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 2z1k_1_C DATA FIRST_RESID 2 DATA SEQUENCE AWYEGAFFYQ IFPDRFFRAG PPGRPAPAGP FEPWEAPPTL RGFKGGTLWG DATA SEQUENCE VAEKLPYLLD LGVEAIYLNP VFASTANHRY HTVDYFQVDP ILGGNEALRH DATA SEQUENCE LLEVAHAHGV RVILDGVFNH TGRGFFAFQH LXENGEQSPY RDWYHVKGFP DATA SEQUENCE LKAYTAHPNY EAWWGNPELP KLKVETPAVR EYLLAVAEHW IRFGVDGWRL DATA SEQUENCE DVPNEIPDPT FWREFRQRVK GANPEAYIVG EIWEEADFWL QGDXFDAVXN DATA SEQUENCE YPLARAVLGF VGGEALDRDL AAQTGLGRIE PLQALAFSHR LEDLFGRYRP DATA SEQUENCE EVVRAQXNLL TSHDTPRLLS LXRGSVERAR LALALLFLLP GNPTVYYGEE DATA SEQUENCE VGXAGGKDPE NRGGXVWEEA RWQKDLRETV KRLARLRKEH PALRTAPYLR DATA SEQUENCE IYAQDGHLAF ARGPYLAVVN ASPHPFRQDF PLHGVFPRGG RAVDLLSGEV DATA SEQUENCE cTPQGGRLcG PVLPPFSLAL WREA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.310 177.584 -0.457 0.000 1.274 2 A CA 0.000 51.737 52.037 -0.501 0.000 0.836 2 A CB 0.000 18.916 19.000 -0.140 0.000 0.831 3 W N 1.801 122.946 121.300 -0.258 0.000 2.350 3 W HA -0.162 4.498 4.660 -0.001 0.000 0.289 3 W C 1.312 177.770 176.519 -0.102 0.000 1.215 3 W CA 1.812 59.087 57.345 -0.116 0.000 1.236 3 W CB -1.225 28.224 29.460 -0.018 0.000 1.130 3 W HN 0.705 nan 8.180 nan 0.000 0.541 4 Y N 1.184 120.841 120.300 -1.071 0.000 2.471 4 Y HA 0.444 4.994 4.550 -0.000 0.000 0.321 4 Y C 0.012 175.598 175.900 -0.524 0.000 1.195 4 Y CA -0.420 56.981 58.100 -1.165 0.000 1.272 4 Y CB -1.179 36.075 38.460 -2.010 0.000 1.097 4 Y HN -0.026 nan 8.280 nan 0.000 0.507 5 E N 1.183 121.169 120.200 -0.356 0.000 2.103 5 E HA 0.412 4.762 4.350 -0.000 0.000 0.254 5 E C 0.460 177.027 176.600 -0.056 0.000 0.940 5 E CA -0.179 56.112 56.400 -0.182 0.000 0.771 5 E CB 0.606 30.177 29.700 -0.214 0.000 1.153 5 E HN 0.665 nan 8.360 nan 0.000 0.428 6 G N 2.211 111.015 108.800 0.005 0.000 2.134 6 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.209 6 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.209 6 G C 0.261 175.235 174.900 0.124 0.000 0.993 6 G CA -0.154 44.981 45.100 0.058 0.000 0.669 6 G HN 0.635 nan 8.290 nan 0.000 0.519 7 A N 0.005 122.922 122.820 0.162 0.000 2.316 7 A HA 0.682 5.002 4.320 -0.000 0.000 0.284 7 A C -0.005 177.787 177.584 0.345 0.000 1.115 7 A CA -0.510 51.656 52.037 0.215 0.000 0.812 7 A CB 0.546 19.641 19.000 0.160 0.000 1.064 7 A HN 1.316 nan 8.150 nan 0.000 0.489 8 F N 2.876 122.916 119.950 0.150 0.000 2.434 8 F HA 0.508 5.035 4.527 -0.000 0.000 0.358 8 F C -1.098 174.807 175.800 0.174 0.000 1.136 8 F CA -1.465 56.670 58.000 0.225 0.000 1.157 8 F CB -0.711 38.479 39.000 0.317 0.000 1.167 8 F HN 0.371 nan 8.300 nan 0.000 0.539 9 F N 6.138 126.350 119.950 0.437 0.000 2.399 9 F HA 0.340 4.867 4.527 -0.000 0.000 0.334 9 F C -0.808 175.127 175.800 0.224 0.000 1.097 9 F CA -0.405 57.737 58.000 0.238 0.000 1.076 9 F CB 1.137 40.284 39.000 0.246 0.000 1.162 9 F HN 0.410 nan 8.300 nan 0.000 0.495 10 Y N 3.345 123.739 120.300 0.156 0.000 2.338 10 Y HA 0.282 4.832 4.550 -0.000 0.000 0.333 10 Y C -0.636 175.355 175.900 0.152 0.000 0.968 10 Y CA -0.850 57.304 58.100 0.090 0.000 1.123 10 Y CB 1.195 39.569 38.460 -0.144 0.000 1.165 10 Y HN 0.551 nan 8.280 nan 0.000 0.452 11 Q N 6.609 126.358 119.800 -0.084 0.000 2.274 11 Q HA 0.561 4.901 4.340 -0.000 0.000 0.256 11 Q C -1.505 174.363 176.000 -0.220 0.000 0.927 11 Q CA -0.414 55.336 55.803 -0.088 0.000 0.939 11 Q CB 0.838 29.616 28.738 0.066 0.000 1.201 11 Q HN 0.796 nan 8.270 nan 0.000 0.426 12 I N 3.870 124.278 120.570 -0.270 0.000 2.474 12 I HA 0.292 4.462 4.170 -0.000 0.000 0.294 12 I C -0.969 174.960 176.117 -0.314 0.000 1.005 12 I CA -0.886 60.195 61.300 -0.364 0.000 1.113 12 I CB 1.545 39.249 38.000 -0.493 0.000 1.289 12 I HN 0.645 nan 8.210 nan 0.000 0.436 13 F N 8.706 128.345 119.950 -0.518 0.000 2.303 13 F HA 0.395 4.922 4.527 -0.000 0.000 0.368 13 F C -1.735 173.879 175.800 -0.310 0.000 1.105 13 F CA -1.950 55.839 58.000 -0.351 0.000 1.153 13 F CB 0.910 39.781 39.000 -0.215 0.000 1.362 13 F HN 0.310 nan 8.300 nan 0.000 0.511 14 P HA -0.320 nan 4.420 nan 0.000 0.222 14 P C 1.119 178.431 177.300 0.020 0.000 1.159 14 P CA 1.986 64.994 63.100 -0.153 0.000 0.920 14 P CB 0.194 31.731 31.700 -0.272 0.000 0.793 15 D N -2.073 118.335 120.400 0.012 0.000 2.310 15 D HA -0.117 4.522 4.640 -0.000 0.000 0.212 15 D C 1.199 177.594 176.300 0.159 0.000 0.965 15 D CA 0.729 54.807 54.000 0.130 0.000 0.879 15 D CB -0.007 40.847 40.800 0.091 0.000 0.921 15 D HN -0.021 nan 8.370 nan 0.000 0.510 16 R N -0.744 119.855 120.500 0.166 0.000 2.543 16 R HA 0.127 4.467 4.340 -0.000 0.000 0.323 16 R C 0.511 176.926 176.300 0.191 0.000 1.002 16 R CA -0.219 55.848 56.100 -0.055 0.000 1.106 16 R CB -0.301 29.918 30.300 -0.136 0.000 1.280 16 R HN 0.227 nan 8.270 nan 0.000 0.549 17 F N 0.188 120.299 119.950 0.268 0.000 2.202 17 F HA 0.311 4.838 4.527 -0.000 0.000 0.279 17 F C -0.047 176.318 175.800 0.942 0.000 1.077 17 F CA 0.155 58.414 58.000 0.431 0.000 1.193 17 F CB 0.391 39.531 39.000 0.233 0.000 1.090 17 F HN -0.129 nan 8.300 nan 0.000 0.516 