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 3mi6_1_B DATA FIRST_RESID 2 DATA SEQUENCE SIHVNEANLT FHLQTDHTSY IFQIXKNGEA GQIYYGPRIH VQPTYQNLXS DATA SEQUENCE QEWRDATPSL NEENPNFQPA TIKAEYASLG KGDFRQPAFQ VTQANGSRIT DATA SEQUENCE ELTYDHYQLL TGKQRLANLP STFDDTDDDA QTLVVSFNDR ITGLALDLNY DATA SEQUENCE SIFPHQDVIV KSAKFTNPSS EKLVLNRALS SQLDLPDANY DLIQFSGTWA DATA SEQUENCE RERHLYRHPL RPGXQSISSL RXASSHQQNP FXXLARPQTT DEQGAVFGFN DATA SEQUENCE LVYSGNFLDA IEVDQYSTSR ILTGINPDEF GWNLAPQATF QTPEAILSYT DATA SEQUENCE SAGXNQLSQQ XASFYQQHLV NPRFAHEERP VLINNWEATY FDFNEAKLXT DATA SEQUENCE IVNQAKRLGI EXFVLDDGWF GHRDDDTTSL GDWFVDQRKF PDGIEHFSQA DATA SEQUENCE VHQQGXKFGL WFEPEXVSVD SDLYQQHPDW LIHAPKSTPT PGRHQFVLDX DATA SEQUENCE ARPEVVDYLF KLXSQXIESA NLDYIKWDXN RYATEXFSSR LTSDQQLELP DATA SEQUENCE HRYILGVYQL YARLTQAYPN VLFESCASGG GRFDLGXXYY APQAWTSDDT DATA SEQUENCE DAAERLLIQF GTSYGYPQAX XGAHVSAVPN DQXGRITSLK TRGAVAFFGD DATA SEQUENCE LGYELDITKX APTELDQVKK QVAFYKCYRQ LFQFGKFYRI DSPFVEDGNV DATA SEQUENCE TSWQVVSDDQ KQAIAARYQL LNHPNAPYTR FYFKGLRPNQ RYQINDDPST DATA SEQUENCE YYGDELXNAG YFVPTILADG QESKDFYTQL FVVTAI 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.515 174.600 -0.141 0.000 1.055 2 S CA 0.000 58.123 58.200 -0.129 0.000 1.107 2 S CB 0.000 63.063 63.200 -0.227 0.000 0.593 3 I N 2.306 122.742 120.570 -0.225 0.000 2.331 3 I HA 0.414 4.584 4.170 0.000 0.000 0.292 3 I C -0.324 175.602 176.117 -0.319 0.000 0.998 3 I CA -0.430 60.785 61.300 -0.140 0.000 1.267 3 I CB 0.698 38.659 38.000 -0.066 0.000 1.386 3 I HN 0.542 nan 8.210 nan 0.000 0.476 4 H N 5.655 124.667 119.070 -0.096 0.000 2.505 4 H HA 0.440 4.996 4.556 0.000 0.000 0.338 4 H C -0.959 174.255 175.328 -0.191 0.000 1.057 4 H CA -0.723 55.248 56.048 -0.127 0.000 1.202 4 H CB 2.640 32.312 29.762 -0.151 0.000 1.466 4 H HN 0.238 nan 8.280 nan 0.000 0.499 5 V N 3.559 123.374 119.914 -0.165 0.000 2.326 5 V HA 0.057 4.177 4.120 0.000 0.000 0.281 5 V C 0.266 176.157 176.094 -0.338 0.000 1.015 5 V CA -0.850 61.178 62.300 -0.455 0.000 0.823 5 V CB 1.149 32.596 31.823 -0.628 0.000 1.009 5 V HN 0.688 nan 8.190 nan 0.000 0.436 6 N N 3.477 121.968 118.700 -0.348 0.000 2.415 6 N HA 0.152 4.892 4.740 0.000 0.000 0.246 6 N C 1.123 176.475 175.510 -0.263 0.000 1.078 6 N CA -0.233 52.679 53.050 -0.230 0.000 0.942 6 N CB 0.791 39.175 38.487 -0.170 0.000 1.140 6 N HN 0.663 nan 8.380 nan 0.000 0.501 7 E N 2.444 122.549 120.200 -0.157 0.000 2.208 7 E HA -0.168 4.182 4.350 0.000 0.000 0.193 7 E C 1.659 178.228 176.600 -0.052 0.000 0.988 7 E CA 0.829 57.179 56.400 -0.083 0.000 0.828 7 E CB -0.013 29.708 29.700 0.035 0.000 0.763 7 E HN 0.758 nan 8.360 nan 0.000 0.478 8 A N 2.524 125.312 122.820 -0.054 0.000 1.865 8 A HA -0.195 4.125 4.320 0.000 0.000 0.217 8 A C 1.730 179.291 177.584 -0.037 0.000 1.191 8 A CA 1.550 53.567 52.037 -0.033 0.000 0.623 8 A CB -0.375 18.603 19.000 -0.037 0.000 0.826 8 A HN 0.220 nan 8.150 nan 0.000 0.444 9 N N -0.757 117.900 118.700 -0.072 0.000 2.187 9 N HA 0.317 5.057 4.740 0.000 0.000 0.212 9 N C -0.589 174.864 175.510 -0.095 0.000 1.152 9 N CA 0.096 53.110 53.050 -0.059 0.000 0.872 9 N CB 0.704 39.157 38.487 -0.056 0.000 1.025 9 N HN 0.349 nan 8.380 nan 0.000 0.514 10 L N 1.519 122.638 121.223 -0.173 0.000 3.601 10 L HA -0.171 4.169 4.340 0.000 0.000 0.469 10 L C -0.809 175.829 176.870 -0.387 0.000 1.294 10 L CA 0.385 55.039 54.840 -0.309 0.000 0.829 10 L CB -2.065 39.884 42.059 -0.182 0.000 1.628 10 L HN 0.138 nan 8.230 nan 0.000 0.868 11 T N 0.255 114.533 114.554 -0.461 0.000 2.767 11 T HA 0.596 4.946 4.350 0.000 0.000 0.284 11 T C -0.269 174.030 174.700 -0.670 0.000 0.973 11 T CA -0.191 61.693 62.100 -0.360 0.000 0.996 11 T CB 0.799 69.581 68.868 -0.142 0.000 0.927 11 T HN 0.082 nan 8.240 nan 0.000 0.456 12 F N 3.018 122.648 119.950 -0.533 0.000 2.402 12 F HA 0.334 4.862 4.527 0.000 0.000 0.355 12 F C 0.549 176.069 175.800 -0.467 0.000 1.123 12 F CA -0.846 56.716 58.000 -0.730 0.000 1.021 12 F CB 0.948 38.988 39.000 -1.599 0.000 1.160 12 F HN 0.531 nan 8.300 nan 0.000 0.451 13 H N 5.054 124.037 119.070 -0.145 0.000 2.887 13 H HA 0.443 4.999 4.556 0.000 0.000 0.300 13 H C -1.552 173.826 175.328 0.085 0.000 1.038 13 H CA -1.195 54.853 56.048 0.000 0.000 1.352 13 H CB 0.843 30.629 29.762 0.039 0.000 1.473 13 H HN 0.447 nan 8.280 nan 0.000 0.503 14 L N 5.068 126.532 121.223 0.401 0.000 2.260 14 L HA 0.296 4.636 4.340 0.000 0.000 0.289 14 L C 0.399 177.464 176.870 0.325 0.000 1.057 14 L CA 0.128 55.128 54.840 0.267 0.000 0.811 14 L CB 1.094 43.251 42.059 0.163 0.000 1.184 14 L HN 0.530 nan 8.230 nan 0.000 0.429 15 Q N 2.408 122.327 119.800 0.198 0.000 2.347 15 Q HA 0.428 4.768 4.340 0.000 0.000 0.262 15 Q C 0.169 176.218 176.000 0.081 0.000 0.980 15 Q CA -0.504 55.385 55.803 0.145 0.000 0.867 15 Q CB 1.827 30.584 28.738 0.032 0.000 1.242 15 Q HN 0.739 nan 8.270 nan 0.000 0.453 16 T N -1.679 112.935 114.554 0.100 0.000 2.814 16 T HA 0.126 4.476 4.350 0.000 0.000 0.284 16 T C 0.712 175.403 174.700 -0.015 0.000 0.998 16 T CA -0.574 61.552 62.100 0.045 0.000 0.935 16 T CB 0.601 69.529 68.868 0.101 0.000 1.167 16 T HN 0.318 nan 8.240 nan 0.000 0.545 17 D N -0.112 120.242 120.400 -0.077 0.000 2.221 17 D HA -0.056 4.584 4.640 0.000 0.000 0.204 17 D C 1.238 177.183 176.300 -0.592 0.000 0.982 17 D CA 1.646 55.461 54.000 -0.309 0.000 0.857 17 D CB -0.157 40.441 40.800 -0.338 0.000 0.934 17 D HN 0.799 nan 8.370 nan 0.000 0.475 18 H N -2.628 116.509 119.070 0.113 0.000 3.398 18 H HA 0.226 4.782 4.556 0.000 0.000 0.260 18 H C -0.076 175.340 175.328 0.148 0.000 1.189 18 H CA 0.080 56.200 56.048 0.120 0.000 1.145 18 H CB 0.972 30.801 29.762 0.112 0.000 1.599 18 H HN -0.023 nan 8.280 nan 0.000 0.615 19 T N -1.720 112.972 114.554 0.230 0.000 2.906 19 T HA 0.705 5.055 4.350 0.000 0.000 0.295 19 T C -0.311 174.552 174.700 0.273 0.000 1.061 19 T CA -0.834 61.406 62.100 0.234 0.000 1.000 19 T CB 2.540 71.579 68.868 0.286 0.000 1.103 19 T HN -0.012 nan 8.240 nan 0.000 0.486 20 S N 1.067 116.952 115.700 0.309 0.000 2.532 20 S HA 0.678 5.148 4.470 0.000 0.000 0.301 20 S C -1.845 172.969 174.600 0.357 0.000 1.083 20 S CA -0.685 57.751 58.200 0.394 0.000 1.025 20 S CB 1.030 64.490 63.200 0.434 0.000 1.056 20 S HN 0.748 nan 8.310 nan 0.000 0.494 21 Y N 2.593 122.985 120.300 0.153 0.000 2.322 21 Y HA 0.604 5.154 4.550 0.000 0.000 0.324 21 Y C -1.552 174.346 175.900 -0.004 0.000 1.027 21 Y CA -0.885 57.217 58.100 0.003 0.000 1.179 21 Y CB 0.485 38.849 38.460 -0.160 0.000 1.136 21 Y HN 0.574 nan 8.280 nan 0.000 0.449 22 I N 8.639 129.164 120.570 -0.076 0.000 2.439 22 I HA 0.439 4.609 4.170 0.000 0.000 0.285 22 I C -1.099 175.030 176.117 0.021 0.000 1.021 22 I CA -0.815 60.417 61.300 -0.113 0.000 1.091 22 I CB 1.078 38.843 38.000 -0.391 0.000 1.242 22 I HN 0.494 nan 8.210 nan 0.000 0.439 23 F N 3.714 123.697 119.950 0.055 0.000 2.620 23 F HA 0.802 5.329 4.527 0.000 0.000 0.320 23 F C -0.838 175.049 175.800 0.145 0.000 1.069 23 F CA -0.798 57.245 58.000 0.072 0.000 0.953 23 F CB 1.626 40.682 39.000 0.093 0.000 1.322 23 F HN 0.403 nan 8.300 nan 0.000 0.479 24 Q N 1.778 121.785 119.800 0.345 0.000 2.379 24 Q HA 0.505 4.845 4.340 0.000 0.000 0.278 24 Q C -1.476 174.690 176.000 0.276 0.000 1.068 24 Q CA -0.954 54.983 55.803 0.224 0.000 0.816 24 Q CB 2.810 31.628 28.738 0.133 0.000 1.387 24 Q HN 0.684 nan 8.270 nan 0.000 0.413 28 N N 0.701 119.360 118.700 -0.069 0.000 2.322 28 N HA 0.109 4.849 4.740 0.000 0.000 0.194 28 N C 0.997 176.572 175.510 0.107 0.000 1.126 28 N CA 1.169 54.185 53.050 -0.056 0.000 0.845 28 N CB 0.895 39.298 38.487 -0.140 0.000 0.976 28 N HN 0.506 nan 8.380 nan 0.000 0.475 29 G N -0.180 108.729 108.800 0.182 0.000 2.184 29 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 29 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 29 G C -0.289 174.843 174.900 0.388 0.000 0.975 29 G CA 0.347 45.615 45.100 0.280 0.000 0.642 29 G HN 0.535 nan 8.290 nan 0.000 0.536 30 E N 0.227 120.615 120.200 0.312 0.000 2.318 30 E HA 0.604 4.954 4.350 0.000 0.000 0.265 30 E C 0.574 177.361 176.600 0.312 0.000 1.069 30 E CA -0.148 56.418 56.400 0.277 0.000 0.893 30 E CB 1.154 30.959 29.700 0.176 0.000 1.076 30 E HN 0.576 nan 8.360 nan 0.000 0.414 31 A N 1.261 124.237 122.820 0.259 0.000 2.366 31 A HA 0.506 4.826 4.320 0.000 0.000 0.272 31 A C 0.196 177.893 177.584 0.189 0.000 1.135 31 A CA -0.066 52.139 52.037 0.279 0.000 0.804 31 A CB 0.528 19.676 19.000 0.246 0.000 1.064 31 A HN 0.574 nan 8.150 nan 0.000 0.499 32 G N 1.374 110.306 108.800 0.220 0.000 2.417 32 G HA2 0.488 4.448 3.960 0.000 0.000 0.320 32 G HA3 0.488 4.448 3.960 0.000 0.000 0.320 32 G C -0.300 174.701 174.900 0.168 0.000 1.204 32 G CA -0.503 44.685 45.100 0.148 0.000 0.923 32 G HN 0.886 nan 8.290 nan 0.000 0.466 33 Q N 2.274 122.134 119.800 0.100 0.000 2.297 33 Q HA 0.313 4.653 4.340 0.000 0.000 0.267 33 Q C 0.285 176.298 176.000 0.022 0.000 1.006 33 Q CA 0.109 55.949 55.803 0.061 0.000 0.896 33 Q CB 0.894 29.628 28.738 -0.007 0.000 1.186 33 Q HN 0.497 nan 8.270 nan 0.000 0.392 34 I N 3.178 123.748 120.570 0.001 0.000 3.039 34 I HA 0.224 4.394 4.170 0.000 0.000 0.270 34 I C -0.269 175.850 176.117 0.004 0.000 1.150 34 I CA 0.027 61.311 61.300 -0.026 0.000 1.448 34 I CB 0.383 38.330 38.000 -0.089 0.000 1.197 34 I HN 0.676 nan 8.210 nan 0.000 0.450 35 Y N 0.018 120.183 120.300 -0.225 0.000 2.583 35 Y HA 0.439 4.989 4.550 0.000 0.000 0.330 35 Y C -2.206 173.597 175.900 -0.162 0.000 1.185 35 Y CA -1.338 56.647 58.100 -0.192 0.000 1.107 35 Y CB 1.173 39.477 38.460 -0.259 0.000 1.344 35 Y HN -0.021 nan 8.280 nan 0.000 0.463 36 Y N 4.625 124.309 120.300 -1.026 0.000 2.362 36 Y HA 0.765 5.315 4.550 0.000 0.000 0.326 36 Y C -0.448 174.842 175.900 -1.016 0.000 1.083 36 Y CA -0.391 57.208 58.100 -0.836 0.000 1.073 36 Y CB 1.697 39.887 38.460 -0.450 0.000 1.211 36 Y HN 1.085 nan 8.280 nan 0.000 0.433 37 G N 4.729 112.918 108.800 -1.018 0.000 2.344 37 G HA2 0.212 4.172 3.960 0.000 0.000 0.282 37 G HA3 0.212 4.172 3.960 0.000 0.000 0.282 37 G C -3.337 171.164 174.900 -0.665 0.000 1.281 37 G CA -1.044 43.292 45.100 -1.272 0.000 0.877 37 G HN 0.318 nan 8.290 nan 0.000 0.494 38 P HA 0.154 nan 4.420 nan 0.000 0.264 38 P C 0.106 177.519 177.300 0.189 0.000 1.179 38 P CA 0.092 63.222 63.100 0.050 0.000 0.763 38 P CB 0.321 32.108 31.700 0.144 0.000 0.806 39 R N 3.973 124.592 120.500 0.198 0.000 2.585 39 R HA 0.197 4.537 4.340 0.000 0.000 0.275 39 R C 0.257 176.671 176.300 0.189 0.000 1.018 39 R CA 0.141 56.367 56.100 0.210 0.000 1.072 39 R CB -0.323 30.064 30.300 0.145 0.000 0.953 39 R HN 0.510 nan 8.270 nan 0.000 0.419 40 I N -0.672 120.027 120.570 0.215 0.000 3.206 40 I HA 0.413 4.583 4.170 0.000 0.000 0.313 40 I C -0.833 175.415 176.117 0.218 0.000 1.103 40 I CA -1.406 60.002 61.300 0.179 0.000 0.985 40 I CB 1.638 39.662 38.000 0.040 0.000 1.240 40 I HN 0.540 nan 8.210 nan 0.000 0.464 41 H N 1.162 120.311 119.070 0.132 0.000 2.652 41 H HA 0.376 4.932 4.556 0.000 0.000 0.349 41 H C -0.424 175.014 175.328 0.182 0.000 1.099 41 H CA 0.003 56.105 56.048 0.090 0.000 1.417 41 H CB 1.237 31.020 29.762 0.035 0.000 1.457 41 H HN 0.367 nan 8.280 nan 0.000 0.568 42 V N 4.565 124.521 119.914 0.070 0.000 2.585 42 V HA 0.070 4.190 4.120 0.000 0.000 0.296 42 V C 0.205 176.328 176.094 0.048 0.000 1.035 42 V CA 0.231 62.558 62.300 0.044 0.000 1.084 42 V CB 0.509 32.109 31.823 -0.371 0.000 0.953 42 V HN 0.694 nan 8.190 nan 0.000 0.483 43 Q N 4.394 124.197 119.800 0.004 0.000 2.379 43 Q HA 0.336 4.676 4.340 0.000 0.000 0.278 43 Q C -2.016 173.815 176.000 -0.282 0.000 1.068 43 Q CA -1.683 53.974 55.803 -0.244 0.000 0.816 43 Q CB 2.274 30.695 28.738 -0.529 0.000 1.387 43 Q HN 0.325 nan 8.270 nan 0.000 0.413 44 P HA -0.142 nan 4.420 nan 0.000 0.216 44 P C 0.366 177.540 177.300 -0.210 0.000 1.154 44 P CA 1.586 64.582 63.100 -0.173 0.000 0.865 44 P CB 0.382 32.000 31.700 -0.138 0.000 0.789 45 T N -3.742 110.606 114.554 -0.342 0.000 2.739 45 T HA 0.465 4.815 4.350 0.000 0.000 0.303 45 T C -1.971 172.383 174.700 -0.576 0.000 1.389 45 T CA -0.624 61.294 62.100 -0.302 0.000 1.001 45 T CB 0.413 69.207 68.868 -0.123 0.000 1.436 45 T HN -0.283 nan 8.240 nan 0.000 0.500 46 Y N 2.172 122.450 120.300 -0.037 0.000 2.658 46 Y HA 0.333 4.883 4.550 0.000 0.000 0.362 46 Y C 1.623 177.507 175.900 -0.027 0.000 1.017 46 Y CA -0.653 57.423 58.100 -0.040 0.000 1.134 46 Y CB 0.768 39.195 38.460 -0.056 0.000 1.144 46 Y HN 0.586 nan 8.280 nan 0.000 0.655 47 Q N 0.304 120.128 119.800 0.040 0.000 2.124 47 Q HA -0.230 4.110 4.340 0.000 0.000 0.202 47 Q C 1.803 177.829 176.000 0.042 0.000 0.977 47 Q CA 1.936 57.759 55.803 0.034 0.000 0.850 47 Q CB 0.003 28.744 28.738 0.005 0.000 0.901 47 Q HN 0.653 nan 8.270 nan 0.000 0.429 48 N N 0.196 118.922 118.700 0.042 0.000 2.080 48 N HA -0.097 4.643 4.740 0.000 0.000 0.189 48 N C 0.472 176.004 175.510 0.036 0.000 1.036 48 N CA 0.555 53.624 53.050 0.033 0.000 0.846 48 N CB -0.018 38.484 38.487 0.026 0.000 1.015 48 N HN 0.038 nan 8.380 nan 0.000 0.423 52 Q N 1.042 120.838 119.800 -0.007 0.000 2.394 52 Q HA 0.701 5.041 4.340 0.000 0.000 0.273 52 Q C -1.312 174.693 176.000 0.007 0.000 1.089 52 Q CA -0.903 54.886 55.803 -0.023 0.000 0.812 52 Q CB 2.731 31.458 28.738 -0.019 0.000 1.353 52 Q HN 0.589 nan 8.270 nan 0.000 0.438 53 E N 0.963 121.159 120.200 -0.008 0.000 2.331 53 E HA 0.172 4.522 4.350 0.000 0.000 0.275 53 E C -1.422 175.221 176.600 0.071 0.000 0.895 53 E CA -0.765 55.663 56.400 0.045 0.000 0.753 53 E CB 2.103 31.815 29.700 0.019 0.000 1.216 53 E HN 0.502 nan 8.360 nan 0.000 0.434 54 W N 4.071 125.358 121.300 -0.022 0.000 2.293 54 W HA 0.052 4.712 4.660 0.000 0.000 0.342 54 W C -0.963 175.545 176.519 -0.019 0.000 1.274 54 W CA 0.533 57.873 57.345 -0.007 0.000 1.290 54 W CB 0.601 30.067 29.460 0.010 0.000 1.176 54 W HN 0.382 nan 8.180 nan 0.000 0.570 55 R N 4.306 124.236 120.500 -0.950 0.000 2.628 55 R HA 0.217 4.557 4.340 0.000 0.000 0.288 55 R C -0.168 175.414 176.300 -1.197 0.000 0.980 55 R CA -0.786 54.837 56.100 -0.795 0.000 0.891 55 R CB 1.376 31.441 30.300 -0.392 0.000 1.188 55 R HN 0.536 nan 8.270 nan 0.000 0.450 56 D N 1.021 121.094 120.400 -0.546 0.000 2.360 56 D HA 0.157 4.797 4.640 0.000 0.000 0.242 56 D C 0.617 176.816 176.300 -0.168 0.000 1.184 56 D CA 0.446 54.315 54.000 -0.218 0.000 0.930 56 D CB 0.774 41.638 40.800 0.106 0.000 1.161 56 D HN 0.571 nan 8.370 nan 0.000 0.447 57 A N 0.347 123.134 122.820 -0.055 0.000 2.798 57 A HA -0.183 4.137 4.320 0.000 0.000 0.282 57 A C 0.539 178.088 177.584 -0.059 0.000 1.464 57 A CA 1.694 53.711 52.037 -0.034 0.000 0.844 57 A CB -1.942 17.041 19.000 -0.029 0.000 1.006 57 A HN 0.477 nan 8.150 nan 0.000 0.577 58 T N -0.835 113.656 114.554 -0.104 0.000 2.912 58 T HA 0.593 4.943 4.350 0.000 0.000 0.299 58 T C -3.038 171.652 174.700 -0.016 0.000 1.052 58 T CA -1.296 60.779 62.100 -0.042 0.000 0.996 58 T CB 1.317 70.162 68.868 -0.039 0.000 1.070 58 T HN 0.100 nan 8.240 nan 0.000 0.465 59 P HA 0.317 nan 4.420 nan 0.000 0.266 59 P C -0.951 176.404 177.300 0.093 0.000 1.195 59 P CA -0.113 63.050 63.100 0.106 0.000 0.768 59 P CB 0.519 32.304 31.700 0.141 0.000 0.838 60 S N 1.694 117.472 115.700 0.130 0.000 2.704 60 S HA 0.304 4.774 4.470 0.000 0.000 0.305 60 S C 0.999 175.702 174.600 0.171 0.000 1.107 60 S CA -0.861 57.446 58.200 0.178 0.000 0.993 60 S CB 0.957 64.299 63.200 0.238 0.000 1.110 60 S HN 0.371 nan 8.310 nan 0.000 0.534 61 L N 0.981 122.328 121.223 0.207 0.000 1.948 61 L HA -0.080 4.260 4.340 0.000 0.000 0.212 61 L C 0.289 177.179 176.870 0.034 0.000 1.074 61 L CA 2.128 57.018 54.840 0.084 0.000 0.753 61 L CB -0.616 41.372 42.059 -0.119 0.000 0.888 61 L HN 0.928 nan 8.230 nan 0.000 0.432 62 N N -3.250 115.469 118.700 0.032 0.000 2.902 62 N HA 0.095 4.835 4.740 0.000 0.000 0.268 62 N C 0.209 175.753 175.510 0.057 0.000 1.450 62 N CA -0.672 52.397 53.050 0.032 0.000 0.819 62 N CB 0.216 38.702 38.487 -0.001 0.000 1.540 62 N HN -0.127 nan 8.380 nan 0.000 0.545 63 E N -0.291 119.937 120.200 0.047 0.000 2.333 63 E HA -0.136 4.214 4.350 0.000 0.000 0.198 63 E C -0.173 176.455 176.600 0.046 0.000 1.007 63 E CA 1.219 57.650 56.400 0.051 0.000 0.845 63 E CB -0.090 29.632 29.700 0.037 0.000 0.766 63 E HN 0.648 nan 8.360 nan 0.000 0.507 64 E N 0.096 120.319 120.200 0.038 0.000 2.465 64 E HA 0.130 4.480 4.350 0.000 0.000 0.195 64 E C -0.016 176.613 176.600 0.049 0.000 1.028 64 E CA -0.048 56.373 56.400 0.034 0.000 0.899 64 E CB 0.415 30.128 29.700 0.020 0.000 1.032 64 E HN -0.024 nan 8.360 nan 0.000 0.468 65 N N 0.843 119.588 118.700 0.075 0.000 2.687 65 N HA 0.080 4.820 4.740 0.000 0.000 0.275 65 N C -2.232 173.394 175.510 0.193 0.000 1.789 65 N CA -0.814 52.308 53.050 0.120 0.000 0.806 65 N CB 1.317 39.855 38.487 0.085 0.000 1.256 65 N HN 0.023 nan 8.380 nan 0.000 0.500 66 P HA -0.071 nan 4.420 nan 0.000 0.222 66 P C 0.600 178.160 177.300 0.434 0.000 1.147 66 P CA 1.120 64.410 63.100 0.316 0.000 0.790 66 P CB 0.531 32.359 31.700 0.214 0.000 0.780 67 N N -1.428 117.471 118.700 0.332 0.000 2.415 67 N HA -0.022 4.718 4.740 0.000 0.000 0.176 67 N C 0.117 175.750 175.510 0.206 0.000 1.042 67 N CA -0.199 53.024 53.050 0.288 0.000 0.902 67 N CB -0.175 38.443 38.487 0.218 0.000 0.986 67 N HN 0.053 nan 8.380 nan 0.000 0.447 68 F N 3.290 123.299 119.950 0.098 0.000 2.494 68 F HA 0.136 4.663 4.527 0.000 0.000 0.351 68 F C -0.498 175.332 175.800 0.050 0.000 1.205 68 F CA -0.154 57.885 58.000 0.064 0.000 1.125 68 F CB -0.126 38.913 39.000 0.065 0.000 1.268 68 F HN -0.099 nan 8.300 nan 0.000 0.593 69 Q N 7.701 127.498 119.800 -0.005 0.000 2.337 69 Q HA 0.251 4.591 4.340 0.000 0.000 0.264 69 Q C -2.033 173.929 176.000 -0.063 0.000 1.007 69 Q CA -1.912 53.910 55.803 0.032 0.000 0.727 69 Q CB 1.784 30.502 28.738 -0.033 0.000 1.256 69 Q HN 0.309 nan 8.270 nan 0.000 0.467 70 P HA -0.292 nan 4.420 nan 0.000 0.218 70 P C 0.905 178.185 177.300 -0.033 0.000 1.147 70 P CA 1.599 64.683 63.100 -0.026 0.000 0.827 70 P CB 0.279 31.990 31.700 0.019 0.000 0.778 71 A N -0.869 121.957 122.820 0.009 0.000 2.015 71 A HA -0.108 4.212 4.320 0.000 0.000 0.219 71 A C 1.757 179.382 177.584 0.069 0.000 1.163 71 A CA 2.030 54.111 52.037 0.074 0.000 0.646 71 A CB -1.392 17.697 19.000 0.149 0.000 0.806 71 A HN 0.348 nan 8.150 nan 0.000 0.448 72 T N -2.754 111.775 114.554 -0.042 0.000 3.215 72 T HA 0.610 4.960 4.350 0.000 0.000 0.271 72 T C 0.013 174.627 174.700 -0.142 0.000 1.012 72 T CA -0.231 61.795 62.100 -0.123 0.000 0.899 72 T CB -0.395 68.307 68.868 -0.276 0.000 1.089 72 T HN 0.192 nan 8.240 nan 0.000 0.552 73 I N 1.698 122.191 120.570 -0.128 0.000 2.418 73 I HA 0.354 4.524 4.170 0.000 0.000 0.287 73 I C -0.245 175.827 176.117 -0.074 0.000 1.008 73 I CA -1.155 60.059 61.300 -0.144 0.000 1.104 73 I CB 2.163 40.012 38.000 -0.252 0.000 1.264 73 I HN -0.055 nan 8.210 nan 0.000 0.438 74 K N 5.161 125.531 120.400 -0.051 0.000 2.436 74 K HA 0.376 4.696 4.320 0.000 0.000 0.282 74 K C -0.010 176.584 176.600 -0.010 0.000 1.044 74 K CA -0.092 56.181 56.287 -0.023 0.000 1.028 74 K CB 0.738 33.228 32.500 -0.016 0.000 0.919 74 K HN 0.660 nan 8.250 nan 0.000 0.474 75 A N 2.472 125.289 122.820 -0.004 0.000 2.269 75 A HA 0.239 4.559 4.320 0.000 0.000 0.319 75 A C 0.604 178.207 177.584 0.031 0.000 1.110 75 A CA -0.453 51.592 52.037 0.014 0.000 0.847 75 A CB 1.050 20.049 19.000 -0.002 0.000 1.161 75 A HN 0.790 nan 8.150 nan 0.000 0.497 76 E N -1.278 118.951 120.200 0.047 0.000 2.330 76 E HA 0.146 4.496 4.350 0.000 0.000 0.200 76 E C -1.131 175.555 176.600 0.145 0.000 0.922 76 E CA 0.707 57.143 56.400 0.061 0.000 0.935 76 E CB 0.293 29.983 29.700 -0.017 0.000 0.917 76 E HN 0.517 nan 8.360 nan 0.000 0.491 77 Y N -0.050 120.211 120.300 -0.064 0.000 2.472 77 Y HA 0.530 5.080 4.550 0.000 0.000 0.324 77 Y C -1.398 174.552 175.900 0.083 0.000 1.160 77 Y CA -0.698 57.387 58.100 -0.024 0.000 1.381 77 Y CB 0.384 38.764 38.460 -0.134 0.000 1.125 77 Y HN 0.066 nan 8.280 nan 0.000 0.541 78 A N 2.295 125.068 122.820 -0.079 0.000 2.310 78 A HA 0.725 5.045 4.320 0.000 0.000 0.299 78 A C 0.172 177.617 177.584 -0.231 0.000 1.147 78 A CA 0.048 52.042 52.037 -0.072 0.000 0.818 78 A CB 0.444 19.388 19.000 -0.094 0.000 1.096 78 A HN 0.712 nan 8.150 nan 0.000 0.495 79 S N 1.143 116.675 115.700 -0.280 0.000 2.681 79 S HA 0.651 5.121 4.470 0.000 0.000 0.270 79 S C -0.313 174.057 174.600 -0.383 0.000 1.209 79 S CA -0.549 57.289 58.200 -0.603 0.000 0.988 79 S CB 0.822 63.739 63.200 -0.472 0.000 1.006 79 S HN 1.219 nan 8.310 nan 0.000 0.558 80 L N 0.247 121.241 121.223 -0.382 0.000 2.322 80 L HA 0.735 5.075 4.340 0.000 0.000 0.281 80 L C 0.637 177.351 176.870 -0.259 0.000 1.014 80 L CA 1.169 55.834 54.840 -0.292 0.000 0.815 80 L CB 0.927 42.843 42.059 -0.238 0.000 1.247 80 L HN 1.165 nan 8.230 nan 0.000 0.421 81 G N 3.189 111.807 108.800 -0.303 0.000 2.183 81 G HA2 -0.163 3.797 3.960 0.000 0.000 0.168 81 G HA3 -0.163 3.797 3.960 0.000 0.000 0.168 81 G C 0.454 175.233 174.900 -0.201 0.000 1.008 81 G CA -0.069 44.886 45.100 -0.241 0.000 0.677 81 G HN 0.508 nan 8.290 nan 0.000 0.498 82 K N 0.115 120.384 120.400 -0.218 0.000 2.646 82 K HA 0.468 4.788 4.320 0.000 0.000 0.206 82 K C 1.434 177.961 176.600 -0.121 0.000 1.069 82 K CA 0.370 56.584 56.287 -0.121 0.000 1.067 82 K CB 1.043 33.510 32.500 -0.055 0.000 0.807 82 K HN 1.163 nan 8.250 nan 0.000 0.482 83 G N 1.212 109.854 108.800 -0.264 0.000 2.284 83 G HA2 -0.195 3.765 3.960 0.000 0.000 0.201 83 G HA3 -0.195 3.765 3.960 0.000 0.000 0.201 83 G C -0.318 174.409 174.900 -0.288 0.000 0.998 83 G CA -0.310 44.672 45.100 -0.198 0.000 0.651 83 G HN 0.326 nan 8.290 nan 0.000 0.489 84 D N -0.026 120.152 120.400 -0.369 0.000 2.280 84 D HA 0.632 5.272 4.640 0.000 0.000 0.236 84 D C 0.304 176.349 176.300 -0.424 0.000 1.082 84 D CA -0.746 53.101 54.000 -0.254 0.000 0.834 84 D CB 0.438 41.155 40.800 -0.139 0.000 1.100 84 D HN 0.034 nan 8.370 nan 0.000 0.486 85 F N 1.970 121.892 119.950 -0.047 0.000 2.641 85 F HA 0.288 4.815 4.527 0.000 0.000 0.302 85 F C 1.433 177.192 175.800 -0.068 0.000 1.098 85 F CA -0.427 57.538 58.000 -0.059 0.000 1.318 85 F CB 0.221 39.187 39.000 -0.055 0.000 1.035 85 F HN -0.011 nan 8.300 nan 0.000 0.551 86 R N 0.450 120.970 120.500 0.033 0.000 2.637 86 R HA 0.176 4.516 4.340 0.000 0.000 0.269 86 R C 0.412 176.678 176.300 -0.056 0.000 1.089 86 R CA -0.681 55.413 56.100 -0.010 0.000 1.177 86 R CB 0.374 30.659 30.300 -0.026 0.000 1.091 86 R HN 0.009 nan 8.270 nan 0.000 0.540 87 Q N 2.729 122.490 119.800 -0.064 0.000 2.263 87 Q HA 0.058 4.399 4.340 0.000 0.000 0.289 87 Q C -2.023 173.900 176.000 -0.128 0.000 1.061 87 Q CA -0.884 54.864 55.803 -0.091 0.000 0.927 87 Q CB 0.330 29.016 28.738 -0.086 0.000 1.154 87 Q HN 0.364 nan 8.270 nan 0.000 0.378 88 P HA 0.168 nan 4.420 nan 0.000 0.282 88 P C -0.288 176.865 177.300 -0.245 0.000 1.259 88 P CA -0.175 62.783 63.100 -0.237 0.000 0.826 88 P CB 0.990 32.501 31.700 -0.316 0.000 1.064 89 A N 2.310 124.939 122.820 -0.320 0.000 1.858 89 A HA 0.031 4.351 4.320 0.000 0.000 0.216 89 A C 0.901 178.350 177.584 -0.225 0.000 1.190 89 A CA 1.555 53.345 52.037 -0.411 0.000 0.617 89 A CB -1.081 17.303 19.000 -1.025 0.000 0.827 89 A HN 0.686 nan 8.150 nan 0.000 0.443 90 F N -3.665 116.086 119.950 -0.331 0.000 2.675 90 F HA 0.767 5.294 4.527 0.000 0.000 0.324 90 F C -0.852 174.908 175.800 -0.067 0.000 1.106 90 F CA -1.349 