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 3fg0_1_C DATA FIRST_RESID -6 DATA SEQUENCE LYFQSNAMEL LKHLSQRQYI DGEWVESANK NTRDIINPYN QEVIFTVSEG DATA SEQUENCE TKEDAERAIL AARRAFESGE WSQETAETRG KKVRAIADKI KEHREALARL DATA SEQUENCE ETLDTGKTLE ESYADMDDIH NVFMYFAGLA DKDGGEMIDS PIPDTESKIV DATA SEQUENCE KEPVGVVTQI TPWNYPLLQA SWKIAPALAT GCSLVMKPSE ITPLTTIRVF DATA SEQUENCE ELMEEVGFPK GTINLILGAG SEVGDVMSGH KEVDLVSFTG GIETGKHIMK DATA SEQUENCE NAANNVTNIA LELGGKNPNI IFDDADFELA VDQALNGGYF HAGQVCSAGS DATA SEQUENCE RILVQNSIKD KFEQALIDRV KKIKLGNGFD ADTEMGPVIS TEHRNKIESY DATA SEQUENCE MDVAKAEGAT IAVGGKRPDR DDLKDGLFFE PTVITNCDTS MRIVQEEVFG DATA SEQUENCE PVVTVEGFET EQEAIQLAND SIYGLAGAVF SKDIGKAQRV ANKLKLGTVW DATA SEQUENCE INDFHPYFAQ APWGGYKQSG IGRELGKEGL EEYLVSKHIL TNTNPQLVNW DATA SEQUENCE FSK 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 -6 L HA 0.000 nan 4.340 nan 0.000 0.249 -6 L C 0.000 176.823 176.870 -0.078 0.000 1.165 -6 L CA 0.000 54.625 54.840 -0.359 0.000 0.813 -6 L CB 0.000 41.745 42.059 -0.523 0.000 0.961 -5 Y N -1.720 118.605 120.300 0.041 0.000 4.668 -5 Y HA -0.294 4.256 4.550 -0.000 0.000 0.234 -5 Y C 1.375 177.378 175.900 0.172 0.000 1.056 -5 Y CA 0.828 58.978 58.100 0.083 0.000 2.025 -5 Y CB -2.663 35.847 38.460 0.083 0.000 1.613 -5 Y HN 0.305 nan 8.280 nan 0.000 0.653 -4 F N 0.156 120.076 119.950 -0.050 0.000 2.146 -4 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 -4 F C 2.575 178.089 175.800 -0.477 0.000 1.096 -4 F CA 2.073 60.005 58.000 -0.112 0.000 1.275 -4 F CB -0.826 38.201 39.000 0.045 0.000 1.008 -4 F HN 0.334 nan 8.300 nan 0.000 0.480 -3 Q N 0.345 119.788 119.800 -0.595 0.000 2.050 -3 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 -3 Q C 2.382 178.141 176.000 -0.402 0.000 0.980 -3 Q CA 2.384 57.557 55.803 -1.049 0.000 0.840 -3 Q CB -0.088 28.198 28.738 -0.753 0.000 0.898 -3 Q HN 0.447 nan 8.270 nan 0.000 0.424 -2 S N 0.421 116.030 115.700 -0.151 0.000 2.382 -2 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 -2 S C 1.613 176.190 174.600 -0.038 0.000 1.027 -2 S CA 1.228 59.406 58.200 -0.037 0.000 0.991 -2 S CB -0.431 62.813 63.200 0.073 0.000 0.823 -2 S HN 0.389 nan 8.310 nan 0.000 0.469 -1 N N 2.449 121.134 118.700 -0.026 0.000 2.244 -1 N HA 0.111 4.851 4.740 -0.000 0.000 0.183 -1 N C 1.935 177.413 175.510 -0.054 0.000 1.016 -1 N CA 1.298 54.330 53.050 -0.030 0.000 0.866 -1 N CB -0.775 37.699 38.487 -0.021 0.000 0.980 -1 N HN 0.625 nan 8.380 nan 0.000 0.430 0 A N 1.220 123.978 122.820 -0.103 0.000 1.930 0 A HA -0.061 4.258 4.320 -0.000 0.000 0.217 0 A C 2.197 179.756 177.584 -0.041 0.000 1.175 0 A CA 1.043 53.046 52.037 -0.057 0.000 0.627 0 A CB -0.276 18.696 19.000 -0.048 0.000 0.815 0 A HN 0.103 nan 8.150 nan 0.000 0.443 1 M N -0.273 119.290 119.600 -0.061 0.000 2.229 1 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 1 M C 1.713 178.002 176.300 -0.019 0.000 1.063 1 M CA 1.045 56.328 55.300 -0.029 0.000 1.114 1 M CB -1.145 31.444 32.600 -0.019 0.000 1.387 1 M HN 0.423 nan 8.290 nan 0.000 0.420 2 E N 0.456 120.648 120.200 -0.014 0.000 2.204 2 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 2 E C 2.187 178.806 176.600 0.033 0.000 0.989 2 E CA 0.810 57.212 56.400 0.003 0.000 0.824 2 E CB -0.284 29.428 29.700 0.019 0.000 0.756 2 E HN 0.530 nan 8.360 nan 0.000 0.477 3 L N 0.471 121.714 121.223 0.033 0.000 2.079 3 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 3 L C 2.506 179.379 176.870 0.005 0.000 1.081 3 L CA 0.864 55.740 54.840 0.060 0.000 0.752 3 L CB -0.491 41.571 42.059 0.005 0.000 0.896 3 L HN 0.124 nan 8.230 nan 0.000 0.433 4 L N -0.333 120.847 121.223 -0.072 0.000 2.265 4 L HA -0.212 4.128 4.340 -0.000 0.000 0.215 4 L C 2.441 179.306 176.870 -0.009 0.000 1.117 4 L CA 1.135 55.893 54.840 -0.137 0.000 0.782 4 L CB -0.507 41.478 42.059 -0.123 0.000 0.914 4 L HN 0.264 nan 8.230 nan 0.000 0.441 5 K N -0.820 119.512 120.400 -0.113 0.000 2.280 5 K HA -0.119 4.201 4.320 -0.000 0.000 0.202 5 K C 1.312 177.660 176.600 -0.420 0.000 1.047 5 K CA 0.819 56.942 56.287 -0.273 0.000 0.942 5 K CB -0.034 32.209 32.500 -0.428 0.000 0.739 5 K HN 0.502 nan 8.250 nan 0.000 0.457 6 H N -0.785 118.284 119.070 -0.000 0.000 2.755 6 H HA 0.107 4.663 4.556 -0.000 0.000 0.273 6 H C -0.080 175.214 175.328 -0.056 0.000 1.055 6 H CA -0.399 55.631 56.048 -0.030 0.000 1.191 6 H CB 0.300 30.035 29.762 -0.046 0.000 1.536 6 H HN 0.009 nan 8.280 nan 0.000 0.529 7 L N 2.120 123.365 121.223 0.038 0.000 2.371 7 L HA 0.201 4.541 4.340 -0.000 0.000 0.272 7 L C 0.322 177.227 176.870 0.058 0.000 1.124 7 L CA -0.078 54.749 54.840 -0.022 0.000 0.816 7 L CB 1.206 43.160 42.059 -0.175 0.000 1.129 7 L HN -0.110 nan 8.230 nan 0.000 0.448 8 S N 3.024 118.647 115.700 -0.129 0.000 2.568 8 S HA 0.073 4.543 4.470 -0.000 0.000 0.282 8 S C 0.662 175.314 174.600 0.088 0.000 1.338 8 S CA -0.171 57.894 58.200 -0.225 0.000 1.045 8 S CB 0.521 63.220 63.200 -0.835 0.000 0.873 8 S HN 0.730 nan 8.310 nan 0.000 0.516 9 Q N 0.652 120.478 119.800 0.044 0.000 2.247 9 Q HA 0.183 4.523 4.340 -0.000 0.000 0.211 9 Q C 0.208 176.261 176.000 0.090 0.000 0.861 9 Q CA 0.143 55.967 55.803 0.036 0.000 0.949 9 Q CB 0.598 29.236 28.738 -0.166 0.000 1.115 9 Q HN 0.465 nan 8.270 nan 0.000 0.507 10 R N 0.060 120.669 120.500 0.182 0.000 2.875 10 R HA 0.384 4.724 4.340 -0.000 0.000 0.251 10 R C -0.222 176.339 176.300 0.435 0.000 1.123 10 R CA -0.616 55.658 56.100 0.291 0.000 1.064 10 R CB 1.093 31.606 30.300 0.355 0.000 1.205 10 R HN 0.045 nan 8.270 nan 0.000 0.503 11 Q N 0.305 120.264 119.800 0.265 0.000 2.317 11 Q HA 0.172 4.512 4.340 -0.000 0.000 0.229 11 Q C -1.243 174.774 176.000 0.029 0.000 0.984 11 Q CA -0.189 55.683 55.803 0.115 0.000 0.911 11 Q CB 0.875 29.619 28.738 0.011 0.000 1.217 11 Q HN 0.441 nan 8.270 nan 0.000 0.501 12 Y N 1.329 121.371 120.300 -0.430 0.000 2.363 12 Y HA 0.469 5.019 4.550 -0.000 0.000 0.325 12 Y C -1.475 174.179 175.900 -0.411 0.000 0.984 12 Y CA -0.550 57.119 58.100 -0.719 0.000 1.248 12 Y CB 0.551 38.271 38.460 -1.233 0.000 1.116 12 Y HN 0.436 nan 8.280 nan 0.000 0.470 13 I N 5.496 125.713 120.570 -0.589 0.000 2.447 13 I HA 0.230 4.400 4.170 -0.000 0.000 0.287 13 I C -0.502 175.338 176.117 -0.462 0.000 1.023 13 I CA -0.980 60.074 61.300 -0.410 0.000 1.083 13 I CB 1.806 39.672 38.000 -0.222 0.000 1.245 13 I HN 0.558 nan 8.210 nan 0.000 0.434 14 D N 5.387 125.562 120.400 -0.375 0.000 2.697 14 D HA -0.189 4.451 4.640 -0.000 0.000 0.235 14 D C 1.060 177.152 176.300 -0.347 0.000 1.167 14 D CA 1.746 55.582 54.000 -0.273 0.000 0.656 14 D CB -0.667 40.034 40.800 -0.164 0.000 1.025 14 D HN 1.130 nan 8.370 nan 0.000 0.419 15 G N 0.154 108.596 108.800 -0.598 0.000 2.159 15 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.256 15 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.256 15 G C -0.017 174.627 174.900 -0.427 0.000 0.977 15 G CA 0.741 45.577 45.100 -0.440 0.000 0.652 15 G HN 0.877 nan 8.290 nan 0.000 0.531 16 E N -1.283 118.532 120.200 -0.641 0.000 2.356 16 E HA 0.534 4.884 4.350 -0.000 0.000 0.275 16 E C -0.994 175.433 176.600 -0.287 0.000 0.904 16 E CA -1.589 54.655 56.400 -0.260 0.000 0.757 16 E CB 0.996 30.642 29.700 -0.091 0.000 1.232 16 E HN 0.197 nan 8.360 nan 0.000 0.442 17 W N 2.527 123.895 121.300 0.114 0.000 2.345 17 W HA 0.410 5.070 4.660 -0.000 0.000 0.308 17 W C -0.200 176.350 176.519 0.052 0.000 1.273 17 W CA -0.248 57.186 57.345 0.149 0.000 1.243 17 W CB 1.402 30.967 29.460 0.175 0.000 1.260 17 W HN 0.445 nan 8.180 nan 0.000 0.509 18 V N 0.416 120.456 119.914 0.210 0.000 2.925 18 V HA 0.523 4.643 4.120 -0.000 0.000 0.311 18 V C -0.124 176.034 176.094 0.106 0.000 1.104 18 V CA -1.604 60.762 62.300 0.111 0.000 0.954 18 V CB 1.621 33.455 31.823 0.019 0.000 1.022 18 V HN 0.564 nan 8.190 nan 0.000 0.427 19 E N 1.334 121.579 120.200 0.074 0.000 2.397 19 E HA 0.323 4.673 4.350 -0.000 0.000 0.254 19 E C 0.258 176.877 176.600 0.032 0.000 1.231 19 E CA -0.195 56.236 56.400 0.052 0.000 0.954 19 E CB 0.662 30.381 29.700 0.033 0.000 1.024 19 E HN 0.876 nan 8.360 nan 0.000 0.481 20 S N -0.423 115.290 115.700 0.022 0.000 2.579 20 S HA 0.137 4.607 4.470 -0.000 0.000 0.275 20 S C 0.991 175.596 174.600 0.008 0.000 1.345 20 S CA 0.177 58.385 58.200 0.013 0.000 1.031 20 S CB 0.973 64.179 63.200 0.010 0.000 0.892 20 S HN 0.562 nan 8.310 nan 0.000 0.529 21 A N 3.491 126.313 122.820 0.004 0.000 2.024 21 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 21 A C 1.523 179.108 177.584 0.003 0.000 1.164 21 A CA 1.853 53.891 52.037 0.002 0.000 0.643 21 A CB -0.733 18.267 19.000 -0.000 0.000 0.806 21 A HN 0.957 nan 8.150 nan 0.000 0.451 22 N N -2.532 116.170 118.700 0.004 0.000 2.235 22 N HA 0.128 4.868 4.740 -0.000 0.000 0.209 22 N C 0.140 175.651 175.510 0.002 0.000 1.122 22 N CA 0.374 53.426 53.050 0.003 0.000 0.845 22 N CB 0.285 38.773 38.487 0.003 0.000 1.004 22 N HN 0.150 nan 8.380 nan 0.000 0.499 23 K N -0.565 119.837 120.400 0.003 0.000 3.349 23 K HA -0.228 4.092 4.320 -0.000 0.000 0.310 23 K C -0.849 175.749 176.600 -0.003 0.000 1.267 23 K CA 0.661 56.949 56.287 0.000 0.000 0.920 23 K CB -2.350 30.149 32.500 -0.002 0.000 1.240 23 K HN 0.611 nan 8.250 nan 0.000 0.453 24 N N 0.164 118.863 118.700 -0.001 0.000 2.444 24 N HA 0.264 5.004 4.740 -0.000 0.000 0.255 24 N C 0.253 175.760 175.510 -0.006 0.000 1.255 24 N CA 0.741 53.789 53.050 -0.003 0.000 0.933 24 N CB 0.701 39.188 38.487 0.000 0.000 1.143 24 N HN 0.346 nan 8.380 nan 0.000 0.453 25 T N -1.765 112.783 114.554 -0.011 0.000 2.838 25 T HA 0.528 4.878 4.350 -0.000 0.000 0.292 25 T C -0.796 173.898 174.700 -0.011 0.000 1.113 25 T CA -1.063 61.027 62.100 -0.017 0.000 1.008 25 T CB 2.324 71.168 68.868 -0.039 0.000 1.259 25 T HN 0.547 nan 8.240 nan 0.000 0.520 26 R N 0.406 120.900 120.500 -0.010 0.000 2.621 26 R HA 0.474 4.814 4.340 -0.000 0.000 0.284 26 R C -1.775 174.526 176.300 0.001 0.000 0.998 26 R CA -0.560 55.542 56.100 0.003 0.000 0.895 26 R CB 1.593 31.905 30.300 0.021 0.000 1.195 26 R HN 0.696 nan 8.270 nan 0.000 0.450 27 D N 4.167 124.571 120.400 0.007 0.000 2.264 27 D HA 0.274 4.914 4.640 -0.000 0.000 0.250 27 D C 0.069 176.396 176.300 0.045 0.000 1.113 27 D CA -0.066 53.944 54.000 0.017 0.000 0.871 27 D CB 1.180 41.986 40.800 0.010 0.000 1.167 27 D HN 0.304 nan 8.370 nan 0.000 0.447 28 I N 3.262 123.882 120.570 0.083 0.000 2.392 28 I HA 0.400 4.570 4.170 -0.000 0.000 0.295 28 I C 0.623 176.796 176.117 0.093 0.000 0.985 28 I CA -0.812 60.551 61.300 0.105 0.000 1.221 28 I CB 1.002 39.110 38.000 0.180 0.000 1.366 28 I HN 0.328 nan 8.210 nan 0.000 0.467 29 I N 2.866 123.475 120.570 0.064 0.000 2.910 29 I HA 0.607 4.777 4.170 -0.000 0.000 0.310 29 I C -0.346 175.806 176.117 0.058 0.000 1.043 29 I CA -0.810 60.523 61.300 0.054 0.000 1.053 29 I CB 2.195 40.209 38.000 0.025 0.000 1.242 29 I HN 0.408 nan 8.210 nan 0.000 0.452 30 N N 4.764 123.507 118.700 0.071 0.000 2.439 30 N HA 0.410 5.150 4.740 -0.000 0.000 0.249 30 N C -1.920 173.632 175.510 0.071 0.000 1.003 30 N CA -2.752 50.355 53.050 0.096 0.000 0.942 30 N CB 1.335 39.912 38.487 0.151 0.000 1.115 30 N HN 0.434 nan 8.380 nan 0.000 0.505 31 P HA -0.133 nan 4.420 nan 0.000 0.225 31 P C 1.010 178.287 177.300 -0.039 0.000 1.148 31 P CA 0.752 63.835 63.100 -0.029 0.000 0.779 31 P CB 0.031 31.691 31.700 -0.066 0.000 0.780 32 Y N 3.224 123.501 120.300 -0.039 0.000 2.224 32 Y HA -0.170 4.380 4.550 -0.000 0.000 0.289 32 Y C 1.405 177.371 175.900 0.110 0.000 1.146 32 Y CA 2.216 60.336 58.100 0.033 0.000 1.182 32 Y CB -0.573 37.967 38.460 0.133 0.000 0.983 32 Y HN 0.043 nan 8.280 nan 0.000 0.524 33 N N -1.637 117.004 118.700 -0.099 0.000 2.118 33 N HA 0.048 4.788 4.740 -0.000 0.000 0.226 33 N C -0.075 175.404 175.510 -0.053 0.000 1.305 33 N CA 0.487 53.442 53.050 -0.159 0.000 0.890 33 N CB -0.223 38.228 38.487 -0.060 0.000 1.118 33 N HN 0.407 nan 8.380 nan 0.000 0.511 34 Q N -0.556 119.230 119.800 -0.023 0.000 2.468 34 Q HA -0.169 4.171 4.340 -0.000 0.000 0.256 34 Q C -1.027 174.978 176.000 0.009 0.000 0.984 34 Q CA 1.045 56.842 55.803 -0.011 0.000 1.110 34 Q CB -1.152 27.571 28.738 -0.024 0.000 1.527 34 Q HN 0.516 nan 8.270 nan 0.000 0.535 35 E N 0.392 120.610 120.200 0.029 0.000 2.313 35 E HA 0.289 4.639 4.350 -0.000 0.000 0.272 35 E C 0.118 176.748 176.600 0.050 0.000 1.038 35 E CA -0.477 55.946 56.400 0.038 0.000 0.863 35 E CB 1.322 31.052 29.700 0.050 0.000 1.060 35 E HN -0.013 nan 8.360 nan 0.000 0.402 36 V N 4.190 124.131 119.914 0.045 0.000 2.479 36 V HA -0.013 4.107 4.120 -0.000 0.000 0.281 36 V C 1.443 177.584 176.094 0.079 0.000 1.031 36 V CA 0.447 62.781 62.300 0.056 0.000 1.038 36 V CB -0.206 31.639 31.823 0.038 0.000 0.981 36 V HN 0.590 nan 8.190 nan 0.000 0.478 37 I N 1.428 122.067 120.570 0.115 0.000 4.070 37 I HA 0.517 4.687 4.170 -0.000 0.000 0.328 37 I C 0.135 176.414 176.117 0.269 0.000 1.298 37 I CA 0.449 61.837 61.300 0.147 0.000 1.173 37 I CB 0.530 38.604 38.000 0.123 0.000 1.051 37 I HN 0.460 nan 8.210 nan 0.000 0.409 38 F N 0.611 120.569 119.950 0.015 0.000 2.744 38 F HA 0.572 5.099 4.527 -0.000 0.000 0.311 38 F C -1.449 174.356 175.800 0.008 0.000 1.144 38 F CA -0.471 57.534 58.000 0.008 0.000 0.938 38 F CB 2.022 41.030 39.000 0.013 0.000 1.292 38 F HN -0.278 nan 8.300 nan 0.000 0.444 39 T N 3.780 118.054 114.554 -0.467 0.000 2.841 39 T HA 0.666 5.016 4.350 -0.000 0.000 0.285 39 T C -1.083 173.360 174.700 -0.428 0.000 0.991 39 T CA -0.585 61.328 62.100 -0.312 0.000 0.966 39 T CB 1.339 70.070 68.868 -0.228 0.000 0.962 39 T HN 0.684 nan 8.240 nan 0.000 0.438 40 V N 0.471 120.290 119.914 -0.158 0.000 3.046 40 V HA 0.802 4.922 4.120 -0.000 0.000 0.316 40 V C 0.191 176.270 176.094 -0.025 0.000 1.104 40 V CA -1.014 61.245 62.300 -0.068 0.000 1.006 40 V CB 1.885 33.760 31.823 0.086 0.000 1.058 40 V HN 0.762 nan 8.190 nan 0.000 0.440 41 S N 1.318 117.023 115.700 0.008 0.000 2.560 41 S HA 0.274 4.744 4.470 -0.000 0.000 0.284 41 S C -0.046 174.569 174.600 0.025 0.000 1.327 41 S CA 0.184 58.394 58.200 0.017 0.000 1.055 41 S CB 0.423 63.648 63.200 0.041 0.000 0.868 41 S HN 0.982 nan 8.310 nan 0.000 0.506 42 E N 1.694 121.903 120.200 0.016 0.000 2.183 42 E HA 0.466 4.816 4.350 -0.000 0.000 0.250 42 E C 0.368 176.977 176.600 0.015 0.000 0.901 42 E CA -0.385 56.026 56.400 0.019 0.000 0.741 42 E CB 0.295 30.003 29.700 0.014 0.000 1.182 42 E HN 0.648 nan 8.360 nan 0.000 0.425 43 G N 2.555 111.365 108.800 0.016 0.000 2.699 43 G HA2 0.318 4.278 3.960 -0.000 0.000 0.246 43 G HA3 0.318 4.278 3.960 -0.000 0.000 0.246 43 G C 0.069 174.974 174.900 0.009 0.000 1.219 43 G CA 0.184 45.290 45.100 0.010 0.000 0.866 43 G HN 0.573 nan 8.290 nan 0.000 0.572 44 T N -2.695 111.862 114.554 0.006 0.000 2.949 44 T HA 0.405 4.755 4.350 -0.000 0.000 0.287 44 T C 1.377 176.082 174.700 0.009 0.000 1.034 44 T CA -0.336 61.769 62.100 0.008 0.000 1.018 44 T CB 1.875 70.746 68.868 0.006 0.000 1.135 44 T HN 0.630 nan 8.240 nan 0.000 0.532 45 K N 0.284 120.693 120.400 0.014 0.000 2.209 45 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 45 K C 1.396 178.007 176.600 0.019 0.000 1.048 45 K CA 1.483 57.782 56.287 0.020 0.000 0.940 45 K CB -0.244 32.272 32.500 0.027 0.000 0.729 45 K HN 0.564 nan 8.250 nan 0.000 0.451 46 E N 1.458 121.665 120.200 0.013 0.000 2.152 46 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 46 E C 1.580 178.177 176.600 -0.005 0.000 0.983 46 E CA 1.226 57.632 56.400 0.009 0.000 0.818 46 E CB -0.075 29.629 29.700 0.008 0.000 0.758 46 E HN 0.342 nan 8.360 nan 0.000 0.467 47 D N 0.356 120.750 120.400 -0.010 0.000 2.097 47 D HA -0.133 4.507 4.640 -0.000 0.000 0.195 47 D C 1.896 178.174 176.300 -0.036 0.000 0.989 47 D CA 1.489 55.474 54.000 -0.025 0.000 0.827 47 D CB -0.332 40.455 40.800 -0.022 0.000 0.966 47 D HN 0.199 nan 8.370 nan 0.000 0.456 48 A N 1.031 123.837 122.820 -0.024 0.000 1.883 48 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 48 A C 2.142 179.690 177.584 -0.059 0.000 1.186 48 A CA 2.054 54.072 52.037 -0.031 0.000 0.624 48 A CB -0.680 18.317 19.000 -0.005 0.000 0.822 48 A HN 0.305 nan 8.150 nan 0.000 0.444 49 E N -0.573 119.604 120.200 -0.038 0.000 2.072 49 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 49 E C 2.251 178.787 176.600 -0.108 0.000 0.985 49 E CA 1.157 57.513 56.400 -0.075 0.000 0.801 49 E CB -0.138 29.588 29.700 0.043 0.000 0.750 49 E HN 0.580 nan 8.360 nan 0.000 0.452 50 R N -0.072 120.390 120.500 -0.063 0.000 2.081 50 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 50 R C 2.204 178.452 176.300 -0.086 0.000 1.131 50 R CA 1.379 57.441 56.100 -0.063 0.000 0.960 50 R CB -0.276 29.994 30.300 -0.049 0.000 0.856 50 R HN 0.236 nan 8.270 nan 0.000 0.436 51 A N 0.769 123.532 122.820 -0.094 0.000 1.898 51 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 51 A C 2.123 179.648 177.584 -0.100 0.000 1.181 51 A CA 1.308 53.287 52.037 -0.097 0.000 0.620 51 A CB -0.456 18.489 19.000 -0.092 0.000 0.819 51 A HN 0.345 nan 8.150 nan 0.000 0.442 52 I N -0.239 120.243 120.570 -0.147 0.000 2.226 52 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 52 I C 2.311 178.328 176.117 -0.168 0.000 1.100 52 I CA 1.142 62.326 61.300 -0.194 0.000 1.374 52 I CB -0.308 37.463 38.000 -0.381 0.000 1.057 52 I HN 0.293 nan 8.210 nan 0.000 0.413 53 L N 0.306 121.430 121.223 -0.165 0.000 2.093 53 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 53 L C 2.829 179.679 176.870 -0.032 0.000 1.085 53 L CA 1.139 55.932 54.840 -0.078 0.000 0.755 53 L CB -0.718 41.312 42.059 -0.048 0.000 0.904 53 L HN 0.234 nan 8.230 nan 0.000 0.435 54 A N 0.170 122.964 122.820 -0.044 0.000 1.898 54 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 54 A C 2.553 180.140 177.584 0.005 0.000 1.181 54 A CA 1.585 53.606 52.037 -0.026 0.000 0.620 54 A CB -0.606 18.359 19.000 -0.058 0.000 0.819 54 A HN 0.378 nan 8.150 nan 0.000 0.442 55 A N -0.090 122.730 122.820 0.000 0.000 1.902 55 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 55 A