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 3c0n_1_B DATA FIRST_RESID 1 DATA SEQUENCE AEPVYPDQLR LFSLGQGVcG DKYRPVNREE AQSVKSNIVG MMGQWQISGL DATA SEQUENCE ANGWVIMGPG YNGEIKPGTA SNTWcYPTNP VTGEIPTLSA LDIPDGDEVD DATA SEQUENCE VQWRLVHDSA NFIKPTSYLA HYLGYAWVGG NHSQYVGEDM DVTRDGDGWV DATA SEQUENCE IRGNNDGGcD GYRcGDKTAI KVSNFAYNLD PDSFKHGDVT QSDRQLVKTV DATA SEQUENCE VGWAVNDSDT PQSGYDVTLR GDTATNWSKT NTYGLSEKVT TKNKFKWPLV DATA SEQUENCE GETELSIEIA ANQSWASQNG GSTTTSLSQS VRPTVPARSK IPVKIELYKA DATA SEQUENCE DISYPYEFKA DVSYDLTLSG FLRWGGNAWY THPDNRPNWN HTFVIGPYKD DATA SEQUENCE KASSIRYQWD KRYIPGEVKW WDWNWTIQQN GLSTMQNNLA RVLRPVRAGI DATA SEQUENCE TGDFSAESQF AGNIEIGAPV PLXXXXXXXX XXXXXXXXXX LRLEIPLDAQ DATA SEQUENCE ELSGLGFNNV SLSVTPAA 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.581 177.584 -0.005 0.000 1.274 1 A CA 0.000 52.114 52.037 0.128 0.000 0.836 1 A CB 0.000 19.220 19.000 0.367 0.000 0.831 2 E N 1.089 121.259 120.200 -0.050 0.000 2.153 2 E HA -0.050 3.426 4.350 -1.456 0.000 0.194 2 E C -1.201 175.282 176.600 -0.195 0.000 0.988 2 E CA 0.752 57.093 56.400 -0.097 0.000 0.811 2 E CB -0.489 29.165 29.700 -0.076 0.000 0.746 2 E HN 0.700 nan 8.360 nan 0.000 0.466 3 P HA -0.017 nan 4.420 nan 0.000 0.268 3 P C -0.613 176.292 177.300 -0.658 0.000 1.208 3 P CA 0.223 63.085 63.100 -0.397 0.000 0.777 3 P CB 0.892 32.387 31.700 -0.342 0.000 0.875 4 V N 3.412 123.003 119.914 -0.538 0.000 2.432 4 V HA 0.068 3.314 4.120 -1.456 0.000 0.271 4 V C -0.244 175.600 176.094 -0.416 0.000 1.046 4 V CA -0.193 61.763 62.300 -0.572 0.000 0.945 4 V CB -0.532 30.964 31.823 -0.546 0.000 0.992 4 V HN 0.346 nan 8.190 nan 0.000 0.471 5 Y N 7.675 128.046 120.300 0.117 0.000 2.454 5 Y HA 0.326 4.005 4.550 -1.451 0.000 0.345 5 Y C -1.182 174.819 175.900 0.168 0.000 0.970 5 Y CA -2.801 55.385 58.100 0.143 0.000 1.204 5 Y CB 0.788 39.355 38.460 0.178 0.000 1.122 5 Y HN 0.497 nan 8.280 nan 0.000 0.514 6 P HA -0.165 nan 4.420 nan 0.000 0.222 6 P C 0.693 178.033 177.300 0.066 0.000 1.147 6 P CA 1.412 64.534 63.100 0.037 0.000 0.790 6 P CB 0.339 31.999 31.700 -0.066 0.000 0.780 7 D N -0.669 119.801 120.400 0.117 0.000 2.363 7 D HA -0.118 3.648 4.640 -1.456 0.000 0.226 7 D C 1.496 177.861 176.300 0.108 0.000 1.020 7 D CA 0.624 54.673 54.000 0.082 0.000 0.892 7 D CB -0.646 40.183 40.800 0.048 0.000 0.900 7 D HN 0.233 nan 8.370 nan 0.000 0.531 8 Q N -0.367 119.539 119.800 0.176 0.000 2.247 8 Q HA 0.282 3.748 4.340 -1.456 0.000 0.211 8 Q C 0.296 176.418 176.000 0.204 0.000 0.861 8 Q CA -0.302 55.586 55.803 0.140 0.000 0.949 8 Q CB 0.955 29.728 28.738 0.059 0.000 1.115 8 Q HN 0.285 nan 8.270 nan 0.000 0.507 9 L N 1.656 123.037 121.223 0.263 0.000 2.461 9 L HA 0.171 3.637 4.340 -1.456 0.000 0.272 9 L C 0.149 177.223 176.870 0.341 0.000 1.197 9 L CA 0.184 55.225 54.840 0.335 0.000 0.836 9 L CB 0.346 42.457 42.059 0.087 0.000 1.105 9 L HN -0.038 nan 8.230 nan 0.000 0.477 10 R N 2.699 123.409 120.500 0.349 0.000 2.621 10 R HA 0.479 3.945 4.340 -1.456 0.000 0.284 10 R C -1.308 174.976 176.300 -0.028 0.000 0.998 10 R CA -0.923 55.186 56.100 0.016 0.000 0.895 10 R CB 1.920 31.894 30.300 -0.542 0.000 1.195 10 R HN 0.380 nan 8.270 nan 0.000 0.450 11 L N 2.963 124.002 121.223 -0.306 0.000 2.276 11 L HA 0.513 3.980 4.340 -1.456 0.000 0.286 11 L C -1.126 175.415 176.870 -0.549 0.000 1.061 11 L CA -0.014 54.509 54.840 -0.528 0.000 0.807 11 L CB 0.363 41.896 42.059 -0.876 0.000 1.177 11 L HN 0.390 nan 8.230 nan 0.000 0.429 12 F N 2.100 121.922 119.950 -0.214 0.000 2.480 12 F HA 0.393 4.044 4.527 -1.460 0.000 0.329 12 F C 0.640 176.358 175.800 -0.137 0.000 1.091 12 F CA -0.451 57.459 58.000 -0.151 0.000 0.972 12 F CB 2.026 40.964 39.000 -0.104 0.000 1.150 12 F HN 0.509 nan 8.300 nan 0.000 0.467 13 S N 3.186 118.921 115.700 0.058 0.000 2.835 13 S HA 0.422 4.018 4.470 -1.456 0.000 0.194 13 S C -0.208 174.419 174.600 0.045 0.000 1.364 13 S CA -0.430 57.776 58.200 0.012 0.000 1.167 13 S CB -0.615 62.570 63.200 -0.024 0.000 1.223 13 S HN 0.686 nan 8.310 nan 0.000 0.512 14 L N 1.358 122.618 121.223 0.061 0.000 3.069 14 L HA 0.545 4.011 4.340 -1.456 0.000 0.271 14 L C 1.037 177.918 176.870 0.018 0.000 1.201 14 L CA -0.015 54.848 54.840 0.039 0.000 1.015 14 L CB 0.079 42.159 42.059 0.036 0.000 1.371 14 L HN 0.815 nan 8.230 nan 0.000 0.574 15 G N 0.764 109.573 108.800 0.016 0.000 2.541 15 G HA2 -0.186 2.900 3.960 -1.456 0.000 0.686 15 G HA3 -0.186 2.900 3.960 -1.456 0.000 0.686 15 G C -0.812 174.097 174.900 0.014 0.000 1.286 15 G CA -0.847 44.259 45.100 0.010 0.000 0.894 15 G HN 0.119 nan 8.290 nan 0.000 0.575 16 Q N 0.395 120.202 119.800 0.013 0.000 2.255 16 Q HA 0.468 3.935 4.340 -1.456 0.000 0.280 16 Q C 1.507 177.524 176.000 0.028 0.000 1.068 16 Q CA 1.960 57.775 55.803 0.020 0.000 0.911 16 Q CB 0.142 28.888 28.738 0.013 0.000 1.157 16 Q HN 2.597 nan 8.270 nan 0.000 0.380 17 G N 2.748 111.575 108.800 0.045 0.000 2.187 17 G HA2 -0.236 2.850 3.960 -1.456 0.000 0.261 17 G HA3 -0.236 2.850 3.960 -1.456 0.000 0.261 17 G C -0.273 174.647 174.900 0.033 0.000 1.000 17 G CA 0.279 45.411 45.100 0.054 0.000 0.718 17 G HN 0.607 nan 8.290 nan 0.000 0.519 18 V N 0.320 120.244 119.914 0.018 0.000 2.394 18 V HA 0.560 3.806 4.120 -1.456 0.000 0.282 18 V C 0.764 176.814 176.094 -0.073 0.000 1.031 18 V CA -0.650 61.637 62.300 -0.022 0.000 0.881 18 V CB 1.353 33.163 31.823 -0.021 0.000 0.982 18 V HN 0.424 nan 8.190 nan 0.000 0.451 19 c N 3.233 121.732 118.600 -0.169 0.000 2.595 19 c HA 0.859 4.555 4.570 -1.456 0.000 0.338 19 c C 1.136 174.811 174.090 -0.691 0.000 1.219 19 c CA -0.728 55.327 56.329 -0.457 0.000 1.811 19 c CB 1.407 43.778 42.510 -0.232 0.000 2.313 19 c HN 1.020 nan 8.230 nan 0.000 0.499 20 G N 0.398 108.265 108.800 -1.555 0.000 2.616 20 G HA2 0.370 3.457 3.960 -1.456 0.000 0.268 20 G HA3 0.370 3.457 3.960 -1.456 0.000 0.268 20 G C -0.620 174.102 174.900 -0.297 0.000 1.213 20 G CA -0.135 44.452 45.100 -0.854 0.000 0.926 20 G HN 0.778 nan 8.290 nan 0.000 0.523 21 D N -0.243 120.110 120.400 -0.077 0.000 2.443 21 D HA 0.129 3.895 4.640 -1.456 0.000 0.239 21 D C 0.760 177.109 176.300 0.082 0.000 1.136 21 D CA 0.634 54.634 54.000 0.000 0.000 0.879 21 D CB 0.914 41.724 40.800 0.017 0.000 1.195 21 D HN 0.541 nan 8.370 nan 0.000 0.443 22 K N -0.358 120.049 120.400 0.011 0.000 3.512 22 K HA -0.217 3.229 4.320 -1.456 0.000 0.309 22 K C -0.750 175.698 176.600 -0.253 0.000 1.350 22 K CA 0.912 57.145 56.287 -0.091 0.000 0.960 22 K CB -1.301 31.149 32.500 -0.083 0.000 1.290 22 K HN 0.465 nan 8.250 nan 0.000 0.454 23 Y N 0.088 120.370 120.300 -0.030 0.000 2.576 23 Y HA 0.583 4.257 4.550 -1.460 0.000 0.346 23 Y C 0.023 175.917 175.900 -0.010 0.000 1.018 23 Y CA -1.068 57.041 58.100 0.014 0.000 1.050 23 Y CB 1.667 40.181 38.460 0.090 0.000 1.280 23 Y HN 0.039 nan 8.280 nan 0.000 0.474 24 R N -0.204 120.435 120.500 0.232 0.000 2.740 24 R HA 0.641 4.107 4.340 -1.456 0.000 0.273 24 R C -3.540 172.889 176.300 0.214 0.000 0.998 24 R CA -2.566 53.627 56.100 0.156 0.000 0.900 24 R CB 0.519 30.880 30.300 0.103 0.000 1.223 24 R HN 0.145 nan 8.270 nan 0.000 0.466 25 P HA 0.019 nan 4.420 nan 0.000 0.267 25 P C -0.346 177.053 177.300 0.165 0.000 1.205 25 P CA -0.332 62.875 63.100 0.178 0.000 0.765 25 P CB 0.478 32.257 31.700 0.130 0.000 0.828 26 V N 4.000 124.031 119.914 0.195 0.000 2.673 26 V HA -0.029 3.217 4.120 -1.456 0.000 0.303 26 V C 1.107 177.230 176.094 0.048 0.000 1.046 26 V CA 0.237 62.598 62.300 0.101 0.000 1.126 26 V CB -0.374 31.513 31.823 0.106 0.000 0.934 26 V HN 0.693 nan 8.190 nan 0.000 0.487 27 N N 4.745 123.426 118.700 -0.032 0.000 2.447 27 N HA 0.272 4.138 4.740 -1.456 0.000 0.271 27 N C 0.928 176.359 175.510 -0.132 0.000 1.226 27 N CA -0.649 52.360 53.050 -0.068 0.000 0.980 27 N CB 0.491 38.925 38.487 -0.087 0.000 1.206 27 N HN 0.567 nan 8.380 nan 0.000 0.558 28 R N -0.445 119.909 120.500 -0.244 0.000 2.115 28 R HA -0.056 3.410 4.340 -1.456 0.000 0.230 28 R C 0.796 176.924 176.300 -0.287 0.000 1.111 28 R CA 1.443 57.339 56.100 -0.340 0.000 0.976 28 R CB -0.498 29.319 30.300 -0.804 0.000 0.870 28 R HN 0.648 nan 8.270 nan 0.000 0.445 29 E N 1.342 121.382 120.200 -0.266 0.000 2.046 29 E HA -0.135 3.342 4.350 -1.456 0.000 0.190 29 E C 1.873 178.364 176.600 -0.181 0.000 0.982 29 E CA 1.523 57.796 56.400 -0.211 0.000 0.800 29 E CB -0.046 29.542 29.700 -0.186 0.000 0.756 29 E HN 0.504 nan 8.360 nan 0.000 0.449 30 E N 0.719 120.807 120.200 -0.186 0.000 2.058 30 E HA -0.215 3.261 4.350 -1.456 0.000 0.194 30 E C 2.135 178.616 176.600 -0.198 0.000 0.997 30 E CA 1.061 57.337 56.400 -0.208 0.000 0.801 30 E CB -0.204 29.353 29.700 -0.238 0.000 0.746 30 E HN 0.289 nan 8.360 nan 0.000 0.450 31 A N 1.103 123.822 122.820 -0.169 0.000 1.902 31 A HA -0.284 3.162 4.320 -1.456 0.000 0.217 31 A C 2.159 179.664 177.584 -0.132 0.000 1.181 31 A CA 1.815 53.764 52.037 -0.147 0.000 0.623 31 A CB -0.545 18.399 19.000 -0.093 0.000 0.818 31 A HN 0.143 nan 8.150 nan 0.000 0.443 32 Q N 0.942 120.665 119.800 -0.129 0.000 2.096 32 Q HA -0.166 3.300 4.340 -1.456 0.000 0.204 32 Q C 2.190 178.127 176.000 -0.105 0.000 0.982 32 Q CA 2.623 58.361 55.803 -0.108 0.000 0.850 32 Q CB -0.612 28.055 28.738 -0.119 0.000 0.901 32 Q HN 0.739 nan 8.270 nan 0.000 0.422 33 S N -1.260 114.365 115.700 -0.125 0.000 2.442 33 S HA -0.085 3.511 4.470 -1.456 0.000 0.236 33 S C 1.192 175.723 174.600 -0.115 0.000 1.007 33 S CA 0.959 59.087 58.200 -0.120 0.000 0.965 33 S CB -0.206 62.910 63.200 -0.141 0.000 0.773 33 S HN 0.439 nan 8.310 nan 0.000 0.504 34 V N -2.205 117.633 119.914 -0.127 0.000 2.925 34 V HA 0.502 3.748 4.120 -1.456 0.000 0.361 34 V C 1.260 177.284 176.094 -0.116 0.000 1.361 34 V CA -0.360 61.869 62.300 -0.118 0.000 1.184 34 V CB -0.319 31.421 31.823 -0.138 0.000 1.245 34 V HN 0.277 nan 8.190 nan 0.000 0.575 35 K N 2.569 122.911 120.400 -0.097 0.000 2.015 35 K HA -0.281 3.165 4.320 -1.456 0.000 0.220 35 K C 2.372 178.931 176.600 -0.069 0.000 1.055 35 K CA 3.098 59.339 56.287 -0.077 0.000 0.951 35 K CB -0.341 32.129 32.500 -0.050 0.000 0.725 35 K HN 0.799 nan 8.250 nan 0.000 0.449 36 S N 0.121 115.787 115.700 -0.056 0.000 2.383 36 S HA -0.169 3.428 4.470 -1.456 0.000 0.229 36 S C 1.588 176.154 174.600 -0.057 0.000 1.030 36 S CA 1.699 59.871 58.200 -0.046 0.000 1.002 36 S CB -0.719 62.458 63.200 -0.038 0.000 0.829 36 S HN 0.427 nan 8.310 nan 0.000 0.467 37 N N 1.856 120.510 118.700 -0.076 0.000 2.142 37 N HA 0.124 3.990 4.740 -1.456 0.000 0.186 37 N C 1.692 177.123 175.510 -0.132 0.000 1.023 37 N CA 1.561 54.560 53.050 -0.085 0.000 0.852 37 N CB -0.447 37.991 38.487 -0.082 0.000 0.998 37 N HN 0.433 nan 8.380 nan 0.000 0.424 38 I N 0.058 120.511 120.570 -0.195 0.000 2.163 38 I HA -0.197 3.099 4.170 -1.456 0.000 0.240 38 I C 1.832 177.872 176.117 -0.128 0.000 1.081 38 I CA 0.840 61.944 61.300 -0.327 0.000 1.353 38 I CB -0.397 37.345 38.000 -0.430 0.000 1.054 38 I HN -0.017 nan 8.210 nan 0.000 0.407 39 V N 1.354 121.240 119.914 -0.047 0.000 2.469 39 V HA -0.234 3.012 4.120 -1.456 0.000 0.251 39 V C 2.494 178.606 176.094 0.029 0.000 1.064 39 V CA 2.108 64.427 62.300 0.032 0.000 1.066 39 V CB -1.443 30.394 31.823 0.023 0.000 0.667 39 V HN 0.619 nan 8.190 nan 0.000 0.461 40 G N -1.047 107.749 108.800 -0.006 0.000 2.559 40 G HA2 -0.150 2.936 3.960 -1.456 0.000 0.216 40 G HA3 -0.150 2.936 3.960 -1.456 0.000 0.216 40 G C 1.317 176.231 174.900 0.022 0.000 1.126 40 G CA 0.310 45.407 45.100 -0.005 0.000 0.778 40 G HN 0.511 nan 8.290 nan 0.000 0.543 41 M N -0.021 119.610 119.600 0.052 0.000 2.419 41 M HA 0.422 4.028 4.480 -1.456 0.000 0.252 41 M C 0.252 176.700 176.300 0.248 0.000 1.143 41 M CA 0.133 55.512 55.300 0.132 0.000 0.985 41 M CB 0.457 33.127 32.600 0.118 0.000 1.489 41 M HN 0.064 nan 8.290 nan 0.000 0.484 42 M N -0.630 119.087 119.600 0.195 0.000 2.644 42 M HA 0.521 4.127 4.480 -1.456 0.000 0.316 42 M C 0.613 176.963 176.300 0.083 0.000 1.200 42 M CA -0.722 54.697 55.300 0.197 0.000 0.944 42 M CB 1.745 34.496 32.600 0.252 0.000 1.691 42 M HN 0.108 nan 8.290 nan 0.000 0.471 43 G N 0.177 109.013 108.800 0.060 0.000 2.606 43 G HA2 0.141 3.227 3.960 -1.456 0.000 0.252 43 G HA3 0.141 3.227 3.960 -1.456 0.000 0.252 43 G C 0.333 175.201 174.900 -0.053 0.000 1.206 43 G CA -0.268 44.833 45.100 0.003 0.000 0.861 43 G HN 0.878 nan 8.290 nan 0.000 0.561 44 Q N -0.123 119.566 119.800 -0.185 0.000 2.029 44 Q HA -0.177 3.289 4.340 -1.456 0.000 0.209 44 Q C 1.381 177.067 176.000 -0.524 0.000 0.999 44 Q CA 2.395 57.909 55.803 -0.481 0.000 0.857 44 Q CB -0.226 28.065 28.738 -0.745 0.000 0.926 44 Q HN 0.726 nan 8.270 nan 0.000 0.415 45 W N 0.880 122.153 121.300 -0.044 0.000 3.102 45 W HA 0.344 4.128 4.660 -1.461 0.000 0.401 45 W C 0.031 176.681 176.519 0.218 0.000 1.070 45 W CA -0.978 56.348 57.345 -0.032 0.000 1.921 45 W CB 0.326 29.716 29.460 -0.116 0.000 1.118 45 W HN 0.191 nan 8.180 nan 0.000 0.647 46 Q N 1.784 121.759 119.800 0.292 0.000 2.364 46 Q HA 0.253 3.719 4.340 -1.456 0.000 0.267 46 Q C -0.391 175.768 176.000 0.265 0.000 0.999 46 Q CA 0.567 56.506 55.803 0.227 0.000 0.886 46 Q CB 0.645 29.463 28.738 0.134 0.000 1.243 46 Q HN 0.213 nan 8.270 nan 0.000 0.415 47 I N 2.858 123.534 120.570 0.177 0.000 2.439 47 I HA 0.250 3.546 4.170 -1.456 0.000 0.285 47 I C -0.827 175.329 176.117 0.065 0.000 1.021 47 I CA -0.424 60.947 61.300 0.119 0.000 1.091 47 I CB 2.028 40.067 38.000 0.065 0.000 1.242 47 I HN 0.477 nan 8.210 nan 0.000 0.439 48 S N 3.286 119.038 115.700 0.087 0.000 2.513 48 S HA 0.656 4.252 4.470 -1.456 0.000 0.299 48 S C 0.141 174.811 174.600 0.116 0.000 1.087 48 S CA -0.666 57.548 58.200 0.024 0.000 1.012 48 S CB 2.094 65.210 63.200 -0.139 0.000 1.044 48 S HN 0.746 nan 8.310 nan 0.000 0.485 49 G N 1.504 110.353 108.800 0.081 0.000 2.444 49 G HA2 0.590 3.676 3.960 -1.456 0.000 0.268 49 G HA3 0.590 3.676 3.960 -1.456 0.000 0.268 49 G C -0.731 174.293 174.900 0.207 0.000 1.203 49 G CA -0.373 44.805 45.100 0.130 0.000 0.835 49 G HN 0.568 nan 8.290 nan 0.000 0.543 50 L N 0.581 121.935 121.223 0.219 0.000 2.279 50 L HA 0.690 4.156 4.340 -1.456 0.000 0.262 50 L C 0.898 177.885 176.870 0.196 0.000 1.019 50 L CA -1.307 53.663 54.840 0.218 0.000 0.823 50 L CB 1.779 43.966 42.059 0.214 0.000 1.358 50 L HN 0.632 nan 8.230 nan 0.000 0.432 51 A N 0.506 123.417 122.820 0.151 0.000 2.507 51 A HA 0.135 3.581 4.320 -1.456 0.000 0.235 51 A C 0.453 178.157 177.584 0.201 0.000 1.070 51 A CA -0.052 52.066 52.037 0.134 0.000 0.768 51 A CB -0.273 18.775 19.000 0.079 0.000 1.011 51 A HN 0.939 nan 8.150 nan 0.000 0.502 52 N N -0.027 118.774 118.700 0.169 0.000 2.725 52 N HA -0.207 3.659 4.740 -1.456 0.000 0.251 52 N C 0.772 176.429 175.510 0.245 0.000 1.031 52 N CA 1.982 55.149 53.050 0.196 0.000 0.720 52 N CB -1.604 37.004 38.487 0.202 0.000 0.930 52 N HN 2.158 nan 8.380 nan 0.000 0.543 53 G N -2.371 106.520 108.800 0.151 0.000 2.160 53 G HA2 -0.294 2.792 3.960 -1.456 0.000 0.244 53 G HA3 -0.294 2.792 3.960 -1.456 0.000 0.244 53 G C -0.173 174.680 174.900 -0.078 0.000 1.022 53 G CA 0.444 45.558 45.100 0.023 0.000 0.741 53 G HN 0.446 nan 8.290 nan 0.000 0.508 54 W N -1.109 120.202 121.300 0.019 0.000 2.655 54 W HA 0.740 5.394 4.660 -0.009 0.000 0.358 54 W C 0.412 176.951 176.519 0.033 0.000 1.100 54 W CA -0.359 56.998 57.345 0.019 0.000 1.195 54 W CB 1.841 31.313 29.460 0.020 0.000 1.403 54 W HN 0.642 nan 8.180 nan 0.000 0.589 55 V N 0.201 120.281 119.914 0.277 0.000 3.159 55 V HA 0.684 3.930 4.120 -1.456 0.000 0.308 55 V C -1.390 174.826 176.094 0.205 0.000 1.190 55 V CA -1.408 61.007 62.300 0.191 0.000 1.037 55 V CB 1.837 33.711 31.823 0.085 0.000 1.060 55 V HN 0.602 