56.586 58.000 -0.109 0.000 0.970 90 F CB 1.269 40.351 39.000 0.137 0.000 1.385 90 F HN 0.141 nan 8.300 nan 0.000 0.489 91 Q N 1.440 121.224 119.800 -0.027 0.000 2.386 91 Q HA 0.676 5.016 4.340 0.000 0.000 0.274 91 Q C -2.425 173.619 176.000 0.075 0.000 1.011 91 Q CA -0.827 54.896 55.803 -0.133 0.000 0.867 91 Q CB 3.220 31.872 28.738 -0.142 0.000 1.409 91 Q HN 0.798 nan 8.270 nan 0.000 0.395 92 V N 2.047 122.014 119.914 0.088 0.000 2.638 92 V HA 0.508 4.628 4.120 0.000 0.000 0.306 92 V C -0.556 175.567 176.094 0.049 0.000 1.052 92 V CA -0.609 61.757 62.300 0.110 0.000 0.885 92 V CB 2.103 34.063 31.823 0.228 0.000 0.999 92 V HN 0.825 nan 8.190 nan 0.000 0.424 93 T N 4.632 119.198 114.554 0.019 0.000 2.795 93 T HA 0.453 4.803 4.350 0.000 0.000 0.282 93 T C -0.125 174.584 174.700 0.015 0.000 0.980 93 T CA -0.365 61.739 62.100 0.006 0.000 1.012 93 T CB 1.253 70.111 68.868 -0.016 0.000 0.936 93 T HN 0.687 nan 8.240 nan 0.000 0.457 94 Q N 0.872 120.683 119.800 0.018 0.000 2.316 94 Q HA 0.529 4.869 4.340 0.000 0.000 0.215 94 Q C 1.557 177.563 176.000 0.009 0.000 1.020 94 Q CA -0.666 55.150 55.803 0.022 0.000 0.970 94 Q CB 0.591 29.346 28.738 0.027 0.000 1.187 94 Q HN 0.786 nan 8.270 nan 0.000 0.546 95 A N 1.383 124.210 122.820 0.011 0.000 2.019 95 A HA -0.211 4.109 4.320 0.000 0.000 0.219 95 A C 1.418 179.004 177.584 0.002 0.000 1.164 95 A CA 1.963 54.002 52.037 0.004 0.000 0.644 95 A CB -0.621 18.382 19.000 0.006 0.000 0.805 95 A HN 0.830 nan 8.150 nan 0.000 0.449 96 N N -1.659 117.045 118.700 0.006 0.000 2.412 96 N HA 0.243 4.983 4.740 0.000 0.000 0.184 96 N C 1.067 176.579 175.510 0.003 0.000 1.101 96 N CA 1.393 54.446 53.050 0.005 0.000 0.881 96 N CB -0.137 38.355 38.487 0.009 0.000 0.969 96 N HN 0.747 nan 8.380 nan 0.000 0.459 97 G N -0.677 108.124 108.800 0.001 0.000 2.234 97 G HA2 -0.287 3.673 3.960 0.000 0.000 0.235 97 G HA3 -0.287 3.673 3.960 0.000 0.000 0.235 97 G C 0.082 174.982 174.900 -0.002 0.000 0.997 97 G CA 0.275 45.373 45.100 -0.003 0.000 0.623 97 G HN 0.700 nan 8.290 nan 0.000 0.514 98 S N 0.122 115.824 115.700 0.004 0.000 2.566 98 S HA 0.446 4.916 4.470 0.000 0.000 0.280 98 S C 1.287 175.889 174.600 0.003 0.000 1.343 98 S CA 1.055 59.258 58.200 0.004 0.000 1.036 98 S CB 0.434 63.640 63.200 0.011 0.000 0.866 98 S HN 0.524 nan 8.310 nan 0.000 0.526 99 R N 2.035 122.531 120.500 -0.007 0.000 2.600 99 R HA 0.298 4.638 4.340 0.000 0.000 0.392 99 R C -0.638 175.645 176.300 -0.028 0.000 1.032 99 R CA -0.514 55.576 56.100 -0.017 0.000 1.139 99 R CB 0.309 30.586 30.300 -0.038 0.000 1.400 99 R HN 0.438 nan 8.270 nan 0.000 0.566 100 I N 1.529 122.093 120.570 -0.010 0.000 2.474 100 I HA 0.190 4.360 4.170 0.000 0.000 0.287 100 I C 0.411 176.546 176.117 0.031 0.000 1.048 100 I CA 0.286 61.579 61.300 -0.012 0.000 1.383 100 I CB 1.341 39.339 38.000 -0.004 0.000 1.412 100 I HN -0.071 nan 8.210 nan 0.000 0.531 101 T N 5.824 120.403 114.554 0.041 0.000 2.881 101 T HA 0.344 4.694 4.350 0.000 0.000 0.290 101 T C -0.320 174.454 174.700 0.123 0.000 1.000 101 T CA -0.643 61.536 62.100 0.132 0.000 0.978 101 T CB 1.379 70.425 68.868 0.296 0.000 0.997 101 T HN 0.436 nan 8.240 nan 0.000 0.443 102 E N 3.190 123.464 120.200 0.122 0.000 2.376 102 E HA 0.311 4.661 4.350 0.000 0.000 0.236 102 E C -0.287 176.394 176.600 0.135 0.000 0.962 102 E CA -0.365 56.102 56.400 0.111 0.000 0.768 102 E CB 0.814 30.562 29.700 0.080 0.000 1.236 102 E HN 0.473 nan 8.360 nan 0.000 0.431 103 L N 2.033 123.347 121.223 0.152 0.000 2.456 103 L HA 0.201 4.541 4.340 0.000 0.000 0.272 103 L C 0.182 177.191 176.870 0.233 0.000 1.189 103 L CA 0.526 55.459 54.840 0.155 0.000 0.846 103 L CB 0.390 42.456 42.059 0.011 0.000 1.111 103 L HN 0.393 nan 8.230 nan 0.000 0.475 104 T N 0.957 115.717 114.554 0.343 0.000 3.071 104 T HA 0.174 4.524 4.350 0.000 0.000 0.311 104 T C -0.777 174.156 174.700 0.388 0.000 1.042 104 T CA -0.628 61.684 62.100 0.353 0.000 1.028 104 T CB 0.823 69.810 68.868 0.198 0.000 1.068 104 T HN 0.302 nan 8.240 nan 0.000 0.451 105 Y N 2.364 122.820 120.300 0.260 0.000 2.811 105 Y HA 0.164 4.714 4.550 0.000 0.000 0.334 105 Y C 0.824 176.682 175.900 -0.070 0.000 1.247 105 Y CA 0.419 58.443 58.100 -0.127 0.000 1.526 105 Y CB 0.671 39.103 38.460 -0.047 0.000 1.284 105 Y HN 0.900 nan 8.280 nan 0.000 0.586 106 D N 1.798 121.642 120.400 -0.926 0.000 3.099 106 D HA 0.050 4.690 4.640 0.000 0.000 0.291 106 D C -0.511 175.340 176.300 -0.749 0.000 1.209 106 D CA 0.758 54.388 54.000 -0.616 0.000 1.032 106 D CB 0.330 41.003 40.800 -0.212 0.000 1.324 106 D HN 0.736 nan 8.370 nan 0.000 0.440 107 H N -2.536 116.010 119.070 -0.872 0.000 2.918 107 H HA 0.355 4.911 4.556 0.000 0.000 0.303 107 H C -1.532 173.768 175.328 -0.046 0.000 1.380 107 H CA -0.909 54.872 56.048 -0.444 0.000 1.134 107 H CB 0.471 30.087 29.762 -0.244 0.000 1.842 107 H HN 0.172 nan 8.280 nan 0.000 0.533 108 Y N -0.458 119.951 120.300 0.182 0.000 2.677 108 Y HA 0.652 5.203 4.550 0.000 0.000 0.334 108 Y C -1.476 174.547 175.900 0.206 0.000 1.154 108 Y CA -1.010 57.198 58.100 0.180 0.000 1.070 108 Y CB 2.168 40.871 38.460 0.405 0.000 1.294 108 Y HN 0.834 nan 8.280 nan 0.000 0.475 109 Q N 1.734 121.713 119.800 0.297 0.000 2.320 109 Q HA 0.504 4.844 4.340 0.000 0.000 0.272 109 Q C -2.439 173.717 176.000 0.260 0.000 1.023 109 Q CA -0.827 55.052 55.803 0.127 0.000 0.855 109 Q CB 2.633 31.425 28.738 0.090 0.000 1.367 109 Q HN 0.953 nan 8.270 nan 0.000 0.406 110 L N 5.735 127.073 121.223 0.191 0.000 2.345 110 L HA 0.543 4.883 4.340 0.000 0.000 0.274 110 L C -1.485 175.428 176.870 0.072 0.000 0.999 110 L CA -0.541 54.401 54.840 0.170 0.000 0.849 110 L CB 0.989 43.177 42.059 0.214 0.000 1.220 110 L HN 0.633 nan 8.230 nan 0.000 0.422 111 L N 2.984 124.234 121.223 0.045 0.000 2.331 111 L HA 0.514 4.854 4.340 0.000 0.000 0.275 111 L C 0.301 177.164 176.870 -0.012 0.000 1.022 111 L CA -0.640 54.209 54.840 0.015 0.000 0.812 111 L CB 2.127 44.196 42.059 0.015 0.000 1.257 111 L HN 0.460 nan 8.230 nan 0.000 0.435 112 T N 1.561 116.104 114.554 -0.017 0.000 2.884 112 T HA 0.507 4.857 4.350 0.000 0.000 0.298 112 T C 0.517 175.196 174.700 -0.036 0.000 0.998 112 T CA 0.540 62.619 62.100 -0.034 0.000 1.124 112 T CB 1.208 70.061 68.868 -0.024 0.000 0.931 112 T HN 0.997 nan 8.240 nan 0.000 0.531 113 G N 1.823 110.581 108.800 -0.071 0.000 2.615 113 G HA2 0.027 3.987 3.960 0.000 0.000 0.218 113 G HA3 0.027 3.987 3.960 0.000 0.000 0.218 113 G C -0.842 174.013 174.900 -0.075 0.000 1.339 113 G CA -0.154 44.908 45.100 -0.064 0.000 0.884 113 G HN 0.891 nan 8.290 nan 0.000 0.559 114 K N 0.057 120.462 120.400 0.008 0.000 2.619 114 K HA 0.531 4.851 4.320 0.000 0.000 0.251 114 K C -0.498 176.195 176.600 0.155 0.000 0.987 114 K CA -0.528 55.800 56.287 0.067 0.000 0.844 114 K CB 1.295 33.857 32.500 0.103 0.000 1.237 114 K HN 0.624 nan 8.250 nan 0.000 0.447 115 Q N 2.831 122.701 119.800 0.116 0.000 2.230 115 Q HA 0.424 4.764 4.340 0.000 0.000 0.248 115 Q C -0.167 175.916 176.000 0.138 0.000 0.915 115 Q CA -0.624 55.249 55.803 0.117 0.000 0.900 115 Q CB 1.130 29.906 28.738 0.063 0.000 1.229 115 Q HN 0.522 nan 8.270 nan 0.000 0.439 116 R N 0.450 121.036 120.500 0.144 0.000 2.774 116 R HA 0.268 4.608 4.340 0.000 0.000 0.269 116 R C 0.152 176.475 176.300 0.038 0.000 1.068 116 R CA -0.194 55.979 56.100 0.121 0.000 1.180 116 R CB 0.211 30.579 30.300 0.112 0.000 1.077 116 R HN 0.393 nan 8.270 nan 0.000 0.513 117 L N 1.378 122.592 121.223 -0.015 0.000 2.399 117 L HA 0.222 4.562 4.340 0.000 0.000 0.266 117 L C 1.546 178.385 176.870 -0.051 0.000 1.114 117 L CA -0.311 54.504 54.840 -0.042 0.000 0.804 117 L CB 1.174 43.188 42.059 -0.075 0.000 1.146 117 L HN 0.818 nan 8.230 nan 0.000 0.451 118 A N 2.655 125.453 122.820 -0.036 0.000 1.863 118 A HA -0.247 4.073 4.320 0.000 0.000 0.218 118 A C 1.261 178.827 177.584 -0.030 0.000 1.233 118 A CA 2.545 54.568 52.037 -0.023 0.000 0.655 118 A CB -0.686 18.306 19.000 -0.013 0.000 0.839 118 A HN 0.931 nan 8.150 nan 0.000 0.454 119 N N -1.541 117.134 118.700 -0.041 0.000 2.282 119 N HA 0.462 5.202 4.740 0.000 0.000 0.240 119 N C -0.920 174.556 175.510 -0.057 0.000 1.182 119 N CA -0.055 52.981 53.050 -0.023 0.000 0.874 119 N CB 0.891 39.382 38.487 0.007 0.000 1.126 119 N HN 0.347 nan 8.380 nan 0.000 0.516 120 L N 1.379 122.505 121.223 -0.161 0.000 2.365 120 L HA 0.574 4.914 4.340 0.000 0.000 0.273 120 L C -2.211 174.306 176.870 -0.589 0.000 1.000 120 L CA -2.334 52.328 54.840 -0.296 0.000 0.819 120 L CB 2.327 44.282 42.059 -0.173 0.000 1.284 120 L HN -0.094 nan 8.230 nan 0.000 0.418 121 P HA 0.051 nan 4.420 nan 0.000 0.267 121 P C -0.780 175.995 177.300 -0.875 0.000 1.201 121 P CA 0.147 62.352 63.100 -1.492 0.000 0.775 121 P CB 1.062 32.086 31.700 -1.126 0.000 0.854 122 S N -0.023 115.221 115.700 -0.761 0.000 2.714 122 S HA 0.599 5.069 4.470 0.000 0.000 0.280 122 S C -0.580 174.077 174.600 0.095 0.000 1.200 122 S CA -0.706 57.376 58.200 -0.197 0.000 0.900 122 S CB 0.780 63.895 63.200 -0.141 0.000 1.235 122 S HN 0.663 nan 8.310 nan 0.000 0.512 123 T N -0.594 114.039 114.554 0.133 0.000 2.932 123 T HA 0.876 5.226 4.350 0.000 0.000 0.289 123 T C -0.858 173.993 174.700 0.252 0.000 1.039 123 T CA -0.804 61.337 62.100 0.069 0.000 1.024 123 T CB 1.014 69.926 68.868 0.074 0.000 1.090 123 T HN 1.458 nan 8.240 nan 0.000 0.496 124 F N -1.112 118.976 119.950 0.230 0.000 2.665 124 F HA 0.680 5.207 4.527 0.000 0.000 0.308 124 F C -1.586 174.448 175.800 0.389 0.000 1.112 124 F CA -1.309 56.844 58.000 0.254 0.000 0.972 124 F CB 1.256 40.351 39.000 0.157 0.000 1.295 124 F HN 0.532 nan 8.300 nan 0.000 0.440 125 D N 1.573 122.271 120.400 0.497 0.000 2.477 125 D HA 0.286 4.926 4.640 0.000 0.000 0.239 125 D C -0.407 176.119 176.300 0.378 0.000 1.102 125 D CA -0.142 54.139 54.000 0.469 0.000 0.901 125 D CB 0.571 41.478 40.800 0.177 0.000 1.026 125 D HN 0.564 nan 8.370 nan 0.000 0.515 126 D N 1.361 122.023 120.400 0.438 0.000 2.369 126 D HA 0.006 4.646 4.640 0.000 0.000 0.211 126 D C 1.156 177.553 176.300 0.161 0.000 1.077 126 D CA 0.446 54.591 54.000 0.241 0.000 0.842 126 D CB 0.706 41.614 40.800 0.179 0.000 0.947 126 D HN 0.456 nan 8.370 nan 0.000 0.509 127 T N -2.494 112.177 114.554 0.193 0.000 3.132 127 T HA 0.106 4.456 4.350 0.000 0.000 0.274 127 T C 0.311 175.085 174.700 0.123 0.000 1.011 127 T CA -0.320 61.850 62.100 0.115 0.000 0.899 127 T CB 0.552 69.456 68.868 0.059 0.000 1.089 127 T HN -0.189 nan 8.240 nan 0.000 0.543 128 D N 1.183 121.667 120.400 0.141 0.000 2.718 128 D HA -0.148 4.492 4.640 0.000 0.000 0.242 128 D C -0.345 176.043 176.300 0.148 0.000 1.123 128 D CA 0.526 54.592 54.000 0.110 0.000 0.690 128 D CB -1.604 39.237 40.800 0.070 0.000 1.059 128 D HN 0.462 nan 8.370 nan 0.000 0.429 129 D N 0.594 121.121 120.400 0.212 0.000 2.525 129 D HA 0.131 4.771 4.640 0.000 0.000 0.229 129 D C -0.067 176.347 176.300 0.190 0.000 1.202 129 D CA 0.118 54.298 54.000 0.300 0.000 0.828 129 D CB 0.049 41.147 40.800 0.497 0.000 1.008 129 D HN 0.315 nan 8.370 nan 0.000 0.493 130 D N -0.588 119.858 120.400 0.078 0.000 2.981 130 D HA -0.180 4.460 4.640 0.000 0.000 0.223 130 D C -0.027 176.160 176.300 -0.188 0.000 1.151 130 D CA 0.892 54.872 54.000 -0.034 0.000 0.827 130 D CB -1.426 39.379 40.800 0.009 0.000 1.101 130 D HN 0.398 nan 8.370 nan 0.000 0.426 131 A N -0.022 122.642 122.820 -0.260 0.000 2.351 131 A HA 0.536 4.857 4.320 0.000 0.000 0.257 131 A C 0.457 177.830 177.584 -0.352 0.000 1.087 131 A CA 0.073 51.795 52.037 -0.524 0.000 0.798 131 A CB 0.910 19.323 19.000 -0.979 0.000 1.033 131 A HN 0.148 nan 8.150 nan 0.000 0.488 132 Q N -0.518 119.070 119.800 -0.352 0.000 2.421 132 Q HA 0.542 4.882 4.340 0.000 0.000 0.280 132 Q C -1.388 174.519 176.000 -0.155 0.000 1.085 132 Q CA -0.618 55.068 55.803 -0.196 0.000 0.807 132 Q CB 2.646 31.303 28.738 -0.135 0.000 1.405 132 Q HN 0.675 nan 8.270 nan 0.000 0.419 133 T N 1.835 116.347 114.554 -0.070 0.000 2.786 133 T HA 0.454 4.804 4.350 0.000 0.000 0.283 133 T C -1.282 173.445 174.700 0.046 0.000 0.992 133 T CA -0.523 61.570 62.100 -0.011 0.000 0.954 133 T CB 0.666 69.535 68.868 0.001 0.000 0.934 133 T HN 0.315 nan 8.240 nan 0.000 0.440 134 L N 5.480 126.755 121.223 0.087 0.000 2.265 134 L HA 0.677 5.017 4.340 0.000 0.000 0.289 134 L C -0.979 175.981 176.870 0.151 0.000 1.033 134 L CA -0.407 54.512 54.840 0.131 0.000 0.814 134 L CB 0.866 42.986 42.059 0.101 0.000 1.203 134 L HN 0.408 nan 8.230 nan 0.000 0.423 135 V N 6.248 126.244 119.914 0.136 0.000 2.347 135 V HA 0.484 4.604 4.120 0.000 0.000 0.280 135 V C -0.295 175.840 176.094 0.068 0.000 1.021 135 V CA -0.587 61.766 62.300 0.088 0.000 0.847 135 V CB 1.646 33.500 31.823 0.052 0.000 0.990 135 V HN 0.549 nan 8.190 nan 0.000 0.444 136 V N 4.074 123.996 119.914 0.014 0.000 2.417 136 V HA 0.530 4.650 4.120 0.000 0.000 0.291 136 V C 0.150 176.121 176.094 -0.205 0.000 1.024 136 V CA -0.294 61.954 62.300 -0.087 0.000 0.861 136 V CB 1.833 33.562 31.823 -0.157 0.000 0.985 136 V HN 0.859 nan 8.190 nan 0.000 0.436 137 S N 4.415 119.835 115.700 -0.465 0.000 2.501 137 S HA 0.849 5.319 4.470 0.000 0.000 0.301 137 S C -0.918 173.261 174.600 -0.701 0.000 1.096 137 S CA -0.340 57.535 58.200 -0.541 0.000 1.063 137 S CB 1.113 63.806 63.200 -0.845 0.000 1.042 137 S HN 0.460 nan 8.310 nan 0.000 0.494 138 F N 1.219 121.067 119.950 -0.169 0.000 2.588 138 F HA 0.504 5.031 4.527 0.000 0.000 0.314 138 F C 0.246 175.999 175.800 -0.077 0.000 1.069 138 F CA -0.891 57.057 58.000 -0.087 0.000 0.931 138 F CB 1.734 40.707 39.000 -0.045 0.000 1.260 138 F HN 0.451 nan 8.300 nan 0.000 0.465 139 N N 0.022 118.815 118.700 0.155 0.000 2.269 139 N HA 0.253 4.993 4.740 0.000 0.000 0.304 139 N C -1.969 173.618 175.510 0.128 0.000 1.072 139 N CA -0.878 52.235 53.050 0.106 0.000 0.802 139 N CB 1.555 40.082 38.487 0.067 0.000 1.348 139 N HN 0.501 nan 8.380 nan 0.000 0.484 140 D N 1.126 121.591 120.400 0.109 0.000 2.352 140 D HA 0.122 4.762 4.640 0.000 0.000 0.245 140 D C 0.891 177.249 176.300 0.096 0.000 1.224 140 D CA 0.019 54.089 54.000 0.116 0.000 0.879 140 D CB 0.557 41.433 40.800 0.127 0.000 1.057 140 D HN 0.388 nan 8.370 nan 0.000 0.491 141 R N 2.986 123.542 120.500 0.093 0.000 2.154 141 R HA -0.160 4.180 4.340 0.000 0.000 0.248 141 R C 1.611 177.950 176.300 0.064 0.000 1.155 141 R CA 1.209 57.353 56.100 0.073 0.000 0.979 141 R CB -0.069 30.272 30.300 0.068 0.000 0.869 141 R HN 0.607 nan 8.270 nan 0.000 0.452 142 I N -0.763 119.850 120.570 0.071 0.000 2.339 142 I HA -0.147 4.023 4.170 0.000 0.000 0.245 142 I C 2.245 178.399 176.117 0.062 0.000 1.096 142 I CA 1.512 62.849 61.300 0.062 0.000 1.408 142 I CB -0.173 37.865 38.000 0.063 0.000 1.092 142 I HN 0.236 nan 8.210 nan 0.000 0.423 143 T N -2.943 111.656 114.554 0.075 0.000 3.010 143 T HA 0.325 4.675 4.350 0.000 0.000 0.257 143 T C 1.519 176.263 174.700 0.072 0.000 1.020 143 T CA 0.470 62.614 62.100 0.073 0.000 0.938 143 T CB 0.850 69.770 68.868 0.088 0.000 1.049 143 T HN 0.486 nan 8.240 nan 0.000 0.522 144 G N 1.566 110.410 108.800 0.073 0.000 2.184 144 G HA2 -0.261 3.699 3.960 0.000 0.000 0.264 144 G HA3 -0.261 3.699 3.960 0.000 0.000 0.264 144 G C 0.036 174.983 174.900 0.077 0.000 0.975 144 G CA 0.275 45.416 45.100 0.068 0.000 0.642 144 G HN 0.920 nan 8.290 nan 0.000 0.536 145 L N 1.120 122.400 121.223 0.095 0.000 2.540 145 L HA 0.586 4.926 4.340 0.000 0.000 0.276 145 L C 0.644 177.563 176.870 0.082 0.000 1.212 145 L CA 0.606 55.512 54.840 0.110 0.000 0.893 145 L CB 0.518 42.669 42.059 0.153 0.000 1.138 145 L HN 0.910 nan 8.230 nan 0.000 0.491 146 A N 5.890 128.750 122.820 0.066 0.000 2.305 146 A HA 0.661 4.981 4.320 0.000 0.000 0.322 146 A C -1.025 176.520 177.584 -0.065 0.000 1.187 146 A CA -0.605 51.445 52.037 0.022 0.000 0.825 146 A CB 0.960 19.979 19.000 0.031 0.000 1.164 146 A HN 0.794 nan 8.150 nan 0.000 0.498 147 L N 2.004 123.156 121.223 -0.118 0.000 2.356 147 L HA 0.647 4.987 4.340 0.000 0.000 0.277 147 L C -1.617 175.140 176.870 -0.188 0.000 0.996 147 L CA -0.310 54.332 54.840 -0.330 0.000 0.822 147 L CB 1.945 43.711 42.059 -0.488 0.000 1.256 147 L HN 0.566 nan 8.230 nan 0.000 0.413 148 D N 5.513 125.751 120.400 -0.271 0.000 2.381 148 D HA 0.431 5.071 4.640 0.000 0.000 0.235 148 D C -0.656 175.499 176.300 -0.242 0.000 1.068 148 D CA 0.187 54.081 54.000 -0.176 0.000 0.832 148 D CB 1.663 42.385 40.800 -0.130 0.000 1.101 148 D HN 0.453 nan 8.370 nan 0.000 0.515 149 L N 3.079 124.215 121.223 -0.146 0.000 2.265 149 L HA 0.348 4.688 4.340 0.000 0.000 0.288 149 L C 0.227 177.035 176.870 -0.103 0.000 1.058 149 L CA -0.709 53.994 54.840 -0.230 0.000 0.809 149 L CB 0.577 42.551 42.059 -0.142 0.000 1.179 149 L HN 0.111 nan 8.230 nan 0.000 0.429 150 N N 3.176 121.720 118.700 -0.259 0.000 2.430 150 N HA 0.418 5.159 4.740 0.000 0.000 0.292 150 N C -1.280 174.058 175.510 -0.285 0.000 1.051 150 N CA -0.377 52.592 53.050 -0.136 0.000 0.917 150 N CB 1.797 40.210 38.487 -0.124 0.000 1.164 150 N HN 0.327 nan 8.380 nan 0.000 0.484 151 Y N -0.153 120.085 120.300 -0.103 0.000 2.333 151 Y HA 0.240 4.790 4.550 0.000 0.000 0.324 151 Y C -0.265 175.587 175.900 -0.079 0.000 1.033 151 Y CA -0.646 57.383 58.100 -0.119 0.000 1.224 151 Y CB 1.344 39.734 38.460 -0.116 0.000 1.120 151 Y HN 0.282 nan 8.280 nan 0.000 0.457 152 S N 4.683 120.416 115.700 0.055 0.000 2.422 152 S HA 0.465 4.935 4.470 0.000 0.000 0.308 152 S C -0.357 174.247 174.600 0.006 0.000 1.097 152 S CA -0.585 57.625 58.200 0.018 0.000 1.099 152 S CB 0.613 63.873 63.200 0.098 0.000 0.976 152 S HN 0.640 nan 8.310 nan 0.000 0.471 153 I N 3.855 124.350 120.570 -0.126 0.000 2.342 153 I HA 0.388 4.558 4.170 0.000 0.000 0.291 153 I C -1.440 174.500 176.117 -0.295 0.000 1.010 153 I CA -0.771 60.467 61.300 -0.103 0.000 1.308 153 I CB 0.307 38.258 38.000 -0.081 0.000 1.400 153 I HN 0.506 nan 8.210 nan 0.000 0.488 154 F N 9.602 129.499 119.950 -0.088 0.000 2.366 154 F HA 0.395 4.922 4.527 0.000 0.000 0.357 154 F C -1.521 174.217 175.800 -0.102 0.000 1.107 154 F CA -1.776 56.169 58.000 -0.092 0.000 1.208 154 F CB 0.607 39.621 39.000 0.023 0.000 1.464 154 F HN 0.400 nan 8.300 nan 0.000 0.501 155 P HA -0.218 nan 4.420 nan 0.000 0.218 155 P C 1.101 178.350 177.300 -0.085 0.000 1.148 155 P CA 1.703 64.702 63.100 -0.170 0.000 0.822 155 P CB 0.176 31.653 31.700 -0.373 0.000 0.784 156 H N -0.917 118.239 119.070 0.143 0.000 2.548 156 H HA 0.154 4.710 4.556 0.000 0.000 0.265 156 H C 1.121 176.548 175.328 0.165 0.000 0.969 156 H CA 0.783 56.914 56.048 0.139 0.000 1.155 156 H CB 0.066 29.914 29.762 0.143 0.000 1.394 156 H HN 0.269 nan 8.280 nan 0.000 0.570 157 Q N -0.320 119.636 119.800 0.259 0.000 2.164 157 Q HA 0.108 4.448 4.340 0.000 0.000 0.226 157 Q C -0.165 175.903 176.000 0.113 0.000 0.813 157 Q CA -0.127 55.789 55.803 0.189 0.000 0.978 157 Q CB 1.090 29.962 28.738 0.223 0.000 1.149 157 Q HN 0.088 nan 8.270 nan 0.000 0.489 158 D N -0.213 120.268 120.400 0.135 0.000 2.772 158 D HA -0.143 4.497 4.640 0.000 0.000 0.233 158 D C -0.895 175.437 176.300 0.053 0.000 1.143 158 D CA 0.478 54.554 54.000 0.126 0.000 0.700 158 D CB -1.051 39.854 40.800 0.176 0.000 1.076 158 D HN 0.087 nan 8.370 nan 0.000 0.430 159 V N 0.971 120.867 119.914 -0.030 0.000 2.532 159 V HA 0.509 4.629 4.120 0.000 0.000 0.295 159 V C 0.821 176.866 176.094 -0.082 0.000 1.041 159 V CA -0.544 61.624 62.300 -0.220 0.000 0.926 159 V CB 2.269 33.606 31.823 -0.810 0.000 0.992 159 V HN 0.032 nan 8.190 nan 0.000 0.457 160 I N 4.407 124.921 120.570 -0.093 0.000 2.465 160 I HA 0.483 4.653 4.170 0.000 0.000 0.291 160 I C -0.794 175.260 176.117 -0.105 0.000 1.014 160 I CA -0.786 60.477 61.300 -0.061 0.000 1.093 160 I CB 2.143 40.070 38.000 -0.121 0.000 1.267 160 I HN 0.242 nan 8.210 nan 0.000 0.431 161 V N 6.419 126.316 119.914 -0.027 0.000 2.459 161 V HA 0.446 4.566 4.120 0.000 0.000 0.295 161 V C -0.168 175.861 176.094 -0.109 0.000 1.029 161 V CA -0.682 61.600 62.300 -0.031 0.000 0.874 161 V CB 1.727 33.621 31.823 0.118 0.000 0.985 161 V HN 0.656 nan 8.190 nan 0.000 0.438 162 K N 2.709 123.009 120.400 -0.167 0.000 2.371 162 K HA 0.838 5.158 4.320 0.000 0.000 0.251 162 K C -0.609 175.853 176.600 -0.231 0.000 0.934 162 K CA -0.455 55.640 56.287 -0.319 0.000 0.798 162 K CB 2.324 34.574 32.500 -0.416 0.000 1.204 162 K HN 0.900 nan 8.250 nan 0.000 0.427 163 S N 0.017 115.543 115.700 -0.290 0.000 2.615 163 S HA 0.830 5.300 4.470 0.000 0.000 0.269 163 S C -1.601 172.825 174.600 -0.290 0.000 1.161 163 S CA -1.006 57.066 58.200 -0.213 0.000 0.817 163 S CB 1.722 64.838 63.200 -0.140 0.000 1.131 163 S HN 0.631 nan 8.310 nan 0.000 0.467 164 A N 0.720 123.409 122.820 -0.218 0.000 2.374 164 A HA 0.887 5.207 4.320 0.000 0.000 0.317 164 A C -0.772 176.734 177.584 -0.129 0.000 1.094 164 A CA -0.806 51.050 52.037 -0.302 0.000 0.765 164 A CB 1.626 20.419 19.000 -0.346 0.000 1.268 164 A HN 0.934 nan 8.150 nan 0.000 0.438 165 K N 1.548 121.811 120.400 -0.228 0.000 2.507 165 K HA 0.610 4.930 4.320 0.000 0.000 0.251 165 K C -2.097 174.418 176.600 -0.141 0.000 0.943 165 K CA -0.387 55.865 56.287 -0.058 0.000 0.794 165 K CB 1.038 33.497 32.500 -0.067 0.000 1.188 165 K HN 0.498 nan 8.250 nan 0.000 0.428 166 F N 1.930 121.915 119.950 0.057 0.000 2.427 166 F HA 0.360 4.887 4.527 0.000 0.000 0.346 166 F C 0.036 175.894 175.800 0.098 0.000 1.120 166 F CA -0.350 57.697 58.000 0.079 0.000 1.033 166 F CB 2.234 41.319 39.000 0.141 0.000 1.126 166 F HN 0.298 nan 8.300 nan 0.000 0.462 167 T N 1.950 116.617 114.554 0.189 0.000 2.841 167 T HA 0.242 4.592 4.350 0.000 0.000 0.283 167 T C -0.542 174.250 174.700 0.153 0.000 1.000 167 T CA -0.873 61.321 62.100 0.156 0.000 0.977 167 T CB 1.443 70.366 68.868 0.090 0.000 0.979 167 T HN 0.342 nan 8.240 nan 0.000 0.446 168 N N 3.538 122.327 118.700 0.148 0.000 3.091 168 N HA 0.267 5.007 4.740 0.000 0.000 0.255 168 N C -1.688 173.876 175.510 0.090 0.000 1.204 168 N CA -2.486 50.639 53.050 0.124 0.000 0.990 168 N CB 0.880 39.444 38.487 0.128 0.000 1.260 168 N HN 0.258 nan 8.380 nan 0.000 0.502 169 P HA -0.061 nan 4.420 nan 0.000 0.230 169 P C 0.413 177.745 177.300 0.053 0.000 1.158 169 P CA 0.475 63.610 63.100 0.059 0.000 0.769 169 P CB 0.114 31.845 31.700 0.052 0.000 0.807 170 S N 0.320 116.055 115.700 0.058 0.000 2.640 170 S HA 0.187 4.657 4.470 0.000 0.000 0.262 170 S C 1.369 175.995 174.600 0.044 0.000 1.232 170 S CA 0.269 58.499 58.200 0.050 0.000 0.988 170 S CB 0.143 63.376 63.200 0.055 0.000 1.034 170 S HN 0.165 nan 8.310 nan 0.000 0.569 171 S N -1.386 114.337 115.700 0.037 0.000 2.523 171 S HA 0.278 4.748 4.470 0.000 0.000 0.217 171 S C 0.091 174.708 174.600 0.028 0.000 0.996 171 S CA -0.589 57.629 58.200 0.030 0.000 0.921 171 S CB -0.351 62.864 63.200 0.025 0.000 0.829 171 S HN 0.728 nan 8.310 nan 0.000 0.495 172 E N 1.693 121.911 120.200 0.031 0.000 2.214 172 E HA 0.304 4.654 4.350 0.000 0.000 0.274 172 E C -0.724 175.893 176.600 0.028 0.000 0.977 172 E CA -0.788 55.628 56.400 0.026 0.000 0.827 172 E CB 1.008 30.724 29.700 0.026 0.000 1.130 172 E HN 0.075 nan 8.360 nan 0.000 0.394 173 K N 2.656 123.066 120.400 0.017 0.000 2.451 173 K HA 0.145 4.465 4.320 0.000 0.000 0.280 173 K C -0.661 175.947 176.600 0.014 0.000 1.020 173 K CA 0.272 56.565 56.287 0.010 0.000 1.008 173 K CB 0.212 32.707 32.500 -0.009 0.000 0.917 173 K HN 0.414 nan 8.250 nan 0.000 0.478 174 L N 3.300 124.536 121.223 0.021 0.000 2.370 174 L HA 0.475 4.815 4.340 0.000 0.000 