C 2.184 179.826 177.584 0.098 0.000 1.181 55 A CA 2.160 54.223 52.037 0.045 0.000 0.623 55 A CB -0.429 18.582 19.000 0.019 0.000 0.818 55 A HN 0.465 nan 8.150 nan 0.000 0.443 56 R N 0.103 120.639 120.500 0.061 0.000 2.066 56 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 56 R C 2.272 178.660 176.300 0.147 0.000 1.131 56 R CA 1.973 58.135 56.100 0.102 0.000 0.955 56 R CB -0.694 29.637 30.300 0.053 0.000 0.851 56 R HN 0.525 nan 8.270 nan 0.000 0.432 57 R N -0.217 120.338 120.500 0.092 0.000 2.083 57 R HA -0.102 4.238 4.340 -0.000 0.000 0.237 57 R C 1.986 178.345 176.300 0.100 0.000 1.137 57 R CA 1.693 57.842 56.100 0.082 0.000 0.951 57 R CB -0.477 29.851 30.300 0.046 0.000 0.851 57 R HN 0.333 nan 8.270 nan 0.000 0.434 58 A N 0.528 123.413 122.820 0.109 0.000 1.883 58 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 58 A C 2.015 179.699 177.584 0.166 0.000 1.186 58 A CA 1.455 53.566 52.037 0.123 0.000 0.624 58 A CB -0.872 18.200 19.000 0.121 0.000 0.822 58 A HN 0.515 nan 8.150 nan 0.000 0.444 59 F N 0.994 120.994 119.950 0.084 0.000 2.095 59 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 59 F C 2.294 178.141 175.800 0.078 0.000 1.104 59 F CA 2.220 60.278 58.000 0.097 0.000 1.232 59 F CB -0.060 38.992 39.000 0.085 0.000 0.987 59 F HN 0.228 nan 8.300 nan 0.000 0.475 60 E N 0.128 120.429 120.200 0.169 0.000 2.204 60 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 60 E C 2.435 179.025 176.600 -0.017 0.000 0.990 60 E CA 1.262 57.700 56.400 0.064 0.000 0.821 60 E CB -0.876 28.896 29.700 0.119 0.000 0.750 60 E HN 0.554 nan 8.360 nan 0.000 0.477 61 S N -0.390 115.313 115.700 0.005 0.000 2.399 61 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 61 S C 1.849 176.429 174.600 -0.033 0.000 1.022 61 S CA 1.392 59.593 58.200 0.001 0.000 0.983 61 S CB -0.280 62.938 63.200 0.030 0.000 0.803 61 S HN 0.354 nan 8.310 nan 0.000 0.480 62 G N 0.951 109.698 108.800 -0.087 0.000 2.179 62 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.260 62 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.260 62 G C 0.572 175.452 174.900 -0.034 0.000 0.977 62 G CA 0.670 45.696 45.100 -0.122 0.000 0.641 62 G HN 0.598 nan 8.290 nan 0.000 0.533 63 E N -1.080 119.146 120.200 0.044 0.000 2.160 63 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 63 E C 1.891 178.622 176.600 0.217 0.000 0.991 63 E CA 1.502 57.968 56.400 0.110 0.000 0.810 63 E CB -0.133 29.645 29.700 0.130 0.000 0.742 63 E HN 0.770 nan 8.360 nan 0.000 0.466 64 W N -0.093 121.208 121.300 0.003 0.000 2.850 64 W HA -0.014 4.646 4.660 0.000 0.000 0.260 64 W C 2.336 178.856 176.519 0.001 0.000 1.129 64 W CA 0.945 58.316 57.345 0.044 0.000 1.587 64 W CB -0.109 29.419 29.460 0.112 0.000 1.041 64 W HN 0.128 nan 8.180 nan 0.000 0.614 65 S N 0.286 115.956 115.700 -0.050 0.000 2.419 65 S HA -0.196 4.274 4.470 -0.000 0.000 0.233 65 S C 1.259 175.716 174.600 -0.237 0.000 1.016 65 S CA 1.057 59.122 58.200 -0.225 0.000 0.974 65 S CB -0.426 62.399 63.200 -0.626 0.000 0.786 65 S HN 0.254 nan 8.310 nan 0.000 0.492 66 Q N 0.561 120.243 119.800 -0.196 0.000 2.219 66 Q HA 0.375 4.715 4.340 -0.000 0.000 0.209 66 Q C 0.128 176.038 176.000 -0.150 0.000 0.854 66 Q CA 0.020 55.731 55.803 -0.154 0.000 0.960 66 Q CB 0.162 28.830 28.738 -0.116 0.000 1.116 66 Q HN 0.683 nan 8.270 nan 0.000 0.500 67 E N 2.037 122.111 120.200 -0.210 0.000 2.408 67 E HA 0.027 4.377 4.350 -0.000 0.000 0.259 67 E C -0.239 176.223 176.600 -0.231 0.000 1.110 67 E CA 0.070 56.338 56.400 -0.220 0.000 0.929 67 E CB 0.652 30.152 29.700 -0.332 0.000 0.971 67 E HN 0.136 nan 8.360 nan 0.000 0.438 68 T N 0.763 115.217 114.554 -0.166 0.000 2.918 68 T HA 0.379 4.729 4.350 -0.000 0.000 0.302 68 T C 1.150 175.751 174.700 -0.164 0.000 1.045 68 T CA -0.140 61.881 62.100 -0.132 0.000 1.114 68 T CB 1.332 70.150 68.868 -0.082 0.000 0.965 68 T HN 0.512 nan 8.240 nan 0.000 0.540 69 A N 1.206 123.951 122.820 -0.125 0.000 1.933 69 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 69 A C 2.299 179.835 177.584 -0.080 0.000 1.175 69 A CA 1.725 53.694 52.037 -0.113 0.000 0.628 69 A CB -1.008 17.952 19.000 -0.067 0.000 0.814 69 A HN 1.044 nan 8.150 nan 0.000 0.444 70 E N -0.778 119.386 120.200 -0.059 0.000 2.077 70 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 70 E C 1.883 178.468 176.600 -0.025 0.000 0.989 70 E CA 1.689 58.069 56.400 -0.033 0.000 0.800 70 E CB -0.108 29.575 29.700 -0.028 0.000 0.746 70 E HN 0.551 nan 8.360 nan 0.000 0.452 71 T N 0.457 114.982 114.554 -0.048 0.000 2.857 71 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 71 T C 1.781 176.479 174.700 -0.005 0.000 1.048 71 T CA 0.747 62.832 62.100 -0.025 0.000 1.139 71 T CB -0.103 68.742 68.868 -0.038 0.000 0.874 71 T HN 0.170 nan 8.240 nan 0.000 0.455 72 R N 0.583 121.004 120.500 -0.132 0.000 2.091 72 R HA -0.067 4.273 4.340 -0.000 0.000 0.238 72 R C 2.824 179.221 176.300 0.162 0.000 1.136 72 R CA 1.433 57.473 56.100 -0.100 0.000 0.959 72 R CB -0.776 29.289 30.300 -0.391 0.000 0.856 72 R HN 0.427 nan 8.270 nan 0.000 0.437 73 G N 1.497 110.344 108.800 0.078 0.000 2.418 73 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 73 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 73 G C 1.250 176.224 174.900 0.123 0.000 1.158 73 G CA 0.584 45.747 45.100 0.105 0.000 0.771 73 G HN 0.273 nan 8.290 nan 0.000 0.545 74 K N 0.206 120.664 120.400 0.096 0.000 2.147 74 K HA -0.009 4.311 4.320 -0.000 0.000 0.205 74 K C 2.524 179.193 176.600 0.115 0.000 1.049 74 K CA 0.850 57.188 56.287 0.085 0.000 0.936 74 K CB -0.029 32.503 32.500 0.052 0.000 0.722 74 K HN 0.085 nan 8.250 nan 0.000 0.446 75 K N 0.659 121.169 120.400 0.184 0.000 2.062 75 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 75 K C 2.136 178.902 176.600 0.277 0.000 1.051 75 K CA 0.897 57.303 56.287 0.198 0.000 0.941 75 K CB -0.243 32.446 32.500 0.315 0.000 0.719 75 K HN -0.017 nan 8.250 nan 0.000 0.440 76 V N 1.341 121.462 119.914 0.345 0.000 2.407 76 V HA -0.206 3.913 4.120 -0.000 0.000 0.248 76 V C 2.547 178.778 176.094 0.229 0.000 1.055 76 V CA 1.620 64.124 62.300 0.339 0.000 1.049 76 V CB -0.508 31.538 31.823 0.370 0.000 0.662 76 V HN 0.311 nan 8.190 nan 0.000 0.455 77 R N 0.195 120.796 120.500 0.168 0.000 2.096 77 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 77 R C 2.294 178.642 176.300 0.080 0.000 1.127 77 R CA 1.489 57.656 56.100 0.111 0.000 0.968 77 R CB -0.392 29.959 30.300 0.086 0.000 0.861 77 R HN 0.496 nan 8.270 nan 0.000 0.440 78 A N 0.921 123.784 122.820 0.071 0.000 1.902 78 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 78 A C 2.089 179.675 177.584 0.004 0.000 1.181 78 A CA 1.318 53.377 52.037 0.036 0.000 0.623 78 A CB -0.452 18.556 19.000 0.013 0.000 0.818 78 A HN 0.340 nan 8.150 nan 0.000 0.443 79 I N -0.155 120.397 120.570 -0.029 0.000 2.179 79 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 79 I C 3.009 178.966 176.117 -0.266 0.000 1.088 79 I CA 1.082 62.252 61.300 -0.216 0.000 1.357 79 I CB -0.471 37.256 38.000 -0.455 0.000 1.051 79 I HN 0.354 nan 8.210 nan 0.000 0.409 80 A N 0.749 123.475 122.820 -0.157 0.000 1.903 80 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 80 A C 1.950 179.678 177.584 0.241 0.000 1.191 80 A CA 2.457 54.513 52.037 0.031 0.000 0.638 80 A CB -0.744 18.245 19.000 -0.017 0.000 0.823 80 A HN 0.391 nan 8.150 nan 0.000 0.451 81 D N -0.400 120.099 120.400 0.165 0.000 2.178 81 D HA -0.095 4.545 4.640 -0.000 0.000 0.202 81 D C 1.917 178.263 176.300 0.076 0.000 0.974 81 D CA 0.980 55.071 54.000 0.152 0.000 0.841 81 D CB -0.181 40.676 40.800 0.095 0.000 0.953 81 D HN 0.303 nan 8.370 nan 0.000 0.478 82 K N 0.575 121.008 120.400 0.055 0.000 2.057 82 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 82 K C 2.109 178.793 176.600 0.139 0.000 1.049 82 K CA 0.386 56.729 56.287 0.093 0.000 0.931 82 K CB -0.289 32.242 32.500 0.052 0.000 0.714 82 K HN 0.209 nan 8.250 nan 0.000 0.440 83 I N 1.546 122.167 120.570 0.085 0.000 2.163 83 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 83 I C 2.443 178.622 176.117 0.104 0.000 1.085 83 I CA 1.339 62.709 61.300 0.117 0.000 1.347 83 I CB -0.853 37.236 38.000 0.148 0.000 1.044 83 I HN 0.249 nan 8.210 nan 0.000 0.408 84 K N 1.092 121.525 120.400 0.055 0.000 2.057 84 K HA -0.224 4.096 4.320 -0.000 0.000 0.206 84 K C 2.070 178.608 176.600 -0.104 0.000 1.050 84 K CA 1.483 57.711 56.287 -0.098 0.000 0.935 84 K CB -0.085 32.222 32.500 -0.321 0.000 0.715 84 K HN 0.269 nan 8.250 nan 0.000 0.439 85 E N -0.330 119.800 120.200 -0.118 0.000 2.160 85 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 85 E C 0.481 176.817 176.600 -0.440 0.000 0.991 85 E CA 1.020 57.253 56.400 -0.279 0.000 0.810 85 E CB 0.132 29.635 29.700 -0.329 0.000 0.742 85 E HN 0.454 nan 8.360 nan 0.000 0.466 86 H N -0.717 118.342 119.070 -0.019 0.000 2.467 86 H HA 0.150 4.706 4.556 -0.000 0.000 0.275 86 H C 1.249 176.582 175.328 0.008 0.000 1.131 86 H CA -0.161 55.880 56.048 -0.011 0.000 0.989 86 H CB 0.383 30.139 29.762 -0.009 0.000 1.696 86 H HN 0.160 nan 8.280 nan 0.000 0.574 87 R N 1.422 121.955 120.500 0.056 0.000 2.096 87 R HA -0.214 4.126 4.340 -0.000 0.000 0.240 87 R C 1.911 178.281 176.300 0.117 0.000 1.139 87 R CA 2.119 58.262 56.100 0.072 0.000 0.952 87 R CB 0.269 30.572 30.300 0.005 0.000 0.854 87 R HN 0.172 nan 8.270 nan 0.000 0.436 88 E N -0.014 120.236 120.200 0.083 0.000 2.047 88 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 88 E C 1.763 178.430 176.600 0.112 0.000 0.987 88 E CA 1.664 58.140 56.400 0.126 0.000 0.799 88 E CB -0.243 29.475 29.700 0.030 0.000 0.752 88 E HN 0.460 nan 8.360 nan 0.000 0.449 89 A N 0.520 123.390 122.820 0.083 0.000 1.877 89 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 89 A C 2.323 179.949 177.584 0.069 0.000 1.186 89 A CA 1.522 53.601 52.037 0.070 0.000 0.620 89 A CB -0.841 18.207 19.000 0.081 0.000 0.822 89 A HN 0.341 nan 8.150 nan 0.000 0.443 90 L N -0.822 120.453 121.223 0.086 0.000 2.046 90 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 90 L C 3.128 180.032 176.870 0.056 0.000 1.077 90 L CA 1.122 56.003 54.840 0.069 0.000 0.747 90 L CB -0.551 41.563 42.059 0.091 0.000 0.896 90 L HN 0.448 nan 8.230 nan 0.000 0.432 91 A N 0.020 122.887 122.820 0.079 0.000 1.902 91 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 91 A C 2.381 179.933 177.584 -0.052 0.000 1.181 91 A CA 1.582 53.628 52.037 0.015 0.000 0.623 91 A CB -0.487 18.562 19.000 0.081 0.000 0.818 91 A HN 0.320 nan 8.150 nan 0.000 0.443 92 R N -0.672 119.853 120.500 0.041 0.000 2.081 92 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 92 R C 2.087 178.471 176.300 0.139 0.000 1.131 92 R CA 1.409 57.597 56.100 0.148 0.000 0.960 92 R CB -0.501 29.937 30.300 0.230 0.000 0.856 92 R HN 0.512 nan 8.270 nan 0.000 0.436 93 L N 0.254 121.518 121.223 0.068 0.000 2.046 93 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 93 L C 2.437 179.309 176.870 0.003 0.000 1.077 93 L CA 1.228 56.087 54.840 0.032 0.000 0.747 93 L CB -0.328 41.726 42.059 -0.009 0.000 0.896 93 L HN 0.144 nan 8.230 nan 0.000 0.432 94 E N -0.194 119.990 120.200 -0.027 0.000 2.077 94 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 94 E C 2.064 178.589 176.600 -0.125 0.000 0.989 94 E CA 1.765 58.128 56.400 -0.062 0.000 0.800 94 E CB -0.061 29.596 29.700 -0.072 0.000 0.746 94 E HN 0.254 nan 8.360 nan 0.000 0.452 95 T N 0.484 114.915 114.554 -0.205 0.000 2.777 95 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 95 T C 1.788 176.369 174.700 -0.198 0.000 1.040 95 T CA 1.067 62.955 62.100 -0.354 0.000 1.141 95 T CB -0.227 68.191 68.868 -0.750 0.000 0.868 95 T HN 0.113 nan 8.240 nan 0.000 0.444 96 L N 0.743 121.972 121.223 0.010 0.000 2.012 96 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 96 L C 2.567 179.487 176.870 0.082 0.000 1.073 96 L CA 1.415 56.360 54.840 0.176 0.000 0.748 96 L CB -0.405 41.780 42.059 0.210 0.000 0.891 96 L HN 0.199 nan 8.230 nan 0.000 0.431 97 D N -1.024 119.397 120.400 0.036 0.000 2.162 97 D HA -0.128 4.512 4.640 -0.000 0.000 0.203 97 D C 2.056 178.378 176.300 0.037 0.000 0.967 97 D CA 1.719 55.741 54.000 0.038 0.000 0.840 97 D CB 0.250 41.068 40.800 0.030 0.000 0.972 97 D HN 0.344 nan 8.370 nan 0.000 0.482 98 T N -4.545 110.016 114.554 0.012 0.000 2.990 98 T HA 0.368 4.718 4.350 -0.000 0.000 0.250 98 T C 1.648 176.375 174.700 0.045 0.000 1.041 98 T CA 0.858 62.989 62.100 0.050 0.000 1.010 98 T CB 0.849 69.742 68.868 0.042 0.000 1.003 98 T HN 0.142 nan 8.240 nan 0.000 0.499 99 G N 2.577 111.358 108.800 -0.032 0.000 2.225 99 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.254 99 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.254 99 G C 0.140 174.975 174.900 -0.109 0.000 0.988 99 G CA 0.337 45.413 45.100 -0.041 0.000 0.625 99 G HN 1.032 nan 8.290 nan 0.000 0.527 100 K N 1.333 121.594 120.400 -0.231 0.000 2.380 100 K HA 0.438 4.758 4.320 -0.000 0.000 0.267 100 K C 0.866 177.269 176.600 -0.327 0.000 0.990 100 K CA 0.311 56.374 56.287 -0.373 0.000 0.946 100 K CB 0.056 32.087 32.500 -0.783 0.000 0.937 100 K HN 0.566 nan 8.250 nan 0.000 0.491 101 T N 0.121 114.517 114.554 -0.263 0.000 2.903 101 T HA -0.036 4.314 4.350 -0.000 0.000 0.314 101 T C 1.091 175.567 174.700 -0.373 0.000 1.078 101 T CA -0.702 61.237 62.100 -0.269 0.000 1.114 101 T CB 0.612 69.378 68.868 -0.170 0.000 0.987 101 T HN 0.592 nan 8.240 nan 0.000 0.548 102 L N 1.016 121.981 121.223 -0.430 0.000 2.046 102 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 102 L C 2.619 179.080 176.870 -0.681 0.000 1.077 102 L CA 1.757 56.245 54.840 -0.586 0.000 0.747 102 L CB -1.061 40.713 42.059 -0.474 0.000 0.896 102 L HN 0.736 nan 8.230 nan 0.000 0.432 103 E N -0.117 119.869 120.200 -0.357 0.000 2.118 103 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 103 E C 2.088 178.604 176.600 -0.141 0.000 0.992 103 E CA 1.419 57.741 56.400 -0.129 0.000 0.804 103 E CB -0.094 29.593 29.700 -0.021 0.000 0.741 103 E HN 0.651 nan 8.360 nan 0.000 0.458 104 E N 0.382 120.447 120.200 -0.224 0.000 2.077 104 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 104 E C 2.210 178.711 176.600 -0.164 0.000 0.989 104 E CA 1.120 57.389 56.400 -0.218 0.000 0.800 104 E CB -0.011 29.522 29.700 -0.279 0.000 0.746 104 E HN 0.031 nan 8.360 nan 0.000 0.452 105 S N 0.143 115.693 115.700 -0.250 0.000 2.382 105 S HA -0.153 4.317 4.470 -0.000 0.000 0.228 105 S C 1.668 176.241 174.600 -0.045 0.000 1.027 105 S CA 0.946 59.031 58.200 -0.191 0.000 0.991 105 S CB -0.268 62.761 63.200 -0.286 0.000 0.823 105 S HN 0.281 nan 8.310 nan 0.000 0.469 106 Y N 1.772 122.049 120.300 -0.038 0.000 2.181 106 Y HA -0.069 4.481 4.550 -0.000 0.000 0.288 106 Y C 2.681 178.582 175.900 0.001 0.000 1.146 106 Y CA 0.114 58.208 58.100 -0.011 0.000 1.164 106 Y CB -1.319 37.135 38.460 -0.011 0.000 0.982 106 Y HN 0.254 nan 8.280 nan 0.000 0.515 107 A N 0.198 123.105 122.820 0.145 0.000 1.908 107 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 107 A C 1.993 179.639 177.584 0.103 0.000 1.181 107 A CA 2.088 54.172 52.037 0.079 0.000 0.627 107 A CB -0.844 18.153 19.000 -0.004 0.000 0.818 107 A HN 0.363 nan 8.150 nan 0.000 0.445 108 D N -0.475 119.990 120.400 0.107 0.000 2.104 108 D HA -0.157 4.483 4.640 -0.000 0.000 0.194 108 D C 1.996 178.395 176.300 0.165 0.000 0.994 108 D CA 1.427 55.516 54.000 0.148 0.000 0.830 108 D CB -0.279 40.602 40.800 0.136 0.000 0.959 108 D HN 0.293 nan 8.370 nan 0.000 0.452 109 M N 0.587 120.280 119.600 0.156 0.000 2.229 109 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 109 M C 1.359 177.772 176.300 0.190 0.000 1.063 109 M CA 1.020 56.423 55.300 0.173 0.000 1.114 109 M CB -0.720 31.977 32.600 0.161 0.000 1.387 109 M HN -0.033 nan 8.290 nan 0.000 0.420 110 D N 0.872 121.369 120.400 0.162 0.000 2.117 110 D HA -0.141 4.499 4.640 -0.000 0.000 0.198 110 D C 1.594 178.022 176.300 0.213 0.000 0.982 110 D CA 1.130 55.225 54.000 0.158 0.000 0.828 110 D CB -0.237 40.625 40.800 0.102 0.000 0.967 110 D HN 0.278 nan 8.370 nan 0.000 0.464 111 D N 0.444 120.965 120.400 0.202 0.000 2.123 111 D HA -0.108 4.532 4.640 -0.000 0.000 0.196 111 D C 2.303 178.771 176.300 0.281 0.000 0.992 111 D CA 0.481 54.624 54.000 0.238 0.000 0.833 111 D CB -0.270 40.696 40.800 0.277 0.000 0.954 111 D HN 0.268 nan 8.370 nan 0.000 0.455 112 I N 0.183 120.930 120.570 0.295 0.000 2.226 112 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 112 I C 2.374 178.745 176.117 0.425 0.000 1.100 112 I CA 1.033 62.541 61.300 0.348 0.000 1.374 112 I CB -0.249 37.947 38.000 0.327 0.000 1.057 112 I HN 0.063 nan 8.210 nan 0.000 0.413 113 H N 1.481 120.716 119.070 0.275 0.000 2.319 113 H HA -0.187 4.369 4.556 -0.000 0.000 0.297 113 H C 2.010 177.493 175.328 0.259 0.000 1.097 113 H CA 2.083 58.281 56.048 0.249 0.000 1.285 113 H CB -0.056 29.797 29.762 0.152 0.000 1.368 113 H HN 0.218 nan 8.280 nan 0.000 0.495 114 N N -0.203 118.595 118.700 0.163 0.000 2.270 114 N HA -0.101 4.639 4.740 -0.000 0.000 0.181 114 N C 2.086 177.659 175.510 0.106 0.000 1.016 114 N CA 1.063 54.163 53.050 0.083 0.000 0.870 114 N CB -0.200 38.367 38.487 0.132 0.000 0.979 114 N HN 0.242 nan 8.380 nan 0.000 0.431 115 V N 0.728 120.740 119.914 0.163 0.000 2.295 115 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 115 V C 1.866 178.087 176.094 0.211 0.000 1.049 115 V CA 1.407 63.801 62.300 0.157 0.000 1.024 115 V CB -0.647 31.278 31.823 0.170 0.000 0.648 115 V HN 0.101 nan 8.190 nan 0.000 0.447 116 F N -1.241 118.821 119.950 0.188 0.000 2.171 116 F HA -0.177 4.350 4.527 0.000 0.000 0.300 116 F C 2.479 178.337 175.800 0.097 0.000 1.090 116 F CA 1.420 59.518 58.000 0.162 0.000 1.293 116 F CB -0.463 38.592 39.000 0.091 0.000 1.013 116 F HN 0.072 nan 8.300 nan 0.000 0.486 117 M N -1.183 118.497 119.600 0.134 0.000 2.086 117 M HA -0.260 4.220 4.480 -0.000 0.000 0.261 117 M C 2.220 178.554 176.300 0.056 0.000 1.067 117 M CA 1.660 56.975 55.300 0.025 0.000 1.116 117 M CB -1.535 30.995 32.600 -0.116 0.000 1.348 117 M HN 0.271 nan 8.290 nan 0.000 0.407 118 Y N 0.482 120.736 120.300 -0.078 0.000 2.128 118 Y HA -0.266 4.284 4.550 -0.000 0.000 0.284 118 Y C 2.066 177.825 175.900 -0.235 0.000 1.154 118 Y CA 1.852 59.829 58.100 -0.206 0.000 1.149 118 Y CB -0.554 37.692 38.460 -0.357 0.000 0.976 118 Y HN 0.033 nan 8.280 nan 0.000 0.505 119 F N -0.088 119.895 119.950 0.055 0.000 2.234 119 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 119 F C 2.565 178.348 175.800 -0.028 0.000 1.087 119 F CA 1.009 58.995 58.000 -0.023 0.000 1.340 119 F CB -1.162 37.862 39.000 0.040 0.000 1.031 119 F HN 0.167 nan 8.300 nan 0.000 0.500 120 A N 0.231 123.159 122.820 0.180 0.000 1.908 120 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 120 A C 2.569 180.168 177.584 0.025 0.000 1.181 120 A CA 1.903 54.018 52.037 0.129 0.000 0.627 120 A CB -1.554 17.525 19.000 0.132 0.000 0.818 120 A HN 0.393 nan 8.150 nan 0.000 0.445 121 G N -1.150 107.613 108.800 -0.063 0.000 2.484 121 G HA2 0.040 4.000 3.960 -0.000 0.000 0.218 121 G HA3 0.040 4.000 3.960 -0.000 0.000 0.218 121 G C 1.318 176.114 174.900 -0.173 0.000 1.130 121 G CA 0.989 46.016 45.100 -0.121 0.000 0.784 121 G HN 0.429 nan 8.290 nan 0.000 0.543 122 L N 0.901 121.983 121.223 -0.236 0.000 2.446 122 L HA 0.451 4.790 4.340 -0.000 0.000 0.219 122 L C 2.871 179.711 176.870 -0.050 0.000 1.116 122 L CA 1.101 55.819 54.840 -0.204 0.000 0.844 122 L CB -0.380 41.490 42.059 -0.316 0.000 0.970 122 L HN 0.185 nan 8.230 nan 0.000 0.457 123 A N 0.284 123.104 122.820 0.000 0.000 1.927 123 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 123 A C 1.541 179.124 177.584 -0.001 0.000 1.185 123 A CA 2.069 54.123 52.037 0.029 0.000 0.639 123 A CB -0.763 18.262 19.000 0.043 0.000 0.820 123 A HN 0.650 nan 8.150 nan 0.000 0.451 124 D N -2.287 118.103 120.400 -0.018 0.000 2.463 124 D HA 0.118 4.758 4.640 -0.000 0.000 0.224 124 D C 0.664 176.950 176.300 -0.023 0.000 1.174 124 D CA -0.068 53.919 54.000 -0.023 0.000 0.829 124 D CB 0.133 40.917 40.800 -0.026 0.000 0.993 124 D HN 0.169 nan 8.370 nan 0.000 0.497 125 K N 0.120 120.505 120.400 -0.024 0.000 2.367 125 K HA 0.131 4.451 4.320 -0.000 0.000 0.194 125 K C -0.211 176.382 176.600 -0.012 0.000 1.027 125 K CA 0.108 56.380 56.287 -0.025 0.000 1.075 125 K CB 0.760 33.234 32.500 -0.043 0.000 0.845 125 K HN 0.149 nan 8.250 nan 0.000 0.529 126 D N -0.729 119.669 120.400 -0.003 0.000 2.318 126 D HA 0.179 4.819 4.640 -0.000 0.000 0.233 126 D C 0.369 176.675 176.300 0.010 0.000 1.348 126 D CA -0.200 53.803 54.000 0.005 0.000 0.983 126 D CB 0.653 41.461 40.800 0.012 0.000 1.416 126 D HN 0.031 nan 8.370 nan 0.000 0.558 127 G N 1.351 110.154 108.800 0.005 0.000 3.042 127 G HA2 0.533 4.493 3.960 -0.000 0.000 0.212 127 G HA3 0.533 4.493 3.960 -0.000 0.000 0.212 127 G C 0.856 175.764 174.900 0.013 0.000 1.166 127 G CA 0.399 45.504 45.100 0.007 0.000 0.767 127 G HN 0.914 nan 8.290 nan 0.000 0.546 128 G N -0.170 108.638 108.800 0.013 0.000 2.298 128 G HA2 0.320 4.279 3.960 -0.000 0.000 0.309 128 G HA3 0.320 4.279 3.960 -0.000 0.000 0.309 128 G C -0.991 173.914 174.900 0.008 0.000 1.279 128 G CA -0.207 44.902 45.100 0.014 0.000 1.042 128 G HN 0.854 nan 8.290 nan 0.000 0.480 129 E N -1.550 118.655 120.200 0.007 0.000 2.408 129 E HA 0.719 5.069 4.350 -0.000 0.000 0.275 129 E C -0.791 175.812 176.600 0.005 0.000 0.935 129 E CA -1.255 55.146 56.400 0.002 0.000 0.775 129 E CB 1.592 31.288 29.700 -0.007 0.000 1.277 129 E HN 0.428 nan 8.360 nan 0.000 0.455 130 M N 2.130 121.732 119.600 0.004 0.000 2.188 130 M HA 0.382 4.862 4.480 -0.000 0.000 0.357 130 M C -0.627 175.672 176.300 -0.001 0.000 1.204 130 M CA -0.751 54.554 55.300 0.009 0.000 1.095 130 M CB 0.758 33.363 32.600 0.008 0.000 1.604 130 M HN 0.588 nan 8.290 nan 0.000 0.464 131 I N 2.089 122.659 120.570 0.001 0.000 2.412 131 I HA 0.211 4.381 4.170 -0.000 0.000 0.296 131 I C 0.239 176.355 176.117 -0.002 0.000 0.987 131 I CA -0.484 60.806 61.300 -0.017 0.000 1.180 131 I CB 1.489 39.459 38.000 -0.051 0.000 1.340 131 I HN 0.548 nan 8.210 nan 0.000 0.455 132 D N 4.813 125.209 120.400 -0.007 0.000 2.393 132 D HA 0.011 4.651 4.640 -0.000 0.000 0.232 132 D C 0.028 176.330 176.300 0.002 0.000 1.192 132 D CA 0.120 54.120 54.000 0.000 0.000 0.882 132 D CB 0.841 41.639 40.800 -0.002 0.000 1.038 132 D HN 0.434 nan 8.370 nan 0.000 0.499 133 S N 4.296 120.005 115.700 0.016 0.000 2.537 133 S HA 0.115 4.585 4.470 -0.000 0.000 0.286 133 S C -1.282 173.329 174.600 0.017 0.000 1.299 133 S CA -1.037 57.178 58.200 0.026 0.000 1.067 133 S CB 1.071 64.298 63.200 0.044 0.000 0.864 133 S HN 0.430 nan 8.310 nan 0.000 0.494 134 P HA 0.178 nan 4.420 nan 0.000 0.249 134 P C -0.224 177.085 177.300 0.014 0.000 1.229 134 P CA 0.355 63.462 63.100 0.011 0.000 0.788 134 P CB -0.049 31.655 31.700 0.008 0.000 1.072 135 I N 1.831 122.413 120.570 0.020 0.000 2.321 135 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 135 I C -2.322 173.805 176.117 0.016 0.000 0.998 135 I CA -2.949 58.362 61.300 0.018 0.000 1.227 135 I CB 1.188 39.201 38.000 0.022 0.000 1.368 135 I HN -0.286 nan 8.210 nan 0.000 0.466 136 P HA 0.008 nan 4.420 nan 0.000 0.267 136 P C -0.560 176.746 177.300 0.012 0.000 1.200 136 P CA 0.185 63.291 63.100 0.011 0.000 0.772 136 P CB 0.298 32.004 31.700 0.010 0.000 0.855 137 D N -0.677 119.729 120.400 0.011 0.000 2.689 137 D HA -0.123 4.517 4.640 -0.000 0.000 0.237 137 D C -0.218 176.088 176.300 0.010 0.000 1.148 137 D CA 1.462 55.468 54.000 0.009 0.000 0.656 137 D CB -1.564 39.241 40.800 0.008 0.000 1.050 137 D HN 0.559 nan 8.370 nan 0.000 0.426 138 T N -2.999 111.563 114.554 0.013 0.000 2.900 138 T HA 0.578 4.928 4.350 -0.000 0.000 0.303 138 T C -0.649 174.063 174.700 0.021 0.000 1.142 138 T CA -0.982 61.127 62.100 0.015 0.000 1.007 138 T CB 3.426 72.306 68.868 0.020 0.000 1.156 138 T HN 0.105 nan 8.240 nan 0.000 0.490 139 E N 0.824 121.037 120.200 0.022 0.000 2.171 139 E HA 0.533 4.883 4.350 -0.000 0.000 0.271 139 E C -1.257 175.375 176.600 0.053 0.000 0.916 139 E CA -0.717 55.702 56.400 0.030 0.000 0.774 139 E CB 1.671 31.383 29.700 0.020 0.000 1.128 139 E HN 0.678 nan 8.360 nan 0.000 0.403 140 S N 4.253 120.003 115.700 0.083 0.000 2.561 140 S HA 0.472 4.942 4.470 -0.000 0.000 0.303 140 S C -1.298 173.380 174.600 0.130 0.000 1.110 140 S CA -0.808 57.493 58.200 0.169 0.000 1.034 140 S CB 0.521 63.848 63.200 0.211 0.000 1.010 140 S HN 0.518 nan 8.310 nan 0.000 0.482 141 K N 3.599 124.103 120.400 0.174 0.000 2.477 141 K HA 0.602 4.922 4.320 -0.000 0.000 0.255 141 K C -1.424 175.264 176.600 0.146 0.000 0.952 141 K CA -1.072 55.281 56.287 0.111 0.000 0.826 141 K CB 1.101 33.640 32.500 0.065 0.000 1.331 141 K HN 0.395 nan 8.250 nan 0.000 0.437 142 I N 2.794 123.406 120.570 0.069 0.000 2.362 142 I HA 0.222 4.392 4.170 -0.000 0.000 0.289 142 I C -0.082 176.062 176.117 0.045 0.000 0.994 142 I CA -0.934 60.401 61.300 0.058 0.000 1.158 142 I CB 1.196 39.201 38.000 0.009 0.000 1.315 142 I HN 0.591 nan 8.210 nan 0.000 0.451 143 V N 4.152 124.096 119.914 0.051 0.000 2.459 143 V HA 0.599 4.719 4.120 -0.000 0.000 0.295 143 V C 0.033 176.150 176.094 0.039 0.000 1.029 143 V CA -0.921 61.401 62.300 0.037 0.000 0.874 143 V CB 1.762 33.606 31.823 0.033 0.000 0.985 143 V HN 0.474 nan 8.190 nan 0.000 0.438 144 K N 3.741 124.162 120.400 0.034 0.000 2.276 144 K HA 0.555 4.875 4.320 -0.000 0.000 0.283 144 K C -0.185 176.444 176.600 0.049 0.000 1.044 144 K CA 0.154 56.466 56.287 0.041 0.000 0.944 144 K CB 1.293 33.817 32.500 0.039 0.000 1.012 144 K HN 0.922 nan 8.250 nan 0.000 0.472 145 E N 2.655 122.895 120.200 0.067 0.000 2.369 145 E HA 0.357 4.707 4.350 -0.000 0.000 0.270 145 E C -2.485 174.191 176.600 0.127 0.000 0.909 145 E CA -2.268 54.188 56.400 0.092 0.000 0.775 145 E CB 1.973 31.738 29.700 0.109 0.000 1.270 145 E HN 0.255 nan 8.360 nan 0.000 0.445 146 P HA -0.080 nan 4.420 nan 0.000 0.269 146 P C 0.730 178.140 177.300 0.183 0.000 1.209 146 P CA 0.123 63.361 63.100 0.231 0.000 0.776 146 P CB 0.888 32.813 31.700 0.375 0.000 0.876 147 V N 2.021 121.996 119.914 0.101 0.000 2.515 147 V HA 0.009 4.129 4.120 -0.000 0.000 0.250 147 V C 1.202 177.212 176.094 -0.140 0.000 1.058 147 V CA 2.801 65.100 62.300 -0.002 0.000 1.064 147 V CB -0.996 30.807 31.823 -0.033 0.000 0.675 147 V HN 1.013 nan 8.190 nan 0.000 0.461 148 G N -1.169 107.461 108.800 -0.284 0.000 2.113 148 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.082 148 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.082 148 G C -0.661 173.870 174.900 -0.616 0.000 1.155 148 G CA -0.102 44.450 45.100 -0.913 0.000 1.241 148 G HN 0.461 nan 8.290 nan 0.000 0.453 149 V N 1.821 121.486 119.914 -0.414 0.000 2.432 149 V HA 0.591 4.711 4.120 -0.000 0.000 0.275 149 V C 0.588 176.644 176.094 -0.063 0.000 1.043 149 V CA 0.089 62.289 62.300 -0.166 0.000 0.925 149 V CB 0.814 32.563 31.823 -0.123 0.000 0.985 149 V HN 1.517 nan 8.190 nan 0.000 0.466 150 V N 2.176 122.103 119.914 0.020 0.000 2.656 150 V HA 0.880 5.000 4.120 -0.000 0.000 0.307 150 V C -0.120 176.023 176.094 0.082 0.000 1.051 150 V CA -0.435 61.907 62.300 0.070 0.000 0.893 150 V CB 1.878 33.819 31.823 0.197 0.000 0.999 150 V HN 0.880 nan 8.190 nan 0.000 0.426 151 T N 2.193 116.790 114.554 0.072 0.000 2.859 151 T HA 0.762 5.112 4.350 -0.000 0.000 0.281 151 T C -0.585 174.182 174.700 0.113 0.000 1.005 151 T CA -0.570 61.577 62.100 0.078 0.000 1.025 151 T CB 1.610 70.511 68.868 0.056 0.000 0.977 151 T HN 0.889 nan 8.240 nan 0.000 0.458 152 Q N 1.974 121.848 119.800 0.123 0.000 2.274 152 Q HA 0.590 4.930 4.340 -0.000 0.000 0.268 152 Q C -1.213 174.869 176.000 0.138 0.000 1.015 152 Q CA -0.560 55.329 55.803 0.143 0.000 0.775 152 Q CB 2.535 31.360 28.738 0.145 0.000 1.256 152 Q HN 0.701 nan 8.270 nan 0.000 0.442 153 I N 2.075 122.745 120.570 0.166 0.000 2.466 153 I HA 0.440 4.610 4.170 -0.000 0.000 0.289 153 I C -0.161 176.008 176.117 0.088 0.000 1.026 153 I CA -0.562 60.853 61.300 0.191 0.000 1.078 153 I CB 2.103 40.314 38.000 0.352 0.000 1.249 153 I HN 0.604 nan 8.210 nan 0.000 0.429 154 T N 3.491 118.066 114.554 0.034 0.000 2.930 154 T HA 0.740 5.090 4.350 -0.000 0.000 0.290 154 T C -2.852 171.793 174.700 -0.092 0.000 1.052 154 T CA -2.018 60.032 62.100 -0.083 0.000 1.017 154 T CB 2.440 71.279 68.868 -0.048 0.000 1.137 154 T HN 0.252 nan 8.240 nan 0.000 0.511 155 P HA 0.376 nan 4.420 nan 0.000 0.307 155 P C 0.475 177.676 177.300 -0.167 0.000 1.307 155 P CA -0.944 61.992 63.100 -0.273 0.000 0.814 155 P CB 1.243 32.626 31.700 -0.529 0.000 1.311 156 W N 0.187 121.479 121.300 -0.014 0.000 3.290 156 W HA 0.095 4.755 4.660 0.000 0.000 0.287 156 W C 0.839 177.361 176.519 0.006 0.000 1.288 156 W CA 0.312 57.655 57.345 -0.003 0.000 1.725 156 W CB -1.517 27.935 29.460 -0.014 0.000 1.103 156 W HN 0.366 nan 8.180 nan 0.000 0.670 157 N N 0.840 119.476 118.700 -0.105 0.000 2.220 157 N HA -0.140 4.600 4.740 -0.000 0.000 0.182 157 N C -0.016 175.441 175.510 -0.088 0.000 1.023 157 N CA 0.602 53.667 53.050 0.025 0.000 0.856 157 N CB -0.728 37.660 38.487 -0.163 0.000 0.997 157 N HN 0.005 nan 8.380 nan 0.000 0.429 158 Y N 0.197 120.478 120.300 -0.031 0.000 2.562 158 Y HA 0.431 4.981 4.550 0.000 0.000 0.363 158 Y C -2.024 173.799 175.900 -0.128 0.000 0.991 158 Y CA -2.187 55.863 58.100 -0.083 0.000 1.121 158 Y CB 1.706 40.051 38.460 -0.191 0.000 1.159 158 Y HN 0.073 nan 8.280 nan 0.000 0.651 159 P HA -0.215 nan 4.420 nan 0.000 0.214 159 P C 1.793 179.100 177.300 0.011 0.000 1.163 159 P CA 1.133 64.245 63.100 0.021 0.000 0.883 159 P CB 0.526 32.260 31.700 0.058 0.000 0.788 160 L N -1.445 119.799 121.223 0.036 0.000 2.156 160 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 160 L C 2.176 179.056 176.870 0.017 0.000 1.095 160 L CA 1.353 56.229 54.840 0.061 0.000 0.770 160 L CB -1.463 40.653 42.059 0.094 0.000 0.914 160 L HN -0.161 nan 8.230 nan 0.000 0.439 161 L N -0.557 120.641 121.223 -0.043 0.000 1.994 161 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 161 L C 2.454 178.985 176.870 -0.565 0.000 1.071 161 L CA 1.849 56.564 54.840 -0.208 0.000 0.745 161 L CB -0.609 41.305 42.059 -0.243 0.000 0.892 161 L HN 0.380 nan 8.230 nan 0.000 0.431 162 Q N -0.733 118.740 119.800 -0.545 0.000 2.124 162 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 162 Q C 2.252 178.108 176.000 -0.240 0.000 0.977 162 Q CA 1.545 57.003 55.803 -0.575 0.000 0.850 162 Q CB -0.395 28.097 28.738 -0.410 0.000 0.901 162 Q HN 0.697 nan 8.270 nan 0.000 0.429 163 A N 1.007 123.762 122.820 -0.107 0.000 1.902 163 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 163 A C 2.266 179.855 177.584 0.009 0.000 1.181 163 A CA 1.792 53.834 52.037 0.007 0.000 0.623 163 A CB -0.787 18.264 19.000 0.084 0.000 0.818 163 A HN 0.460 nan 8.150 nan 0.000 0.443 164 S N -1.504 114.199 115.700 0.004 0.000 2.382 164 S HA -0.205 4.265 4.470 -0.000 0.000 0.228 164 S C 1.701 176.246 174.600 -0.092 0.000 1.027 164 S CA 1.353 59.494 58.200 -0.099 0.000 0.991 164 S CB -0.733 62.481 63.200 0.023 0.000 0.823 164 S HN 0.634 nan 8.310 nan 0.000 0.469 165 W N 2.496 123.674 121.300 -0.203 0.000 2.392 165 W HA 0.185 4.845 4.660 0.000 0.000 0.279 165 W C 2.352 178.739 176.519 -0.220 0.000 1.225 165 W CA 0.361 57.603 57.345 -0.171 0.000 1.233 165 W CB -0.412 28.982 29.460 -0.110 0.000 1.122 165 W HN 0.453 nan 8.180 nan 0.000 0.561 166 K N -0.750 119.667 120.400 0.028 0.000 2.190 166 K HA 0.081 4.401 4.320 -0.000 0.000 0.202 166 K C 1.938 178.373 176.600 -0.274 0.000 1.045 166 K CA 0.773 57.040 56.287 -0.034 0.000 0.976 166 K CB -0.485 32.069 32.500 0.090 0.000 0.849 166 K HN 0.014 nan 8.250 nan 0.000 0.468 167 I N 1.845 122.298 120.570 -0.195 0.000 2.179 167 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 167 I C 2.595 178.531 176.117 -0.302 0.000 1.088 167 I CA 1.183 62.363 61.300 -0.200 0.000 1.357 167 I CB -0.425 37.553 38.000 -0.036 0.000 1.051 167 I HN 0.143 nan 8.210 nan 0.000 0.409 168 A N 1.666 124.194 122.820 -0.487 0.000 1.865 168 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 168 A C 0.126 177.410 177.584 -0.500 0.000 1.191 168 A CA 2.020 53.770 52.037 -0.477 0.000 0.623 168 A CB -2.066 16.536 19.000 -0.663 0.000 0.826 168 A HN 0.299 nan 8.150 nan 0.000 0.444 169 P HA -0.061 nan 4.420 nan 0.000 0.219 169 P C 1.603 178.522 177.300 -0.634 0.000 1.150 169 P CA 1.766 64.344 63.100 -0.871 0.000 0.814 169 P CB -0.161 30.924 31.700 -1.024 0.000 0.787 170 A N 0.617 122.887 122.820 -0.917 0.000 1.865 170 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 170 A C 2.438 179.970 177.584 -0.086 0.000 1.191 170 A CA 1.573 53.263 52.037 -0.579 0.000 0.623 170 A CB -1.643 17.070 19.000 -0.478 0.000 0.826 170 A HN 0.116 nan 8.150 nan 0.000 0.444 171 L N -0.916 120.288 121.223 -0.033 0.000 2.056 171 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 171 L C 3.110 180.226 176.870 0.411 0.000 1.078 171 L CA 0.947 55.952 54.840 0.276 0.000 0.749 171 L CB -0.621 41.513 42.059 0.124 0.000 0.901 171 L HN 0.444 nan 8.230 nan 0.000 0.433 172 A N 0.344 123.280 122.820 0.194 0.000 1.940 172 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 172 A C 2.383 180.022 177.584 0.092 0.000 1.176 172 A CA 2.442 54.579 52.037 0.166 0.000 0.631 172 A CB -0.948 18.139 19.000 0.145 0.000 0.814 172 A HN 0.539 nan 8.150 nan 0.000 0.446 173 T N -4.779 109.828 114.554 0.089 0.000 3.067 173 T HA 0.389 4.739 4.350 -0.000 0.000 0.261 173 T C 1.364 176.107 174.700 0.072 0.000 1.110 173 T CA 1.175 63.325 62.100 0.083 0.000 1.113 173 T CB 0.138 69.087 68.868 0.135 0.000 0.917 173 T HN 1.754 nan 8.240 nan 0.000 0.499 174 G N 0.232 109.103 108.800 0.118 0.000 2.138 174 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.193 174 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.193 174 G C 0.196 175.352 174.900 0.427 0.000 0.998 174 G CA -0.397 44.745 45.100 0.071 0.000 0.668 174 G HN 0.708 nan 8.290 nan 0.000 0.516 175 C N 0.863 120.419 119.300 0.427 0.000 2.649 175 C HA 0.692 5.152 4.460 -0.000 0.000 0.377 175 C C 1.346 176.588 174.990 0.420 0.000 1.321 175 C CA 0.096 59.364 59.018 0.418 0.000 2.368 175 C CB 1.160 29.060 27.740 0.266 0.000 2.597 175 C HN 0.572 nan 8.230 nan 0.000 0.678 176 S N 0.894 116.797 115.700 0.338 0.000 2.565 176 S HA 0.763 5.233 4.470 -0.000 0.000 0.290 176 S C -0.606 174.058 174.600 0.108 0.000 1.150 176 S CA -0.527 57.797 58.200 0.207 0.000 1.058 176 S CB 1.035 64.371 63.200 0.226 0.000 1.032 176 S HN 0.561 nan 8.310 nan 0.000 0.510 177 L N 0.169 121.431 121.223 0.064 0.000 2.371 177 L HA 0.937 5.277 4.340 -0.000 0.000 0.262 177 L C -1.232 175.684 176.870 0.076 0.000 1.006 177 L CA -0.895 53.987 54.840 0.069 0.000 0.818 177 L CB 1.489 43.581 42.059 0.056 0.000 1.354 177 L HN 0.327 nan 8.230 nan 0.000 0.415 178 V N 3.097 123.056 119.914 0.074 0.000 2.409 178 V HA 0.572 4.692 4.120 -0.000 0.000 0.290 178 V C -0.136 176.009 176.094 0.084 0.000 1.017 178 V CA -0.266 62.069 62.300 0.059 0.000 0.841 178 V CB 1.355 33.184 31.823 0.009 0.000 1.003 178 V HN 0.978 nan 8.190 nan 0.000 0.426 179 M N 4.816 124.480 119.600 0.108 0.000 2.508 179 M HA 0.631 5.111 4.480 -0.000 0.000 0.327 179 M C -0.915 175.407 176.300 0.038 0.000 1.160 179 M CA -0.526 54.844 55.300 0.118 0.000 0.980 179 M CB 1.855 34.599 32.600 0.240 0.000 1.693 179 M HN 0.575 nan 8.290 nan 0.000 0.452 180 K N 6.278 126.716 120.400 0.063 0.000 2.579 180 K HA 0.557 4.877 4.320 -0.000 0.000 0.250 180 K C -2.910 173.735 176.600 0.076 0.000 0.952 180 K CA -1.642 54.674 56.287 0.048 0.000 0.857 180 K CB 2.066 34.600 32.500 0.056 0.000 1.123 180 K HN 0.376 nan 8.250 nan 0.000 0.433 181 P HA 0.028 nan 4.420 nan 0.000 0.276 181 P C -0.393 176.967 177.300 0.100 0.000 1.261 181 P CA -0.449 62.703 63.100 0.087 0.000 0.800 181 P CB 0.952 32.708 31.700 0.094 0.000 1.066 182 S N 0.517 116.287 115.700 0.116 0.000 2.563 182 S HA -0.048 4.422 4.470 -0.000 0.000 0.294 182 S C 1.604 176.286 174.600 0.137 0.000 1.279 