nan 8.190 nan 0.000 0.437 56 I N 2.471 123.159 120.570 0.197 0.000 2.509 56 I HA 0.639 3.935 4.170 -1.456 0.000 0.293 56 I C -0.436 175.783 176.117 0.170 0.000 1.020 56 I CA -0.914 60.496 61.300 0.183 0.000 1.088 56 I CB 1.909 40.026 38.000 0.196 0.000 1.267 56 I HN 0.748 nan 8.210 nan 0.000 0.430 57 M N 5.414 125.099 119.600 0.142 0.000 2.598 57 M HA 0.447 4.053 4.480 -1.456 0.000 0.317 57 M C 0.549 177.004 176.300 0.258 0.000 1.201 57 M CA -0.669 54.737 55.300 0.177 0.000 0.971 57 M CB 1.466 34.094 32.600 0.045 0.000 1.657 57 M HN 0.691 nan 8.290 nan 0.000 0.470 58 G N 1.127 110.133 108.800 0.344 0.000 2.683 58 G HA2 0.245 3.332 3.960 -1.456 0.000 0.260 58 G HA3 0.245 3.332 3.960 -1.456 0.000 0.260 58 G C -1.800 173.172 174.900 0.119 0.000 1.238 58 G CA -0.948 44.273 45.100 0.202 0.000 0.934 58 G HN 0.474 nan 8.290 nan 0.000 0.534 59 P HA -0.078 nan 4.420 nan 0.000 0.218 59 P C 1.856 179.055 177.300 -0.169 0.000 1.149 59 P CA 1.587 64.646 63.100 -0.069 0.000 0.817 59 P CB -0.103 31.537 31.700 -0.100 0.000 0.785 60 G N -1.216 107.330 108.800 -0.422 0.000 2.448 60 G HA2 -0.237 2.849 3.960 -1.456 0.000 0.219 60 G HA3 -0.237 2.849 3.960 -1.456 0.000 0.219 60 G C 0.890 175.617 174.900 -0.288 0.000 1.127 60 G CA 0.382 45.011 45.100 -0.786 0.000 0.766 60 G HN 0.231 nan 8.290 nan 0.000 0.552 61 Y N 0.092 120.423 120.300 0.052 0.000 2.461 61 Y HA 0.198 3.878 4.550 -1.450 0.000 0.277 61 Y C 1.033 176.993 175.900 0.101 0.000 1.182 61 Y CA -0.693 57.524 58.100 0.194 0.000 1.276 61 Y CB -0.541 38.050 38.460 0.218 0.000 1.087 61 Y HN 0.329 nan 8.280 nan 0.000 0.519 62 N N -1.032 117.769 118.700 0.168 0.000 2.776 62 N HA -0.198 3.668 4.740 -1.456 0.000 0.250 62 N C 0.954 176.526 175.510 0.103 0.000 1.112 62 N CA 0.288 53.401 53.050 0.104 0.000 0.733 62 N CB -1.299 37.248 38.487 0.101 0.000 1.097 62 N HN 0.506 nan 8.380 nan 0.000 0.558 63 G N 0.571 109.447 108.800 0.127 0.000 2.341 63 G HA2 -0.394 2.692 3.960 -1.456 0.000 0.292 63 G HA3 -0.394 2.692 3.960 -1.456 0.000 0.292 63 G C -0.133 174.827 174.900 0.099 0.000 1.021 63 G CA 0.802 45.967 45.100 0.108 0.000 0.905 63 G HN 0.738 nan 8.290 nan 0.000 0.508 64 E N -0.376 119.894 120.200 0.116 0.000 2.344 64 E HA 0.328 3.804 4.350 -1.456 0.000 0.270 64 E C 0.354 177.011 176.600 0.096 0.000 1.021 64 E CA -0.508 55.947 56.400 0.092 0.000 0.887 64 E CB 0.262 30.013 29.700 0.084 0.000 0.997 64 E HN 0.379 nan 8.360 nan 0.000 0.429 65 I N 5.574 126.213 120.570 0.115 0.000 2.304 65 I HA 0.207 3.503 4.170 -1.456 0.000 0.291 65 I C -0.165 176.123 176.117 0.284 0.000 1.018 65 I CA -0.254 61.153 61.300 0.178 0.000 1.260 65 I CB 0.768 38.845 38.000 0.129 0.000 1.390 65 I HN 0.467 nan 8.210 nan 0.000 0.475 66 K N 6.582 127.158 120.400 0.292 0.000 2.522 66 K HA 0.713 4.159 4.320 -1.456 0.000 0.275 66 K C -3.119 173.396 176.600 -0.141 0.000 1.006 66 K CA -1.969 54.410 56.287 0.154 0.000 0.890 66 K CB 1.241 33.742 32.500 0.003 0.000 1.475 66 K HN -0.019 nan 8.250 nan 0.000 0.441 67 P HA 0.328 nan 4.420 nan 0.000 0.272 67 P C -0.438 176.647 177.300 -0.359 0.000 1.223 67 P CA 0.112 62.704 63.100 -0.846 0.000 0.784 67 P CB 0.945 32.116 31.700 -0.882 0.000 0.923 68 G N -0.029 108.615 108.800 -0.261 0.000 2.321 68 G HA2 0.458 3.544 3.960 -1.456 0.000 0.298 68 G HA3 0.458 3.544 3.960 -1.456 0.000 0.298 68 G C -1.444 173.404 174.900 -0.086 0.000 1.385 68 G CA -0.552 44.462 45.100 -0.144 0.000 0.856 68 G HN 0.602 nan 8.290 nan 0.000 0.584 69 T N -2.081 112.439 114.554 -0.057 0.000 2.856 69 T HA 0.933 4.409 4.350 -1.456 0.000 0.283 69 T C -0.102 174.591 174.700 -0.012 0.000 1.008 69 T CA 0.084 62.167 62.100 -0.029 0.000 0.997 69 T CB 1.945 70.795 68.868 -0.030 0.000 0.992 69 T HN 2.219 nan 8.240 nan 0.000 0.454 70 A N 1.327 124.150 122.820 0.004 0.000 2.520 70 A HA 0.674 4.120 4.320 -1.456 0.000 0.298 70 A C 0.786 178.373 177.584 0.006 0.000 1.051 70 A CA -0.444 51.597 52.037 0.007 0.000 0.690 70 A CB 1.353 20.363 19.000 0.018 0.000 1.281 70 A HN 1.165 nan 8.150 nan 0.000 0.402 71 S N 0.736 116.435 115.700 -0.001 0.000 2.527 71 S HA 0.005 3.602 4.470 -1.456 0.000 0.222 71 S C 0.474 175.070 174.600 -0.006 0.000 0.985 71 S CA 0.635 58.834 58.200 -0.002 0.000 0.921 71 S CB -0.767 62.431 63.200 -0.003 0.000 0.772 71 S HN 0.990 nan 8.310 nan 0.000 0.529 72 N N 0.176 118.861 118.700 -0.024 0.000 2.384 72 N HA 0.600 4.466 4.740 -1.456 0.000 0.301 72 N C -1.282 174.197 175.510 -0.052 0.000 1.133 72 N CA -0.621 52.398 53.050 -0.053 0.000 0.853 72 N CB 1.749 40.168 38.487 -0.114 0.000 1.241 72 N HN -0.076 nan 8.380 nan 0.000 0.502 73 T N -0.073 114.455 114.554 -0.042 0.000 2.916 73 T HA 0.274 3.750 4.350 -1.456 0.000 0.298 73 T C -1.282 173.442 174.700 0.039 0.000 1.031 73 T CA -0.405 61.713 62.100 0.030 0.000 0.993 73 T CB 0.545 69.477 68.868 0.107 0.000 1.045 73 T HN 0.477 nan 8.240 nan 0.000 0.454 74 W N 2.084 123.456 121.300 0.120 0.000 2.358 74 W HA 0.484 4.265 4.660 -1.465 0.000 0.307 74 W C -0.046 176.581 176.519 0.180 0.000 1.203 74 W CA -0.613 56.806 57.345 0.125 0.000 1.279 74 W CB 0.583 30.101 29.460 0.097 0.000 1.264 74 W HN 0.546 nan 8.180 nan 0.000 0.474 75 c N 3.764 122.698 118.600 0.557 0.000 2.529 75 c HA 0.479 4.175 4.570 -1.456 0.000 0.329 75 c C -0.679 173.788 174.090 0.630 0.000 1.194 75 c CA -0.916 55.724 56.329 0.518 0.000 1.779 75 c CB 0.896 43.719 42.510 0.521 0.000 2.322 75 c HN 0.480 nan 8.230 nan 0.000 0.500 76 Y N 2.243 122.794 120.300 0.419 0.000 2.429 76 Y HA 0.507 4.189 4.550 -1.447 0.000 0.342 76 Y C -2.369 173.684 175.900 0.254 0.000 1.004 76 Y CA -2.349 55.955 58.100 0.340 0.000 1.075 76 Y CB 1.447 40.001 38.460 0.157 0.000 1.214 76 Y HN 0.501 nan 8.280 nan 0.000 0.455 77 P HA 0.013 nan 4.420 nan 0.000 0.267 77 P C 0.425 177.529 177.300 -0.327 0.000 1.200 77 P CA 0.417 63.105 63.100 -0.686 0.000 0.772 77 P CB 0.612 31.900 31.700 -0.688 0.000 0.855 78 T N -2.045 112.348 114.554 -0.268 0.000 3.088 78 T HA -0.042 3.434 4.350 -1.456 0.000 0.259 78 T C 0.648 175.272 174.700 -0.128 0.000 1.122 78 T CA 0.493 62.521 62.100 -0.120 0.000 1.095 78 T CB -0.505 68.308 68.868 -0.091 0.000 0.930 78 T HN 0.496 nan 8.240 nan 0.000 0.508 79 N N 2.250 120.832 118.700 -0.196 0.000 2.790 79 N HA 0.256 4.122 4.740 -1.456 0.000 0.256 79 N C -2.903 172.495 175.510 -0.187 0.000 1.409 79 N CA -1.374 51.579 53.050 -0.161 0.000 0.799 79 N CB 1.406 39.806 38.487 -0.144 0.000 1.170 79 N HN 0.192 nan 8.380 nan 0.000 0.507 80 P HA 0.112 nan 4.420 nan 0.000 0.274 80 P C -0.336 176.928 177.300 -0.060 0.000 1.256 80 P CA -0.300 62.699 63.100 -0.169 0.000 0.795 80 P CB 1.351 32.968 31.700 -0.139 0.000 1.038 81 V N 1.288 121.196 119.914 -0.009 0.000 2.385 81 V HA 0.211 3.457 4.120 -1.456 0.000 0.269 81 V C 1.250 177.411 176.094 0.110 0.000 1.043 81 V CA -0.253 62.065 62.300 0.030 0.000 0.906 81 V CB 0.194 32.020 31.823 0.005 0.000 0.995 81 V HN 0.805 nan 8.190 nan 0.000 0.467 82 T N 1.190 115.818 114.554 0.123 0.000 2.788 82 T HA 0.538 4.014 4.350 -1.456 0.000 0.280 82 T C 1.080 175.891 174.700 0.184 0.000 0.984 82 T CA 0.182 62.422 62.100 0.232 0.000 0.972 82 T CB 1.219 70.162 68.868 0.124 0.000 1.039 82 T HN 1.815 nan 8.240 nan 0.000 0.530 83 G N 0.633 109.589 108.800 0.260 0.000 2.323 83 G HA2 -0.219 2.867 3.960 -1.456 0.000 0.292 83 G HA3 -0.219 2.867 3.960 -1.456 0.000 0.292 83 G C -0.111 174.946 174.900 0.261 0.000 1.040 83 G CA 0.317 45.572 45.100 0.258 0.000 0.942 83 G HN 0.969 nan 8.290 nan 0.000 0.506 84 E N -1.076 119.053 120.200 -0.118 0.000 2.436 84 E HA 0.216 3.692 4.350 -1.456 0.000 0.262 84 E C 1.047 177.588 176.600 -0.098 0.000 1.063 84 E CA -0.159 56.125 56.400 -0.193 0.000 0.944 84 E CB 0.643 29.889 29.700 -0.756 0.000 0.950 84 E HN 0.447 nan 8.360 nan 0.000 0.444 85 I N 4.831 125.263 120.570 -0.231 0.000 2.436 85 I HA 0.082 3.378 4.170 -1.456 0.000 0.289 85 I C -1.941 174.047 176.117 -0.214 0.000 1.083 85 I CA -1.794 59.287 61.300 -0.366 0.000 1.372 85 I CB 0.148 37.789 38.000 -0.598 0.000 1.408 85 I HN 0.212 nan 8.210 nan 0.000 0.516 86 P HA 0.101 nan 4.420 nan 0.000 0.270 86 P C -0.661 176.579 177.300 -0.100 0.000 1.223 86 P CA -0.234 62.813 63.100 -0.088 0.000 0.785 86 P CB 0.415 32.079 31.700 -0.060 0.000 0.923 87 T N 2.493 117.006 114.554 -0.068 0.000 2.743 87 T HA 0.428 3.904 4.350 -1.456 0.000 0.292 87 T C 0.266 174.937 174.700 -0.049 0.000 0.972 87 T CA -0.492 61.570 62.100 -0.063 0.000 0.967 87 T CB 0.028 68.867 68.868 -0.049 0.000 0.926 87 T HN 0.141 nan 8.240 nan 0.000 0.459 88 L N 2.404 123.596 121.223 -0.051 0.000 2.421 88 L HA 0.473 3.939 4.340 -1.456 0.000 0.263 88 L C 1.193 178.045 176.870 -0.030 0.000 1.122 88 L CA -1.021 53.795 54.840 -0.040 0.000 0.804 88 L CB 0.615 42.648 42.059 -0.043 0.000 1.150 88 L HN 0.674 nan 8.230 nan 0.000 0.457 89 S N 0.635 116.319 115.700 -0.026 0.000 2.585 89 S HA 0.458 4.054 4.470 -1.456 0.000 0.273 89 S C 0.161 174.753 174.600 -0.014 0.000 1.339 89 S CA -0.817 57.370 58.200 -0.021 0.000 1.028 89 S CB 1.127 64.313 63.200 -0.022 0.000 0.906 89 S HN 0.714 nan 8.310 nan 0.000 0.528 90 A N 1.431 124.246 122.820 -0.009 0.000 2.507 90 A HA 0.397 3.843 4.320 -1.456 0.000 0.235 90 A C -0.040 177.548 177.584 0.007 0.000 1.070 90 A CA -0.477 51.562 52.037 0.003 0.000 0.768 90 A CB -0.271 18.733 19.000 0.006 0.000 1.011 90 A HN 1.044 nan 8.150 nan 0.000 0.502 91 L N 2.081 123.317 121.223 0.022 0.000 2.255 91 L HA 0.417 3.883 4.340 -1.456 0.000 0.289 91 L C -1.123 175.761 176.870 0.023 0.000 1.046 91 L CA -0.228 54.625 54.840 0.021 0.000 0.816 91 L CB 0.771 42.852 42.059 0.037 0.000 1.197 91 L HN 0.542 nan 8.230 nan 0.000 0.427 92 D N 6.365 126.769 120.400 0.008 0.000 2.274 92 D HA 0.384 4.150 4.640 -1.456 0.000 0.239 92 D C -0.265 176.034 176.300 -0.002 0.000 1.104 92 D CA 0.273 54.277 54.000 0.006 0.000 0.840 92 D CB 1.543 42.341 40.800 -0.004 0.000 1.100 92 D HN 0.435 nan 8.370 nan 0.000 0.477 93 I N 4.493 125.064 120.570 0.002 0.000 2.354 93 I HA 0.218 3.514 4.170 -1.456 0.000 0.292 93 I C -1.954 174.146 176.117 -0.027 0.000 0.989 93 I CA -1.993 59.296 61.300 -0.018 0.000 1.188 93 I CB 1.731 39.720 38.000 -0.019 0.000 1.342 93 I HN 0.052 nan 8.210 nan 0.000 0.457 94 P HA -0.019 nan 4.420 nan 0.000 0.269 94 P C -0.594 176.657 177.300 -0.082 0.000 1.217 94 P CA -0.205 62.868 63.100 -0.046 0.000 0.783 94 P CB 0.570 32.243 31.700 -0.046 0.000 0.898 95 D N -0.470 119.896 120.400 -0.057 0.000 2.419 95 D HA 0.345 4.111 4.640 -1.456 0.000 0.236 95 D C 0.524 176.585 176.300 -0.398 0.000 1.165 95 D CA 1.231 55.184 54.000 -0.078 0.000 0.882 95 D CB 0.227 41.098 40.800 0.119 0.000 1.201 95 D HN 0.606 nan 8.370 nan 0.000 0.443 96 G N 1.704 110.206 108.800 -0.497 0.000 2.349 96 G HA2 0.202 3.288 3.960 -1.456 0.000 0.294 96 G HA3 0.202 3.288 3.960 -1.456 0.000 0.294 96 G C -1.334 173.369 174.900 -0.329 0.000 1.380 96 G CA -0.787 43.776 45.100 -0.895 0.000 0.811 96 G HN 0.435 nan 8.290 nan 0.000 0.519 97 D N 0.009 120.297 120.400 -0.186 0.000 2.382 97 D HA 0.107 3.873 4.640 -1.456 0.000 0.240 97 D C 1.377 177.635 176.300 -0.069 0.000 1.146 97 D CA 0.018 54.009 54.000 -0.015 0.000 0.897 97 D CB 1.839 42.661 40.800 0.037 0.000 1.197 97 D HN 0.618 nan 8.370 nan 0.000 0.432 98 E N 0.622 120.786 120.200 -0.060 0.000 2.065 98 E HA -0.197 3.280 4.350 -1.456 0.000 0.201 98 E C 1.763 178.337 176.600 -0.043 0.000 1.016 98 E CA 1.191 57.531 56.400 -0.102 0.000 0.818 98 E CB 0.140 29.798 29.700 -0.070 0.000 0.749 98 E HN 0.235 nan 8.360 nan 0.000 0.453 99 V N 1.549 121.477 119.914 0.023 0.000 2.407 99 V HA -0.239 3.007 4.120 -1.456 0.000 0.248 99 V C 1.823 178.009 176.094 0.153 0.000 1.055 99 V CA 2.047 64.434 62.300 0.145 0.000 1.049 99 V CB -0.456 31.439 31.823 0.120 0.000 0.662 99 V HN 0.303 nan 8.190 nan 0.000 0.455 100 D N -0.184 120.240 120.400 0.040 0.000 2.097 100 D HA -0.112 3.655 4.640 -1.456 0.000 0.197 100 D C 2.212 178.519 176.300 0.012 0.000 0.984 100 D CA 1.197 55.214 54.000 0.028 0.000 0.826 100 D CB -0.284 40.482 40.800 -0.057 0.000 0.973 100 D HN 0.297 nan 8.370 nan 0.000 0.460 101 V N 1.205 121.082 119.914 -0.061 0.000 2.287 101 V HA -0.276 2.970 4.120 -1.456 0.000 0.248 101 V C 2.504 178.538 176.094 -0.100 0.000 1.053 101 V CA 1.720 63.968 62.300 -0.088 0.000 1.027 101 V CB -0.520 31.230 31.823 -0.122 0.000 0.646 101 V HN 0.226 nan 8.190 nan 0.000 0.447 102 Q N -1.345 118.383 119.800 -0.120 0.000 2.124 102 Q HA -0.248 3.218 4.340 -1.456 0.000 0.202 102 Q C 2.158 177.940 176.000 -0.363 0.000 0.977 102 Q CA 1.991 57.641 55.803 -0.254 0.000 0.850 102 Q CB -0.277 28.341 28.738 -0.200 0.000 0.901 102 Q HN 0.848 nan 8.270 nan 0.000 0.429 103 W N 1.950 122.995 121.300 -0.426 0.000 2.355 103 W HA -0.220 3.567 4.660 -1.456 0.000 0.309 103 W C 2.088 178.381 176.519 -0.378 0.000 1.206 103 W CA 1.519 58.525 57.345 -0.565 0.000 1.284 103 W CB -0.095 29.141 29.460 -0.373 0.000 1.145 103 W HN 0.069 nan 8.180 nan 0.000 0.502 104 R N 0.867 121.247 120.500 -0.200 0.000 2.159 104 R HA -0.225 3.241 4.340 -1.456 0.000 0.237 104 R C 2.297 178.407 176.300 -0.317 0.000 1.131 104 R CA 1.953 57.916 56.100 -0.228 0.000 0.982 104 R CB -0.855 29.389 30.300 -0.093 0.000 0.868 104 R HN 0.329 nan 8.270 nan 0.000 0.453 105 L N -0.420 120.582 121.223 -0.368 0.000 2.121 105 L HA 0.027 3.493 4.340 -1.456 0.000 0.200 105 L C 2.096 178.546 176.870 -0.700 0.000 1.077 105 L CA 1.413 56.010 54.840 -0.404 0.000 0.766 105 L CB -0.242 41.616 42.059 -0.335 0.000 0.931 105 L HN 0.131 nan 8.230 nan 0.000 0.452 106 V N -3.181 116.155 119.914 -0.963 0.000 2.809 106 V HA -0.187 3.059 4.120 -1.456 0.000 0.256 106 V C 2.309 177.945 176.094 -0.762 0.000 1.080 106 V CA 1.866 63.458 62.300 -1.180 0.000 1.102 106 V CB -1.292 29.872 31.823 -1.097 0.000 0.705 106 V HN 0.673 nan 8.190 nan 0.000 0.475 107 H N -0.082 118.358 119.070 -1.051 0.000 2.548 107 H HA 0.122 3.804 4.556 -1.456 0.000 0.265 107 H C 0.373 175.374 175.328 -0.546 0.000 0.969 107 H CA 0.277 55.715 56.048 -1.017 0.000 1.155 107 H CB 0.333 28.990 29.762 -1.842 0.000 1.394 107 H HN 0.472 nan 8.280 nan 0.000 0.570 108 D N 0.854 121.004 120.400 -0.416 0.000 2.349 108 D HA -0.068 3.699 4.640 -1.456 0.000 0.266 108 D C 1.122 177.321 176.300 -0.170 0.000 1.293 108 D CA 0.208 54.054 54.000 -0.256 0.000 0.926 108 D CB 1.228 41.939 40.800 -0.149 0.000 1.090 108 D HN 0.184 nan 8.370 nan 0.000 0.502 109 S N 3.277 118.848 115.700 -0.216 0.000 2.348 109 S HA -0.165 3.431 4.470 -1.456 0.000 0.221 109 S C 1.913 176.471 174.600 -0.069 0.000 1.033 109 S CA 1.395 59.508 58.200 -0.145 0.000 1.010 109 S CB -0.041 63.058 63.200 -0.168 0.000 0.891 109 S HN 0.600 nan 8.310 nan 0.000 0.442 110 A N 1.865 124.644 122.820 -0.067 0.000 1.898 110 A HA -0.040 3.406 4.320 -1.456 0.000 0.216 110 A C 1.912 179.480 177.584 -0.026 0.000 1.181 110 A CA 1.629 53.639 52.037 -0.044 0.000 0.620 110 A CB -0.569 18.402 19.000 -0.048 0.000 0.819 110 A HN 0.650 nan 8.150 nan 0.000 0.442 111 N N -2.815 115.879 118.700 -0.011 0.000 2.325 111 N HA 0.146 4.012 4.740 -1.456 0.000 0.182 111 N C 0.759 176.322 175.510 0.087 0.000 1.088 111 N CA 0.743 53.806 53.050 0.022 0.000 0.879 111 N CB 0.297 38.798 38.487 0.023 0.000 0.983 111 N HN 0.573 nan 8.380 nan 0.000 0.471 112 F N 0.105 120.003 119.950 -0.087 0.000 2.212 112 F HA 0.351 4.004 4.527 -1.457 0.000 0.262 112 F C 1.746 177.501 175.800 -0.074 0.000 0.906 112 F CA -0.198 57.754 58.000 -0.080 0.000 1.127 112 F CB -0.139 38.781 39.000 -0.134 0.000 1.178 112 F HN -0.264 nan 8.300 nan 0.000 0.779 113 I N 1.403 122.052 120.570 0.133 0.000 2.142 113 I HA -0.284 3.012 4.170 -1.456 0.000 0.240 113 I C 2.119 178.204 176.117 -0.054 0.000 1.078 113 I CA 1.408 62.729 61.300 