 1.274 487 W CB -0.195 28.605 29.460 -1.100 0.000 1.148 487 W HN 0.161 nan 8.180 nan 0.000 0.498 488 K N 0.555 120.523 120.400 -0.720 0.000 2.015 488 K HA -0.273 3.676 4.320 -0.620 0.000 0.216 488 K C 2.331 178.549 176.600 -0.637 0.000 1.052 488 K CA 2.784 58.694 56.287 -0.628 0.000 0.937 488 K CB -0.936 31.297 32.500 -0.445 0.000 0.719 488 K HN 0.270 nan 8.250 nan 0.000 0.446 489 Q N -0.854 118.597 119.800 -0.583 0.000 2.124 489 Q HA -0.127 3.841 4.340 -0.620 0.000 0.202 489 Q C 2.078 177.635 176.000 -0.738 0.000 0.977 489 Q CA 1.355 56.833 55.803 -0.542 0.000 0.850 489 Q CB -0.206 28.274 28.738 -0.431 0.000 0.901 489 Q HN 0.410 nan 8.270 nan 0.000 0.429 490 A N 0.541 122.800 122.820 -0.935 0.000 1.851 490 A HA -0.172 3.776 4.320 -0.620 0.000 0.216 490 A C 2.360 179.333 177.584 -1.017 0.000 1.195 490 A CA 1.672 53.042 52.037 -1.111 0.000 0.622 490 A CB -0.890 17.570 19.000 -0.899 0.000 0.831 490 A HN 0.216 nan 8.150 nan 0.000 0.444 491 V N -0.001 119.281 119.914 -1.054 0.000 2.343 491 V HA -0.254 3.494 4.120 -0.620 0.000 0.247 491 V C 3.054 178.778 176.094 -0.618 0.000 1.051 491 V CA 1.944 63.708 62.300 -0.895 0.000 1.036 491 V CB -1.461 29.697 31.823 -1.109 0.000 0.654 491 V HN 0.643 nan 8.190 nan 0.000 0.451 492 A N 0.312 122.795 122.820 -0.562 0.000 1.873 492 A HA -0.222 3.727 4.320 -0.620 0.000 0.218 492 A C 2.447 179.839 177.584 -0.321 0.000 1.193 492 A CA 2.589 54.404 52.037 -0.369 0.000 0.629 492 A CB -0.973 17.831 19.000 -0.327 0.000 0.826 492 A HN 0.605 nan 8.150 nan 0.000 0.447 493 A N -1.297 121.256 122.820 -0.445 0.000 1.930 493 A HA -0.061 3.888 4.320 -0.620 0.000 0.217 493 A C 2.273 179.781 177.584 -0.128 0.000 1.175 493 A CA 2.241 54.071 52.037 -0.346 0.000 0.627 493 A CB -1.312 17.303 19.000 -0.642 0.000 0.815 493 A HN 0.460 nan 8.150 nan 0.000 0.443 494 T N 0.218 114.661 114.554 -0.184 0.000 2.759 494 T HA -0.191 3.788 4.350 -0.620 0.000 0.269 494 T C 1.920 176.644 174.700 0.040 0.000 1.042 494 T CA 1.733 63.878 62.100 0.075 0.000 1.140 494 T CB -0.260 68.583 68.868 -0.041 0.000 0.864 494 T HN 0.621 nan 8.240 nan 0.000 0.455 495 Q N 0.462 120.215 119.800 -0.079 0.000 2.297 495 Q HA -0.059 3.910 4.340 -0.620 0.000 0.204 495 Q C 2.660 178.669 176.000 0.015 0.000 0.962 495 Q CA 1.413 57.188 55.803 -0.045 0.000 0.879 495 Q CB -0.241 28.436 28.738 -0.102 0.000 0.947 495 Q HN 0.716 nan 8.270 nan 0.000 0.462 496 T N -1.947 112.627 114.554 0.033 0.000 2.995 496 T HA -0.096 3.882 4.350 -0.620 0.000 0.269 496 T C 0.475 175.256 174.700 0.135 0.000 1.091 496 T CA 0.060 62.197 62.100 0.061 0.000 1.128 496 T CB -0.174 68.722 68.868 0.047 0.000 0.891 496 T HN 0.094 nan 8.240 nan 0.000 0.492 497 F N 3.119 123.088 119.950 0.032 0.000 2.423 497 F HA 0.457 4.612 4.527 -0.620 0.000 0.356 497 F C -0.007 175.836 175.800 0.072 0.000 1.170 497 F CA -1.358 56.676 58.000 0.057 0.000 1.163 497 F CB 0.226 39.263 39.000 0.061 0.000 1.318 497 F HN -0.162 nan 8.300 nan 0.000 0.569 498 K N 7.314 127.501 120.400 -0.354 0.000 3.122 498 K HA 0.042 3.990 4.320 -0.620 0.000 0.193 498 K C 0.734 177.127 176.600 -0.344 0.000 1.141 498 K CA -0.333 55.766 56.287 -0.312 0.000 0.975 498 K CB -0.343 32.084 32.500 -0.122 0.000 1.173 498 K HN 0.538 nan 8.250 nan 0.000 0.546 499 F N 2.463 121.893 119.950 -0.866 0.000 2.014 499 F HA -0.193 3.962 4.527 -0.620 0.000 0.299 499 F C 0.610 176.263 175.800 -0.245 0.000 1.224 499 F CA 1.762 59.450 58.000 -0.521 0.000 1.200 499 F CB -0.015 38.665 39.000 -0.533 0.000 0.948 499 F HN 0.451 nan 8.300 nan 0.000 0.520 500 K N -0.090 119.866 120.400 -0.741 0.000 6.691 500 K HA -0.114 3.834 4.320 -0.620 0.000 0.741 500 K C -0.782 175.157 176.600 -1.102 0.000 2.096 500 K CA 0.163 56.023 56.287 -0.711 0.000 1.671 500 K CB -1.100 31.189 32.500 -0.351 0.000 1.891 500 K HN 0.743 nan 8.250 nan 0.000 0.314 501 A N 3.285 125.464 122.820 -1.069 0.000 2.498 501 A HA 0.453 4.401 4.320 -0.620 0.000 0.239 501 A C 0.570 177.958 177.584 -0.327 0.000 1.068 501 A CA 0.611 52.228 52.037 -0.700 0.000 0.766 501 A CB 0.455 19.296 19.000 -0.266 0.000 1.003 501 A HN 0.939 nan 8.150 nan 0.000 0.497 502 K N 0.000 120.288 120.400 -0.187 0.000 2.780 502 K HA 0.000 3.948 4.320 -0.620 0.000 0.191 502 K CA 0.000 56.228 56.287 -0.098 0.000 0.838 502 K CB 0.000 32.468 32.500 -0.052 0.000 1.064 502 K HN 0.000 nan 8.250 nan 0.000 0.543