0.266 174 L C -0.724 176.146 176.870 -0.001 0.000 1.002 174 L CA -1.234 53.623 54.840 0.028 0.000 0.818 174 L CB 2.219 44.319 42.059 0.068 0.000 1.325 174 L HN 0.202 nan 8.230 nan 0.000 0.418 175 V N 3.524 123.427 119.914 -0.018 0.000 2.444 175 V HA 0.369 4.489 4.120 0.000 0.000 0.294 175 V C -0.056 175.995 176.094 -0.072 0.000 1.022 175 V CA -0.496 61.764 62.300 -0.066 0.000 0.850 175 V CB 1.890 33.660 31.823 -0.088 0.000 0.992 175 V HN 0.497 nan 8.190 nan 0.000 0.426 176 L N 5.054 126.199 121.223 -0.130 0.000 2.315 176 L HA 0.383 4.723 4.340 0.000 0.000 0.283 176 L C 1.143 177.921 176.870 -0.153 0.000 1.089 176 L CA -0.123 54.616 54.840 -0.169 0.000 0.833 176 L CB 0.501 42.339 42.059 -0.368 0.000 1.170 176 L HN 0.648 nan 8.230 nan 0.000 0.442 177 N N 3.099 121.773 118.700 -0.044 0.000 2.392 177 N HA 0.046 4.786 4.740 0.000 0.000 0.177 177 N C 0.285 175.896 175.510 0.168 0.000 1.066 177 N CA 0.353 53.402 53.050 -0.002 0.000 0.895 177 N CB 0.698 39.175 38.487 -0.016 0.000 0.988 177 N HN 0.535 nan 8.380 nan 0.000 0.457 178 R N 0.223 120.824 120.500 0.167 0.000 2.522 178 R HA 0.468 4.808 4.340 0.000 0.000 0.273 178 R C -2.103 174.229 176.300 0.052 0.000 1.133 178 R CA -0.346 55.819 56.100 0.107 0.000 0.969 178 R CB 1.258 31.559 30.300 0.002 0.000 1.235 178 R HN -0.081 nan 8.270 nan 0.000 0.433 179 A N 6.030 128.791 122.820 -0.099 0.000 3.127 179 A HA 0.326 4.647 4.320 0.000 0.000 0.319 179 A C -1.326 176.264 177.584 0.009 0.000 1.104 179 A CA -0.606 51.416 52.037 -0.025 0.000 0.802 179 A CB 0.491 19.381 19.000 -0.182 0.000 1.193 179 A HN 0.427 nan 8.150 nan 0.000 0.479 180 L N 0.706 121.978 121.223 0.082 0.000 2.436 180 L HA 0.359 4.699 4.340 0.000 0.000 0.265 180 L C 1.659 178.645 176.870 0.193 0.000 1.168 180 L CA 0.514 55.384 54.840 0.051 0.000 0.815 180 L CB 0.814 42.873 42.059 0.001 0.000 1.109 180 L HN 0.571 nan 8.230 nan 0.000 0.462 181 S N 0.113 115.860 115.700 0.078 0.000 2.387 181 S HA -0.024 4.446 4.470 0.000 0.000 0.226 181 S C 0.690 175.331 174.600 0.068 0.000 1.026 181 S CA 0.795 59.026 58.200 0.051 0.000 0.972 181 S CB 0.064 63.260 63.200 -0.007 0.000 0.814 181 S HN 0.647 nan 8.310 nan 0.000 0.477 182 S N 0.406 116.169 115.700 0.106 0.000 2.566 182 S HA 0.408 4.878 4.470 0.000 0.000 0.273 182 S C -1.489 173.179 174.600 0.113 0.000 1.157 182 S CA -0.761 57.498 58.200 0.098 0.000 0.938 182 S CB 1.576 64.826 63.200 0.083 0.000 1.087 182 S HN 0.327 nan 8.310 nan 0.000 0.474 183 Q N 3.895 123.776 119.800 0.134 0.000 2.333 183 Q HA 0.691 5.031 4.340 0.000 0.000 0.267 183 Q C -1.879 174.179 176.000 0.096 0.000 1.012 183 Q CA -0.883 54.961 55.803 0.069 0.000 0.824 183 Q CB 1.528 30.279 28.738 0.022 0.000 1.290 183 Q HN 0.614 nan 8.270 nan 0.000 0.449 184 L N 3.834 125.098 121.223 0.068 0.000 2.349 184 L HA 0.539 4.879 4.340 0.000 0.000 0.278 184 L C -1.711 175.155 176.870 -0.006 0.000 0.996 184 L CA -0.194 54.694 54.840 0.079 0.000 0.825 184 L CB 1.904 44.076 42.059 0.188 0.000 1.243 184 L HN 0.618 nan 8.230 nan 0.000 0.412 185 D N 5.142 125.532 120.400 -0.017 0.000 2.217 185 D HA 0.616 5.256 4.640 0.000 0.000 0.243 185 D C -0.799 175.474 176.300 -0.044 0.000 1.054 185 D CA 0.172 54.153 54.000 -0.032 0.000 0.838 185 D CB 1.920 42.709 40.800 -0.018 0.000 1.162 185 D HN 0.452 nan 8.370 nan 0.000 0.472 186 L N 3.258 124.461 121.223 -0.033 0.000 2.370 186 L HA 0.369 4.709 4.340 0.000 0.000 0.266 186 L C -1.596 175.306 176.870 0.052 0.000 1.002 186 L CA -2.030 52.806 54.840 -0.007 0.000 0.818 186 L CB 2.675 44.715 42.059 -0.031 0.000 1.325 186 L HN 0.131 nan 8.230 nan 0.000 0.418 187 P HA -0.112 nan 4.420 nan 0.000 0.222 187 P C -0.783 176.562 177.300 0.075 0.000 1.147 187 P CA 1.072 64.213 63.100 0.068 0.000 0.790 187 P CB 0.004 31.752 31.700 0.081 0.000 0.780 188 D N -3.168 117.299 120.400 0.112 0.000 2.895 188 D HA 0.567 5.207 4.640 0.000 0.000 0.320 188 D C -0.483 175.896 176.300 0.133 0.000 1.249 188 D CA -0.920 53.127 54.000 0.078 0.000 0.997 188 D CB 0.070 40.874 40.800 0.006 0.000 1.430 188 D HN -0.194 nan 8.370 nan 0.000 0.558 189 A N -0.820 122.030 122.820 0.050 0.000 2.630 189 A HA 0.309 4.630 4.320 0.000 0.000 0.287 189 A C -0.526 177.058 177.584 0.000 0.000 1.040 189 A CA -0.541 51.564 52.037 0.113 0.000 0.971 189 A CB -0.798 18.247 19.000 0.075 0.000 1.241 189 A HN 0.437 nan 8.150 nan 0.000 0.558 190 N N 0.846 119.404 118.700 -0.237 0.000 2.968 190 N HA 0.468 5.208 4.740 0.000 0.000 0.271 190 N C -1.427 173.826 175.510 -0.428 0.000 1.174 190 N CA 0.395 53.293 53.050 -0.253 0.000 1.096 190 N CB -0.069 38.296 38.487 -0.204 0.000 1.403 190 N HN 0.436 nan 8.380 nan 0.000 0.522 191 Y N -0.551 119.780 120.300 0.051 0.000 2.562 191 Y HA 0.350 4.900 4.550 0.000 0.000 0.345 191 Y C -0.466 175.461 175.900 0.045 0.000 1.045 191 Y CA -1.276 56.864 58.100 0.066 0.000 1.028 191 Y CB 1.512 40.024 38.460 0.086 0.000 1.297 191 Y HN 0.175 nan 8.280 nan 0.000 0.463 192 D N 1.832 122.364 120.400 0.221 0.000 2.175 192 D HA 0.299 4.939 4.640 0.000 0.000 0.248 192 D C -0.946 175.419 176.300 0.108 0.000 1.047 192 D CA -0.508 53.566 54.000 0.124 0.000 0.883 192 D CB 2.250 43.092 40.800 0.069 0.000 1.180 192 D HN 0.375 nan 8.370 nan 0.000 0.438 193 L N 2.843 124.107 121.223 0.068 0.000 2.281 193 L HA 0.376 4.716 4.340 0.000 0.000 0.285 193 L C -0.841 176.020 176.870 -0.015 0.000 1.074 193 L CA -0.030 54.818 54.840 0.013 0.000 0.817 193 L CB 0.134 42.189 42.059 -0.008 0.000 1.168 193 L HN 0.254 nan 8.230 nan 0.000 0.434 194 I N 5.925 126.447 120.570 -0.080 0.000 2.412 194 I HA 0.472 4.642 4.170 0.000 0.000 0.296 194 I C -0.140 175.792 176.117 -0.308 0.000 0.987 194 I CA -0.494 60.680 61.300 -0.210 0.000 1.180 194 I CB 1.502 39.347 38.000 -0.259 0.000 1.340 194 I HN 0.763 nan 8.210 nan 0.000 0.455 195 Q N 5.137 124.664 119.800 -0.455 0.000 2.553 195 Q HA 0.579 4.919 4.340 0.000 0.000 0.293 195 Q C -2.016 173.621 176.000 -0.606 0.000 1.038 195 Q CA -0.805 54.803 55.803 -0.326 0.000 0.777 195 Q CB 2.526 31.206 28.738 -0.096 0.000 1.487 195 Q HN 0.478 nan 8.270 nan 0.000 0.426 196 F N 0.825 120.851 119.950 0.126 0.000 2.577 196 F HA 0.506 5.033 4.527 0.000 0.000 0.344 196 F C -0.708 175.205 175.800 0.189 0.000 1.145 196 F CA -0.391 57.715 58.000 0.177 0.000 0.996 196 F CB 2.432 41.556 39.000 0.206 0.000 1.248 196 F HN 0.509 nan 8.300 nan 0.000 0.447 197 S N 1.058 116.953 115.700 0.325 0.000 2.568 197 S HA 0.991 5.461 4.470 0.000 0.000 0.293 197 S C 0.006 174.730 174.600 0.208 0.000 1.089 197 S CA -0.664 57.649 58.200 0.187 0.000 0.945 197 S CB 2.280 65.437 63.200 -0.072 0.000 1.077 197 S HN 0.994 nan 8.310 nan 0.000 0.485 198 G N 0.118 108.986 108.800 0.114 0.000 2.498 198 G HA2 0.554 4.514 3.960 0.000 0.000 0.181 198 G HA3 0.554 4.514 3.960 0.000 0.000 0.181 198 G C -0.758 174.186 174.900 0.074 0.000 1.169 198 G CA 0.367 45.491 45.100 0.039 0.000 0.992 198 G HN 0.937 nan 8.290 nan 0.000 0.490 199 T N -1.974 112.622 114.554 0.069 0.000 2.630 199 T HA 0.468 4.819 4.350 0.000 0.000 0.300 199 T C -1.725 173.041 174.700 0.110 0.000 1.261 199 T CA 0.160 62.343 62.100 0.139 0.000 1.060 199 T CB 0.518 69.459 68.868 0.122 0.000 1.670 199 T HN 1.220 nan 8.240 nan 0.000 0.473 200 W N 2.047 123.248 121.300 -0.165 0.000 2.314 200 W HA 0.350 5.010 4.660 0.000 0.000 0.339 200 W C 1.145 177.618 176.519 -0.076 0.000 1.293 200 W CA 1.630 58.805 57.345 -0.283 0.000 1.288 200 W CB -0.272 28.982 29.460 -0.344 0.000 1.186 200 W HN 1.275 nan 8.180 nan 0.000 0.566 201 A N 3.893 126.095 122.820 -1.030 0.000 3.420 201 A HA -0.339 3.981 4.320 0.000 0.000 0.269 201 A C 0.956 178.318 177.584 -0.369 0.000 1.122 201 A CA 1.904 53.397 52.037 -0.907 0.000 1.023 201 A CB -1.630 16.622 19.000 -1.247 0.000 1.099 201 A HN 0.781 nan 8.150 nan 0.000 0.860 202 R N -0.673 119.701 120.500 -0.210 0.000 2.648 202 R HA 0.341 4.681 4.340 0.000 0.000 0.341 202 R C -0.756 175.475 176.300 -0.114 0.000 1.154 202 R CA -0.350 55.666 56.100 -0.139 0.000 1.228 202 R CB 0.485 30.667 30.300 -0.198 0.000 1.311 202 R HN 0.516 nan 8.270 nan 0.000 0.659 203 E N 0.875 121.074 120.200 -0.001 0.000 2.390 203 E HA 0.192 4.542 4.350 0.000 0.000 0.261 203 E C 0.102 176.821 176.600 0.198 0.000 1.076 203 E CA -0.387 56.066 56.400 0.087 0.000 0.905 203 E CB 0.411 30.146 29.700 0.058 0.000 0.984 203 E HN 0.081 nan 8.360 nan 0.000 0.427 204 R N 0.863 121.513 120.500 0.250 0.000 3.627 204 R HA -0.234 4.106 4.340 0.000 0.000 0.281 204 R C -0.631 176.002 176.300 0.555 0.000 1.140 204 R CA 0.342 56.675 56.100 0.389 0.000 0.761 204 R CB -2.229 28.203 30.300 0.221 0.000 1.181 204 R HN 0.639 nan 8.270 nan 0.000 0.472 205 H N 0.192 119.447 119.070 0.308 0.000 2.871 205 H HA 0.102 4.658 4.556 0.000 0.000 0.355 205 H C 0.698 175.937 175.328 -0.148 0.000 1.092 205 H CA -0.104 56.036 56.048 0.154 0.000 1.420 205 H CB 0.771 30.672 29.762 0.231 0.000 1.400 205 H HN 0.133 nan 8.280 nan 0.000 0.604 206 L N 4.326 125.026 121.223 -0.872 0.000 2.290 206 L HA 0.245 4.585 4.340 0.000 0.000 0.284 206 L C -1.267 175.132 176.870 -0.786 0.000 1.078 206 L CA -0.446 53.809 54.840 -0.975 0.000 0.815 206 L CB 0.017 41.347 42.059 -1.214 0.000 1.162 206 L HN 0.519 nan 8.230 nan 0.000 0.435 207 Y N 4.412 124.459 120.300 -0.421 0.000 2.468 207 Y HA 0.608 5.158 4.550 0.000 0.000 0.342 207 Y C -0.163 175.664 175.900 -0.122 0.000 1.021 207 Y CA -0.757 57.262 58.100 -0.135 0.000 1.079 207 Y CB 1.787 40.257 38.460 0.018 0.000 1.226 207 Y HN 0.520 nan 8.280 nan 0.000 0.460 208 R N 2.797 123.346 120.500 0.082 0.000 2.518 208 R HA 0.413 4.753 4.340 0.000 0.000 0.296 208 R C -2.180 173.979 176.300 -0.234 0.000 1.080 208 R CA -0.370 55.693 56.100 -0.062 0.000 0.922 208 R CB 0.575 30.787 30.300 -0.146 0.000 1.184 208 R HN 0.831 nan 8.270 nan 0.000 0.445 209 H N 3.715 122.778 119.070 -0.011 0.000 2.865 209 H HA 0.312 4.868 4.556 0.000 0.000 0.362 209 H C -2.572 172.760 175.328 0.007 0.000 1.114 209 H CA -1.987 54.062 56.048 0.003 0.000 1.208 209 H CB 2.385 32.148 29.762 0.003 0.000 1.727 209 H HN 0.392 nan 8.280 nan 0.000 0.534 210 P HA -0.036 nan 4.420 nan 0.000 0.269 210 P C -0.030 177.318 177.300 0.079 0.000 1.209 210 P CA -0.532 62.612 63.100 0.073 0.000 0.776 210 P CB 0.676 32.402 31.700 0.044 0.000 0.876 211 L N 3.744 125.012 121.223 0.075 0.000 2.483 211 L HA 0.153 4.493 4.340 0.000 0.000 0.276 211 L C 1.103 177.993 176.870 0.035 0.000 1.213 211 L CA 0.842 55.716 54.840 0.056 0.000 0.843 211 L CB -0.449 41.658 42.059 0.081 0.000 1.107 211 L HN 0.523 nan 8.230 nan 0.000 0.487 212 R N 1.969 122.478 120.500 0.015 0.000 2.774 212 R HA 0.706 5.046 4.340 0.000 0.000 0.272 212 R C -2.739 173.555 176.300 -0.011 0.000 1.000 212 R CA -2.016 54.086 56.100 0.003 0.000 0.906 212 R CB 0.134 30.435 30.300 0.001 0.000 1.227 212 R HN 0.253 nan 8.270 nan 0.000 0.468 213 P HA 0.187 nan 4.420 nan 0.000 0.265 213 P C 0.121 177.399 177.300 -0.037 0.000 1.187 213 P CA 1.187 64.269 63.100 -0.030 0.000 0.766 213 P CB 0.566 32.243 31.700 -0.037 0.000 0.820 217 S N 2.531 118.172 115.700 -0.099 0.000 2.550 217 S HA 0.873 5.343 4.470 0.000 0.000 0.270 217 S C -0.221 174.320 174.600 -0.099 0.000 1.145 217 S CA -0.808 57.333 58.200 -0.098 0.000 0.852 217 S CB 2.005 65.141 63.200 -0.106 0.000 1.119 217 S HN 0.836 nan 8.310 nan 0.000 0.465 218 I N -0.426 120.100 120.570 -0.073 0.000 2.797 218 I HA 0.945 5.115 4.170 0.000 0.000 0.307 218 I C -0.583 175.382 176.117 -0.254 0.000 1.033 218 I CA -0.729 60.523 61.300 -0.081 0.000 1.071 218 I CB 1.376 39.408 38.000 0.053 0.000 1.255 218 I HN 1.124 nan 8.210 nan 0.000 0.445 219 S N 2.427 117.862 115.700 -0.441 0.000 2.595 219 S HA 0.565 5.035 4.470 0.000 0.000 0.270 219 S C -0.953 173.241 174.600 -0.677 0.000 1.145 219 S CA -0.738 56.956 58.200 -0.843 0.000 0.825 219 S CB 1.519 64.447 63.200 -0.453 0.000 1.107 219 S HN 0.951 nan 8.310 nan 0.000 0.461 220 S N -0.381 114.915 115.700 -0.673 0.000 2.566 220 S HA 0.771 5.241 4.470 0.000 0.000 0.298 220 S C -0.534 173.978 174.600 -0.147 0.000 1.083 220 S CA -0.868 57.188 58.200 -0.240 0.000 0.978 220 S CB 1.085 64.283 63.200 -0.003 0.000 1.073 220 S HN 0.732 nan 8.310 nan 0.000 0.491 221 L N 2.673 123.831 121.223 -0.107 0.000 3.184 221 L HA 0.378 4.718 4.340 0.000 0.000 0.283 221 L C 0.523 177.362 176.870 -0.052 0.000 1.218 221 L CA -0.172 54.632 54.840 -0.061 0.000 1.028 221 L CB 0.295 42.316 42.059 -0.064 0.000 1.400 221 L HN 0.458 nan 8.230 nan 0.000 0.591 225 S N 1.594 117.407 115.700 0.187 0.000 2.558 225 S HA 0.437 4.907 4.470 0.000 0.000 0.293 225 S C 0.745 175.488 174.600 0.238 0.000 1.292 225 S CA 0.396 58.766 58.200 0.284 0.000 1.063 225 S CB 0.243 63.506 63.200 0.106 0.000 0.831 225 S HN 2.135 nan 8.310 nan 0.000 0.499 226 S N 1.754 117.631 115.700 0.295 0.000 2.661 226 S HA 0.302 4.772 4.470 0.000 0.000 0.265 226 S C 0.651 175.362 174.600 0.185 0.000 1.225 226 S CA -0.505 57.818 58.200 0.204 0.000 0.986 226 S CB -0.141 63.133 63.200 0.124 0.000 1.008 226 S HN 0.803 nan 8.310 nan 0.000 0.565 227 H N -0.098 119.151 119.070 0.298 0.000 2.457 227 H HA 0.002 4.558 4.556 0.000 0.000 0.294 227 H C 2.075 177.515 175.328 0.186 0.000 1.064 227 H CA 1.837 58.035 56.048 0.249 0.000 1.330 227 H CB -0.046 29.899 29.762 0.305 0.000 1.395 227 H HN 0.543 nan 8.280 nan 0.000 0.541 228 Q N -0.200 119.768 119.800 0.279 0.000 2.137 228 Q HA 0.064 4.404 4.340 0.000 0.000 0.198 228 Q C -0.041 176.059 176.000 0.167 0.000 0.960 228 Q CA 0.832 56.742 55.803 0.178 0.000 0.847 228 Q CB 0.720 29.516 28.738 0.097 0.000 0.915 228 Q HN 0.314 nan 8.270 nan 0.000 0.448 229 Q N 0.001 119.937 119.800 0.227 0.000 2.268 229 Q HA 0.321 4.661 4.340 0.000 0.000 0.266 229 Q C -1.420 174.843 176.000 0.439 0.000 1.006 229 Q CA -0.389 55.592 55.803 0.296 0.000 0.824 229 Q CB 1.785 30.668 28.738 0.242 0.000 1.306 229 Q HN 0.087 nan 8.270 nan 0.000 0.424 230 N N 2.136 121.057 118.700 0.369 0.000 2.509 230 N HA 0.344 5.084 4.740 0.000 0.000 0.287 230 N C -1.803 173.747 175.510 0.066 0.000 1.121 230 N CA -1.572 51.622 53.050 0.240 0.000 0.977 230 N CB 1.291 39.962 38.487 0.308 0.000 1.167 230 N HN 0.085 nan 8.380 nan 0.000 0.476 231 P HA -0.055 nan 4.420 nan 0.000 0.220 231 P C -0.181 177.141 177.300 0.036 0.000 1.148 231 P CA 0.749 63.492 63.100 -0.594 0.000 0.803 231 P CB 0.037 31.375 31.700 -0.602 0.000 0.782 236 A N 3.393 126.353 122.820 0.233 0.000 2.380 236 A HA 0.917 5.237 4.320 0.000 0.000 0.315 236 A C -0.583 177.208 177.584 0.344 0.000 1.101 236 A CA -0.751 51.432 52.037 0.243 0.000 0.771 236 A CB 1.816 20.894 19.000 0.130 0.000 1.287 236 A HN 0.606 nan 8.150 nan 0.000 0.436 237 R N 1.073 121.740 120.500 0.279 0.000 2.641 237 R HA 0.216 4.556 4.340 0.000 0.000 0.269 237 R C -1.845 174.510 176.300 0.091 0.000 1.074 237 R CA -1.965 54.235 56.100 0.165 0.000 1.133 237 R CB -0.325 30.039 30.300 0.106 0.000 1.029 237 R HN 0.418 nan 8.270 nan 0.000 0.488 238 P HA -0.135 nan 4.420 nan 0.000 0.216 238 P C 0.497 177.811 177.300 0.024 0.000 1.150 238 P CA 1.345 64.460 63.100 0.026 0.000 0.843 238 P CB 0.356 32.057 31.700 0.002 0.000 0.787 239 Q N -1.934 117.880 119.800 0.023 0.000 2.246 239 Q HA 0.141 4.481 4.340 0.000 0.000 0.202 239 Q C 0.051 176.067 176.000 0.027 0.000 0.883 239 Q CA 0.282 56.096 55.803 0.019 0.000 0.952 239 Q CB -0.605 28.140 28.738 0.011 0.000 1.078 239 Q HN 0.098 nan 8.270 nan 0.000 0.493 240 T N 0.755 115.333 114.554 0.040 0.000 2.897 240 T HA 0.441 4.791 4.350 0.000 0.000 0.294 240 T C 0.289 175.023 174.700 0.056 0.000 1.004 240 T CA 0.018 62.144 62.100 0.043 0.000 1.106 240 T CB 0.890 69.788 68.868 0.049 0.000 0.949 240 T HN 0.383 nan 8.240 nan 0.000 0.520 241 T N -0.848 113.743 114.554 0.060 0.000 2.742 241 T HA 0.385 4.735 4.350 0.000 0.000 0.282 241 T C 0.507 175.279 174.700 0.120 0.000 1.025 241 T CA -0.806 61.348 62.100 0.090 0.000 1.020 241 T CB 1.119 70.026 68.868 0.065 0.000 1.317 241 T HN 0.283 nan 8.240 nan 0.000 0.538 242 D N 0.047 120.542 120.400 0.159 0.000 2.310 242 D HA 0.011 4.651 4.640 0.000 0.000 0.212 242 D C 1.324 177.678 176.300 0.091 0.000 0.965 242 D CA 1.022 55.117 54.000 0.160 0.000 0.879 242 D CB 0.272 41.185 40.800 0.187 0.000 0.921 242 D HN 0.644 nan 8.370 nan 0.000 0.510 243 E N -0.616 119.624 120.200 0.067 0.000 2.413 243 E HA 0.063 4.414 4.350 0.000 0.000 0.203 243 E C 0.576 177.190 176.600 0.024 0.000 0.957 243 E CA -0.025 56.403 56.400 0.046 0.000 0.950 243 E CB 0.654 30.370 29.700 0.027 0.000 0.957 243 E HN 0.247 nan 8.360 nan 0.000 0.497 244 Q N -0.897 118.912 119.800 0.016 0.000 2.522 244 Q HA 0.554 4.894 4.340 0.000 0.000 0.285 244 Q C -0.651 175.343 176.000 -0.010 0.000 0.982 244 Q CA -0.678 55.124 55.803 -0.002 0.000 0.805 244 Q CB 1.978 30.716 28.738 0.001 0.000 1.457 244 Q HN 0.058 nan 8.270 nan 0.000 0.394 245 G N 0.068 108.850 108.800 -0.030 0.000 2.617 245 G HA2 0.356 4.317 3.960 0.000 0.000 0.686 245 G HA3 0.356 4.317 3.960 0.000 0.000 0.686 245 G C -0.531 174.313 174.900 -0.093 0.000 1.214 245 G CA -0.435 44.647 45.100 -0.031 0.000 0.796 245 G HN 1.248 nan 8.290 nan 0.000 0.654 246 A N -0.318 122.461 122.820 -0.069 0.000 2.511 246 A HA 0.734 5.054 4.320 0.000 0.000 0.242 246 A C 0.751 178.234 177.584 -0.169 0.000 1.069 246 A CA 0.844 52.785 52.037 -0.159 0.000 0.763 246 A CB 0.985 20.044 19.000 0.099 0.000 1.001 246 A HN 2.458 nan 8.150 nan 0.000 0.498 247 V N 3.300 122.927 119.914 -0.479 0.000 3.098 247 V HA 0.669 4.789 4.120 0.000 0.000 0.294 247 V C -1.852 173.961 176.094 -0.468 0.000 1.351 247 V CA -0.819 61.330 62.300 -0.251 0.000 0.999 247 V CB 1.783 33.546 31.823 -0.099 0.000 1.104 247 V HN 0.783 nan 8.190 nan 0.000 0.438 248 F N 3.580 123.481 119.950 -0.081 0.000 2.480 248 F HA 0.873 5.400 4.527 0.000 0.000 0.329 248 F C 0.899 176.612 175.800 -0.145 0.000 1.091 248 F CA 0.058 57.971 58.000 -0.145 0.000 0.972 248 F CB 2.302 41.209 39.000 -0.154 0.000 1.150 248 F HN 0.703 nan 8.300 nan 0.000 0.467 249 G N 1.525 110.284 108.800 -0.068 0.000 2.432 249 G HA2 0.713 4.673 3.960 0.000 0.000 0.331 249 G HA3 0.713 4.673 3.960 0.000 0.000 0.331 249 G C -1.922 172.818 174.900 -0.266 0.000 1.170 249 G CA -0.496 44.625 45.100 0.035 0.000 0.943 249 G HN 0.400 nan 8.290 nan 0.000 0.483 250 F N 0.706 120.758 119.950 0.170 0.000 2.588 250 F HA 0.463 4.990 4.527 0.000 0.000 0.318 250 F C -0.107 175.835 175.800 0.237 0.000 1.155 250 F CA -0.954 57.138 58.000 0.152 0.000 0.967 250 F CB 2.663 41.698 39.000 0.058 0.000 1.236 250 F HN 0.364 nan 8.300 nan 0.000 0.455 251 N N 1.931 120.851 118.700 0.368 0.000 2.571 251 N HA 0.575 5.315 4.740 0.000 0.000 0.273 251 N C -2.004 173.614 175.510 0.181 0.000 1.340 251 N CA -0.492 52.735 53.050 0.296 0.000 0.789 251 N CB 2.642 41.292 38.487 0.273 0.000 1.514 251 N HN 0.589 nan 8.380 nan 0.000 0.499 252 L N 1.724 123.020 121.223 0.122 0.000 2.349 252 L HA 0.423 4.763 4.340 0.000 0.000 0.278 252 L C -0.406 176.520 176.870 0.093 0.000 0.996 252 L CA -0.877 54.025 54.840 0.104 0.000 0.825 252 L CB 1.897 44.014 42.059 0.097 0.000 1.243 252 L HN 0.301 nan 8.230 nan 0.000 0.412 253 V N 5.005 124.969 119.914 0.083 0.000 2.055 253 V HA 0.165 4.285 4.120 0.000 0.000 0.248 253 V C -0.688 175.497 176.094 0.152 0.000 1.476 253 V CA -0.167 62.160 62.300 0.045 0.000 1.417 253 V CB -1.057 30.758 31.823 -0.014 0.000 1.465 253 V HN 0.524 nan 8.190 nan 0.000 0.502 254 Y N 1.308 121.629 120.300 0.035 0.000 2.565 254 Y HA 0.417 4.967 4.550 0.000 0.000 0.330 254 Y C 0.499 176.488 175.900 0.149 0.000 1.150 254 Y CA -0.621 57.562 58.100 0.139 0.000 1.055 254 Y CB 2.139 40.677 38.460 0.131 0.000 1.337 254 Y HN 0.139 nan 8.280 nan 0.000 0.457 255 S N 1.672 117.102 115.700 -0.449 0.000 2.701 255 S HA 0.351 4.821 4.470 0.000 0.000 0.242 255 S C 0.413 174.847 174.600 -0.277 0.000 1.025 255 S CA 0.155 58.203 58.200 -0.252 0.000 1.016 255 S CB 0.874 63.972 63.200 -0.171 0.000 0.977 255 S HN 0.925 nan 8.310 nan 0.000 0.546 256 G N 1.661 110.146 108.800 -0.526 0.000 2.736 256 G HA2 0.359 4.319 3.960 0.000 0.000 0.229 256 G HA3 0.359 4.319 3.960 0.000 0.000 0.229 256 G C -0.525 174.590 174.900 0.360 0.000 1.380 256 G CA -0.811 44.280 45.100 -0.015 0.000 1.040 256 G HN 0.205 nan 8.290 nan 0.000 0.568 257 N N 0.698 119.623 118.700 0.375 0.000 2.365 257 N HA 0.194 4.934 4.740 0.000 0.000 0.265 257 N C -0.545 175.192 175.510 0.379 0.000 1.288 257 N CA 0.425 53.649 53.050 0.290 0.000 0.869 257 N CB 0.018 38.614 38.487 0.181 0.000 1.071 257 N HN 0.411 nan 8.380 nan 0.000 0.480 258 F N 0.651 120.690 119.950 0.147 0.000 2.631 258 F HA 0.796 5.323 4.527 0.000 0.000 0.328 258 F C -1.175 174.640 175.800 0.025 0.000 1.067 258 F CA -1.511 56.546 58.000 0.096 0.000 0.969 258 F CB 1.028 40.121 39.000 0.155 0.000 1.332 258 F HN 0.191 nan 8.300 nan 0.000 0.490 259 L N 2.195 123.419 121.223 0.002 0.000 2.438 259 L HA 0.564 4.905 4.340 0.000 0.000 0.270 259 L C -1.950 174.983 176.870 0.106 0.000 0.972 259 L CA -0.167 54.593 54.840 -0.134 0.000 0.831 259 L CB 1.756 43.740 42.059 -0.125 0.000 1.273 259 L HN 0.662 nan 8.230 nan 0.000 0.405 260 D N 4.612 125.068 120.400 0.093 0.000 2.344 260 D HA 0.782 5.422 4.640 0.000 0.000 0.239 260 D C -0.903 175.366 176.300 -0.053 0.000 1.064 260 D CA 0.150 54.195 54.000 0.074 0.000 0.829 260 D CB 2.055 42.957 40.800 0.170 0.000 1.129 260 D HN 0.728 nan 8.370 nan 0.000 0.506 261 A N 2.757 125.512 122.820 -0.108 0.000 2.427 261 A HA 0.697 5.017 4.320 0.000 0.000 0.298 261 A C -0.959 176.533 177.584 -0.153 0.000 1.036 261 A CA -0.614 51.351 52.037 -0.120 0.000 0.701 261 A CB 0.761 19.698 19.000 -0.106 0.000 1.250 261 A HN 0.501 nan 8.150 nan 0.000 0.412 262 I N 1.559 122.046 120.570 -0.138 0.000 2.418 262 I HA 0.398 4.569 4.170 0.000 0.000 0.287 262 I C -0.071 175.991 176.117 -0.091 0.000 1.008 262 I CA -0.124 61.095 61.300 -0.135 0.000 1.104 262 I CB 2.006 39.922 38.000 -0.140 0.000 1.264 262 I HN 0.783 nan 8.210 nan 0.000 0.438 263 E N 6.060 126.212 120.200 -0.080 0.000 2.145 263 E HA 0.527 4.877 4.350 0.000 0.000 0.270 263 E C -1.543 175.033 176.600 -0.040 0.000 0.906 263 E CA -0.671 55.694 56.400 -0.059 0.000 0.761 263 E CB 1.823 31.487 29.700 -0.059 0.000 1.116 263 E HN 0.350 nan 8.360 nan 0.000 0.408 264 V N 5.469 125.365 119.914 -0.030 0.000 2.370 264 V HA 0.156 4.276 4.120 0.000 0.000 0.279 264 V C 0.196 176.273 176.094 -0.028 0.000 1.029 264 V CA -0.636 61.655 62.300 -0.014 0.000 0.870 264 V CB 1.137 32.958 31.823 -0.003 0.000 0.984 264 V HN 0.769 nan 8.190 nan 0.000 0.451 265 D N 3.696 124.083 120.400 -0.023 0.000 2.539 265 D HA 0.121 4.761 4.640 0.000 0.000 0.276 265 D C 1.203 177.440 176.300 -0.104 0.000 1.206 265 D CA -0.526 53.442 54.000 -0.052 0.000 1.081 265 D CB 0.597 41.381 40.800 -0.027 0.000 1.142 265 D HN 0.518 nan 8.370 nan 0.000 0.595 266 Q N -1.266 118.399 119.800 -0.224 0.000 2.297 266 Q HA -0.209 4.131 4.340 0.000 0.000 0.208 266 Q C 0.555 176.304 176.000 -0.418 0.000 0.981 266 Q CA 1.449 57.019 55.803 -0.388 0.000 0.876 266 Q CB -0.598 27.762 28.738 -0.629 0.000 0.921 266 Q HN 0.523 nan 8.270 nan 0.000 0.446 267 Y N 0.198 120.483 120.300 -0.026 0.000 2.524 267 Y HA 0.331 4.881 4.550 0.000 0.000 0.266 267 Y C 0.511 176.402 175.900 -0.016 0.000 1.180 267 Y CA -0.460 57.626 58.100 -0.024 0.000 1.244 267 Y CB 0.718 39.160 38.460 -0.030 0.000 1.125 267 Y HN 0.038 nan 8.280 nan 0.000 0.524 268 S N 0.828 116.571 115.700 0.072 0.000 3.698 268 S HA -0.176 4.294 4.470 0.000 0.000 0.338 268 S C 0.394 175.034 174.600 0.067 0.000 1.089 