0.035 0.000 1.343 113 I CB -0.540 37.458 38.000 -0.003 0.000 1.046 113 I HN 0.118 nan 8.210 nan 0.000 0.405 114 K N 0.439 120.825 120.400 -0.023 0.000 2.002 114 K HA -0.134 3.312 4.320 -1.456 0.000 0.209 114 K C -0.166 176.480 176.600 0.077 0.000 1.048 114 K CA 1.524 57.840 56.287 0.049 0.000 0.930 114 K CB -1.593 30.965 32.500 0.097 0.000 0.714 114 K HN 0.254 nan 8.250 nan 0.000 0.438 115 P HA -0.175 nan 4.420 nan 0.000 0.215 115 P C 1.632 178.871 177.300 -0.100 0.000 1.157 115 P CA 2.077 65.149 63.100 -0.046 0.000 0.874 115 P CB -0.317 31.316 31.700 -0.112 0.000 0.790 116 T N -4.055 110.349 114.554 -0.251 0.000 2.904 116 T HA -0.053 3.423 4.350 -1.456 0.000 0.267 116 T C 1.919 176.530 174.700 -0.149 0.000 1.059 116 T CA 1.541 63.492 62.100 -0.250 0.000 1.137 116 T CB -1.234 67.361 68.868 -0.455 0.000 0.879 116 T HN -0.043 nan 8.240 nan 0.000 0.467 117 S N 0.719 116.330 115.700 -0.147 0.000 2.368 117 S HA -0.001 3.595 4.470 -1.456 0.000 0.224 117 S C 1.679 176.126 174.600 -0.254 0.000 1.029 117 S CA 0.960 59.049 58.200 -0.185 0.000 0.988 117 S CB -0.634 62.434 63.200 -0.221 0.000 0.838 117 S HN 0.589 nan 8.310 nan 0.000 0.462 118 Y N 1.382 121.543 120.300 -0.231 0.000 2.242 118 Y HA -0.030 3.646 4.550 -1.456 0.000 0.291 118 Y C 2.219 177.837 175.900 -0.470 0.000 1.137 118 Y CA 0.654 58.474 58.100 -0.467 0.000 1.181 118 Y CB -0.490 37.687 38.460 -0.471 0.000 0.989 118 Y HN 0.191 nan 8.280 nan 0.000 0.527 119 L N 0.201 121.412 121.223 -0.019 0.000 2.012 119 L HA -0.172 3.294 4.340 -1.456 0.000 0.210 119 L C 2.363 179.265 176.870 0.054 0.000 1.073 119 L CA 2.169 57.063 54.840 0.090 0.000 0.748 119 L CB -1.173 40.909 42.059 0.039 0.000 0.891 119 L HN 0.108 nan 8.230 nan 0.000 0.431 120 A N -1.125 121.686 122.820 -0.015 0.000 1.883 120 A HA -0.329 3.117 4.320 -1.456 0.000 0.217 120 A C 2.323 179.979 177.584 0.119 0.000 1.186 120 A CA 1.986 54.021 52.037 -0.003 0.000 0.624 120 A CB -1.227 17.681 19.000 -0.152 0.000 0.822 120 A HN 0.788 nan 8.150 nan 0.000 0.444 121 H N -1.911 117.099 119.070 -0.100 0.000 2.321 121 H HA -0.179 3.503 4.556 -1.457 0.000 0.300 121 H C 1.751 177.118 175.328 0.064 0.000 1.087 121 H CA 2.213 58.199 56.048 -0.103 0.000 1.319 121 H CB -0.375 29.202 29.762 -0.309 0.000 1.379 121 H HN 0.483 nan 8.280 nan 0.000 0.501 122 Y N 0.231 120.579 120.300 0.081 0.000 2.315 122 Y HA -0.104 3.572 4.550 -1.456 0.000 0.288 122 Y C 2.313 178.265 175.900 0.086 0.000 1.154 122 Y CA 0.838 58.973 58.100 0.058 0.000 1.229 122 Y CB -0.465 38.083 38.460 0.146 0.000 0.980 122 Y HN 0.279 nan 8.280 nan 0.000 0.540 123 L N -1.676 119.625 121.223 0.131 0.000 2.554 123 L HA 0.150 3.616 4.340 -1.456 0.000 0.226 123 L C 1.735 178.579 176.870 -0.044 0.000 1.137 123 L CA 0.910 55.692 54.840 -0.097 0.000 0.863 123 L CB -0.309 41.440 42.059 -0.517 0.000 0.985 123 L HN 0.409 nan 8.230 nan 0.000 0.451 124 G N -1.688 107.113 108.800 0.002 0.000 2.184 124 G HA2 -0.266 2.821 3.960 -1.456 0.000 0.206 124 G HA3 -0.266 2.821 3.960 -1.456 0.000 0.206 124 G C -0.051 174.727 174.900 -0.203 0.000 0.995 124 G CA -0.667 44.363 45.100 -0.116 0.000 0.651 124 G HN 0.159 nan 8.290 nan 0.000 0.511 125 Y N 1.520 121.744 120.300 -0.127 0.000 2.425 125 Y HA 0.487 4.163 4.550 -1.457 0.000 0.331 125 Y C 1.085 176.813 175.900 -0.286 0.000 1.157 125 Y CA 0.642 58.648 58.100 -0.155 0.000 1.372 125 Y CB 0.963 39.384 38.460 -0.066 0.000 1.253 125 Y HN 0.448 nan 8.280 nan 0.000 0.536 126 A N 2.736 125.320 122.820 -0.393 0.000 2.302 126 A HA 0.451 3.897 4.320 -1.456 0.000 0.285 126 A C -0.896 176.433 177.584 -0.424 0.000 1.105 126 A CA -0.696 50.892 52.037 -0.747 0.000 0.816 126 A CB -0.173 17.940 19.000 -1.478 0.000 1.067 126 A HN 1.021 nan 8.150 nan 0.000 0.489 127 W N 0.218 121.465 121.300 -0.088 0.000 6.562 127 W HA -0.110 3.676 4.660 -1.456 0.000 0.418 127 W C -0.233 176.270 176.519 -0.027 0.000 1.645 127 W CA -0.026 57.298 57.345 -0.034 0.000 1.086 127 W CB -1.838 27.611 29.460 -0.018 0.000 2.865 127 W HN 0.411 nan 8.180 nan 0.000 1.517 128 V N 1.678 121.647 119.914 0.091 0.000 2.112 128 V HA 0.754 4.000 4.120 -1.456 0.000 0.271 128 V C 0.992 177.068 176.094 -0.031 0.000 1.465 128 V CA 0.257 62.564 62.300 0.012 0.000 1.419 128 V CB 0.147 31.939 31.823 -0.052 0.000 1.409 128 V HN 0.511 nan 8.190 nan 0.000 0.495 129 G N 0.679 109.507 108.800 0.047 0.000 2.387 129 G HA2 0.550 3.636 3.960 -1.456 0.000 0.294 129 G HA3 0.550 3.636 3.960 -1.456 0.000 0.294 129 G C -0.426 174.527 174.900 0.089 0.000 1.509 129 G CA -0.061 45.061 45.100 0.038 0.000 0.806 129 G HN 0.641 nan 8.290 nan 0.000 0.546 130 G N -0.771 108.083 108.800 0.091 0.000 2.522 130 G HA2 0.430 3.516 3.960 -1.456 0.000 0.304 130 G HA3 0.430 3.516 3.960 -1.456 0.000 0.304 130 G C 0.574 175.536 174.900 0.103 0.000 1.210 130 G CA -0.405 44.764 45.100 0.115 0.000 0.960 130 G HN 0.450 nan 8.290 nan 0.000 0.497 131 N N -0.788 117.959 118.700 0.078 0.000 2.453 131 N HA -0.053 3.813 4.740 -1.456 0.000 0.183 131 N C 1.324 176.779 175.510 -0.092 0.000 1.041 131 N CA 0.643 53.665 53.050 -0.047 0.000 0.900 131 N CB -0.073 38.329 38.487 -0.142 0.000 0.961 131 N HN 0.577 nan 8.380 nan 0.000 0.443 132 H N -1.712 117.375 119.070 0.028 0.000 2.533 132 H HA 0.299 3.981 4.556 -1.457 0.000 0.271 132 H C 0.121 175.481 175.328 0.054 0.000 1.000 132 H CA -0.015 56.055 56.048 0.036 0.000 1.149 132 H CB 0.342 30.127 29.762 0.039 0.000 1.375 132 H HN -0.065 nan 8.280 nan 0.000 0.582 133 S N -0.053 115.736 115.700 0.147 0.000 2.579 133 S HA 0.154 3.750 4.470 -1.456 0.000 0.272 133 S C 0.163 174.813 174.600 0.083 0.000 1.141 133 S CA -0.854 57.436 58.200 0.151 0.000 0.843 133 S CB 1.417 64.729 63.200 0.187 0.000 1.122 133 S HN 0.463 nan 8.310 nan 0.000 0.468 134 Q N 1.199 121.015 119.800 0.027 0.000 2.282 134 Q HA 0.262 3.728 4.340 -1.456 0.000 0.206 134 Q C -0.886 174.940 176.000 -0.289 0.000 0.878 134 Q CA -0.088 55.624 55.803 -0.152 0.000 0.944 134 Q CB -0.020 28.563 28.738 -0.258 0.000 1.100 134 Q HN 0.632 nan 8.270 nan 0.000 0.509 135 Y N 0.631 120.931 120.300 0.001 0.000 2.387 135 Y HA 0.385 4.061 4.550 -1.457 0.000 0.330 135 Y C 0.258 176.078 175.900 -0.133 0.000 1.133 135 Y CA -1.463 56.612 58.100 -0.041 0.000 1.152 135 Y CB 1.507 39.968 38.460 0.001 0.000 1.215 135 Y HN -0.086 nan 8.280 nan 0.000 0.466 136 V N 2.539 122.355 119.914 -0.162 0.000 2.811 136 V HA 0.484 3.730 4.120 -1.456 0.000 0.302 136 V C 0.884 176.744 176.094 -0.391 0.000 1.063 136 V CA 0.622 62.661 62.300 -0.435 0.000 1.088 136 V CB 0.491 31.733 31.823 -0.968 0.000 0.982 136 V HN 1.132 nan 8.190 nan 0.000 0.485 137 G N 3.706 112.339 108.800 -0.278 0.000 2.159 137 G HA2 -0.198 2.888 3.960 -1.456 0.000 0.256 137 G HA3 -0.198 2.888 3.960 -1.456 0.000 0.256 137 G C 0.015 174.877 174.900 -0.063 0.000 0.977 137 G CA 0.497 45.494 45.100 -0.172 0.000 0.652 137 G HN 0.918 nan 8.290 nan 0.000 0.531 138 E N -0.259 119.927 120.200 -0.022 0.000 2.235 138 E HA 0.484 3.960 4.350 -1.456 0.000 0.265 138 E C 0.210 176.834 176.600 0.041 0.000 0.940 138 E CA -0.433 55.978 56.400 0.018 0.000 0.819 138 E CB 1.166 30.904 29.700 0.064 0.000 1.206 138 E HN 0.090 nan 8.360 nan 0.000 0.409 139 D N 1.262 121.686 120.400 0.039 0.000 2.772 139 D HA -0.157 3.609 4.640 -1.456 0.000 0.233 139 D C -0.877 175.462 176.300 0.065 0.000 1.143 139 D CA 0.631 54.665 54.000 0.057 0.000 0.700 139 D CB -0.443 40.436 40.800 0.132 0.000 1.076 139 D HN 0.253 nan 8.370 nan 0.000 0.430 140 M N 0.850 120.476 119.600 0.042 0.000 2.144 140 M HA 0.301 3.907 4.480 -1.456 0.000 0.356 140 M C 0.224 176.573 176.300 0.081 0.000 1.217 140 M CA -0.259 55.075 55.300 0.057 0.000 1.087 140 M CB 1.079 33.700 32.600 0.035 0.000 1.609 140 M HN -0.057 nan 8.290 nan 0.000 0.467 141 D N 2.449 122.914 120.400 0.108 0.000 2.255 141 D HA 0.393 4.159 4.640 -1.456 0.000 0.249 141 D C -0.456 175.953 176.300 0.182 0.000 1.078 141 D CA -0.183 53.903 54.000 0.144 0.000 0.896 141 D CB 1.819 42.701 40.800 0.135 0.000 1.194 141 D HN 0.250 nan 8.370 nan 0.000 0.429 142 V N 2.331 122.394 119.914 0.249 0.000 2.313 142 V HA 0.370 3.616 4.120 -1.456 0.000 0.278 142 V C 0.339 176.719 176.094 0.477 0.000 1.017 142 V CA -0.600 61.889 62.300 0.315 0.000 0.823 142 V CB 0.979 32.930 31.823 0.214 0.000 1.010 142 V HN 0.668 nan 8.190 nan 0.000 0.443 143 T N 1.697 116.527 114.554 0.460 0.000 2.887 143 T HA 0.720 4.196 4.350 -1.456 0.000 0.288 143 T C -0.341 174.573 174.700 0.357 0.000 1.021 143 T CA -0.966 61.374 62.100 0.400 0.000 1.000 143 T CB 2.156 71.150 68.868 0.211 0.000 1.034 143 T HN 0.403 nan 8.240 nan 0.000 0.467 144 R N 0.956 121.490 120.500 0.057 0.000 2.590 144 R HA 0.411 3.878 4.340 -1.456 0.000 0.274 144 R C -0.857 175.313 176.300 -0.216 0.000 1.061 144 R CA -0.044 55.791 56.100 -0.441 0.000 1.081 144 R CB 0.004 29.997 30.300 -0.513 0.000 0.984 144 R HN 0.865 nan 8.270 nan 0.000 0.448 145 D N 3.006 123.242 120.400 -0.272 0.000 2.472 145 D HA 0.362 4.128 4.640 -1.456 0.000 0.248 145 D C 0.270 176.492 176.300 -0.131 0.000 1.271 145 D CA 0.927 54.856 54.000 -0.118 0.000 0.888 145 D CB 0.286 41.079 40.800 -0.012 0.000 1.337 145 D HN 0.691 nan 8.370 nan 0.000 0.526 146 G N 2.948 111.670 108.800 -0.130 0.000 2.556 146 G HA2 -0.292 2.795 3.960 -1.456 0.000 0.283 146 G HA3 -0.292 2.795 3.960 -1.456 0.000 0.283 146 G C 0.420 175.239 174.900 -0.136 0.000 1.177 146 G CA 0.178 45.221 45.100 -0.094 0.000 0.978 146 G HN 0.480 nan 8.290 nan 0.000 0.554 147 D N 2.518 122.881 120.400 -0.062 0.000 2.370 147 D HA 0.390 4.156 4.640 -1.456 0.000 0.230 147 D C 1.038 177.340 176.300 0.003 0.000 1.143 147 D CA 1.040 55.014 54.000 -0.044 0.000 0.834 147 D CB 0.138 40.966 40.800 0.048 0.000 0.944 147 D HN 0.672 nan 8.370 nan 0.000 0.504 148 G N -0.229 108.525 108.800 -0.078 0.000 3.243 148 G HA2 0.552 3.638 3.960 -1.456 0.000 0.248 148 G HA3 0.552 3.638 3.960 -1.456 0.000 0.248 148 G C -1.603 173.102 174.900 -0.325 0.000 1.267 148 G CA -0.657 44.489 45.100 0.075 0.000 0.906 148 G HN 0.085 nan 8.290 nan 0.000 0.592 149 W N -1.839 119.570 121.300 0.182 0.000 3.118 149 W HA 0.609 4.395 4.660 -1.456 0.000 0.328 149 W C -0.984 175.612 176.519 0.129 0.000 1.239 149 W CA -0.653 56.776 57.345 0.142 0.000 1.176 149 W CB 2.107 31.646 29.460 0.132 0.000 1.433 149 W HN 0.301 nan 8.180 nan 0.000 0.562 150 V N 3.026 123.162 119.914 0.370 0.000 2.656 150 V HA 0.533 3.779 4.120 -1.456 0.000 0.307 150 V C -0.599 175.649 176.094 0.255 0.000 1.051 150 V CA -1.009 61.444 62.300 0.254 0.000 0.893 150 V CB 1.745 33.671 31.823 0.171 0.000 0.999 150 V HN 0.392 nan 8.190 nan 0.000 0.426 151 I N 5.115 125.808 120.570 0.205 0.000 2.382 151 I HA 0.659 3.955 4.170 -1.456 0.000 0.286 151 I C -0.149 176.041 176.117 0.122 0.000 1.002 151 I CA -0.285 61.116 61.300 0.168 0.000 1.135 151 I CB 1.337 39.439 38.000 0.170 0.000 1.288 151 I HN 0.587 nan 8.210 nan 0.000 0.448 152 R N 4.191 124.759 120.500 0.114 0.000 2.626 152 R HA 0.578 4.044 4.340 -1.456 0.000 0.274 152 R C -0.418 175.938 176.300 0.093 0.000 1.031 152 R CA -0.713 55.445 56.100 0.097 0.000 0.898 152 R CB 1.984 32.346 30.300 0.103 0.000 1.222 152 R HN 0.709 nan 8.270 nan 0.000 0.455 153 G N 3.068 111.920 108.800 0.088 0.000 2.305 153 G HA2 -0.098 2.989 3.960 -1.456 0.000 0.243 153 G HA3 -0.098 2.989 3.960 -1.456 0.000 0.243 153 G C -0.056 174.904 174.900 0.099 0.000 1.288 153 G CA -0.285 44.870 45.100 0.092 0.000 0.901 153 G HN 0.720 nan 8.290 nan 0.000 0.516 154 N N 1.558 120.327 118.700 0.116 0.000 2.407 154 N HA -0.072 3.794 4.740 -1.456 0.000 0.250 154 N C 0.063 175.640 175.510 0.112 0.000 1.236 154 N CA 0.094 53.223 53.050 0.132 0.000 0.879 154 N CB 0.463 39.059 38.487 0.181 0.000 1.088 154 N HN 0.418 nan 8.380 nan 0.000 0.450 155 N N 1.749 120.502 118.700 0.087 0.000 2.291 155 N HA 0.127 3.993 4.740 -1.456 0.000 0.244 155 N C -1.304 174.221 175.510 0.024 0.000 1.216 155 N CA -0.298 52.775 53.050 0.038 0.000 0.879 155 N CB 0.182 38.687 38.487 0.030 0.000 1.167 155 N HN 0.538 nan 8.380 nan 0.000 0.515 156 D N 0.270 120.705 120.400 0.058 0.000 2.382 156 D HA 0.414 4.180 4.640 -1.456 0.000 0.245 156 D C 1.319 177.592 176.300 -0.045 0.000 1.120 156 D CA 0.727 54.750 54.000 0.038 0.000 0.890 156 D CB 1.013 41.886 40.800 0.121 0.000 1.201 156 D HN 0.347 nan 8.370 nan 0.000 0.433 157 G N 0.870 109.645 108.800 -0.042 0.000 2.693 157 G HA2 0.098 3.184 3.960 -1.456 0.000 0.226 157 G HA3 0.098 3.184 3.960 -1.456 0.000 0.226 157 G C 0.323 175.177 174.900 -0.076 0.000 1.354 157 G CA -0.413 44.645 45.100 -0.068 0.000 0.873 157 G HN 0.747 nan 8.290 nan 0.000 0.562 158 G N -1.625 107.124 108.800 -0.085 0.000 2.531 158 G HA2 0.821 3.907 3.960 -1.456 0.000 0.313 158 G HA3 0.821 3.907 3.960 -1.456 0.000 0.313 158 G C 0.244 175.072 174.900 -0.119 0.000 1.238 158 G CA 0.581 45.627 45.100 -0.091 0.000 0.994 158 G HN 2.321 nan 8.290 nan 0.000 0.493 159 c N -1.426 117.089 118.600 -0.140 0.000 3.173 159 c HA 0.736 4.432 4.570 -1.456 0.000 0.310 159 c C -1.234 172.748 174.090 -0.179 0.000 1.306 159 c CA -1.325 54.894 56.329 -0.183 0.000 1.426 159 c CB 1.681 44.027 42.510 -0.274 0.000 1.800 159 c HN 0.627 nan 8.230 nan 0.000 0.470 160 D N 0.465 120.762 120.400 -0.171 0.000 2.185 160 D HA 0.683 4.450 4.640 -1.456 0.000 0.247 160 D C 0.227 176.429 176.300 -0.163 0.000 1.027 160 D CA 0.868 54.802 54.000 -0.109 0.000 0.861 160 D CB 1.865 42.648 40.800 -0.029 0.000 1.202 160 D HN 1.573 nan 8.370 nan 0.000 0.453 161 G N 0.869 109.640 108.800 -0.048 0.000 2.402 161 G HA2 -0.095 2.991 3.960 -1.456 0.000 0.666 161 G HA3 -0.095 2.991 3.960 -1.456 0.000 0.666 161 G C -1.386 173.598 174.900 0.140 0.000 1.402 161 G CA -1.149 44.032 45.100 0.133 0.000 0.920 161 G HN 0.349 nan 8.290 nan 0.000 0.651 162 Y N 2.632 123.098 120.300 0.276 0.000 2.569 162 Y HA 0.431 4.107 4.550 -1.457 0.000 0.332 162 Y C 1.759 177.863 175.900 0.340 0.000 1.120 162 Y CA 1.114 59.347 58.100 0.221 0.000 1.416 162 Y CB 0.207 38.785 38.460 0.198 0.000 1.210 162 Y HN 0.862 nan 8.280 nan 0.000 0.528 163 R N 2.079 122.338 120.500 -0.403 0.000 3.770 163 R HA -0.267 3.199 4.340 -1.456 0.000 0.305 163 R C 1.297 177.532 176.300 -0.109 0.000 1.184 163 R CA 0.792 56.733 56.100 -0.266 0.000 0.823 163 R CB -2.528 27.545 30.300 -0.378 0.000 1.285 163 R HN 0.899 nan 8.270 nan 0.000 0.499 164 c N -3.350 114.915 118.600 -0.558 0.000 2.422 164 c HA 0.039 3.735 4.570 -1.456 0.000 0.286 164 c C 2.397 176.124 174.090 -0.607 0.000 1.412 164 c CA 0.476 56.004 56.329 -1.334 0.000 1.786 164 c CB -1.027 40.724 42.510 -1.266 0.000 1.835 164 c HN 0.627 nan 8.230 nan 0.000 0.533 165 G N -0.004 108.624 108.800 -0.286 0.000 2.572 165 G HA2 0.020 3.106 3.960 -1.456 0.000 0.216 165 G HA3 0.020 3.106 3.960 -1.456 0.000 0.216 165 G C 0.332 175.230 174.900 -0.003 0.000 1.133 165 G CA 0.386 45.410 45.100 -0.127 0.000 0.791 165 G HN 0.587 nan 8.290 nan 0.000 0.538 166 D N 1.853 122.313 120.400 0.099 0.000 2.517 166 D HA 0.176 3.942 4.640 -1.456 0.000 0.220 166 D C 0.163 176.652 176.300 0.316 0.000 1.158 166 D CA 0.163 54.315 54.000 0.254 0.000 0.992 166 D CB 0.629 41.670 40.800 0.402 0.000 1.058 166 D HN 0.126 nan 8.370 nan 0.000 0.516 167 K N 0.914 121.436 120.400 0.204 0.000 2.298 167 K HA 0.181 3.627 4.320 -1.456 0.000 0.280 167 K C 0.553 177.258 176.600 0.175 0.000 1.032 167 K CA -0.325 56.087 56.287 0.207 0.000 0.958 167 K CB 0.890 33.476 32.500 0.144 0.000 0.978 167 K HN 0.074 nan 8.250 nan 0.000 0.472 168 T N 1.713 116.358 114.554 0.152 0.000 2.916 168 T HA 0.213 3.689 4.350 -1.456 0.000 0.303 168 T C 0.070 174.810 174.700 0.067 0.000 1.025 168 T CA -0.115 62.047 62.100 0.103 0.000 1.142 168 T CB 0.559 69.465 68.868 0.064 0.000 