18 F N 1.090 121.348 119.950 0.513 0.000 2.623 18 F HA 0.354 4.881 4.527 -0.000 0.000 0.323 18 F C -0.528 175.270 175.800 -0.003 0.000 1.158 18 F CA -1.249 56.791 58.000 0.066 0.000 1.030 18 F CB 0.833 39.744 39.000 -0.147 0.000 1.280 18 F HN -0.161 nan 8.300 nan 0.000 0.474 19 R N 4.497 124.511 120.500 -0.811 0.000 2.216 19 R HA 0.809 5.148 4.340 -0.000 0.000 0.332 19 R C -1.375 174.419 176.300 -0.842 0.000 1.056 19 R CA 0.072 55.805 56.100 -0.612 0.000 0.901 19 R CB 0.422 30.410 30.300 -0.519 0.000 1.039 19 R HN 0.828 nan 8.270 nan 0.000 0.456 20 A N 2.981 125.545 122.820 -0.426 0.000 2.597 20 A HA 0.666 4.985 4.320 -0.000 0.000 0.292 20 A C -0.484 177.064 177.584 -0.060 0.000 1.057 20 A CA -0.208 51.642 52.037 -0.312 0.000 0.674 20 A CB 1.179 19.996 19.000 -0.306 0.000 1.278 20 A HN 1.113 nan 8.150 nan 0.000 0.416 21 G N 0.267 108.969 108.800 -0.163 0.000 2.795 21 G HA2 0.173 4.133 3.960 -0.000 0.000 0.664 21 G HA3 0.173 4.133 3.960 -0.000 0.000 0.664 21 G C -2.695 172.091 174.900 -0.190 0.000 1.381 21 G CA -0.227 44.667 45.100 -0.343 0.000 0.853 21 G HN 1.215 nan 8.290 nan 0.000 0.545 22 P HA 0.394 nan 4.420 nan 0.000 0.285 22 P C -2.273 175.155 177.300 0.212 0.000 1.259 22 P CA -1.167 61.914 63.100 -0.032 0.000 0.794 22 P CB 1.312 32.957 31.700 -0.091 0.000 0.940 23 P HA 0.125 nan 4.420 nan 0.000 0.274 23 P C 0.417 177.834 177.300 0.196 0.000 1.260 23 P CA 0.096 63.314 63.100 0.197 0.000 0.793 23 P CB 0.557 32.351 31.700 0.156 0.000 1.048 24 G N -0.049 108.850 108.800 0.166 0.000 2.531 24 G HA2 0.439 4.399 3.960 -0.000 0.000 0.281 24 G HA3 0.439 4.399 3.960 -0.000 0.000 0.281 24 G C -0.765 174.200 174.900 0.108 0.000 1.382 24 G CA -0.708 44.478 45.100 0.144 0.000 1.045 24 G HN 0.521 nan 8.290 nan 0.000 0.533 25 R N 0.391 120.947 120.500 0.094 0.000 2.445 25 R HA 0.430 4.770 4.340 -0.000 0.000 0.308 25 R C -2.228 174.110 176.300 0.064 0.000 0.961 25 R CA -1.440 54.702 56.100 0.071 0.000 0.862 25 R CB 1.544 31.884 30.300 0.066 0.000 1.144 25 R HN 0.390 nan 8.270 nan 0.000 0.447 26 P HA 0.160 nan 4.420 nan 0.000 0.276 26 P C -1.065 176.259 177.300 0.039 0.000 1.243 26 P CA -0.360 62.762 63.100 0.037 0.000 0.768 26 P CB 1.489 33.203 31.700 0.022 0.000 0.856 27 A N 6.508 129.355 122.820 0.045 0.000 2.440 27 A HA 0.445 4.765 4.320 -0.000 0.000 0.251 27 A C -1.531 176.071 177.584 0.030 0.000 1.089 27 A CA -1.052 51.019 52.037 0.057 0.000 0.779 27 A CB -0.838 18.201 19.000 0.064 0.000 1.022 27 A HN 0.506 nan 8.150 nan 0.000 0.492 28 P HA 0.368 nan 4.420 nan 0.000 0.269 28 P C -0.652 176.624 177.300 -0.040 0.000 1.215 28 P CA 0.037 63.111 63.100 -0.043 0.000 0.780 28 P CB 1.106 32.760 31.700 -0.077 0.000 0.898 29 A N 1.405 124.172 122.820 -0.089 0.000 2.943 29 A HA 0.674 4.994 4.320 -0.000 0.000 0.327 29 A C 0.029 177.545 177.584 -0.114 0.000 1.141 29 A CA 0.081 52.078 52.037 -0.066 0.000 0.773 29 A CB 0.373 19.348 19.000 -0.041 0.000 1.143 29 A HN 0.813 nan 8.150 nan 0.000 0.463 30 G N 1.123 109.824 108.800 -0.165 0.000 2.427 30 G HA2 0.699 4.658 3.960 -0.000 0.000 0.306 30 G HA3 0.699 4.658 3.960 -0.000 0.000 0.306 30 G C -3.154 171.607 174.900 -0.231 0.000 1.280 30 G CA -0.439 44.545 45.100 -0.195 0.000 0.837 30 G HN 0.499 nan 8.290 nan 0.000 0.482 31 P HA 0.632 nan 4.420 nan 0.000 0.293 31 P C -1.691 175.502 177.300 -0.177 0.000 1.300 31 P CA -0.248 62.780 63.100 -0.120 0.000 0.792 31 P CB 1.121 32.795 31.700 -0.044 0.000 0.925 32 F N 0.956 120.951 119.950 0.075 0.000 2.408 32 F HA 0.225 4.752 4.527 -0.000 0.000 0.344 32 F C 1.344 177.218 175.800 0.123 0.000 1.112 32 F CA -0.822 57.249 58.000 0.117 0.000 1.096 32 F CB 1.313 40.391 39.000 0.131 0.000 1.129 32 F HN 0.397 nan 8.300 nan 0.000 0.486 33 E N 6.088 126.491 120.200 0.338 0.000 2.465 33 E HA 0.043 4.393 4.350 -0.000 0.000 0.260 33 E C -2.180 174.558 176.600 0.230 0.000 0.980 33 E CA -1.552 54.981 56.400 0.221 0.000 0.927 33 E CB 0.475 30.282 29.700 0.178 0.000 0.934 33 E HN 0.181 nan 8.360 nan 0.000 0.459 34 P HA -0.180 nan 4.420 nan 0.000 0.264 34 P C 0.477 177.910 177.300 0.221 0.000 1.183 34 P CA 0.156 63.377 63.100 0.203 0.000 0.763 34 P CB 0.395 32.184 31.700 0.149 0.000 0.807 35 W N 3.954 125.302 121.300 0.079 0.000 2.302 35 W HA -0.198 4.462 4.660 -0.000 0.000 0.320 35 W C 1.004 177.567 176.519 0.074 0.000 1.241 35 W CA 1.775 59.167 57.345 0.079 0.000 1.264 35 W CB -0.122 29.386 29.460 0.080 0.000 1.154 35 W HN 0.472 nan 8.180 nan 0.000 0.483 36 E N -0.002 120.343 120.200 0.242 0.000 2.445 36 E HA 0.167 4.517 4.350 -0.000 0.000 0.189 36 E C 0.465 177.096 176.600 0.052 0.000 1.069 36 E CA -0.243 56.230 56.400 0.122 0.000 0.871 36 E CB 0.056 29.857 29.700 0.168 0.000 0.991 36 E HN 0.028 nan 8.360 nan 0.000 0.481 37 A N 2.551 125.395 122.820 0.041 0.000 2.322 37 A HA 0.356 4.676 4.320 -0.000 0.000 0.269 37 A C -2.333 175.245 177.584 -0.010 0.000 1.094 37 A CA -1.445 50.609 52.037 0.028 0.000 0.807 37 A CB 0.098 19.127 19.000 0.048 0.000 1.047 37 A HN -0.110 nan 8.150 nan 0.000 0.487 38 P