268 S CA 0.885 59.116 58.200 0.052 0.000 0.991 268 S CB -1.341 61.885 63.200 0.043 0.000 0.909 268 S HN 0.715 nan 8.310 nan 0.000 0.485 269 T N -1.065 113.534 114.554 0.075 0.000 2.952 269 T HA 0.799 5.149 4.350 0.000 0.000 0.286 269 T C -0.171 174.557 174.700 0.048 0.000 1.024 269 T CA -0.343 61.798 62.100 0.068 0.000 1.029 269 T CB 1.986 70.893 68.868 0.066 0.000 1.094 269 T HN 0.196 nan 8.240 nan 0.000 0.515 270 S N 0.690 116.416 115.700 0.043 0.000 2.482 270 S HA 0.599 5.069 4.470 0.000 0.000 0.303 270 S C -0.498 174.082 174.600 -0.034 0.000 1.091 270 S CA -0.942 57.263 58.200 0.007 0.000 1.057 270 S CB 1.261 64.472 63.200 0.019 0.000 1.031 270 S HN 0.824 nan 8.310 nan 0.000 0.485 271 R N 2.325 122.793 120.500 -0.055 0.000 2.387 271 R HA 0.591 4.931 4.340 0.000 0.000 0.314 271 R C -1.640 174.589 176.300 -0.119 0.000 0.958 271 R CA -0.561 55.495 56.100 -0.073 0.000 0.846 271 R CB 0.384 30.647 30.300 -0.061 0.000 1.147 271 R HN 0.585 nan 8.270 nan 0.000 0.447 272 I N 5.962 126.445 120.570 -0.146 0.000 2.355 272 I HA 0.293 4.463 4.170 0.000 0.000 0.288 272 I C -0.727 175.283 176.117 -0.179 0.000 0.999 272 I CA -0.293 60.857 61.300 -0.249 0.000 1.163 272 I CB 1.642 39.365 38.000 -0.461 0.000 1.316 272 I HN 0.422 nan 8.210 nan 0.000 0.454 273 L N 6.378 127.500 121.223 -0.168 0.000 2.333 273 L HA 0.721 5.061 4.340 0.000 0.000 0.280 273 L C -0.040 176.782 176.870 -0.079 0.000 1.004 273 L CA -0.404 54.376 54.840 -0.099 0.000 0.820 273 L CB 1.970 43.971 42.059 -0.095 0.000 1.247 273 L HN 0.655 nan 8.230 nan 0.000 0.416 274 T N -0.281 114.262 114.554 -0.017 0.000 2.900 274 T HA 0.950 5.300 4.350 0.000 0.000 0.295 274 T C -0.229 174.495 174.700 0.040 0.000 1.044 274 T CA -0.191 61.933 62.100 0.039 0.000 0.995 274 T CB 2.443 71.361 68.868 0.085 0.000 1.072 274 T HN 0.938 nan 8.240 nan 0.000 0.473 275 G N 1.624 110.452 108.800 0.048 0.000 2.351 275 G HA2 0.354 4.314 3.960 0.000 0.000 0.279 275 G HA3 0.354 4.314 3.960 0.000 0.000 0.279 275 G C -1.297 173.547 174.900 -0.092 0.000 1.297 275 G CA -0.874 44.202 45.100 -0.041 0.000 0.886 275 G HN 0.967 nan 8.290 nan 0.000 0.493 276 I N 1.451 121.834 120.570 -0.311 0.000 2.648 276 I HA 0.062 4.232 4.170 0.000 0.000 0.284 276 I C 1.111 177.052 176.117 -0.293 0.000 1.153 276 I CA 0.002 61.065 61.300 -0.395 0.000 1.426 276 I CB 0.703 38.258 38.000 -0.741 0.000 1.381 276 I HN 0.529 nan 8.210 nan 0.000 0.571 277 N N 7.481 126.093 118.700 -0.146 0.000 2.411 277 N HA 0.003 4.744 4.740 0.000 0.000 0.265 277 N C -1.699 173.721 175.510 -0.149 0.000 1.266 277 N CA -1.108 51.863 53.050 -0.132 0.000 0.889 277 N CB 0.933 39.366 38.487 -0.091 0.000 1.069 277 N HN 0.316 nan 8.380 nan 0.000 0.476 278 P HA -0.112 nan 4.420 nan 0.000 0.216 278 P C -0.645 176.694 177.300 0.064 0.000 1.150 278 P CA 1.102 64.181 63.100 -0.035 0.000 0.837 278 P CB 0.137 31.807 31.700 -0.049 0.000 0.786 279 D N 1.293 121.702 120.400 0.016 0.000 2.425 279 D HA 0.012 4.652 4.640 0.000 0.000 0.247 279 D C 0.665 177.012 176.300 0.077 0.000 1.147 279 D CA 0.548 54.567 54.000 0.031 0.000 0.879 279 D CB -0.024 40.769 40.800 -0.012 0.000 1.179 279 D HN 0.023 nan 8.370 nan 0.000 0.456 280 E N 0.623 120.874 120.200 0.085 0.000 2.416 280 E HA -0.256 4.094 4.350 0.000 0.000 0.249 280 E C -0.732 175.991 176.600 0.204 0.000 1.124 280 E CA 0.532 56.995 56.400 0.106 0.000 0.732 280 E CB -1.823 27.929 29.700 0.087 0.000 1.286 280 E HN 0.479 nan 8.360 nan 0.000 0.394 281 F N -0.712 119.245 119.950 0.012 0.000 2.604 281 F HA 0.594 5.121 4.527 0.000 0.000 0.316 281 F C -0.370 175.424 175.800 -0.011 0.000 1.136 281 F CA 0.261 58.274 58.000 0.022 0.000 0.989 281 F CB 2.067 41.064 39.000 -0.005 0.000 1.258 281 F HN 0.028 nan 8.300 nan 0.000 0.451 282 G N 4.957 113.222 108.800 -0.891 0.000 2.334 282 G HA2 0.199 4.159 3.960 0.000 0.000 0.290 282 G HA3 0.199 4.159 3.960 0.000 0.000 0.290 282 G C -2.497 171.994 174.900 -0.681 0.000 1.310 282 G CA -0.606 44.039 45.100 -0.757 0.000 1.308 282 G HN 0.732 nan 8.290 nan 0.000 0.612 283 W N 4.224 124.937 121.300 -0.979 0.000 2.361 283 W HA 0.325 4.985 4.660 0.000 0.000 0.309 283 W C -0.624 175.687 176.519 -0.346 0.000 1.122 283 W CA -0.716 56.258 57.345 -0.618 0.000 1.208 283 W CB 1.222 30.232 29.460 -0.750 0.000 1.246 283 W HN 0.333 nan 8.180 nan 0.000 0.490 284 N N 5.827 124.183 118.700 -0.573 0.000 2.401 284 N HA 0.060 4.800 4.740 0.000 0.000 0.255 284 N C -0.782 174.564 175.510 -0.273 0.000 1.110 284 N CA -0.108 52.722 53.050 -0.366 0.000 0.949 284 N CB 1.379 39.660 38.487 -0.342 0.000 1.110 284 N HN 0.275 nan 8.380 nan 0.000 0.490 285 L N 3.248 124.446 121.223 -0.042 0.000 2.314 285 L HA 0.396 4.736 4.340 0.000 0.000 0.275 285 L C 0.236 177.144 176.870 0.063 0.000 1.068 285 L CA -0.384 54.523 54.840 0.111 0.000 0.894 285 L CB 0.273 42.438 42.059 0.176 0.000 1.275 285 L HN 0.445 nan 8.230 nan 0.000 0.432 286 A N 5.949 128.797 122.820 0.046 0.000 2.280 286 A HA 0.685 5.005 4.320 0.000 0.000 0.268 286 A C -2.409 175.210 177.584 0.059 0.000 1.111 286 A CA -1.333 50.722 52.037 0.030 0.000 0.814 286 A CB -0.391 18.615 19.000 0.009 0.000 1.093 286 A HN 0.579 nan 8.150 nan 0.000 0.498 287 P HA 0.148 nan 4.420 nan 0.000 0.267 287 P C -0.344 176.992 177.300 0.061 0.000 1.209 287 P CA 0.586 63.718 63.100 0.053 0.000 0.763 287 P CB 0.650 32.373 31.700 0.038 0.000 0.816 288 Q N -1.090 118.753 119.800 0.073 0.000 2.360 288 Q HA -0.194 4.146 4.340 0.000 0.000 0.192 288 Q C 0.376 176.435 176.000 0.098 0.000 0.615 288 Q CA 1.535 57.383 55.803 0.075 0.000 1.355 288 Q CB -2.407 26.366 28.738 0.058 0.000 1.324 288 Q HN 0.647 nan 8.270 nan 0.000 0.885 289 A N 1.031 123.923 122.820 0.121 0.000 2.296 289 A HA 0.657 4.977 4.320 0.000 0.000 0.264 289 A C 0.731 178.440 177.584 0.207 0.000 1.097 289 A CA 0.806 52.942 52.037 0.166 0.000 0.811 289 A CB 0.571 19.685 19.000 0.190 0.000 1.072 289 A HN 0.443 nan 8.150 nan 0.000 0.495 290 T N -2.356 112.346 114.554 0.248 0.000 2.906 290 T HA 0.638 4.988 4.350 0.000 0.000 0.295 290 T C -1.082 173.815 174.700 0.329 0.000 1.061 290 T CA -0.375 61.877 62.100 0.254 0.000 1.000 290 T CB 1.233 70.194 68.868 0.155 0.000 1.103 290 T HN 0.806 nan 8.240 nan 0.000 0.486 291 F N 2.069 122.106 119.950 0.144 0.000 2.499 291 F HA 0.607 5.134 4.527 0.000 0.000 0.333 291 F C -0.515 175.315 175.800 0.050 0.000 1.138 291 F CA -0.665 57.326 58.000 -0.015 0.000 0.945 291 F CB 2.267 41.173 39.000 -0.156 0.000 1.181 291 F HN 0.723 nan 8.300 nan 0.000 0.435 292 Q N 4.504 123.926 119.800 -0.629 0.000 2.314 292 Q HA 0.346 4.686 4.340 0.000 0.000 0.259 292 Q C -0.346 175.263 176.000 -0.651 0.000 0.951 292 Q CA -0.522 55.029 55.803 -0.420 0.000 0.909 292 Q CB 1.236 29.814 28.738 -0.267 0.000 1.236 292 Q HN 0.721 nan 8.270 nan 0.000 0.444 293 T N 2.647 117.027 114.554 -0.290 0.000 2.899 293 T HA 0.550 4.900 4.350 0.000 0.000 0.295 293 T C -2.169 172.429 174.700 -0.169 0.000 1.033 293 T CA -1.595 60.381 62.100 -0.206 0.000 1.084 293 T CB 0.634 69.497 68.868 -0.009 0.000 0.979 293 T HN 0.462 nan 8.240 nan 0.000 0.532 294 P HA 0.145 nan 4.420 nan 0.000 0.269 294 P C -0.142 177.129 177.300 -0.048 0.000 1.217 294 P CA -0.288 62.784 63.100 -0.048 0.000 0.783 294 P CB 0.291 32.001 31.700 0.017 0.000 0.898 295 E N 0.194 120.379 120.200 -0.026 0.000 2.366 295 E HA 0.418 4.768 4.350 0.000 0.000 0.266 295 E C -0.291 176.315 176.600 0.009 0.000 1.051 295 E CA -0.558 55.829 56.400 -0.022 0.000 0.884 295 E CB 0.568 30.266 29.700 -0.004 0.000 1.006 295 E HN 0.388 nan 8.360 nan 0.000 0.417 296 A N 3.674 126.493 122.820 -0.001 0.000 2.292 296 A HA 0.411 4.731 4.320 0.000 0.000 0.319 296 A C -0.384 177.218 177.584 0.029 0.000 1.206 296 A CA -0.736 51.325 52.037 0.040 0.000 0.835 296 A CB 0.510 19.538 19.000 0.048 0.000 1.164 296 A HN 0.450 nan 8.150 nan 0.000 0.505 297 I N 3.445 124.054 120.570 0.065 0.000 2.304 297 I HA 0.295 4.465 4.170 0.000 0.000 0.291 297 I C -0.733 175.384 176.117 -0.000 0.000 1.018 297 I CA -0.279 61.021 61.300 0.000 0.000 1.260 297 I CB 0.456 38.492 38.000 0.060 0.000 1.390 297 I HN 0.365 nan 8.210 nan 0.000 0.475 298 L N 5.166 126.350 121.223 -0.064 0.000 2.334 298 L HA 0.672 5.012 4.340 0.000 0.000 0.273 298 L C 0.215 177.071 176.870 -0.023 0.000 1.013 298 L CA -0.091 54.713 54.840 -0.060 0.000 0.816 298 L CB 1.807 43.876 42.059 0.016 0.000 1.278 298 L HN 0.683 nan 8.230 nan 0.000 0.431 299 S N 1.268 116.975 115.700 0.012 0.000 2.552 299 S HA 0.688 5.159 4.470 0.000 0.000 0.272 299 S C -2.085 172.544 174.600 0.049 0.000 1.150 299 S CA -0.473 57.761 58.200 0.057 0.000 0.849 299 S CB 0.884 64.046 63.200 -0.064 0.000 1.113 299 S HN 0.467 nan 8.310 nan 0.000 0.458 300 Y N 1.291 121.506 120.300 -0.141 0.000 2.534 300 Y HA 0.713 5.263 4.550 0.000 0.000 0.345 300 Y C -0.697 175.042 175.900 -0.268 0.000 1.031 300 Y CA -0.187 57.673 58.100 -0.400 0.000 1.022 300 Y CB 2.271 40.291 38.460 -0.733 0.000 1.292 300 Y HN 0.744 nan 8.280 nan 0.000 0.459 301 T N 2.347 116.155 114.554 -1.243 0.000 2.932 301 T HA 0.298 4.648 4.350 0.000 0.000 0.318 301 T C -0.258 173.831 174.700 -1.017 0.000 1.265 301 T CA -0.346 61.255 62.100 -0.831 0.000 1.036 301 T CB 1.539 70.183 68.868 -0.373 0.000 1.209 301 T HN 0.639 nan 8.240 nan 0.000 0.484 302 S N 1.880 117.312 115.700 -0.446 0.000 2.562 302 S HA 0.225 4.695 4.470 0.000 0.000 0.221 302 S C 1.534 176.036 174.600 -0.163 0.000 0.975 302 S CA 0.541 58.611 58.200 -0.216 0.000 0.918 302 S CB 0.042 63.244 63.200 0.004 0.000 0.772 302 S HN 0.764 nan 8.310 nan 0.000 0.531 303 A N 0.920 123.629 122.820 -0.184 0.000 2.423 303 A HA 0.635 4.955 4.320 0.000 0.000 0.246 303 A C 0.977 178.511 177.584 -0.083 0.000 1.278 303 A CA 0.248 52.219 52.037 -0.110 0.000 0.903 303 A CB -0.528 18.404 19.000 -0.113 0.000 0.997 303 A HN 0.635 nan 8.150 nan 0.000 0.510 307 Q N 1.719 121.455 119.800 -0.106 0.000 2.135 307 Q HA 0.065 4.405 4.340 0.000 0.000 0.204 307 Q C 1.941 177.877 176.000 -0.106 0.000 0.981 307 Q CA 1.516 57.248 55.803 -0.118 0.000 0.856 307 Q CB -0.349 28.327 28.738 -0.104 0.000 0.902 307 Q HN 0.393 nan 8.270 nan 0.000 0.425 308 L N -0.298 120.876 121.223 -0.081 0.000 1.970 308 L HA -0.169 4.171 4.340 0.000 0.000 0.212 308 L C 2.225 179.059 176.870 -0.059 0.000 1.071 308 L CA 2.259 57.062 54.840 -0.061 0.000 0.751 308 L CB -0.975 41.085 42.059 0.002 0.000 0.889 308 L HN 0.179 nan 8.230 nan 0.000 0.432 309 S N -0.830 114.844 115.700 -0.043 0.000 2.353 309 S HA -0.288 4.183 4.470 0.000 0.000 0.222 309 S C 1.842 176.357 174.600 -0.142 0.000 1.035 309 S CA 1.723 59.860 58.200 -0.105 0.000 1.025 309 S CB -0.376 62.764 63.200 -0.100 0.000 0.902 309 S HN 0.540 nan 8.310 nan 0.000 0.440 310 Q N 1.139 120.860 119.800 -0.131 0.000 2.045 310 Q HA -0.179 4.161 4.340 0.000 0.000 0.206 310 Q C 1.464 177.400 176.000 -0.107 0.000 0.991 310 Q CA 1.300 57.028 55.803 -0.125 0.000 0.851 310 Q CB -0.318 28.315 28.738 -0.175 0.000 0.911 310 Q HN 0.735 nan 8.270 nan 0.000 0.418 314 S N -0.782 114.863 115.700 -0.091 0.000 2.368 314 S HA -0.091 4.379 4.470 0.000 0.000 0.225 314 S C 1.705 176.284 174.600 -0.035 0.000 1.030 314 S CA 1.998 60.181 58.200 -0.027 0.000 0.999 314 S CB -0.492 62.718 63.200 0.017 0.000 0.844 314 S HN 0.778 nan 8.310 nan 0.000 0.459 315 F N 0.920 120.735 119.950 -0.224 0.000 2.186 315 F HA -0.065 4.462 4.527 0.000 0.000 0.299 315 F C 1.639 177.340 175.800 -0.165 0.000 1.090 315 F CA 1.294 59.176 58.000 -0.197 0.000 1.307 315 F CB -0.383 38.411 39.000 -0.344 0.000 1.019 315 F HN 0.245 nan 8.300 nan 0.000 0.489 316 Y N 0.527 120.747 120.300 -0.134 0.000 2.263 316 Y HA -0.138 4.412 4.550 0.000 0.000 0.292 316 Y C 2.692 178.411 175.900 -0.303 0.000 1.130 316 Y CA 1.255 59.208 58.100 -0.244 0.000 1.179 316 Y CB -1.442 36.976 38.460 -0.070 0.000 0.998 316 Y HN 0.256 nan 8.280 nan 0.000 0.532 317 Q N 0.050 119.792 119.800 -0.097 0.000 2.297 317 Q HA -0.171 4.169 4.340 0.000 0.000 0.204 317 Q C 1.406 177.246 176.000 -0.267 0.000 0.962 317 Q CA 1.273 56.963 55.803 -0.188 0.000 0.879 317 Q CB 0.148 28.779 28.738 -0.180 0.000 0.947 317 Q HN 0.600 nan 8.270 nan 0.000 0.462 318 Q N -1.733 117.852 119.800 -0.359 0.000 2.423 318 Q HA 0.043 4.383 4.340 0.000 0.000 0.231 318 Q C 0.547 176.015 176.000 -0.887 0.000 0.894 318 Q CA 0.365 55.849 55.803 -0.530 0.000 0.938 318 Q CB 0.808 29.130 28.738 -0.693 0.000 1.079 318 Q HN 0.461 nan 8.270 nan 0.000 0.552 319 H N -1.385 117.226 119.070 -0.766 0.000 2.916 319 H HA 0.237 4.793 4.556 0.000 0.000 0.262 319 H C 0.716 175.131 175.328 -1.521 0.000 1.178 319 H CA 0.136 55.391 56.048 -1.321 0.000 1.090 319 H CB 1.335 30.252 29.762 -1.407 0.000 1.657 319 H HN 0.110 nan 8.280 nan 0.000 0.601 320 L N -0.345 120.420 121.223 -0.764 0.000 2.603 320 L HA 0.261 4.601 4.340 0.000 0.000 0.189 320 L C 0.049 176.892 176.870 -0.044 0.000 1.082 320 L CA 0.162 54.810 54.840 -0.320 0.000 0.921 320 L CB 0.489 42.453 42.059 -0.158 0.000 1.694 320 L HN -0.193 nan 8.230 nan 0.000 0.491 321 V N 2.733 122.594 119.914 -0.087 0.000 2.788 321 V HA -0.031 4.089 4.120 0.000 0.000 0.307 321 V C 0.407 176.476 176.094 -0.042 0.000 1.069 321 V CA -0.045 62.215 62.300 -0.067 0.000 1.173 321 V CB -0.026 31.767 31.823 -0.050 0.000 0.925 321 V HN 0.506 nan 8.190 nan 0.000 0.492 322 N N 6.499 125.121 118.700 -0.130 0.000 2.256 322 N HA -0.052 4.688 4.740 0.000 0.000 0.277 322 N C -1.642 173.860 175.510 -0.013 0.000 1.362 322 N CA -0.903 52.066 53.050 -0.134 0.000 0.861 322 N CB 0.948 39.423 38.487 -0.020 0.000 1.136 322 N HN 0.329 nan 8.380 nan 0.000 0.492 323 P HA -0.057 nan 4.420 nan 0.000 0.223 323 P C 1.126 178.397 177.300 -0.048 0.000 1.151 323 P CA 0.704 63.802 63.100 -0.004 0.000 0.787 323 P CB 0.250 31.915 31.700 -0.059 0.000 0.788 324 R N -0.639 119.784 120.500 -0.129 0.000 2.120 324 R HA -0.035 4.305 4.340 0.000 0.000 0.234 324 R C 1.158 177.180 176.300 -0.464 0.000 1.123 324 R CA 1.740 57.646 56.100 -0.323 0.000 0.975 324 R CB -1.118 28.933 30.300 -0.417 0.000 0.866 324 R HN 0.181 nan 8.270 nan 0.000 0.446 325 F N -1.596 118.380 119.950 0.043 0.000 2.746 325 F HA 0.429 4.956 4.527 0.000 0.000 0.320 325 F C 1.728 177.571 175.800 0.071 0.000 1.097 325 F CA 0.106 58.150 58.000 0.074 0.000 1.195 325 F CB 0.338 39.391 39.000 0.089 0.000 1.056 325 F HN 0.071 nan 8.300 nan 0.000 0.562 326 A N -0.240 122.669 122.820 0.148 0.000 1.940 326 A HA -0.209 4.111 4.320 0.000 0.000 0.219 326 A C 1.138 178.596 177.584 -0.209 0.000 1.176 326 A CA 1.932 53.959 52.037 -0.016 0.000 0.631 326 A CB -0.728 18.201 19.000 -0.119 0.000 0.814 326 A HN 0.517 nan 8.150 nan 0.000 0.446 327 H N -1.708 117.295 119.070 -0.111 0.000 2.674 327 H HA 0.323 4.879 4.556 0.000 0.000 0.274 327 H C -0.193 174.927 175.328 -0.347 0.000 1.121 327 H CA -0.258 55.529 56.048 -0.435 0.000 1.132 327 H CB 0.524 30.095 29.762 -0.319 0.000 1.606 327 H HN 0.414 nan 8.280 nan 0.000 0.558 328 E N 1.993 122.251 120.200 0.096 0.000 2.113 328 E HA 0.104 4.454 4.350 0.000 0.000 0.273 328 E C -0.520 176.316 176.600 0.393 0.000 0.924 328 E CA -0.439 56.080 56.400 0.198 0.000 0.764 328 E CB 0.933 30.757 29.700 0.207 0.000 1.104 328 E HN 0.452 nan 8.360 nan 0.000 0.406 329 E N 2.736 123.157 120.200 0.369 0.000 2.534 329 E HA -0.088 4.262 4.350 0.000 0.000 0.264 329 E C -0.210 176.560 176.600 0.283 0.000 0.981 329 E CA 0.505 57.129 56.400 0.374 0.000 0.948 329 E CB 0.580 30.423 29.700 0.238 0.000 0.934 329 E HN 0.160 nan 8.360 nan 0.000 0.459 330 R N 3.108 123.745 120.500 0.229 0.000 2.407 330 R HA 0.354 4.694 4.340 0.000 0.000 0.303 330 R C -2.410 173.990 176.300 0.167 0.000 0.981 330 R CA -2.583 53.630 56.100 0.189 0.000 0.905 330 R CB 0.296 30.688 30.300 0.152 0.000 1.099 330 R HN 0.328 nan 8.270 nan 0.000 0.459 331 P HA 0.019 nan 4.420 nan 0.000 0.269 331 P C -0.282 177.064 177.300 0.077 0.000 1.209 331 P CA -0.252 62.900 63.100 0.087 0.000 0.776 331 P CB 0.463 32.178 31.700 0.026 0.000 0.876 332 V N 4.069 124.036 119.914 0.088 0.000 2.356 332 V HA 0.079 4.199 4.120 0.000 0.000 0.258 332 V C 0.640 176.728 176.094 -0.011 0.000 1.065 332 V CA -0.069 62.270 62.300 0.064 0.000 0.935 332 V CB -0.841 31.057 31.823 0.126 0.000 1.061 332 V HN 0.344 nan 8.190 nan 0.000 0.484 333 L N 4.284 125.446 121.223 -0.102 0.000 2.440 333 L HA 0.806 5.146 4.340 0.000 0.000 0.262 333 L C -0.327 176.399 176.870 -0.240 0.000 1.072 333 L CA -0.495 54.215 54.840 -0.215 0.000 0.798 333 L CB 1.131 42.966 42.059 -0.372 0.000 1.307 333 L HN 0.453 nan 8.230 nan 0.000 0.475 334 I N 1.261 121.632 120.570 -0.333 0.000 2.500 334 I HA 0.431 4.601 4.170 0.000 0.000 0.286 334 I C -1.431 174.314 176.117 -0.620 0.000 1.063 334 I CA -0.265 60.812 61.300 -0.371 0.000 1.062 334 I CB 1.213 39.084 38.000 -0.215 0.000 1.223 334 I HN 0.820 nan 8.210 nan 0.000 0.435 335 N N 6.097 124.465 118.700 -0.552 0.000 2.443 335 N HA 0.252 4.992 4.740 0.000 0.000 0.295 335 N C 0.064 175.325 175.510 -0.415 0.000 1.076 335 N CA -0.352 52.390 53.050 -0.514 0.000 0.919 335 N CB 1.367 39.641 38.487 -0.355 0.000 1.176 335 N HN 0.804 nan 8.380 nan 0.000 0.487 336 N N 3.722 122.177 118.700 -0.408 0.000 2.336 336 N HA -0.070 4.670 4.740 0.000 0.000 0.189 336 N C 1.504 176.874 175.510 -0.233 0.000 1.113 336 N CA -0.389 52.486 53.050 -0.291 0.000 0.858 336 N CB -0.178 38.162 38.487 -0.244 0.000 0.970 336 N HN 0.656 nan 8.380 nan 0.000 0.471 337 W N 2.382 123.453 121.300 -0.382 0.000 2.292 337 W HA -0.201 4.459 4.660 0.000 0.000 0.330 337 W C 0.942 177.067 176.519 -0.657 0.000 1.264 337 W CA 1.550 58.642 57.345 -0.422 0.000 1.235 337 W CB -0.058 29.214 29.460 -0.314 0.000 1.164 337 W HN 0.167 nan 8.180 nan 0.000 0.461 338 E N 0.148 119.907 120.200 -0.736 0.000 2.347 338 E HA -0.105 4.245 4.350 0.000 0.000 0.196 338 E C 2.232 178.364 176.600 -0.780 0.000 1.008 338 E CA 0.644 56.429 56.400 -1.025 0.000 0.852 338 E CB -0.236 29.257 29.700 -0.346 0.000 0.783 338 E HN 0.314 nan 8.360 nan 0.000 0.505 339 A N 1.168 123.692 122.820 -0.494 0.000 1.873 339 A HA -0.164 4.156 4.320 0.000 0.000 0.215 339 A C 2.359 179.778 177.584 -0.274 0.000 1.186 339 A CA 2.204 54.067 52.037 -0.290 0.000 0.616 339 A CB -0.419 18.467 19.000 -0.190 0.000 0.823 339 A HN 0.359 nan 8.150 nan 0.000 0.442 340 T N -7.065 107.285 114.554 -0.341 0.000 2.989 340 T HA 0.370 4.720 4.350 0.000 0.000 0.250 340 T C 0.751 175.384 174.700 -0.113 0.000 0.981 340 T CA 0.468 62.493 62.100 -0.124 0.000 0.980 340 T CB -0.149 68.740 68.868 0.035 0.000 1.133 340 T HN 0.407 nan 8.240 nan 0.000 0.489 341 Y N 0.684 120.763 120.300 -0.369 0.000 2.903 341 Y HA -0.311 4.239 4.550 0.000 0.000 0.466 341 Y C 1.004 176.796 175.900 -0.180 0.000 1.201 341 Y CA 0.729 58.415 58.100 -0.690 0.000 2.493 341 Y CB -1.494 36.588 38.460 -0.630 0.000 1.237 341 Y HN 0.177 nan 8.280 nan 0.000 0.633 342 F N -0.060 120.041 119.950 0.253 0.000 2.802 342 F HA 0.065 4.592 4.527 0.000 0.000 0.300 342 F C 1.043 176.858 175.800 0.024 0.000 1.168 342 F CA 1.043 59.151 58.000 0.180 0.000 1.433 342 F CB -0.052 38.985 39.000 0.062 0.000 1.115 342 F HN 0.167 nan 8.300 nan 0.000 0.582 343 D N 1.194 121.741 120.400 0.246 0.000 2.494 343 D HA 0.246 4.886 4.640 0.000 0.000 0.217 343 D C -0.613 175.803 176.300 0.193 0.000 1.153 343 D CA 0.124 54.196 54.000 0.120 0.000 0.954 343 D CB -0.241 40.624 40.800 0.107 0.000 1.034 343 D HN 0.091 nan 8.370 nan 0.000 0.518 344 F N 0.234 120.184 119.950 0.000 0.000 2.858 344 F HA 0.529 5.056 4.527 0.000 0.000 0.319 344 F C -1.652 174.075 175.800 -0.122 0.000 1.166 344 F CA -1.264 56.708 58.000 -0.047 0.000 0.899 344 F CB 0.610 39.595 39.000 -0.024 0.000 1.332 344 F HN 0.077 nan 8.300 nan 0.000 0.461 345 N N -1.205 117.523 118.700 0.047 0.000 3.039 345 N HA 0.238 4.978 4.740 0.000 0.000 0.257 345 N C 0.020 175.373 175.510 -0.263 0.000 1.497 345 N CA -0.362 52.550 53.050 -0.231 0.000 0.861 345 N CB 1.043 39.375 38.487 -0.258 0.000 1.479 345 N HN 0.896 nan 8.380 nan 0.000 0.547 346 E N -0.221 119.602 120.200 -0.628 0.000 2.114 346 E HA -0.275 4.075 4.350 0.000 0.000 0.199 346 E C 1.501 178.010 176.600 -0.152 0.000 1.008 346 E CA 2.108 58.218 56.400 -0.484 0.000 0.810 346 E CB -0.382 29.154 29.700 -0.273 0.000 0.739 346 E HN 0.617 nan 8.360 nan 0.000 0.456 347 A N 0.868 123.634 122.820 -0.090 0.000 1.898 347 A HA -0.191 4.129 4.320 0.000 0.000 0.216 347 A C 2.116 179.699 177.584 -0.002 0.000 1.181 347 A CA 1.881 53.908 52.037 -0.017 0.000 0.620 347 A CB -0.506 18.484 19.000 -0.016 0.000 0.819 347 A HN 0.210 nan 8.150 nan 0.000 0.442 348 K N 0.015 120.412 120.400 -0.005 0.000 2.026 348 K HA 0.032 4.352 4.320 0.000 0.000 0.208 348 K C 0.903 177.525 176.600 0.037 0.000 1.048 348 K CA 0.760 57.064 56.287 0.028 0.000 0.929 348 K CB -0.641 31.893 32.500 0.058 0.000 0.713 348 K HN 0.450 nan 8.250 nan 0.000 0.439 352 I N 2.026 122.647 120.570 0.085 0.000 2.252 352 I HA -0.068 4.102 4.170 0.000 0.000 0.245 352 I C 2.572 178.779 176.117 0.149 0.000 1.102 352 I CA 1.264 62.642 61.300 0.131 0.000 1.385 352 I CB -0.389 37.750 38.000 0.231 0.000 1.064 352 I HN 0.141 nan 8.210 nan 0.000 0.414 353 V N 1.388 121.373 119.914 0.119 0.000 2.287 353 V HA -0.328 3.792 4.120 0.000 0.000 0.248 353 V C 2.038 178.143 176.094 0.019 0.000 1.053 353 V CA 2.441 64.770 62.300 0.048 0.000 1.027 353 V CB -1.006 30.726 31.823 -0.152 0.000 0.646 353 V HN 0.481 nan 8.190 nan 0.000 0.447 354 N N -0.298 118.405 118.700 0.005 0.000 2.069 354 N HA -0.293 4.447 4.740 0.000 0.000 0.191 354 N C 1.951 177.462 175.510 0.002 0.000 1.031 354 N CA 1.493 54.541 53.050 -0.003 0.000 0.852 354 N CB -0.168 38.319 38.487 -0.000 0.000 1.018 354 N HN 0.441 nan 8.380 nan 0.000 0.423 355 Q N 1.094 120.901 119.800 0.011 0.000 2.119 355 Q HA -0.014 4.326 4.340 0.000 0.000 0.201 355 Q C 1.895 177.886 176.000 -0.014 0.000 0.972 355 Q CA 1.615 57.417 55.803 -0.002 0.000 0.847 355 Q CB -0.289 28.449 28.738 0.000 0.000 0.903 355 Q HN 0.367 nan 8.270 nan 0.000 0.433 356 A N 0.692 123.515 122.820 0.004 0.000 1.883 356 A HA -0.262 4.058 4.320 0.000 0.000 0.217 356 A C 2.020 179.591 177.584 -0.022 0.000 1.186 356 A CA 2.102 54.130 52.037 -0.016 0.000 0.624 356 A CB -0.796 18.227 19.000 0.039 0.000 0.822 356 A HN 0.424 nan 8.150 nan 0.000 0.444 357 K N 0.111 120.507 120.400 -0.006 0.000 2.032 357 K HA -0.229 4.091 4.320 0.000 0.000 0.218 357 K C 2.025 178.616 176.600 -0.015 0.000 1.054 357 K CA 2.348 58.629 56.287 -0.011 0.000 0.941 357 K CB -0.397 32.096 32.500 -0.013 0.000 0.720 357 K HN 0.466 nan 8.250 nan 0.000 0.449 358 R N 0.004 120.494 120.500 -0.017 0.000 2.148 358 R HA 0.006 4.346 4.340 0.000 0.000 0.227 358 R C 2.243 178.528 176.300 -0.024 0.000 1.103 358 R CA 1.347 57.437 56.100 -0.016 0.000 0.983 358 R CB -0.303 29.989 30.300 -0.014 0.000 0.874 358 R HN 0.265 nan 8.270 nan 0.000 0.451 359 L N -0.625 120.572 121.223 -0.043 0.000 2.478 359 L HA 0.073 4.413 4.340 0.000 0.000 0.223 359 L C 1.285 178.125 176.870 -0.050 0.000 1.140 359 L CA 0.763 55.563 54.840 -0.067 0.000 0.842 359 L CB -0.074 41.904 42.059 -0.134 0.000 0.953 359 L HN 0.518 nan 8.230 nan 0.000 0.452 360 G N 0.272 109.054 108.800 -0.029 0.000 2.176 360 G HA2 -0.242 3.718 3.960 0.000 0.000 0.232 360 G HA3 -0.242 3.718 3.960 0.000 0.000 0.232 360 G C 0.291 175.189 174.900 -0.003 0.000 0.986 360 G CA -0.389 44.707 45.100 -0.005 0.000 0.643 360 G HN 0.226 nan 8.290 nan 0.000 0.522 361 I N 1.148 121.701 120.570 -0.029 0.000 2.754 361 I HA 0.302 4.472 4.170 0.000 0.000 0.285 361 I C 0.972 