0.947 168 T HN 0.595 nan 8.240 nan 0.000 0.544 169 A N 3.809 126.663 122.820 0.056 0.000 2.330 169 A HA 0.733 4.179 4.320 -1.456 0.000 0.327 169 A C -0.313 177.283 177.584 0.020 0.000 1.155 169 A CA -0.762 51.310 52.037 0.058 0.000 0.803 169 A CB 0.528 19.578 19.000 0.084 0.000 1.208 169 A HN 0.857 nan 8.150 nan 0.000 0.477 170 I N 2.682 123.281 120.570 0.049 0.000 2.359 170 I HA 0.235 3.531 4.170 -1.456 0.000 0.284 170 I C -0.323 175.876 176.117 0.137 0.000 1.018 170 I CA -0.264 61.072 61.300 0.060 0.000 1.173 170 I CB 1.424 39.456 38.000 0.054 0.000 1.326 170 I HN 0.603 nan 8.210 nan 0.000 0.462 171 K N 5.865 126.344 120.400 0.132 0.000 2.159 171 K HA 0.667 4.113 4.320 -1.456 0.000 0.266 171 K C -0.967 175.753 176.600 0.201 0.000 0.975 171 K CA -0.794 55.593 56.287 0.166 0.000 0.865 171 K CB 2.422 34.994 32.500 0.121 0.000 1.087 171 K HN 0.233 nan 8.250 nan 0.000 0.446 172 V N 2.311 122.377 119.914 0.253 0.000 2.350 172 V HA 0.351 3.597 4.120 -1.456 0.000 0.285 172 V C -0.307 175.922 176.094 0.225 0.000 1.014 172 V CA -0.551 61.889 62.300 0.234 0.000 0.831 172 V CB 0.744 32.712 31.823 0.243 0.000 1.000 172 V HN 1.019 nan 8.190 nan 0.000 0.433 173 S N 2.727 118.482 115.700 0.091 0.000 2.794 173 S HA 0.653 4.249 4.470 -1.456 0.000 0.299 173 S C -0.021 174.585 174.600 0.012 0.000 1.179 173 S CA -0.592 57.680 58.200 0.120 0.000 0.838 173 S CB 1.389 64.649 63.200 0.101 0.000 1.206 173 S HN 0.899 nan 8.310 nan 0.000 0.523 174 N N -0.435 118.319 118.700 0.090 0.000 2.725 174 N HA -0.160 3.706 4.740 -1.456 0.000 0.251 174 N C -1.243 174.266 175.510 -0.002 0.000 1.031 174 N CA 0.309 53.388 53.050 0.047 0.000 0.720 174 N CB -1.891 36.594 38.487 -0.003 0.000 0.930 174 N HN 0.556 nan 8.380 nan 0.000 0.543 175 F N 0.284 120.243 119.950 0.016 0.000 2.529 175 F HA 0.381 4.034 4.527 -1.457 0.000 0.365 175 F C 1.337 176.906 175.800 -0.384 0.000 1.102 175 F CA 0.844 58.759 58.000 -0.140 0.000 1.271 175 F CB 0.706 39.648 39.000 -0.095 0.000 1.120 175 F HN 0.273 nan 8.300 nan 0.000 0.579 176 A N 3.967 126.561 122.820 -0.376 0.000 2.475 176 A HA 0.776 4.222 4.320 -1.456 0.000 0.301 176 A C -2.016 175.267 177.584 -0.502 0.000 1.059 176 A CA -0.606 51.209 52.037 -0.371 0.000 0.710 176 A CB 0.872 19.806 19.000 -0.110 0.000 1.288 176 A HN 0.625 nan 8.150 nan 0.000 0.408 177 Y N 1.246 121.637 120.300 0.151 0.000 2.363 177 Y HA 0.402 4.078 4.550 -1.457 0.000 0.325 177 Y C 0.208 176.154 175.900 0.077 0.000 0.984 177 Y CA -0.709 57.463 58.100 0.120 0.000 1.248 177 Y CB 1.680 40.209 38.460 0.115 0.000 1.116 177 Y HN 0.740 nan 8.280 nan 0.000 0.470 178 N N 4.616 123.407 118.700 0.152 0.000 2.457 178 N HA 0.264 4.130 4.740 -1.456 0.000 0.250 178 N C -1.120 174.420 175.510 0.050 0.000 0.982 178 N CA -0.463 52.644 53.050 0.095 0.000 0.941 178 N CB 0.941 39.464 38.487 0.061 0.000 1.120 178 N HN 0.747 nan 8.380 nan 0.000 0.505 179 L N 3.333 124.561 121.223 0.008 0.000 2.410 179 L HA 0.110 3.576 4.340 -1.456 0.000 0.273 179 L C -0.145 176.662 176.870 -0.106 0.000 1.152 179 L CA -0.083 54.692 54.840 -0.108 0.000 0.855 179 L CB 0.478 42.347 42.059 -0.316 0.000 1.129 179 L HN 0.527 nan 8.230 nan 0.000 0.463 180 D N 6.832 127.179 120.400 -0.089 0.000 2.428 180 D HA 0.287 4.053 4.640 -1.456 0.000 0.221 180 D C -1.817 174.399 176.300 -0.141 0.000 1.123 180 D CA -2.378 51.564 54.000 -0.098 0.000 0.869 180 D CB 1.527 42.304 40.800 -0.039 0.000 1.032 180 D HN 0.279 nan 8.370 nan 0.000 0.506 181 P HA -0.118 nan 4.420 nan 0.000 0.218 181 P C 0.595 177.786 177.300 -0.181 0.000 1.146 181 P CA 0.908 63.639 63.100 -0.616 0.000 0.813 181 P CB 0.303 31.171 31.700 -1.387 0.000 0.778 182 D N -1.091 119.222 120.400 -0.145 0.000 2.348 182 D HA -0.049 3.717 4.640 -1.456 0.000 0.216 182 D C 1.574 177.849 176.300 -0.041 0.000 0.970 182 D CA 0.996 54.947 54.000 -0.083 0.000 0.889 182 D CB -0.037 40.714 40.800 -0.081 0.000 0.912 182 D HN 0.304 nan 8.370 nan 0.000 0.524 183 S N 0.095 115.788 115.700 -0.011 0.000 2.603 183 S HA -0.055 3.541 4.470 -1.456 0.000 0.220 183 S C 0.678 175.207 174.600 -0.119 0.000 0.967 183 S CA -0.614 57.566 58.200 -0.033 0.000 0.920 183 S CB -0.600 62.605 63.200 0.008 0.000 0.773 183 S HN 0.131 nan 8.310 nan 0.000 0.529 184 F N 3.904 123.644 119.950 -0.351 0.000 2.604 184 F HA 0.196 3.849 4.527 -1.457 0.000 0.393 184 F C 0.280 175.826 175.800 -0.423 0.000 1.043 184 F CA 0.287 57.861 58.000 -0.709 0.000 1.227 184 F CB 0.269 38.820 39.000 -0.749 0.000 1.016 184 F HN 0.035 nan 8.300 nan 0.000 0.556 185 K N 5.453 125.157 120.400 -1.159 0.000 2.469 185 K HA 0.334 3.780 4.320 -1.456 0.000 0.254 185 K C -1.387 174.559 176.600 -1.089 0.000 0.939 185 K CA -0.968 54.751 56.287 -0.948 0.000 0.812 185 K CB 2.391 34.590 32.500 -0.502 0.000 1.301 185 K HN 0.807 nan 8.250 nan 0.000 0.433 186 H N -1.803 116.777 119.070 -0.816 0.000 2.834 186 H HA 0.680 4.362 4.556 -1.456 0.000 0.369 186 H C 0.051 175.236 175.328 -0.238 0.000 1.174 186 H CA -0.929 54.814 56.048 -0.508 0.000 1.165 186 H CB 1.396 30.726 29.762 -0.720 0.000 1.820 186 H HN 0.654 nan 8.280 nan 0.000 0.558 187 G N -0.574 108.285 108.800 0.099 0.000 2.641 187 G HA2 0.189 3.275 3.960 -1.456 0.000 0.239 187 G HA3 0.189 3.275 3.960 -1.456 0.000 0.239 187 G C -0.747 174.277 174.900 0.207 0.000 1.402 187 G CA -0.851 44.300 45.100 0.086 0.000 1.046 187 G HN 0.719 nan 8.290 nan 0.000 0.565 188 D N 0.253 120.745 120.400 0.154 0.000 2.450 188 D HA 0.153 3.919 4.640 -1.456 0.000 0.247 188 D C 0.422 176.856 176.300 0.224 0.000 1.162 188 D CA 0.121 54.217 54.000 0.159 0.000 0.879 188 D CB 1.443 42.306 40.800 0.105 0.000 1.163 188 D HN -0.032 nan 8.370 nan 0.000 0.472 189 V N 4.184 124.226 119.914 0.213 0.000 2.302 189 V HA -0.048 3.198 4.120 -1.456 0.000 0.244 189 V C 1.674 177.879 176.094 0.184 0.000 1.160 189 V CA 0.137 62.580 62.300 0.238 0.000 1.127 189 V CB -0.516 31.408 31.823 0.169 0.000 1.253 189 V HN 0.597 nan 8.190 nan 0.000 0.496 190 T N 2.424 117.087 114.554 0.183 0.000 2.607 190 T HA -0.189 3.287 4.350 -1.456 0.000 0.267 190 T C 0.793 175.557 174.700 0.105 0.000 1.049 190 T CA 1.353 63.528 62.100 0.125 0.000 1.162 190 T CB -0.078 68.856 68.868 0.110 0.000 0.863 190 T HN 0.660 nan 8.240 nan 0.000 0.424 191 Q N 0.610 120.477 119.800 0.113 0.000 2.271 191 Q HA 0.665 4.132 4.340 -1.456 0.000 0.258 191 Q C -1.035 175.034 176.000 0.116 0.000 0.936 191 Q CA -0.306 55.551 55.803 0.091 0.000 0.909 191 Q CB 1.893 30.667 28.738 0.060 0.000 1.253 191 Q HN 0.200 nan 8.270 nan 0.000 0.440 192 S N 2.020 117.779 115.700 0.099 0.000 2.556 192 S HA 0.482 4.078 4.470 -1.456 0.000 0.280 192 S C -2.380 172.269 174.600 0.081 0.000 1.141 192 S CA -0.697 57.566 58.200 0.105 0.000 0.883 192 S CB 1.220 64.488 63.200 0.113 0.000 1.103 192 S HN 0.798 nan 8.310 nan 0.000 0.453 193 D N 1.327 121.777 120.400 0.083 0.000 2.820 193 D HA 0.168 3.934 4.640 -1.456 0.000 0.244 193 D C -1.027 175.319 176.300 0.078 0.000 1.106 193 D CA -0.601 53.440 54.000 0.069 0.000 0.741 193 D CB 0.536 41.371 40.800 0.059 0.000 2.042 193 D HN 0.524 nan 8.370 nan 0.000 0.459 194 R N 0.810 121.344 120.500 0.056 0.000 2.393 194 R HA 0.500 3.966 4.340 -1.456 0.000 0.315 194 R C -1.079 175.249 176.300 0.047 0.000 0.952 194 R CA -0.593 55.534 56.100 0.044 0.000 0.842 194 R CB 1.461 31.744 30.300 -0.029 0.000 1.163 194 R HN 0.568 nan 8.270 nan 0.000 0.450 195 Q N 4.681 124.532 119.800 0.084 0.000 2.322 195 Q HA 0.257 3.723 4.340 -1.456 0.000 0.265 195 Q C -1.365 174.747 176.000 0.187 0.000 0.985 195 Q CA -0.942 54.925 55.803 0.106 0.000 0.849 195 Q CB 1.492 30.273 28.738 0.072 0.000 1.274 195 Q HN 0.525 nan 8.270 nan 0.000 0.449 196 L N 5.790 127.122 121.223 0.182 0.000 2.407 196 L HA 0.169 3.635 4.340 -1.456 0.000 0.282 196 L C -0.448 176.428 176.870 0.010 0.000 1.110 196 L CA 0.614 55.536 54.840 0.137 0.000 0.863 196 L CB 1.008 43.141 42.059 0.122 0.000 1.207 196 L HN 0.781 nan 8.230 nan 0.000 0.454 197 V N 4.181 124.064 119.914 -0.053 0.000 3.471 197 V HA 0.254 3.500 4.120 -1.456 0.000 0.258 197 V C 0.422 176.458 176.094 -0.097 0.000 1.192 197 V CA 0.539 62.815 62.300 -0.040 0.000 1.116 197 V CB -0.487 31.353 31.823 0.028 0.000 0.792 197 V HN 0.874 nan 8.190 nan 0.000 0.459 198 K N -0.636 119.648 120.400 -0.193 0.000 2.636 198 K HA 0.299 3.745 4.320 -1.456 0.000 0.268 198 K C -1.352 175.087 176.600 -0.269 0.000 0.958 198 K CA -0.150 56.010 56.287 -0.211 0.000 0.875 198 K CB 1.472 33.830 32.500 -0.236 0.000 1.382 198 K HN -0.023 nan 8.250 nan 0.000 0.405 199 T N 2.610 117.041 114.554 -0.205 0.000 2.791 199 T HA 0.355 3.831 4.350 -1.456 0.000 0.288 199 T C -0.972 173.619 174.700 -0.183 0.000 0.999 199 T CA -0.655 61.322 62.100 -0.205 0.000 0.952 199 T CB 1.244 70.019 68.868 -0.156 0.000 0.938 199 T HN 0.301 nan 8.240 nan 0.000 0.444 200 V N 5.307 125.102 119.914 -0.199 0.000 2.356 200 V HA 0.303 3.549 4.120 -1.456 0.000 0.258 200 V C 0.249 176.256 176.094 -0.146 0.000 1.065 200 V CA -0.364 61.838 62.300 -0.163 0.000 0.935 200 V CB 0.065 31.790 31.823 -0.165 0.000 1.061 200 V HN 0.733 nan 8.190 nan 0.000 0.484 201 V N 3.286 123.116 119.914 -0.140 0.000 2.919 201 V HA 1.101 4.347 4.120 -1.456 0.000 0.316 201 V C 0.538 176.529 176.094 -0.171 0.000 1.077 201 V CA 0.028 62.223 62.300 -0.175 0.000 0.977 201 V CB 1.402 33.113 31.823 -0.188 0.000 1.039 201 V HN 0.939 nan 8.190 nan 0.000 0.441 202 G N 0.433 109.071 108.800 -0.269 0.000 2.392 202 G HA2 0.463 3.549 3.960 -1.456 0.000 0.260 202 G HA3 0.463 3.549 3.960 -1.456 0.000 0.260 202 G C -2.651 171.985 174.900 -0.440 0.000 1.226 202 G CA -0.610 44.355 45.100 -0.226 0.000 0.913 202 G HN 0.648 nan 8.290 nan 0.000 0.483 203 W N -0.325 120.965 121.300 -0.016 0.000 3.033 203 W HA 0.737 4.523 4.660 -1.456 0.000 0.336 203 W C -0.089 176.423 176.519 -0.012 0.000 1.173 203 W CA -0.397 56.941 57.345 -0.012 0.000 1.185 203 W CB 2.564 32.017 29.460 -0.011 0.000 1.425 203 W HN 0.891 nan 8.180 nan 0.000 0.536 204 A N 1.920 124.897 122.820 0.263 0.000 2.291 204 A HA 0.779 4.225 4.320 -1.456 0.000 0.311 204 A C -1.298 176.376 177.584 0.151 0.000 1.224 204 A CA -0.637 51.490 52.037 0.150 0.000 0.821 204 A CB 0.532 19.589 19.000 0.096 0.000 1.172 204 A HN 0.432 nan 8.150 nan 0.000 0.494 205 V N 2.755 122.724 119.914 0.092 0.000 2.483 205 V HA 0.382 3.628 4.120 -1.456 0.000 0.295 205 V C -0.118 175.988 176.094 0.020 0.000 1.035 205 V CA -0.830 61.498 62.300 0.047 0.000 0.896 205 V CB 1.659 33.489 31.823 0.012 0.000 0.986 205 V HN 0.878 nan 8.190 nan 0.000 0.447 206 N N 2.862 121.573 118.700 0.018 0.000 2.558 206 N HA 0.278 4.144 4.740 -1.456 0.000 0.242 206 N C 0.270 175.779 175.510 -0.001 0.000 0.979 206 N CA -0.335 52.723 53.050 0.014 0.000 0.931 206 N CB 1.286 39.793 38.487 0.033 0.000 1.122 206 N HN 0.588 nan 8.380 nan 0.000 0.508 207 D N 0.240 120.634 120.400 -0.009 0.000 2.271 207 D HA -0.073 3.693 4.640 -1.456 0.000 0.206 207 D C 0.560 176.856 176.300 -0.006 0.000 0.967 207 D CA 0.483 54.474 54.000 -0.014 0.000 0.867 207 D CB 0.023 40.811 40.800 -0.019 0.000 0.960 207 D HN 0.634 nan 8.370 nan 0.000 0.509 208 S N 0.896 116.597 115.700 0.002 0.000 2.563 208 S HA -0.073 3.523 4.470 -1.456 0.000 0.269 208 S C 0.551 175.157 174.600 0.010 0.000 1.364 208 S CA -0.123 58.082 58.200 0.009 0.000 1.010 208 S CB 1.002 64.215 63.200 0.021 0.000 0.877 208 S HN -0.166 nan 8.310 nan 0.000 0.549 209 D N 0.287 120.694 120.400 0.010 0.000 2.325 209 D HA 0.181 3.947 4.640 -1.456 0.000 0.234 209 D C 0.318 176.627 176.300 0.015 0.000 1.122 209 D CA 0.610 54.616 54.000 0.009 0.000 0.850 209 D CB 0.039 40.843 40.800 0.007 0.000 0.921 209 D HN 0.736 nan 8.370 nan 0.000 0.513 210 T N -1.892 112.676 114.554 0.023 0.000 2.937 210 T HA 0.470 3.946 4.350 -1.456 0.000 0.297 210 T C -3.047 171.676 174.700 0.039 0.000 0.991 210 T CA -2.418 59.699 62.100 0.029 0.000 0.990 210 T CB 2.263 71.150 68.868 0.032 0.000 0.991 210 T HN -0.342 nan 8.240 nan 0.000 0.440 211 P HA 0.056 nan 4.420 nan 0.000 0.261 211 P C -0.553 176.784 177.300 0.061 0.000 1.173 211 P CA 0.264 63.389 63.100 0.043 0.000 0.760 211 P CB 0.247 31.967 31.700 0.032 0.000 0.783 212 Q N 1.462 121.313 119.800 0.085 0.000 2.325 212 Q HA 0.426 3.892 4.340 -1.456 0.000 0.262 212 Q C 0.237 176.313 176.000 0.127 0.000 0.968 212 Q CA -0.222 55.665 55.803 0.140 0.000 0.877 212 Q CB 1.535 30.389 28.738 0.194 0.000 1.253 212 Q HN 0.320 nan 8.270 nan 0.000 0.448 213 S N 1.079 116.826 115.700 0.078 0.000 2.820 213 S HA 0.196 3.792 4.470 -1.456 0.000 0.265 213 S C 0.671 175.231 174.600 -0.066 0.000 1.043 213 S CA 0.204 58.421 58.200 0.029 0.000 1.245 213 S CB 0.593 63.800 63.200 0.011 0.000 1.187 213 S HN 0.771 nan 8.310 nan 0.000 0.673 214 G N 1.004 109.644 108.800 -0.266 0.000 3.609 214 G HA2 0.379 3.465 3.960 -1.456 0.000 0.280 214 G HA3 0.379 3.465 3.960 -1.456 0.000 0.280 214 G C -0.550 174.017 174.900 -0.555 0.000 1.155 214 G CA 0.052 44.896 45.100 -0.426 0.000 0.876 214 G HN 0.401 nan 8.290 nan 0.000 0.535 215 Y N 0.042 120.351 120.300 0.015 0.000 2.425 215 Y HA 0.398 4.074 4.550 -1.456 0.000 0.344 215 Y C -0.400 175.510 175.900 0.017 0.000 0.969 215 Y CA -1.646 56.464 58.100 0.016 0.000 1.052 215 Y CB 1.799 40.270 38.460 0.017 0.000 1.215 215 Y HN -0.060 nan 8.280 nan 0.000 0.451 216 D N 1.919 122.422 120.400 0.171 0.000 2.210 216 D HA 0.394 4.160 4.640 -1.456 0.000 0.249 216 D C -0.830 175.528 176.300 0.097 0.000 1.062 216 D CA -0.190 53.873 54.000 0.105 0.000 0.891 216 D CB 2.485 43.328 40.800 0.072 0.000 1.186 216 D HN 0.198 nan 8.370 nan 0.000 0.432 217 V N 2.470 122.426 119.914 0.070 0.000 2.370 217 V HA 0.324 3.570 4.120 -1.456 0.000 0.279 217 V C 0.306 176.423 176.094 0.039 0.000 1.029 217 V CA -0.208 62.121 62.300 0.048 0.000 0.870 217 V CB 1.635 33.481 31.823 0.038 0.000 0.984 217 V HN 0.504 nan 8.190 nan 0.000 0.451 218 T N 6.070 120.644 114.554 0.035 0.000 2.848 218 T HA 0.559 4.035 4.350 -1.456 0.000 0.285 218 T C -0.726 173.990 174.700 0.026 0.000 0.995 218 T CA -0.365 61.754 62.100 0.033 0.000 0.970 218 T CB 1.617 70.507 68.868 0.037 0.000 0.976 218 T HN 0.459 nan 8.240 nan 0.000 0.441 219 L N 4.184 125.424 121.223 0.027 0.000 2.289 219 L HA 0.706 4.172 4.340 -1.456 0.000 0.285 219 L C -0.368 176.524 176.870 0.037 0.000 1.049 219 L CA -0.077 54.777 54.840 0.024 0.000 0.804 219 L CB 0.451 42.520 42.059 0.017 0.000 1.195 219 L HN 0.466 nan 8.230 nan 0.000 0.428 220 R N 3.523 124.045 120.500 0.037 0.000 2.888 220 R HA 0.950 4.416 4.340 -1.456 0.000 0.264 220 R C -0.468 175.866 176.300 0.058 0.000 1.045 220 R CA -0.564 55.564 56.100 0.047 0.000 0.962 220 R CB 1.621 31.945 30.300 0.039 0.000 1.210 220 R HN 0.940 nan 8.270 nan 0.000 0.479 221 G N 0.314 109.154 108.800 0.067 0.000 2.362 221 G HA2 0.220 3.307 3.960 -1.456 0.000 0.288 221 G HA3 0.220 3.307 3.960 -1.456 0.000 0.288 221 G C -2.131 172.818 174.900 0.082 0.000 1.305 221 G CA -0.535 44.613 45.100 0.081 0.000 0.910 221 G HN 0.706 nan 8.290 nan 0.000 0.518 222 D N -2.056 118.391 120.400 0.079 0.000 2.602 222 D HA 0.774 4.540 4.640 -1.456 0.000 0.236 222 D C -0.151 176.154 176.300 0.009 0.000 1.209 222 D CA -0.093 53.936 54.000 0.050 0.000 0.831 222 D CB 2.140 42.958 40.800 0.030 0.000 1.478 222 D HN 0.674 nan 8.370 nan 0.000 0.438 223 T N -1.188 113.347 114.554 -0.032 0.000 2.618 223 T HA 0.814 4.290 4.350 -1.456 0.000 0.293 223 T C -1.736 172.918 174.700 -0.076 0.000 1.093 223 T CA -0.197 61.819 62.100 -0.139 0.000 1.061 223 T CB 0.943 69.634 68.868 -0.295 0.000 1.498 223 T HN 0.988 nan 8.240 nan 0.000 0.494 224 A N 0.456 123.221 122.820 -0.092 0.000 2.469 224 A HA 0.762 4.208 4.320 -1.456 0.000 0.299 224 A C -0.759 176.825 177.584 0.001 0.000 