182 S CA -0.263 58.031 58.200 0.157 0.000 1.069 182 S CB -0.207 63.139 63.200 0.243 0.000 0.828 182 S HN 0.491 nan 8.310 nan 0.000 0.497 183 E N 5.358 125.630 120.200 0.121 0.000 2.265 183 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 183 E C 1.662 178.315 176.600 0.089 0.000 0.996 183 E CA 1.555 58.010 56.400 0.093 0.000 0.832 183 E CB -0.629 29.114 29.700 0.072 0.000 0.756 183 E HN 0.944 nan 8.360 nan 0.000 0.491 184 I N -0.174 120.453 120.570 0.095 0.000 3.419 184 I HA 0.116 4.285 4.170 -0.000 0.000 0.286 184 I C 0.641 176.812 176.117 0.089 0.000 1.268 184 I CA 0.834 62.173 61.300 0.066 0.000 1.414 184 I CB -0.025 37.973 38.000 -0.004 0.000 1.074 184 I HN -0.029 nan 8.210 nan 0.000 0.457 185 T N -1.312 113.317 114.554 0.125 0.000 3.542 185 T HA 0.438 4.788 4.350 -0.000 0.000 0.276 185 T C -2.084 172.683 174.700 0.112 0.000 1.412 185 T CA -1.105 61.068 62.100 0.122 0.000 1.664 185 T CB 0.880 69.843 68.868 0.159 0.000 0.863 185 T HN 0.099 nan 8.240 nan 0.000 0.661 186 P HA 0.275 nan 4.420 nan 0.000 0.257 186 P C 1.525 178.885 177.300 0.100 0.000 1.241 186 P CA -0.254 62.914 63.100 0.113 0.000 0.816 186 P CB 0.379 32.158 31.700 0.132 0.000 1.150 187 L N 0.603 121.862 121.223 0.060 0.000 1.994 187 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 187 L C 2.669 179.545 176.870 0.010 0.000 1.071 187 L CA 2.612 57.446 54.840 -0.011 0.000 0.745 187 L CB -1.959 40.048 42.059 -0.086 0.000 0.892 187 L HN 0.097 nan 8.230 nan 0.000 0.431 188 T N -4.878 109.697 114.554 0.035 0.000 2.951 188 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 188 T C 1.743 176.506 174.700 0.105 0.000 1.073 188 T CA 1.418 63.549 62.100 0.052 0.000 1.134 188 T CB -0.506 68.393 68.868 0.052 0.000 0.884 188 T HN 0.202 nan 8.240 nan 0.000 0.479 189 T N 2.053 116.690 114.554 0.137 0.000 2.857 189 T HA 0.199 4.549 4.350 -0.000 0.000 0.266 189 T C 1.891 176.778 174.700 0.312 0.000 1.048 189 T CA 0.828 63.062 62.100 0.223 0.000 1.139 189 T CB -0.372 68.615 68.868 0.197 0.000 0.874 189 T HN 0.371 nan 8.240 nan 0.000 0.455 190 I N 0.895 121.600 120.570 0.225 0.000 2.163 190 I HA -0.192 3.978 4.170 -0.000 0.000 0.243 190 I C 2.790 179.061 176.117 0.256 0.000 1.085 190 I CA 1.204 62.670 61.300 0.278 0.000 1.347 190 I CB -0.248 37.866 38.000 0.190 0.000 1.044 190 I HN 0.062 nan 8.210 nan 0.000 0.408 191 R N 0.757 121.328 120.500 0.120 0.000 2.081 191 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 191 R C 2.182 178.521 176.300 0.063 0.000 1.131 191 R CA 1.496 57.621 56.100 0.042 0.000 0.960 191 R CB -0.912 29.377 30.300 -0.018 0.000 0.856 191 R HN 0.235 nan 8.270 nan 0.000 0.436 192 V N -0.085 119.891 119.914 0.103 0.000 2.515 192 V HA -0.153 3.967 4.120 -0.000 0.000 0.250 192 V C 1.627 177.714 176.094 -0.012 0.000 1.058 192 V CA 1.642 63.961 62.300 0.031 0.000 1.064 192 V CB -0.436 31.411 31.823 0.040 0.000 0.675 192 V HN 0.313 nan 8.190 nan 0.000 0.461 193 F N 0.793 120.766 119.950 0.039 0.000 2.186 193 F HA -0.096 4.431 4.527 -0.000 0.000 0.299 193 F C 2.384 178.196 175.800 0.021 0.000 1.090 193 F CA 1.982 59.972 58.000 -0.017 0.000 1.307 193 F CB -0.288 38.703 39.000 -0.016 0.000 1.019 193 F HN 0.243 nan 8.300 nan 0.000 0.489 194 E N 0.202 120.595 120.200 0.322 0.000 2.085 194 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 194 E C 2.262 178.892 176.600 0.049 0.000 0.994 194 E CA 1.466 57.990 56.400 0.206 0.000 0.801 194 E CB -0.396 29.322 29.700 0.029 0.000 0.743 194 E HN 0.408 nan 8.360 nan 0.000 0.453 195 L N 0.136 121.347 121.223 -0.020 0.000 2.093 195 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 195 L C 2.596 179.445 176.870 -0.035 0.000 1.085 195 L CA 0.887 55.696 54.840 -0.052 0.000 0.755 195 L CB -0.321 41.690 42.059 -0.081 0.000 0.904 195 L HN 0.200 nan 8.230 nan 0.000 0.435 196 M N -0.547 119.004 119.600 -0.081 0.000 2.159 196 M HA -0.224 4.256 4.480 -0.000 0.000 0.263 196 M C 2.259 178.616 176.300 0.095 0.000 1.063 196 M CA 1.642 56.926 55.300 -0.027 0.000 1.110 196 M CB -0.409 32.009 32.600 -0.303 0.000 1.374 196 M HN 0.270 nan 8.290 nan 0.000 0.411 197 E N 0.980 121.177 120.200 -0.005 0.000 2.077 197 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 197 E C 1.634 178.274 176.600 0.067 0.000 0.989 197 E CA 1.487 57.911 56.400 0.040 0.000 0.800 197 E CB 0.040 29.740 29.700 -0.001 0.000 0.746 197 E HN 0.544 nan 8.360 nan 0.000 0.452 198 E N -0.008 120.220 120.200 0.045 0.000 2.118 198 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 198 E C 2.230 178.825 176.600 -0.009 0.000 0.992 198 E CA 1.404 57.820 56.400 0.026 0.000 0.804 198 E CB 0.032 29.745 29.700 0.022 0.000 0.741 198 E HN 0.175 nan 8.360 nan 0.000 0.458 199 V N 0.175 120.077 119.914 -0.020 0.000 2.343 199 V HA -0.105 4.015 4.120 -0.000 0.000 0.247 199 V C 1.093 177.032 176.094 -0.259 0.000 1.051 199 V CA 1.360 63.596 62.300 -0.108 0.000 1.036 199 V CB -0.850 30.930 31.823 -0.073 0.000 0.654 199 V HN 0.520 nan 8.190 nan 0.000 0.451 200 G N -0.332 108.311 108.800 -0.262 0.000 3.445 200 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.686 200 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.686 200 G C -0.991 173.505 174.900 -0.674 0.000 1.113 200 G CA -0.740 44.188 45.100 -0.287 0.000 0.974 200 G HN 0.184 nan 8.290 nan 0.000 0.492 201 F N 2.341 122.219 119.950 -0.120 0.000 2.599 201 F HA 0.692 5.219 4.527 -0.000 0.000 0.311 201 F C -1.937 173.801 175.800 -0.105 0.000 1.076 201 F CA -2.116 55.746 58.000 -0.229 0.000 0.937 201 F CB 2.332 41.091 39.000 -0.402 0.000 1.282 201 F HN 0.315 nan 8.300 nan 0.000 0.460 202 P HA 0.030 nan 4.420 nan 0.000 0.269 202 P C -0.817 176.533 177.300 0.084 0.000 1.215 202 P CA -0.493 62.669 63.100 0.102 0.000 0.780 202 P CB 0.539 32.327 31.700 0.147 0.000 0.898 203 K N 1.567 122.003 120.400 0.060 0.000 2.504 203 K HA 0.089 4.409 4.320 -0.000 0.000 0.278 203 K C 1.207 177.816 176.600 0.014 0.000 1.025 203 K CA 1.309 57.610 56.287 0.023 0.000 1.093 203 K CB -0.816 31.689 32.500 0.008 0.000 0.873 203 K HN 0.790 nan 8.250 nan 0.000 0.483 204 G N 2.751 111.539 108.800 -0.020 0.000 2.225 204 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.254 204 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.254 204 G C 0.945 175.858 174.900 0.022 0.000 0.988 204 G CA 0.580 45.672 45.100 -0.013 0.000 0.625 204 G HN 0.677 nan 8.290 nan 0.000 0.527 205 T N 0.677 115.244 114.554 0.022 0.000 2.788 205 T HA 0.180 4.530 4.350 -0.000 0.000 0.268 205 T C 1.322 175.984 174.700 -0.064 0.000 1.044 205 T CA 1.470 63.559 62.100 -0.019 0.000 1.139 205 T CB -0.154 68.621 68.868 -0.154 0.000 0.867 205 T HN 1.124 nan 8.240 nan 0.000 0.454 206 I N -0.406 120.144 120.570 -0.033 0.000 2.509 206 I HA 0.694 4.864 4.170 -0.000 0.000 0.293 206 I C -1.641 174.631 176.117 0.259 0.000 1.020 206 I CA -1.242 60.094 61.300 0.059 0.000 1.088 206 I CB 2.143 40.068 38.000 -0.126 0.000 1.267 206 I HN -0.168 nan 8.210 nan 0.000 0.430 207 N N 5.149 124.021 118.700 0.287 0.000 2.264 207 N HA 0.669 5.409 4.740 -0.000 0.000 0.288 207 N C -1.755 173.705 175.510 -0.084 0.000 1.094 207 N CA -0.649 52.466 53.050 0.109 0.000 0.817 207 N CB 2.610 41.078 38.487 -0.031 0.000 1.604 207 N HN 0.658 nan 8.380 nan 0.000 0.473 208 L N 2.153 123.114 121.223 -0.436 0.000 2.343 208 L HA 0.634 4.974 4.340 -0.000 0.000 0.278 208 L C -1.601 175.090 176.870 -0.300 0.000 0.996 208 L CA -0.553 53.880 54.840 -0.678 0.000 0.831 208 L CB 0.757 42.044 42.059 -1.287 0.000 1.232 208 L HN 0.494 nan 8.230 nan 0.000 0.413 209 I N 6.165 126.630 120.570 -0.174 0.000 2.412 209 I HA 0.390 4.560 4.170 -0.000 0.000 0.296 209 I C -0.452 175.638 176.117 -0.044 0.000 0.987 209 I CA -0.494 60.757 61.300 -0.082 0.000 1.180 209 I CB 1.678 39.651 38.000 -0.045 0.000 1.340 209 I HN 0.559 nan 8.210 nan 0.000 0.455 210 L N 5.432 126.649 121.223 -0.010 0.000 2.333 210 L HA 0.880 5.220 4.340 -0.000 0.000 0.280 210 L C 0.235 177.122 176.870 0.029 0.000 1.004 210 L CA -0.284 54.570 54.840 0.023 0.000 0.820 210 L CB 1.893 43.981 42.059 0.048 0.000 1.247 210 L HN 0.808 nan 8.230 nan 0.000 0.416 211 G N 1.534 110.358 108.800 0.039 0.000 2.316 211 G HA2 0.467 4.427 3.960 -0.000 0.000 0.296 211 G HA3 0.467 4.427 3.960 -0.000 0.000 0.296 211 G C -1.623 173.304 174.900 0.045 0.000 1.399 211 G CA -0.286 44.836 45.100 0.037 0.000 0.833 211 G HN 0.710 nan 8.290 nan 0.000 0.565 212 A N -0.320 122.523 122.820 0.038 0.000 2.477 212 A HA 0.573 4.893 4.320 -0.000 0.000 0.246 212 A C 1.778 179.385 177.584 0.038 0.000 1.078 212 A CA 1.189 53.249 52.037 0.039 0.000 0.770 212 A CB 0.500 19.516 19.000 0.027 0.000 1.011 212 A HN 2.197 nan 8.150 nan 0.000 0.494 213 G N 0.940 109.768 108.800 0.046 0.000 2.432 213 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 213 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 213 G C 1.647 176.553 174.900 0.010 0.000 1.135 213 G CA 1.374 46.497 45.100 0.038 0.000 0.767 213 G HN 1.274 nan 8.290 nan 0.000 0.550 214 S N -0.473 115.226 115.700 -0.002 0.000 2.555 214 S HA 0.063 4.533 4.470 -0.000 0.000 0.230 214 S C 1.767 176.369 174.600 0.003 0.000 0.978 214 S CA 1.420 59.611 58.200 -0.016 0.000 0.934 214 S CB 0.223 63.410 63.200 -0.022 0.000 0.766 214 S HN 0.625 nan 8.310 nan 0.000 0.533 215 E N 0.801 121.009 120.200 0.014 0.000 2.207 215 E HA 0.030 4.380 4.350 -0.000 0.000 0.197 215 E C 1.693 178.307 176.600 0.024 0.000 0.914 215 E CA 0.852 57.262 56.400 0.018 0.000 0.914 215 E CB 0.430 30.140 29.700 0.016 0.000 0.893 215 E HN 0.441 nan 8.360 nan 0.000 0.479 216 V N -2.187 117.743 119.914 0.027 0.000 3.643 216 V HA 0.438 4.558 4.120 -0.000 0.000 0.280 216 V C 1.753 177.870 176.094 0.037 0.000 1.351 216 V CA 0.660 62.978 62.300 0.030 0.000 1.073 216 V CB 0.378 32.215 31.823 0.024 0.000 0.863 216 V HN 0.257 nan 8.190 nan 0.000 0.436 217 G N 0.649 109.474 108.800 0.040 0.000 2.402 217 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 217 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 217 G C 1.091 176.023 174.900 0.052 0.000 1.162 217 G CA 1.093 46.220 45.100 0.045 0.000 0.777 217 G HN 0.493 nan 8.290 nan 0.000 0.539 218 D N 0.233 120.672 120.400 0.065 0.000 2.178 218 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 218 D C 2.733 179.063 176.300 0.049 0.000 0.980 218 D CA 0.450 54.489 54.000 0.066 0.000 0.842 218 D CB -0.248 40.602 40.800 0.082 0.000 0.948 218 D HN 0.199 nan 8.370 nan 0.000 0.472 219 V N 0.711 120.659 119.914 0.057 0.000 2.343 219 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 219 V C 2.435 178.580 176.094 0.085 0.000 1.051 219 V CA 1.391 63.739 62.300 0.080 0.000 1.036 219 V CB -0.373 31.494 31.823 0.073 0.000 0.654 219 V HN 0.227 nan 8.190 nan 0.000 0.451 220 M N 0.538 120.172 119.600 0.056 0.000 2.229 220 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 220 M C 2.270 178.599 176.300 0.049 0.000 1.063 220 M CA 1.965 57.294 55.300 0.048 0.000 1.114 220 M CB -0.385 32.242 32.600 0.046 0.000 1.387 220 M HN 0.573 nan 8.290 nan 0.000 0.420 221 S N -1.068 114.654 115.700 0.036 0.000 2.478 221 S HA 0.094 4.564 4.470 -0.000 0.000 0.222 221 S C 1.685 176.289 174.600 0.006 0.000 1.008 221 S CA 0.600 58.807 58.200 0.012 0.000 0.928 221 S CB -0.211 62.978 63.200 -0.018 0.000 0.781 221 S HN 0.474 nan 8.310 nan 0.000 0.518 222 G N -0.194 108.618 108.800 0.020 0.000 3.192 222 G HA2 0.222 4.182 3.960 -0.000 0.000 0.239 222 G HA3 0.222 4.182 3.960 -0.000 0.000 0.239 222 G C -0.020 174.888 174.900 0.013 0.000 1.084 222 G CA -0.497 44.603 45.100 -0.001 0.000 0.784 222 G HN 0.608 nan 8.290 nan 0.000 0.540 223 H N 1.054 120.113 119.070 -0.019 0.000 2.683 223 H HA 0.248 4.804 4.556 -0.000 0.000 0.339 223 H C 1.997 177.314 175.328 -0.019 0.000 1.081 223 H CA 0.054 56.092 56.048 -0.015 0.000 1.432 223 H CB 1.185 30.942 29.762 -0.010 0.000 1.462 223 H HN 0.167 nan 8.280 nan 0.000 0.557 224 K N 2.935 123.219 120.400 -0.194 0.000 2.280 224 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 224 K C 0.569 177.223 176.600 0.090 0.000 1.047 224 K CA 1.379 57.634 56.287 -0.054 0.000 0.942 224 K CB 0.312 32.737 32.500 -0.126 0.000 0.739 224 K HN 0.518 nan 8.250 nan 0.000 0.457 225 E N 1.176 121.571 120.200 0.325 0.000 2.489 225 E HA 0.061 4.411 4.350 -0.000 0.000 0.193 225 E C -0.208 176.433 176.600 0.069 0.000 1.057 225 E CA 0.087 56.597 56.400 0.184 0.000 0.866 225 E CB 0.435 30.247 29.700 0.187 0.000 0.916 225 E HN 0.103 nan 8.360 nan 0.000 0.500 226 V N 2.231 122.190 119.914 0.075 0.000 2.465 226 V HA 0.067 4.187 4.120 -0.000 0.000 0.279 226 V C 1.026 177.109 176.094 -0.019 0.000 1.045 226 V CA -0.189 62.118 62.300 0.012 0.000 0.938 226 V CB 1.683 33.525 31.823 0.032 0.000 0.986 226 V HN 0.010 nan 8.190 nan 0.000 0.467 227 D N 2.727 123.092 120.400 -0.058 0.000 2.338 227 D HA 0.180 4.820 4.640 -0.000 0.000 0.208 227 D C 0.048 176.308 176.300 -0.068 0.000 0.997 227 D CA 0.663 54.619 54.000 -0.073 0.000 0.880 227 D CB 1.268 41.997 40.800 -0.119 0.000 0.980 227 D HN 0.330 nan 8.370 nan 0.000 0.509 228 L N 0.509 121.696 121.223 -0.061 0.000 2.513 228 L HA 0.338 4.678 4.340 -0.000 0.000 0.261 228 L C -1.804 175.048 176.870 -0.030 0.000 0.945 228 L CA -0.679 54.117 54.840 -0.073 0.000 0.848 228 L CB 2.495 44.462 42.059 -0.154 0.000 1.334 228 L HN -0.352 nan 8.230 nan 0.000 0.407 229 V N 3.056 122.960 119.914 -0.016 0.000 2.409 229 V HA 0.678 4.798 4.120 -0.000 0.000 0.291 229 V C -0.204 175.921 176.094 0.052 0.000 1.020 229 V CA -0.411 61.908 62.300 0.032 0.000 0.848 229 V CB 1.442 33.283 31.823 0.031 0.000 0.990 229 V HN 0.794 nan 8.190 nan 0.000 0.430 230 S N 5.397 121.157 115.700 0.099 0.000 2.498 230 S HA 0.770 5.240 4.470 -0.000 0.000 0.317 230 S C -1.255 173.471 174.600 0.211 0.000 1.090 230 S CA -0.417 57.859 58.200 0.127 0.000 1.089 230 S CB 0.647 63.926 63.200 0.132 0.000 0.997 230 S HN 0.589 nan 8.310 nan 0.000 0.470 231 F N 3.657 123.635 119.950 0.045 0.000 2.556 231 F HA 0.680 5.207 4.527 -0.000 0.000 0.314 231 F C -0.695 175.128 175.800 0.039 0.000 1.106 231 F CA -0.205 57.818 58.000 0.038 0.000 0.911 231 F CB 2.150 41.168 39.000 0.030 0.000 1.190 231 F HN 0.440 nan 8.300 nan 0.000 0.448 232 T N 4.422 118.397 114.554 -0.965 0.000 2.841 232 T HA 0.803 5.153 4.350 -0.000 0.000 0.285 232 T C -0.153 173.760 174.700 -1.310 0.000 0.991 232 T CA -0.183 61.408 62.100 -0.848 0.000 0.966 232 T CB 1.242 69.874 68.868 -0.393 0.000 0.962 232 T HN 1.132 nan 8.240 nan 0.000 0.438 233 G N 1.784 110.010 108.800 -0.956 0.000 2.512 233 G HA2 0.548 4.508 3.960 -0.000 0.000 0.181 233 G HA3 0.548 4.508 3.960 -0.000 0.000 0.181 233 G C -0.435 174.378 174.900 -0.145 0.000 1.173 233 G CA -0.147 44.630 45.100 -0.538 0.000 0.988 233 G HN 0.875 nan 8.290 nan 0.000 0.485 234 G N -0.905 107.945 108.800 0.083 0.000 2.462 234 G HA2 0.524 4.484 3.960 -0.000 0.000 0.319 234 G HA3 0.524 4.484 3.960 -0.000 0.000 0.319 234 G C 0.980 176.006 174.900 0.210 0.000 1.171 234 G CA -0.043 45.106 45.100 0.080 0.000 0.920 234 G HN 0.871 nan 8.290 nan 0.000 0.499 235 I N -0.235 120.440 120.570 0.174 0.000 2.208 235 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 235 I C 2.363 178.543 176.117 0.105 0.000 1.097 235 I CA 1.314 62.709 61.300 0.159 0.000 1.363 235 I CB 0.190 38.281 38.000 0.152 0.000 1.051 235 I HN 0.477 nan 8.210 nan 0.000 0.413 236 E N 0.115 120.368 120.200 0.090 0.000 2.051 236 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 236 E C 2.168 178.783 176.600 0.025 0.000 0.991 236 E CA 1.911 58.344 56.400 0.055 0.000 0.799 236 E CB -0.718 29.012 29.700 0.050 0.000 0.748 236 E HN 0.476 nan 8.360 nan 0.000 0.449 237 T N 0.643 115.201 114.554 0.008 0.000 2.777 237 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 237 T C 1.889 176.417 174.700 -0.287 0.000 1.040 237 T CA 1.357 63.382 62.100 -0.125 0.000 1.141 237 T CB -0.534 68.273 68.868 -0.101 0.000 0.868 237 T HN 0.381 nan 8.240 nan 0.000 0.444 238 G N 1.763 110.456 108.800 -0.178 0.000 2.440 238 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 238 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 238 G C 1.605 176.460 174.900 -0.075 0.000 1.154 238 G CA 0.741 45.751 45.100 -0.150 0.000 0.767 238 G HN 0.436 nan 8.290 nan 0.000 0.552 239 K N -0.614 119.780 120.400 -0.010 0.000 2.057 239 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 239 K C 2.211 178.802 176.600 -0.016 0.000 1.049 239 K CA 1.258 57.542 56.287 -0.005 0.000 0.931 239 K CB -0.287 32.220 32.500 0.012 0.000 0.714 239 K HN 0.483 nan 8.250 nan 0.000 0.440 240 H N 1.009 120.019 119.070 -0.100 0.000 2.319 240 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 240 H C 1.853 177.109 175.328 -0.120 0.000 1.092 240 H CA 1.820 57.808 56.048 -0.100 0.000 1.302 240 H CB -0.045 29.655 29.762 -0.105 0.000 1.373 240 H HN 0.072 nan 8.280 nan 0.000 0.497 241 I N -0.214 120.306 120.570 -0.083 0.000 2.226 241 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 241 I C 2.695 178.734 176.117 -0.130 0.000 1.100 241 I CA 1.658 62.871 61.300 -0.146 0.000 1.374 241 I CB -0.254 37.584 38.000 -0.269 0.000 1.057 241 I HN 0.434 nan 8.210 nan 0.000 0.413 242 M N 0.776 120.314 119.600 -0.103 0.000 2.117 242 M HA -0.245 4.235 4.480 -0.000 0.000 0.262 242 M C 2.207 178.451 176.300 -0.093 0.000 1.065 242 M CA 1.887 57.143 55.300 -0.074 0.000 1.114 242 M CB -0.069 32.504 32.600 -0.045 0.000 1.361 242 M HN 0.006 nan 8.290 nan 0.000 0.408 243 K N -0.100 120.227 120.400 -0.122 0.000 2.097 243 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 243 K C 1.711 178.217 176.600 -0.157 0.000 1.049 243 K CA 1.639 57.846 56.287 -0.134 0.000 0.933 243 K CB -0.299 32.109 32.500 -0.152 0.000 0.717 243 K HN 0.354 nan 8.250 nan 0.000 0.442 244 N N 0.642 119.215 118.700 -0.211 0.000 2.216 244 N HA -0.062 4.678 4.740 -0.000 0.000 0.183 244 N C 1.476 176.924 175.510 -0.104 0.000 1.017 244 N CA 1.101 54.043 53.050 -0.180 0.000 0.861 244 N CB -0.024 38.333 38.487 -0.217 0.000 0.986 244 N HN 0.172 nan 8.380 nan 0.000 0.428 245 A