177.089 176.117 0.000 0.000 1.166 361 I CA 0.255 61.542 61.300 -0.022 0.000 1.417 361 I CB 0.651 38.615 38.000 -0.061 0.000 1.382 361 I HN 0.219 nan 8.210 nan 0.000 0.588 365 V N 6.653 126.176 119.914 -0.653 0.000 2.334 365 V HA 0.364 4.484 4.120 0.000 0.000 0.281 365 V C -0.555 175.322 176.094 -0.362 0.000 1.016 365 V CA -0.720 61.286 62.300 -0.490 0.000 0.832 365 V CB 1.236 32.778 31.823 -0.469 0.000 0.999 365 V HN 0.625 nan 8.190 nan 0.000 0.439 366 L N 5.130 126.342 121.223 -0.018 0.000 2.433 366 L HA 0.380 4.720 4.340 0.000 0.000 0.275 366 L C -0.046 176.884 176.870 0.099 0.000 1.128 366 L CA 0.731 55.692 54.840 0.202 0.000 0.875 366 L CB 0.332 42.568 42.059 0.294 0.000 1.171 366 L HN 0.764 nan 8.230 nan 0.000 0.463 367 D N 2.274 122.711 120.400 0.061 0.000 2.560 367 D HA 0.162 4.802 4.640 0.000 0.000 0.277 367 D C -0.654 175.653 176.300 0.012 0.000 1.194 367 D CA -0.510 53.478 54.000 -0.019 0.000 1.092 367 D CB 0.740 41.443 40.800 -0.162 0.000 1.169 367 D HN 0.636 nan 8.370 nan 0.000 0.607 368 D N -1.614 118.385 120.400 -0.669 0.000 2.548 368 D HA 0.237 4.877 4.640 0.000 0.000 0.231 368 D C 0.696 177.048 176.300 0.086 0.000 1.142 368 D CA 1.825 55.411 54.000 -0.690 0.000 0.866 368 D CB 0.692 40.730 40.800 -1.270 0.000 1.190 368 D HN 0.622 nan 8.370 nan 0.000 0.469 369 G N 2.888 111.773 108.800 0.142 0.000 2.175 369 G HA2 -0.193 3.767 3.960 0.000 0.000 0.182 369 G HA3 -0.193 3.767 3.960 0.000 0.000 0.182 369 G C 0.871 175.849 174.900 0.130 0.000 1.003 369 G CA 0.298 45.504 45.100 0.177 0.000 0.666 369 G HN 0.586 nan 8.290 nan 0.000 0.506 370 W N 0.621 122.072 121.300 0.251 0.000 3.114 370 W HA 0.538 5.198 4.660 0.000 0.000 0.279 370 W C 0.475 177.150 176.519 0.260 0.000 1.277 370 W CA 0.190 57.782 57.345 0.413 0.000 1.630 370 W CB -0.479 29.257 29.460 0.460 0.000 1.087 370 W HN 0.309 nan 8.180 nan 0.000 0.637 371 F N 0.554 120.163 119.950 -0.568 0.000 2.509 371 F HA 0.822 5.349 4.527 0.000 0.000 0.334 371 F C 1.197 176.727 175.800 -0.449 0.000 1.060 371 F CA -0.691 56.879 58.000 -0.717 0.000 0.997 371 F CB 0.220 38.374 39.000 -1.411 0.000 1.271 371 F HN 0.089 nan 8.300 nan 0.000 0.488 372 G N 1.221 109.815 108.800 -0.344 0.000 2.665 372 G HA2 -0.340 3.620 3.960 0.000 0.000 0.326 372 G HA3 -0.340 3.620 3.960 0.000 0.000 0.326 372 G C 0.186 175.076 174.900 -0.017 0.000 1.231 372 G CA 0.765 45.720 45.100 -0.242 0.000 0.992 372 G HN 1.676 nan 8.290 nan 0.000 0.549 373 H N 0.425 119.359 119.070 -0.227 0.000 2.674 373 H HA 0.500 5.056 4.556 0.000 0.000 0.235 373 H C 0.541 175.696 175.328 -0.288 0.000 1.330 373 H CA -0.002 55.927 56.048 -0.197 0.000 1.052 373 H CB -0.422 29.270 29.762 -0.117 0.000 1.954 373 H HN 0.635 nan 8.280 nan 0.000 0.566 374 R N 1.515 121.680 120.500 -0.557 0.000 2.429 374 R HA 0.084 4.424 4.340 0.000 0.000 0.302 374 R C -0.822 175.231 176.300 -0.413 0.000 1.268 374 R CA -0.092 55.636 56.100 -0.621 0.000 1.090 374 R CB 0.108 29.850 30.300 -0.931 0.000 1.102 374 R HN 0.113 nan 8.270 nan 0.000 0.522 375 D N 1.892 122.043 120.400 -0.414 0.000 2.395 375 D HA 0.158 4.798 4.640 0.000 0.000 0.213 375 D C -0.699 175.229 176.300 -0.620 0.000 1.110 375 D CA 0.306 54.109 54.000 -0.328 0.000 0.835 375 D CB 0.514 41.184 40.800 -0.217 0.000 0.965 375 D HN 0.458 nan 8.370 nan 0.000 0.505 376 D N -0.229 119.501 120.400 -1.116 0.000 2.639 376 D HA 0.051 4.691 4.640 0.000 0.000 0.271 376 D C -0.917 174.639 176.300 -1.241 0.000 1.254 376 D CA -0.425 52.927 54.000 -1.081 0.000 0.810 376 D CB 1.675 42.150 40.800 -0.540 0.000 1.351 376 D HN -0.197 nan 8.370 nan 0.000 0.427 377 D N -0.736 119.293 120.400 -0.620 0.000 2.706 377 D HA 0.038 4.678 4.640 0.000 0.000 0.236 377 D C 0.951 177.234 176.300 -0.028 0.000 1.231 377 D CA -0.073 53.862 54.000 -0.107 0.000 0.828 377 D CB -0.384 40.566 40.800 0.251 0.000 1.015 377 D HN 0.291 nan 8.370 nan 0.000 0.484 378 T N -3.821 110.610 114.554 -0.204 0.000 2.975 378 T HA 0.170 4.520 4.350 0.000 0.000 0.257 378 T C 0.759 175.375 174.700 -0.139 0.000 1.003 378 T CA 0.523 62.518 62.100 -0.177 0.000 0.932 378 T CB 0.251 68.932 68.868 -0.310 0.000 1.087 378 T HN 0.238 nan 8.240 nan 0.000 0.512 379 T N -2.208 112.215 114.554 -0.219 0.000 2.841 379 T HA 0.610 4.960 4.350 0.000 0.000 0.296 379 T C 0.199 174.707 174.700 -0.321 0.000 1.166 379 T CA 0.189 62.120 62.100 -0.283 0.000 1.007 379 T CB 1.378 69.951 68.868 -0.492 0.000 1.253 379 T HN 0.207 nan 8.240 nan 0.000 0.511 380 S N -0.908 114.597 115.700 -0.326 0.000 2.857 380 S HA -0.135 4.335 4.470 0.000 0.000 0.268 380 S C 0.306 174.807 174.600 -0.166 0.000 1.297 380 S CA 0.697 58.722 58.200 -0.292 0.000 1.280 380 S CB -2.095 60.791 63.200 -0.523 0.000 1.562 380 S HN 0.859 nan 8.310 nan 0.000 0.661 381 L N 1.589 122.755 121.223 -0.095 0.000 2.462 381 L HA 0.429 4.769 4.340 0.000 0.000 0.272 381 L C 1.559 178.287 176.870 -0.237 0.000 1.166 381 L CA 1.052 55.761 54.840 -0.218 0.000 0.880 381 L CB 0.220 42.324 42.059 0.075 0.000 1.142 381 L HN 0.565 nan 8.230 nan 0.000 0.473 382 G N 2.069 110.541 108.800 -0.547 0.000 2.231 382 G HA2 -0.199 3.761 3.960 0.000 0.000 0.206 382 G HA3 -0.199 3.761 3.960 0.000 0.000 0.206 382 G C 0.023 174.771 174.900 -0.252 0.000 0.996 382 G CA -0.399 44.622 45.100 -0.132 0.000 0.645 382 G HN 0.606 nan 8.290 nan 0.000 0.498 383 D N 0.604 120.583 120.400 -0.701 0.000 2.736 383 D HA 0.378 5.018 4.640 0.000 0.000 0.293 383 D C -0.187 175.522 176.300 -0.985 0.000 1.241 383 D CA -0.567 53.075 54.000 -0.596 0.000 0.965 383 D CB -0.432 40.052 40.800 -0.528 0.000 0.992 383 D HN 0.487 nan 8.370 nan 0.000 0.510 384 W N 2.520 123.695 121.300 -0.208 0.000 1.438 384 W HA 0.246 4.906 4.660 0.000 0.000 0.455 384 W C -0.204 176.416 176.519 0.169 0.000 0.656 384 W CA -0.966 56.284 57.345 -0.158 0.000 2.049 384 W CB -0.673 28.851 29.460 0.107 0.000 1.683 384 W HN 0.034 nan 8.180 nan 0.000 0.228 385 F N -1.852 118.301 119.950 0.339 0.000 2.608 385 F HA 0.628 5.155 4.527 0.000 0.000 0.309 385 F C -0.243 175.806 175.800 0.414 0.000 1.103 385 F CA -2.673 55.571 58.000 0.406 0.000 0.954 385 F CB 0.027 39.184 39.000 0.262 0.000 1.267 385 F HN -0.254 nan 8.300 nan 0.000 0.444 386 V N 1.572 121.919 119.914 0.722 0.000 2.780 386 V HA -0.108 4.012 4.120 0.000 0.000 0.301 386 V C 0.236 176.613 176.094 0.472 0.000 1.168 386 V CA 0.425 63.087 62.300 0.603 0.000 1.305 386 V CB -0.260 31.827 31.823 0.440 0.000 0.858 386 V HN 0.851 nan 8.190 nan 0.000 0.502 387 D N 4.338 124.969 120.400 0.385 0.000 2.336 387 D HA 0.142 4.782 4.640 0.000 0.000 0.249 387 D C 0.996 177.477 176.300 0.301 0.000 1.213 387 D CA -0.103 54.057 54.000 0.267 0.000 0.870 387 D CB 1.249 42.126 40.800 0.129 0.000 1.076 387 D HN 0.669 nan 8.370 nan 0.000 0.483 388 Q N 3.081 123.019 119.800 0.230 0.000 2.389 388 Q HA 0.043 4.383 4.340 0.000 0.000 0.204 388 Q C 1.633 177.697 176.000 0.107 0.000 0.944 388 Q CA 0.194 56.114 55.803 0.195 0.000 0.908 388 Q CB 0.432 29.262 28.738 0.154 0.000 1.002 388 Q HN 0.455 nan 8.270 nan 0.000 0.493 389 R N 1.113 121.650 120.500 0.063 0.000 2.127 389 R HA -0.094 4.246 4.340 0.000 0.000 0.238 389 R C 1.805 178.063 176.300 -0.070 0.000 1.134 389 R CA 1.133 57.228 56.100 -0.009 0.000 0.975 389 R CB 0.047 30.328 30.300 -0.031 0.000 0.865 389 R HN 0.181 nan 8.270 nan 0.000 0.447 390 K N -0.860 119.497 120.400 -0.072 0.000 2.308 390 K HA 0.083 4.403 4.320 0.000 0.000 0.197 390 K C -0.068 176.191 176.600 -0.568 0.000 1.049 390 K CA 0.565 56.661 56.287 -0.318 0.000 0.991 390 K CB 0.611 32.918 32.500 -0.323 0.000 0.836 390 K HN 0.032 nan 8.250 nan 0.000 0.500 391 F N 1.010 120.999 119.950 0.065 0.000 2.691 391 F HA 0.274 4.801 4.527 0.000 0.000 0.371 391 F C -2.076 173.761 175.800 0.063 0.000 1.159 391 F CA -2.216 55.830 58.000 0.077 0.000 1.174 391 F CB 1.719 40.797 39.000 0.131 0.000 1.419 391 F HN -0.180 nan 8.300 nan 0.000 0.514 392 P HA -0.159 nan 4.420 nan 0.000 0.216 392 P C 0.443 177.783 177.300 0.067 0.000 1.150 392 P CA 1.561 64.697 63.100 0.061 0.000 0.843 392 P CB 0.301 31.995 31.700 -0.010 0.000 0.787 393 D N -1.309 119.129 120.400 0.063 0.000 2.501 393 D HA 0.286 4.926 4.640 0.000 0.000 0.226 393 D C 1.049 177.441 176.300 0.154 0.000 1.198 393 D CA 0.318 54.340 54.000 0.036 0.000 0.830 393 D CB 0.282 40.972 40.800 -0.184 0.000 1.014 393 D HN 0.071 nan 8.370 nan 0.000 0.496 394 G N 1.373 110.303 108.800 0.217 0.000 2.828 394 G HA2 -0.262 3.698 3.960 0.000 0.000 0.463 394 G HA3 -0.262 3.698 3.960 0.000 0.000 0.463 394 G C 0.748 175.735 174.900 0.144 0.000 1.394 394 G CA -0.690 44.532 45.100 0.203 0.000 0.862 394 G HN 0.089 nan 8.290 nan 0.000 0.540 395 I N 1.384 121.954 120.570 0.001 0.000 2.394 395 I HA -0.073 4.097 4.170 0.000 0.000 0.251 395 I C 2.740 178.808 176.117 -0.082 0.000 1.136 395 I CA 2.197 63.401 61.300 -0.160 0.000 1.425 395 I CB -1.410 36.467 38.000 -0.205 0.000 1.079 395 I HN 0.765 nan 8.210 nan 0.000 0.425 396 E N 0.436 120.635 120.200 -0.002 0.000 2.097 396 E HA -0.303 4.047 4.350 0.000 0.000 0.196 396 E C 2.105 178.706 176.600 0.003 0.000 1.000 396 E CA 1.524 57.921 56.400 -0.006 0.000 0.804 396 E CB -1.178 28.549 29.700 0.045 0.000 0.740 396 E HN 0.592 nan 8.360 nan 0.000 0.454 397 H N -0.051 119.023 119.070 0.007 0.000 2.353 397 H HA -0.133 4.423 4.556 0.000 0.000 0.300 397 H C 1.946 177.290 175.328 0.027 0.000 1.090 397 H CA 1.595 57.664 56.048 0.034 0.000 1.327 397 H CB -0.194 29.625 29.762 0.094 0.000 1.383 397 H HN 0.164 nan 8.280 nan 0.000 0.508 398 F N 2.015 121.877 119.950 -0.147 0.000 2.060 398 F HA -0.198 4.329 4.527 0.000 0.000 0.295 398 F C 3.016 178.481 175.800 -0.559 0.000 1.120 398 F CA 1.938 59.778 58.000 -0.267 0.000 1.205 398 F CB -0.950 37.972 39.000 -0.129 0.000 0.986 398 F HN 0.244 nan 8.300 nan 0.000 0.470 399 S N -0.172 114.962 115.700 -0.943 0.000 2.383 399 S HA -0.337 4.133 4.470 0.000 0.000 0.229 399 S C 2.091 176.286 174.600 -0.675 0.000 1.030 399 S CA 1.401 58.804 58.200 -1.329 0.000 1.002 399 S CB -1.146 61.304 63.200 -1.250 0.000 0.829 399 S HN 0.719 nan 8.310 nan 0.000 0.467 400 Q N 1.322 120.904 119.800 -0.364 0.000 2.135 400 Q HA -0.065 4.275 4.340 0.000 0.000 0.204 400 Q C 2.182 178.028 176.000 -0.256 0.000 0.981 400 Q CA 1.463 57.153 55.803 -0.189 0.000 0.856 400 Q CB -0.566 28.079 28.738 -0.153 0.000 0.902 400 Q HN 0.757 nan 8.270 nan 0.000 0.425 401 A N -0.395 122.183 122.820 -0.403 0.000 1.970 401 A HA -0.041 4.279 4.320 0.000 0.000 0.216 401 A C 2.098 179.463 177.584 -0.365 0.000 1.170 401 A CA 1.072 52.900 52.037 -0.349 0.000 0.645 401 A CB -0.253 18.542 19.000 -0.341 0.000 0.816 401 A HN 0.289 nan 8.150 nan 0.000 0.447 402 V N -0.669 118.901 119.914 -0.573 0.000 2.453 402 V HA -0.227 3.893 4.120 0.000 0.000 0.247 402 V C 2.228 178.139 176.094 -0.304 0.000 1.048 402 V CA 2.156 64.148 62.300 -0.514 0.000 1.049 402 V CB -1.078 30.319 31.823 -0.710 0.000 0.672 402 V HN 0.724 nan 8.190 nan 0.000 0.457 403 H N -0.546 118.383 119.070 -0.234 0.000 2.389 403 H HA -0.147 4.409 4.556 0.000 0.000 0.299 403 H C 2.410 177.672 175.328 -0.110 0.000 1.081 403 H CA 1.333 57.299 56.048 -0.136 0.000 1.345 403 H CB 0.147 29.829 29.762 -0.133 0.000 1.393 403 H HN 0.375 nan 8.280 nan 0.000 0.520 404 Q N 0.068 119.861 119.800 -0.012 0.000 2.364 404 Q HA -0.099 4.242 4.340 0.000 0.000 0.207 404 Q C 1.363 177.341 176.000 -0.036 0.000 0.970 404 Q CA 0.752 56.536 55.803 -0.033 0.000 0.888 404 Q CB 0.393 29.093 28.738 -0.063 0.000 0.951 404 Q HN 0.444 nan 8.270 nan 0.000 0.469 405 Q N -0.806 118.963 119.800 -0.052 0.000 2.320 405 Q HA 0.173 4.513 4.340 0.000 0.000 0.201 405 Q C 0.369 176.358 176.000 -0.019 0.000 0.910 405 Q CA 0.600 56.377 55.803 -0.044 0.000 0.946 405 Q CB 1.072 29.768 28.738 -0.069 0.000 1.062 405 Q HN 0.387 nan 8.270 nan 0.000 0.503 409 F N 0.631 120.488 119.950 -0.156 0.000 2.539 409 F HA 0.652 5.179 4.527 0.000 0.000 0.318 409 F C -0.405 175.361 175.800 -0.057 0.000 1.135 409 F CA -0.164 57.711 58.000 -0.208 0.000 0.915 409 F CB 1.976 40.698 39.000 -0.463 0.000 1.176 409 F HN 0.554 nan 8.300 nan 0.000 0.440 410 G N 4.770 113.100 108.800 -0.784 0.000 2.511 410 G HA2 0.692 4.653 3.960 0.000 0.000 0.318 410 G HA3 0.692 4.653 3.960 0.000 0.000 0.318 410 G C -2.327 172.139 174.900 -0.723 0.000 1.210 410 G CA -0.842 43.972 45.100 -0.476 0.000 0.969 410 G HN 0.951 nan 8.290 nan 0.000 0.484 411 L N -0.764 120.301 121.223 -0.263 0.000 2.506 411 L HA 0.821 5.161 4.340 0.000 0.000 0.257 411 L C -2.059 174.826 176.870 0.026 0.000 0.964 411 L CA -1.412 53.278 54.840 -0.249 0.000 0.836 411 L CB 1.917 43.709 42.059 -0.444 0.000 1.384 411 L HN 0.668 nan 8.230 nan 0.000 0.410 412 W N 4.098 125.334 121.300 -0.107 0.000 2.433 412 W HA 0.759 5.419 4.660 0.000 0.000 0.315 412 W C -1.694 174.750 176.519 -0.126 0.000 1.087 412 W CA -0.236 57.131 57.345 0.037 0.000 1.205 412 W CB 1.205 30.757 29.460 0.153 0.000 1.288 412 W HN 0.439 nan 8.180 nan 0.000 0.504 413 F N 3.226 122.705 119.950 -0.784 0.000 2.613 413 F HA 0.261 4.789 4.527 0.000 0.000 0.314 413 F C -0.024 174.720 175.800 -1.761 0.000 1.075 413 F CA -1.065 56.107 58.000 -1.380 0.000 0.945 413 F CB 2.402 40.628 39.000 -1.291 0.000 1.310 413 F HN 0.304 nan 8.300 nan 0.000 0.467 414 E N 3.017 122.363 120.200 -1.425 0.000 3.651 414 E HA 0.278 4.628 4.350 0.000 0.000 0.220 414 E C -2.111 174.309 176.600 -0.301 0.000 1.222 414 E CA -1.708 54.301 56.400 -0.652 0.000 1.114 414 E CB 0.747 30.294 29.700 -0.254 0.000 1.278 414 E HN 0.228 nan 8.360 nan 0.000 0.412 415 P HA -0.051 nan 4.420 nan 0.000 0.233 415 P C -0.116 177.152 177.300 -0.054 0.000 1.167 415 P CA 0.537 63.388 63.100 -0.416 0.000 0.770 415 P CB 0.469 31.654 31.700 -0.858 0.000 0.837 419 S N 4.095 119.892 115.700 0.161 0.000 2.617 419 S HA 0.476 4.947 4.470 0.000 0.000 0.269 419 S C 0.862 175.484 174.600 0.037 0.000 1.292 419 S CA 0.003 58.279 58.200 0.127 0.000 1.010 419 S CB 1.854 65.082 63.200 0.046 0.000 0.944 419 S HN 0.775 nan 8.310 nan 0.000 0.536 420 V N 0.861 120.734 119.914 -0.069 0.000 2.488 420 V HA -0.073 4.047 4.120 0.000 0.000 0.246 420 V C 0.898 176.892 176.094 -0.167 0.000 1.046 420 V CA 1.470 63.496 62.300 -0.457 0.000 1.053 420 V CB -0.310 31.220 31.823 -0.488 0.000 0.679 420 V HN 0.846 nan 8.190 nan 0.000 0.458 421 D N 1.214 121.598 120.400 -0.027 0.000 2.551 421 D HA 0.253 4.893 4.640 0.000 0.000 0.223 421 D C -0.108 176.270 176.300 0.130 0.000 1.144 421 D CA 0.378 54.420 54.000 0.070 0.000 1.025 421 D CB -0.244 40.605 40.800 0.082 0.000 1.085 421 D HN 0.487 nan 8.370 nan 0.000 0.506 422 S N -0.055 115.740 115.700 0.158 0.000 2.552 422 S HA 0.477 4.947 4.470 0.000 0.000 0.272 422 S C 0.874 175.574 174.600 0.168 0.000 1.150 422 S CA -0.279 58.020 58.200 0.165 0.000 0.849 422 S CB 0.967 64.225 63.200 0.098 0.000 1.113 422 S HN 0.080 nan 8.310 nan 0.000 0.458 423 D N 1.365 121.865 120.400 0.166 0.000 2.123 423 D HA -0.053 4.587 4.640 0.000 0.000 0.196 423 D C 1.812 178.166 176.300 0.090 0.000 0.992 423 D CA 1.544 55.626 54.000 0.137 0.000 0.833 423 D CB -0.538 40.391 40.800 0.214 0.000 0.954 423 D HN 0.610 nan 8.370 nan 0.000 0.455 424 L N -1.245 120.059 121.223 0.134 0.000 2.013 424 L HA -0.184 4.156 4.340 0.000 0.000 0.212 424 L C 2.663 179.546 176.870 0.022 0.000 1.073 424 L CA 2.348 57.238 54.840 0.083 0.000 0.753 424 L CB -0.386 41.766 42.059 0.154 0.000 0.890 424 L HN 0.552 nan 8.230 nan 0.000 0.432 425 Y N 0.563 120.857 120.300 -0.011 0.000 2.200 425 Y HA -0.288 4.262 4.550 0.000 0.000 0.290 425 Y C 2.649 178.495 175.900 -0.091 0.000 1.137 425 Y CA 1.791 59.869 58.100 -0.037 0.000 1.163 425 Y CB -0.227 38.225 38.460 -0.012 0.000 0.988 425 Y HN 0.265 nan 8.280 nan 0.000 0.518 426 Q N -0.355 119.377 119.800 -0.112 0.000 2.170 426 Q HA -0.212 4.128 4.340 0.000 0.000 0.203 426 Q C 2.080 177.893 176.000 -0.311 0.000 0.976 426 Q CA 1.865 57.553 55.803 -0.193 0.000 0.858 426 Q CB -0.071 28.637 28.738 -0.051 0.000 0.907 426 Q HN 0.608 nan 8.270 nan 0.000 0.433 427 Q N -1.170 118.419 119.800 -0.352 0.000 2.402 427 Q HA 0.029 4.369 4.340 0.000 0.000 0.206 427 Q C -0.168 175.262 176.000 -0.950 0.000 0.919 427 Q CA 0.471 55.930 55.803 -0.573 0.000 0.923 427 Q CB 0.697 29.100 28.738 -0.559 0.000 1.048 427 Q HN 0.435 nan 8.270 nan 0.000 0.515 428 H N -1.510 117.232 119.070 -0.547 0.000 2.695 428 H HA 0.126 4.683 4.556 0.000 0.000 0.222 428 H C -2.092 172.911 175.328 -0.543 0.000 1.412 428 H CA -1.315 54.277 56.048 -0.760 0.000 1.347 428 H CB 0.983 29.857 29.762 -1.481 0.000 1.858 428 H HN 0.078 nan 8.280 nan 0.000 0.519 429 P HA -0.166 nan 4.420 nan 0.000 0.220 429 P C 1.253 178.508 177.300 -0.075 0.000 1.148 429 P CA 1.151 63.993 63.100 -0.429 0.000 0.803 429 P CB 0.284 31.664 31.700 -0.533 0.000 0.782 430 D N -2.340 118.037 120.400 -0.038 0.000 2.378 430 D HA -0.146 4.495 4.640 0.000 0.000 0.227 430 D C 0.919 177.437 176.300 0.365 0.000 1.012 430 D CA 0.403 54.485 54.000 0.137 0.000 0.905 430 D CB -0.848 40.027 40.800 0.126 0.000 0.895 430 D HN 0.196 nan 8.370 nan 0.000 0.532 431 W N 0.541 121.880 121.300 0.066 0.000 2.942 431 W HA 0.301 4.961 4.660 0.000 0.000 0.263 431 W C 0.527 177.124 176.519 0.130 0.000 1.296 431 W CA -0.882 56.504 57.345 0.068 0.000 1.504 431 W CB -0.734 28.730 29.460 0.007 0.000 1.096 431 W HN -0.101 nan 8.180 nan 0.000 0.639 432 L N 0.718 122.162 121.223 0.369 0.000 2.499 432 L HA -0.059 4.281 4.340 0.000 0.000 0.281 432 L C 0.614 177.672 176.870 0.313 0.000 1.234 432 L CA 0.488 55.518 54.840 0.318 0.000 0.839 432 L CB 0.147 42.349 42.059 0.239 0.000 1.104 432 L HN -0.265 nan 8.230 nan 0.000 0.500 433 I N 3.793 124.551 120.570 0.313 0.000 2.363 433 I HA 0.128 4.298 4.170 0.000 0.000 0.292 433 I C -0.067 176.260 176.117 0.351 0.000 1.075 433 I CA 0.147 61.629 61.300 0.303 0.000 1.333 433 I CB -0.177 37.975 38.000 0.253 0.000 1.415 433 I HN 0.513 nan 8.210 nan 0.000 0.502 434 H N 6.092 125.300 119.070 0.229 0.000 2.966 434 H HA 0.467 5.023 4.556 0.000 0.000 0.347 434 H C -1.303 174.096 175.328 0.118 0.000 1.048 434 H CA -0.776 55.368 56.048 0.160 0.000 1.295 434 H CB 1.943 31.766 29.762 0.102 0.000 1.744 434 H HN 0.642 nan 8.280 nan 0.000 0.513 435 A N 6.584 129.105 122.820 -0.498 0.000 2.404 435 A HA 0.296 4.616 4.320 0.000 0.000 0.273 435 A C -1.652 175.438 177.584 -0.824 0.000 1.144 435 A CA -1.281 50.406 52.037 -0.584 0.000 0.806 435 A CB 0.334 19.141 19.000 -0.321 0.000 1.080 435 A HN 0.640 nan 8.150 nan 0.000 0.509 436 P HA -0.232 nan 4.420 nan 0.000 0.222 436 P C 0.724 177.911 177.300 -0.188 0.000 1.159 436 P CA 1.931 64.798 63.100 -0.387 0.000 0.920 436 P CB 0.166 31.600 31.700 -0.443 0.000 0.793 437 K N -1.279 118.998 120.400 -0.205 0.000 2.373 437 K HA 0.138 4.458 4.320 0.000 0.000 0.202 437 K C 0.424 176.994 176.600 -0.051 0.000 1.025 437 K CA -0.104 56.135 56.287 -0.079 0.000 1.115 437 K CB 0.238 32.697 32.500 -0.068 0.000 0.858 437 K HN 0.204 nan 8.250 nan 0.000 0.525 438 S N -0.178 115.446 115.700 -0.127 0.000 2.616 438 S HA 0.243 4.713 4.470 0.000 0.000 0.277 438 S C 0.148 174.812 174.600 0.107 0.000 1.234 438 S CA -0.831 57.334 58.200 -0.059 0.000 1.028 438 S CB 1.243 64.357 63.200 -0.144 0.000 0.988 438 S HN 0.060 nan 8.310 nan 0.000 0.522 439 T N 4.064 118.673 114.554 0.092 0.000 2.738 439 T HA 0.348 4.698 4.350 0.000 0.000 0.293 439 T C -2.232 172.567 174.700 0.165 0.000 0.913 439 T CA -0.904 61.272 62.100 0.126 0.000 1.103 439 T CB -0.041 68.875 68.868 0.079 0.000 0.880 439 T HN 0.583 nan 8.240 nan 0.000 0.526 440 P HA 0.183 nan 4.420 nan 0.000 0.271 440 P C -0.610 176.880 177.300 0.317 0.000 1.216 440 P CA -0.348 62.942 63.100 0.316 0.000 0.776 440 P CB 0.506 32.354 31.700 0.246 0.000 0.881 441 T N 4.849 119.592 114.554 0.315 0.000 2.788 441 T HA 0.359 4.709 4.350 0.000 0.000 0.296 441 T C -2.261 172.472 174.700 0.056 0.000 1.009 441 T CA -1.424 60.778 62.100 0.170 0.000 0.949 441 T CB 0.738 69.666 68.868 0.100 0.000 0.946 441 T HN 0.364 nan 8.240 nan 0.000 0.453 442 P HA 0.376 nan 4.420 nan 0.000 0.275 442 P C -0.187 176.892 177.300 -0.368 0.000 1.228 442 P CA -0.265 62.515 63.100 -0.534 0.000 0.786 442 P CB 0.876 32.416 31.700 -0.267 0.000 0.927 443 G N 2.164 110.698 108.800 -0.442 0.000 2.626 443 G HA2 0.370 4.330 3.960 0.000 0.000 0.304 443 G HA3 0.370 4.330 3.960 0.000 0.000 0.304 443 G C -0.095 174.622 174.900 -0.305 0.000 1.385 443 G CA -0.814 44.115 45.100 -0.285 0.000 0.957 443 G HN 0.578 nan 8.290 nan 0.000 0.504 444 R N 2.343 122.626 120.500 -0.362 0.000 3.251 444 R HA -0.230 4.110 4.340 0.000 0.000 0.249 444 R C 0.146 176.247 176.300 -0.332 0.000 0.949 444 R CA 0.993 56.855 56.100 -0.397 0.000 0.645 444 R CB -1.803 28.412 30.300 -0.143 0.000 1.065 444 R HN 1.135 nan 8.270 nan 0.000 0.452 445 H N -1.968 117.022 119.070 -0.133 0.000 2.776 445 H HA -0.270 4.286 4.556 0.000 0.000 0.300 445 H C 0.507 175.751 175.328 -0.140 0.000 1.161 445 H CA 1.743 57.718 56.048 -0.123 0.000 1.147 445 H CB -0.961 28.761 29.762 -0.066 0.000 1.366 445 H HN 0.815 nan 8.280 nan 0.000 0.397 446 Q N -0.885 118.761 119.800 -0.256 0.000 2.626 446 Q HA 0.718 5.058 4.340 0.000 0.000 0.300 446 Q C -1.461 174.217 176.000 -0.538 0.000 0.988 446 Q CA -1.078 54.626 55.803 -0.165 0.000 0.761 446 Q CB 1.926 30.680 28.738 0.027 0.000 1.494 446 Q HN 0.071 nan 8.270 nan 0.000 0.439 447 F N -0.397 119.603 119.950 0.082 0.000 2.650 447 F HA 0.666 5.193 4.527 0.000 0.000 0.320 447 F C -0.466 175.424 175.800 0.151 0.000 1.091 447 F CA -0.978 57.086 58.000 0.106 0.000 0.962 447 F CB 2.115 41.172 39.000 0.094 0.000 1.363 447 F HN 0.459 nan 8.300 nan 0.000 0.482 448 V N 2.527 122.661 119.914 0.367 0.000 2.483 448 V HA 0.643 4.763 4.120 0.000 0.000 0.295 448 V C -0.906 175.389 176.094 0.335 0.000 1.035 448 V CA -0.688 61.800 62.300 0.313 0.000 0.896 448 V CB 1.483 33.461 31.823 0.257 0.000 0.986 448 V HN 0.643 nan 8.190 nan 0.000 0.447 449 L N 4.551 125.968 121.223 0.322 0.000 2.371 449 L HA 0.425 4.765 4.340 0.000 0.000 0.272 449 L C 0.650 177.670 176.870 0.250 0.000 1.124 449 L CA -0.234 54.770 54.840 0.274 0.000 0.816 449 L CB 0.941 43.128 42.059 0.214 0.000 1.129 449 L HN 0.791 nan 8.230 nan 0.000 0.448 453 R N 0.979 121.404 120.500 -0.125 0.000 2.216 453 R HA 0.399 4.739 4.340 0.000 0.000 0.332 453 R C -1.970 174.217 176.300 -0.189 0.000 1.056 453 R CA -1.819 54.178 56.100 -0.171 0.000 0.901 453 R CB 0.862 30.982 30.300 -0.301 0.000 1.039 453 R HN 0.062 nan 8.270 nan 0.000 0.456 454 P HA -0.287 nan 4.420 nan 0.000 0.216 454 P C 1.061 178.285 177.300 -0.125 0.000 1.154 454 P CA 1.282 64.323 63.100 -0.098 0.000 0.865 454 P CB 0.240 31.908 31.700 -0.053 0.000 0.789 455 E N -0.183 119.924 120.200 -0.154 0.000 2.150 455 E HA -0.101 4.249 4.350 0.000 0.000 0.193 455 E C 1.837 178.235 176.600 -0.337 0.000 0.985 455 E CA 1.219 57.532 56.400 -0.144 0.000 0.814 455 E CB -1.329 28.357 29.700 -0.023 0.000 0.752 455 E HN 0.085 nan 8.360 nan 0.000 0.466 456 V N 1.739 121.259 119.914 -0.657 0.000 2.261 456 V HA -0.240 3.880 4.120 0.000 0.000 0.246 456 V C 2.803 178.747 176.094 -0.251 0.000 1.047 456 V CA 1.675 63.494 62.300 -0.803 0.000 1.015 456 V CB -0.516 30.836 31.823 -0.785 0.000 0.642 456 V HN 0.116 nan 8.190 nan 0.000 0.446 457 V N 0.280 120.083 119.914 -0.186 0.000 2.287 457 V HA -0.310 3.810 4.120 0.000 0.000 0.248 457 V C 2.335 178.437 176.094 0.014 0.000 1.053 457 V CA 2.347 64.599 62.300 -0.079 0.000 1.027 457 V CB -0.819 30.951 31.823 -0.090 0.000 0.646 457 V HN 0.551 nan 8.190 