1.098 224 A CA -0.565 51.453 52.037 -0.032 0.000 0.737 224 A CB 1.757 20.733 19.000 -0.038 0.000 1.312 224 A HN 0.678 nan 8.150 nan 0.000 0.414 225 T N 2.452 117.033 114.554 0.045 0.000 2.779 225 T HA 0.428 3.904 4.350 -1.456 0.000 0.280 225 T C -0.646 174.125 174.700 0.117 0.000 0.987 225 T CA -0.560 61.588 62.100 0.080 0.000 0.966 225 T CB 0.488 69.404 68.868 0.079 0.000 0.933 225 T HN 0.559 nan 8.240 nan 0.000 0.442 226 N N 4.236 122.979 118.700 0.071 0.000 2.444 226 N HA 0.399 4.265 4.740 -1.456 0.000 0.262 226 N C -0.722 174.808 175.510 0.033 0.000 0.974 226 N CA -0.599 52.463 53.050 0.019 0.000 0.933 226 N CB 1.688 40.144 38.487 -0.051 0.000 1.137 226 N HN 0.706 nan 8.380 nan 0.000 0.498 227 W N 0.623 121.776 121.300 -0.245 0.000 3.047 227 W HA 0.683 4.469 4.660 -1.456 0.000 0.341 227 W C -1.006 175.280 176.519 -0.390 0.000 1.225 227 W CA -1.057 56.047 57.345 -0.401 0.000 1.150 227 W CB 0.521 29.711 29.460 -0.449 0.000 1.470 227 W HN 0.423 nan 8.180 nan 0.000 0.578 228 S N 0.669 116.072 115.700 -0.496 0.000 2.588 228 S HA 0.739 4.335 4.470 -1.456 0.000 0.269 228 S C -1.230 173.178 174.600 -0.319 0.000 1.157 228 S CA -1.059 56.789 58.200 -0.587 0.000 0.824 228 S CB 2.695 65.637 63.200 -0.429 0.000 1.126 228 S HN 0.847 nan 8.310 nan 0.000 0.464 229 K N -0.483 119.790 120.400 -0.212 0.000 2.556 229 K HA 0.734 4.181 4.320 -1.456 0.000 0.274 229 K C -0.983 175.667 176.600 0.084 0.000 0.966 229 K CA -0.666 55.656 56.287 0.057 0.000 0.865 229 K CB 1.719 34.342 32.500 0.206 0.000 1.444 229 K HN 0.901 nan 8.250 nan 0.000 0.433 230 T N -0.922 113.780 114.554 0.246 0.000 2.940 230 T HA 0.531 4.007 4.350 -1.456 0.000 0.288 230 T C -0.784 174.119 174.700 0.338 0.000 1.045 230 T CA -0.933 61.280 62.100 0.188 0.000 1.018 230 T CB 0.910 69.842 68.868 0.106 0.000 1.151 230 T HN 0.690 nan 8.240 nan 0.000 0.529 231 N N 0.250 119.093 118.700 0.238 0.000 2.461 231 N HA 0.374 4.240 4.740 -1.456 0.000 0.284 231 N C 0.599 176.181 175.510 0.120 0.000 1.049 231 N CA -0.777 52.451 53.050 0.297 0.000 0.889 231 N CB 1.838 40.529 38.487 0.342 0.000 1.365 231 N HN 0.639 nan 8.380 nan 0.000 0.499 232 T N 0.248 114.833 114.554 0.052 0.000 2.720 232 T HA -0.127 3.349 4.350 -1.456 0.000 0.268 232 T C 0.034 174.502 174.700 -0.387 0.000 1.037 232 T CA 1.697 63.673 62.100 -0.207 0.000 1.144 232 T CB -0.231 68.488 68.868 -0.249 0.000 0.864 232 T HN 0.419 nan 8.240 nan 0.000 0.444 233 Y N -1.256 119.089 120.300 0.076 0.000 2.753 233 Y HA 0.622 4.298 4.550 -1.457 0.000 0.324 233 Y C 1.597 177.535 175.900 0.063 0.000 1.147 233 Y CA -1.070 57.061 58.100 0.052 0.000 1.173 233 Y CB 0.632 39.108 38.460 0.026 0.000 1.361 233 Y HN -0.081 nan 8.280 nan 0.000 0.545 234 G N -0.271 108.672 108.800 0.239 0.000 2.683 234 G HA2 -0.096 2.990 3.960 -1.456 0.000 0.213 234 G HA3 -0.096 2.990 3.960 -1.456 0.000 0.213 234 G C 1.311 176.261 174.900 0.082 0.000 1.142 234 G CA 0.259 45.438 45.100 0.132 0.000 0.793 234 G HN 0.496 nan 8.290 nan 0.000 0.534 235 L N 2.362 123.610 121.223 0.040 0.000 2.189 235 L HA -0.136 3.330 4.340 -1.456 0.000 0.214 235 L C 2.955 179.807 176.870 -0.031 0.000 1.097 235 L CA 2.255 57.036 54.840 -0.098 0.000 0.764 235 L CB -0.520 41.418 42.059 -0.202 0.000 0.900 235 L HN 0.303 nan 8.230 nan 0.000 0.436 236 S N -1.251 114.518 115.700 0.116 0.000 2.420 236 S HA -0.212 3.384 4.470 -1.456 0.000 0.237 236 S C 1.680 176.433 174.600 0.254 0.000 1.023 236 S CA 1.271 59.627 58.200 0.262 0.000 0.991 236 S CB -0.685 62.771 63.200 0.427 0.000 0.792 236 S HN 0.603 nan 8.310 nan 0.000 0.488 237 E N 1.503 121.803 120.200 0.167 0.000 2.204 237 E HA -0.043 3.433 4.350 -1.456 0.000 0.194 237 E C 1.537 178.235 176.600 0.162 0.000 0.989 237 E CA 0.807 57.298 56.400 0.150 0.000 0.824 237 E CB -0.118 29.646 29.700 0.107 0.000 0.756 237 E HN 0.596 nan 8.360 nan 0.000 0.477 238 K N 0.527 121.023 120.400 0.159 0.000 2.354 238 K HA 0.161 3.607 4.320 -1.456 0.000 0.194 238 K C 0.708 177.493 176.600 0.309 0.000 1.038 238 K CA -0.014 56.415 56.287 0.237 0.000 1.052 238 K CB 0.722 33.411 32.500 0.315 0.000 0.861 238 K HN -0.066 nan 8.250 nan 0.000 0.535 239 V N 3.404 123.465 119.914 0.244 0.000 2.637 239 V HA 0.062 3.308 4.120 -1.456 0.000 0.296 239 V C 0.645 176.902 176.094 0.272 0.000 1.046 239 V CA 0.172 62.619 62.300 0.245 0.000 1.066 239 V CB 0.774 32.666 31.823 0.116 0.000 0.968 239 V HN 0.406 nan 8.190 nan 0.000 0.483 240 T N 0.683 115.378 114.554 0.234 0.000 2.883 240 T HA 0.589 4.065 4.350 -1.456 0.000 0.296 240 T C -0.516 174.298 174.700 0.189 0.000 1.117 240 T CA -0.714 61.521 62.100 0.225 0.000 1.006 240 T CB 2.012 70.988 68.868 0.180 0.000 1.191 240 T HN 0.603 nan 8.240 nan 0.000 0.508 241 T N -0.029 114.651 114.554 0.211 0.000 2.856 241 T HA 0.408 3.884 4.350 -1.456 0.000 0.283 241 T C 0.997 175.791 174.700 0.157 0.000 1.008 241 T CA -0.749 61.465 62.100 0.189 0.000 0.997 241 T CB 1.603 70.664 68.868 0.321 0.000 0.992 241 T HN 0.826 nan 8.240 nan 0.000 0.454 242 K N 3.147 123.617 120.400 0.115 0.000 2.009 242 K HA -0.041 3.405 4.320 -1.456 0.000 0.210 242 K C 0.130 176.791 176.600 0.100 0.000 1.049 242 K CA 1.426 57.768 56.287 0.092 0.000 0.929 242 K CB -0.004 32.534 32.500 0.064 0.000 0.714 242 K HN 0.656 nan 8.250 nan 0.000 0.440 243 N N 0.651 119.423 118.700 0.120 0.000 2.370 243 N HA 0.098 3.964 4.740 -1.456 0.000 0.303 243 N C -1.475 174.150 175.510 0.191 0.000 1.103 243 N CA -0.819 52.306 53.050 0.125 0.000 0.848 243 N CB 1.742 40.288 38.487 0.098 0.000 1.235 243 N HN 0.085 nan 8.380 nan 0.000 0.496 244 K N 0.850 121.332 120.400 0.137 0.000 2.380 244 K HA 0.308 3.755 4.320 -1.456 0.000 0.267 244 K C -0.896 175.827 176.600 0.206 0.000 0.990 244 K CA -0.062 56.293 56.287 0.113 0.000 0.946 244 K CB 0.266 32.789 32.500 0.039 0.000 0.937 244 K HN 0.569 nan 8.250 nan 0.000 0.491 245 F N -2.080 117.878 119.950 0.014 0.000 2.662 245 F HA 0.502 4.155 4.527 -1.456 0.000 0.312 245 F C -1.250 174.539 175.800 -0.018 0.000 1.113 245 F CA -1.497 56.498 58.000 -0.009 0.000 0.951 245 F CB 1.297 40.283 39.000 -0.024 0.000 1.344 245 F HN 0.186 nan 8.300 nan 0.000 0.462 246 K N 2.029 122.520 120.400 0.151 0.000 2.201 246 K HA 0.057 3.503 4.320 -1.456 0.000 0.278 246 K C -0.549 176.116 176.600 0.108 0.000 1.027 246 K CA -0.308 55.998 56.287 0.032 0.000 0.909 246 K CB 1.314 33.827 32.500 0.021 0.000 1.062 246 K HN 0.834 nan 8.250 nan 0.000 0.465 247 W N 6.552 127.733 121.300 -0.199 0.000 2.385 247 W HA -0.027 3.760 4.660 -1.455 0.000 0.336 247 W C -1.971 174.408 176.519 -0.232 0.000 1.351 247 W CA -0.799 56.413 57.345 -0.222 0.000 1.295 247 W CB 0.131 29.316 29.460 -0.459 0.000 1.239 247 W HN 0.367 nan 8.180 nan 0.000 0.565 248 P HA -0.007 nan 4.420 nan 0.000 0.267 248 P C -0.398 176.760 177.300 -0.237 0.000 1.200 248 P CA 0.366 63.183 63.100 -0.473 0.000 0.772 248 P CB 0.778 31.930 31.700 -0.914 0.000 0.855 249 L N 2.667 123.819 121.223 -0.118 0.000 2.290 249 L HA 0.312 3.778 4.340 -1.456 0.000 0.284 249 L C 0.202 177.060 176.870 -0.020 0.000 1.078 249 L CA -0.703 54.115 54.840 -0.036 0.000 0.815 249 L CB 1.105 43.137 42.059 -0.046 0.000 1.162 249 L HN 0.118 nan 8.230 nan 0.000 0.435 250 V N 3.104 123.036 119.914 0.031 0.000 2.487 250 V HA 0.737 3.983 4.120 -1.456 0.000 0.298 250 V C 0.699 176.810 176.094 0.029 0.000 1.028 250 V CA 0.288 62.585 62.300 -0.005 0.000 0.860 250 V CB 1.097 32.827 31.823 -0.155 0.000 0.991 250 V HN 1.088 nan 8.190 nan 0.000 0.427 251 G N 5.378 114.187 108.800 0.016 0.000 2.531 251 G HA2 -0.241 2.845 3.960 -1.456 0.000 0.274 251 G HA3 -0.241 2.845 3.960 -1.456 0.000 0.274 251 G C 0.213 175.125 174.900 0.020 0.000 1.159 251 G CA 0.637 45.757 45.100 0.033 0.000 0.969 251 G HN 0.805 nan 8.290 nan 0.000 0.554 252 E N -0.064 120.155 120.200 0.031 0.000 2.660 252 E HA 0.350 3.826 4.350 -1.456 0.000 0.216 252 E C 0.659 177.267 176.600 0.013 0.000 0.986 252 E CA 0.559 56.961 56.400 0.004 0.000 1.037 252 E CB 1.002 30.710 29.700 0.012 0.000 1.041 252 E HN 0.678 nan 8.360 nan 0.000 0.480 253 T N 0.483 115.071 114.554 0.056 0.000 2.739 253 T HA 0.140 3.616 4.350 -1.456 0.000 0.298 253 T C -0.117 174.525 174.700 -0.096 0.000 0.929 253 T CA -0.603 61.549 62.100 0.087 0.000 1.014 253 T CB 0.364 69.343 68.868 0.186 0.000 0.914 253 T HN -0.027 nan 8.240 nan 0.000 0.509 254 E N 4.164 124.065 120.200 -0.499 0.000 2.217 254 E HA 0.351 3.827 4.350 -1.456 0.000 0.279 254 E C -0.329 176.117 176.600 -0.256 0.000 1.068 254 E CA -0.234 55.833 56.400 -0.554 0.000 0.882 254 E CB 0.623 29.677 29.700 -1.076 0.000 1.039 254 E HN 0.631 nan 8.360 nan 0.000 0.418 255 L N 1.530 122.695 121.223 -0.095 0.000 2.303 255 L HA 0.441 3.907 4.340 -1.456 0.000 0.266 255 L C 0.549 177.397 176.870 -0.037 0.000 1.011 255 L CA -0.682 54.146 54.840 -0.019 0.000 0.818 255 L CB 1.766 43.841 42.059 0.027 0.000 1.326 255 L HN 0.318 nan 8.230 nan 0.000 0.435 256 S N 0.927 116.603 115.700 -0.041 0.000 2.740 256 S HA 0.493 4.089 4.470 -1.456 0.000 0.244 256 S C -0.289 174.255 174.600 -0.093 0.000 1.101 256 S CA -0.489 57.684 58.200 -0.045 0.000 1.123 256 S CB -0.399 62.794 63.200 -0.012 0.000 1.012 256 S HN 0.411 nan 8.310 nan 0.000 0.491 257 I N 2.154 122.612 120.570 -0.187 0.000 2.496 257 I HA 0.350 3.646 4.170 -1.456 0.000 0.285 257 I C 0.455 176.425 176.117 -0.246 0.000 1.080 257 I CA -0.077 61.000 61.300 -0.372 0.000 1.404 257 I CB 0.859 38.349 38.000 -0.851 0.000 1.403 257 I HN 0.384 nan 8.210 nan 0.000 0.539 258 E N 6.561 126.633 120.200 -0.214 0.000 2.176 258 E HA 0.413 3.889 4.350 -1.456 0.000 0.267 258 E C -1.182 175.271 176.600 -0.245 0.000 0.893 258 E CA -0.797 55.489 56.400 -0.190 0.000 0.761 258 E CB 1.360 31.004 29.700 -0.092 0.000 1.133 258 E HN 0.390 nan 8.360 nan 0.000 0.409 259 I N 3.416 123.721 120.570 -0.441 0.000 2.315 259 I HA 0.285 3.581 4.170 -1.456 0.000 0.291 259 I C 0.544 176.512 176.117 -0.248 0.000 1.006 259 I CA -0.429 60.605 61.300 -0.445 0.000 1.265 259 I CB 0.621 38.073 38.000 -0.914 0.000 1.387 259 I HN 0.552 nan 8.210 nan 0.000 0.475 260 A N 5.567 128.334 122.820 -0.089 0.000 2.407 260 A HA 0.663 4.109 4.320 -1.456 0.000 0.248 260 A C 0.494 178.106 177.584 0.047 0.000 1.082 260 A CA -0.307 51.724 52.037 -0.011 0.000 0.785 260 A CB 0.438 19.444 19.000 0.010 0.000 1.020 260 A HN 0.851 nan 8.150 nan 0.000 0.489 261 A N 1.671 124.531 122.820 0.067 0.000 2.287 261 A HA 0.497 3.944 4.320 -1.456 0.000 0.273 261 A C 0.749 178.388 177.584 0.092 0.000 1.091 261 A CA -0.145 51.951 52.037 0.099 0.000 0.817 261 A CB -0.155 18.900 19.000 0.092 0.000 1.069 261 A HN 1.267 nan 8.150 nan 0.000 0.492 262 N N -0.686 118.077 118.700 0.105 0.000 2.696 262 N HA -0.183 3.683 4.740 -1.456 0.000 0.249 262 N C -0.207 175.360 175.510 0.096 0.000 1.090 262 N CA 1.710 54.818 53.050 0.096 0.000 0.716 262 N CB -1.114 37.417 38.487 0.074 0.000 1.020 262 N HN 0.848 nan 8.380 nan 0.000 0.548 263 Q N 0.133 120.002 119.800 0.114 0.000 2.304 263 Q HA 0.335 3.801 4.340 -1.456 0.000 0.270 263 Q C -0.479 175.611 176.000 0.149 0.000 1.035 263 Q CA -0.439 55.428 55.803 0.106 0.000 0.781 263 Q CB 1.613 30.396 28.738 0.075 0.000 1.261 263 Q HN 0.215 nan 8.270 nan 0.000 0.444 264 S N 3.813 119.601 115.700 0.147 0.000 2.599 264 S HA -0.136 3.461 4.470 -1.456 0.000 0.303 264 S C 0.841 175.583 174.600 0.237 0.000 1.267 264 S CA 0.044 58.360 58.200 0.192 0.000 1.055 264 S CB 0.282 63.572 63.200 0.149 0.000 0.790 264 S HN 0.901 nan 8.310 nan 0.000 0.500 265 W N 4.626 125.991 121.300 0.109 0.000 2.338 265 W HA -0.182 3.605 4.660 -1.456 0.000 0.304 265 W C 1.968 178.568 176.519 0.135 0.000 1.212 265 W CA 1.305 58.727 57.345 0.128 0.000 1.264 265 W CB -0.809 28.738 29.460 0.146 0.000 1.142 265 W HN 0.942 nan 8.180 nan 0.000 0.512 266 A N 0.222 123.183 122.820 0.234 0.000 2.172 266 A HA -0.139 3.307 4.320 -1.456 0.000 0.216 266 A C 1.880 179.477 177.584 0.021 0.000 1.154 266 A CA 1.774 53.883 52.037 0.120 0.000 0.701 266 A CB -0.875 18.222 19.000 0.161 0.000 0.789 266 A HN 0.329 nan 8.150 nan 0.000 0.465 267 S N -1.282 114.425 115.700 0.011 0.000 2.556 267 S HA 0.121 3.717 4.470 -1.456 0.000 0.216 267 S C 0.549 175.107 174.600 -0.069 0.000 0.970 267 S CA -0.282 57.907 58.200 -0.019 0.000 0.912 267 S CB -0.036 63.172 63.200 0.013 0.000 0.790 267 S HN 0.588 nan 8.310 nan 0.000 0.504 268 Q N 1.681 121.412 119.800 -0.115 0.000 2.788 268 Q HA 0.387 3.853 4.340 -1.456 0.000 0.278 268 Q C -0.725 175.142 176.000 -0.221 0.000 1.126 268 Q CA -0.356 55.365 55.803 -0.137 0.000 1.017 268 Q CB 0.353 29.019 28.738 -0.119 0.000 1.219 268 Q HN 0.298 nan 8.270 nan 0.000 0.503 269 N N 1.141 119.662 118.700 -0.298 0.000 2.251 269 N HA 0.196 4.062 4.740 -1.456 0.000 0.217 269 N C 0.286 175.320 175.510 -0.794 0.000 1.124 269 N CA 0.418 53.232 53.050 -0.393 0.000 0.843 269 N CB 1.479 39.817 38.487 -0.248 0.000 1.024 269 N HN 0.635 nan 8.380 nan 0.000 0.501 270 G N -1.554 106.442 108.800 -1.340 0.000 2.347 270 G HA2 0.389 3.475 3.960 -1.456 0.000 0.341 270 G HA3 0.389 3.475 3.960 -1.456 0.000 0.341 270 G C -0.454 173.686 174.900 -1.266 0.000 1.287 270 G CA -0.318 43.483 45.100 -2.165 0.000 0.984 270 G HN 0.507 nan 8.290 nan 0.000 0.526 271 G N -1.769 106.338 108.800 -1.155 0.000 2.356 271 G HA2 0.595 3.681 3.960 -1.456 0.000 0.266 271 G HA3 0.595 3.681 3.960 -1.456 0.000 0.266 271 G C -0.726 174.010 174.900 -0.274 0.000 1.312 271 G CA 0.741 45.545 45.100 -0.493 0.000 0.922 271 G HN 2.081 nan 8.290 nan 0.000 0.480 272 S N 0.277 115.925 115.700 -0.088 0.000 2.718 272 S HA 0.628 4.224 4.470 -1.456 0.000 0.294 272 S C -0.021 174.611 174.600 0.053 0.000 1.157 272 S CA 0.536 58.733 58.200 -0.005 0.000 1.121 272 S CB 0.287 63.461 63.200 -0.043 0.000 1.015 272 S HN 1.598 nan 8.310 nan 0.000 0.479 273 T N 1.859 116.486 114.554 0.121 0.000 2.749 273 T HA 0.492 3.968 4.350 -1.456 0.000 0.287 273 T C 0.288 175.018 174.700 0.049 0.000 0.970 273 T CA -0.594 61.563 62.100 0.095 0.000 0.980 273 T CB 0.786 69.726 68.868 0.120 0.000 0.924 273 T HN 0.587 nan 8.240 nan 0.000 0.456 274 T N 2.213 116.784 114.554 0.029 0.000 2.738 274 T HA 0.331 3.807 4.350 -1.456 0.000 0.294 274 T C 0.428 175.141 174.700 0.022 0.000 0.914 274 T CA -0.642 61.467 62.100 0.016 0.000 1.052 274 T CB -0.459 68.414 68.868 0.008 0.000 0.897 274 T HN 0.698 nan 8.240 nan 0.000 0.522 275 T N 3.708 118.278 114.554 0.025 0.000 2.926 275 T HA 0.272 3.748 4.350 -1.456 0.000 0.307 275 T C 0.430 175.157 174.700 0.044 0.000 1.059 275 T CA -0.458 61.665 62.100 0.038 0.000 1.122 275 T CB 1.008 69.910 68.868 0.058 0.000 0.972 275 T HN 0.683 nan 8.240 nan 0.000 0.545 276 S N 1.794 117.525 115.700 0.051 0.000 2.433 276 S HA 0.457 4.054 4.470 -1.456 0.000 0.310 276 S C -0.493 174.154 174.600 0.078 0.000 1.097 276 S CA -0.846 57.388 58.200 0.057 0.000 1.103 276 S CB -0.029 63.197 63.200 0.044 0.000 0.992 276 S HN 0.404 nan 8.310 nan 0.000 0.469 277 L N 4.659 125.940 121.223 0.096 0.000 2.360 277 L HA 0.470 3.936 4.340 -1.456 0.000 0.276 277 L C 0.265 177.188 176.870 0.088 0.000 1.121 277 L CA 0.576 55.487 54.840 0.119 0.000 0.845 277 L CB 0.999 43.146 42.059 0.146 0.000 1.143 277 L HN 0.729 nan 8.230 nan 0.000 0.452 278 S N 3.359 119.110 115.700 0.084 0.000 2.545 278 S HA 0.606 4.202 4.470 -1.456 0.000 0.259 278 S C -0.968 173.670 174.600 0.064 0.000 1.092 278 S CA -0.909 57.329 58.200 0.064 0.000 1.054 278 S CB 1.023 64.254 63.200 0.053 0.000 1.146 278 S HN 0.500 nan 8.310 nan 0.000 0.447 279 Q N 1.778 121.613 119.800 0.059 0.000 2.372 279 Q HA 0.835 4.301 4.340 -1.456 0.000 0.273 279 Q C -0.945 175.080 176.000 0.043 0.000 1.078 279 Q CA -0.217 55.620 55.803 0.055 0.000 0.806 279 Q CB 2.466 31.240 28.738 0.060 