HA 0.183 nan 4.420 nan 0.000 0.264 38 P C -2.416 174.865 177.300 -0.031 0.000 1.183 38 P CA -0.347 62.740 63.100 -0.020 0.000 0.763 38 P CB -0.196 31.500 31.700 -0.006 0.000 0.807 39 P HA 0.093 nan 4.420 nan 0.000 0.269 39 P C -0.287 176.994 177.300 -0.030 0.000 1.209 39 P CA 0.237 63.298 63.100 -0.065 0.000 0.776 39 P CB 0.389 32.032 31.700 -0.096 0.000 0.876 40 T N -0.787 113.756 114.554 -0.017 0.000 2.901 40 T HA 0.330 4.680 4.350 -0.000 0.000 0.293 40 T C 0.820 175.529 174.700 0.016 0.000 1.084 40 T CA -0.738 61.367 62.100 0.009 0.000 1.008 40 T CB 0.609 69.494 68.868 0.029 0.000 1.170 40 T HN -0.058 nan 8.240 nan 0.000 0.509 41 L N 0.301 121.547 121.223 0.038 0.000 2.079 41 L HA 0.043 4.383 4.340 -0.000 0.000 0.210 41 L C 2.492 179.398 176.870 0.060 0.000 1.081 41 L CA 1.715 56.592 54.840 0.062 0.000 0.752 41 L CB -0.661 41.443 42.059 0.076 0.000 0.896 41 L HN 0.647 nan 8.230 nan 0.000 0.433 42 R N -1.510 119.029 120.500 0.066 0.000 2.419 42 R HA 0.328 4.668 4.340 -0.000 0.000 0.235 42 R C 0.775 177.161 176.300 0.143 0.000 0.899 42 R CA 0.444 56.604 56.100 0.099 0.000 1.048 42 R CB -0.385 30.002 30.300 0.143 0.000 1.182 42 R HN 0.251 nan 8.270 nan 0.000 0.544 43 G N 1.139 110.000 108.800 0.102 0.000 2.442 43 G HA2 0.324 4.284 3.960 -0.000 0.000 0.249 43 G HA3 0.324 4.284 3.960 -0.000 0.000 0.249 43 G C -0.795 174.188 174.900 0.139 0.000 1.263 43 G CA -0.183 45.021 45.100 0.174 0.000 0.846 43 G HN -0.008 nan 8.290 nan 0.000 0.555 44 F N 0.474 120.504 119.950 0.133 0.000 2.443 44 F HA 0.385 4.912 4.527 -0.000 0.000 0.335 44 F C 1.352 177.355 175.800 0.338 0.000 1.104 44 F CA -0.780 57.354 58.000 0.223 0.000 1.013 44 F CB 2.681 41.847 39.000 0.276 0.000 1.136 44 F HN 0.398 nan 8.300 nan 0.000 0.470 45 K N 1.576 122.195 120.400 0.365 0.000 2.361 45 K HA 0.228 4.547 4.320 -0.000 0.000 0.194 45 K C 1.209 177.941 176.600 0.221 0.000 1.032 45 K CA 0.557 57.013 56.287 0.282 0.000 1.048 45 K CB 0.581 33.050 32.500 -0.052 0.000 0.842 45 K HN 1.014 nan 8.250 nan 0.000 0.526 46 G N 1.571 110.467 108.800 0.160 0.000 2.141 46 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.231 46 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.231 46 G C 0.415 175.302 174.900 -0.023 0.000 0.984 46 G CA -0.237 44.674 45.100 -0.315 0.000 0.660 46 G HN 0.454 nan 8.290 nan 0.000 0.525 47 G N 0.056 109.005 108.800 0.248 0.000 2.474 47 G HA2 0.562 4.522 3.960 -0.000 0.000 0.233 47 G HA3 0.562 4.522 3.960 -0.000 0.000 0.233 47 G C 0.534 175.521 174.900 0.144 0.000 1.278 47 G CA 1.519 46.796 45.100 0.294 0.000 0.861 47 G HN 1.632 nan 8.290 nan 0.000 0.567 48 T N -0.769 113.862 114.554 0.128 0.000 2.864 48 T HA 0.474 4.824 4.350 -0.000 0.000 0.289 48 T C 1.277 176.032 174.700 0.092 0.000 1.082 48 T CA -0.969 61.188 62.100 0.095 0.000 1.009 48 T CB 1.353 70.305 68.868 0.141 0.000 1.234 48 T HN 0.175 nan 8.240 nan 0.000 0.526 49 L N -0.895 120.311 121.223 -0.027 0.000 2.341 49 L HA 0.170 4.510 4.340 -0.000 0.000 0.214 49 L C 2.155 179.046 176.870 0.034 0.000 1.115 49 L CA 0.599 55.398 54.840 -0.068 0.000 0.820 49 L CB -0.337 41.590 42.059 -0.219 0.000 0.944 49 L HN 0.727 nan 8.230 nan 0.000 0.452 50 W N 0.297 121.652 121.300 0.091 0.000 2.363 50 W HA -0.123 4.537 4.660 -0.000 0.000 0.296 50 W C 2.471 179.073 176.519 0.138 0.000 1.212 50 W CA 0.776 58.188 57.345 0.111 0.000 1.260 50 W CB -0.474 29.009 29.460 0.039 0.000 1.131 50 W HN 0.130 nan 8.180 nan 0.000 0.530 51 G N -0.041 108.980 108.800 0.369 0.000 2.402 51 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 51 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 51 G C 1.416 176.593 174.900 0.462 0.000 1.162 51 G CA 1.343 46.698 45.100 0.424 0.000 0.777 51 G HN 0.123 nan 8.290 nan 0.000 0.539 52 V N 1.627 121.772 119.914 0.384 0.000 2.343 52 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 52 V C 3.333 179.556 176.094 0.215 0.000 1.051 52 V CA 2.019 64.530 62.300 0.352 0.000 1.036 52 V CB -0.850 31.048 31.823 0.125 0.000 0.654 52 V HN 0.468 nan 8.190 nan 0.000 0.451 53 A N -0.591 122.334 122.820 0.174 0.000 1.933 53 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 53 A C 2.180 179.832 177.584 0.112 0.000 1.175 53 A CA 1.933 54.036 52.037 0.110 0.000 0.628 53 A CB -0.475 18.641 19.000 0.194 0.000 0.814 53 A HN 0.622 nan 8.150 nan 0.000 0.444 54 E N -0.593 119.712 120.200 0.176 0.000 2.204 54 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 54 E C 0.880 177.444 176.600 -0.060 0.000 0.989 54 E CA 0.683 57.133 56.400 0.083 0.000 0.824 54 E CB 0.069 29.858 29.700 0.148 0.000 0.756 54 E HN 0.261 nan 8.360 nan 0.000 0.477 55 K N 0.613 120.994 120.400 -0.031 0.000 2.446 55 K HA 0.043 4.363 4.320 -0.000 0.000 0.203 55 K C 1.456 178.120 176.600 0.108 0.000 1.027 55 K CA -0.063 56.184 56.287 -0.067 0.000 1.166 55 K CB 0.305 32.769 32.500 -0.060 0.000 0.869 55 K HN 0.083 nan 8.250 nan 0.000 0.504 56 L N 2.766 124.000 121.223 0.018 0.000 2.046 56 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 56 L C -1.018 