N 0.307 123.074 122.820 -0.088 0.000 1.972 245 A HA 0.057 4.377 4.320 -0.000 0.000 0.219 245 A C 2.239 179.790 177.584 -0.055 0.000 1.169 245 A CA 1.627 53.629 52.037 -0.058 0.000 0.635 245 A CB -0.999 17.973 19.000 -0.048 0.000 0.810 245 A HN 0.359 nan 8.150 nan 0.000 0.446 246 A N 0.503 123.285 122.820 -0.064 0.000 2.024 246 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 246 A C 1.790 179.343 177.584 -0.052 0.000 1.164 246 A CA 1.624 53.627 52.037 -0.055 0.000 0.643 246 A CB -0.634 18.331 19.000 -0.058 0.000 0.806 246 A HN 0.573 nan 8.150 nan 0.000 0.451 247 N N 0.288 118.952 118.700 -0.059 0.000 2.289 247 N HA -0.124 4.616 4.740 -0.000 0.000 0.184 247 N C 0.490 175.971 175.510 -0.048 0.000 1.016 247 N CA 1.542 54.559 53.050 -0.055 0.000 0.872 247 N CB -0.399 38.051 38.487 -0.062 0.000 0.973 247 N HN 0.704 nan 8.380 nan 0.000 0.433 248 N N -0.771 117.902 118.700 -0.045 0.000 2.238 248 N HA 0.149 4.888 4.740 -0.000 0.000 0.235 248 N C -0.520 174.970 175.510 -0.033 0.000 1.209 248 N CA -0.069 52.959 53.050 -0.038 0.000 0.879 248 N CB 1.312 39.778 38.487 -0.036 0.000 1.136 248 N HN -0.243 nan 8.380 nan 0.000 0.517 249 V N 0.418 120.311 119.914 -0.035 0.000 5.325 249 V HA -0.253 3.867 4.120 -0.000 0.000 0.291 249 V C -0.060 176.014 176.094 -0.033 0.000 0.541 249 V CA 1.040 63.319 62.300 -0.033 0.000 0.687 249 V CB -2.927 28.878 31.823 -0.029 0.000 0.491 249 V HN 0.343 nan 8.190 nan 0.000 1.145 250 T N 2.176 116.710 114.554 -0.034 0.000 2.869 250 T HA 0.250 4.600 4.350 -0.000 0.000 0.295 250 T C 0.628 175.305 174.700 -0.039 0.000 0.987 250 T CA -0.403 61.677 62.100 -0.035 0.000 1.109 250 T CB 0.605 69.456 68.868 -0.028 0.000 0.932 250 T HN 0.532 nan 8.240 nan 0.000 0.518 251 N N 3.397 122.069 118.700 -0.047 0.000 2.407 251 N HA 0.074 4.814 4.740 -0.000 0.000 0.250 251 N C -0.111 175.368 175.510 -0.052 0.000 1.236 251 N CA 0.172 53.189 53.050 -0.056 0.000 0.879 251 N CB 0.456 38.897 38.487 -0.077 0.000 1.088 251 N HN 0.561 nan 8.380 nan 0.000 0.450 252 I N -1.890 118.654 120.570 -0.044 0.000 2.689 252 I HA 0.716 4.886 4.170 -0.000 0.000 0.299 252 I C -0.954 175.150 176.117 -0.022 0.000 1.059 252 I CA -1.256 60.030 61.300 -0.023 0.000 1.055 252 I CB 1.287 39.283 38.000 -0.006 0.000 1.243 252 I HN 0.358 nan 8.210 nan 0.000 0.425 253 A N 7.275 130.095 122.820 0.001 0.000 2.335 253 A HA 0.841 5.161 4.320 -0.000 0.000 0.304 253 A C -1.133 176.504 177.584 0.088 0.000 1.118 253 A CA -0.548 51.498 52.037 0.016 0.000 0.757 253 A CB 1.110 20.096 19.000 -0.022 0.000 1.188 253 A HN 0.756 nan 8.150 nan 0.000 0.460 254 L N 1.662 122.944 121.223 0.098 0.000 2.408 254 L HA 0.645 4.985 4.340 -0.000 0.000 0.268 254 L C -0.334 176.609 176.870 0.120 0.000 0.986 254 L CA -0.536 54.401 54.840 0.161 0.000 0.820 254 L CB 2.286 44.450 42.059 0.174 0.000 1.303 254 L HN 0.749 nan 8.230 nan 0.000 0.411 255 E N 3.817 124.079 120.200 0.103 0.000 2.244 255 E HA 0.360 4.710 4.350 -0.000 0.000 0.260 255 E C -1.057 175.576 176.600 0.056 0.000 0.884 255 E CA -0.340 56.114 56.400 0.091 0.000 0.777 255 E CB 1.904 31.691 29.700 0.145 0.000 1.197 255 E HN 0.654 nan 8.360 nan 0.000 0.416 256 L N 3.531 124.819 121.223 0.108 0.000 3.168 256 L HA 0.407 4.747 4.340 -0.000 0.000 0.277 256 L C 0.852 177.795 176.870 0.121 0.000 1.245 256 L CA 0.045 54.965 54.840 0.134 0.000 1.035 256 L CB 0.348 42.534 42.059 0.212 0.000 1.399 256 L HN 0.797 nan 8.230 nan 0.000 0.580 257 G N 0.094 108.934 108.800 0.068 0.000 2.627 257 G HA2 0.140 4.100 3.960 -0.000 0.000 0.214 257 G HA3 0.140 4.100 3.960 -0.000 0.000 0.214 257 G C -0.323 174.494 174.900 -0.137 0.000 1.331 257 G CA -0.477 44.623 45.100 -0.000 0.000 0.891 257 G HN 0.568 nan 8.290 nan 0.000 0.539 258 G N -1.502 107.043 108.800 -0.425 0.000 2.550 258 G HA2 0.703 4.663 3.960 -0.000 0.000 0.293 258 G HA3 0.703 4.663 3.960 -0.000 0.000 0.293 258 G C -1.371 173.129 174.900 -0.668 0.000 1.402 258 G CA 0.391 45.094 45.100 -0.661 0.000 0.784 258 G HN 1.310 nan 8.290 nan 0.000 0.482 259 K N 1.157 121.340 120.400 -0.362 0.000 2.562 259 K HA 0.332 4.652 4.320 -0.000 0.000 0.206 259 K C -0.643 175.962 176.600 0.008 0.000 1.033 259 K CA -0.711 55.519 56.287 -0.095 0.000 1.029 259 K CB -0.352 32.202 32.500 0.090 0.000 1.393 259 K HN 0.385 nan 8.250 nan 0.000 0.539 260 N N 4.933 123.656 118.700 0.037 0.000 2.422 260 N HA 0.252 4.992 4.740 -0.000 0.000 0.264 260 N C -2.566 173.032 175.510 0.147 0.000 1.063 260 N CA -1.427 51.683 53.050 0.100 0.000 0.959 260 N CB 1.147 39.756 38.487 0.203 0.000 1.087 260 N HN 0.393 nan 8.380 nan 0.000 0.483 261 P HA 0.142 nan 4.420 nan 0.000 0.284 261 P C -0.672 176.764 177.300 0.226 0.000 1.253 261 P CA -0.457 62.708 63.100 0.108 0.000 0.800 261 P CB 0.880 32.598 31.700 0.030 0.000 0.961 262 N N 3.333 122.151 118.700 0.196 0.000 2.569 262 N HA 0.288 5.028 4.740 -0.000 0.000 0.254 262 N C -1.005 174.593 175.510 0.146 0.000 1.004 262 N CA -0.601 52.615 53.050 0.277 0.000 0.904 262 N CB -0.106 38.455 38.487 0.123 0.000 1.165 262 N HN 0.272 nan 8.380 nan 0.000 0.513 263 I N 4.383 125.063 120.570 0.183 0.000 2.297 263 I HA 0.344 4.514 4.170 -0.000 0.000 0.291 263 I C 0.047 176.262 176.117 0.165 0.000 1.033 263 I CA -0.453 60.888 61.300 0.068 0.000 1.253 263 I CB 0.799 38.767 38.000 -0.054 0.000 1.396 263 I HN 0.313 nan 8.210 nan 0.000 0.476 264 I N 6.729 127.339 120.570 0.067 0.000 2.382 264 I HA 0.328 4.498 4.170 -0.000 0.000 0.285 264 I C -0.326 175.822 176.117 0.051 0.000 1.007 264 I CA -0.388 60.947 61.300 0.059 0.000 1.142 264 I CB 0.793 38.633 38.000 -0.266 0.000 1.289 264 I HN 0.334 nan 8.210 nan 0.000 0.453 265 F N 3.911 124.007 119.950 0.243 0.000 2.380 265 F HA 0.099 4.626 4.527 0.000 0.000 0.325 265 F C 1.811 177.682 175.800 0.119 0.000 1.136 265 F CA 0.006 58.144 58.000 0.229 0.000 1.171 265 F CB 0.605 39.744 39.000 0.232 0.000 1.230 265 F HN 0.524 nan 8.300 nan 0.000 0.554 266 D N 0.955 121.526 120.400 0.284 0.000 2.182 266 D HA -0.203 4.437 4.640 -0.000 0.000 0.201 266 D C 1.075 177.493 176.300 0.197 0.000 0.986 266 D CA 1.609 55.713 54.000 0.174 0.000 0.847 266 D CB -0.117 40.753 40.800 0.116 0.000 0.942 266 D HN 0.666 nan 8.370 nan 0.000 0.467 267 D N -0.153 120.383 120.400 0.227 0.000 2.358 267 D HA 0.187 4.827 4.640 -0.000 0.000 0.224 267 D C 0.320 176.737 176.300 0.195 0.000 1.123 267 D CA -0.346 53.754 54.000 0.168 0.000 0.833 267 D CB -0.240 40.623 40.800 0.106 0.000 0.946 267 D HN 0.138 nan 8.370 nan 0.000 0.505 268 A N 0.420 123.397 122.820 0.262 0.000 2.366 268 A HA 0.197 4.517 4.320 -0.000 0.000 0.249 268 A C 0.341 178.070 177.584 0.242 0.000 1.084 268 A CA -0.421 51.782 52.037 0.277 0.000 0.794 268 A CB 0.221 19.412 19.000 0.317 0.000 1.034 268 A HN 0.178 nan 8.150 nan 0.000 0.491 269 D N 0.984 121.523 120.400 0.231 0.000 2.349 269 D HA -0.016 4.624 4.640 -0.000 0.000 0.266 269 D C 0.663 177.088 176.300 0.208 0.000 1.293 269 D CA 0.010 54.132 54.000 0.203 0.000 0.926 269 D CB -0.087 40.822 40.800 0.180 0.000 1.090 269 D HN 0.419 nan 8.370 nan 0.000 0.502 270 F N 4.094 124.098 119.950 0.090 0.000 2.102 270 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 270 F C 1.925 177.763 175.800 0.064 0.000 1.105 270 F CA 1.313 59.363 58.000 0.084 0.000 1.239 270 F CB 0.358 39.404 39.000 0.078 0.000 0.991 270 F HN 0.375 nan 8.300 nan 0.000 0.474 271 E N 0.165 120.446 120.200 0.134 0.000 2.208 271 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 271 E C 2.189 178.753 176.600 -0.060 0.000 0.988 271 E CA 0.785 57.188 56.400 0.006 0.000 0.828 271 E CB -0.715 29.044 29.700 0.099 0.000 0.763 271 E HN 0.438 nan 8.360 nan 0.000 0.478 272 L N 1.023 122.243 121.223 -0.005 0.000 2.046 272 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 272 L C 2.175 178.938 176.870 -0.178 0.000 1.077 272 L CA 2.060 56.898 54.840 -0.004 0.000 0.747 272 L CB -0.594 41.537 42.059 0.121 0.000 0.896 272 L HN 0.029 nan 8.230 nan 0.000 0.432 273 A N -1.240 121.409 122.820 -0.286 0.000 1.930 273 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 273 A C 2.239 179.594 177.584 -0.382 0.000 1.175 273 A CA 1.810 53.498 52.037 -0.582 0.000 0.627 273 A CB -1.004 17.752 19.000 -0.407 0.000 0.815 273 A HN 0.314 nan 8.150 nan 0.000 0.443 274 V N 0.391 120.109 119.914 -0.327 0.000 2.307 274 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 274 V C 2.318 178.281 176.094 -0.218 0.000 1.045 274 V CA 2.459 64.587 62.300 -0.286 0.000 1.024 274 V CB -0.812 30.757 31.823 -0.423 0.000 0.651 274 V HN 0.761 nan 8.190 nan 0.000 0.449 275 D N -0.627 119.664 120.400 -0.183 0.000 2.116 275 D HA -0.227 4.413 4.640 -0.000 0.000 0.193 275 D C 2.211 178.417 176.300 -0.157 0.000 0.998 275 D CA 1.397 55.323 54.000 -0.124 0.000 0.836 275 D CB -0.018 40.746 40.800 -0.061 0.000 0.951 275 D HN 0.328 nan 8.370 nan 0.000 0.449 276 Q N -0.412 119.262 119.800 -0.210 0.000 2.311 276 Q HA 0.059 4.399 4.340 -0.000 0.000 0.203 276 Q C 2.134 177.926 176.000 -0.347 0.000 0.954 276 Q CA 0.925 56.599 55.803 -0.215 0.000 0.885 276 Q CB -0.058 28.614 28.738 -0.110 0.000 0.963 276 Q HN 0.423 nan 8.270 nan 0.000 0.471 277 A N 0.914 123.538 122.820 -0.328 0.000 1.898 277 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 277 A C 2.208 179.617 177.584 -0.293 0.000 1.181 277 A CA 0.858 52.726 52.037 -0.281 0.000 0.620 277 A CB -0.601 18.397 19.000 -0.003 0.000 0.819 277 A HN 0.280 nan 8.150 nan 0.000 0.442 278 L N -0.140 120.970 121.223 -0.189 0.000 2.017 278 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 278 L C 2.371 179.090 176.870 -0.252 0.000 1.073 278 L CA 1.408 56.212 54.840 -0.060 0.000 0.745 278 L CB -0.700 41.348 42.059 -0.019 0.000 0.894 278 L HN 0.356 nan 8.230 nan 0.000 0.432 279 N N 0.397 118.835 118.700 -0.436 0.000 2.120 279 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 279 N C 1.851 176.985 175.510 -0.627 0.000 1.024 279 N CA 1.591 54.106 53.050 -0.893 0.000 0.852 279 N CB -0.798 37.317 38.487 -0.621 0.000 1.003 279 N HN 0.372 nan 8.380 nan 0.000 0.424 280 G N -0.027 108.404 108.800 -0.615 0.000 2.422 280 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.218 280 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.218 280 G C 1.542 176.126 174.900 -0.527 0.000 1.146 280 G CA 1.138 45.698 45.100 -0.901 0.000 0.769 280 G HN 0.459 nan 8.290 nan 0.000 0.547 281 G N -0.964 107.457 108.800 -0.630 0.000 2.453 281 G HA2 0.114 4.074 3.960 -0.000 0.000 0.215 281 G HA3 0.114 4.074 3.960 -0.000 0.000 0.215 281 G C 1.258 175.678 174.900 -0.799 0.000 1.147 281 G CA 0.604 45.185 45.100 -0.865 0.000 0.802 281 G HN 0.451 nan 8.290 nan 0.000 0.535 282 Y N -1.217 119.043 120.300 -0.067 0.000 2.471 282 Y HA 0.450 5.000 4.550 0.000 0.000 0.249 282 Y C 0.231 176.228 175.900 0.161 0.000 1.116 282 Y CA -2.027 56.090 58.100 0.028 0.000 1.240 282 Y CB 0.120 38.580 38.460 0.000 0.000 1.251 282 Y HN -0.111 nan 8.280 nan 0.000 0.527 283 F N 1.623 121.684 119.950 0.185 0.000 2.607 283 F HA 0.060 4.587 4.527 -0.000 0.000 0.374 283 F C 1.484 177.399 175.800 0.192 0.000 1.104 283 F CA 0.291 58.373 58.000 0.137 0.000 1.296 283 F CB -0.112 38.898 39.000 0.016 0.000 1.085 283 F HN 0.270 nan 8.300 nan 0.000 0.584 284 H N 2.631 121.837 119.070 0.226 0.000 2.690 284 H HA -0.246 4.310 4.556 -0.000 0.000 0.309 284 H C 1.021 176.419 175.328 0.115 0.000 1.138 284 H CA 0.295 56.397 56.048 0.091 0.000 1.142 284 H CB -1.151 28.618 29.762 0.011 0.000 1.410 284 H HN 0.941 nan 8.280 nan 0.000 0.409 285 A N -1.589 121.407 122.820 0.293 0.000 2.799 285 A HA -0.044 4.276 4.320 -0.000 0.000 0.287 285 A C 2.600 180.274 177.584 0.149 0.000 1.484 285 A CA 1.862 54.041 52.037 0.236 0.000 0.813 285 A CB -1.927 17.195 19.000 0.203 0.000 1.009 285 A HN 2.317 nan 8.150 nan 0.000 0.545 286 G N -2.369 106.495 108.800 0.107 0.000 2.162 286 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 286 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 286 G C 0.148 174.875 174.900 -0.288 0.000 0.976 286 G CA 0.898 45.977 45.100 -0.034 0.000 0.655 286 G HN 1.369 nan 8.290 nan 0.000 0.533 287 Q N 0.198 119.774 119.800 -0.372 0.000 3.170 287 Q HA 0.471 4.811 4.340 -0.000 0.000 0.346 287 Q C -0.240 175.254 176.000 -0.842 0.000 1.333 287 Q CA -0.075 55.204 55.803 -0.873 0.000 0.958 287 Q CB 0.858 29.356 28.738 -0.401 0.000 1.600 287 Q HN 0.340 nan 8.270 nan 0.000 0.482 288 V N -0.203 119.270 119.914 -0.736 0.000 2.638 288 V HA 0.046 4.166 4.120 -0.000 0.000 0.306 288 V C 1.188 177.326 176.094 0.073 0.000 1.052 288 V CA -0.961 61.313 62.300 -0.044 0.000 0.885 288 V CB 1.329 33.295 31.823 0.238 0.000 0.999 288 V HN 0.732 nan 8.190 nan 0.000 0.424 289 C N 1.263 120.747 119.300 0.307 0.000 2.403 289 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 289 C C 2.269 177.503 174.990 0.406 0.000 1.248 289 C CA 1.140 60.401 59.018 0.404 0.000 1.762 289 C CB -1.293 26.654 27.740 0.344 0.000 2.014 289 C HN 0.996 nan 8.230 nan 0.000 0.486 290 S N 1.124 117.131 115.700 0.512 0.000 2.634 290 S HA 0.552 5.022 4.470 -0.000 0.000 0.221 290 S C 0.769 175.746 174.600 0.628 0.000 0.952 290 S CA 0.314 58.911 58.200 0.662 0.000 0.930 290 S CB -0.650 63.139 63.200 0.982 0.000 0.780 290 S HN 1.072 nan 8.310 nan 0.000 0.498 291 A N 1.221 124.301 122.820 0.433 0.000 2.561 291 A HA 0.488 4.808 4.320 -0.000 0.000 0.234 291 A C 0.955 178.696 177.584 0.261 0.000 1.055 291 A CA 0.229 52.450 52.037 0.308 0.000 0.756 291 A CB -0.310 18.734 19.000 0.072 0.000 0.986 291 A HN 0.676 nan 8.150 nan 0.000 0.505 292 G N 1.278 110.073 108.800 -0.008 0.000 3.343 292 G HA2 0.356 4.316 3.960 -0.000 0.000 0.279 292 G HA3 0.356 4.316 3.960 -0.000 0.000 0.279 292 G C 0.956 175.750 174.900 -0.177 0.000 0.919 292 G CA 0.438 45.444 45.100 -0.157 0.000 1.812 292 G HN 1.174 nan 8.290 nan 0.000 0.584 293 S N 0.720 116.388 115.700 -0.054 0.000 2.496 293 S HA 0.082 4.552 4.470 -0.000 0.000 0.224 293 S C 1.191 175.766 174.600 -0.041 0.000 0.996 293 S CA -0.072 58.084 58.200 -0.074 0.000 0.927 293 S CB 0.282 63.460 63.200 -0.036 0.000 0.774 293 S HN 0.383 nan 8.310 nan 0.000 0.524 294 R N 1.050 121.546 120.500 -0.007 0.000 2.287 294 R HA 0.513 4.853 4.340 -0.000 0.000 0.316 294 R C -1.353 174.953 176.300 0.010 0.000 1.050 294 R CA -0.525 55.582 56.100 0.013 0.000 0.983 294 R CB 0.330 30.650 30.300 0.032 0.000 1.140 294 R HN 0.351 nan 8.270 nan 0.000 0.528 295 I N 5.781 126.348 120.570 -0.004 0.000 2.342 295 I HA 0.204 4.374 4.170 -0.000 0.000 0.291 295 I C -0.258 175.852 176.117 -0.012 0.000 1.010 295 I CA -0.482 60.803 61.300 -0.025 0.000 1.308 295 I CB 1.245 39.233 38.000 -0.020 0.000 1.400 295 I HN 0.405 nan 8.210 nan 0.000 0.488 296 L N 7.663 128.881 121.223 -0.008 0.000 2.316 296 L HA 0.546 4.886 4.340 -0.000 0.000 0.280 296 L C -0.586 176.340 176.870 0.092 0.000 1.006 296 L CA -0.556 54.333 54.840 0.082 0.000 0.836 296 L CB 1.826 43.932 42.059 0.079 0.000 1.221 296 L HN 0.350 nan 8.230 nan 0.000 0.418 297 V N 3.903 123.770 119.914 -0.078 0.000 2.604 297 V HA 0.346 4.466 4.120 -0.000 0.000 0.305 297 V C -0.211 175.420 176.094 -0.770 0.000 1.043 297 V CA -0.450 61.631 62.300 -0.365 0.000 0.888 297 V CB 2.216 33.741 31.823 -0.496 0.000 0.995 297 V HN 0.844 nan 8.190 nan 0.000 0.429 298 Q N 3.923 123.059 119.800 -1.107 0.000 2.300 298 Q HA 0.077 4.417 4.340 -0.000 0.000 0.280 298 Q C 1.106 176.757 176.000 -0.583 0.000 1.033 298 Q CA 0.866 55.872 55.803 -1.329 0.000 0.903 298 Q CB 0.463 28.745 28.738 -0.761 0.000 1.195 298 Q HN 0.887 nan 8.270 nan 0.000 0.386 299 N N 0.689 119.112 118.700 -0.462 0.000 2.137 299 N HA -0.252 4.488 4.740 -0.000 0.000 0.190 299 N C 1.452 176.888 175.510 -0.123 0.000 1.017 299 N CA 1.442 54.367 53.050 -0.208 0.000 0.859 299 N CB 0.054 38.464 38.487 -0.128 0.000 1.002 299 N HN 0.648 nan 8.380 nan 0.000 0.428 300 S N 0.831 116.460 115.700 -0.117 0.000 2.442 300 S HA -0.103 4.367 4.470 -0.000 0.000 0.236 300 S C 1.582 176.162 174.600 -0.034 0.000 1.007 300 S CA 0.847 59.014 58.200 -0.055 0.000 0.965 300 S CB -0.557 62.624 63.200 -0.032 0.000 0.773 300 S HN 0.576 nan 8.310 nan 0.000 0.504 301 I N -2.729 117.820 120.570 -0.035 0.000 4.050 301 I HA 0.475 4.645 4.170 -0.000 0.000 0.327 301 I C 1.503 177.682 176.117 0.102 0.000 1.473 301 I CA -0.581 60.744 61.300 0.040 0.000 1.124 301 I CB 0.267 38.333 38.000 0.110 0.000 1.129 301 I HN 0.002 nan 8.210 nan 0.000 0.428 302 K N 1.855 122.272 120.400 0.028 0.000 2.026 302 K HA -0.255 4.065 4.320 -0.000 0.000 0.208 302 K C 1.711 178.397 176.600 0.142 0.000 1.048 302 K CA 2.411 58.743 56.287 0.074 0.000 0.929 302 K CB -0.068 32.428 32.500 -0.006 0.000 0.713 302 K HN 0.410 nan 8.250 nan 0.000 0.439 303 D N 0.612 121.061 120.400 0.082 0.000 2.097 303 D HA -0.188 4.452 4.640 -0.000 0.000 0.195 303 D C 1.893 178.247 176.300 0.091 0.000 0.989 303 D CA 1.387 55.428 54.000 0.069 0.000 0.827 303 D CB 0.020 40.838 40.800 0.031 0.000 0.966 303 D HN 0.203 nan 8.370 nan 0.000 0.456 304 K N -0.998 119.461 120.400 0.098 0.000 2.032 304 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 304 K C 2.234 179.010 176.600 0.293 0.000 1.048 304 K CA 1.128 57.477 56.287 0.103 0.000 0.927 304 K CB -0.496 31.991 32.500 -0.022 0.000 0.712 304 K HN 0.189 nan 8.250 nan 0.000 0.441 305 F N 2.225 122.340 119.950 0.274 0.000 2.102 305 F HA -0.158 4.369 4.527 0.000 0.000 0.298 305 F C 1.929 177.786 175.800 0.094 0.000 1.105 305 F CA 1.809 59.959 58.000 0.250 0.000 1.239 305 F CB -0.154 38.919 39.000 0.121 0.000 0.991 305 F HN 0.146 nan 8.300 nan 0.000 0.474 306 E N -0.213 120.034 120.200 0.079 0.000 2.085 306 E HA -0.285 4.065 4.350 -0.000 0.000 0.194 306 E C 2.199 178.733 176.600 -0.111 0.000 0.994 306 E CA 1.691 58.067 56.400 -0.040 0.000 0.801 306 E CB -0.273 29.471 29.700 0.072 0.000 0.743 306 E HN 0.622 nan 8.360 nan 0.000 0.453 307 Q N 0.076 119.852 119.800 -0.040 0.000 2.084 307 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 307 Q C 2.256 178.212 176.000 -0.073 0.000 0.978 307 Q CA 1.392 57.172 55.803 -0.038 0.000 