0.000 1.332 279 Q HN 0.977 nan 8.270 nan 0.000 0.435 280 S N 0.319 116.043 115.700 0.041 0.000 2.651 280 S HA 0.923 4.520 4.470 -1.456 0.000 0.279 280 S C -1.433 173.188 174.600 0.036 0.000 1.148 280 S CA -0.805 57.417 58.200 0.038 0.000 0.837 280 S CB 1.824 65.047 63.200 0.039 0.000 1.138 280 S HN 0.545 nan 8.310 nan 0.000 0.478 281 V N 0.354 120.290 119.914 0.037 0.000 3.048 281 V HA 0.690 3.936 4.120 -1.456 0.000 0.303 281 V C -1.590 174.530 176.094 0.043 0.000 1.214 281 V CA -0.720 61.602 62.300 0.036 0.000 0.984 281 V CB 2.248 34.089 31.823 0.030 0.000 1.054 281 V HN 1.071 nan 8.190 nan 0.000 0.430 282 R N 6.195 126.720 120.500 0.042 0.000 2.352 282 R HA 0.573 4.039 4.340 -1.456 0.000 0.304 282 R C -2.673 173.656 176.300 0.049 0.000 1.104 282 R CA -1.379 54.751 56.100 0.049 0.000 0.991 282 R CB 1.542 31.863 30.300 0.035 0.000 1.140 282 R HN 0.636 nan 8.270 nan 0.000 0.540 283 P HA 0.261 nan 4.420 nan 0.000 0.284 283 P C -1.058 176.282 177.300 0.067 0.000 1.258 283 P CA -0.395 62.741 63.100 0.059 0.000 0.824 283 P CB 1.730 33.467 31.700 0.063 0.000 1.038 284 T N 0.959 115.546 114.554 0.055 0.000 2.770 284 T HA 0.336 3.812 4.350 -1.456 0.000 0.297 284 T C -0.135 174.600 174.700 0.059 0.000 0.997 284 T CA -0.382 61.751 62.100 0.054 0.000 0.949 284 T CB 0.434 69.325 68.868 0.038 0.000 0.941 284 T HN 0.098 nan 8.240 nan 0.000 0.457 285 V N 6.953 126.909 119.914 0.069 0.000 2.313 285 V HA 0.318 3.564 4.120 -1.456 0.000 0.278 285 V C -2.181 173.946 176.094 0.055 0.000 1.017 285 V CA -2.325 60.015 62.300 0.066 0.000 0.823 285 V CB 0.949 32.817 31.823 0.075 0.000 1.010 285 V HN 0.626 nan 8.190 nan 0.000 0.443 286 P HA 0.089 nan 4.420 nan 0.000 0.269 286 P C 0.030 177.348 177.300 0.030 0.000 1.211 286 P CA 0.071 63.192 63.100 0.035 0.000 0.781 286 P CB 0.498 32.216 31.700 0.030 0.000 0.877 287 A N 3.458 126.293 122.820 0.024 0.000 2.565 287 A HA 0.006 3.452 4.320 -1.456 0.000 0.237 287 A C 0.600 178.189 177.584 0.009 0.000 1.053 287 A CA 0.007 52.055 52.037 0.018 0.000 0.755 287 A CB -0.593 18.416 19.000 0.015 0.000 0.980 287 A HN 0.696 nan 8.150 nan 0.000 0.506 288 R N 0.432 120.934 120.500 0.003 0.000 3.267 288 R HA -0.130 3.336 4.340 -1.456 0.000 0.254 288 R C -0.450 175.840 176.300 -0.016 0.000 0.993 288 R CA 1.064 57.157 56.100 -0.011 0.000 0.670 288 R CB -2.911 27.381 30.300 -0.013 0.000 1.125 288 R HN 0.704 nan 8.270 nan 0.000 0.434 289 S N -0.205 115.490 115.700 -0.008 0.000 2.638 289 S HA 0.718 4.314 4.470 -1.456 0.000 0.274 289 S C -0.579 174.023 174.600 0.003 0.000 1.157 289 S CA -1.061 57.136 58.200 -0.005 0.000 0.826 289 S CB 2.825 66.038 63.200 0.022 0.000 1.139 289 S HN 0.416 nan 8.310 nan 0.000 0.474 290 K N 0.289 120.698 120.400 0.014 0.000 2.477 290 K HA 0.793 4.239 4.320 -1.456 0.000 0.255 290 K C -1.348 175.405 176.600 0.256 0.000 0.952 290 K CA -0.940 55.403 56.287 0.093 0.000 0.826 290 K CB 1.421 33.895 32.500 -0.045 0.000 1.331 290 K HN 0.669 nan 8.250 nan 0.000 0.437 291 I N -2.145 118.641 120.570 0.361 0.000 2.569 291 I HA 0.505 3.801 4.170 -1.456 0.000 0.296 291 I C -2.822 173.475 176.117 0.300 0.000 1.028 291 I CA -3.004 58.489 61.300 0.323 0.000 1.082 291 I CB 1.986 40.076 38.000 0.150 0.000 1.264 291 I HN 0.361 nan 8.210 nan 0.000 0.429 292 P HA 0.241 nan 4.420 nan 0.000 0.276 292 P C -0.782 176.344 177.300 -0.290 0.000 1.230 292 P CA -0.185 62.559 63.100 -0.593 0.000 0.776 292 P CB 1.230 32.556 31.700 -0.624 0.000 0.888 293 V N 3.969 123.690 119.914 -0.321 0.000 2.604 293 V HA 0.555 3.801 4.120 -1.456 0.000 0.305 293 V C 0.021 175.998 176.094 -0.194 0.000 1.043 293 V CA -0.506 61.689 62.300 -0.174 0.000 0.888 293 V CB 1.911 33.674 31.823 -0.101 0.000 0.995 293 V HN 0.482 nan 8.190 nan 0.000 0.429 294 K N 4.685 125.003 120.400 -0.138 0.000 2.501 294 K HA 0.738 4.184 4.320 -1.456 0.000 0.252 294 K C -1.877 174.659 176.600 -0.107 0.000 0.934 294 K CA -0.642 55.564 56.287 -0.135 0.000 0.797 294 K CB 2.073 34.495 32.500 -0.131 0.000 1.270 294 K HN 0.702 nan 8.250 nan 0.000 0.431 295 I N 2.696 123.188 120.570 -0.130 0.000 2.468 295 I HA 0.277 3.573 4.170 -1.456 0.000 0.285 295 I C -0.637 175.347 176.117 -0.220 0.000 1.039 295 I CA -0.838 60.378 61.300 -0.139 0.000 1.074 295 I CB 1.964 39.888 38.000 -0.127 0.000 1.228 295 I HN 0.555 nan 8.210 nan 0.000 0.436 296 E N 6.396 126.442 120.200 -0.256 0.000 2.229 296 E HA 0.487 3.963 4.350 -1.456 0.000 0.283 296 E C -1.006 175.134 176.600 -0.768 0.000 1.030 296 E CA -0.476 55.636 56.400 -0.480 0.000 0.836 296 E CB 1.633 31.076 29.700 -0.429 0.000 1.068 296 E HN 0.452 nan 8.360 nan 0.000 0.401 297 L N 4.323 125.089 121.223 -0.762 0.000 2.295 297 L HA 0.439 3.906 4.340 -1.456 0.000 0.285 297 L C -0.817 175.633 176.870 -0.701 0.000 1.035 297 L CA -0.782 53.629 54.840 -0.714 0.000 0.806 297 L CB 0.296 41.844 42.059 -0.851 0.000 1.214 297 L HN 0.508 nan 8.230 nan 0.000 0.426 298 Y N 1.772 121.903 120.300 -0.283 0.000 2.598 298 Y HA 0.585 4.261 4.550 -1.456 0.000 0.340 298 Y C -0.075 175.601 175.900 -0.373 0.000 1.038 298 Y CA -1.068 56.787 58.100 -0.409 0.000 1.100 298 Y CB 1.757 39.737 38.460 -0.799 0.000 1.281 298 Y HN 0.365 nan 8.280 nan 0.000 0.488 299 K N 1.227 121.602 120.400 -0.042 0.000 2.482 299 K HA 0.884 4.330 4.320 -1.456 0.000 0.251 299 K C -1.930 174.710 176.600 0.065 0.000 0.936 299 K CA -0.614 55.674 56.287 0.002 0.000 0.791 299 K CB 1.812 34.337 32.500 0.041 0.000 1.213 299 K HN 0.852 nan 8.250 nan 0.000 0.428 300 A N 3.261 126.177 122.820 0.159 0.000 2.515 300 A HA 0.522 3.968 4.320 -1.456 0.000 0.298 300 A C -1.686 175.992 177.584 0.156 0.000 1.059 300 A CA -0.783 51.370 52.037 0.193 0.000 0.698 300 A CB 1.227 20.424 19.000 0.329 0.000 1.289 300 A HN 0.852 nan 8.150 nan 0.000 0.404 301 D N 0.808 121.277 120.400 0.115 0.000 2.575 301 D HA 0.678 4.444 4.640 -1.456 0.000 0.236 301 D C -1.089 175.272 176.300 0.102 0.000 1.075 301 D CA -0.308 53.743 54.000 0.084 0.000 0.860 301 D CB 2.351 43.176 40.800 0.041 0.000 1.475 301 D HN 0.543 nan 8.370 nan 0.000 0.474 302 I N -0.160 120.469 120.570 0.097 0.000 2.802 302 I HA 0.390 3.686 4.170 -1.456 0.000 0.298 302 I C -1.622 174.539 176.117 0.074 0.000 1.176 302 I CA -0.150 61.243 61.300 0.154 0.000 1.025 302 I CB 2.107 40.275 38.000 0.280 0.000 1.243 302 I HN 0.445 nan 8.210 nan 0.000 0.424 303 S N 5.422 121.193 115.700 0.118 0.000 2.540 303 S HA 0.828 4.424 4.470 -1.456 0.000 0.275 303 S C -1.757 172.974 174.600 0.219 0.000 1.123 303 S CA -0.521 57.706 58.200 0.045 0.000 0.907 303 S CB 1.758 64.981 63.200 0.039 0.000 1.081 303 S HN 0.605 nan 8.310 nan 0.000 0.476 304 Y N -1.015 119.467 120.300 0.303 0.000 2.687 304 Y HA 0.627 4.303 4.550 -1.456 0.000 0.338 304 Y C -3.699 172.420 175.900 0.366 0.000 1.189 304 Y CA -2.520 55.758 58.100 0.296 0.000 1.097 304 Y CB -0.088 38.542 38.460 0.284 0.000 1.342 304 Y HN 0.357 nan 8.280 nan 0.000 0.461 305 P HA 0.269 nan 4.420 nan 0.000 0.280 305 P C -1.332 176.292 177.300 0.541 0.000 1.244 305 P CA 0.157 63.486 63.100 0.383 0.000 0.784 305 P CB 0.332 32.149 31.700 0.195 0.000 0.913 306 Y N -0.244 120.353 120.300 0.494 0.000 2.587 306 Y HA 0.833 4.509 4.550 -1.457 0.000 0.337 306 Y C -0.529 175.499 175.900 0.213 0.000 1.065 306 Y CA -1.575 56.778 58.100 0.421 0.000 1.126 306 Y CB 1.739 40.710 38.460 0.851 0.000 1.279 306 Y HN 0.390 nan 8.280 nan 0.000 0.489 307 E N 1.698 121.973 120.200 0.125 0.000 2.347 307 E HA 0.496 3.973 4.350 -1.456 0.000 0.285 307 E C -2.347 174.212 176.600 -0.069 0.000 0.925 307 E CA -0.474 55.970 56.400 0.073 0.000 0.779 307 E CB 1.360 31.026 29.700 -0.056 0.000 1.233 307 E HN 0.603 nan 8.360 nan 0.000 0.414 308 F N 1.791 121.816 119.950 0.125 0.000 2.618 308 F HA 0.603 4.256 4.527 -1.457 0.000 0.332 308 F C -0.038 175.730 175.800 -0.053 0.000 1.061 308 F CA -0.916 57.084 58.000 -0.001 0.000 0.974 308 F CB 1.564 40.504 39.000 -0.100 0.000 1.310 308 F HN 0.137 nan 8.300 nan 0.000 0.491 309 K N 1.206 121.689 120.400 0.139 0.000 2.292 309 K HA 0.743 4.189 4.320 -1.456 0.000 0.257 309 K C -1.150 175.471 176.600 0.035 0.000 0.940 309 K CA -0.701 55.620 56.287 0.057 0.000 0.811 309 K CB 1.932 34.450 32.500 0.029 0.000 1.120 309 K HN 0.645 nan 8.250 nan 0.000 0.428 310 A N 2.905 125.747 122.820 0.036 0.000 2.288 310 A HA 0.338 3.784 4.320 -1.456 0.000 0.320 310 A C -0.597 177.053 177.584 0.110 0.000 1.217 310 A CA -0.709 51.364 52.037 0.059 0.000 0.840 310 A CB 0.321 19.368 19.000 0.078 0.000 1.179 310 A HN 0.581 nan 8.150 nan 0.000 0.504 311 D N 2.186 122.643 120.400 0.094 0.000 2.371 311 D HA 0.272 4.038 4.640 -1.456 0.000 0.256 311 D C 0.006 176.392 176.300 0.144 0.000 1.193 311 D CA 0.430 54.488 54.000 0.096 0.000 0.881 311 D CB 1.324 42.156 40.800 0.053 0.000 1.143 311 D HN 0.186 nan 8.370 nan 0.000 0.473 312 V N 2.400 122.427 119.914 0.188 0.000 2.465 312 V HA 0.364 3.610 4.120 -1.456 0.000 0.279 312 V C 0.586 176.775 176.094 0.159 0.000 1.045 312 V CA -0.395 62.055 62.300 0.250 0.000 0.938 312 V CB 1.299 33.361 31.823 0.399 0.000 0.986 312 V HN 0.659 nan 8.190 nan 0.000 0.467 313 S N 4.333 120.071 115.700 0.062 0.000 2.570 313 S HA 0.949 4.545 4.470 -1.456 0.000 0.286 313 S C -1.171 173.344 174.600 -0.142 0.000 1.099 313 S CA -0.745 57.383 58.200 -0.121 0.000 0.913 313 S CB 2.203 65.321 63.200 -0.137 0.000 1.085 313 S HN 0.936 nan 8.310 nan 0.000 0.480 314 Y N -1.728 118.411 120.300 -0.267 0.000 2.677 314 Y HA 0.687 4.364 4.550 -1.456 0.000 0.334 314 Y C -1.798 173.963 175.900 -0.232 0.000 1.196 314 Y CA -1.263 56.560 58.100 -0.462 0.000 1.059 314 Y CB 0.182 38.050 38.460 -0.986 0.000 1.315 314 Y HN 0.470 nan 8.280 nan 0.000 0.455 315 D N 1.734 122.098 120.400 -0.060 0.000 2.177 315 D HA 0.421 4.187 4.640 -1.456 0.000 0.247 315 D C -1.313 175.063 176.300 0.127 0.000 1.063 315 D CA -0.172 53.823 54.000 -0.007 0.000 0.867 315 D CB 2.336 43.123 40.800 -0.022 0.000 1.168 315 D HN 0.545 nan 8.370 nan 0.000 0.445 316 L N 2.114 123.431 121.223 0.157 0.000 2.318 316 L HA 0.306 3.772 4.340 -1.456 0.000 0.277 316 L C -0.539 176.429 176.870 0.163 0.000 1.008 316 L CA -0.196 54.779 54.840 0.225 0.000 0.846 316 L CB 1.306 43.532 42.059 0.279 0.000 1.220 316 L HN 0.188 nan 8.230 nan 0.000 0.423 317 T N 6.067 120.689 114.554 0.114 0.000 2.756 317 T HA 0.516 3.992 4.350 -1.456 0.000 0.290 317 T C -0.074 174.654 174.700 0.047 0.000 0.985 317 T CA -0.318 61.820 62.100 0.064 0.000 0.955 317 T CB 0.514 69.407 68.868 0.041 0.000 0.930 317 T HN 0.325 nan 8.240 nan 0.000 0.451 318 L N 2.890 124.128 121.223 0.025 0.000 2.276 318 L HA 0.603 4.069 4.340 -1.456 0.000 0.286 318 L C 0.529 177.345 176.870 -0.091 0.000 1.061 318 L CA -0.547 54.172 54.840 -0.202 0.000 0.807 318 L CB 1.272 43.021 42.059 -0.518 0.000 1.177 318 L HN 0.536 nan 8.230 nan 0.000 0.429 319 S N 2.082 117.738 115.700 -0.075 0.000 2.779 319 S HA 0.860 4.456 4.470 -1.456 0.000 0.293 319 S C -0.283 174.451 174.600 0.223 0.000 1.150 319 S CA -0.121 58.168 58.200 0.149 0.000 1.057 319 S CB 1.138 64.400 63.200 0.103 0.000 1.021 319 S HN 0.941 nan 8.310 nan 0.000 0.485 320 G N 2.926 111.998 108.800 0.453 0.000 2.341 320 G HA2 0.455 3.541 3.960 -1.456 0.000 0.299 320 G HA3 0.455 3.541 3.960 -1.456 0.000 0.299 320 G C -1.494 173.689 174.900 0.472 0.000 1.274 320 G CA -0.557 44.796 45.100 0.422 0.000 0.853 320 G HN 0.910 nan 8.290 nan 0.000 0.493 321 F N -0.074 120.046 119.950 0.283 0.000 2.432 321 F HA 0.859 4.513 4.527 -1.456 0.000 0.329 321 F C -0.306 175.511 175.800 0.029 0.000 1.076 321 F CA -1.604 56.498 58.000 0.169 0.000 1.018 321 F CB 1.115 40.212 39.000 0.162 0.000 1.201 321 F HN 0.356 nan 8.300 nan 0.000 0.489 322 L N 4.169 125.450 121.223 0.097 0.000 2.305 322 L HA 0.443 3.909 4.340 -1.456 0.000 0.281 322 L C 0.641 177.538 176.870 0.044 0.000 1.085 322 L CA -0.730 54.004 54.840 -0.176 0.000 0.813 322 L CB 0.887 42.707 42.059 -0.397 0.000 1.157 322 L HN 0.716 nan 8.230 nan 0.000 0.436 323 R N 1.442 121.893 120.500 -0.081 0.000 2.623 323 R HA -0.049 3.417 4.340 -1.456 0.000 0.271 323 R C -0.613 175.750 176.300 0.104 0.000 1.043 323 R CA -0.235 55.896 56.100 0.052 0.000 1.083 323 R CB 0.554 30.820 30.300 -0.057 0.000 0.974 323 R HN 0.518 nan 8.270 nan 0.000 0.436 324 W N 3.083 124.436 121.300 0.089 0.000 2.303 324 W HA 0.185 3.971 4.660 -1.456 0.000 0.318 324 W C 0.760 177.296 176.519 0.029 0.000 1.362 324 W CA 0.919 58.295 57.345 0.053 0.000 1.234 324 W CB 0.529 30.030 29.460 0.068 0.000 1.248 324 W HN 0.851 nan 8.180 nan 0.000 0.546 325 G N 3.931 112.065 108.800 -1.111 0.000 2.273 325 G HA2 0.114 3.200 3.960 -1.456 0.000 0.280 325 G HA3 0.114 3.200 3.960 -1.456 0.000 0.280 325 G C 0.222 174.902 174.900 -0.366 0.000 1.047 325 G CA 0.248 44.732 45.100 -1.026 0.000 0.869 325 G HN 1.880 nan 8.290 nan 0.000 0.502 326 G N -0.683 107.973 108.800 -0.240 0.000 3.265 326 G HA2 0.577 3.663 3.960 -1.456 0.000 0.236 326 G HA3 0.577 3.663 3.960 -1.456 0.000 0.236 326 G C -0.725 174.040 174.900 -0.224 0.000 3.888 326 G CA 0.300 45.402 45.100 0.004 0.000 0.423 326 G HN 1.560 nan 8.290 nan 0.000 0.303 327 N N -0.990 117.239 118.700 -0.785 0.000 2.647 327 N HA 0.758 4.624 4.740 -1.456 0.000 0.266 327 N C 0.658 175.352 175.510 -1.361 0.000 1.373 327 N CA -0.307 52.238 53.050 -0.842 0.000 0.807 327 N CB 1.523 39.724 38.487 -0.476 0.000 1.513 327 N HN 0.435 nan 8.380 nan 0.000 0.505 328 A N -1.029 121.387 122.820 -0.674 0.000 2.308 328 A HA 0.113 3.559 4.320 -1.456 0.000 0.217 328 A C -0.283 177.136 177.584 -0.274 0.000 1.216 328 A CA -0.584 51.231 52.037 -0.370 0.000 0.864 328 A CB -0.508 18.538 19.000 0.077 0.000 0.902 328 A HN 0.655 nan 8.150 nan 0.000 0.499 329 W N 1.429 122.355 121.300 -0.623 0.000 2.264 329 W HA 0.040 3.827 4.660 -1.456 0.000 0.331 329 W C 1.125 177.095 176.519 -0.916 0.000 1.364 329 W CA 0.328 57.129 57.345 -0.907 0.000 1.253 329 W CB 0.290 29.023 29.460 -1.211 0.000 1.215 329 W HN 0.617 nan 8.180 nan 0.000 0.561 330 Y N 2.319 121.807 120.300 -1.353 0.000 2.298 330 Y HA -0.296 3.381 4.550 -1.456 0.000 0.287 330 Y C 2.086 177.647 175.900 -0.566 0.000 1.164 330 Y CA 2.316 59.891 58.100 -0.875 0.000 1.229 330 Y CB -1.023 36.971 38.460 -0.776 0.000 0.977 330 Y HN 0.258 nan 8.280 nan 0.000 0.538 331 T N -3.610 110.232 114.554 -1.186 0.000 3.100 331 T HA 0.015 3.491 4.350 -1.456 0.000 0.253 331 T C 0.182 174.694 174.700 -0.313 0.000 1.118 331 T CA 0.376 62.075 62.100 -0.669 0.000 1.058 331 T CB -0.754 67.767 68.868 -0.578 0.000 0.953 331 T HN 0.644 nan 8.240 nan 0.000 0.515 332 H N 2.113 120.951 119.070 -0.386 0.000 2.591 332 H HA -0.073 3.609 4.556 -1.457 0.000 0.325 332 H C -2.338 172.807 175.328 -0.305 0.000 1.096 332 H CA 0.478 56.298 56.048 -0.380 0.000 1.108 332 H CB -1.539 27.995 29.762 -0.379 0.000 1.590 332 H HN 0.496 nan 8.280 nan 0.000 0.399 333 P HA 0.059 nan 4.420 nan 0.000 0.271 333 P C 0.509 177.727 177.300 -0.137 0.000 1.218 333 P CA -0.040 62.960 63.100 -0.167 0.000 0.780 333 P CB 0.759 32.341 31.700 -0.196 0.000 0.901 334 D N -0.611 119.758 120.400 -0.052 0.000 2.479 334 D HA -0.025 3.741 4.640 -1.456 0.000 0.218 334 D C 0.536 176.959 176.300 0.204 0.000 1.177 334 D CA -0.148 53.867 54.000 0.025 0.000 0.830 334 D CB -0.747 40.057 40.800 0.007 0.000 1.014 334 D HN 0.185 nan 8.370 nan 0.000 0.503 335 N N 1.439 120.205 118.700 0.109 0.000 2.268 335 N HA 0.008 3.874 4.740 -1.456 0.000 0.204 335 N C 0.044 175.622 175.510 0.113 0.000 1.124 335 N CA -0.358 52.759 53.050 0.111 0.000 0.838 335 N CB -0.190 38.337 38.487 0.067 0.000 0.994 335 N HN 0.046 nan 8.380 nan 0.000 0.489 336 R N -0.571 120.022 120.500 0.154 0.000 3.333 336 R HA -0.109 3.357 4.340 -1.456 0.000 0.256 336 R C -2.224 174.172 