175.798 176.870 -0.089 0.000 1.077 56 L CA 1.973 56.778 54.840 -0.058 0.000 0.747 56 L CB -0.980 40.980 42.059 -0.165 0.000 0.896 56 L HN 0.047 nan 8.230 nan 0.000 0.432 57 P HA -0.266 nan 4.420 nan 0.000 0.218 57 P C 1.460 178.753 177.300 -0.012 0.000 1.148 57 P CA 1.605 64.660 63.100 -0.075 0.000 0.822 57 P CB -0.337 31.328 31.700 -0.057 0.000 0.784 58 Y N 1.151 121.427 120.300 -0.040 0.000 2.200 58 Y HA -0.122 4.428 4.550 -0.000 0.000 0.290 58 Y C 2.343 178.225 175.900 -0.029 0.000 1.137 58 Y CA 1.373 59.492 58.100 0.032 0.000 1.163 58 Y CB -1.072 37.482 38.460 0.156 0.000 0.988 58 Y HN -0.252 nan 8.280 nan 0.000 0.518 59 L N -0.528 120.630 121.223 -0.109 0.000 2.109 59 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 59 L C 2.373 179.066 176.870 -0.295 0.000 1.086 59 L CA 0.945 55.596 54.840 -0.315 0.000 0.760 59 L CB -0.546 41.370 42.059 -0.239 0.000 0.910 59 L HN 0.274 nan 8.230 nan 0.000 0.437 60 L N -0.224 120.882 121.223 -0.194 0.000 2.093 60 L HA -0.217 4.122 4.340 -0.000 0.000 0.208 60 L C 2.168 178.962 176.870 -0.126 0.000 1.085 60 L CA 1.302 56.059 54.840 -0.139 0.000 0.755 60 L CB -0.438 41.559 42.059 -0.104 0.000 0.904 60 L HN 0.294 nan 8.230 nan 0.000 0.435 61 D N -0.014 120.290 120.400 -0.161 0.000 2.178 61 D HA -0.207 4.433 4.640 -0.000 0.000 0.202 61 D C 2.028 178.227 176.300 -0.169 0.000 0.974 61 D CA 0.684 54.600 54.000 -0.140 0.000 0.841 61 D CB 0.165 40.888 40.800 -0.129 0.000 0.953 61 D HN 0.094 nan 8.370 nan 0.000 0.478 62 L N -0.610 120.449 121.223 -0.274 0.000 2.240 62 L HA 0.247 4.587 4.340 -0.000 0.000 0.211 62 L C 1.733 178.637 176.870 0.056 0.000 1.106 62 L CA 1.633 56.365 54.840 -0.181 0.000 0.793 62 L CB -0.039 41.831 42.059 -0.315 0.000 0.927 62 L HN 0.318 nan 8.230 nan 0.000 0.446 63 G N -1.776 107.031 108.800 0.012 0.000 2.168 63 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.197 63 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.197 63 G C 0.215 175.194 174.900 0.131 0.000 0.997 63 G CA -0.021 45.164 45.100 0.143 0.000 0.658 63 G HN 0.165 nan 8.290 nan 0.000 0.513 64 V N 0.787 120.548 119.914 -0.256 0.000 2.644 64 V HA 0.163 4.283 4.120 -0.000 0.000 0.305 64 V C 1.341 177.277 176.094 -0.263 0.000 1.053 64 V CA 1.680 63.627 62.300 -0.588 0.000 1.186 64 V CB 1.065 32.539 31.823 -0.581 0.000 0.895 64 V HN 0.545 nan 8.190 nan 0.000 0.490 65 E N 2.562 122.623 120.200 -0.232 0.000 2.485 65 E HA 0.503 4.853 4.350 -0.000 0.000 0.213 65 E C 0.267 176.728 176.600 -0.231 0.000 0.923 65 E CA 0.500 56.820 56.400 -0.134 0.000 1.054 65 E CB 1.160 30.857 29.700 -0.005 0.000 1.077 65 E HN 0.804 nan 8.360 nan 0.000 0.509 66 A N 1.230 123.838 122.820 -0.354 0.000 2.566 66 A HA 0.558 4.878 4.320 -0.000 0.000 0.297 66 A C -1.414 176.037 177.584 -0.222 0.000 1.059 66 A CA -0.645 51.144 52.037 -0.413 0.000 0.691 66 A CB 0.977 19.444 19.000 -0.887 0.000 1.282 66 A HN 0.078 nan 8.150 nan 0.000 0.401 67 I N 2.616 123.163 120.570 -0.038 0.000 2.354 67 I HA 0.283 4.453 4.170 -0.000 0.000 0.292 67 I C -0.935 175.354 176.117 0.287 0.000 0.989 67 I CA -0.672 60.690 61.300 0.102 0.000 1.188 67 I CB 1.474 39.466 38.000 -0.013 0.000 1.342 67 I HN 0.716 nan 8.210 nan 0.000 0.457 68 Y N 8.143 128.585 120.300 0.235 0.000 2.353 68 Y HA 0.567 5.116 4.550 -0.000 0.000 0.340 68 Y C -1.288 174.625 175.900 0.023 0.000 0.972 68 Y CA -1.356 56.858 58.100 0.188 0.000 1.157 68 Y CB 0.655 39.247 38.460 0.220 0.000 1.157 68 Y HN 0.387 nan 8.280 nan 0.000 0.495 69 L N 6.748 128.017 121.223 0.076 0.000 2.295 69 L HA 0.377 4.717 4.340 -0.000 0.000 0.285 69 L C 0.378 177.036 176.870 -0.355 0.000 1.035 69 L CA -0.691 53.996 54.840 -0.255 0.000 0.806 69 L CB 0.989 42.906 42.059 -0.238 0.000 1.214 69 L HN 0.649 nan 8.230 nan 0.000 0.426 70 N N 2.869 121.240 118.700 -0.549 0.000 2.371 70 N HA 0.169 4.908 4.740 -0.000 0.000 0.243 70 N C -2.371 172.774 175.510 -0.609 0.000 1.287 70 N CA -1.127 51.572 53.050 -0.586 0.000 0.911 70 N CB 0.334 38.388 38.487 -0.722 0.000 1.142 70 N HN 0.267 nan 8.380 nan 0.000 0.451 71 P HA -0.111 nan 4.420 nan 0.000 0.259 71 P C 0.731 177.616 177.300 -0.690 0.000 1.155 71 P CA 0.419 63.063 63.100 -0.759 0.000 0.759 71 P CB 0.375 31.553 31.700 -0.870 0.000 0.753 72 V N 0.564 119.998 119.914 -0.799 0.000 3.477 72 V HA 0.303 4.422 4.120 -0.000 0.000 0.297 72 V C 0.214 176.040 176.094 -0.447 0.000 1.433 72 V CA 0.110 62.047 62.300 -0.605 0.000 1.052 72 V CB -0.834 30.638 31.823 -0.585 0.000 0.895 72 V HN 0.053 nan 8.190 nan 0.000 0.438 73 F N 2.322 122.098 119.950 -0.290 0.000 2.380 73 F HA 0.768 5.295 4.527 -0.000 0.000 0.325 73 F C 1.297 177.014 175.800 -0.137 0.000 1.136 73 F CA -1.077 56.800 58.000 -0.206 0.000 1.171 73 F CB 0.378 39.263 39.000 -0.192 0.000 1.230 73 F HN 0.165 nan 8.300 nan 0.000 0.554 74 A N 1.813 124.730 122.820 0.160 0.000 2.598 74 A HA 0.352 4.672 4.320 -0.000 0.000 0.239 74 A C 0.418 178.047 177.584 0.075 0.000 1.032 74 A CA 0.791 52.890 52.037 0.104 0.000 0.760 74 A CB -0.383 18.692 19.000 0.125 0.000 