0.844 307 Q CB -0.191 28.546 28.738 -0.002 0.000 0.898 307 Q HN 0.235 nan 8.270 nan 0.000 0.426 308 A N 0.865 123.638 122.820 -0.078 0.000 1.898 308 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 308 A C 2.067 179.513 177.584 -0.231 0.000 1.181 308 A CA 1.075 53.059 52.037 -0.089 0.000 0.620 308 A CB -0.596 18.434 19.000 0.050 0.000 0.819 308 A HN 0.324 nan 8.150 nan 0.000 0.442 309 L N 0.036 120.997 121.223 -0.438 0.000 2.017 309 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 309 L C 2.256 179.001 176.870 -0.208 0.000 1.073 309 L CA 1.788 56.376 54.840 -0.419 0.000 0.745 309 L CB -0.421 41.248 42.059 -0.650 0.000 0.894 309 L HN 0.430 nan 8.230 nan 0.000 0.432 310 I N -0.290 120.181 120.570 -0.165 0.000 2.208 310 I HA -0.317 3.852 4.170 -0.000 0.000 0.245 310 I C 2.150 178.211 176.117 -0.093 0.000 1.097 310 I CA 1.804 63.045 61.300 -0.098 0.000 1.363 310 I CB -0.450 37.510 38.000 -0.067 0.000 1.051 310 I HN 0.378 nan 8.210 nan 0.000 0.413 311 D N 0.416 120.762 120.400 -0.090 0.000 2.178 311 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 311 D C 2.325 178.577 176.300 -0.079 0.000 0.980 311 D CA 1.083 55.040 54.000 -0.072 0.000 0.842 311 D CB 0.167 40.934 40.800 -0.055 0.000 0.948 311 D HN 0.046 nan 8.370 nan 0.000 0.472 312 R N -0.158 120.284 120.500 -0.098 0.000 2.093 312 R HA 0.036 4.376 4.340 -0.000 0.000 0.224 312 R C 2.335 178.566 176.300 -0.115 0.000 1.101 312 R CA 0.357 56.399 56.100 -0.096 0.000 0.979 312 R CB -0.764 29.474 30.300 -0.103 0.000 0.877 312 R HN 0.211 nan 8.270 nan 0.000 0.441 313 V N 1.853 121.685 119.914 -0.136 0.000 2.407 313 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 313 V C 2.078 178.066 176.094 -0.176 0.000 1.055 313 V CA 1.642 63.820 62.300 -0.203 0.000 1.049 313 V CB -0.398 31.307 31.823 -0.195 0.000 0.662 313 V HN 0.308 nan 8.190 nan 0.000 0.455 314 K N -0.075 120.251 120.400 -0.125 0.000 2.360 314 K HA -0.124 4.196 4.320 -0.000 0.000 0.201 314 K C 1.823 178.366 176.600 -0.096 0.000 1.046 314 K CA 0.947 57.171 56.287 -0.104 0.000 0.945 314 K CB -0.100 32.352 32.500 -0.080 0.000 0.750 314 K HN 0.463 nan 8.250 nan 0.000 0.464 315 K N 0.369 120.712 120.400 -0.094 0.000 2.367 315 K HA 0.177 4.497 4.320 -0.000 0.000 0.194 315 K C 0.297 176.851 176.600 -0.077 0.000 1.027 315 K CA -0.096 56.146 56.287 -0.075 0.000 1.075 315 K CB 0.426 32.890 32.500 -0.060 0.000 0.845 315 K HN 0.051 nan 8.250 nan 0.000 0.529 316 I N 2.876 123.384 120.570 -0.104 0.000 2.683 316 I HA -0.093 4.077 4.170 -0.000 0.000 0.286 316 I C 0.137 176.213 176.117 -0.069 0.000 1.175 316 I CA 0.476 61.720 61.300 -0.094 0.000 1.429 316 I CB 0.309 38.211 38.000 -0.163 0.000 1.371 316 I HN -0.074 nan 8.210 nan 0.000 0.569 317 K N 6.855 127.233 120.400 -0.037 0.000 2.267 317 K HA 0.402 4.722 4.320 -0.000 0.000 0.282 317 K C -0.871 175.722 176.600 -0.012 0.000 1.078 317 K CA -0.781 55.485 56.287 -0.034 0.000 0.903 317 K CB 1.034 33.519 32.500 -0.025 0.000 1.111 317 K HN 0.280 nan 8.250 nan 0.000 0.475 318 L N 1.825 123.025 121.223 -0.039 0.000 2.379 318 L HA 0.598 4.938 4.340 -0.000 0.000 0.269 318 L C 0.802 177.622 176.870 -0.083 0.000 1.084 318 L CA 0.530 55.361 54.840 -0.016 0.000 0.802 318 L CB 1.551 43.554 42.059 -0.093 0.000 1.175 318 L HN 0.898 nan 8.230 nan 0.000 0.448 319 G N 1.176 110.002 108.800 0.043 0.000 2.333 319 G HA2 0.025 3.985 3.960 -0.000 0.000 0.288 319 G HA3 0.025 3.985 3.960 -0.000 0.000 0.288 319 G C -1.382 173.684 174.900 0.275 0.000 1.286 319 G CA -0.884 44.249 45.100 0.055 0.000 0.865 319 G HN 0.495 nan 8.290 nan 0.000 0.506 320 N N 0.685 119.389 118.700 0.007 0.000 2.483 320 N HA 0.288 5.028 4.740 -0.000 0.000 0.264 320 N C 1.688 177.104 175.510 -0.157 0.000 1.197 320 N CA 0.881 53.705 53.050 -0.377 0.000 0.927 320 N CB 1.283 39.326 38.487 -0.740 0.000 1.065 320 N HN 0.919 nan 8.380 nan 0.000 0.461 321 G N 2.683 111.380 108.800 -0.171 0.000 2.479 321 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 321 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 321 G C 0.945 175.645 174.900 -0.334 0.000 1.115 321 G CA 0.429 45.376 45.100 -0.256 0.000 0.757 321 G HN 0.616 nan 8.290 nan 0.000 0.560 322 F N 0.570 120.433 119.950 -0.145 0.000 2.710 322 F HA 0.202 4.729 4.527 0.000 0.000 0.298 322 F C 1.030 176.753 175.800 -0.128 0.000 1.137 322 F CA -0.392 57.547 58.000 -0.100 0.000 1.444 322 F CB 0.238 39.195 39.000 -0.071 0.000 1.111 322 F HN -0.018 nan 8.300 nan 0.000 0.580 323 D N 0.307 120.705 120.400 -0.003 0.000 2.312 323 D HA 0.240 4.880 4.640 -0.000 0.000 0.252 323 D C 1.243 177.509 176.300 -0.058 0.000 1.150 323 D CA 0.246 54.214 54.000 -0.053 0.000 0.870 323 D CB 1.665 42.425 40.800 -0.067 0.000 1.153 323 D HN 0.117 nan 8.370 nan 0.000 0.457 324 A N 4.157 126.934 122.820 -0.071 0.000 1.978 324 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 324 A C 1.489 179.051 177.584 -0.036 0.000 1.170 324 A CA 1.327 53.333 52.037 -0.053 0.000 0.636 324 A CB -0.095 18.865 19.000 -0.066 0.000 0.810 324 A HN 0.605 nan 8.150 nan 0.000 0.448 325 D N -0.535 119.841 120.400 -0.039 0.000 2.349 325 D HA 0.046 4.686 4.640 -0.000 0.000 0.215 325 D C 0.154 176.443 176.300 -0.018 0.000 1.016 325 D CA 0.444 54.428 54.000 -0.027 0.000 0.870 325 D CB -0.269 40.512 40.800 -0.032 0.000 0.917 325 D HN 0.236 nan 8.370 nan 0.000 0.524 326 T N 0.890 115.431 114.554 -0.021 0.000 2.853 326 T HA 0.059 4.409 4.350 -0.000 0.000 0.298 326 T C 1.264 175.973 174.700 0.015 0.000 0.978 326 T CA 0.296 62.395 62.100 -0.002 0.000 1.152 326 T CB 1.329 70.196 68.868 -0.003 0.000 0.914 326 T HN 0.079 nan 8.240 nan 0.000 0.539 327 E N 2.149 122.373 120.200 0.040 0.000 2.340 327 E HA 0.251 4.601 4.350 -0.000 0.000 0.198 327 E C 0.363 177.033 176.600 0.117 0.000 0.961 327 E CA 0.255 56.698 56.400 0.073 0.000 0.905 327 E CB 0.575 30.314 29.700 0.065 0.000 0.884 327 E HN 0.472 nan 8.360 nan 0.000 0.491 328 M N 0.448 120.121 119.600 0.122 0.000 2.277 328 M HA 0.394 4.874 4.480 -0.000 0.000 0.282 328 M C -0.663 175.781 176.300 0.240 0.000 1.074 328 M CA -0.477 54.930 55.300 0.178 0.000 0.954 328 M CB 1.783 34.491 32.600 0.179 0.000 1.672 328 M HN 0.096 nan 8.290 nan 0.000 0.471 329 G N 3.586 112.518 108.800 0.221 0.000 2.510 329 G HA2 0.725 4.685 3.960 -0.000 0.000 0.280 329 G HA3 0.725 4.685 3.960 -0.000 0.000 0.280 329 G C -2.945 172.034 174.900 0.132 0.000 1.386 329 G CA -0.949 44.300 45.100 0.249 0.000 1.047 329 G HN 0.437 nan 8.290 nan 0.000 0.527 330 P HA 0.279 nan 4.420 nan 0.000 0.277 330 P C 0.324 177.524 177.300 -0.166 0.000 1.271 330 P CA -0.270 62.449 63.100 -0.635 0.000 0.795 330 P CB 1.140 32.265 31.700 -0.959 0.000 1.101 331 V N -1.551 118.294 119.914 -0.115 0.000 3.295 331 V HA 0.200 4.320 4.120 -0.000 0.000 0.308 331 V C 1.612 177.654 176.094 -0.086 0.000 1.068 331 V CA -0.245 62.049 62.300 -0.009 0.000 1.062 331 V CB 0.025 31.890 31.823 0.070 0.000 1.162 331 V HN 0.409 nan 8.190 nan 0.000 0.456 332 I N 1.321 121.807 120.570 -0.140 0.000 2.500 332 I HA 0.095 4.265 4.170 -0.000 0.000 0.252 332 I C 1.017 176.964 176.117 -0.284 0.000 1.142 332 I CA 1.699 62.827 61.300 -0.287 0.000 1.451 332 I CB -0.002 37.556 38.000 -0.737 0.000 1.093 332 I HN 1.118 nan 8.210 nan 0.000 0.430 333 S N -3.021 112.532 115.700 -0.245 0.000 2.615 333 S HA 0.251 4.721 4.470 -0.000 0.000 0.269 333 S C 0.747 175.283 174.600 -0.106 0.000 1.161 333 S CA -0.066 58.023 58.200 -0.186 0.000 0.817 333 S CB 0.695 63.738 63.200 -0.262 0.000 1.131 333 S HN 0.206 nan 8.310 nan 0.000 0.467 334 T N -1.628 112.880 114.554 -0.078 0.000 2.821 334 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 334 T C 1.399 176.073 174.700 -0.043 0.000 1.046 334 T CA 1.552 63.622 62.100 -0.049 0.000 1.139 334 T CB -0.749 68.099 68.868 -0.033 0.000 0.871 334 T HN 0.787 nan 8.240 nan 0.000 0.454 335 E N 0.171 120.344 120.200 -0.044 0.000 2.077 335 E HA -0.279 4.071 4.350 -0.000 0.000 0.193 335 E C 2.245 178.854 176.600 0.013 0.000 0.989 335 E CA 1.234 57.624 56.400 -0.017 0.000 0.800 335 E CB -0.261 29.430 29.700 -0.015 0.000 0.746 335 E HN 0.723 nan 8.360 nan 0.000 0.452 336 H N 0.565 119.558 119.070 -0.129 0.000 2.363 336 H HA 0.031 4.587 4.556 -0.000 0.000 0.301 336 H C 2.166 177.444 175.328 -0.083 0.000 1.074 336 H CA 1.923 57.910 56.048 -0.102 0.000 1.354 336 H CB -0.014 29.618 29.762 -0.217 0.000 1.397 336 H HN 0.041 nan 8.280 nan 0.000 0.516 337 R N 0.072 120.481 120.500 -0.152 0.000 2.091 337 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 337 R C 1.774 177.956 176.300 -0.197 0.000 1.136 337 R CA 1.732 57.710 56.100 -0.204 0.000 0.959 337 R CB -0.046 30.209 30.300 -0.076 0.000 0.856 337 R HN 0.334 nan 8.270 nan 0.000 0.437 338 N N 0.939 119.576 118.700 -0.105 0.000 2.104 338 N HA -0.222 4.518 4.740 -0.000 0.000 0.190 338 N C 1.474 176.933 175.510 -0.084 0.000 1.024 338 N CA 1.436 54.443 53.050 -0.072 0.000 0.853 338 N CB -0.267 38.199 38.487 -0.035 0.000 1.008 338 N HN 0.333 nan 8.380 nan 0.000 0.424 339 K N 0.966 121.318 120.400 -0.080 0.000 2.026 339 K HA -0.055 4.265 4.320 -0.000 0.000 0.208 339 K C 2.002 178.596 176.600 -0.009 0.000 1.048 339 K CA 0.970 57.252 56.287 -0.008 0.000 0.929 339 K CB -0.157 32.387 32.500 0.074 0.000 0.713 339 K HN 0.088 nan 8.250 nan 0.000 0.439 340 I N 1.259 121.689 120.570 -0.233 0.000 2.179 340 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 340 I C 2.233 178.174 176.117 -0.292 0.000 1.088 340 I CA 1.521 62.625 61.300 -0.327 0.000 1.357 340 I CB -0.301 37.292 38.000 -0.678 0.000 1.051 340 I HN 0.284 nan 8.210 nan 0.000 0.409 341 E N 0.238 120.242 120.200 -0.326 0.000 2.085 341 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 341 E C 2.286 178.878 176.600 -0.014 0.000 0.994 341 E CA 1.636 57.970 56.400 -0.110 0.000 0.801 341 E CB -0.187 29.503 29.700 -0.018 0.000 0.743 341 E HN 0.322 nan 8.360 nan 0.000 0.453 342 S N -0.310 115.364 115.700 -0.044 0.000 2.383 342 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 342 S C 1.763 176.297 174.600 -0.109 0.000 1.030 342 S CA 1.077 59.228 58.200 -0.080 0.000 1.002 342 S CB -0.246 62.878 63.200 -0.126 0.000 0.829 342 S HN 0.307 nan 8.310 nan 0.000 0.467 343 Y N 1.002 121.286 120.300 -0.026 0.000 2.439 343 Y HA 0.047 4.597 4.550 -0.000 0.000 0.292 343 Y C 2.350 178.267 175.900 0.028 0.000 1.130 343 Y CA 0.895 58.997 58.100 0.004 0.000 1.254 343 Y CB -0.177 38.283 38.460 0.000 0.000 1.000 343 Y HN 0.287 nan 8.280 nan 0.000 0.554 344 M N -0.509 119.186 119.600 0.160 0.000 2.132 344 M HA -0.192 4.288 4.480 -0.000 0.000 0.263 344 M C 1.345 177.706 176.300 0.101 0.000 1.065 344 M CA 1.411 56.803 55.300 0.153 0.000 1.122 344 M CB -0.960 31.754 32.600 0.191 0.000 1.365 344 M HN 0.201 nan 8.290 nan 0.000 0.411 345 D N 0.263 120.699 120.400 0.060 0.000 2.144 345 D HA -0.067 4.573 4.640 -0.000 0.000 0.200 345 D C 2.321 178.632 176.300 0.018 0.000 0.978 345 D CA 0.863 54.881 54.000 0.030 0.000 0.833 345 D CB -0.326 40.476 40.800 0.003 0.000 0.961 345 D HN 0.140 nan 8.370 nan 0.000 0.470 346 V N 1.572 121.486 119.914 -0.001 0.000 2.295 346 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 346 V C 2.560 178.692 176.094 0.063 0.000 1.049 346 V CA 1.920 64.221 62.300 0.001 0.000 1.024 346 V CB -0.841 30.952 31.823 -0.050 0.000 0.648 346 V HN 0.195 nan 8.190 nan 0.000 0.447 347 A N -0.202 122.681 122.820 0.105 0.000 1.877 347 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 347 A C 2.279 179.907 177.584 0.074 0.000 1.186 347 A CA 2.144 54.244 52.037 0.105 0.000 0.620 347 A CB -0.472 18.603 19.000 0.124 0.000 0.822 347 A HN 0.553 nan 8.150 nan 0.000 0.443 348 K N -0.294 120.145 120.400 0.066 0.000 2.097 348 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 348 K C 2.197 178.820 176.600 0.040 0.000 1.049 348 K CA 1.099 57.417 56.287 0.051 0.000 0.933 348 K CB -0.312 32.216 32.500 0.047 0.000 0.717 348 K HN 0.434 nan 8.250 nan 0.000 0.442 349 A N 2.045 124.885 122.820 0.035 0.000 2.015 349 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 349 A C 1.738 179.339 177.584 0.028 0.000 1.163 349 A CA 1.556 53.608 52.037 0.025 0.000 0.646 349 A CB -0.390 18.619 19.000 0.015 0.000 0.806 349 A HN 0.523 nan 8.150 nan 0.000 0.448 350 E N -1.618 118.604 120.200 0.037 0.000 2.463 350 E HA 0.365 4.715 4.350 -0.000 0.000 0.193 350 E C 0.871 177.494 176.600 0.039 0.000 1.041 350 E CA 0.457 56.880 56.400 0.039 0.000 0.879 350 E CB -0.256 29.473 29.700 0.047 0.000 0.997 350 E HN 0.725 nan 8.360 nan 0.000 0.478 351 G N 0.500 109.323 108.800 0.038 0.000 2.159 351 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.227 351 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.227 351 G C 0.333 175.257 174.900 0.040 0.000 0.986 351 G CA -0.129 44.992 45.100 0.036 0.000 0.651 351 G HN 0.638 nan 8.290 nan 0.000 0.523 352 A N -0.402 122.448 122.820 0.049 0.000 2.257 352 A HA 0.853 5.173 4.320 -0.000 0.000 0.289 352 A C 0.491 178.105 177.584 0.051 0.000 1.095 352 A CA 0.727 52.796 52.037 0.053 0.000 0.836 352 A CB 0.744 19.783 19.000 0.065 0.000 1.111 352 A HN 0.756 nan 8.150 nan 0.000 0.497 353 T N 1.641 116.225 114.554 0.051 0.000 2.807 353 T HA 0.438 4.788 4.350 -0.000 0.000 0.279 353 T C -0.257 174.475 174.700 0.053 0.000 0.993 353 T CA -0.244 61.883 62.100 0.046 0.000 0.970 353 T CB 0.766 69.656 68.868 0.037 0.000 0.950 353 T HN 0.357 nan 8.240 nan 0.000 0.441 354 I N 3.416 124.018 120.570 0.052 0.000 2.278 354 I HA 0.232 4.402 4.170 -0.000 0.000 0.296 354 I C 1.428 177.567 176.117 0.038 0.000 1.121 354 I CA -0.436 60.899 61.300 0.058 0.000 1.267 354 I CB -0.244 37.795 38.000 0.066 0.000 1.447 354 I HN 0.820 nan 8.210 nan 0.000 0.509 355 A N 5.682 128.525 122.820 0.037 0.000 2.014 355 A HA 0.122 4.442 4.320 -0.000 0.000 0.218 355 A C 0.955 178.541 177.584 0.003 0.000 1.163 355 A CA 0.815 52.864 52.037 0.020 0.000 0.652 355 A CB 0.370 19.384 19.000 0.022 0.000 0.808 355 A HN 0.496 nan 8.150 nan 0.000 0.449 356 V N -2.954 116.962 119.914 0.003 0.000 3.098 356 V HA 0.568 4.688 4.120 -0.000 0.000 0.294 356 V C 0.295 176.373 176.094 -0.028 0.000 1.351 356 V CA 0.417 62.703 62.300 -0.024 0.000 0.999 356 V CB 1.301 33.099 31.823 -0.041 0.000 1.104 356 V HN 1.947 nan 8.190 nan 0.000 0.438 357 G N 3.949 112.708 108.800 -0.068 0.000 2.512 357 G HA2 0.338 4.298 3.960 -0.000 0.000 0.254 357 G HA3 0.338 4.298 3.960 -0.000 0.000 0.254 357 G C 1.354 176.186 174.900 -0.114 0.000 1.199 357 G CA 0.838 45.866 45.100 -0.120 0.000 0.941 357 G HN 2.736 nan 8.290 nan 0.000 0.569 358 G N -1.283 107.426 108.800 -0.151 0.000 2.143 358 G HA2 0.126 4.086 3.960 -0.000 0.000 0.249 358 G HA3 0.126 4.086 3.960 -0.000 0.000 0.249 358 G C 0.161 174.999 174.900 -0.103 0.000 0.981 358 G CA 1.914 47.024 45.100 0.017 0.000 0.665 358 G HN 2.003 nan 8.290 nan 0.000 0.528 359 K N -1.235 118.809 120.400 -0.594 0.000 2.522 359 K HA 0.745 5.065 4.320 -0.000 0.000 0.275 359 K C -0.200 176.045 176.600 -0.591 0.000 1.006 359 K CA -1.378 54.680 56.287 -0.381 0.000 0.890 359 K CB 1.466 33.869 32.500 -0.163 0.000 1.475 359 K HN 0.119 nan 8.250 nan 0.000 0.441 360 R N 1.028 121.434 120.500 -0.156 0.000 2.543 360 R HA 0.231 4.571 4.340 -0.000 0.000 0.277 360 R C -2.189 174.062 176.300 -0.081 0.000 1.074 360 R CA -1.589 54.486 56.100 -0.042 0.000 1.076 360 R CB 0.227 30.579 30.300 0.086 0.000 0.993 360 R HN 0.449 nan 8.270 nan 0.000 0.459 361 P HA 0.019 nan 4.420 nan 0.000 0.274 361 P C -0.591 176.677 177.300 -0.053 0.000 1.231 361 P CA -0.182 62.870 63.100 -0.079 0.000 0.790 361 P CB 0.724 32.364 31.700 -0.102 0.000 0.951 362 D N 0.354 120.716 120.400 -0.062 0.000 2.369 362 D HA 0.012 4.652 4.640 -0.000 0.000 0.211 362 D C 0.608 176.875 176.300 -0.055 0.000 1.077 362 D CA -0.129 53.843 54.000 -0.046 0.000 0.842 362 D CB -0.224 40.552 40.800 -0.040 0.000 0.947 362 D HN 0.230 nan 8.370 nan 0.000 0.509 363 R N 1.159 121.612 120.500 -0.078 0.000 2.538 363 R HA -0.045 4.295 4.340 -0.000 0.000 0.282 363 R C 0.369 176.624 176.300 -0.076 0.000 1.009 363 R CA -0.048 56.002 56.100 -0.083 0.000 1.063 363 R CB 0.489 30.722 30.300 -0.111 0.000 0.945 363 R HN -0.171 nan 8.270 nan 0.000 0.414 364 D N 2.158 122.525 120.400 -0.055 0.000 2.158 364 D HA -0.218 4.422 4.640 -0.000 0.000 0.197 364 D C 1.081 177.354 176.300 -0.045 0.000 0.995 364 D CA 1.829 55.804 54.000 -0.041 0.000 0.846 364 D CB 0.001 40.783 40.800 -0.029 0.000 0.941 364 D HN 0.695 nan 8.370 nan 0.000 0.456 365 D N -0.157 120.212 120.400 -0.052 0.000 2.363 365 D HA -0.094 4.546 4.640 -0.000 0.000 0.220 365 D C 1.781 178.033 176.300 -0.080 0.000 0.994 365 D CA 0.224 54.206 54.000 -0.031 0.000 0.890 365 D CB -0.155 40.648 40.800 0.006 0.000 0.906 365 D HN 0.295 nan 8.370 nan 0.000 0.530 366 L N 0.295 121.426 121.223 -0.153 0.000 2.616 366 L HA 0.119 4.459 4.340 -0.000 0.000 0.229 366 L C 2.483 179.341 176.870 -0.019 0.000 1.110 366 L CA -0.100 54.594 54.840 -0.244 0.000 0.884 366 L CB 0.038 41.817 42.059 -0.466 0.000 1.115 366 L HN -0.031 nan 8.230 nan 0.000 0.481 367 K N -0.163 120.218 120.400 -0.032 0.000 2.097 367 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 367 K C 0.812 177.419 176.600 0.013 0.000 1.049 367 K CA 1.769 58.056 56.287 -0.000 0.000 0.933 367 K CB -0.120 32.371 32.500 -0.016 0.000 0.717 367 K HN 0.115 nan 8.250 nan 0.000 0.442 368 D N 0.995 121.381 120.400 -0.023 0.000 2.349 368 D HA 0.075 4.715 4.640 -0.000 0.000 0.215 368 D C 0.764 177.034 176.300 -0.049 0.000 1.016 368 D CA 0.669 54.643 54.000 -0.043 0.000 0.870 368 D CB 0.364 41.116 40.800 -0.081 0.000 0.917 368 D HN 0.432 nan 8.370 nan 0.000 0.524 369 G N -0.296 108.512 108.800 0.013 0.000 2.521 369 G HA2 0.482 4.442 3.960 -0.000 0.000 0.323 369 G HA3 0.482 4.442 3.960 -0.000 0.000 0.323 369 G C -0.104 174.808 174.900 0.019 0.000 1.211 369 G CA -0.677 44.420 45.100 -0.005 0.000 0.979 369 G HN 0.093 nan 8.290 nan 0.000 0.490 370 L N 0.994 122.111 121.223 -0.177 0.000 2.727 370 L HA 0.282 4.622 4.340 -0.000 0.000 0.237 370 L C -0.525 176.237 