176.300 0.161 0.000 1.010 336 R CA 0.430 56.649 56.100 0.197 0.000 0.680 336 R CB -1.711 28.652 30.300 0.106 0.000 1.102 336 R HN 0.447 nan 8.270 nan 0.000 0.440 337 P HA 0.025 nan 4.420 nan 0.000 0.271 337 P C -0.394 177.098 177.300 0.319 0.000 1.218 337 P CA -0.120 63.103 63.100 0.206 0.000 0.780 337 P CB 0.529 32.377 31.700 0.247 0.000 0.901 338 N N 1.700 120.558 118.700 0.263 0.000 2.483 338 N HA 0.040 3.906 4.740 -1.456 0.000 0.264 338 N C -0.579 175.112 175.510 0.302 0.000 1.197 338 N CA 0.452 53.672 53.050 0.283 0.000 0.927 338 N CB 0.273 38.858 38.487 0.162 0.000 1.065 338 N HN 0.544 nan 8.380 nan 0.000 0.461 339 W N 2.145 123.490 121.300 0.075 0.000 2.915 339 W HA 0.332 4.118 4.660 -1.457 0.000 0.337 339 W C -1.085 175.543 176.519 0.182 0.000 1.102 339 W CA -0.459 56.896 57.345 0.017 0.000 1.224 339 W CB 1.708 31.093 29.460 -0.124 0.000 1.416 339 W HN 0.326 nan 8.180 nan 0.000 0.503 340 N N 2.981 121.588 118.700 -0.156 0.000 2.258 340 N HA 0.271 4.137 4.740 -1.456 0.000 0.299 340 N C -1.730 173.838 175.510 0.097 0.000 1.047 340 N CA -0.484 52.598 53.050 0.053 0.000 0.814 340 N CB 2.292 40.742 38.487 -0.061 0.000 1.413 340 N HN 0.492 nan 8.380 nan 0.000 0.478 341 H N -0.537 118.636 119.070 0.171 0.000 3.026 341 H HA 0.372 4.054 4.556 -1.457 0.000 0.352 341 H C -1.355 173.948 175.328 -0.041 0.000 1.090 341 H CA -0.188 55.943 56.048 0.138 0.000 1.268 341 H CB 1.222 31.291 29.762 0.512 0.000 1.816 341 H HN 0.269 nan 8.280 nan 0.000 0.518 342 T N 5.830 120.055 114.554 -0.549 0.000 2.770 342 T HA 0.328 3.804 4.350 -1.456 0.000 0.283 342 T C -0.872 173.608 174.700 -0.367 0.000 0.988 342 T CA -0.390 61.516 62.100 -0.323 0.000 0.957 342 T CB -0.069 68.673 68.868 -0.209 0.000 0.930 342 T HN 0.226 nan 8.240 nan 0.000 0.443 343 F N 1.976 121.975 119.950 0.081 0.000 2.421 343 F HA 0.468 4.122 4.527 -1.456 0.000 0.337 343 F C 0.304 176.080 175.800 -0.040 0.000 1.105 343 F CA -1.235 56.814 58.000 0.082 0.000 1.049 343 F CB 1.185 40.277 39.000 0.154 0.000 1.139 343 F HN 0.170 nan 8.300 nan 0.000 0.479 344 V N 5.479 125.451 119.914 0.097 0.000 2.368 344 V HA 0.188 3.434 4.120 -1.456 0.000 0.266 344 V C 0.132 176.153 176.094 -0.121 0.000 1.045 344 V CA -0.481 61.783 62.300 -0.059 0.000 0.899 344 V CB 0.517 32.274 31.823 -0.111 0.000 1.006 344 V HN 0.370 nan 8.190 nan 0.000 0.470 345 I N 5.885 126.286 120.570 -0.283 0.000 2.256 345 I HA 0.641 3.937 4.170 -1.456 0.000 0.294 345 I C 0.896 176.744 176.117 -0.447 0.000 1.127 345 I CA 0.645 61.681 61.300 -0.440 0.000 1.247 345 I CB -0.382 37.124 38.000 -0.824 0.000 1.460 345 I HN 0.829 nan 8.210 nan 0.000 0.511 346 G N 8.054 116.713 108.800 -0.235 0.000 2.403 346 G HA2 0.147 3.233 3.960 -1.456 0.000 0.223 346 G HA3 0.147 3.233 3.960 -1.456 0.000 0.223 346 G C -3.081 171.774 174.900 -0.074 0.000 1.287 346 G CA -0.668 44.341 45.100 -0.151 0.000 0.982 346 G HN 0.281 nan 8.290 nan 0.000 0.471 347 P HA 0.376 nan 4.420 nan 0.000 0.269 347 P C -0.613 176.712 177.300 0.042 0.000 1.209 347 P CA -0.176 62.935 63.100 0.017 0.000 0.776 347 P CB 0.202 31.913 31.700 0.020 0.000 0.876 348 Y N 2.252 122.532 120.300 -0.033 0.000 2.702 348 Y HA -0.065 3.612 4.550 -1.456 0.000 0.336 348 Y C 1.294 177.172 175.900 -0.038 0.000 1.235 348 Y CA 1.072 59.154 58.100 -0.030 0.000 1.492 348 Y CB 0.577 39.027 38.460 -0.016 0.000 1.308 348 Y HN 0.369 nan 8.280 nan 0.000 0.589 349 K N 1.768 121.781 120.400 -0.646 0.000 2.485 349 K HA 0.137 3.583 4.320 -1.456 0.000 0.200 349 K C -0.948 175.211 176.600 -0.736 0.000 1.344 349 K CA 0.529 56.539 56.287 -0.462 0.000 0.948 349 K CB 0.546 32.883 32.500 -0.271 0.000 1.454 349 K HN 0.808 nan 8.250 nan 0.000 0.502 350 D N -1.184 118.593 120.400 -1.038 0.000 2.639 350 D HA 0.106 3.872 4.640 -1.456 0.000 0.271 350 D C 0.035 175.915 176.300 -0.700 0.000 1.254 350 D CA -0.651 52.897 54.000 -0.754 0.000 0.810 350 D CB 0.773 41.371 40.800 -0.336 0.000 1.351 350 D HN -0.200 nan 8.370 nan 0.000 0.427 351 K N 0.076 120.227 120.400 -0.415 0.000 2.026 351 K HA -0.045 3.401 4.320 -1.456 0.000 0.208 351 K C 1.974 178.174 176.600 -0.667 0.000 1.048 351 K CA 1.550 57.562 56.287 -0.459 0.000 0.929 351 K CB -0.448 31.821 32.500 -0.384 0.000 0.713 351 K HN 0.468 nan 8.250 nan 0.000 0.439 352 A N 2.024 124.192 122.820 -1.086 0.000 1.917 352 A HA -0.188 3.259 4.320 -1.456 0.000 0.219 352 A C 2.144 179.491 177.584 -0.394 0.000 1.182 352 A CA 2.321 53.541 52.037 -1.361 0.000 0.633 352 A CB -0.561 17.907 19.000 -0.887 0.000 0.819 352 A HN 0.437 nan 8.150 nan 0.000 0.448 353 S N -1.580 113.969 115.700 -0.252 0.000 2.597 353 S HA 0.296 3.892 4.470 -1.456 0.000 0.224 353 S C 0.494 175.211 174.600 0.194 0.000 0.955 353 S CA 0.419 58.622 58.200 0.004 0.000 0.933 353 S CB -0.202 62.908 63.200 -0.150 0.000 0.788 353 S HN 0.402 nan 8.310 nan 0.000 0.488 354 S N 1.083 116.877 115.700 0.156 0.000 2.474 354 S HA 0.486 4.082 4.470 -1.456 0.000 0.320 354 S C 0.889 175.638 174.600 0.248 0.000 1.067 354 S CA -0.831 57.479 58.200 0.183 0.000 1.127 354 S CB -0.248 63.074 63.200 0.202 0.000 0.971 354 S HN 0.436 nan 8.310 nan 0.000 0.472 355 I N 4.466 125.078 120.570 0.070 0.000 2.163 355 I HA -0.198 3.098 4.170 -1.456 0.000 0.243 355 I C 2.739 178.727 176.117 -0.216 0.000 1.085 355 I CA 1.115 62.285 61.300 -0.216 0.000 1.347 355 I CB -0.213 37.448 38.000 -0.566 0.000 1.044 355 I HN 0.620 nan 8.210 nan 0.000 0.408 356 R N -0.184 120.249 120.500 -0.111 0.000 2.083 356 R HA -0.240 3.226 4.340 -1.456 0.000 0.237 356 R C 2.416 178.748 176.300 0.053 0.000 1.137 356 R CA 2.039 58.100 56.100 -0.064 0.000 0.951 356 R CB -0.761 29.523 30.300 -0.027 0.000 0.851 356 R HN 0.357 nan 8.270 nan 0.000 0.434 357 Y N 2.140 122.482 120.300 0.071 0.000 2.097 357 Y HA -0.292 3.385 4.550 -1.456 0.000 0.282 357 Y C 2.440 178.416 175.900 0.126 0.000 1.152 357 Y CA 1.840 60.014 58.100 0.123 0.000 1.136 357 Y CB -0.178 38.420 38.460 0.230 0.000 0.975 357 Y HN 0.086 nan 8.280 nan 0.000 0.498 358 Q N -0.745 119.238 119.800 0.305 0.000 2.061 358 Q HA -0.292 3.174 4.340 -1.456 0.000 0.204 358 Q C 2.237 178.241 176.000 0.007 0.000 0.984 358 Q CA 1.792 57.785 55.803 0.316 0.000 0.846 358 Q CB -0.848 28.298 28.738 0.681 0.000 0.902 358 Q HN 0.730 nan 8.270 nan 0.000 0.421 359 W N 2.181 123.188 121.300 -0.489 0.000 2.335 359 W HA -0.224 3.561 4.660 -1.458 0.000 0.311 359 W C 0.807 177.142 176.519 -0.307 0.000 1.213 359 W CA 1.691 58.710 57.345 -0.544 0.000 1.274 359 W CB -0.090 28.982 29.460 -0.647 0.000 1.148 359 W HN 0.194 nan 8.180 nan 0.000 0.498 360 D N 0.141 120.476 120.400 -0.109 0.000 2.310 360 D HA -0.107 3.659 4.640 -1.456 0.000 0.212 360 D C 1.648 177.800 176.300 -0.245 0.000 0.965 360 D CA 1.121 55.018 54.000 -0.172 0.000 0.879 360 D CB -0.172 40.558 40.800 -0.116 0.000 0.921 360 D HN 0.050 nan 8.370 nan 0.000 0.510 361 K N 0.487 120.709 120.400 -0.297 0.000 2.372 361 K HA 0.099 3.545 4.320 -1.456 0.000 0.200 361 K C 1.590 178.085 176.600 -0.175 0.000 1.022 361 K CA -0.101 56.040 56.287 -0.244 0.000 1.125 361 K CB 0.480 32.784 32.500 -0.326 0.000 0.855 361 K HN 0.291 nan 8.250 nan 0.000 0.524 362 R N -0.330 119.992 120.500 -0.296 0.000 2.249 362 R HA -0.129 3.337 4.340 -1.456 0.000 0.230 362 R C 0.380 176.396 176.300 -0.473 0.000 1.121 362 R CA 1.406 57.277 56.100 -0.382 0.000 0.997 362 R CB -0.329 29.607 30.300 -0.608 0.000 0.867 362 R HN 0.089 nan 8.270 nan 0.000 0.465 363 Y N 0.783 121.019 120.300 -0.106 0.000 2.485 363 Y HA 0.386 4.063 4.550 -1.456 0.000 0.260 363 Y C 0.325 176.189 175.900 -0.060 0.000 1.173 363 Y CA -0.602 57.448 58.100 -0.082 0.000 1.252 363 Y CB 0.557 38.958 38.460 -0.098 0.000 1.123 363 Y HN -0.058 nan 8.280 nan 0.000 0.524 364 I N 1.767 122.356 120.570 0.033 0.000 2.347 364 I HA 0.219 3.515 4.170 -1.456 0.000 0.283 364 I C -1.798 174.318 176.117 -0.002 0.000 1.058 364 I CA -1.900 59.412 61.300 0.021 0.000 1.202 364 I CB 1.380 39.386 38.000 0.011 0.000 1.386 364 I HN -0.114 nan 8.210 nan 0.000 0.475 365 P HA -0.197 nan 4.420 nan 0.000 0.217 365 P C 1.693 178.960 177.300 -0.054 0.000 1.151 365 P CA 1.243 64.328 63.100 -0.025 0.000 0.849 365 P CB 0.243 31.936 31.700 -0.012 0.000 0.787 366 G N -0.525 108.252 108.800 -0.037 0.000 2.471 366 G HA2 -0.188 2.898 3.960 -1.456 0.000 0.219 366 G HA3 -0.188 2.898 3.960 -1.456 0.000 0.219 366 G C 1.398 176.257 174.900 -0.068 0.000 1.125 366 G CA 0.425 45.493 45.100 -0.053 0.000 0.775 366 G HN 0.228 nan 8.290 nan 0.000 0.548 367 E N 0.198 120.386 120.200 -0.021 0.000 2.385 367 E HA 0.029 3.506 4.350 -1.456 0.000 0.194 367 E C 1.033 177.616 176.600 -0.028 0.000 1.013 367 E CA 0.016 56.449 56.400 0.055 0.000 0.866 367 E CB 0.191 29.975 29.700 0.140 0.000 0.832 367 E HN 0.226 nan 8.360 nan 0.000 0.500 368 V N 2.896 122.731 119.914 -0.132 0.000 2.242 368 V HA 0.032 3.278 4.120 -1.456 0.000 0.242 368 V C 1.097 176.788 176.094 -0.672 0.000 1.240 368 V CA 0.604 62.768 62.300 -0.226 0.000 1.211 368 V CB -0.484 31.257 31.823 -0.136 0.000 1.338 368 V HN 0.048 nan 8.190 nan 0.000 0.499 369 K N 1.990 121.824 120.400 -0.943 0.000 2.373 369 K HA 0.196 3.642 4.320 -1.456 0.000 0.200 369 K C 0.686 176.175 176.600 -1.852 0.000 1.054 369 K CA 0.104 55.360 56.287 -1.718 0.000 1.065 369 K CB 0.556 31.900 32.500 -1.926 0.000 0.886 369 K HN 0.608 nan 8.250 nan 0.000 0.546 370 W N -0.478 120.424 121.300 -0.663 0.000 4.467 370 W HA 0.199 3.985 4.660 -1.457 0.000 0.171 370 W C -0.102 175.594 176.519 -1.372 0.000 3.245 370 W CA -0.304 56.442 57.345 -0.999 0.000 1.578 370 W CB -0.531 28.771 29.460 -0.263 0.000 1.993 370 W HN -0.161 nan 8.180 nan 0.000 0.440 371 W N 2.096 123.327 121.300 -0.115 0.000 2.512 371 W HA 0.279 4.065 4.660 -1.457 0.000 0.335 371 W C -0.185 176.105 176.519 -0.382 0.000 1.088 371 W CA -0.158 56.968 57.345 -0.364 0.000 1.236 371 W CB 0.622 29.762 29.460 -0.533 0.000 1.307 371 W HN -0.255 nan 8.180 nan 0.000 0.567 372 D N 1.974 122.284 120.400 -0.149 0.000 2.500 372 D HA 0.101 3.867 4.640 -1.456 0.000 0.219 372 D C 0.256 176.567 176.300 0.020 0.000 1.137 372 D CA -0.534 53.447 54.000 -0.032 0.000 0.946 372 D CB 0.074 40.891 40.800 0.029 0.000 1.022 372 D HN 0.380 nan 8.370 nan 0.000 0.518 373 W N 2.130 123.537 121.300 0.178 0.000 2.392 373 W HA -0.095 3.692 4.660 -1.455 0.000 0.279 373 W C 1.861 178.394 176.519 0.023 0.000 1.225 373 W CA -0.048 57.389 57.345 0.153 0.000 1.233 373 W CB -0.126 29.399 29.460 0.107 0.000 1.122 373 W HN 0.337 nan 8.180 nan 0.000 0.561 374 N N -0.784 117.978 118.700 0.102 0.000 2.223 374 N HA -0.202 3.664 4.740 -1.456 0.000 0.185 374 N C 1.242 176.825 175.510 0.122 0.000 1.016 374 N CA 1.390 54.448 53.050 0.013 0.000 0.863 374 N CB -1.012 37.447 38.487 -0.047 0.000 0.983 374 N HN 0.333 nan 8.380 nan 0.000 0.429 375 W N 2.125 123.442 121.300 0.028 0.000 2.388 375 W HA -0.153 3.634 4.660 -1.456 0.000 0.294 375 W C 2.321 178.859 176.519 0.031 0.000 1.212 375 W CA 2.242 59.608 57.345 0.036 0.000 1.271 375 W CB -0.489 29.043 29.460 0.119 0.000 1.126 375 W HN 0.107 nan 8.180 nan 0.000 0.535 376 T N -1.623 113.071 114.554 0.233 0.000 2.867 376 T HA -0.212 3.264 4.350 -1.456 0.000 0.268 376 T C 1.745 176.404 174.700 -0.069 0.000 1.057 376 T CA 1.705 63.842 62.100 0.062 0.000 1.136 376 T CB -0.655 68.374 68.868 0.268 0.000 0.874 376 T HN 0.254 nan 8.240 nan 0.000 0.466 377 I N 1.024 121.606 120.570 0.019 0.000 2.286 377 I HA -0.102 3.194 4.170 -1.456 0.000 0.245 377 I C 3.131 179.181 176.117 -0.111 0.000 1.104 377 I CA 1.078 62.373 61.300 -0.009 0.000 1.397 377 I CB -0.447 37.567 38.000 0.024 0.000 1.072 377 I HN 0.245 nan 8.210 nan 0.000 0.417 378 Q N 0.877 120.578 119.800 -0.165 0.000 2.096 378 Q HA -0.248 3.218 4.340 -1.456 0.000 0.204 378 Q C 2.109 177.923 176.000 -0.309 0.000 0.982 378 Q CA 1.721 57.392 55.803 -0.219 0.000 0.850 378 Q CB -0.055 28.531 28.738 -0.254 0.000 0.901 378 Q HN 0.529 nan 8.270 nan 0.000 0.422 379 Q N -0.148 119.353 119.800 -0.498 0.000 2.083 379 Q HA -0.066 3.400 4.340 -1.456 0.000 0.198 379 Q C 1.166 176.998 176.000 -0.281 0.000 0.969 379 Q CA 1.551 57.058 55.803 -0.494 0.000 0.838 379 Q CB -0.014 28.241 28.738 -0.804 0.000 0.900 379 Q HN 0.544 nan 8.270 nan 0.000 0.436 380 N N -1.212 117.333 118.700 -0.260 0.000 2.257 380 N HA 0.277 4.143 4.740 -1.456 0.000 0.200 380 N C -0.030 175.393 175.510 -0.145 0.000 1.163 380 N CA 0.503 53.426 53.050 -0.211 0.000 0.891 380 N CB 1.622 39.869 38.487 -0.400 0.000 1.067 380 N HN 0.222 nan 8.380 nan 0.000 0.497 381 G N 0.459 109.190 108.800 -0.115 0.000 2.619 381 G HA2 -0.183 2.903 3.960 -1.456 0.000 0.686 381 G HA3 -0.183 2.903 3.960 -1.456 0.000 0.686 381 G C -0.001 174.891 174.900 -0.013 0.000 1.256 381 G CA -0.528 44.538 45.100 -0.057 0.000 0.826 381 G HN 0.097 nan 8.290 nan 0.000 0.619 382 L N 1.336 122.580 121.223 0.035 0.000 2.044 382 L HA 0.141 3.607 4.340 -1.456 0.000 0.205 382 L C 3.010 179.933 176.870 0.088 0.000 1.075 382 L CA 3.140 58.048 54.840 0.114 0.000 0.747 382 L CB -0.670 41.461 42.059 0.119 0.000 0.903 382 L HN 1.153 nan 8.230 nan 0.000 0.435 383 S N -1.559 114.162 115.700 0.035 0.000 2.359 383 S HA -0.237 3.359 4.470 -1.456 0.000 0.224 383 S C 1.974 176.553 174.600 -0.036 0.000 1.035 383 S CA 2.112 60.315 58.200 0.005 0.000 1.018 383 S CB -0.534 62.664 63.200 -0.004 0.000 0.876 383 S HN 0.640 nan 8.310 nan 0.000 0.448 384 T N 2.587 117.105 114.554 -0.060 0.000 2.684 384 T HA -0.072 3.404 4.350 -1.456 0.000 0.267 384 T C 1.910 176.525 174.700 -0.141 0.000 1.036 384 T CA 1.646 63.681 62.100 -0.107 0.000 1.148 384 T CB -0.284 68.498 68.868 -0.144 0.000 0.863 384 T HN 0.297 nan 8.240 nan 0.000 0.436 385 M N 1.177 120.693 119.600 -0.141 0.000 2.117 385 M HA -0.030 3.576 4.480 -1.456 0.000 0.262 385 M C 2.311 178.459 176.300 -0.253 0.000 1.065 385 M CA 1.421 56.634 55.300 -0.145 0.000 1.114 385 M CB -1.307 31.344 32.600 0.085 0.000 1.361 385 M HN 0.322 nan 8.290 nan 0.000 0.408 386 Q N -0.161 119.523 119.800 -0.194 0.000 2.084 386 Q HA -0.161 3.305 4.340 -1.456 0.000 0.202 386 Q C 1.835 177.699 176.000 -0.227 0.000 0.978 386 Q CA 1.591 57.230 55.803 -0.273 0.000 0.844 386 Q CB -0.259 28.425 28.738 -0.089 0.000 0.898 386 Q HN 0.661 nan 8.270 nan 0.000 0.426 387 N N 0.365 118.980 118.700 -0.141 0.000 2.188 387 N HA -0.143 3.723 4.740 -1.456 0.000 0.184 387 N C 1.697 177.138 175.510 -0.116 0.000 1.018 387 N CA 0.684 53.666 53.050 -0.114 0.000 0.858 387 N CB -0.107 38.330 38.487 -0.084 0.000 0.989 387 N HN 0.271 nan 8.380 nan 0.000 0.426 388 N N 1.758 120.401 118.700 -0.096 0.000 2.058 388 N HA -0.123 3.743 4.740 -1.456 0.000 0.191 388 N C 1.707 177.152 175.510 -0.108 0.000 1.037 388 N CA 0.959 53.987 53.050 -0.037 0.000 0.848 388 N CB -0.070 38.511 38.487 0.156 0.000 1.021 388 N HN 0.183 nan 8.380 nan 0.000 0.422 389 L N 0.760 121.856 121.223 -0.212 0.000 2.201 389 L HA -0.059 3.407 4.340 -1.456 0.000 0.212 389 L C 2.678 179.376 176.870 -0.286 0.000 1.105 389 L CA 0.830 55.481 54.840 -0.315 0.000 0.775 389 L CB -0.438 41.274 42.059 -0.578 0.000 0.913 389 L HN 0.237 nan 8.230 nan 0.000 0.440 390 A N 0.304 122.977 122.820 -0.245 0.000 1.930 390 A HA -0.165 3.281 4.320 -1.456 0.000 0.217 390 A C 2.417 179.921 177.584 -0.134 0.000 1.175 390 A CA 1.177 53.101 52.037 -0.188 0.000 0.627 390 A CB -0.337 18.572 19.000 -0.152 0.000 0.815 390 A HN 0.312 nan 8.150 nan 0.000 0.443 391 R N -0.669 119.762 120.500 -0.115 0.000 2.075 391 R HA -0.056 3.410 4.340 -1.456 0.000 0.232 391 R C 2.013 178.265 176.300 -0.080 0.000 1.126 391 R CA 1.373 57.424 56.100 -0.081 0.000 0.963 391 R CB -0.528 29.730 30.300 -0.070 0.000 0.858 391 R HN 0.389 nan 8.270 nan 0.000 0.435 392 V N 1.525 121.370 119.914 -0.115 0.000 