0.946 74 A HN 0.738 nan 8.150 nan 0.000 0.512 75 S N 0.034 115.776 115.700 0.070 0.000 2.588 75 S HA 0.594 5.064 4.470 -0.000 0.000 0.269 75 S C 0.673 175.347 174.600 0.122 0.000 1.157 75 S CA 0.196 58.443 58.200 0.077 0.000 0.824 75 S CB 1.032 64.232 63.200 0.000 0.000 1.126 75 S HN 1.451 nan 8.310 nan 0.000 0.464 76 T N -0.061 114.586 114.554 0.156 0.000 3.040 76 T HA 0.565 4.915 4.350 -0.000 0.000 0.250 76 T C 0.545 175.417 174.700 0.287 0.000 1.058 76 T CA 0.399 62.615 62.100 0.192 0.000 0.988 76 T CB 0.077 69.050 68.868 0.176 0.000 0.993 76 T HN 0.868 nan 8.240 nan 0.000 0.519 77 A N 2.488 125.370 122.820 0.102 0.000 2.306 77 A HA 0.579 4.898 4.320 -0.000 0.000 0.314 77 A C 1.183 178.519 177.584 -0.413 0.000 1.164 77 A CA -0.734 51.152 52.037 -0.251 0.000 0.822 77 A CB 0.689 19.107 19.000 -0.969 0.000 1.130 77 A HN 0.341 nan 8.150 nan 0.000 0.496 78 N N 1.411 119.643 118.700 -0.780 0.000 2.289 78 N HA -0.228 4.511 4.740 -0.000 0.000 0.184 78 N C 0.915 176.139 175.510 -0.477 0.000 1.016 78 N CA 2.340 54.736 53.050 -1.091 0.000 0.872 78 N CB -0.775 37.081 38.487 -1.051 0.000 0.973 78 N HN 0.909 nan 8.380 nan 0.000 0.433 79 H N -1.554 117.395 119.070 -0.201 0.000 2.551 79 H HA 0.394 4.950 4.556 -0.000 0.000 0.266 79 H C 0.197 175.246 175.328 -0.465 0.000 0.964 79 H CA -0.035 55.878 56.048 -0.225 0.000 1.180 79 H CB 0.007 29.903 29.762 0.223 0.000 1.408 79 H HN 0.024 nan 8.280 nan 0.000 0.563 80 R N -1.260 118.975 120.500 -0.443 0.000 3.878 80 R HA -0.244 4.095 4.340 -0.000 0.000 0.330 80 R C -0.474 175.652 176.300 -0.290 0.000 1.186 80 R CA 1.056 56.945 56.100 -0.352 0.000 0.885 80 R CB -2.701 27.359 30.300 -0.400 0.000 1.377 80 R HN 0.442 nan 8.270 nan 0.000 0.523 81 Y N -0.255 120.089 120.300 0.074 0.000 2.490 81 Y HA 0.084 4.634 4.550 -0.000 0.000 0.281 81 Y C 1.134 177.153 175.900 0.199 0.000 1.174 81 Y CA 0.685 58.829 58.100 0.074 0.000 1.295 81 Y CB 0.312 38.783 38.460 0.018 0.000 1.062 81 Y HN 0.250 nan 8.280 nan 0.000 0.522 82 H N -0.262 118.929 119.070 0.201 0.000 2.556 82 H HA 0.204 4.760 4.556 -0.000 0.000 0.240 82 H C 0.031 175.394 175.328 0.057 0.000 1.543 82 H CA -0.686 55.453 56.048 0.151 0.000 1.287 82 H CB 0.161 30.001 29.762 0.129 0.000 1.529 82 H HN -0.041 nan 8.280 nan 0.000 0.553 83 T N 1.494 116.106 114.554 0.097 0.000 2.902 83 T HA -0.021 4.328 4.350 -0.000 0.000 0.301 83 T C 1.444 176.182 174.700 0.065 0.000 1.012 83 T CA -0.148 61.894 62.100 -0.096 0.000 1.151 83 T CB 1.614 70.111 68.868 -0.618 0.000 0.946 83 T HN 0.299 nan 8.240 nan 0.000 0.542 84 V N 1.136 121.125 119.914 0.125 0.000 3.048 84 V HA 0.191 4.310 4.120 -0.000 0.000 0.241 84 V C 0.468 176.817 176.094 0.425 0.000 1.129 84 V CA 0.537 63.013 62.300 0.293 0.000 1.128 84 V CB 0.292 32.230 31.823 0.192 0.000 0.849 84 V HN 0.880 nan 8.190 nan 0.000 0.475 85 D N -1.737 118.831 120.400 0.280 0.000 2.470 85 D HA 0.211 4.851 4.640 -0.000 0.000 0.233 85 D C -0.119 176.328 176.300 0.245 0.000 1.372 85 D CA -0.485 53.749 54.000 0.391 0.000 0.994 85 D CB 0.874 41.845 40.800 0.285 0.000 1.377 85 D HN 0.160 nan 8.370 nan 0.000 0.586 86 Y N 1.846 122.341 120.300 0.326 0.000 2.639 86 Y HA 0.043 4.592 4.550 -0.000 0.000 0.297 86 Y C 1.388 176.948 175.900 -0.567 0.000 1.151 86 Y CA 0.596 58.581 58.100 -0.192 0.000 1.335 86 Y CB -0.044 38.371 38.460 -0.075 0.000 0.994 86 Y HN 0.370 nan 8.280 nan 0.000 0.548 87 F N -0.939 119.102 119.950 0.151 0.000 2.695 87 F HA 0.187 4.713 4.527 -0.000 0.000 0.303 87 F C 0.484 176.424 175.800 0.234 0.000 1.091 87 F CA 0.050 58.104 58.000 0.090 0.000 1.300 87 F CB 0.402 39.354 39.000 -0.080 0.000 1.071 87 F HN -0.150 nan 8.300 nan 0.000 0.578 88 Q N 0.641 120.644 119.800 0.338 0.000 2.323 88 Q HA 0.352 4.691 4.340 -0.000 0.000 0.271 88 Q C -0.563 175.610 176.000 0.288 0.000 1.048 88 Q CA -0.548 55.447 55.803 0.320 0.000 0.792 88 Q CB 3.096 31.969 28.738 0.224 0.000 1.280 88 Q HN -0.191 nan 8.270 nan 0.000 0.441 89 V N 2.047 122.112 119.914 0.252 0.000 2.740 89 V HA -0.051 4.069 4.120 -0.000 0.000 0.303 89 V C 0.483 176.630 176.094 0.088 0.000 1.054 89 V CA -0.035 62.339 62.300 0.123 0.000 1.106 89 V CB 0.767 32.585 31.823 -0.008 0.000 0.957 89 V HN 0.720 nan 8.190 nan 0.000 0.486 90 D N 5.402 125.827 120.400 0.041 0.000 2.571 90 D HA 0.014 4.654 4.640 -0.000 0.000 0.231 90 D C -1.559 174.773 176.300 0.054 0.000 1.133 90 D CA -0.565 53.463 54.000 0.047 0.000 0.862 90 D CB 1.160 41.973 40.800 0.022 0.000 1.179 90 D HN 0.303 nan 8.370 nan 0.000 0.474 91 P HA -0.125 nan 4.420 nan 0.000 0.215 91 P C 1.272 178.633 177.300 0.102 0.000 1.153 91 P CA 1.008 64.158 63.100 0.084 0.000 0.853 91 P CB 0.101 31.845 31.700 0.073 0.000 0.788 92 I N -1.470 119.167 120.570 0.111 0.000 2.454 92 I HA -0.184 3.986 4.170 -0.000 0.000 0.254 92 I C 1.927 178.121 176.117 0.129 0.000 1.156 92 I CA 1.203 62.602 61.300 0.166 0.000 1.433 92 I CB -0.511 37.630 38.000 0.234 0.000 1.082 92 I HN -0.060 nan 8.210 nan 0.000 0.432 93 L N 0.152 121.417 121.223 0.070 0.000 2.554 93 L HA 