nan 0.000 0.447 458 D N -1.117 119.290 120.400 0.012 0.000 2.133 458 D HA -0.233 4.407 4.640 0.000 0.000 0.195 458 D C 1.919 178.329 176.300 0.184 0.000 0.997 458 D CA 1.860 55.912 54.000 0.088 0.000 0.840 458 D CB -0.366 40.472 40.800 0.064 0.000 0.947 458 D HN 0.629 nan 8.370 nan 0.000 0.452 459 Y N 1.155 121.488 120.300 0.054 0.000 2.145 459 Y HA -0.167 4.383 4.550 0.000 0.000 0.286 459 Y C 2.171 178.144 175.900 0.122 0.000 1.145 459 Y CA 1.434 59.620 58.100 0.143 0.000 1.148 459 Y CB -0.320 38.281 38.460 0.235 0.000 0.981 459 Y HN -0.074 nan 8.280 nan 0.000 0.507 460 L N -1.284 120.018 121.223 0.132 0.000 2.156 460 L HA -0.122 4.218 4.340 0.000 0.000 0.208 460 L C 2.229 178.999 176.870 -0.165 0.000 1.095 460 L CA 1.030 55.835 54.840 -0.058 0.000 0.770 460 L CB -0.659 41.363 42.059 -0.062 0.000 0.914 460 L HN 0.276 nan 8.230 nan 0.000 0.439 461 F N 1.157 121.011 119.950 -0.160 0.000 2.234 461 F HA -0.203 4.324 4.527 0.000 0.000 0.299 461 F C 2.437 178.169 175.800 -0.113 0.000 1.087 461 F CA 1.434 59.350 58.000 -0.140 0.000 1.340 461 F CB 0.085 39.046 39.000 -0.065 0.000 1.031 461 F HN -0.159 nan 8.300 nan 0.000 0.500 462 K N 0.698 121.091 120.400 -0.011 0.000 2.103 462 K HA 0.047 4.367 4.320 0.000 0.000 0.204 462 K C 0.793 177.275 176.600 -0.197 0.000 1.052 462 K CA 0.675 56.921 56.287 -0.067 0.000 0.945 462 K CB -0.421 32.098 32.500 0.031 0.000 0.722 462 K HN 0.254 nan 8.250 nan 0.000 0.443 469 E N 1.316 121.416 120.200 -0.168 0.000 2.060 469 E HA -0.103 4.247 4.350 0.000 0.000 0.189 469 E C 2.051 178.653 176.600 0.004 0.000 0.974 469 E CA 1.682 58.065 56.400 -0.029 0.000 0.808 469 E CB 0.197 29.914 29.700 0.027 0.000 0.768 469 E HN 0.484 nan 8.360 nan 0.000 0.453 470 S N 0.455 116.157 115.700 0.004 0.000 2.395 470 S HA 0.033 4.503 4.470 0.000 0.000 0.225 470 S C 2.018 176.630 174.600 0.019 0.000 1.027 470 S CA 0.719 58.933 58.200 0.023 0.000 0.965 470 S CB 0.180 63.404 63.200 0.038 0.000 0.812 470 S HN 0.204 nan 8.310 nan 0.000 0.482 471 A N 1.375 124.207 122.820 0.019 0.000 2.251 471 A HA 0.291 4.611 4.320 0.000 0.000 0.209 471 A C 0.744 178.374 177.584 0.077 0.000 1.187 471 A CA 0.048 52.093 52.037 0.014 0.000 0.823 471 A CB -0.547 18.467 19.000 0.024 0.000 0.846 471 A HN 0.517 nan 8.150 nan 0.000 0.486 472 N N -0.345 118.396 118.700 0.069 0.000 2.735 472 N HA -0.134 4.606 4.740 0.000 0.000 0.248 472 N C -0.451 175.179 175.510 0.201 0.000 1.083 472 N CA 0.721 53.828 53.050 0.095 0.000 0.703 472 N CB -1.597 36.912 38.487 0.037 0.000 1.005 472 N HN 0.547 nan 8.380 nan 0.000 0.550 473 L N 0.472 121.788 121.223 0.155 0.000 2.514 473 L HA -0.031 4.309 4.340 0.000 0.000 0.280 473 L C 1.510 178.462 176.870 0.135 0.000 1.223 473 L CA 0.654 55.598 54.840 0.173 0.000 0.864 473 L CB 0.307 42.380 42.059 0.024 0.000 1.118 473 L HN 0.090 nan 8.230 nan 0.000 0.494 474 D N 1.001 121.503 120.400 0.169 0.000 2.392 474 D HA 0.043 4.683 4.640 0.000 0.000 0.206 474 D C -0.449 175.922 176.300 0.119 0.000 1.046 474 D CA 0.640 54.737 54.000 0.162 0.000 0.865 474 D CB 0.894 41.818 40.800 0.207 0.000 0.969 474 D HN 0.426 nan 8.370 nan 0.000 0.509 475 Y N 0.471 120.677 120.300 -0.156 0.000 2.558 475 Y HA 0.454 5.004 4.550 0.000 0.000 0.333 475 Y C -2.225 173.479 175.900 -0.327 0.000 1.125 475 Y CA -0.979 56.970 58.100 -0.251 0.000 1.039 475 Y CB 1.213 39.560 38.460 -0.189 0.000 1.331 475 Y HN -0.291 nan 8.280 nan 0.000 0.456 476 I N 5.630 125.719 120.570 -0.802 0.000 2.534 476 I HA 0.352 4.522 4.170 0.000 0.000 0.288 476 I C -1.138 174.638 176.117 -0.568 0.000 1.077 476 I CA -0.938 60.023 61.300 -0.564 0.000 1.051 476 I CB 2.092 39.677 38.000 -0.691 0.000 1.234 476 I HN 0.554 nan 8.210 nan 0.000 0.425 477 K N 6.530 126.801 120.400 -0.215 0.000 2.263 477 K HA 0.157 4.477 4.320 0.000 0.000 0.282 477 K C -1.220 175.363 176.600 -0.027 0.000 1.089 477 K CA -0.505 55.751 56.287 -0.051 0.000 0.907 477 K CB 0.893 33.518 32.500 0.207 0.000 1.148 477 K HN 0.494 nan 8.250 nan 0.000 0.470 478 W N 6.434 127.640 121.300 -0.156 0.000 2.283 478 W HA 0.245 4.905 4.660 0.000 0.000 0.317 478 W C -0.819 175.584 176.519 -0.194 0.000 1.042 478 W CA -0.894 56.322 57.345 -0.216 0.000 1.348 478 W CB 0.417 29.818 29.460 -0.099 0.000 1.216 478 W HN 0.642 nan 8.180 nan 0.000 0.404 482 R N -0.882 119.543 120.500 -0.125 0.000 2.752 482 R HA 0.477 4.817 4.340 0.000 0.000 0.271 482 R C -1.953 174.186 176.300 -0.268 0.000 1.026 482 R CA -0.641 55.334 56.100 -0.210 0.000 0.901 482 R CB 0.871 31.105 30.300 -0.110 0.000 1.243 482 R HN -0.192 nan 8.270 nan 0.000 0.463 483 Y N 0.374 120.703 120.300 0.047 0.000 2.360 483 Y HA 0.617 5.167 4.550 0.000 0.000 0.337 483 Y C 0.548 176.458 175.900 0.016 0.000 1.039 483 Y CA -0.453 57.671 58.100 0.041 0.000 1.109 483 Y CB 2.066 40.556 38.460 0.050 0.000 1.201 483 Y HN 0.862 nan 8.280 nan 0.000 0.458 484 A N 1.894 124.813 122.820 0.165 0.000 2.445 484 A HA 0.516 4.836 4.320 0.000 0.000 0.242 484 A C 0.211 177.855 177.584 0.100 0.000 1.075 484 A CA 0.218 52.310 52.037 0.092 0.000 0.777 484 A CB 0.205 19.203 19.000 -0.003 0.000 1.013 484 A HN 0.694 nan 8.150 nan 0.000 0.493 485 T N 0.543 115.164 114.554 0.112 0.000 2.900 485 T HA 0.548 4.898 4.350 0.000 0.000 0.303 485 T C -0.749 174.026 174.700 0.124 0.000 1.142 485 T CA 0.097 62.260 62.100 0.105 0.000 1.007 485 T CB 0.624 69.553 68.868 0.102 0.000 1.156 485 T HN 0.985 nan 8.240 nan 0.000 0.490 489 S N 2.138 117.613 115.700 -0.374 0.000 2.561 489 S HA 0.436 4.906 4.470 0.000 0.000 0.303 489 S C 0.290 174.720 174.600 -0.284 0.000 1.110 489 S CA 0.076 58.184 58.200 -0.154 0.000 1.034 489 S CB 1.307 64.444 63.200 -0.105 0.000 1.010 489 S HN 1.004 nan 8.310 nan 0.000 0.482 490 S N 3.967 119.729 115.700 0.103 0.000 2.660 490 S HA 0.087 4.557 4.470 0.000 0.000 0.223 490 S C 1.275 175.913 174.600 0.063 0.000 0.963 490 S CA 0.081 58.392 58.200 0.185 0.000 0.932 490 S CB -0.195 63.181 63.200 0.294 0.000 0.775 490 S HN 0.686 nan 8.310 nan 0.000 0.531 491 R N 0.358 120.856 120.500 -0.004 0.000 2.362 491 R HA 0.472 4.813 4.340 0.000 0.000 0.227 491 R C -0.114 176.149 176.300 -0.062 0.000 0.905 491 R CA 0.062 56.155 56.100 -0.011 0.000 1.067 491 R CB 0.009 30.308 30.300 -0.002 0.000 1.078 491 R HN 0.408 nan 8.270 nan 0.000 0.516 492 L N 1.056 122.201 121.223 -0.131 0.000 2.334 492 L HA 0.428 4.768 4.340 0.000 0.000 0.273 492 L C 0.351 177.120 176.870 -0.169 0.000 1.013 492 L CA -1.039 53.703 54.840 -0.164 0.000 0.816 492 L CB 1.908 43.841 42.059 -0.210 0.000 1.278 492 L HN 0.161 nan 8.230 nan 0.000 0.431 493 T N -1.952 112.522 114.554 -0.133 0.000 2.766 493 T HA -0.013 4.337 4.350 0.000 0.000 0.295 493 T C 1.270 175.905 174.700 -0.107 0.000 1.024 493 T CA 0.031 62.074 62.100 -0.095 0.000 1.018 493 T CB 1.239 70.058 68.868 -0.081 0.000 1.002 493 T HN 0.619 nan 8.240 nan 0.000 0.532 494 S N 0.057 115.727 115.700 -0.050 0.000 2.374 494 S HA -0.166 4.304 4.470 0.000 0.000 0.227 494 S C 1.503 176.067 174.600 -0.062 0.000 1.037 494 S CA 1.673 59.860 58.200 -0.023 0.000 1.024 494 S CB -0.962 62.245 63.200 0.012 0.000 0.861 494 S HN 0.754 nan 8.310 nan 0.000 0.456 495 D N 0.473 120.824 120.400 -0.081 0.000 2.347 495 D HA 0.050 4.691 4.640 0.000 0.000 0.215 495 D C 1.831 178.039 176.300 -0.154 0.000 0.976 495 D CA 0.607 54.545 54.000 -0.104 0.000 0.884 495 D CB -0.077 40.662 40.800 -0.101 0.000 0.915 495 D HN 0.588 nan 8.370 nan 0.000 0.526 496 Q N -0.529 119.167 119.800 -0.174 0.000 2.352 496 Q HA 0.055 4.395 4.340 0.000 0.000 0.212 496 Q C 1.654 177.536 176.000 -0.197 0.000 0.888 496 Q CA -0.087 55.580 55.803 -0.226 0.000 0.934 496 Q CB 0.517 29.112 28.738 -0.238 0.000 1.093 496 Q HN 0.107 nan 8.270 nan 0.000 0.523 497 Q N 0.721 120.415 119.800 -0.176 0.000 2.173 497 Q HA -0.171 4.169 4.340 0.000 0.000 0.208 497 Q C 1.802 177.751 176.000 -0.086 0.000 0.989 497 Q CA 1.192 56.895 55.803 -0.168 0.000 0.872 497 Q CB -0.243 28.410 28.738 -0.142 0.000 0.909 497 Q HN 0.449 nan 8.270 nan 0.000 0.420 498 L N 0.758 121.931 121.223 -0.084 0.000 2.633 498 L HA -0.125 4.215 4.340 0.000 0.000 0.235 498 L C 1.565 178.420 176.870 -0.025 0.000 1.163 498 L CA 0.611 55.419 54.840 -0.052 0.000 0.859 498 L CB -0.197 41.803 42.059 -0.099 0.000 0.973 498 L HN 0.228 nan 8.230 nan 0.000 0.451 499 E N -0.466 119.711 120.200 -0.038 0.000 2.474 499 E HA -0.027 4.323 4.350 0.000 0.000 0.194 499 E C 2.084 178.815 176.600 0.219 0.000 1.041 499 E CA -0.148 56.311 56.400 0.099 0.000 0.874 499 E CB 0.366 29.970 29.700 -0.160 0.000 0.914 499 E HN 0.452 nan 8.360 nan 0.000 0.498 500 L N 1.383 122.680 121.223 0.122 0.000 1.970 500 L HA -0.125 4.215 4.340 0.000 0.000 0.212 500 L C -0.647 176.365 176.870 0.236 0.000 1.071 500 L CA 1.894 56.819 54.840 0.140 0.000 0.751 500 L CB -1.087 41.011 42.059 0.064 0.000 0.889 500 L HN 0.087 nan 8.230 nan 0.000 0.432 501 P HA -0.221 nan 4.420 nan 0.000 0.215 501 P C 1.486 179.029 177.300 0.405 0.000 1.157 501 P CA 1.592 64.845 63.100 0.254 0.000 0.874 501 P CB -0.223 31.627 31.700 0.251 0.000 0.790 502 H N -0.541 118.774 119.070 0.409 0.000 2.333 502 H HA 0.046 4.602 4.556 0.000 0.000 0.302 502 H C 2.112 177.676 175.328 0.393 0.000 1.075 502 H CA 1.057 57.386 56.048 0.468 0.000 1.348 502 H CB 0.164 30.273 29.762 0.579 0.000 1.393 502 H HN -0.070 nan 8.280 nan 0.000 0.509 503 R N -0.353 120.392 120.500 0.409 0.000 2.117 503 R HA -0.218 4.122 4.340 0.000 0.000 0.243 503 R C 2.285 178.669 176.300 0.141 0.000 1.143 503 R CA 1.833 58.090 56.100 0.261 0.000 0.968 503 R CB -0.505 29.962 30.300 0.278 0.000 0.863 503 R HN 0.411 nan 8.270 nan 0.000 0.444 504 Y N 1.025 121.361 120.300 0.059 0.000 2.163 504 Y HA -0.202 4.348 4.550 0.000 0.000 0.288 504 Y C 2.105 177.955 175.900 -0.084 0.000 1.136 504 Y CA 1.275 59.379 58.100 0.007 0.000 1.147 504 Y CB -0.174 38.314 38.460 0.046 0.000 0.987 504 Y HN -0.091 nan 8.280 nan 0.000 0.509 505 I N 0.466 121.102 120.570 0.111 0.000 2.226 505 I HA -0.297 3.873 4.170 0.000 0.000 0.245 505 I C 2.413 178.234 176.117 -0.493 0.000 1.100 505 I CA 1.383 62.527 61.300 -0.261 0.000 1.374 505 I CB -1.218 36.617 38.000 -0.275 0.000 1.057 505 I HN 0.390 nan 8.210 nan 0.000 0.413 506 L N 0.085 121.150 121.223 -0.263 0.000 2.081 506 L HA -0.208 4.132 4.340 0.000 0.000 0.212 506 L C 2.513 179.324 176.870 -0.098 0.000 1.080 506 L CA 1.602 56.374 54.840 -0.114 0.000 0.754 506 L CB -1.133 40.866 42.059 -0.100 0.000 0.893 506 L HN 0.308 nan 8.230 nan 0.000 0.433 507 G N -0.682 108.019 108.800 -0.164 0.000 2.404 507 G HA2 -0.188 3.772 3.960 0.000 0.000 0.215 507 G HA3 -0.188 3.772 3.960 0.000 0.000 0.215 507 G C 1.597 176.380 174.900 -0.196 0.000 1.174 507 G CA 0.784 45.779 45.100 -0.175 0.000 0.780 507 G HN 0.183 nan 8.290 nan 0.000 0.537 508 V N 0.260 119.986 119.914 -0.314 0.000 2.282 508 V HA -0.241 3.879 4.120 0.000 0.000 0.249 508 V C 2.528 178.549 176.094 -0.121 0.000 1.057 508 V CA 1.672 63.843 62.300 -0.215 0.000 1.032 508 V CB -0.733 30.896 31.823 -0.323 0.000 0.645 508 V HN 0.400 nan 8.190 nan 0.000 0.447 509 Y N 0.008 120.200 120.300 -0.179 0.000 2.207 509 Y HA -0.202 4.348 4.550 0.000 0.000 0.287 509 Y C 2.725 178.475 175.900 -0.251 0.000 1.156 509 Y CA 0.958 58.896 58.100 -0.269 0.000 1.182 509 Y CB -0.932 37.455 38.460 -0.123 0.000 0.979 509 Y HN 0.255 nan 8.280 nan 0.000 0.521 510 Q N 0.040 119.849 119.800 0.015 0.000 2.061 510 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 510 Q C 2.588 178.570 176.000 -0.031 0.000 0.984 510 Q CA 1.215 57.007 55.803 -0.018 0.000 0.846 510 Q CB -0.844 27.875 28.738 -0.033 0.000 0.902 510 Q HN 0.505 nan 8.270 nan 0.000 0.421 511 L N -0.634 120.585 121.223 -0.007 0.000 2.012 511 L HA -0.246 4.094 4.340 0.000 0.000 0.210 511 L C 2.264 179.165 176.870 0.052 0.000 1.073 511 L CA 1.511 56.385 54.840 0.056 0.000 0.748 511 L CB -0.385 41.747 42.059 0.122 0.000 0.891 511 L HN 0.276 nan 8.230 nan 0.000 0.431 512 Y N -0.696 119.511 120.300 -0.156 0.000 2.224 512 Y HA -0.266 4.284 4.550 0.000 0.000 0.289 512 Y C 2.538 178.186 175.900 -0.420 0.000 1.146 512 Y CA 1.318 59.130 58.100 -0.481 0.000 1.182 512 Y CB -0.200 37.575 38.460 -1.141 0.000 0.983 512 Y HN 0.277 nan 8.280 nan 0.000 0.524 513 A N -0.031 122.667 122.820 -0.203 0.000 1.929 513 A HA -0.148 4.172 4.320 0.000 0.000 0.216 513 A C 2.148 179.789 177.584 0.095 0.000 1.176 513 A CA 1.389 53.465 52.037 0.065 0.000 0.628 513 A CB -0.406 18.668 19.000 0.122 0.000 0.816 513 A HN 0.380 nan 8.150 nan 0.000 0.444 514 R N -0.687 119.846 120.500 0.055 0.000 2.090 514 R HA 0.091 4.431 4.340 0.000 0.000 0.228 514 R C 1.936 178.422 176.300 0.311 0.000 1.110 514 R CA 1.164 57.294 56.100 0.050 0.000 0.973 514 R CB -0.342 29.857 30.300 -0.168 0.000 0.869 514 R HN 0.478 nan 8.270 nan 0.000 0.440 515 L N -0.002 121.437 121.223 0.359 0.000 2.131 515 L HA -0.089 4.251 4.340 0.000 0.000 0.206 515 L C 2.471 179.592 176.870 0.418 0.000 1.087 515 L CA 1.433 56.548 54.840 0.458 0.000 0.767 515 L CB -0.530 41.684 42.059 0.257 0.000 0.917 515 L HN 0.346 nan 8.230 nan 0.000 0.441 516 T N -3.989 110.713 114.554 0.246 0.000 3.023 516 T HA -0.129 4.221 4.350 0.000 0.000 0.266 516 T C 1.742 176.570 174.700 0.213 0.000 1.093 516 T CA 0.640 62.904 62.100 0.275 0.000 1.129 516 T CB -0.004 69.005 68.868 0.234 0.000 0.899 516 T HN 0.306 nan 8.240 nan 0.000 0.491 517 Q N 0.668 120.563 119.800 0.158 0.000 2.062 517 Q HA 0.231 4.571 4.340 0.000 0.000 0.196 517 Q C 2.785 178.795 176.000 0.016 0.000 0.967 517 Q CA 1.154 57.001 55.803 0.074 0.000 0.832 517 Q CB -0.320 28.446 28.738 0.047 0.000 0.899 517 Q HN 0.678 nan 8.270 nan 0.000 0.442 518 A N 0.052 122.874 122.820 0.005 0.000 1.933 518 A HA -0.128 4.192 4.320 0.000 0.000 0.218 518 A C 0.274 177.482 177.584 -0.626 0.000 1.175 518 A CA 1.098 52.960 52.037 -0.291 0.000 0.628 518 A CB -0.160 18.703 19.000 -0.229 0.000 0.814 518 A HN 0.410 nan 8.150 nan 0.000 0.444 519 Y N -1.013 119.388 120.300 0.168 0.000 2.562 519 Y HA 0.296 4.846 4.550 0.000 0.000 0.363 519 Y C -1.857 174.161 175.900 0.197 0.000 0.991 519 Y CA -2.119 56.073 58.100 0.154 0.000 1.121 519 Y CB 0.702 39.245 38.460 0.137 0.000 1.159 519 Y HN 0.199 nan 8.280 nan 0.000 0.651 520 P HA -0.126 nan 4.420 nan 0.000 0.226 520 P C 0.347 177.773 177.300 0.210 0.000 1.146 520 P CA 1.343 64.550 63.100 0.178 0.000 0.773 520 P CB 0.521 32.252 31.700 0.052 0.000 0.772 521 N N -0.786 118.059 118.700 0.242 0.000 2.254 521 N HA 0.048 4.788 4.740 0.000 0.000 0.190 521 N C 0.120 175.876 175.510 0.410 0.000 1.107 521 N CA 0.105 53.311 53.050 0.260 0.000 0.869 521 N CB 0.662 39.244 38.487 0.157 0.000 0.983 521 N HN 0.039 nan 8.380 nan 0.000 0.487 522 V N 2.722 122.848 119.914 0.352 0.000 2.439 522 V HA 0.067 4.187 4.120 0.000 0.000 0.271 522 V C 0.227 176.422 176.094 0.168 0.000 1.040 522 V CA -0.576 61.823 62.300 0.164 0.000 1.002 522 V CB 0.889 32.673 31.823 -0.064 0.000 1.000 522 V HN 0.096 nan 8.190 nan 0.000 0.477 523 L N 7.429 128.615 121.223 -0.062 0.000 2.325 523 L HA 0.445 4.785 4.340 0.000 0.000 0.284 523 L C -0.539 176.072 176.870 -0.433 0.000 1.089 523 L CA 0.506 55.038 54.840 -0.513 0.000 0.836 523 L CB -0.164 41.511 42.059 -0.641 0.000 1.184 523 L HN 0.403 nan 8.230 nan 0.000 0.444 524 F N 3.711 123.492 119.950 -0.282 0.000 2.404 524 F HA 0.367 4.894 4.527 0.000 0.000 0.345 524 F C 0.601 176.234 175.800 -0.278 0.000 1.110 524 F CA -0.224 57.643 58.000 -0.221 0.000 1.130 524 F CB 1.074 40.143 39.000 0.115 0.000 1.129 524 F HN 0.496 nan 8.300 nan 0.000 0.500 525 E N 2.458 122.517 120.200 -0.235 0.000 2.155 525 E HA 0.321 4.672 4.350 0.000 0.000 0.264 525 E C -0.756 175.877 176.600 0.055 0.000 0.886 525 E CA -0.636 55.708 56.400 -0.093 0.000 0.752 525 E CB 0.973 30.627 29.700 -0.077 0.000 1.133 525 E HN 0.630 nan 8.360 nan 0.000 0.414 526 S N 3.167 118.901 115.700 0.056 0.000 2.580 526 S HA 0.397 4.868 4.470 0.000 0.000 0.274 526 S C -0.178 174.485 174.600 0.104 0.000 1.329 526 S CA -0.711 57.521 58.200 0.053 0.000 1.036 526 S CB 1.260 64.388 63.200 -0.119 0.000 0.919 526 S HN 0.588 nan 8.310 nan 0.000 0.515 527 C N 1.554 120.940 119.300 0.143 0.000 3.239 527 C HA 0.859 5.319 4.460 0.000 0.000 0.317 527 C C -1.070 174.041 174.990 0.202 0.000 1.310 527 C CA 0.298 59.456 59.018 0.233 0.000 1.371 527 C CB 0.912 28.829 27.740 0.294 0.000 1.714 527 C HN 1.548 nan 8.230 nan 0.000 0.473 528 A N 3.035 126.002 122.820 0.246 0.000 3.044 528 A HA 0.585 4.905 4.320 0.000 0.000 0.289 528 A C 0.182 177.972 177.584 0.342 0.000 1.236 528 A CA 0.503 52.666 52.037 0.210 0.000 0.871 528 A CB -0.168 18.886 19.000 0.090 0.000 1.424 528 A HN 1.904 nan 8.150 nan 0.000 0.564 529 S N 0.368 116.312 115.700 0.408 0.000 3.550 529 S HA 0.057 4.527 4.470 0.000 0.000 0.372 529 S C 1.623 176.648 174.600 0.708 0.000 0.966 529 S CA 1.762 60.296 58.200 0.557 0.000 1.229 529 S CB -1.436 62.060 63.200 0.493 0.000 0.917 529 S HN 2.833 nan 8.310 nan 0.000 0.496 530 G N 1.008 110.150 108.800 0.570 0.000 2.527 530 G HA2 -0.085 3.875 3.960 0.000 0.000 0.262 530 G HA3 -0.085 3.875 3.960 0.000 0.000 0.262 530 G C 0.420 175.481 174.900 0.268 0.000 1.153 530 G CA -0.013 45.295 45.100 0.347 0.000 0.954 530 G HN 1.685 nan 8.290 nan 0.000 0.552 531 G N 1.178 110.086 108.800 0.180 0.000 3.639 531 G HA2 0.530 4.490 3.960 0.000 0.000 0.279 531 G HA3 0.530 4.490 3.960 0.000 0.000 0.279 531 G C 1.128 176.003 174.900 -0.042 0.000 1.312 531 G CA 1.130 46.310 45.100 0.133 0.000 1.355 531 G HN 1.627 nan 8.290 nan 0.000 0.595 532 G N 0.010 108.613 108.800 -0.328 0.000 2.623 532 G HA2 0.010 3.970 3.960 0.000 0.000 0.214 532 G HA3 0.010 3.970 3.960 0.000 0.000 0.214 532 G C 1.163 175.965 174.900 -0.163 0.000 1.138 532 G CA -0.232 44.404 45.100 -0.774 0.000 0.794 532 G HN 0.401 nan 8.290 nan 0.000 0.535 533 R N -0.438 120.033 120.500 -0.048 0.000 2.772 533 R HA 0.179 4.519 4.340 0.000 0.000 0.358 533 R C -0.969 175.296 176.300 -0.059 0.000 1.143 533 R CA -0.615 55.471 56.100 -0.024 0.000 1.153 533 R CB -0.051 30.226 30.300 -0.039 0.000 1.329 533 R HN 0.199 nan 8.270 nan 0.000 0.615 534 F N 2.765 122.609 119.950 -0.176 0.000 2.661 534 F HA 0.067 4.594 4.527 0.000 0.000 0.356 534 F C 0.101 175.655 175.800 -0.410 0.000 1.244 534 F CA -0.376 57.444 58.000 -0.300 0.000 1.290 534 F CB -0.238 38.570 39.000 -0.320 0.000 1.677 534 F HN 0.270 nan 8.300 nan 0.000 0.649 535 D N 0.316 120.542 120.400 -0.291 0.000 2.614 535 D HA 0.277 4.917 4.640 0.000 0.000 0.264 535 D C 0.556 176.754 176.300 -0.171 0.000 1.092 535 D CA -0.711 53.206 54.000 -0.139 0.000 1.071 535 D CB 0.762 41.537 40.800 -0.043 0.000 1.443 535 D HN 0.129 nan 8.370 nan 0.000 0.528 536 L N -0.057 121.138 121.223 -0.047 0.000 2.313 536 L HA 0.237 4.577 4.340 0.000 0.000 0.214 536 L C 1.607 178.383 176.870 -0.156 0.000 1.119 536 L CA 0.565 55.317 54.840 -0.146 0.000 0.809 536 L CB -0.647 41.295 42.059 -0.195 0.000 0.933 536 L HN 0.558 nan 8.230 nan 0.000 0.449 541 Y N 0.862 121.042 120.300 -0.199 0.000 2.351 541 Y HA 0.663 5.213 4.550 0.000 0.000 0.291 541 Y C 1.232 176.996 175.900 -0.226 0.000 1.153 541 Y CA 0.580 58.504 58.100 -0.294 0.000 1.193 541 Y CB -0.161 37.915 38.460 -0.640 0.000 1.187 541 Y HN 0.067 nan 8.280 nan 0.000 0.524 542 A N 1.211 123.936 122.820 -0.157 0.000 2.276 542 A HA 0.480 4.800 4.320 0.000 0.000 0.316 542 A C -2.113 175.410 177.584 -0.101 0.000 1.229 542 A CA -1.393 50.616 52.037 -0.048 0.000 0.851 542 A CB 0.311 19.288 19.000 -0.039 0.000 1.165 542 A HN 0.127 nan 8.150 nan 0.000 0.513 543 P HA 0.060 nan 4.420 nan 0.000 0.249 543 P C -0.281 176.974 177.300 -0.074 0.000 1.229 543 P CA 0.585 63.658 63.100 -0.045 0.000 0.788 543 P CB 0.151 31.884 31.700 0.054 0.000 1.072 544 Q N -1.244 118.498 119.800 -0.096 0.000 2.435 544 Q HA 0.768 5.108 4.340 0.000 0.000 0.282 544 Q C -1.796 174.138 176.000 -0.111 0.000 1.020 544 Q CA -1.261 54.487 55.803 -0.091 0.000 0.820 544 Q CB 2.028 30.773 28.738 0.012 0.000 1.436 544 Q HN -0.133 nan 8.270 nan 0.000 0.395 545 A N 1.477 124.205 122.820 -0.152 0.000 2.386 545 A HA 0.592 4.912 4.320 0.000 0.000 0.308 545 A C -1.777 175.947 177.584 0.234 0.000 1.128 545 A CA -0.828 51.166 52.037 -0.073 0.000 0.789 545 A CB 1.320 20.063 19.000 -0.428 0.000 1.325 545 A HN 0.833 nan 8.150 nan 0.000 0.437 546 W N 2.823 124.165 121.300 0.071 0.000 2.422 546 W HA 0.206 4.866 4.660 0.000 0.000 0.349 546 W C 0.063 176.671 176.519 0.148 0.000 1.062 546 W CA -0.022 57.371 57.345 0.080 0.000 1.497 546 W CB 0.740 30.249 29.460 0.081 0.000 1.407 546 W HN 0.863 nan 8.180 nan 0.000 0.393 547 T N 2.443 116.912 114.554 -0.142 0.000 2.649 547 T HA -0.247 4.103 4.350 0.000 0.000 0.268 547 T C 0.771 175.213 174.700 -0.429 0.000 1.036 547 T CA 1.927 63.879 62.100 -0.247 0.000 1.157 547 T CB -0.124 68.528 68.868 -0.360 0.000 0.861 547 T HN 0.385 nan 8.240 nan 0.000 0.445 548 S N -1.287 113.941 115.700 -0.787 0.000 2.565 548 S HA 0.254 4.724 4.470 0.000 0.000 0.274 548 S C -0.711 173.452 174.600 -0.728 0.000 1.144 548 S CA -0.749 57.109 58.200 -0.569 0.000 0.849 548 S CB 1.428 64.384 63.200 -0.407 0.000 1.103 548 S HN 0.020 nan 8.310 nan 0.000 0.455 549 D N 1.291 121.515 120.400 -0.293 0.000 2.310 549 D HA 0.014 4.654 4.640 0.000 0.000 0.212 549 D C 0.045 176.291 176.300 -0.089 0.000 0.965 549 D CA 0.847 54.885 54.000 0.064 0.000 0.879 549 D CB 0.011 41.008 40.800 0.329 0.000 0.921 549 D HN 0.551 nan 8.370 nan 0.000 0.510 550 D N 0.336 120.530 120.400 -0.342 0.000 2.338 550 D HA 0.009 4.649 4.640 0.000 0.000 0.255 550 D C 0.536 176.718 176.300 -0.197 0.000 1.237 550 D CA 0.271 54.110 54.000 -0.269 0.000 0.883 550 D CB 0.691 41.300 40.800 -0.318 0.000 1.087 550 D HN -0.014 nan 8.370 nan 0.000 0.485 551 T N 0.166 114.674 114.554 -0.077 0.000 3.228 551 T HA 0.125 4.475 4.350 0.000 0.000 0.278 551 T C 0.275 174.942 174.700 -0.055 0.000 1.014 551 T CA -0.800 61.277 62.100 -0.037 0.000 0.904 551 T CB 0.128 69.071 68.868 0.125 0.000 1.110 551 T HN 0.164 nan 8.240 nan 0.000 0.541 552 D N 1.187 121.531 120.400 -0.094 0.000 2.351 552 D HA 0.584 5.224 4.640 0.000 0.000 0.251 552 D C 1.435 177.642 176.300 -0.156 0.000 1.137 552 D CA 0.098 54.022 54.000 -0.128 0.000 0.879 552 D CB 1.297 42.008 40.800 -0.149 0.000 1.181 552 D HN 0.160 nan 8.370 nan 0.000 0.448 553 A N 4.309 127.027 122.820 -0.170 0.000 1.859 553 A HA -0.135 4.185 4.320 0.000 0.000 0.217 553 A C 2.155 179.617 177.584 -0.203 0.000 1.198 553 A CA 2.283 54.216 52.037 -0.172 0.000 0.629 553 A CB -1.214 17.695 19.000 -0.151 0.000 0.830 553 A HN 0.718 nan 8.150 nan 0.000 0.446 554 A N -0.731 121.936 122.820 -0.255 0.000 1.908 554 A HA -0.188 4.132 4.320 0.000 0.000 0.218 554 A C 1.959 179.440 177.584 -0.172 0.000 1.181 554 A CA 1.849 53.758 52.037 -0.214 0.000 0.627 554 A CB -0.494 18.336 19.000 -0.283 0.000 0.818 554 A HN 0.524 nan 8.150 nan 0.000 0.445 555 E N -0.209 119.896 120.200 -0.158 0.000 2.077 555 E HA -0.150 4.200 4.350 0.000 0.000 0.193 555 E C 2.126 178.678 176.600 -0.080 0.000 0.989 555 E CA 0.743 57.085 56.400 -0.096 0.000 0.800 555 E CB -0.373 29.272 29.700 -0.092 0.000 0.746 555 E HN 0.420 nan 8.360 nan 0.000 0.452 556 R N 0.512 120.948 120.500 -0.107 0.000 2.193 556 R HA -0.083 4.257 4.340 0.000 0.000 0.229 556 R C 2.258 178.549 176.300 -0.014 0.000 1.110 556 R CA 0.252 56.306 56.100 -0.078 0.000 0.988 556 R CB -0.665 29.573 30.300 -0.104 0.000 0.871 556 R HN 0.152 nan 8.270 nan 0.000 0.458 557 L N 0.564 121.725 121.223 -0.104 0.000 1.971 557 L HA -0.188 4.152 