176.870 -0.180 0.000 1.370 370 L CA -0.283 54.478 54.840 -0.131 0.000 1.248 370 L CB -0.859 41.117 42.059 -0.137 0.000 1.556 370 L HN 0.183 nan 8.230 nan 0.000 0.420 371 F N 0.137 120.137 119.950 0.082 0.000 2.371 371 F HA 0.408 4.935 4.527 -0.000 0.000 0.329 371 F C 0.026 175.939 175.800 0.187 0.000 1.107 371 F CA -0.152 57.917 58.000 0.114 0.000 1.137 371 F CB 1.094 40.133 39.000 0.065 0.000 1.214 371 F HN -0.067 nan 8.300 nan 0.000 0.536 372 F N 1.508 121.585 119.950 0.211 0.000 2.588 372 F HA 0.325 4.852 4.527 -0.000 0.000 0.314 372 F C -0.509 175.366 175.800 0.125 0.000 1.134 372 F CA -0.859 57.218 58.000 0.127 0.000 0.961 372 F CB 1.269 40.312 39.000 0.071 0.000 1.239 372 F HN 0.469 nan 8.300 nan 0.000 0.448 373 E N 6.566 126.470 120.200 -0.492 0.000 2.392 373 E HA 0.155 4.505 4.350 -0.000 0.000 0.264 373 E C -2.292 174.235 176.600 -0.121 0.000 1.024 373 E CA -1.586 54.651 56.400 -0.272 0.000 0.903 373 E CB 0.308 29.801 29.700 -0.344 0.000 0.963 373 E HN 0.227 nan 8.360 nan 0.000 0.432 374 P HA -0.030 nan 4.420 nan 0.000 0.265 374 P C -0.784 176.469 177.300 -0.079 0.000 1.193 374 P CA 0.165 63.169 63.100 -0.160 0.000 0.765 374 P CB 0.717 32.032 31.700 -0.643 0.000 0.823 375 T N 1.929 116.579 114.554 0.160 0.000 2.893 375 T HA 0.437 4.787 4.350 -0.000 0.000 0.293 375 T C -0.503 174.332 174.700 0.224 0.000 1.027 375 T CA -0.471 61.729 62.100 0.167 0.000 0.988 375 T CB 1.403 70.419 68.868 0.246 0.000 1.043 375 T HN 0.082 nan 8.240 nan 0.000 0.461 376 V N 3.680 123.676 119.914 0.136 0.000 2.487 376 V HA 0.546 4.666 4.120 -0.000 0.000 0.298 376 V C -0.532 175.618 176.094 0.093 0.000 1.028 376 V CA -0.805 61.569 62.300 0.123 0.000 0.860 376 V CB 1.603 33.476 31.823 0.083 0.000 0.991 376 V HN 0.785 nan 8.190 nan 0.000 0.427 377 I N 4.733 125.360 120.570 0.094 0.000 2.362 377 I HA 0.567 4.737 4.170 -0.000 0.000 0.289 377 I C 0.473 176.634 176.117 0.074 0.000 0.994 377 I CA -0.140 61.210 61.300 0.083 0.000 1.158 377 I CB 2.129 40.183 38.000 0.091 0.000 1.315 377 I HN 0.785 nan 8.210 nan 0.000 0.451 378 T N 1.045 115.637 114.554 0.064 0.000 2.905 378 T HA 0.416 4.766 4.350 -0.000 0.000 0.283 378 T C 0.260 174.992 174.700 0.053 0.000 1.031 378 T CA -0.777 61.359 62.100 0.060 0.000 1.002 378 T CB 1.363 70.262 68.868 0.053 0.000 1.200 378 T HN 0.566 nan 8.240 nan 0.000 0.560 379 N N -0.322 118.406 118.700 0.048 0.000 2.738 379 N HA -0.140 4.600 4.740 -0.000 0.000 0.249 379 N C -0.236 175.301 175.510 0.045 0.000 1.047 379 N CA 0.627 53.702 53.050 0.041 0.000 0.707 379 N CB -2.299 36.210 38.487 0.037 0.000 0.937 379 N HN 0.824 nan 8.380 nan 0.000 0.545 380 C N -0.303 119.026 119.300 0.049 0.000 2.423 380 C HA 0.860 5.320 4.460 -0.000 0.000 0.378 380 C C 0.740 175.758 174.990 0.047 0.000 1.244 380 C CA -0.707 58.342 59.018 0.051 0.000 1.978 380 C CB 1.295 29.069 27.740 0.056 0.000 2.252 380 C HN 0.658 nan 8.230 nan 0.000 0.526 381 D N -2.537 117.891 120.400 0.048 0.000 2.622 381 D HA 0.231 4.871 4.640 -0.000 0.000 0.255 381 D C 0.196 176.524 176.300 0.046 0.000 1.246 381 D CA -0.402 53.625 54.000 0.045 0.000 0.795 381 D CB 0.904 41.728 40.800 0.040 0.000 1.369 381 D HN 0.373 nan 8.370 nan 0.000 0.425 382 T N -0.781 113.798 114.554 0.043 0.000 2.977 382 T HA -0.124 4.226 4.350 -0.000 0.000 0.271 382 T C 1.633 176.359 174.700 0.043 0.000 1.105 382 T CA 2.026 64.152 62.100 0.042 0.000 1.116 382 T CB -0.611 68.278 68.868 0.034 0.000 0.878 382 T HN 0.477 nan 8.240 nan 0.000 0.509 383 S N 0.066 115.791 115.700 0.041 0.000 2.481 383 S HA 0.175 4.645 4.470 -0.000 0.000 0.231 383 S C 0.833 175.462 174.600 0.049 0.000 0.996 383 S CA 0.017 58.241 58.200 0.040 0.000 0.942 383 S CB -0.503 62.718 63.200 0.034 0.000 0.768 383 S HN 0.502 nan 8.310 nan 0.000 0.520 384 M N 1.500 121.134 119.600 0.056 0.000 2.233 384 M HA 0.330 4.809 4.480 -0.000 0.000 0.350 384 M C 1.482 177.834 176.300 0.087 0.000 1.176 384 M CA -0.368 54.973 55.300 0.068 0.000 1.150 384 M CB 0.791 33.433 32.600 0.070 0.000 1.530 384 M HN 0.075 nan 8.290 nan 0.000 0.459 385 R N 0.925 121.487 120.500 0.104 0.000 2.120 385 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 385 R C 1.812 178.224 176.300 0.186 0.000 1.123 385 R CA 1.168 57.357 56.100 0.148 0.000 0.975 385 R CB -0.430 29.965 30.300 0.159 0.000 0.866 385 R HN 0.606 nan 8.270 nan 0.000 0.446 386 I N 0.406 121.078 120.570 0.171 0.000 2.493 386 I HA -0.187 3.983 4.170 -0.000 0.000 0.254 386 I C 1.764 177.929 176.117 0.080 0.000 1.160 386 I CA 1.255 62.647 61.300 0.153 0.000 1.445 386 I CB 0.178 38.268 38.000 0.150 0.000 1.086 386 I HN -0.129 nan 8.210 nan 0.000 0.433 387 V N 0.022 119.985 119.914 0.082 0.000 2.535 387 V HA -0.123 3.997 4.120 -0.000 0.000 0.246 387 V C 2.323 178.462 176.094 0.075 0.000 1.045 387 V CA 1.232 63.572 62.300 0.066 0.000 1.058 387 V CB -0.540 31.320 31.823 0.062 0.000 0.689 387 V HN 0.403 nan 8.190 nan 0.000 0.461 388 Q N 0.182 120.039 119.800 0.095 0.000 2.269 388 Q HA 0.078 4.418 4.340 -0.000 0.000 0.201 388 Q C 0.630 176.729 176.000 0.165 0.000 0.946 388 Q CA 0.566 56.440 55.803 0.118 0.000 0.877 388 Q CB 0.231 29.031 28.738 0.103 0.000 0.963 388 Q HN 0.688 nan 8.270 nan 0.000 0.472 389 E N 1.057 121.338 120.200 0.134 0.000 2.214 389 E HA 0.204 4.554 4.350 -0.000 0.000 0.274 389 E C -0.729 175.867 176.600 -0.006 0.000 0.977 389 E CA -0.342 56.141 56.400 0.139 0.000 0.827 389 E CB 1.322 31.139 29.700 0.195 0.000 1.130 389 E HN 0.020 nan 8.360 nan 0.000 0.394 390 E N 2.388 122.614 120.200 0.042 0.000 2.166 390 E HA 0.041 4.391 4.350 -0.000 0.000 0.279 390 E C 0.183 176.720 176.600 -0.105 0.000 1.095 390 E CA -0.215 56.160 56.400 -0.041 0.000 0.888 390 E CB 0.682 30.345 29.700 -0.060 0.000 1.041 390 E HN 0.325 nan 8.360 nan 0.000 0.414 391 V N 5.306 125.119 119.914 -0.167 0.000 2.535 391 V HA -0.085 4.035 4.120 -0.000 0.000 0.246 391 V C 0.900 177.092 176.094 0.163 0.000 1.045 391 V CA 0.626 62.787 62.300 -0.231 0.000 1.058 391 V CB -0.717 30.927 31.823 -0.298 0.000 0.689 391 V HN 0.966 nan 8.190 nan 0.000 0.461 392 F N 0.650 120.612 119.950 0.021 0.000 3.080 392 F HA -0.142 4.385 4.527 -0.000 0.000 0.292 392 F C 0.637 176.600 175.800 0.272 0.000 0.891 392 F CA 0.623 58.721 58.000 0.164 0.000 1.086 392 F CB -1.088 38.063 39.000 0.251 0.000 1.095 392 F HN 0.249 nan 8.300 nan 0.000 0.633 393 G N -0.323 108.558 108.800 0.136 0.000 3.015 393 G HA2 0.693 4.653 3.960 -0.000 0.000 0.281 393 G HA3 0.693 4.653 3.960 -0.000 0.000 0.281 393 G C -2.952 172.012 174.900 0.107 0.000 1.386 393 G CA -0.839 44.313 45.100 0.086 0.000 0.959 393 G HN -0.110 nan 8.290 nan 0.000 0.522 394 P HA 0.346 nan 4.420 nan 0.000 0.225 394 P C -0.820 176.744 177.300 0.441 0.000 1.813 394 P CA -0.138 63.190 63.100 0.381 0.000 1.013 394 P CB 0.369 32.330 31.700 0.435 0.000 1.961 395 V N 2.062 122.104 119.914 0.214 0.000 2.733 395 V HA 0.444 4.564 4.120 -0.000 0.000 0.306 395 V C 0.189 176.299 176.094 0.028 0.000 1.084 395 V CA -0.984 61.425 62.300 0.180 0.000 0.905 395 V CB 2.664 34.568 31.823 0.136 0.000 1.010 395 V HN 0.211 nan 8.190 nan 0.000 0.424 396 V N 1.198 121.136 119.914 0.040 0.000 2.914 396 V HA 0.982 5.102 4.120 -0.000 0.000 0.314 396 V C -0.116 176.003 176.094 0.042 0.000 1.084 396 V CA -0.433 61.853 62.300 -0.022 0.000 0.963 396 V CB 2.111 33.877 31.823 -0.096 0.000 1.025 396 V HN 0.972 nan 8.190 nan 0.000 0.432 397 T N 0.497 115.070 114.554 0.032 0.000 2.925 397 T HA 0.828 5.178 4.350 -0.000 0.000 0.285 397 T C -0.572 174.163 174.700 0.059 0.000 1.021 397 T CA -0.751 61.381 62.100 0.053 0.000 1.042 397 T CB 1.643 70.540 68.868 0.049 0.000 1.037 397 T HN 1.046 nan 8.240 nan 0.000 0.481 398 V N 1.982 121.940 119.914 0.074 0.000 2.483 398 V HA 0.524 4.644 4.120 -0.000 0.000 0.297 398 V C -0.362 175.769 176.094 0.063 0.000 1.027 398 V CA -0.764 61.587 62.300 0.084 0.000 0.855 398 V CB 1.306 33.215 31.823 0.142 0.000 0.995 398 V HN 0.995 nan 8.190 nan 0.000 0.424 399 E N 2.118 122.347 120.200 0.048 0.000 2.256 399 E HA 0.697 5.047 4.350 -0.000 0.000 0.267 399 E C 0.036 176.656 176.600 0.033 0.000 0.892 399 E CA -0.612 55.816 56.400 0.047 0.000 0.775 399 E CB 2.510 32.245 29.700 0.057 0.000 1.207 399 E HN 0.830 nan 8.360 nan 0.000 0.420 400 G N 1.287 110.097 108.800 0.018 0.000 2.437 400 G HA2 0.583 4.543 3.960 -0.000 0.000 0.319 400 G HA3 0.583 4.543 3.960 -0.000 0.000 0.319 400 G C -1.041 173.882 174.900 0.039 0.000 1.158 400 G CA -0.440 44.633 45.100 -0.046 0.000 0.899 400 G HN 0.381 nan 8.290 nan 0.000 0.502 401 F N -0.576 119.330 119.950 -0.073 0.000 2.588 401 F HA 0.717 5.244 4.527 -0.000 0.000 0.314 401 F C 0.555 176.326 175.800 -0.048 0.000 1.069 401 F CA -1.456 56.503 58.000 -0.068 0.000 0.931 401 F CB 2.296 41.231 39.000 -0.110 0.000 1.260 401 F HN 0.486 nan 8.300 nan 0.000 0.465 402 E N 0.905 121.220 120.200 0.192 0.000 2.102 402 E HA 0.135 4.485 4.350 -0.000 0.000 0.190 402 E C 0.383 177.114 176.600 0.218 0.000 0.971 402 E CA 1.528 57.992 56.400 0.106 0.000 0.821 402 E CB 0.239 29.993 29.700 0.090 0.000 0.777 402 E HN 0.869 nan 8.360 nan 0.000 0.460 403 T N -3.242 111.527 114.554 0.358 0.000 2.865 403 T HA 0.289 4.639 4.350 -0.000 0.000 0.294 403 T C 0.850 175.755 174.700 0.341 0.000 1.119 403 T CA -0.305 61.997 62.100 0.337 0.000 1.007 403 T CB 1.225 70.204 68.868 0.185 0.000 1.225 403 T HN 0.072 nan 8.240 nan 0.000 0.515 404 E N 0.213 120.620 120.200 0.345 0.000 2.070 404 E HA -0.329 4.021 4.350 -0.000 0.000 0.197 404 E C 1.918 178.555 176.600 0.060 0.000 1.004 404 E CA 1.874 58.443 56.400 0.281 0.000 0.805 404 E CB -0.121 29.709 29.700 0.217 0.000 0.744 404 E HN 0.741 nan 8.360 nan 0.000 0.451 405 Q N 0.389 120.225 119.800 0.060 0.000 2.096 405 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 405 Q C 2.148 178.138 176.000 -0.017 0.000 0.982 405 Q CA 1.951 57.764 55.803 0.017 0.000 0.850 405 Q CB -0.123 28.633 28.738 0.031 0.000 0.901 405 Q HN 0.383 nan 8.270 nan 0.000 0.422 406 E N -0.492 119.711 120.200 0.005 0.000 2.106 406 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 406 E C 1.852 178.372 176.600 -0.133 0.000 0.984 406 E CA 0.919 57.317 56.400 -0.005 0.000 0.806 406 E CB -0.151 29.605 29.700 0.093 0.000 0.750 406 E HN 0.486 nan 8.360 nan 0.000 0.458 407 A N 0.966 123.545 122.820 -0.402 0.000 1.908 407 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 407 A C 2.128 179.494 177.584 -0.364 0.000 1.181 407 A CA 1.435 53.008 52.037 -0.773 0.000 0.627 407 A CB -0.617 17.425 19.000 -1.597 0.000 0.818 407 A HN 0.325 nan 8.150 nan 0.000 0.445 408 I N -0.769 119.667 120.570 -0.222 0.000 2.252 408 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 408 I C 2.808 178.865 176.117 -0.098 0.000 1.102 408 I CA 1.703 62.925 61.300 -0.130 0.000 1.385 408 I CB -0.346 37.607 38.000 -0.078 0.000 1.064 408 I HN 0.539 nan 8.210 nan 0.000 0.414 409 Q N 1.296 121.049 119.800 -0.078 0.000 2.050 409 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 409 Q C 2.379 178.352 176.000 -0.045 0.000 0.980 409 Q CA 1.697 57.472 55.803 -0.047 0.000 0.840 409 Q CB -0.041 28.681 28.738 -0.026 0.000 0.898 409 Q HN 0.510 nan 8.270 nan 0.000 0.424 410 L N 0.228 121.418 121.223 -0.055 0.000 2.027 410 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 410 L C 2.680 179.526 176.870 -0.040 0.000 1.074 410 L CA 1.010 55.829 54.840 -0.034 0.000 0.745 410 L CB -0.714 41.330 42.059 -0.024 0.000 0.898 410 L HN 0.299 nan 8.230 nan 0.000 0.433 411 A N 0.355 123.131 122.820 -0.074 0.000 1.940 411 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 411 A C 1.911 179.464 177.584 -0.052 0.000 1.176 411 A CA 2.316 54.315 52.037 -0.065 0.000 0.631 411 A CB -0.877 18.064 19.000 -0.098 0.000 0.814 411 A HN 0.567 nan 8.150 nan 0.000 0.446 412 N N -0.642 118.022 118.700 -0.060 0.000 2.467 412 N HA -0.024 4.716 4.740 -0.000 0.000 0.184 412 N C -0.150 175.345 175.510 -0.025 0.000 1.106 412 N CA 0.316 53.334 53.050 -0.054 0.000 0.892 412 N CB 0.093 38.543 38.487 -0.062 0.000 0.969 412 N HN 0.339 nan 8.380 nan 0.000 0.454 413 D N 1.109 121.502 120.400 -0.013 0.000 2.619 413 D HA 0.092 4.732 4.640 -0.000 0.000 0.224 413 D C -0.723 175.590 176.300 0.022 0.000 1.133 413 D CA -0.197 53.804 54.000 0.003 0.000 1.017 413 D CB -0.231 40.572 40.800 0.005 0.000 1.077 413 D HN 0.138 nan 8.370 nan 0.000 0.503 414 S N 0.877 116.593 115.700 0.026 0.000 2.615 414 S HA 0.275 4.745 4.470 -0.000 0.000 0.269 414 S C 0.896 175.504 174.600 0.013 0.000 1.161 414 S CA -0.888 57.346 58.200 0.056 0.000 0.817 414 S CB 0.313 63.592 63.200 0.132 0.000 1.131 414 S HN 0.192 nan 8.310 nan 0.000 0.467 415 I N -1.240 119.300 120.570 -0.051 0.000 3.428 415 I HA 0.340 4.510 4.170 -0.000 0.000 0.286 415 I C -0.263 175.719 176.117 -0.225 0.000 1.287 415 I CA 0.009 61.197 61.300 -0.185 0.000 1.396 415 I CB -0.387 37.420 38.000 -0.321 0.000 1.062 415 I HN 0.479 nan 8.210 nan 0.000 0.471 416 Y N 1.386 121.690 120.300 0.006 0.000 2.565 416 Y HA 0.716 5.266 4.550 -0.000 0.000 0.325 416 Y C 1.103 176.987 175.900 -0.026 0.000 1.221 416 Y CA -0.546 57.554 58.100 0.001 0.000 1.316 416 Y CB 1.419 39.884 38.460 0.009 0.000 1.404 416 Y HN -0.082 nan 8.280 nan 0.000 0.527 417 G N 0.119 109.017 108.800 0.163 0.000 5.312 417 G HA2 0.161 4.121 3.960 -0.000 0.000 0.204 417 G HA3 0.161 4.121 3.960 -0.000 0.000 0.204 417 G C -0.347 174.502 174.900 -0.085 0.000 1.097 417 G CA -0.182 44.916 45.100 -0.002 0.000 0.621 417 G HN 0.483 nan 8.290 nan 0.000 0.290 418 L N 0.477 121.628 121.223 -0.121 0.000 2.185 418 L HA 0.867 5.207 4.340 -0.000 0.000 0.198 418 L C 1.003 177.577 176.870 -0.493 0.000 1.079 418 L CA 1.856 56.528 54.840 -0.281 0.000 0.780 418 L CB 0.137 42.081 42.059 -0.191 0.000 0.955 418 L HN 0.507 nan 8.230 nan 0.000 0.462 419 A N -2.323 120.259 122.820 -0.396 0.000 2.610 419 A HA 0.775 5.095 4.320 -0.000 0.000 0.291 419 A C -0.649 176.701 177.584 -0.389 0.000 1.086 419 A CA -0.015 51.675 52.037 -0.578 0.000 0.677 419 A CB 0.902 19.512 19.000 -0.650 0.000 1.278 419 A HN 0.505 nan 8.150 nan 0.000 0.414 420 G N -1.515 106.960 108.800 -0.541 0.000 2.506 420 G HA2 0.823 4.783 3.960 -0.000 0.000 0.292 420 G HA3 0.823 4.783 3.960 -0.000 0.000 0.292 420 G C -1.003 173.824 174.900 -0.121 0.000 1.425 420 G CA 0.396 45.392 45.100 -0.174 0.000 0.788 420 G HN 2.110 nan 8.290 nan 0.000 0.490 421 A N -0.935 121.998 122.820 0.188 0.000 2.454 421 A HA 0.886 5.206 4.320 -0.000 0.000 0.302 421 A C -1.202 176.496 177.584 0.191 0.000 1.079 421 A CA -0.693 51.496 52.037 0.252 0.000 0.731 421 A CB 2.134 21.480 19.000 0.577 0.000 1.299 421 A HN 1.603 nan 8.150 nan 0.000 0.413 422 V N 1.123 121.066 119.914 0.049 0.000 2.483 422 V HA 0.470 4.590 4.120 -0.000 0.000 0.297 422 V C -1.402 174.652 176.094 -0.066 0.000 1.027 422 V CA -0.197 62.169 62.300 0.110 0.000 0.855 422 V CB 1.061 32.948 31.823 0.107 0.000 0.995 422 V HN 0.698 nan 8.190 nan 0.000 0.424 423 F N 3.024 123.115 119.950 0.234 0.000 2.388 423 F HA 0.737 5.264 4.527 0.000 0.000 0.358 423 F C 0.493 176.453 175.800 0.267 0.000 1.122 423 F CA -0.019 58.103 58.000 0.204 0.000 1.056 423 F CB 1.862 40.951 39.000 0.148 0.000 1.155 423 F HN 0.504 nan 8.300 nan 0.000 0.461 424 S N 2.657 118.512 115.700 0.258 0.000 2.560 424 S HA 0.254 4.724 4.470 -0.000 0.000 0.283 424 S C 0.177 174.832 174.600 0.093 0.000 1.141 424 S CA -0.853 57.454 58.200 0.179 0.000 0.902 424 S CB 1.215 64.422 63.200 0.011 0.000 1.104 424 S HN 0.696 nan 8.310 nan 0.000 0.454 425 K N 1.086 121.541 120.400 0.091 0.000 2.365 425 K HA -0.007 4.313 4.320 -0.000 0.000 0.199 425 K C 0.032 176.640 176.600 0.014 0.000 1.045 425 K CA 0.528 56.850 56.287 0.059 0.000 0.962 425 K CB -0.011 32.531 32.500 0.071 0.000 0.759 425 K HN 0.499 nan 8.250 nan 0.000 0.469 426 D N 1.424 121.811 120.400 -0.022 0.000 2.435 426 D HA 0.002 4.642 4.640 -0.000 0.000 0.230 426 D C 0.970 177.227 176.300 -0.072 0.000 1.215 426 D CA -0.133 53.833 54.000 -0.058 0.000 0.947 426 D CB 0.382 41.121 40.800 -0.102 0.000 1.048 426 D HN -0.113 nan 8.370 nan 0.000 0.512 427 I N 2.932 123.476 120.570 -0.042 0.000 2.315 427 I HA -0.085 4.085 4.170 -0.000 0.000 0.248 427 I C 2.355 178.440 176.117 -0.053 0.000 1.117 427 I CA 0.752 62.027 61.300 -0.041 0.000 1.404 427 I CB -1.395 36.592 38.000 -0.021 0.000 1.071 427 I HN 0.450 nan 8.210 nan 0.000 0.419 428 G N 0.975 109.743 108.800 -0.053 0.000 2.440 428 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 428 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 428 G C 1.825 176.678 174.900 -0.079 0.000 1.154 428 G CA 0.978 46.046 45.100 -0.055 0.000 0.767 428 G HN 0.375 nan 8.290 nan 0.000 0.552 429 K N 0.526 120.856 120.400 -0.117 0.000 2.025 429 K HA 0.082 4.402 4.320 -0.000 0.000 0.207 429 K C 2.813 179.308 176.600 -0.175 0.000 1.049 429 K CA 1.255 57.434 56.287 -0.181 0.000 0.933 429 K CB -0.350 31.966 32.500 -0.306 0.000 0.714 429 K HN 0.186 nan 8.250 nan 0.000 0.438 430 A N 1.145 123.874 122.820 -0.151 0.000 1.908 430 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 430 A C 2.027 179.575 177.584 -0.060 0.000 1.181 430 A CA 1.728 53.713 52.037 -0.086 0.000 0.627 430 A CB -0.587 18.377 19.000 -0.061 0.000 0.818 430 A HN 0.516 nan 8.150 nan 0.000 0.445 431 Q N -0.883 118.881 119.800 -0.060 0.000 2.119 431 Q HA -0.138 4.202 4.340 -0.000 0.000 0.201 431 Q C 2.389 178.360 176.000 -0.049 0.000 0.972 431 Q CA 1.347 57.120 55.803 -0.049 0.000 0.847 431 Q CB -0.174 28.540 28.738 -0.040 0.000 0.903 431 Q HN 0.610 nan 8.270 nan 0.000 0.433 432 R N -0.036 120.432 120.500 -0.054 0.000 2.073 432 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 432 R C 2.354 178.629 176.300 -0.042 0.000 1.134 432 R CA 1.414 57.487 56.100 -0.046 0.000 0.952 432 R CB -0.447 29.824 30.300 -0.048 0.000 0.850 432 R HN 0.115 nan 8.270 nan 0.000 0.433 433 V N 1.144 121.035 119.914 -0.038 0.000 2.287 433 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 433 V C 2.496 178.561 176.094 -0.048 0.000 1.053 433 V CA 2.012 64.301 62.300 -0.019 0.000 1.027 433 V CB -0.810 31.042 31.823 0.047 0.000 0.646 433 V HN 0.424 nan 8.190 nan 0.000 0.447 434 A N 0.239 123.025 122.820 -0.056 0.000 1.940 434 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 434 A C 2.040 179.566 177.584 -0.096 0.000 1.176 434 A CA 2.080 54.064 52.037 -0.087 0.000 0.631 434 A CB -0.655 18.296 19.000 -0.082 0.000 0.814 434 A HN 0.617 nan 8.150 nan 0.000 0.446 435 N N -0.478 118.180 118.700 -0.070 0.000 2.396 435 N HA -0.054 4.686 4.740 -0.000 0.000 0.180 435 N C 1.327 176.799 175.510 -0.064 0.000 1.028 435 N CA 1.020 54.034 53.050 -0.060 0.000 0.893 435 N CB -0.088 38.374 38.487 -0.041 0.000 0.967 435 N HN 0.580 nan 8.380 nan 0.000 0.440 436 K N 0.140 120.498 120.400 -0.070 0.000 2.361 436 K HA 0.213 4.533 4.320 -0.000 0.000 0.194 436 K C 0.300 176.836 176.600 -0.107 0.000 1.032 436 K CA -0.050 56.195 56.287 -0.070 0.000 1.048 436 K CB 0.545 33.013 32.500 -0.053 0.000 0.842 436 K HN 0.040 nan 8.250 nan 0.000 0.526 437 L N 2.194 123.330 121.223 -0.145 0.000 2.367 437 L HA 0.105 4.445 4.340 -0.000 0.000 0.275 437 L C 0.017 176.684 176.870 -0.338 0.000 1.129 437 L CA -0.068 54.649 54.840 -0.205 0.000 0.839 437 L CB 0.557 42.492 42.059 -0.206 0.000 1.133 437 L HN -0.094 nan 8.230 nan 0.000 0.453 438 K N 5.966 126.138 120.400 -0.380 0.000 2.187 438 K HA 0.476 4.796 4.320 -0.000 0.000 0.242 438 K C -1.007 175.009 176.600 -0.973 0.000 1.179 438 K CA 0.088 55.950 56.287 -0.708 0.000 1.097 438 K CB 0.049 32.367 32.500 -0.304 0.000 1.634 438 K HN 0.430 nan 8.250 nan 0.000 0.335 439 L N -0.554 119.975 121.223 -1.157 0.000 2.445 439 L HA 0.311 4.651 4.340 -0.000 0.000 0.262 439 L C 1.296 177.819 176.870 -0.578 0.000 0.974 439 L CA -0.880 53.527 54.840 -0.722 0.000 0.822 439 L CB 2.003 43.771 42.059 -0.484 0.000 1.339 439 L HN 0.499 nan 8.230 nan 0.000 0.409 440 G N 0.624 109.247 108.800 -0.295 0.000 2.422 440 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.218 440 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.218 440 G C 0.425 175.126 174.900 -0.333 0.000 1.140 440 G CA 0.734 45.732 45.100 -0.170 0.000 0.775 440 G HN 0.493 nan 8.290 nan 0.000 0.545 441 T N -0.320 113.911 114.554 -0.538 0.000 2.921 441 T HA 0.521 4.871 4.350 -0.000 0.000 0.297 441 T C -1.174 173.059 174.700 -0.778 0.000 1.013 441 T CA -0.416 61.315 62.100 -0.615 0.000 0.990 441 T CB 2.751 71.204 68.868 -0.693 0.000 1.023 441 T HN -0.078 nan 8.240 nan 0.000 0.447 442 V N 3.450 122.983 119.914 -0.635 0.000 2.487 442 V HA 0.508 4.628 4.120 -0.000 0.000 0.298 442 V C -0.837 174.980 176.094 -0.461 0.000 1.028 442 V CA -1.027 60.940 62.300 -0.554 0.000 0.860 442 V CB 1.662 33.302 31.823 -0.306 0.000 0.991 442 V HN 0.776 nan 8.190 nan 0.000 0.427 443 W N 4.718 125.914 121.300 -0.174 0.000 2.417 443 W HA 0.625 5.285 4.660 0.000 0.000 0.317 443 W C -0.404 175.991 176.519 -0.207 0.000 1.121 443 W CA -1.067 56.174 57.345 -0.174 0.000 1.208 443 W CB 1.401 30.730 29.460 -0.217 0.000 1.253 443 W HN 0.389 nan 8.180 nan 0.000 0.533 444 I N 4.717 125.302 120.570 0.026 0.000 2.330 444 I HA 0.074 4.244 4.170 -0.000 0.000 0.289 444 I C 0.178 176.178 176.117 -0.196 0.000 1.001 444 I CA -0.536 60.704 61.300 -0.100 0.000 1.193 444 I CB 0.570 38.537 38.000 -0.055 0.000 1.345 444 I HN 0.410 nan 8.210 nan 0.000 0.461 445 N N 4.070 122.461 118.700 -0.515 0.000 2.727 445 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 445 N C -0.723 174.602 175.510 -0.309 0.000 1.048 445 N CA 1.012 53.690 53.050 -0.620 0.000 0.714 445 N CB -0.819 37.580 38.487 -0.146 0.000 0.959 445 N HN 0.696 nan 8.380 nan 0.000 0.544 446 D N -1.281 118.908 120.400 -0.351 0.000 2.692 446 D HA 0.623 5.263 4.640 -0.000 0.000 0.290 446 D C -1.486 174.827 176.300 0.023 0.000 1.281 446 D CA -0.314 53.676 54.000 -0.017 0.000 0.804 446 D CB 1.262 42.017 40.800 -0.075 0.000 1.331 446 D HN -0.065 nan 8.370 nan 0.000 0.432 447 F N 1.247 121.015 119.950 -0.302 0.000 2.604 447 F HA 0.325 4.852 4.527 -0.000 0.000 0.316 447 F C 0.384 175.623 175.800 -0.936 0.000 1.136 447 F CA -0.238 57.344 58.000 -0.696 0.000 0.989 447 F CB 1.071 39.911 39.000 -0.266 0.000 1.258 447 F HN 0.545 nan 8.300 nan 0.000 0.451 448 H N -0.012 117.982 119.070 -1.793 0.000 4.199 448 H HA -0.101 4.455 4.556 0.000 0.000 0.124 448 H C -2.329 172.616 175.328 -0.638 0.000 0.666 448 H CA 0.924 56.472 56.048 -0.834 0.000 1.223 448 H CB -2.163 27.520 29.762 -0.132 0.000 0.616 448 H HN 0.287 nan 8.280 nan 0.000 0.619 449 P HA 0.195 nan 4.420 nan 0.000 0.267 449 P C -0.427 176.934 177.300 0.102 0.000 1.205 449 P CA 0.634 63.629 63.100 -0.175 0.000 0.765 449 P CB 0.011 31.712 31.700 0.002 0.000 0.828 450 Y N 2.146 122.442 120.300 -0.007 0.000 2.562 450 Y HA 0.829 5.379 4.550 -0.000 0.000 0.345 450 Y C -0.986 174.774 175.900 -0.235 0.000 1.045 450 Y CA -2.136 55.792 58.100 -0.287 0.000 1.028 450 Y CB 1.078 39.233 38.460 -0.509 0.000 1.297 450 Y HN 0.351 nan 8.280 nan 0.000 0.463 451 F N -1.676 118.324 119.950 0.083 0.000 2.719 451 F HA 0.755 5.282 4.527 -0.000 0.000 0.309 451 F C 0.502 176.148 175.800 -0.257 0.000 1.138 451 F CA -1.375 56.596 58.000 -0.049 0.000 0.943 451 F CB 0.898 39.862 39.000 -0.061 0.000 1.304 451 F HN 0.691 nan 8.300 nan 0.000 0.445 452 A N 0.238 122.990 122.820 -0.114 0.000 2.032 452 A HA -0.179 4.141 4.320 -0.000 0.000 0.221 452 A C 1.666 178.654 177.584 -0.994 0.000 1.165 452 A CA 2.207 53.908 52.037 -0.560 0.000 0.645 452 A CB -0.807 17.864 19.000 -0.548 0.000 0.807 452 A HN 0.843 nan 8.150 nan 0.000 0.453 453 Q N -0.672 118.798 119.800 -0.549 0.000 2.291 453 Q HA 0.305 4.645 4.340 -0.000 0.000 0.205 453 Q C 0.685 176.616 176.000 -0.114 0.000 0.970 453 Q CA 1.074 56.621 55.803 -0.426 0.000 0.876 453 Q CB -0.257 28.453 28.738 -0.047 0.000 0.935 453 Q HN 0.656 nan 8.270 nan 0.000 0.455 454 A N 1.083 123.865 122.820 -0.063 0.000 2.365 454 A HA 0.617 4.937 4.320 -0.000 0.000 0.318 454 A C -2.609 174.902 177.584 -0.122 0.000 1.091 454 A CA -1.934 50.061 52.037 -0.071 0.000 0.763 454 A CB 0.979 19.914 19.000 -0.108 0.000 1.248 454 A HN -0.094 nan 8.150 nan 0.000 0.442 455 P HA 0.122 nan 4.420 nan 0.000 0.275 455 P C -0.887 176.428 177.300 0.024 0.000 1.227 455 P CA 0.002 63.090 63.100 -0.021 0.000 0.781 455 P CB 0.732 32.429 31.700 -0.005 0.000 0.906 456 W N 3.325 124.515 121.300 -0.183 0.000 2.739 456 W HA 0.568 5.228 4.660 0.000 0.000 0.331 456 W C -0.956 175.526 176.519 -0.062 0.000 1.049 456 W CA 0.017 57.273 57.345 -0.149 0.000 1.234 456 W CB 2.503 31.823 29.460 -0.233 0.000 1.404 456 W HN 0.751 nan 8.180 nan 0.000 0.477 457 G N 1.788 110.279 108.800 -0.514 0.000 2.313 457 G HA2 0.417 4.377 3.960 -0.000 0.000 0.296 457 G HA3 0.417 4.377 3.960 -0.000 0.000 0.296 457 G C -1.531 173.183 174.900 -0.310 0.000 1.356 457 G CA -0.276 44.636 45.100 -0.313 0.000 0.833 457 G HN 0.713 nan 8.290 nan 0.000 0.552 458 G N -1.382 107.334 108.800 -0.140 0.000 2.432 458 G HA2 0.644 4.604 3.960 -0.000 0.000 0.331 458 G HA3 0.644 4.604 3.960 -0.000 0.000 0.331 458 G C -0.855 174.084 174.900 0.066 0.000 1.170 458 G CA -0.674 44.399 45.100 -0.046 0.000 0.943 458 G HN 0.545 nan 8.290 nan 0.000 0.483 459 Y N 0.740 120.971 120.300 -0.115 0.000 2.298 459 Y HA 0.321 4.871 4.550 -0.000 0.000 0.329 459 Y C 1.391 177.262 175.900 -0.048 0.000 1.293 459 Y CA -0.046 58.005 58.100 -0.081 0.000 1.388 459 Y CB 1.000 39.409 38.460 -0.084 0.000 1.309 459 Y HN 0.772 nan 8.280 nan 0.000 0.544 460 K N -0.528 119.938 120.400 0.111 0.000 1.939 460 K HA -0.367 3.953 4.320 -0.000 0.000 0.165 460 K C 0.722 177.330 176.600 0.014 0.000 1.508 460 K CA 1.788 58.102 56.287 0.045 0.000 0.525 460 K CB -0.759 31.770 32.500 0.050 0.000 0.615 460 K HN 0.741 nan 8.250 nan 0.000 0.888 461 Q N 0.487 120.266 119.800 -0.034 0.000 2.444 461 Q HA 0.072 4.412 4.340 -0.000 0.000 0.206 461 Q C 1.227 177.268 176.000 0.069 0.000 0.948 461 Q CA 0.553 56.318 55.803 -0.063 0.000 0.946 461 Q CB 0.251 28.845 28.738 -0.239 0.000 1.027 461 Q HN 0.339 nan 8.270 nan 0.000 0.513 462 S N -0.022 115.776 115.700 0.163 0.000 2.515 462 S HA 0.104 4.573 4.470 -0.000 0.000 0.231 462 S C 0.661 175.331 174.600 0.118 0.000 0.987 462 S CA 0.589 58.923 58.200 0.222 0.000 0.936 462 S CB 0.330 63.631 63.200 0.168 0.000 0.766 462 S HN 0.597 nan 8.310 nan 0.000 0.528 463 G N 0.029 108.875 108.800 0.077 0.000 2.343 463 G HA2 0.382 4.342 3.960 -0.000 0.000 0.289 463 G HA3 0.382 4.342 3.960 -0.000 0.000 0.289 463 G C -2.053 172.861 174.900 0.023 0.000 1.295 463 G CA -0.991 44.145 45.100 0.060 0.000 0.869 463 G HN 0.140 nan 8.290 nan 0.000 0.522 464 I N 0.975 121.558 120.570 0.022 0.000 2.569 464 I HA 0.618 4.788 4.170 -0.000 0.000 0.290 464 I C 0.698 176.810 176.117 -0.008 0.000 1.088 464 I CA 0.393 61.688 61.300 -0.008 0.000 1.047 464 I CB 1.715 39.711 38.000 -0.006 0.000 1.237 464 I HN 1.923 nan 8.210 nan 0.000 0.421 465 G N 5.395 114.175 108.800 -0.034 0.000 2.725 465 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.220 465 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.220 465 G C -0.985 173.907 174.900 -0.013 0.000 1.357 465 G CA -0.830 44.253 45.100 -0.028 0.000 0.866 465 G HN 0.556 nan 8.290 nan 0.000 0.548 466 R N 0.199 120.704 120.500 0.009 0.000 2.771 466 R HA 0.602 4.942 4.340 -0.000 0.000 0.274 466 R C -0.409 175.943 176.300 0.086 0.000 0.987 466 R CA -0.719 55.403 56.100 0.037 0.000 0.908 466 R CB 1.794 32.105 30.300 0.017 0.000 1.213 466 R HN 0.761 nan 8.270 nan 0.000 0.468 467 E N 1.813 122.085 120.200 0.119 0.000 2.244 467 E HA 0.592 4.942 4.350 -0.000 0.000 0.266 467 E C -0.331 176.254 176.600 -0.025 0.000 0.914 467 E CA -0.884 55.580 56.400 0.105 0.000 0.794 467 E CB 1.872 31.699 29.700 0.211 0.000 1.210 467 E HN 0.348 nan 8.360 nan 0.000 0.414 468 L N 0.008 121.225 121.223 -0.010 0.000 0.585 468 L HA -0.258 4.082 4.340 -0.000 0.000 0.356 468 L C 0.582 177.484 176.870 0.054 0.000 0.963 468 L CA 0.729 55.543 54.840 -0.043 0.000 1.223 468 L CB -1.348 40.435 42.059 -0.460 0.000 0.011 468 L HN 1.015 nan 8.230 nan 0.000 0.091 469 G N 0.551 109.295 108.800 -0.094 0.000 2.752 469 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.234 469 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.234 469 G C 0.276 175.320 174.900 0.240 0.000 1.367 469 G CA 0.493 45.589 45.100 -0.006 0.000 0.879 469 G HN 0.905 nan 8.290 nan 0.000 0.563 470 K N 0.052 120.576 120.400 0.207 0.000 2.147 470 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 470 K C 2.395 179.099 176.600 0.173 0.000 1.049 470 K CA 1.790 58.193 56.287 0.193 0.000 0.936 470 K CB -0.083 32.490 32.500 0.122 0.000 0.722 470 K HN 0.611 nan 8.250 nan 0.000 0.446 471 E N -0.074 120.202 120.200 0.127 0.000 2.150 471 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 471 E C 2.146 178.824 176.600 0.130 0.000 0.985 471 E CA 0.892 57.349 56.400 0.095 0.000 0.814 471 E CB -0.076 29.653 29.700 0.048 0.000 0.752 471 E HN 0.458 nan 8.360 nan 0.000 0.466 472 G N 1.385 110.299 108.800 0.191 0.000 2.418 472 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 472 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 472 G C 1.557 176.624 174.900 0.278 0.000 1.158 472 G CA 0.485 45.723 45.100 0.230 0.000 0.771 472 G HN 0.164 nan 8.290 nan 0.000 0.545 473 L N 0.518 121.960 121.223 0.366 0.000 2.046 473 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 473 L C 2.655 179.671 176.870 0.243 0.000 1.077 473 L CA 1.948 56.981 54.840 0.321 0.000 0.747 473 L CB -0.366 41.916 42.059 0.372 0.000 0.896 473 L HN 0.328 nan 8.230 nan 0.000 0.432 474 E N -0.713 119.590 120.200 0.171 0.000 2.265 474 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 474 E C 1.863 178.489 176.600 0.042 0.000 0.996 474 E CA 0.786 57.245 56.400 0.098 0.000 0.832 474 E CB -0.040 29.701 29.700 0.068 0.000 0.756 474 E HN 0.526 nan 8.360 nan 0.000 0.491 475 E N -0.044 120.163 120.200 0.012 0.000 2.204 475 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 475 E C 0.927 177.327 176.600 -0.333 0.000 0.990 475 E CA 1.026 57.319 56.400 -0.178 0.000 0.821 475 E CB -0.067 29.465 29.700 -0.280 0.000 0.750 475 E HN 0.493 nan 8.360 nan 0.000 0.477 476 Y N -0.126 120.179 120.300 0.009 0.000 2.493 476 Y HA 0.246 4.796 4.550 -0.000 0.000 0.275 476 Y C 0.782 176.700 175.900 0.029 0.000 1.183 476 Y CA -0.010 58.096 58.100 0.010 0.000 1.258 476 Y CB 0.392 38.849 38.460 -0.004 0.000 1.108 476 Y HN -0.154 nan 8.280 nan 0.000 0.521 477 L N -0.374 120.907 121.223 0.097 0.000 2.323 477 L HA 0.717 5.057 4.340 -0.000 0.000 0.265 477 L C -1.029 175.866 176.870 0.041 0.000 1.012 477 L CA -1.241 53.649 54.840 0.084 0.000 0.820 477 L CB 2.592 44.701 42.059 0.084 0.000 1.334 477 L HN -0.313 nan 8.230 nan 0.000 0.427 478 V N 0.637 120.580 119.914 0.048 0.000 2.709 478 V HA 0.515 4.635 4.120 -0.000 0.000 0.308 478 V C -0.474 175.644 176.094 0.040 0.000 1.062 478 V CA -0.195 62.124 62.300 0.032 0.000 0.901 478 V CB 2.466 34.305 31.823 0.028 0.000 1.003 478 V HN 0.799 nan 8.190 nan 0.000 0.425 479 S N 5.797 121.516 115.700 0.031 0.000 2.537 479 S HA 0.514 4.984 4.470 -0.000 0.000 0.275 479 S C -0.538 174.090 174.600 0.047 0.000 1.272 479 S CA -0.400 57.822 58.200 0.035 0.000 1.050 479 S CB 0.909 64.123 63.200 0.023 0.000 0.961 479 S HN 0.727 nan 8.310 nan 0.000 0.496 480 K N 2.180 122.615 120.400 0.059 0.000 2.426 480 K HA 0.225 4.545 4.320 -0.000 0.000 0.254 480 K C -1.252 175.419 176.600 0.119 0.000 0.936 480 K CA -0.530 55.801 56.287 0.074 0.000 0.801 480 K CB 0.999 33.533 32.500 0.056 0.000 1.139 480 K HN 0.876 nan 8.250 nan 0.000 0.424 481 H N 6.335 125.408 119.070 0.005 0.000 2.640 481 H HA 0.287 4.843 4.556 0.000 0.000 0.297 481 H C -0.794 174.536 175.328 0.003 0.000 1.073 481 H CA -0.661 55.389 56.048 0.003 0.000 1.305 481 H CB 0.562 30.324 29.762 -0.000 0.000 1.404 481 H HN 0.481 nan 8.280 nan 0.000 0.459 482 I N 7.518 128.106 120.570 0.030 0.000 2.330 482 I HA 0.139 4.309 4.170 -0.000 0.000 0.289 482 I C -0.610 175.411 176.117 -0.160 0.000 1.001 482 I CA -0.528 60.715 61.300 -0.096 0.000 1.193 482 I CB 1.586 39.576 38.000 -0.017 0.000 1.345 482 I HN 0.437 nan 8.210 nan 0.000 0.461 483 L N 6.676 127.720 121.223 -0.298 0.000 2.305 483 L HA 0.536 4.876 4.340 -0.000 0.000 0.284 483 L C -0.529 176.280 176.870 -0.102 0.000 1.013 483 L CA 0.023 54.739 54.840 -0.207 0.000 0.819 483 L CB 1.546 43.417 42.059 -0.315 0.000 1.227 483 L HN 0.495 nan 8.230 nan 0.000 0.417 484 T N 3.347 117.874 114.554 -0.044 0.000 2.758 484 T HA 0.270 4.620 4.350 -0.000 0.000 0.285 484 T C -0.306 174.385 174.700 -0.015 0.000 0.981 484 T CA -0.424 61.660 62.100 -0.027 0.000 0.965 484 T CB 0.747 69.607 68.868 -0.014 0.000 0.927 484 T HN 0.478 nan 8.240 nan 0.000 0.448 485 N N 2.419 121.110 118.700 -0.015 0.000 2.406 485 N HA 0.077 4.817 4.740 -0.000 0.000 0.251 485 N C 1.201 176.710 175.510 -0.002 0.000 1.069 485 N CA -0.245 52.801 53.050 -0.006 0.000 0.947 485 N CB 1.173 39.657 38.487 -0.006 0.000 1.111 485 N HN 0.709 nan 8.380 nan 0.000 0.497 486 T N -0.053 114.502 114.554 0.001 0.000 3.129 486 T HA 0.080 4.430 4.350 -0.000 0.000 0.251 486 T C 0.534 175.236 174.700 0.004 0.000 1.117 486 T CA 0.046 62.148 62.100 0.002 0.000 1.034 486 T CB -0.112 68.758 68.868 0.004 0.000 0.968 486 T HN 0.395 nan 8.240 nan 0.000 0.526 487 N N 2.185 120.888 118.700 0.005 0.000 2.687 487 N HA 0.327 5.067 4.740 -0.000 0.000 0.275 487 N C -3.182 172.333 175.510 0.008 0.000 1.789 487 N CA -1.772 51.282 53.050 0.006 0.000 0.806 487 N CB 1.049 39.541 38.487 0.007 0.000 1.256 487 N HN 0.125 nan 8.380 nan 0.000 0.500 488 P HA 0.170 nan 4.420 nan 0.000 0.271 488 P C -0.876 176.431 177.300 0.013 0.000 1.220 488 P CA 0.138 63.244 63.100 0.009 0.000 0.768 488 P CB 0.907 32.611 31.700 0.007 0.000 0.848 489 Q N 1.672 121.483 119.800 0.017 0.000 2.397 489 Q HA 0.389 4.729 4.340 -0.000 0.000 0.275 489 Q C -0.423 175.595 176.000 0.031 0.000 1.090 489 Q CA -1.211 54.605 55.803 0.022 0.000 0.809 489 Q CB 1.806 30.557 28.738 0.021 0.000 1.362 489 Q HN 0.290 nan 8.270 nan 0.000 0.431 490 L N 1.348 122.592 121.223 0.036 0.000 2.540 490 L HA -0.028 4.312 4.340 -0.000 0.000 0.276 490 L C 1.488 178.394 176.870 0.060 0.000 1.212 490 L CA 0.577 55.447 54.840 0.050 0.000 0.893 490 L CB 0.187 42.277 42.059 0.051 0.000 1.138 490 L HN 0.557 nan 8.230 nan 0.000 0.491 491 V N 1.732 121.694 119.914 0.080 0.000 2.488 491 V HA -0.129 3.991 4.120 -0.000 0.000 0.246 491 V C 0.916 177.083 176.094 0.121 0.000 1.046 491 V CA 0.758 63.118 62.300 0.100 0.000 1.053 491 V CB -0.689 31.200 31.823 0.111 0.000 0.679 491 V HN 1.021 nan 8.190 nan 0.000 0.458 492 N N -1.057 117.720 118.700 0.129 0.000 2.721 492 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 492 N C 0.568 176.140 175.510 0.103 0.000 1.072 492 N CA 1.055 54.172 53.050 0.111 0.000 0.710 492 N CB -1.398 37.123 38.487 0.057 0.000 0.993 492 N HN 0.804 nan 8.380 nan 0.000 0.547 493 W N 0.079 121.330 121.300 -0.083 0.000 2.407 493 W HA 0.015 4.675 4.660 -0.000 0.000 0.305 493 W C 0.111 176.429 176.519 -0.334 0.000 1.196 493 W CA 0.794 57.983 57.345 -0.260 0.000 1.311 493 W CB -0.104 29.105 29.460 -0.418 0.000 1.135 493 W HN 0.057 nan 8.180 nan 0.000 0.514 494 F N 1.785 121.888 119.950 0.255 0.000 2.385 494 F HA 0.200 4.727 4.527 0.000 0.000 0.336 494 F C 1.131 176.959 175.800 0.047 0.000 1.100 494 F CA -0.361 57.725 58.000 0.144 0.000 1.116 494 F CB 0.849 39.961 39.000 0.188 0.000 1.166 494 F HN -0.426 nan 8.300 nan 0.000 0.511 495 S N 2.349 118.170 115.700 0.202 0.000 2.563 495 S HA 0.237 4.707 4.470 -0.000 0.000 0.284 495 S C 0.011 174.670 174.600 0.098 0.000 1.331 495 S CA -0.473 57.785 58.200 0.096 0.000 1.047 495 S CB 0.395 63.634 63.200 0.065 0.000 0.859 495 S HN 0.647 nan 8.310 nan 0.000 0.514 496 K N 0.000 120.435 120.400 0.058 0.000 2.780 496 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 496 K CA 0.000 56.316 56.287 0.049 0.000 0.838 496 K CB 0.000 32.530 32.500 0.050 0.000 1.064 496 K HN 0.000 nan 8.250 nan 0.000 0.543