0.127 4.467 4.340 -0.000 0.000 0.226 93 L C 1.556 178.396 176.870 -0.050 0.000 1.137 93 L CA 0.760 55.603 54.840 0.005 0.000 0.863 93 L CB -0.157 41.863 42.059 -0.065 0.000 0.985 93 L HN 0.508 nan 8.230 nan 0.000 0.451 94 G N -0.909 107.904 108.800 0.022 0.000 2.192 94 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.193 94 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.193 94 G C 0.615 175.515 174.900 0.000 0.000 0.999 94 G CA -0.240 44.883 45.100 0.038 0.000 0.659 94 G HN 0.727 nan 8.290 nan 0.000 0.503 95 G N -0.097 108.704 108.800 0.002 0.000 2.796 95 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.226 95 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.226 95 G C 0.633 175.541 174.900 0.015 0.000 1.381 95 G CA 0.436 45.564 45.100 0.047 0.000 0.867 95 G HN 0.895 nan 8.290 nan 0.000 0.552 96 N N 0.505 119.274 118.700 0.115 0.000 2.137 96 N HA -0.103 4.637 4.740 -0.000 0.000 0.190 96 N C 2.043 177.671 175.510 0.198 0.000 1.017 96 N CA 1.805 54.966 53.050 0.186 0.000 0.859 96 N CB -0.230 38.435 38.487 0.297 0.000 1.002 96 N HN 0.631 nan 8.380 nan 0.000 0.428 97 E N 0.782 121.067 120.200 0.141 0.000 2.204 97 E HA -0.059 4.290 4.350 -0.000 0.000 0.195 97 E C 1.829 178.294 176.600 -0.225 0.000 0.990 97 E CA 0.692 57.158 56.400 0.110 0.000 0.821 97 E CB -0.300 29.533 29.700 0.222 0.000 0.750 97 E HN 0.381 nan 8.360 nan 0.000 0.477 98 A N 0.931 123.394 122.820 -0.596 0.000 1.930 98 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 98 A C 2.210 179.473 177.584 -0.536 0.000 1.175 98 A CA 0.999 52.259 52.037 -1.295 0.000 0.627 98 A CB -0.418 17.799 19.000 -1.305 0.000 0.815 98 A HN 0.243 nan 8.150 nan 0.000 0.443 99 L N -0.295 120.794 121.223 -0.224 0.000 2.072 99 L HA -0.022 4.317 4.340 -0.000 0.000 0.205 99 L C 2.373 179.307 176.870 0.108 0.000 1.079 99 L CA 2.303 57.110 54.840 -0.055 0.000 0.752 99 L CB -0.634 41.421 42.059 -0.007 0.000 0.906 99 L HN 0.392 nan 8.230 nan 0.000 0.436 100 R N -1.274 119.378 120.500 0.253 0.000 2.091 100 R HA -0.268 4.071 4.340 -0.000 0.000 0.238 100 R C 2.444 178.792 176.300 0.079 0.000 1.136 100 R CA 2.052 58.264 56.100 0.185 0.000 0.959 100 R CB -0.726 29.680 30.300 0.177 0.000 0.856 100 R HN 0.640 nan 8.270 nan 0.000 0.437 101 H N -0.424 118.636 119.070 -0.017 0.000 2.357 101 H HA -0.079 4.477 4.556 -0.000 0.000 0.301 101 H C 1.669 176.999 175.328 0.003 0.000 1.082 101 H CA 1.839 57.912 56.048 0.042 0.000 1.342 101 H CB -0.329 29.538 29.762 0.175 0.000 1.389 101 H HN 0.244 nan 8.280 nan 0.000 0.511 102 L N 0.094 121.243 121.223 -0.123 0.000 2.046 102 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 102 L C 2.092 178.819 176.870 -0.237 0.000 1.077 102 L CA 1.533 56.262 54.840 -0.186 0.000 0.747 102 L CB -0.721 41.260 42.059 -0.130 0.000 0.896 102 L HN 0.387 nan 8.230 nan 0.000 0.432 103 L N -0.755 120.333 121.223 -0.226 0.000 2.017 103 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 103 L C 2.545 179.157 176.870 -0.431 0.000 1.073 103 L CA 1.591 56.179 54.840 -0.421 0.000 0.745 103 L CB -0.671 41.216 42.059 -0.288 0.000 0.894 103 L HN 0.350 nan 8.230 nan 0.000 0.432 104 E N -0.221 119.854 120.200 -0.209 0.000 2.023 104 E HA -0.226 4.123 4.350 -0.000 0.000 0.196 104 E C 2.215 178.763 176.600 -0.087 0.000 1.003 104 E CA 1.786 58.126 56.400 -0.100 0.000 0.809 104 E CB -0.172 29.504 29.700 -0.039 0.000 0.755 104 E HN 0.243 nan 8.360 nan 0.000 0.449 105 V N 1.256 121.072 119.914 -0.165 0.000 2.343 105 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 105 V C 2.288 178.406 176.094 0.040 0.000 1.051 105 V CA 1.824 64.084 62.300 -0.067 0.000 1.036 105 V CB -0.845 30.845 31.823 -0.221 0.000 0.654 105 V HN 0.338 nan 8.190 nan 0.000 0.451 106 A N -0.681 122.079 122.820 -0.101 0.000 1.877 106 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 106 A C 2.043 179.644 177.584 0.029 0.000 1.186 106 A CA 2.114 54.104 52.037 -0.080 0.000 0.620 106 A CB -0.959 17.927 19.000 -0.190 0.000 0.822 106 A HN 0.713 nan 8.150 nan 0.000 0.443 107 H N -0.867 118.167 119.070 -0.060 0.000 2.387 107 H HA -0.005 4.550 4.556 -0.000 0.000 0.299 107 H C 2.346 177.632 175.328 -0.071 0.000 1.090 107 H CA 0.586 56.582 56.048 -0.087 0.000 1.332 107 H CB 0.022 29.726 29.762 -0.096 0.000 1.386 107 H HN 0.567 nan 8.280 nan 0.000 0.516 108 A N 0.389 123.257 122.820 0.081 0.000 2.121 108 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 108 A C 0.838 178.288 177.584 -0.224 0.000 1.154 108 A CA 1.269 53.270 52.037 -0.059 0.000 0.679 108 A CB -0.284 18.677 19.000 -0.065 0.000 0.795 108 A HN 0.458 nan 8.150 nan 0.000 0.458 109 H N -1.913 117.138 119.070 -0.032 0.000 2.512 109 H HA 0.403 4.959 4.556 -0.000 0.000 0.276 109 H C 1.288 176.585 175.328 -0.050 0.000 1.126 109 H CA 0.133 56.156 56.048 -0.042 0.000 1.060 109 H CB 0.264 29.996 29.762 -0.050 0.000 1.646 109 H HN 0.462 nan 8.280 nan 0.000 0.571 110 G N 0.648 109.457 108.800 0.015 0.000 2.179 110 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 110 