4.340 0.000 0.000 0.215 557 L C 2.141 178.990 176.870 -0.035 0.000 1.072 557 L CA 1.644 56.385 54.840 -0.164 0.000 0.758 557 L CB -1.010 40.840 42.059 -0.349 0.000 0.889 557 L HN 0.062 nan 8.230 nan 0.000 0.433 558 L N -1.167 119.985 121.223 -0.118 0.000 2.046 558 L HA -0.177 4.163 4.340 0.000 0.000 0.208 558 L C 2.429 179.457 176.870 0.263 0.000 1.077 558 L CA 1.593 56.370 54.840 -0.106 0.000 0.747 558 L CB -0.779 41.053 42.059 -0.378 0.000 0.896 558 L HN 0.175 nan 8.230 nan 0.000 0.432 559 I N -1.256 119.433 120.570 0.197 0.000 2.202 559 I HA -0.306 3.864 4.170 0.000 0.000 0.242 559 I C 2.542 178.760 176.117 0.168 0.000 1.091 559 I CA 1.092 62.515 61.300 0.205 0.000 1.368 559 I CB -0.255 37.771 38.000 0.044 0.000 1.058 559 I HN 0.335 nan 8.210 nan 0.000 0.410 560 Q N -0.205 119.692 119.800 0.163 0.000 2.124 560 Q HA -0.227 4.113 4.340 0.000 0.000 0.202 560 Q C 2.186 178.370 176.000 0.307 0.000 0.977 560 Q CA 1.761 57.648 55.803 0.141 0.000 0.850 560 Q CB -0.204 28.631 28.738 0.161 0.000 0.901 560 Q HN 0.420 nan 8.270 nan 0.000 0.429 561 F N 0.554 120.770 119.950 0.443 0.000 2.102 561 F HA -0.115 4.412 4.527 0.000 0.000 0.298 561 F C 2.097 178.247 175.800 0.585 0.000 1.105 561 F CA 1.797 60.154 58.000 0.594 0.000 1.239 561 F CB -0.534 38.749 39.000 0.471 0.000 0.991 561 F HN 0.042 nan 8.300 nan 0.000 0.474 562 G N -1.444 107.898 108.800 0.904 0.000 2.408 562 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 562 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 562 G C 1.644 176.745 174.900 0.336 0.000 1.150 562 G CA 1.230 46.819 45.100 0.816 0.000 0.776 562 G HN 0.364 nan 8.290 nan 0.000 0.542 563 T N 1.496 116.138 114.554 0.147 0.000 2.746 563 T HA -0.171 4.179 4.350 0.000 0.000 0.267 563 T C 2.806 177.471 174.700 -0.058 0.000 1.039 563 T CA 1.886 63.944 62.100 -0.069 0.000 1.142 563 T CB -0.364 68.353 68.868 -0.252 0.000 0.866 563 T HN 0.536 nan 8.240 nan 0.000 0.444 564 S N 0.385 116.033 115.700 -0.087 0.000 2.500 564 S HA -0.109 4.361 4.470 0.000 0.000 0.239 564 S C 1.667 176.131 174.600 -0.226 0.000 0.989 564 S CA 0.621 58.675 58.200 -0.243 0.000 0.951 564 S CB -0.790 62.160 63.200 -0.417 0.000 0.759 564 S HN 0.568 nan 8.310 nan 0.000 0.523 565 Y N 1.934 122.144 120.300 -0.150 0.000 2.200 565 Y HA 0.138 4.688 4.550 0.000 0.000 0.290 565 Y C 2.783 178.396 175.900 -0.479 0.000 1.137 565 Y CA 1.289 59.363 58.100 -0.043 0.000 1.163 565 Y CB -0.670 38.007 38.460 0.362 0.000 0.988 565 Y HN 0.480 nan 8.280 nan 0.000 0.518 566 G N -2.688 105.646 108.800 -0.777 0.000 2.719 566 G HA2 0.037 3.997 3.960 0.000 0.000 0.211 566 G HA3 0.037 3.997 3.960 0.000 0.000 0.211 566 G C -0.631 173.557 174.900 -1.187 0.000 1.140 566 G CA 0.127 44.161 45.100 -1.776 0.000 0.790 566 G HN 0.229 nan 8.290 nan 0.000 0.529 567 Y N 0.382 120.522 120.300 -0.266 0.000 2.386 567 Y HA 0.440 4.990 4.550 0.000 0.000 0.334 567 Y C -2.394 173.431 175.900 -0.125 0.000 1.002 567 Y CA -2.583 55.464 58.100 -0.087 0.000 1.068 567 Y CB 2.009 40.525 38.460 0.092 0.000 1.203 567 Y HN -0.115 nan 8.280 nan 0.000 0.443 568 P HA -0.016 nan 4.420 nan 0.000 0.271 568 P C 0.553 177.777 177.300 -0.127 0.000 1.233 568 P CA -0.358 62.693 63.100 -0.080 0.000 0.789 568 P CB 0.884 32.588 31.700 0.006 0.000 0.951 569 Q N 0.648 120.291 119.800 -0.261 0.000 2.291 569 Q HA -0.078 4.262 4.340 0.000 0.000 0.206 569 Q C 0.703 176.619 176.000 -0.140 0.000 0.976 569 Q CA 1.055 56.707 55.803 -0.251 0.000 0.875 569 Q CB -1.111 27.438 28.738 -0.315 0.000 0.927 569 Q HN 0.450 nan 8.270 nan 0.000 0.450 574 A N 1.575 124.507 122.820 0.188 0.000 2.491 574 A HA 0.841 5.161 4.320 0.000 0.000 0.293 574 A C -1.181 176.571 177.584 0.280 0.000 1.047 574 A CA -0.615 51.457 52.037 0.058 0.000 0.735 574 A CB 0.861 19.857 19.000 -0.007 0.000 1.281 574 A HN 0.938 nan 8.150 nan 0.000 0.398 575 H N 0.783 119.963 119.070 0.183 0.000 2.679 575 H HA 0.478 5.034 4.556 0.000 0.000 0.360 575 H C -0.598 174.667 175.328 -0.105 0.000 1.105 575 H CA -1.197 54.866 56.048 0.024 0.000 1.196 575 H CB 2.182 32.044 29.762 0.166 0.000 1.636 575 H HN 0.457 nan 8.280 nan 0.000 0.531 576 V N 3.355 123.132 119.914 -0.230 0.000 2.585 576 V HA 0.072 4.192 4.120 0.000 0.000 0.296 576 V C 0.430 176.497 176.094 -0.045 0.000 1.035 576 V CA 0.350 62.523 62.300 -0.211 0.000 1.084 576 V CB 0.661 32.241 31.823 -0.406 0.000 0.953 576 V HN 0.895 nan 8.190 nan 0.000 0.483 577 S N 3.869 119.572 115.700 0.005 0.000 2.740 577 S HA 0.912 5.382 4.470 0.000 0.000 0.300 577 S C -0.187 174.427 174.600 0.023 0.000 1.147 577 S CA -0.347 57.875 58.200 0.036 0.000 0.871 577 S CB 1.740 64.981 63.200 0.070 0.000 1.173 577 S HN 1.145 nan 8.310 nan 0.000 0.510 578 A N -0.103 122.728 122.820 0.018 0.000 2.327 578 A HA 0.702 5.022 4.320 0.000 0.000 0.255 578 A C -0.370 177.220 177.584 0.011 0.000 1.099 578 A CA -0.556 51.490 52.037 0.014 0.000 0.801 578 A CB 0.051 19.056 19.000 0.007 0.000 1.062 578 A HN 1.187 nan 8.150 nan 0.000 0.496 579 V N 1.359 121.280 119.914 0.012 0.000 2.851 579 V HA 0.408 4.528 4.120 0.000 0.000 0.307 579 V C -2.358 173.744 176.094 0.015 0.000 1.129 579 V CA -1.143 61.161 62.300 0.006 0.000 0.932 579 V CB 1.954 33.778 31.823 0.001 0.000 1.024 579 V HN 0.953 nan 8.190 nan 0.000 0.426 580 P HA 0.096 nan 4.420 nan 0.000 0.265 580 P C -0.205 177.103 177.300 0.012 0.000 1.193 580 P CA 0.051 63.157 63.100 0.010 0.000 0.765 580 P CB 0.234 31.945 31.700 0.018 0.000 0.823 581 N N 2.585 121.282 118.700 -0.004 0.000 2.412 581 N HA -0.092 4.648 4.740 0.000 0.000 0.258 581 N C 0.235 175.767 175.510 0.038 0.000 1.236 581 N CA 0.111 53.164 53.050 0.006 0.000 0.882 581 N CB 0.537 39.005 38.487 -0.031 0.000 1.066 581 N HN 0.248 nan 8.380 nan 0.000 0.465 582 D N 2.031 122.475 120.400 0.074 0.000 2.264 582 D HA -0.073 4.567 4.640 0.000 0.000 0.208 582 D C 0.291 176.667 176.300 0.127 0.000 0.966 582 D CA 1.172 55.238 54.000 0.110 0.000 0.864 582 D CB 0.321 41.229 40.800 0.180 0.000 0.933 582 D HN 0.614 nan 8.370 nan 0.000 0.499 586 R N 1.015 121.480 120.500 -0.058 0.000 2.570 586 R HA 0.471 4.812 4.340 0.000 0.000 0.277 586 R C -0.446 175.795 176.300 -0.099 0.000 1.039 586 R CA 0.095 56.124 56.100 -0.119 0.000 1.065 586 R CB 0.183 30.315 30.300 -0.281 0.000 0.964 586 R HN 0.132 nan 8.270 nan 0.000 0.428 587 I N 3.117 123.658 120.570 -0.048 0.000 2.377 587 I HA 0.281 4.451 4.170 0.000 0.000 0.293 587 I C 0.086 176.212 176.117 0.015 0.000 0.987 587 I CA -0.363 60.936 61.300 -0.003 0.000 1.185 587 I CB 2.108 40.139 38.000 0.051 0.000 1.341 587 I HN 0.627 nan 8.210 nan 0.000 0.455 588 T N 3.487 118.041 114.554 0.001 0.000 2.894 588 T HA 0.335 4.685 4.350 0.000 0.000 0.309 588 T C -0.555 174.172 174.700 0.045 0.000 1.208 588 T CA -0.575 61.538 62.100 0.020 0.000 1.016 588 T CB 1.455 70.251 68.868 -0.120 0.000 1.192 588 T HN 0.689 nan 8.240 nan 0.000 0.491 589 S N 2.887 118.631 115.700 0.072 0.000 2.565 589 S HA 0.238 4.708 4.470 0.000 0.000 0.276 589 S C 1.473 176.077 174.600 0.007 0.000 1.326 589 S CA -0.647 57.578 58.200 0.042 0.000 1.045 589 S CB 0.776 64.000 63.200 0.040 0.000 0.918 589 S HN 0.688 nan 8.310 nan 0.000 0.505 590 L N 2.450 123.679 121.223 0.009 0.000 2.127 590 L HA -0.077 4.263 4.340 0.000 0.000 0.211 590 L C 2.410 179.267 176.870 -0.021 0.000 1.089 590 L CA 2.012 56.855 54.840 0.005 0.000 0.757 590 L CB -0.717 41.361 42.059 0.031 0.000 0.899 590 L HN 0.971 nan 8.230 nan 0.000 0.434 591 K N -1.254 119.129 120.400 -0.029 0.000 2.026 591 K HA -0.179 4.141 4.320 0.000 0.000 0.208 591 K C 1.899 178.445 176.600 -0.091 0.000 1.048 591 K CA 2.006 58.256 56.287 -0.061 0.000 0.929 591 K CB -0.304 32.147 32.500 -0.082 0.000 0.713 591 K HN 0.407 nan 8.250 nan 0.000 0.439 592 T N 1.183 115.699 114.554 -0.063 0.000 2.674 592 T HA -0.116 4.234 4.350 0.000 0.000 0.265 592 T C 1.818 176.479 174.700 -0.065 0.000 1.039 592 T CA 1.465 63.552 62.100 -0.022 0.000 1.150 592 T CB -0.205 68.682 68.868 0.031 0.000 0.864 592 T HN 0.339 nan 8.240 nan 0.000 0.427 593 R N 0.515 120.963 120.500 -0.087 0.000 2.113 593 R HA -0.115 4.225 4.340 0.000 0.000 0.244 593 R C 2.819 178.986 176.300 -0.221 0.000 1.142 593 R CA 1.594 57.619 56.100 -0.125 0.000 0.953 593 R CB -0.968 29.275 30.300 -0.094 0.000 0.860 593 R HN 0.468 nan 8.270 nan 0.000 0.438 594 G N 0.818 109.439 108.800 -0.298 0.000 2.421 594 G HA2 -0.233 3.727 3.960 0.000 0.000 0.216 594 G HA3 -0.233 3.727 3.960 0.000 0.000 0.216 594 G C 1.606 175.847 174.900 -1.099 0.000 1.171 594 G CA 0.772 45.492 45.100 -0.632 0.000 0.775 594 G HN 0.428 nan 8.290 nan 0.000 0.543 595 A N 0.021 122.456 122.820 -0.642 0.000 1.933 595 A HA 0.091 4.411 4.320 0.000 0.000 0.218 595 A C 2.590 180.334 177.584 0.266 0.000 1.175 595 A CA 1.825 53.733 52.037 -0.215 0.000 0.628 595 A CB -0.498 18.595 19.000 0.155 0.000 0.814 595 A HN 0.261 nan 8.150 nan 0.000 0.444 596 V N -0.366 119.623 119.914 0.124 0.000 2.323 596 V HA -0.181 3.939 4.120 0.000 0.000 0.244 596 V C 2.992 179.199 176.094 0.189 0.000 1.041 596 V CA 1.813 64.225 62.300 0.187 0.000 1.025 596 V CB -1.130 30.659 31.823 -0.058 0.000 0.656 596 V HN 0.583 nan 8.190 nan 0.000 0.451 597 A N -0.537 122.252 122.820 -0.051 0.000 2.067 597 A HA -0.124 4.196 4.320 0.000 0.000 0.219 597 A C 1.969 179.536 177.584 -0.028 0.000 1.158 597 A CA 1.198 53.188 52.037 -0.078 0.000 0.661 597 A CB -0.616 18.267 19.000 -0.194 0.000 0.801 597 A HN 0.440 nan 8.150 nan 0.000 0.452 598 F N -0.553 119.325 119.950 -0.120 0.000 2.126 598 F HA -0.069 4.458 4.527 0.000 0.000 0.299 598 F C 0.767 176.308 175.800 -0.432 0.000 1.096 598 F CA 0.193 57.901 58.000 -0.487 0.000 1.255 598 F CB -1.186 37.297 39.000 -0.861 0.000 0.997 598 F HN 0.207 nan 8.300 nan 0.000 0.479 599 F N 0.692 120.718 119.950 0.127 0.000 2.662 599 F HA 0.458 4.985 4.527 0.000 0.000 0.365 599 F C 0.950 176.704 175.800 -0.076 0.000 1.222 599 F CA 0.375 58.417 58.000 0.071 0.000 1.315 599 F CB -0.544 38.354 39.000 -0.170 0.000 1.711 599 F HN 0.039 nan 8.300 nan 0.000 0.651 600 G N 0.077 108.932 108.800 0.091 0.000 2.512 600 G HA2 0.035 3.995 3.960 0.000 0.000 0.181 600 G HA3 0.035 3.995 3.960 0.000 0.000 0.181 600 G C -1.745 173.215 174.900 0.100 0.000 1.173 600 G CA -0.852 44.267 45.100 0.031 0.000 0.988 600 G HN -0.043 nan 8.290 nan 0.000 0.485 601 D N 1.616 122.067 120.400 0.086 0.000 2.485 601 D HA 0.434 5.074 4.640 0.000 0.000 0.221 601 D C 0.226 176.565 176.300 0.064 0.000 1.112 601 D CA -0.314 53.762 54.000 0.126 0.000 0.911 601 D CB 1.438 42.317 40.800 0.131 0.000 1.019 601 D HN 0.313 nan 8.370 nan 0.000 0.516 602 L N 2.101 123.218 121.223 -0.176 0.000 2.615 602 L HA 0.282 4.622 4.340 0.000 0.000 0.284 602 L C 0.676 177.444 176.870 -0.170 0.000 1.237 602 L CA 0.922 55.521 54.840 -0.401 0.000 0.905 602 L CB 0.110 41.459 42.059 -1.183 0.000 1.149 602 L HN 0.434 nan 8.230 nan 0.000 0.499 603 G N 3.383 112.066 108.800 -0.196 0.000 2.660 603 G HA2 0.501 4.462 3.960 0.000 0.000 0.290 603 G HA3 0.501 4.462 3.960 0.000 0.000 0.290 603 G C -2.121 172.419 174.900 -0.599 0.000 1.432 603 G CA -0.517 44.360 45.100 -0.371 0.000 0.807 603 G HN 0.401 nan 8.290 nan 0.000 0.485 604 Y N -0.502 119.545 120.300 -0.422 0.000 2.446 604 Y HA 0.645 5.195 4.550 0.000 0.000 0.345 604 Y C 0.266 175.990 175.900 -0.293 0.000 0.984 604 Y CA -0.610 57.343 58.100 -0.244 0.000 1.058 604 Y CB 3.038 41.401 38.460 -0.162 0.000 1.220 604 Y HN 0.501 nan 8.280 nan 0.000 0.455 605 E N 5.121 125.302 120.200 -0.031 0.000 3.626 605 E HA 0.389 4.739 4.350 0.000 0.000 0.245 605 E C -1.828 174.751 176.600 -0.034 0.000 1.236 605 E CA -0.139 56.231 56.400 -0.050 0.000 1.072 605 E CB 0.537 30.272 29.700 0.057 0.000 1.309 605 E HN 0.625 nan 8.360 nan 0.000 0.400 606 L N -1.648 119.553 121.223 -0.037 0.000 2.710 606 L HA 0.609 4.949 4.340 0.000 0.000 0.260 606 L C -0.822 176.023 176.870 -0.042 0.000 0.993 606 L CA -1.177 53.638 54.840 -0.042 0.000 0.877 606 L CB 1.635 43.699 42.059 0.008 0.000 1.461 606 L HN -0.097 nan 8.230 nan 0.000 0.413 607 D N 2.295 122.668 120.400 -0.045 0.000 2.482 607 D HA 0.173 4.813 4.640 0.000 0.000 0.244 607 D C 1.567 177.862 176.300 -0.008 0.000 1.242 607 D CA 0.013 53.997 54.000 -0.026 0.000 1.097 607 D CB 0.324 41.110 40.800 -0.022 0.000 1.109 607 D HN 0.622 nan 8.370 nan 0.000 0.510 608 I N 0.227 120.792 120.570 -0.008 0.000 2.850 608 I HA -0.185 3.985 4.170 0.000 0.000 0.266 608 I C 1.622 177.734 176.117 -0.007 0.000 1.257 608 I CA 1.006 62.298 61.300 -0.013 0.000 1.465 608 I CB -0.680 37.296 38.000 -0.041 0.000 1.091 608 I HN 0.142 nan 8.210 nan 0.000 0.467 609 T N -2.037 112.518 114.554 0.002 0.000 3.088 609 T HA 0.147 4.497 4.350 0.000 0.000 0.259 609 T C 0.886 175.590 174.700 0.006 0.000 1.122 609 T CA 0.117 62.221 62.100 0.006 0.000 1.095 609 T CB -0.081 68.796 68.868 0.015 0.000 0.930 609 T HN 0.417 nan 8.240 nan 0.000 0.508 613 P HA -0.156 nan 4.420 nan 0.000 0.216 613 P C 1.610 178.915 177.300 0.008 0.000 1.150 613 P CA 2.833 65.936 63.100 0.006 0.000 0.843 613 P CB -0.024 31.680 31.700 0.007 0.000 0.787 614 T N -3.410 111.151 114.554 0.011 0.000 2.942 614 T HA -0.028 4.322 4.350 0.000 0.000 0.265 614 T C 1.621 176.331 174.700 0.016 0.000 1.062 614 T CA 0.727 62.835 62.100 0.014 0.000 1.139 614 T CB -0.728 68.150 68.868 0.016 0.000 0.883 614 T HN 0.213 nan 8.240 nan 0.000 0.468 615 E N 1.228 121.437 120.200 0.015 0.000 2.028 615 E HA -0.023 4.327 4.350 0.000 0.000 0.191 615 E C 2.074 178.679 176.600 0.009 0.000 0.988 615 E CA 0.722 57.132 56.400 0.017 0.000 0.799 615 E CB -0.374 29.336 29.700 0.018 0.000 0.755 615 E HN 0.176 nan 8.360 nan 0.000 0.447 616 L N 1.834 123.056 121.223 -0.001 0.000 2.021 616 L HA -0.267 4.073 4.340 0.000 0.000 0.215 616 L C 2.051 178.914 176.870 -0.012 0.000 1.074 616 L CA 2.093 56.923 54.840 -0.016 0.000 0.760 616 L CB -0.775 41.276 42.059 -0.014 0.000 0.889 616 L HN 0.132 nan 8.230 nan 0.000 0.433 617 D N -1.915 118.487 120.400 0.003 0.000 2.117 617 D HA -0.222 4.418 4.640 0.000 0.000 0.198 617 D C 2.212 178.527 176.300 0.025 0.000 0.982 617 D CA 1.004 55.011 54.000 0.012 0.000 0.828 617 D CB 0.040 40.850 40.800 0.016 0.000 0.967 617 D HN 0.382 nan 8.370 nan 0.000 0.464 618 Q N -0.437 119.380 119.800 0.030 0.000 2.096 618 Q HA -0.142 4.198 4.340 0.000 0.000 0.204 618 Q C 2.174 178.218 176.000 0.072 0.000 0.982 618 Q CA 1.322 57.156 55.803 0.050 0.000 0.850 618 Q CB 0.102 28.868 28.738 0.047 0.000 0.901 618 Q HN 0.245 nan 8.270 nan 0.000 0.422 619 V N 0.865 120.802 119.914 0.037 0.000 2.427 619 V HA -0.255 3.865 4.120 0.000 0.000 0.248 619 V C 2.244 178.331 176.094 -0.011 0.000 1.051 619 V CA 1.884 64.184 62.300 0.000 0.000 1.048 619 V CB -0.548 31.178 31.823 -0.163 0.000 0.666 619 V HN 0.340 nan 8.190 nan 0.000 0.456 620 K N 0.606 121.000 120.400 -0.010 0.000 2.009 620 K HA -0.230 4.090 4.320 0.000 0.000 0.210 620 K C 2.212 178.853 176.600 0.068 0.000 1.049 620 K CA 1.685 57.977 56.287 0.008 0.000 0.929 620 K CB -0.091 32.413 32.500 0.008 0.000 0.714 620 K HN 0.435 nan 8.250 nan 0.000 0.440 621 K N 0.311 120.767 120.400 0.092 0.000 2.155 621 K HA -0.144 4.177 4.320 0.000 0.000 0.203 621 K C 2.238 178.977 176.600 0.231 0.000 1.052 621 K CA 1.114 57.483 56.287 0.137 0.000 0.948 621 K CB -0.166 32.397 32.500 0.106 0.000 0.728 621 K HN 0.338 nan 8.250 nan 0.000 0.448 622 Q N 0.929 120.888 119.800 0.266 0.000 2.061 622 Q HA -0.137 4.203 4.340 0.000 0.000 0.204 622 Q C 2.229 178.489 176.000 0.434 0.000 0.984 622 Q CA 1.509 57.592 55.803 0.466 0.000 0.846 622 Q CB -0.088 28.951 28.738 0.502 0.000 0.902 622 Q HN 0.092 nan 8.270 nan 0.000 0.421 623 V N 0.284 120.371 119.914 0.288 0.000 2.453 623 V HA -0.216 3.904 4.120 0.000 0.000 0.247 623 V C 2.124 178.337 176.094 0.199 0.000 1.048 623 V CA 1.625 64.066 62.300 0.235 0.000 1.049 623 V CB -0.729 31.160 31.823 0.109 0.000 0.672 623 V HN 0.392 nan 8.190 nan 0.000 0.457 624 A N -0.391 122.532 122.820 0.171 0.000 1.930 624 A HA -0.203 4.117 4.320 0.000 0.000 0.217 624 A C 2.084 179.761 177.584 0.155 0.000 1.175 624 A CA 1.771 53.888 52.037 0.132 0.000 0.627 624 A CB -0.640 18.426 19.000 0.111 0.000 0.815 624 A HN 0.541 nan 8.150 nan 0.000 0.443 625 F N -0.772 119.228 119.950 0.082 0.000 2.146 625 F HA -0.165 4.362 4.527 0.000 0.000 0.298 625 F C 2.052 177.906 175.800 0.090 0.000 1.096 625 F CA 1.699 59.758 58.000 0.097 0.000 1.275 625 F CB -0.600 38.454 39.000 0.091 0.000 1.008 625 F HN 0.360 nan 8.300 nan 0.000 0.480 626 Y N 1.381 121.487 120.300 -0.322 0.000 2.163 626 Y HA -0.141 4.409 4.550 0.000 0.000 0.288 626 Y C 2.353 178.146 175.900 -0.177 0.000 1.136 626 Y CA 2.149 59.976 58.100 -0.455 0.000 1.147 626 Y CB -0.488 37.732 38.460 -0.400 0.000 0.987 626 Y HN -0.003 nan 8.280 nan 0.000 0.509 627 K N -0.808 119.570 120.400 -0.036 0.000 2.103 627 K HA -0.239 4.081 4.320 0.000 0.000 0.207 627 K C 2.372 178.855 176.600 -0.195 0.000 1.048 627 K CA 1.343 57.577 56.287 -0.089 0.000 0.930 627 K CB -0.781 31.724 32.500 0.009 0.000 0.716 627 K HN 0.448 nan 8.250 nan 0.000 0.444 628 C N 0.253 119.408 119.300 -0.243 0.000 2.422 628 C HA -0.124 4.336 4.460 0.000 0.000 0.279 628 C C 1.398 175.990 174.990 -0.663 0.000 1.305 628 C CA 0.593 59.352 59.018 -0.433 0.000 1.757 628 C CB -0.631 26.833 27.740 -0.460 0.000 1.962 628 C HN 0.424 nan 8.230 nan 0.000 0.499 629 Y N -0.364 119.728 120.300 -0.347 0.000 2.706 629 Y HA 0.334 4.884 4.550 0.000 0.000 0.255 629 Y C 1.902 177.569 175.900 -0.388 0.000 1.163 629 Y CA -0.171 57.688 58.100 -0.402 0.000 1.174 629 Y CB -0.638 37.447 38.460 -0.624 0.000 1.200 629 Y HN 0.231 nan 8.280 nan 0.000 0.544 630 R N 0.584 120.906 120.500 -0.296 0.000 2.120 630 R HA -0.235 4.105 4.340 0.000 0.000 0.234 630 R C 1.907 178.107 176.300 -0.168 0.000 1.123 630 R CA 1.877 57.719 56.100 -0.431 0.000 0.975 630 R CB 0.156 30.237 30.300 -0.365 0.000 0.866 630 R HN 0.339 nan 8.270 nan 0.000 0.446 631 Q N 0.688 120.457 119.800 -0.051 0.000 2.124 631 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 631 Q C 1.868 177.926 176.000 0.095 0.000 0.977 631 Q CA 1.460 57.328 55.803 0.108 0.000 0.850 631 Q CB -0.191 28.590 28.738 0.071 0.000 0.901 631 Q HN 0.406 nan 8.270 nan 0.000 0.429 632 L N -1.024 120.172 121.223 -0.044 0.000 2.127 632 L HA 0.106 4.446 4.340 0.000 0.000 0.203 632 L C 1.647 178.416 176.870 -0.169 0.000 1.080 632 L CA 1.296 56.075 54.840 -0.102 0.000 0.768 632 L CB -0.577 41.372 42.059 -0.183 0.000 0.924 632 L HN 0.170 nan 8.230 nan 0.000 0.444 633 F N 0.554 120.380 119.950 -0.207 0.000 2.065 633 F HA -0.262 4.265 4.527 0.000 0.000 0.298 633 F C 2.660 178.332 175.800 -0.214 0.000 1.112 633 F CA 2.090 59.930 58.000 -0.266 0.000 1.212 633 F CB -0.915 37.846 39.000 -0.398 0.000 0.975 633 F HN 0.202 nan 8.300 nan 0.000 0.476 634 Q N -2.023 117.699 119.800 -0.130 0.000 2.230 634 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 634 Q C 1.087 176.649 176.000 -0.729 0.000 0.963 634 Q CA 1.190 56.695 55.803 -0.496 0.000 0.866 634 Q CB -0.050 28.220 28.738 -0.781 0.000 0.931 634 Q HN 0.412 nan 8.270 nan 0.000 0.452 635 F N -1.422 118.554 119.950 0.043 0.000 2.856 635 F HA 0.293 4.820 4.527 0.000 0.000 0.338 635 F C 1.107 176.936 175.800 0.048 0.000 1.100 635 F CA -0.531 57.489 58.000 0.034 0.000 1.150 635 F CB 0.188 39.203 39.000 0.025 0.000 1.101 635 F HN -0.134 nan 8.300 nan 0.000 0.548 636 G N 1.329 110.234 108.800 0.175 0.000 2.630 636 G HA2 0.043 4.003 3.960 0.000 0.000 0.236 636 G HA3 0.043 4.003 3.960 0.000 0.000 0.236 636 G C -0.158 174.853 174.900 0.185 0.000 1.248 636 G CA -0.468 44.725 45.100 0.156 0.000 0.844 636 G HN 0.155 nan 8.290 nan 0.000 0.588 637 K N 0.426 120.934 120.400 0.179 0.000 2.349 637 K HA 0.221 4.541 4.320 0.000 0.000 0.288 637 K C -0.983 175.740 176.600 0.205 0.000 1.058 637 K CA -0.467 55.905 56.287 0.142 0.000 0.953 637 K CB 0.245 32.813 32.500 0.114 0.000 0.997 637 K HN 0.267 nan 8.250 nan 0.000 0.477 638 F N 5.358 125.285 119.950 -0.038 0.000 2.410 638 F HA 0.308 4.835 4.527 0.000 0.000 0.349 638 F C -1.392 174.362 175.800 -0.077 0.000 1.117 638 F CA -0.401 57.609 58.000 0.017 0.000 1.104 638 F CB 0.629 39.600 39.000 -0.047 0.000 1.122 638 F HN 0.472 nan 8.300 nan 0.000 0.483 639 Y N 5.203 125.150 120.300 -0.588 0.000 2.350 639 Y HA 0.489 5.039 4.550 0.000 0.000 0.338 639 Y C 0.006 175.574 175.900 -0.554 0.000 0.961 639 Y CA -1.049 56.820 58.100 -0.386 0.000 1.100 639 Y CB 1.409 39.767 38.460 -0.171 0.000 1.179 639 Y HN 0.421 nan 8.280 nan 0.000 0.454 640 R N 3.331 123.703 120.500 -0.214 0.000 2.441 640 R HA 0.448 4.788 4.340 0.000 0.000 0.284 640 R C -0.065 176.292 176.300 0.095 0.000 1.070 640 R CA 0.211 56.258 56.100 -0.088 0.000 1.047 640 R CB 0.800 30.965 30.300 -0.226 0.000 1.016 640 R HN 0.757 nan 8.270 nan 0.000 0.477 641 I N -0.228 120.457 120.570 0.192 0.000 4.786 641 I HA 0.099 4.269 4.170 0.000 0.000 0.248 641 I C -0.195 176.009 176.117 0.144 0.000 0.841 641 I CA -0.540 60.821 61.300 0.100 0.000 2.395 641 I CB 0.068 38.045 38.000 -0.039 0.000 1.493 641 I HN 0.390 nan 8.210 nan 0.000 0.494 642 D N 3.092 123.544 120.400 0.088 0.000 2.358 642 D HA 0.115 4.755 4.640 0.000 0.000 0.258 642 D C -0.243 176.052 176.300 -0.008 0.000 1.223 642 D CA 0.427 54.447 54.000 0.033 0.000 0.886 642 D CB 1.082 41.876 40.800 -0.010 0.000 1.120 642 D HN 0.052 nan 8.370 nan 0.000 0.482 643 S N 3.143 118.827 115.700 -0.027 0.000 2.525 643 S HA 0.344 4.814 4.470 0.000 0.000 0.278 643 S C -1.781 172.528 174.600 -0.485 0.000 1.234 643 S CA -1.472 56.540 58.200 -0.314 0.000 1.058 643 S CB 1.439 64.738 63.200 0.166 0.000 0.983 643 S HN 0.173 nan 8.310 nan 0.000 0.495 644 P HA 0.167 nan 4.420 nan 0.000 0.249 644 P C 0.185 177.063 177.300 -0.703 0.000 1.229 644 P CA 0.331 62.965 63.100 -0.777 0.000 0.788 644 P CB -0.123 30.964 31.700 -1.022 0.000 1.072 645 F N -0.922 118.883 119.950 -0.242 0.000 2.695 645 F HA 0.152 4.679 4.527 0.000 0.000 0.303 645 F C 0.981 176.717 175.800 -0.107 0.000 1.091 645 F CA -0.119 57.788 58.000 -0.154 0.000 1.300 645 F CB 0.107 39.054 39.000 -0.088 0.000 1.071 645 F HN -0.336 nan 8.300 nan 0.000 0.578 646 V N 0.377 120.304 119.914 0.021 0.000 2.448 646 V HA 0.643 4.763 4.120 0.000 0.000 0.295 646 V C 0.474 176.548 176.094 -0.033 0.000 1.025 646 V CA -0.229 62.077 62.300 0.010 0.000 0.859 646 V CB 0.541 32.383 31.823 0.031 0.000 0.988 646 V HN 0.365 nan 8.190 nan 0.000 0.431 647 E N 3.541 123.725 120.200 -0.026 0.000 3.365 647 E HA -0.364 3.986 4.350 0.000 0.000 0.286 647 E C 0.950 177.522 176.600 -0.047 0.000 1.466 647 E CA 1.698 58.078 56.400 -0.033 0.000 1.995 647 E CB -1.603 28.079 29.700 -0.031 0.000 1.981 647 E HN 1.243 nan 8.360 nan 0.000 0.495 648 D N 0.171 120.541 120.400 -0.049 0.000 2.348 648 D HA 0.321 4.961 4.640 0.000 0.000 0.216 648 D C 1.644 177.897 176.300 -0.078 0.000 0.970 648 D CA 1.956 55.927 54.000 -0.049 0.000 0.889 648 D CB -0.588 40.193 40.800 -0.033 0.000 0.912 648 D HN 2.141 nan 8.370 nan 0.000 0.524 649 G N 1.009 109.738 108.800 -0.118 0.000 2.321 649 G HA2 -0.437 3.523 3.960 0.000 0.000 0.287 649 G HA3 -0.437 3.523 3.960 0.000 0.000 0.287 649 G C 0.761 175.562 174.900 -0.164 0.000 1.018 649 G CA 0.624 45.604 45.100 -0.199 0.000 0.855 649 G HN 0.571 nan 8.290 nan 0.000 0.507 650 N N -1.346 117.297 118.700 -0.096 0.000 2.376 650 N HA 0.060 4.801 4.740 0.000 0.000 0.177 650 N C 0.422 175.888 175.510 -0.074 0.000 1.024 650 N CA 0.902 53.916 53.050 -0.060 0.000 0.893 650 N CB 0.159 38.651 