2.343 392 V HA -0.192 3.054 4.120 -1.456 0.000 0.247 392 V C 2.039 178.074 176.094 -0.098 0.000 1.051 392 V CA 1.566 63.790 62.300 -0.127 0.000 1.036 392 V CB -0.299 31.428 31.823 -0.161 0.000 0.654 392 V HN 0.299 nan 8.190 nan 0.000 0.451 393 L N -0.625 120.519 121.223 -0.132 0.000 2.591 393 L HA 0.141 3.607 4.340 -1.456 0.000 0.228 393 L C 1.309 178.136 176.870 -0.073 0.000 1.133 393 L CA -0.028 54.737 54.840 -0.124 0.000 0.880 393 L CB -0.295 41.656 42.059 -0.179 0.000 1.033 393 L HN 0.174 nan 8.230 nan 0.000 0.450 394 R N 2.268 122.742 120.500 -0.043 0.000 2.504 394 R HA 0.024 3.490 4.340 -1.456 0.000 0.291 394 R C -2.113 174.199 176.300 0.019 0.000 0.974 394 R CA -1.234 54.858 56.100 -0.014 0.000 1.077 394 R CB 0.316 30.617 30.300 0.001 0.000 0.926 394 R HN -0.103 nan 8.270 nan 0.000 0.407 395 P HA -0.005 nan 4.420 nan 0.000 0.268 395 P C -1.087 176.250 177.300 0.061 0.000 1.204 395 P CA -0.058 63.058 63.100 0.026 0.000 0.768 395 P CB 0.825 32.531 31.700 0.009 0.000 0.842 396 V N 5.313 125.289 119.914 0.102 0.000 2.495 396 V HA 0.492 3.738 4.120 -1.456 0.000 0.298 396 V C 0.361 176.528 176.094 0.122 0.000 1.031 396 V CA -0.542 61.836 62.300 0.130 0.000 0.871 396 V CB 1.710 33.662 31.823 0.217 0.000 0.988 396 V HN 0.485 nan 8.190 nan 0.000 0.432 397 R N 2.453 123.009 120.500 0.093 0.000 2.795 397 R HA 0.871 4.337 4.340 -1.456 0.000 0.275 397 R C -0.912 175.435 176.300 0.078 0.000 0.981 397 R CA -0.720 55.433 56.100 0.088 0.000 0.917 397 R CB 2.476 32.807 30.300 0.052 0.000 1.202 397 R HN 0.771 nan 8.270 nan 0.000 0.469 398 A N 0.859 123.730 122.820 0.084 0.000 2.342 398 A HA 0.681 4.127 4.320 -1.456 0.000 0.323 398 A C -0.055 177.544 177.584 0.025 0.000 1.125 398 A CA -0.688 51.376 52.037 0.045 0.000 0.785 398 A CB 1.554 20.579 19.000 0.042 0.000 1.221 398 A HN 0.767 nan 8.150 nan 0.000 0.463 399 G N 1.159 109.966 108.800 0.011 0.000 2.442 399 G HA2 0.497 3.583 3.960 -1.456 0.000 0.249 399 G HA3 0.497 3.583 3.960 -1.456 0.000 0.249 399 G C -0.348 174.577 174.900 0.041 0.000 1.263 399 G CA -0.169 44.946 45.100 0.025 0.000 0.846 399 G HN 0.527 nan 8.290 nan 0.000 0.555 400 I N 2.550 123.168 120.570 0.080 0.000 2.439 400 I HA 0.303 3.599 4.170 -1.456 0.000 0.283 400 I C 0.542 176.797 176.117 0.231 0.000 1.023 400 I CA -0.403 60.966 61.300 0.115 0.000 1.100 400 I CB 0.964 38.935 38.000 -0.048 0.000 1.238 400 I HN 0.629 nan 8.210 nan 0.000 0.445 401 T N 1.937 116.580 114.554 0.148 0.000 2.927 401 T HA 0.998 4.474 4.350 -1.456 0.000 0.286 401 T C 0.039 174.566 174.700 -0.288 0.000 1.040 401 T CA -0.703 61.325 62.100 -0.120 0.000 1.010 401 T CB 2.946 71.793 68.868 -0.036 0.000 1.177 401 T HN 0.897 nan 8.240 nan 0.000 0.546 402 G N -0.127 108.274 108.800 -0.664 0.000 2.333 402 G HA2 0.424 3.510 3.960 -1.456 0.000 0.288 402 G HA3 0.424 3.510 3.960 -1.456 0.000 0.288 402 G C -2.356 172.461 174.900 -0.138 0.000 1.286 402 G CA -0.789 44.147 45.100 -0.273 0.000 0.865 402 G HN 0.784 nan 8.290 nan 0.000 0.506 403 D N -0.331 120.230 120.400 0.269 0.000 2.350 403 D HA 0.643 4.410 4.640 -1.456 0.000 0.245 403 D C -1.341 175.264 176.300 0.507 0.000 1.036 403 D CA -0.053 54.154 54.000 0.345 0.000 0.848 403 D CB 2.636 43.535 40.800 0.164 0.000 1.307 403 D HN 0.302 nan 8.370 nan 0.000 0.469 404 F N 1.300 121.389 119.950 0.232 0.000 2.532 404 F HA 0.500 4.153 4.527 -1.456 0.000 0.321 404 F C -0.812 174.856 175.800 -0.221 0.000 1.089 404 F CA -0.399 57.579 58.000 -0.036 0.000 0.926 404 F CB 1.546 40.450 39.000 -0.159 0.000 1.168 404 F HN 0.270 nan 8.300 nan 0.000 0.459 405 S N 3.810 118.899 115.700 -1.019 0.000 2.533 405 S HA 0.939 4.535 4.470 -1.456 0.000 0.271 405 S C -1.356 172.700 174.600 -0.907 0.000 1.143 405 S CA -0.499 57.259 58.200 -0.737 0.000 0.891 405 S CB 1.283 64.289 63.200 -0.322 0.000 1.105 405 S HN 1.349 nan 8.310 nan 0.000 0.468 406 A N 1.220 123.717 122.820 -0.539 0.000 2.549 406 A HA 0.853 4.299 4.320 -1.456 0.000 0.297 406 A C -1.178 176.362 177.584 -0.074 0.000 1.061 406 A CA -0.625 51.243 52.037 -0.282 0.000 0.690 406 A CB 1.830 20.710 19.000 -0.201 0.000 1.287 406 A HN 0.937 nan 8.150 nan 0.000 0.402 407 E N 0.758 120.944 120.200 -0.023 0.000 2.224 407 E HA 0.644 4.120 4.350 -1.456 0.000 0.265 407 E C -0.719 175.917 176.600 0.059 0.000 0.878 407 E CA -0.304 56.109 56.400 0.023 0.000 0.759 407 E CB 1.524 31.220 29.700 -0.007 0.000 1.164 407 E HN 0.930 nan 8.360 nan 0.000 0.414 408 S N 3.103 118.875 115.700 0.121 0.000 2.618 408 S HA 0.535 4.131 4.470 -1.456 0.000 0.277 408 S C -0.864 173.853 174.600 0.194 0.000 1.138 408 S CA -0.934 57.359 58.200 0.156 0.000 0.844 408 S CB 1.968 65.294 63.200 0.210 0.000 1.127 408 S HN 0.516 nan 8.310 nan 0.000 0.474 409 Q N 0.401 120.280 119.800 0.132 0.000 2.375 409 Q HA 0.813 4.279 4.340 -1.456 0.000 0.271 409 Q C -1.336 174.808 176.000 0.239 0.000 1.074 409 Q CA -0.716 55.105 55.803 0.031 0.000 0.808 409 Q CB 2.018 30.561 28.738 -0.324 0.000 1.327 409 Q HN 0.732 nan 8.270 nan 0.000 0.441 410 F N -0.975 119.129 119.950 0.255 0.000 2.779 410 F HA 0.924 4.578 4.527 -1.456 0.000 0.316 410 F C -1.492 174.501 175.800 0.321 0.000 1.164 410 F CA -1.513 56.647 58.000 0.266 0.000 0.924 410 F CB 0.688 39.806 39.000 0.197 0.000 1.348 410 F HN 0.490 nan 8.300 nan 0.000 0.467 411 A N 0.523 123.594 122.820 0.418 0.000 2.340 411 A HA 0.841 4.287 4.320 -1.456 0.000 0.331 411 A C 0.134 177.915 177.584 0.329 0.000 1.140 411 A CA -0.304 51.848 52.037 0.191 0.000 0.801 411 A CB 0.710 19.770 19.000 0.099 0.000 1.234 411 A HN 1.460 nan 8.150 nan 0.000 0.469 412 G N 0.228 109.157 108.800 0.214 0.000 2.508 412 G HA2 0.377 3.463 3.960 -1.456 0.000 0.278 412 G HA3 0.377 3.463 3.960 -1.456 0.000 0.278 412 G C 0.016 175.015 174.900 0.165 0.000 1.389 412 G CA -0.715 44.588 45.100 0.337 0.000 1.050 412 G HN 0.875 nan 8.290 nan 0.000 0.522 413 N N -1.191 117.591 118.700 0.138 0.000 2.444 413 N HA 0.202 4.068 4.740 -1.456 0.000 0.255 413 N C -0.061 175.473 175.510 0.040 0.000 1.255 413 N CA -0.231 52.867 53.050 0.081 0.000 0.933 413 N CB 1.179 39.709 38.487 0.071 0.000 1.143 413 N HN 0.216 nan 8.380 nan 0.000 0.453 414 I N 1.680 122.265 120.570 0.025 0.000 2.308 414 I HA 0.060 3.356 4.170 -1.456 0.000 0.293 414 I C 0.109 176.228 176.117 0.002 0.000 1.078 414 I CA 0.185 61.486 61.300 0.001 0.000 1.292 414 I CB 0.017 38.020 38.000 0.004 0.000 1.423 414 I HN 0.406 nan 8.210 nan 0.000 0.493 415 E N 7.189 127.381 120.200 -0.012 0.000 2.242 415 E HA 0.619 4.095 4.350 -1.456 0.000 0.275 415 E C -0.526 176.056 176.600 -0.030 0.000 1.002 415 E CA -0.773 55.620 56.400 -0.012 0.000 0.841 415 E CB 2.600 32.294 29.700 -0.010 0.000 1.109 415 E HN 0.547 nan 8.360 nan 0.000 0.394 416 I N -1.752 118.807 120.570 -0.018 0.000 2.608 416 I HA 0.707 4.003 4.170 -1.456 0.000 0.295 416 I C 0.058 176.166 176.117 -0.016 0.000 1.049 416 I CA -0.846 60.441 61.300 -0.021 0.000 1.063 416 I CB 1.931 39.935 38.000 0.006 0.000 1.248 416 I HN 0.539 nan 8.210 nan 0.000 0.424 417 G N 3.149 111.933 108.800 -0.026 0.000 2.568 417 G HA2 0.699 3.786 3.960 -1.456 0.000 0.293 417 G HA3 0.699 3.786 3.960 -1.456 0.000 0.293 417 G C -0.341 174.580 174.900 0.035 0.000 1.347 417 G CA -0.580 44.516 45.100 -0.006 0.000 1.039 417 G HN 1.031 nan 8.290 nan 0.000 0.523 418 A N 0.326 123.176 122.820 0.049 0.000 2.366 418 A HA 0.593 4.039 4.320 -1.456 0.000 0.249 418 A C -1.875 175.768 177.584 0.098 0.000 1.084 418 A CA -0.863 51.212 52.037 0.063 0.000 0.794 418 A CB -0.066 18.966 19.000 0.053 0.000 1.034 418 A HN 0.490 nan 8.150 nan 0.000 0.491 419 P HA 0.266 nan 4.420 nan 0.000 0.271 419 P C -0.841 176.513 177.300 0.090 0.000 1.220 419 P CA 0.075 63.235 63.100 0.099 0.000 0.768 419 P CB 0.850 32.591 31.700 0.068 0.000 0.848 420 V N 6.505 126.480 119.914 0.102 0.000 2.435 420 V HA 0.270 3.516 4.120 -1.456 0.000 0.290 420 V C -2.084 174.001 176.094 -0.015 0.000 1.030 420 V CA -2.219 60.109 62.300 0.047 0.000 0.881 420 V CB 1.434 33.283 31.823 0.043 0.000 0.983 420 V HN 0.469 nan 8.190 nan 0.000 0.445 421 P HA 0.073 nan 4.420 nan 0.000 0.258 421 P C -0.383 176.872 177.300 -0.075 0.000 1.187 421 P CA 0.211 63.289 63.100 -0.036 0.000 0.767 421 P CB 0.434 32.118 31.700 -0.025 0.000 0.770 442 R N 4.625 125.091 120.500 -0.056 0.000 2.670 442 R HA 0.923 4.389 4.340 -1.456 0.000 0.289 442 R C -1.657 174.646 176.300 0.005 0.000 0.965 442 R CA -0.889 55.189 56.100 -0.036 0.000 0.899 442 R CB 1.613 31.893 30.300 -0.034 0.000 1.173 442 R HN 0.539 nan 8.270 nan 0.000 0.456 443 L N 1.983 123.212 121.223 0.009 0.000 2.343 443 L HA 0.432 3.898 4.340 -1.456 0.000 0.275 443 L C -0.026 176.872 176.870 0.048 0.000 1.056 443 L CA -0.583 54.279 54.840 0.036 0.000 0.804 443 L CB 1.694 43.765 42.059 0.019 0.000 1.203 443 L HN 0.762 nan 8.230 nan 0.000 0.440 444 E N 3.972 124.223 120.200 0.086 0.000 3.374 444 E HA 0.375 3.851 4.350 -1.456 0.000 0.223 444 E C -1.129 175.527 176.600 0.093 0.000 1.210 444 E CA 0.001 56.459 56.400 0.096 0.000 0.987 444 E CB 0.939 30.716 29.700 0.128 0.000 1.322 444 E HN 0.442 nan 8.360 nan 0.000 0.404 445 I N 2.146 122.739 120.570 0.038 0.000 2.537 445 I HA 0.274 3.570 4.170 -1.456 0.000 0.276 445 I C -2.326 173.785 176.117 -0.009 0.000 1.063 445 I CA -2.135 59.165 61.300 0.001 0.000 1.144 445 I CB 0.884 38.872 38.000 -0.020 0.000 1.252 445 I HN 0.021 nan 8.210 nan 0.000 0.480 446 P HA 0.110 nan 4.420 nan 0.000 0.262 446 P C -0.775 176.507 177.300 -0.029 0.000 1.182 446 P CA 0.218 63.310 63.100 -0.012 0.000 0.761 446 P CB 0.494 32.189 31.700 -0.008 0.000 0.795 447 L N 3.295 124.504 121.223 -0.024 0.000 2.353 447 L HA 0.233 3.699 4.340 -1.456 0.000 0.270 447 L C 0.349 177.206 176.870 -0.022 0.000 1.003 447 L CA -0.588 54.233 54.840 -0.031 0.000 0.862 447 L CB 1.186 43.231 42.059 -0.024 0.000 1.221 447 L HN 0.282 nan 8.230 nan 0.000 0.430 448 D N 2.852 123.235 120.400 -0.028 0.000 2.416 448 D HA 0.145 3.911 4.640 -1.456 0.000 0.240 448 D C 1.078 177.373 176.300 -0.008 0.000 1.250 448 D CA 0.125 54.115 54.000 -0.017 0.000 0.967 448 D CB 1.538 42.325 40.800 -0.022 0.000 1.059 448 D HN 0.625 nan 8.370 nan 0.000 0.512 449 A N 3.889 126.709 122.820 -0.000 0.000 1.917 449 A HA -0.287 3.159 4.320 -1.456 0.000 0.219 449 A C 1.999 179.593 177.584 0.017 0.000 1.182 449 A CA 1.817 53.861 52.037 0.011 0.000 0.633 449 A CB -0.385 18.622 19.000 0.010 0.000 0.819 449 A HN 0.582 nan 8.150 nan 0.000 0.448 450 Q N -0.560 119.246 119.800 0.011 0.000 2.046 450 Q HA -0.166 3.300 4.340 -1.456 0.000 0.200 450 Q C 2.071 178.082 176.000 0.017 0.000 0.975 450 Q CA 1.981 57.792 55.803 0.013 0.000 0.836 450 Q CB -0.220 28.522 28.738 0.007 0.000 0.896 450 Q HN 0.790 nan 8.270 nan 0.000 0.428 451 E N -0.333 119.874 120.200 0.011 0.000 2.051 451 E HA -0.199 3.278 4.350 -1.456 0.000 0.192 451 E C 1.949 178.570 176.600 0.036 0.000 0.991 451 E CA 1.130 57.538 56.400 0.012 0.000 0.799 451 E CB -0.166 29.530 29.700 -0.006 0.000 0.748 451 E HN 0.416 nan 8.360 nan 0.000 0.449 452 L N 0.513 121.757 121.223 0.035 0.000 2.013 452 L HA -0.226 3.240 4.340 -1.456 0.000 0.212 452 L C 2.833 179.798 176.870 0.159 0.000 1.073 452 L CA 1.471 56.367 54.840 0.092 0.000 0.753 452 L CB -0.541 41.550 42.059 0.053 0.000 0.890 452 L HN 0.197 nan 8.230 nan 0.000 0.432 453 S N -0.138 115.616 115.700 0.090 0.000 2.368 453 S HA -0.136 3.460 4.470 -1.456 0.000 0.225 453 S C 2.009 176.639 174.600 0.049 0.000 1.030 453 S CA 1.341 59.580 58.200 0.065 0.000 0.999 453 S CB -0.463 62.759 63.200 0.037 0.000 0.844 453 S HN 0.539 nan 8.310 nan 0.000 0.459 454 G N 0.988 109.814 108.800 0.045 0.000 2.448 454 G HA2 -0.074 3.012 3.960 -1.456 0.000 0.219 454 G HA3 -0.074 3.012 3.960 -1.456 0.000 0.219 454 G C 1.316 176.242 174.900 0.042 0.000 1.127 454 G CA 0.692 45.810 45.100 0.031 0.000 0.766 454 G HN 0.538 nan 8.290 nan 0.000 0.552 455 L N -0.413 120.865 121.223 0.092 0.000 2.446 455 L HA 0.280 3.746 4.340 -1.456 0.000 0.219 455 L C 1.993 178.903 176.870 0.066 0.000 1.116 455 L CA 0.612 55.534 54.840 0.137 0.000 0.844 455 L CB 0.231 42.445 42.059 0.258 0.000 0.970 455 L HN 0.389 nan 8.230 nan 0.000 0.457 456 G N -0.544 108.260 108.800 0.007 0.000 2.154 456 G HA2 -0.229 2.857 3.960 -1.456 0.000 0.186 456 G HA3 -0.229 2.857 3.960 -1.456 0.000 0.186 456 G C -0.144 174.532 174.900 -0.372 0.000 1.000 456 G CA -0.716 44.269 45.100 -0.192 0.000 0.664 456 G HN 0.116 nan 8.290 nan 0.000 0.513 457 F N 2.509 122.451 119.950 -0.013 0.000 2.332 457 F HA 0.485 4.138 4.527 -1.457 0.000 0.368 457 F C 0.408 176.203 175.800 -0.007 0.000 1.110 457 F CA -1.172 56.822 58.000 -0.010 0.000 1.087 457 F CB 0.952 39.938 39.000 -0.024 0.000 1.235 457 F HN -0.036 nan 8.300 nan 0.000 0.470 458 N N 2.223 120.984 118.700 0.101 0.000 2.472 458 N HA 0.236 4.102 4.740 -1.456 0.000 0.289 458 N C -0.338 175.213 175.510 0.067 0.000 1.156 458 N CA -0.819 52.270 53.050 0.066 0.000 0.940 458 N CB 0.999 39.501 38.487 0.025 0.000 1.200 458 N HN 0.571 nan 8.380 nan 0.000 0.511 459 N N -1.307 117.423 118.700 0.049 0.000 2.714 459 N HA -0.168 3.698 4.740 -1.456 0.000 0.252 459 N C -0.956 174.582 175.510 0.047 0.000 1.014 459 N CA 0.150 53.224 53.050 0.040 0.000 0.735 459 N CB -1.083 37.424 38.487 0.034 0.000 0.924 459 N HN 0.247 nan 8.380 nan 0.000 0.540 460 V N 0.238 120.183 119.914 0.052 0.000 2.530 460 V HA 0.543 3.789 4.120 -1.456 0.000 0.282 460 V C 0.756 176.865 176.094 0.024 0.000 1.048 460 V CA -0.077 62.250 62.300 0.045 0.000 0.997 460 V CB 1.426 33.274 31.823 0.041 0.000 0.987 460 V HN 0.437 nan 8.190 nan 0.000 0.477 461 S N 4.901 120.614 115.700 0.021 0.000 2.564 461 S HA 0.806 4.402 4.470 -1.456 0.000 0.274 461 S C -1.247 173.359 174.600 0.009 0.000 1.124 461 S CA -0.898 57.310 58.200 0.013 0.000 0.869 461 S CB 1.777 64.987 63.200 0.016 0.000 1.105 461 S HN 0.472 nan 8.310 nan 0.000 0.472 462 L N 2.579 123.804 121.223 0.004 0.000 2.349 462 L HA 0.703 4.169 4.340 -1.456 0.000 0.278 462 L C -0.260 176.614 176.870 0.006 0.000 0.996 462 L CA -0.347 54.496 54.840 0.004 0.000 0.825 462 L CB 2.104 44.160 42.059 -0.005 0.000 1.243 462 L HN 1.032 nan 8.230 nan 0.000 0.412 463 S N 2.646 118.353 115.700 0.012 0.000 2.566 463 S HA 0.787 4.383 4.470 -1.456 0.000 0.298 463 S C -0.850 173.760 174.600 0.016 0.000 1.083 463 S CA -0.758 57.449 58.200 0.012 0.000 0.978 463 S CB 2.329 65.539 63.200 0.018 0.000 1.073 463 S HN 0.177 nan 8.310 nan 0.000 0.491 464 V N 2.653 122.570 119.914 0.004 0.000 2.378 464 V HA 0.702 3.948 4.120 -1.456 0.000 0.288 464 V C -0.112 176.001 176.094 0.031 0.000 1.016 464 V CA -0.302 62.001 62.300 0.004 0.000 0.840 464 V CB 0.972 32.754 31.823 -0.069 0.000 0.994 464 V HN 1.165 nan 8.190 nan 0.000 0.431 465 T N 3.725 118.345 114.554 0.110 0.000 2.909 465 T HA 0.604 4.081 4.350 -1.456 0.000 0.299 465 T C -3.126 171.743 174.700 0.282 0.000 1.073 465 T CA -2.376 59.816 62.100 0.154 0.000 0.999 465 T CB 2.270 71.194 68.868 0.093 0.000 1.098 465 T HN 0.350 nan 8.240 nan 0.000 0.477 466 P HA 0.241 nan 4.420 nan 0.000 0.264 466 P C 0.017 177.342 177.300 0.041 0.000 1.193 466 P CA -0.100 63.091 63.100 0.151 0.000 0.763 466 P CB -0.032 31.730 31.700 0.103 0.000 0.810 467 A N 3.690 126.489 122.820 -0.034 0.000 2.545 467 A HA 0.364 3.810 4.320 -1.456 0.000 0.253 467 A C 0.993 178.569 177.584 -0.014 0.000 1.074 467 A CA 0.194 52.221 52.037 -0.017 0.000 0.760 467 A CB -0.479 18.494 19.000 -0.044 0.000 1.005 467 A HN 0.673 nan 8.150 nan 0.000 0.506 468 A N 0.000 122.823 122.820 0.006 0.000 2.254 468 A HA 0.000 3.446 4.320 -1.456 0.000 0.244 468 A CA 0.000 52.041 52.037 0.006 0.000 0.836 468 A CB 0.000 19.009 19.000 0.015 0.000 0.831 468 A HN 0.000 nan 8.150 nan 0.000 0.486