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 110 G C -0.152 174.718 174.900 -0.051 0.000 1.010 110 G CA 0.493 45.575 45.100 -0.031 0.000 0.736 110 G HN 0.269 nan 8.290 nan 0.000 0.513 111 V N 1.720 121.617 119.914 -0.028 0.000 2.398 111 V HA 0.599 4.719 4.120 -0.000 0.000 0.286 111 V C 0.698 176.738 176.094 -0.090 0.000 1.026 111 V CA -1.166 61.081 62.300 -0.087 0.000 0.868 111 V CB 1.535 33.304 31.823 -0.090 0.000 0.982 111 V HN 0.335 nan 8.190 nan 0.000 0.443 112 R N 2.816 123.179 120.500 -0.227 0.000 2.549 112 R HA 0.763 5.102 4.340 -0.000 0.000 0.267 112 R C -1.030 175.185 176.300 -0.142 0.000 1.045 112 R CA -0.544 55.383 56.100 -0.290 0.000 1.115 112 R CB 1.774 31.557 30.300 -0.863 0.000 1.121 112 R HN 0.469 nan 8.270 nan 0.000 0.543 113 V N 2.911 122.793 119.914 -0.054 0.000 2.668 113 V HA 0.448 4.567 4.120 -0.000 0.000 0.304 113 V C -0.112 176.026 176.094 0.074 0.000 1.071 113 V CA -0.898 61.401 62.300 -0.003 0.000 0.894 113 V CB 1.922 33.688 31.823 -0.095 0.000 1.008 113 V HN 0.714 nan 8.190 nan 0.000 0.425 114 I N 2.594 123.262 120.570 0.163 0.000 2.569 114 I HA 0.743 4.912 4.170 -0.000 0.000 0.296 114 I C -0.942 175.186 176.117 0.019 0.000 1.028 114 I CA -0.744 60.633 61.300 0.128 0.000 1.082 114 I CB 1.932 40.119 38.000 0.311 0.000 1.264 114 I HN 0.396 nan 8.210 nan 0.000 0.429 115 L N 3.371 124.477 121.223 -0.195 0.000 2.375 115 L HA 0.475 4.814 4.340 -0.000 0.000 0.268 115 L C -0.236 176.633 176.870 -0.003 0.000 1.058 115 L CA -0.644 54.039 54.840 -0.262 0.000 0.803 115 L CB 1.296 42.981 42.059 -0.623 0.000 1.212 115 L HN 0.651 nan 8.230 nan 0.000 0.451 116 D N 0.781 121.175 120.400 -0.009 0.000 2.249 116 D HA 0.342 4.981 4.640 -0.000 0.000 0.246 116 D C -0.319 176.051 176.300 0.116 0.000 1.114 116 D CA -0.103 53.951 54.000 0.090 0.000 0.854 116 D CB 1.897 42.687 40.800 -0.015 0.000 1.132 116 D HN 0.610 nan 8.370 nan 0.000 0.461 117 G N 2.362 111.227 108.800 0.108 0.000 2.437 117 G HA2 0.446 4.406 3.960 -0.000 0.000 0.315 117 G HA3 0.446 4.406 3.960 -0.000 0.000 0.315 117 G C -0.472 173.938 174.900 -0.816 0.000 1.210 117 G CA -0.532 44.287 45.100 -0.467 0.000 0.943 117 G HN 0.347 nan 8.290 nan 0.000 0.471 118 V N 3.278 122.775 119.914 -0.694 0.000 2.247 118 V HA 0.264 4.384 4.120 -0.000 0.000 0.262 118 V C -0.068 175.784 176.094 -0.404 0.000 1.096 118 V CA -0.515 61.533 62.300 -0.419 0.000 0.895 118 V CB -0.180 31.539 31.823 -0.173 0.000 1.141 118 V HN 0.669 nan 8.190 nan 0.000 0.478 119 F N 1.625 121.581 119.950 0.010 0.000 2.721 119 F HA 0.204 4.731 4.527 -0.000 0.000 0.301 119 F C 1.914 177.657 175.800 -0.095 0.000 1.096 119 F CA -0.265 57.702 58.000 -0.056 0.000 1.308 119 F CB -0.390 38.602 39.000 -0.013 0.000 1.086 119 F HN 0.476 nan 8.300 nan 0.000 0.587 120 N N -0.111 118.608 118.700 0.033 0.000 2.333 120 N HA -0.101 4.639 4.740 -0.000 0.000 0.178 120 N C 0.314 175.933 175.510 0.182 0.000 1.018 120 N CA 0.856 53.976 53.050 0.116 0.000 0.882 120 N CB 0.098 38.744 38.487 0.266 0.000 0.984 120 N HN 0.339 nan 8.380 nan 0.000 0.434 121 H N -3.627 115.550 119.070 0.179 0.000 2.990 121 H HA 0.474 5.029 4.556 -0.000 0.000 0.343 121 H C -0.848 174.617 175.328 0.229 0.000 1.270 121 H CA -0.601 55.575 56.048 0.213 0.000 1.118 121 H CB 0.833 30.719 29.762 0.207 0.000 1.861 121 H HN 0.065 nan 8.280 nan 0.000 0.544 122 T N -1.933 112.829 114.554 0.347 0.000 2.773 122 T HA 0.635 4.985 4.350 -0.000 0.000 0.278 122 T C 0.485 175.304 174.700 0.198 0.000 1.011 122 T CA -0.414 61.827 62.100 0.235 0.000 1.014 122 T CB 1.719 70.663 68.868 0.128 0.000 1.293 122 T HN 0.860 nan 8.240 nan 0.000 0.554 123 G N -0.647 108.247 108.800 0.158 0.000 2.522 123 G HA2 0.441 4.401 3.960 -0.000 0.000 0.304 123 G HA3 0.441 4.401 3.960 -0.000 0.000 0.304 123 G C 0.468 175.332 174.900 -0.060 0.000 1.210 123 G CA -0.967 44.169 45.100 0.060 0.000 0.960 123 G HN 0.783 nan 8.290 nan 0.000 0.497 124 R N -0.394 119.994 120.500 -0.186 0.000 2.235 124 R HA -0.018 4.322 4.340 -0.000 0.000 0.213 124 R C 2.377 178.762 176.300 0.141 0.000 1.059 124 R CA 0.793 56.727 56.100 -0.276 0.000 0.997 124 R CB 0.046 30.231 30.300 -0.192 0.000 0.884 124 R HN 0.536 nan 8.270 nan 0.000 0.462 125 G N 0.346 109.246 108.800 0.167 0.000 2.744 125 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.211 125 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.211 125 G C 0.205 175.261 174.900 0.259 0.000 1.143 125 G CA -0.407 44.816 45.100 0.205 0.000 0.788 125 G HN 0.109 nan 8.290 nan 0.000 0.534 126 F N 0.783 120.828 119.950 0.160 0.000 2.563 126 F HA 0.317 4.844 4.527 -0.000 0.000 0.363 126 F C 1.409 177.310 175.800 0.169 0.000 1.123 126 F CA -1.544 56.575 58.000 0.197 0.000 1.307 126 F CB 0.522 39.687 39.000 0.274 0.000 1.115 126 F HN 0.058 nan 8.300 nan 0.000 0.592 127 F N 4.545 124.057 119.950 -0.730 0.000 2.063 127 F HA -0.269 4.258 4.527 -0.000 0.000 0.298 127 F C 2.105 177.564 175.800 -0.569 0.000 1.109 127 F CA 2.463 60.083 58.000 -0.633 0.000 1.212 127 F CB -0.825 37.695 39.000 -0.800 0.000 