38.487 0.008 0.000 0.980 650 N HN 0.277 nan 8.380 nan 0.000 0.439 651 V N 1.026 120.887 119.914 -0.088 0.000 2.495 651 V HA 0.347 4.467 4.120 0.000 0.000 0.298 651 V C -0.451 175.559 176.094 -0.140 0.000 1.031 651 V CA -0.497 61.759 62.300 -0.074 0.000 0.871 651 V CB 1.705 33.509 31.823 -0.032 0.000 0.988 651 V HN -0.019 nan 8.190 nan 0.000 0.432 652 T N 3.359 117.837 114.554 -0.125 0.000 2.861 652 T HA 0.686 5.036 4.350 0.000 0.000 0.287 652 T C -0.474 174.166 174.700 -0.100 0.000 1.003 652 T CA -0.565 61.404 62.100 -0.219 0.000 0.977 652 T CB 1.630 70.266 68.868 -0.385 0.000 0.996 652 T HN 0.893 nan 8.240 nan 0.000 0.448 653 S N 2.024 117.686 115.700 -0.063 0.000 2.541 653 S HA 0.906 5.376 4.470 0.000 0.000 0.271 653 S C -1.815 172.851 174.600 0.109 0.000 1.133 653 S CA -0.996 57.197 58.200 -0.012 0.000 0.876 653 S CB 1.701 65.059 63.200 0.263 0.000 1.105 653 S HN 0.883 nan 8.310 nan 0.000 0.470 654 W N 0.402 121.781 121.300 0.132 0.000 2.959 654 W HA 0.813 5.473 4.660 0.000 0.000 0.358 654 W C -1.566 174.906 176.519 -0.079 0.000 1.228 654 W CA -0.823 56.465 57.345 -0.095 0.000 1.183 654 W CB 0.420 29.726 29.460 -0.256 0.000 1.467 654 W HN 0.968 nan 8.180 nan 0.000 0.578 655 Q N 1.304 121.195 119.800 0.152 0.000 2.386 655 Q HA 0.595 4.935 4.340 0.000 0.000 0.274 655 Q C -1.748 174.386 176.000 0.223 0.000 1.011 655 Q CA -0.890 55.079 55.803 0.276 0.000 0.867 655 Q CB 3.051 31.915 28.738 0.209 0.000 1.409 655 Q HN 0.898 nan 8.270 nan 0.000 0.395 656 V N 0.198 120.325 119.914 0.355 0.000 2.555 656 V HA 0.903 5.023 4.120 0.000 0.000 0.302 656 V C -0.804 175.382 176.094 0.154 0.000 1.038 656 V CA -0.518 61.946 62.300 0.274 0.000 0.887 656 V CB 1.597 33.573 31.823 0.255 0.000 0.991 656 V HN 0.498 nan 8.190 nan 0.000 0.434 657 V N 3.666 123.690 119.914 0.183 0.000 2.735 657 V HA 0.637 4.757 4.120 0.000 0.000 0.310 657 V C 0.597 176.764 176.094 0.121 0.000 1.061 657 V CA -0.025 62.351 62.300 0.125 0.000 0.913 657 V CB 2.069 33.982 31.823 0.150 0.000 1.005 657 V HN 1.272 nan 8.190 nan 0.000 0.428 658 S N 1.640 117.390 115.700 0.083 0.000 2.596 658 S HA 0.115 4.585 4.470 0.000 0.000 0.260 658 S C 0.642 175.298 174.600 0.094 0.000 1.336 658 S CA -0.228 58.020 58.200 0.081 0.000 0.993 658 S CB 0.575 63.814 63.200 0.065 0.000 0.923 658 S HN 0.710 nan 8.310 nan 0.000 0.567 659 D N 1.110 121.558 120.400 0.080 0.000 2.144 659 D HA -0.084 4.556 4.640 0.000 0.000 0.200 659 D C 1.318 177.661 176.300 0.070 0.000 0.978 659 D CA 1.633 55.678 54.000 0.074 0.000 0.833 659 D CB -0.491 40.343 40.800 0.056 0.000 0.961 659 D HN 0.869 nan 8.370 nan 0.000 0.470 660 D N -0.260 120.178 120.400 0.063 0.000 2.340 660 D HA -0.069 4.571 4.640 0.000 0.000 0.220 660 D C 0.444 176.793 176.300 0.082 0.000 1.039 660 D CA 0.153 54.189 54.000 0.060 0.000 0.866 660 D CB -0.179 40.645 40.800 0.041 0.000 0.913 660 D HN 0.112 nan 8.370 nan 0.000 0.523 661 Q N -1.060 118.800 119.800 0.101 0.000 2.362 661 Q HA -0.209 4.131 4.340 0.000 0.000 0.220 661 Q C 0.719 176.845 176.000 0.210 0.000 0.713 661 Q CA 1.238 57.123 55.803 0.136 0.000 1.345 661 Q CB -1.164 27.659 28.738 0.141 0.000 1.570 661 Q HN 0.343 nan 8.270 nan 0.000 0.701 662 K N 0.327 120.817 120.400 0.150 0.000 2.418 662 K HA 0.037 4.357 4.320 0.000 0.000 0.195 662 K C 0.677 177.397 176.600 0.200 0.000 1.035 662 K CA 0.623 57.000 56.287 0.151 0.000 1.003 662 K CB 0.384 32.911 32.500 0.045 0.000 0.793 662 K HN 0.211 nan 8.250 nan 0.000 0.494 663 Q N -0.260 119.626 119.800 0.143 0.000 2.345 663 Q HA 0.589 4.929 4.340 0.000 0.000 0.275 663 Q C -2.008 174.004 176.000 0.020 0.000 1.063 663 Q CA -0.507 55.349 55.803 0.089 0.000 0.819 663 Q CB 2.419 31.207 28.738 0.083 0.000 1.356 663 Q HN 0.126 nan 8.270 nan 0.000 0.418 664 A N 3.077 125.869 122.820 -0.047 0.000 2.597 664 A HA 0.772 5.092 4.320 0.000 0.000 0.292 664 A C -1.758 175.766 177.584 -0.100 0.000 1.057 664 A CA -0.578 51.416 52.037 -0.072 0.000 0.674 664 A CB 1.091 20.058 19.000 -0.055 0.000 1.278 664 A HN 0.628 nan 8.150 nan 0.000 0.416 665 I N 0.693 121.225 120.570 -0.063 0.000 2.498 665 I HA 0.685 4.855 4.170 0.000 0.000 0.290 665 I C 0.332 176.672 176.117 0.372 0.000 1.032 665 I CA -0.479 60.854 61.300 0.054 0.000 1.073 665 I CB 2.165 40.054 38.000 -0.185 0.000 1.251 665 I HN 0.917 nan 8.210 nan 0.000 0.426 666 A N 4.453 127.551 122.820 0.462 0.000 2.386 666 A HA 1.011 5.332 4.320 0.000 0.000 0.308 666 A C -1.086 176.739 177.584 0.401 0.000 1.128 666 A CA -0.658 51.683 52.037 0.506 0.000 0.789 666 A CB 1.845 21.110 19.000 0.443 0.000 1.325 666 A HN 0.849 nan 8.150 nan 0.000 0.437 667 A N 0.722 123.669 122.820 0.212 0.000 2.459 667 A HA 0.719 5.039 4.320 0.000 0.000 0.296 667 A C -0.584 176.690 177.584 -0.518 0.000 1.039 667 A CA -0.516 51.396 52.037 -0.209 0.000 0.698 667 A CB 1.098 20.035 19.000 -0.105 0.000 1.261 667 A HN 1.004 nan 8.150 nan 0.000 0.405 668 R N 2.240 122.374 120.500 -0.610 0.000 2.437 668 R HA 0.678 5.018 4.340 0.000 0.000 0.310 668 R C -1.845 174.131 176.300 -0.540 0.000 0.955 668 R CA -0.339 55.529 56.100 -0.387 0.000 0.851 668 R CB 0.897 31.133 30.300 -0.107 0.000 1.161 668 R HN 0.695 nan 8.270 nan 0.000 0.446 669 Y N 1.629 121.849 120.300 -0.132 0.000 2.429 669 Y HA 0.342 4.892 4.550 0.000 0.000 0.342 669 Y C -0.138 175.715 175.900 -0.078 0.000 1.004 669 Y CA -0.815 57.218 58.100 -0.112 0.000 1.075 669 Y CB 2.223 40.577 38.460 -0.177 0.000 1.214 669 Y HN 0.436 nan 8.280 nan 0.000 0.455 670 Q N 2.861 122.734 119.800 0.121 0.000 2.290 670 Q HA 0.403 4.743 4.340 0.000 0.000 0.269 670 Q C -0.313 175.681 176.000 -0.010 0.000 1.016 670 Q CA -0.296 55.523 55.803 0.028 0.000 0.754 670 Q CB 1.586 30.324 28.738 -0.001 0.000 1.247 670 Q HN 0.937 nan 8.270 nan 0.000 0.451 671 L N 2.519 123.713 121.223 -0.048 0.000 1.973 671 L HA 0.009 4.349 4.340 0.000 0.000 0.208 671 L C 0.369 176.987 176.870 -0.420 0.000 1.073 671 L CA 0.879 55.670 54.840 -0.081 0.000 0.746 671 L CB -0.039 42.036 42.059 0.026 0.000 0.891 671 L HN 0.460 nan 8.230 nan 0.000 0.433 672 L N 0.401 121.414 121.223 -0.351 0.000 2.322 672 L HA 0.329 4.670 4.340 0.000 0.000 0.281 672 L C -0.313 176.187 176.870 -0.617 0.000 1.014 672 L CA -0.313 54.230 54.840 -0.496 0.000 0.815 672 L CB 0.797 42.604 42.059 -0.419 0.000 1.247 672 L HN 0.064 nan 8.230 nan 0.000 0.421 673 N N 2.065 120.447 118.700 -0.531 0.000 2.530 673 N HA 0.235 4.976 4.740 0.000 0.000 0.277 673 N C -0.853 174.326 175.510 -0.552 0.000 1.168 673 N CA 0.040 52.822 53.050 -0.447 0.000 0.979 673 N CB 0.560 38.865 38.487 -0.304 0.000 1.141 673 N HN 0.361 nan 8.380 nan 0.000 0.459 674 H N 1.278 120.286 119.070 -0.103 0.000 2.637 674 H HA 0.423 4.979 4.556 0.000 0.000 0.363 674 H C -2.053 173.231 175.328 -0.074 0.000 1.131 674 H CA -1.338 54.661 56.048 -0.081 0.000 1.183 674 H CB 1.494 31.214 29.762 -0.070 0.000 1.637 674 H HN 0.569 nan 8.280 nan 0.000 0.531 675 P HA 0.037 nan 4.420 nan 0.000 0.276 675 P C 0.099 177.401 177.300 0.004 0.000 1.244 675 P CA -0.431 62.676 63.100 0.012 0.000 0.801 675 P CB 0.859 32.562 31.700 0.006 0.000 1.006 676 N N -1.025 117.668 118.700 -0.011 0.000 2.705 676 N HA -0.188 4.552 4.740 0.000 0.000 0.255 676 N C -0.574 174.917 175.510 -0.033 0.000 1.008 676 N CA 0.852 53.889 53.050 -0.023 0.000 0.742 676 N CB -1.398 37.073 38.487 -0.027 0.000 0.906 676 N HN 0.658 nan 8.380 nan 0.000 0.541 677 A N 0.637 123.443 122.820 -0.022 0.000 2.304 677 A HA 0.663 4.983 4.320 0.000 0.000 0.271 677 A C -1.500 176.051 177.584 -0.055 0.000 1.091 677 A CA -0.880 51.144 52.037 -0.021 0.000 0.812 677 A CB 0.126 19.127 19.000 0.001 0.000 1.056 677 A HN 0.376 nan 8.150 nan 0.000 0.489 678 P HA 0.145 nan 4.420 nan 0.000 0.269 678 P C -0.742 176.560 177.300 0.002 0.000 1.217 678 P CA 0.073 63.128 63.100 -0.075 0.000 0.783 678 P CB 0.052 31.736 31.700 -0.027 0.000 0.898 679 Y N -0.303 120.009 120.300 0.019 0.000 2.480 679 Y HA 0.110 4.660 4.550 0.000 0.000 0.338 679 Y C 1.368 177.204 175.900 -0.107 0.000 1.220 679 Y CA 0.168 58.263 58.100 -0.008 0.000 1.430 679 Y CB -0.336 38.225 38.460 0.167 0.000 1.311 679 Y HN 0.177 nan 8.280 nan 0.000 0.575 680 T N 4.482 118.967 114.554 -0.116 0.000 2.799 680 T HA 0.487 4.837 4.350 0.000 0.000 0.286 680 T C -0.240 174.335 174.700 -0.207 0.000 0.973 680 T CA -0.721 61.292 62.100 -0.145 0.000 1.035 680 T CB 0.495 69.263 68.868 -0.166 0.000 0.932 680 T HN 0.437 nan 8.240 nan 0.000 0.469 681 R N 2.572 123.022 120.500 -0.084 0.000 2.476 681 R HA 0.502 4.842 4.340 0.000 0.000 0.305 681 R C -1.645 174.549 176.300 -0.177 0.000 0.965 681 R CA -0.693 55.314 56.100 -0.154 0.000 0.867 681 R CB 0.657 30.869 30.300 -0.147 0.000 1.176 681 R HN 0.547 nan 8.270 nan 0.000 0.447 682 F N 4.794 124.508 119.950 -0.392 0.000 2.410 682 F HA 0.405 4.932 4.527 0.000 0.000 0.349 682 F C -1.322 174.128 175.800 -0.582 0.000 1.117 682 F CA -0.500 57.239 58.000 -0.436 0.000 1.104 682 F CB 0.722 39.368 39.000 -0.590 0.000 1.122 682 F HN 0.486 nan 8.300 nan 0.000 0.483 683 Y N 6.521 126.260 120.300 -0.936 0.000 2.385 683 Y HA 0.346 4.896 4.550 0.000 0.000 0.341 683 Y C -0.469 174.954 175.900 -0.794 0.000 0.965 683 Y CA -0.640 57.093 58.100 -0.611 0.000 1.180 683 Y CB 0.329 38.574 38.460 -0.358 0.000 1.139 683 Y HN 0.404 nan 8.280 nan 0.000 0.502 684 F N 3.549 123.344 119.950 -0.258 0.000 2.450 684 F HA 0.313 4.840 4.527 0.000 0.000 0.339 684 F C 0.570 176.241 175.800 -0.215 0.000 1.146 684 F CA -0.101 57.780 58.000 -0.199 0.000 1.267 684 F CB 0.623 39.524 39.000 -0.164 0.000 1.178 684 F HN 0.241 nan 8.300 nan 0.000 0.585 685 K N 0.452 120.782 120.400 -0.116 0.000 2.281 685 K HA 0.494 4.814 4.320 0.000 0.000 0.242 685 K C 0.645 176.940 176.600 -0.509 0.000 0.971 685 K CA -0.174 55.919 56.287 -0.324 0.000 0.834 685 K CB 1.566 33.786 32.500 -0.468 0.000 1.181 685 K HN 0.742 nan 8.250 nan 0.000 0.435 686 G N 0.644 109.162 108.800 -0.470 0.000 2.175 686 G HA2 -0.263 3.697 3.960 0.000 0.000 0.265 686 G HA3 -0.263 3.697 3.960 0.000 0.000 0.265 686 G C 0.204 175.021 174.900 -0.139 0.000 0.979 686 G CA 0.536 45.413 45.100 -0.372 0.000 0.663 686 G HN 0.370 nan 8.290 nan 0.000 0.533 687 L N -0.593 120.548 121.223 -0.136 0.000 2.475 687 L HA 0.485 4.825 4.340 0.000 0.000 0.253 687 L C 1.311 178.237 176.870 0.094 0.000 1.198 687 L CA -0.836 53.965 54.840 -0.066 0.000 0.814 687 L CB 0.339 42.227 42.059 -0.285 0.000 1.134 687 L HN 0.066 nan 8.230 nan 0.000 0.478 688 R N 1.153 121.793 120.500 0.233 0.000 2.298 688 R HA 0.169 4.509 4.340 0.000 0.000 0.310 688 R C -1.680 174.749 176.300 0.216 0.000 1.068 688 R CA -1.578 54.635 56.100 0.188 0.000 0.957 688 R CB 0.774 31.163 30.300 0.149 0.000 1.003 688 R HN 0.348 nan 8.270 nan 0.000 0.454 689 P HA -0.138 nan 4.420 nan 0.000 0.216 689 P C 0.103 177.535 177.300 0.219 0.000 1.150 689 P CA 1.255 64.453 63.100 0.163 0.000 0.837 689 P CB 0.290 32.053 31.700 0.105 0.000 0.786 690 N N -1.164 117.651 118.700 0.192 0.000 2.251 690 N HA 0.051 4.791 4.740 0.000 0.000 0.217 690 N C 0.320 175.979 175.510 0.249 0.000 1.124 690 N CA 0.135 53.336 53.050 0.251 0.000 0.843 690 N CB 0.166 38.733 38.487 0.134 0.000 1.024 690 N HN 0.228 nan 8.380 nan 0.000 0.501 691 Q N 0.934 120.806 119.800 0.119 0.000 2.256 691 Q HA 0.345 4.685 4.340 0.000 0.000 0.257 691 Q C -0.729 175.037 176.000 -0.389 0.000 0.936 691 Q CA -0.432 55.270 55.803 -0.168 0.000 0.903 691 Q CB 1.006 29.589 28.738 -0.260 0.000 1.263 691 Q HN -0.034 nan 8.270 nan 0.000 0.440 692 R N 2.706 122.872 120.500 -0.557 0.000 2.349 692 R HA 0.444 4.784 4.340 0.000 0.000 0.299 692 R C -0.966 175.018 176.300 -0.525 0.000 1.027 692 R CA -0.110 55.648 56.100 -0.572 0.000 0.958 692 R CB 0.826 30.779 30.300 -0.579 0.000 1.047 692 R HN 0.598 nan 8.270 nan 0.000 0.468 693 Y N 0.200 120.418 120.300 -0.136 0.000 2.570 693 Y HA 0.326 4.876 4.550 0.000 0.000 0.345 693 Y C 0.121 176.000 175.900 -0.034 0.000 1.014 693 Y CA -0.891 57.154 58.100 -0.091 0.000 1.063 693 Y CB 2.006 40.388 38.460 -0.131 0.000 1.272 693 Y HN 0.289 nan 8.280 nan 0.000 0.477 694 Q N 1.860 121.748 119.800 0.146 0.000 2.345 694 Q HA 0.615 4.955 4.340 0.000 0.000 0.268 694 Q C -1.402 174.635 176.000 0.061 0.000 1.054 694 Q CA -0.863 55.009 55.803 0.116 0.000 0.835 694 Q CB 3.146 31.928 28.738 0.075 0.000 1.339 694 Q HN 0.608 nan 8.270 nan 0.000 0.447 695 I N 3.151 123.760 120.570 0.065 0.000 2.466 695 I HA 0.194 4.364 4.170 0.000 0.000 0.279 695 I C -0.321 175.848 176.117 0.087 0.000 1.033 695 I CA -0.364 60.924 61.300 -0.020 0.000 1.123 695 I CB 0.828 38.655 38.000 -0.288 0.000 1.237 695 I HN 0.620 nan 8.210 nan 0.000 0.460 696 N N 3.954 122.706 118.700 0.087 0.000 1.202 696 N HA -0.273 4.467 4.740 0.000 0.000 0.108 696 N C 0.444 176.020 175.510 0.109 0.000 0.816 696 N CA 1.782 54.891 53.050 0.098 0.000 0.848 696 N CB -0.500 38.057 38.487 0.117 0.000 0.972 696 N HN 0.832 nan 8.380 nan 0.000 0.645 697 D N 0.288 120.756 120.400 0.113 0.000 2.319 697 D HA 0.075 4.715 4.640 0.000 0.000 0.230 697 D C -0.125 176.251 176.300 0.127 0.000 1.094 697 D CA 0.028 54.090 54.000 0.103 0.000 0.856 697 D CB -0.568 40.281 40.800 0.082 0.000 0.915 697 D HN 0.413 nan 8.370 nan 0.000 0.517 698 D N 1.742 122.249 120.400 0.178 0.000 2.458 698 D HA 0.001 4.641 4.640 0.000 0.000 0.243 698 D C -1.193 175.205 176.300 0.162 0.000 1.146 698 D CA -1.309 52.824 54.000 0.221 0.000 0.877 698 D CB 1.762 42.788 40.800 0.377 0.000 1.176 698 D HN 0.011 nan 8.370 nan 0.000 0.461 699 P HA 0.016 nan 4.420 nan 0.000 0.235 699 P C 0.194 177.501 177.300 0.013 0.000 1.177 699 P CA -0.018 63.117 63.100 0.058 0.000 0.785 699 P CB 0.429 32.153 31.700 0.040 0.000 0.885 700 S N 0.252 115.953 115.700 0.000 0.000 2.624 700 S HA 0.374 4.844 4.470 0.000 0.000 0.263 700 S C 0.559 174.990 174.600 -0.282 0.000 1.287 700 S CA -0.005 58.079 58.200 -0.194 0.000 0.990 700 S CB 0.422 63.406 63.200 -0.361 0.000 0.950 700 S HN 0.257 nan 8.310 nan 0.000 0.561 701 T N 0.047 114.349 114.554 -0.420 0.000 2.824 701 T HA 0.654 5.004 4.350 0.000 0.000 0.282 701 T C -1.414 173.013 174.700 -0.455 0.000 0.993 701 T CA -0.599 61.311 62.100 -0.316 0.000 0.967 701 T CB 0.382 69.129 68.868 -0.202 0.000 0.960 701 T HN 0.411 nan 8.240 nan 0.000 0.441 702 Y N 0.970 121.258 120.300 -0.020 0.000 2.393 702 Y HA 0.511 5.061 4.550 0.000 0.000 0.341 702 Y C 0.029 175.935 175.900 0.009 0.000 0.988 702 Y CA -1.512 56.612 58.100 0.041 0.000 1.078 702 Y CB 1.172 39.679 38.460 0.079 0.000 1.203 702 Y HN 0.646 nan 8.280 nan 0.000 0.453 703 Y N 0.963 121.389 120.300 0.209 0.000 2.480 703 Y HA 0.116 4.666 4.550 0.000 0.000 0.338 703 Y C 1.675 177.707 175.900 0.221 0.000 1.220 703 Y CA 0.980 59.179 58.100 0.165 0.000 1.430 703 Y CB 0.891 39.414 38.460 0.104 0.000 1.311 703 Y HN 0.938 nan 8.280 nan 0.000 0.575 704 G N 1.682 110.729 108.800 0.412 0.000 2.505 704 G HA2 -0.387 3.573 3.960 0.000 0.000 0.220 704 G HA3 -0.387 3.573 3.960 0.000 0.000 0.220 704 G C 1.189 176.212 174.900 0.206 0.000 1.145 704 G CA 1.435 46.729 45.100 0.323 0.000 0.761 704 G HN 0.840 nan 8.290 nan 0.000 0.571 705 D N 0.722 121.254 120.400 0.220 0.000 2.178 705 D HA -0.055 4.585 4.640 0.000 0.000 0.202 705 D C 2.025 178.418 176.300 0.156 0.000 0.974 705 D CA 1.278 55.369 54.000 0.153 0.000 0.841 705 D CB -0.663 40.202 40.800 0.107 0.000 0.953 705 D HN 0.524 nan 8.370 nan 0.000 0.478 706 E N 0.377 120.699 120.200 0.203 0.000 2.058 706 E HA -0.065 4.285 4.350 0.000 0.000 0.194 706 E C 1.019 177.711 176.600 0.154 0.000 0.997 706 E CA 0.455 56.972 56.400 0.196 0.000 0.801 706 E CB -0.106 29.767 29.700 0.287 0.000 0.746 706 E HN 0.337 nan 8.360 nan 0.000 0.450 710 A N 0.770 123.710 122.820 0.201 0.000 2.115 710 A HA 0.644 4.964 4.320 0.000 0.000 0.211 710 A C 1.098 178.655 177.584 -0.046 0.000 1.169 710 A CA 1.322 53.447 52.037 0.147 0.000 0.787 710 A CB -0.121 18.941 19.000 0.103 0.000 0.858 710 A HN 0.665 nan 8.150 nan 0.000 0.474 711 G N -1.759 106.929 108.800 -0.186 0.000 2.796 711 G HA2 -0.091 3.869 3.960 0.000 0.000 0.571 711 G HA3 -0.091 3.869 3.960 0.000 0.000 0.571 711 G C -0.559 174.250 174.900 -0.152 0.000 1.370 711 G CA -0.079 44.687 45.100 -0.557 0.000 0.856 711 G HN 1.298 nan 8.290 nan 0.000 0.538 712 Y N -0.337 119.803 120.300 -0.266 0.000 2.338 712 Y HA 0.612 5.162 4.550 0.000 0.000 0.333 712 Y C 0.005 175.845 175.900 -0.099 0.000 0.968 712 Y CA -1.323 56.690 58.100 -0.146 0.000 1.123 712 Y CB 1.275 39.703 38.460 -0.054 0.000 1.165 712 Y HN 0.900 nan 8.280 nan 0.000 0.452 713 F N 7.242 126.854 119.950 -0.563 0.000 2.506 713 F HA 0.494 5.022 4.527 0.000 0.000 0.371 713 F C -1.133 174.415 175.800 -0.421 0.000 1.078 713 F CA -0.331 57.420 58.000 -0.415 0.000 1.195 713 F CB 0.379 39.152 39.000 -0.378 0.000 1.099 713 F HN 0.218 nan 8.300 nan 0.000 0.548 714 V N 8.218 127.683 119.914 -0.748 0.000 2.435 714 V HA 0.368 4.488 4.120 0.000 0.000 0.290 714 V C -2.049 173.690 176.094 -0.591 0.000 1.030 714 V CA -2.030 60.043 62.300 -0.378 0.000 0.881 714 V CB 1.271 33.057 31.823 -0.062 0.000 0.983 714 V HN 0.670 nan 8.190 nan 0.000 0.445 715 P HA 0.160 nan 4.420 nan 0.000 0.269 715 P C 0.126 177.367 177.300 -0.099 0.000 1.209 715 P CA -0.101 62.955 63.100 -0.074 0.000 0.776 715 P CB 0.084 31.831 31.700 0.077 0.000 0.876 716 T N 1.408 115.939 114.554 -0.039 0.000 2.908 716 T HA 0.098 4.448 4.350 0.000 0.000 0.325 716 T C 0.693 175.337 174.700 -0.093 0.000 1.092 716 T CA -0.139 61.935 62.100 -0.042 0.000 1.125 716 T CB -0.207 68.675 68.868 0.022 0.000 1.016 716 T HN 0.194 nan 8.240 nan 0.000 0.550 717 I N 2.425 122.890 120.570 -0.176 0.000 2.322 717 I HA 0.219 4.389 4.170 0.000 0.000 0.292 717 I C 0.120 176.085 176.117 -0.253 0.000 1.060 717 I CA -0.265 60.829 61.300 -0.343 0.000 1.309 717 I CB 0.089 37.755 38.000 -0.557 0.000 1.415 717 I HN 0.355 nan 8.210 nan 0.000 0.492 718 L N 5.954 127.059 121.223 -0.195 0.000 2.334 718 L HA 0.616 4.956 4.340 0.000 0.000 0.275 718 L C 0.593 177.394 176.870 -0.115 0.000 1.036 718 L CA -0.745 54.026 54.840 -0.115 0.000 0.807 718 L CB 1.534 43.560 42.059 -0.054 0.000 1.231 718 L HN 0.596 nan 8.230 nan 0.000 0.438 719 A N 1.072 123.842 122.820 -0.083 0.000 2.440 719 A HA 0.290 4.610 4.320 0.000 0.000 0.251 719 A C 0.028 177.592 177.584 -0.034 0.000 1.089 719 A CA -0.160 51.840 52.037 -0.061 0.000 0.779 719 A CB 0.018 18.988 19.000 -0.049 0.000 1.022 719 A HN 0.864 nan 8.150 nan 0.000 0.492 720 D N 0.196 120.583 120.400 -0.020 0.000 2.527 720 D HA 0.299 4.939 4.640 0.000 0.000 0.224 720 D C 0.949 177.250 176.300 0.001 0.000 1.217 720 D CA 0.631 54.629 54.000 -0.004 0.000 0.819 720 D CB -0.337 40.468 40.800 0.007 0.000 1.061 720 D HN 1.256 nan 8.370 nan 0.000 0.515 721 G N 0.244 109.042 108.800 -0.003 0.000 2.196 721 G HA2 -0.385 3.575 3.960 0.000 0.000 0.268 721 G HA3 -0.385 3.575 3.960 0.000 0.000 0.268 721 G C 1.053 175.958 174.900 0.008 0.000 0.975 721 G CA 0.951 46.052 45.100 0.001 0.000 0.648 721 G HN 0.390 nan 8.290 nan 0.000 0.538 722 Q N -0.296 119.511 119.800 0.012 0.000 2.581 722 Q HA 0.158 4.498 4.340 0.000 0.000 0.222 722 Q C 1.245 177.260 176.000 0.025 0.000 0.904 722 Q CA 1.324 57.138 55.803 0.019 0.000 0.923 722 Q CB 0.487 29.239 28.738 0.023 0.000 1.117 722 Q HN 0.897 nan 8.270 nan 0.000 0.618 723 E N 0.176 120.394 120.200 0.031 0.000 2.277 723 E HA 0.478 4.828 4.350 0.000 0.000 0.266 723 E C -0.712 175.907 176.600 0.032 0.000 0.901 723 E CA -0.618 55.807 56.400 0.041 0.000 0.782 723 E CB 1.844 31.581 29.700 0.062 0.000 1.228 723 E HN -0.127 nan 8.360 nan 0.000 0.424 724 S N 0.739 116.461 115.700 0.037 0.000 2.558 724 S HA -0.014 4.456 4.470 0.000 0.000 0.287 724 S C 0.387 174.995 174.600 0.015 0.000 1.321 724 S CA -0.200 58.010 58.200 0.016 0.000 1.048 724 S CB 0.327 63.550 63.200 0.038 0.000 0.844 724 S HN 0.503 nan 8.310 nan 0.000 0.512 725 K N 2.225 122.592 120.400 -0.056 0.000 2.440 725 K HA 0.262 4.582 4.320 0.000 0.000 0.206 725 K C -0.613 175.905 176.600 -0.136 0.000 1.025 725 K CA -0.174 56.059 56.287 -0.091 0.000 1.135 725 K CB -0.068 32.306 32.500 -0.209 0.000 0.856 725 K HN 0.573 nan 8.250 nan 0.000 0.502 726 D N 0.738 121.017 120.400 -0.202 0.000 2.329 726 D HA 0.159 4.799 4.640 0.000 0.000 0.246 726 D C 0.314 176.403 176.300 -0.350 0.000 1.111 726 D CA -0.348 53.345 54.000 -0.512 0.000 0.941 726 D CB 0.367 40.618 40.800 -0.915 0.000 1.169 726 D HN -0.033 nan 8.370 nan 0.000 0.441 727 F N -0.542 119.428 119.950 0.033 0.000 2.797 727 F HA -0.256 4.271 4.527 0.000 0.000 0.273 727 F C -0.405 175.453 175.800 0.096 0.000 1.020 727 F CA 0.074 58.097 58.000 0.038 0.000 0.961 727 F CB -2.508 36.493 39.000 0.002 0.000 1.020 727 F HN 0.286 nan 8.300 nan 0.000 0.840 728 Y N 0.465 120.795 120.300 0.050 0.000 2.361 728 Y HA 0.642 5.192 4.550 0.000 0.000 0.332 728 Y C 0.572 176.493 175.900 0.035 0.000 1.101 728 Y CA -0.764 57.347 58.100 0.018 0.000 1.137 728 Y CB 1.480 39.908 38.460 -0.054 0.000 1.207 728 Y HN 0.171 nan 8.280 nan 0.000 0.463 729 T N 5.866 120.185 114.554 -0.392 0.000 2.797 729 T HA 0.355 4.705 4.350 0.000 0.000 0.279 729 T C -1.035 173.380 174.700 -0.474 0.000 0.991 729 T CA -0.748 61.164 62.100 -0.312 0.000 0.979 729 T CB 0.941 69.711 68.868 -0.164 0.000 0.943 729 T HN 0.533 nan 8.240 nan 0.000 0.444 730 Q N 2.300 121.841 119.800 -0.432 0.000 2.357 730 Q HA 0.547 4.887 4.340 0.000 0.000 0.266 730 Q C -1.280 174.213 176.000 -0.846 0.000 1.021 730 Q CA -0.740 54.732 55.803 -0.552 0.000 0.784 730 Q CB 1.829 30.330 28.738 -0.395 0.000 1.243 730 Q HN 0.386 nan 8.270 nan 0.000 0.465 731 L N 3.308 124.075 121.223 -0.759 0.000 2.307 731 L HA 0.561 4.901 4.340 0.000 0.000 0.284 731 L C -1.589 174.871 176.870 -0.683 0.000 1.023 731 L CA -0.152 54.385 54.840 -0.505 0.000 0.810 731 L CB 0.737 42.718 42.059 -0.130 0.000 1.231 731 L HN 0.462 nan 8.230 nan 0.000 0.423 732 F N 4.614 124.565 119.950 0.002 0.000 2.434 732 F HA 0.436 4.964 4.527 0.000 0.000 0.355 732 F C -0.205 175.616 175.800 0.036 0.000 1.115 732 F CA -0.981 57.023 58.000 0.006 0.000 1.010 732 F CB 1.362 40.383 39.000 0.035 0.000 1.234 732 F HN -0.008 nan 8.300 nan 0.000 0.439 733 V N 4.451 124.438 119.914 0.121 0.000 2.408 733 V HA 0.359 4.479 4.120 0.000 0.000 0.267 733 V C -0.105 175.981 176.094 -0.012 0.000 1.047 733 V CA -0.615 61.693 62.300 0.013 0.000 0.937 733 V CB 1.042 32.863 31.823 -0.003 0.000 0.999 733 V HN 0.483 nan 8.190 nan 0.000 0.472 734 V N 4.602 124.474 119.914 -0.070 0.000 2.350 734 V HA 0.509 4.629 4.120 0.000 0.000 0.285 734 V C 0.116 176.202 176.094 -0.015 0.000 1.014 734 V CA -0.196 62.022 62.300 -0.135 0.000 0.831 734 V CB 1.767 33.373 31.823 -0.362 0.000 1.000 734 V HN 0.950 nan 8.190 nan 0.000 0.433 735 T N 3.824 118.437 114.554 0.098 0.000 2.848 735 T HA 0.680 5.030 4.350 0.000 0.000 0.285 735 T C 0.177 174.989 174.700 0.187 0.000 0.995 735 T CA -0.339 61.851 62.100 0.150 0.000 0.970 735 T CB 1.803 70.731 68.868 0.099 0.000 0.976 735 T HN 0.871 nan 8.240 nan 0.000 0.441 736 A N 3.263 126.146 122.820 0.105 0.000 2.462 736 A HA 0.513 4.834 4.320 0.000 0.000 0.243 736 A C 0.598 178.117 177.584 -0.108 0.000 1.076 736 A CA -0.369 51.571 52.037 -0.163 0.000 0.773 736 A CB -0.292 18.564 19.000 -0.242 0.000 1.010 736 A HN 0.715 nan 8.150 nan 0.000 0.493 737 I N 0.000 120.473 120.570 -0.162 0.000 2.984 737 I HA 0.000 4.170 4.170 0.000 0.000 0.288 737 I CA 0.000 61.231 61.300 -0.114 0.000 1.566 737 I CB 0.000 37.909 38.000 -0.151 0.000 1.214 737 I HN 0.000 nan 8.210 nan 0.000 0.494