0.973 127 F HN 0.527 nan 8.300 nan 0.000 0.480 128 A N -0.537 121.841 122.820 -0.737 0.000 1.908 128 A HA -0.242 4.077 4.320 -0.000 0.000 0.218 128 A C 2.186 179.767 177.584 -0.006 0.000 1.181 128 A CA 1.700 53.383 52.037 -0.590 0.000 0.627 128 A CB -1.605 17.106 19.000 -0.481 0.000 0.818 128 A HN 0.526 nan 8.150 nan 0.000 0.445 129 F N 0.240 120.262 119.950 0.120 0.000 2.186 129 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 129 F C 2.501 178.203 175.800 -0.162 0.000 1.090 129 F CA 1.767 59.687 58.000 -0.135 0.000 1.307 129 F CB -0.021 38.807 39.000 -0.287 0.000 1.019 129 F HN 0.187 nan 8.300 nan 0.000 0.489 130 Q N -0.707 119.043 119.800 -0.082 0.000 2.167 130 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 130 Q C 2.262 178.072 176.000 -0.317 0.000 0.970 130 Q CA 1.292 56.995 55.803 -0.168 0.000 0.855 130 Q CB -0.845 27.818 28.738 -0.126 0.000 0.911 130 Q HN 0.546 nan 8.270 nan 0.000 0.438 131 H N 0.196 118.949 119.070 -0.528 0.000 2.389 131 H HA 0.042 4.598 4.556 -0.000 0.000 0.299 131 H C 0.964 176.122 175.328 -0.283 0.000 1.081 131 H CA 0.529 56.278 56.048 -0.498 0.000 1.345 131 H CB 0.036 29.363 29.762 -0.726 0.000 1.393 131 H HN 0.112 nan 8.280 nan 0.000 0.520 135 N N 1.377 119.956 118.700 -0.200 0.000 2.205 135 N HA 0.161 4.900 4.740 -0.000 0.000 0.201 135 N C 1.244 176.600 175.510 -0.257 0.000 1.128 135 N CA 0.949 53.891 53.050 -0.181 0.000 0.867 135 N CB 2.064 40.475 38.487 -0.126 0.000 0.996 135 N HN 0.249 nan 8.380 nan 0.000 0.503 136 G N 2.662 111.253 108.800 -0.348 0.000 2.634 136 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.309 136 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.309 136 G C 0.760 175.107 174.900 -0.922 0.000 1.265 136 G CA 0.555 45.133 45.100 -0.870 0.000 0.998 136 G HN 0.216 nan 8.290 nan 0.000 0.551 137 E N 0.792 120.330 120.200 -1.104 0.000 2.209 137 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 137 E C 2.525 179.038 176.600 -0.144 0.000 0.993 137 E CA 1.392 57.551 56.400 -0.403 0.000 0.819 137 E CB -0.148 29.426 29.700 -0.210 0.000 0.745 137 E HN 0.675 nan 8.360 nan 0.000 0.477 138 Q N 0.070 119.771 119.800 -0.164 0.000 2.282 138 Q HA 0.063 4.403 4.340 -0.000 0.000 0.205 138 Q C 0.128 176.129 176.000 0.001 0.000 0.915 138 Q CA -0.147 55.619 55.803 -0.063 0.000 0.949 138 Q CB 0.401 29.099 28.738 -0.067 0.000 1.035 138 Q HN -0.115 nan 8.270 nan 0.000 0.484 139 S N 1.878 117.594 115.700 0.026 0.000 2.438 139 S HA 0.240 4.709 4.470 -0.000 0.000 0.293 139 S C -1.893 172.765 174.600 0.096 0.000 1.141 139 S CA -1.706 56.584 58.200 0.151 0.000 1.080 139 S CB 0.814 64.141 63.200 0.211 0.000 0.978 139 S HN 0.092 nan 8.310 nan 0.000 0.479 140 P HA 0.098 nan 4.420 nan 0.000 0.258 140 P C -0.519 176.588 177.300 -0.321 0.000 1.403 140 P CA 0.288 63.305 63.100 -0.138 0.000 0.826 140 P CB -0.316 31.268 31.700 -0.193 0.000 1.414 141 Y N -1.077 119.206 120.300 -0.028 0.000 2.588 141 Y HA 0.244 4.794 4.550 -0.000 0.000 0.247 141 Y C 2.524 178.564 175.900 0.234 0.000 1.157 141 Y CA 0.061 58.182 58.100 0.036 0.000 1.215 141 Y CB -0.232 38.062 38.460 -0.276 0.000 1.245 141 Y HN -0.120 nan 8.280 nan 0.000 0.534 142 R N 0.330 121.002 120.500 0.286 0.000 2.117 142 R HA -0.146 4.194 4.340 -0.000 0.000 0.243 142 R C 1.088 177.557 176.300 0.281 0.000 1.143 142 R CA 2.219 58.499 56.100 0.300 0.000 0.968 142 R CB -1.173 29.279 30.300 0.253 0.000 0.863 142 R HN 0.250 nan 8.270 nan 0.000 0.444 143 D N -1.775 118.759 120.400 0.224 0.000 2.344 143 D HA -0.020 4.620 4.640 -0.000 0.000 0.242 143 D C 0.372 176.693 176.300 0.035 0.000 1.159 143 D CA 0.058 54.118 54.000 0.101 0.000 0.859 143 D CB -0.188 40.624 40.800 0.020 0.000 0.925 143 D HN 0.685 nan 8.370 nan 0.000 0.510 144 W N -0.357 120.919 121.300 -0.041 0.000 3.114 144 W HA 0.114 4.774 4.660 -0.000 0.000 0.279 144 W C 0.175 176.314 176.519 -0.634 0.000 1.277 144 W CA 0.009 57.193 57.345 -0.269 0.000 1.630 144 W CB 0.350 29.706 29.460 -0.174 0.000 1.087 144 W HN -0.123 nan 8.180 nan 0.000 0.637 145 Y N -1.945 118.458 120.300 0.172 0.000 2.705 145 Y HA 0.335 4.885 4.550 -0.000 0.000 0.332 145 Y C 0.113 175.969 175.900 -0.074 0.000 1.157 145 Y CA -1.550 56.597 58.100 0.078 0.000 1.091 145 Y CB 0.674 39.267 38.460 0.222 0.000 1.301 145 Y HN -0.313 nan 8.280 nan 0.000 0.488 146 H N 1.186 120.468 119.070 0.352 0.000 2.702 146 H HA 0.342 4.898 4.556 -0.000 0.000 0.252 146 H C -0.949 174.507 175.328 0.214 0.000 1.493 146 H CA -0.191 55.990 56.048 0.222 0.000 1.273 146 H CB 0.124 30.001 29.762 0.192 0.000 1.537 146 H HN 0.187 nan 8.280 nan 0.000 0.547 147 V N 3.856 123.892 119.914 0.203 0.000 2.461 147 V HA 0.021 4.141 4.120 -0.000 0.000 0.275 147 V C 1.235 177.333 176.094 0.006 0.000 1.047 147 V CA -0.221 62.114 62.300 0.058 0.000 0.955 147 V CB 1.364 33.093 31.823 -0.158 0.000 0.988 147 V HN 0.629 nan 8.190 nan 0.000 0.471 148 K N 3.277 123.678 120.400 0.002 0.000 2.426 148 K HA 0.422 4.741 4.320 -0.000 0.000 0.193 148 K C 0.803 177.358 176.600 -0.076 0.000 1.028 148 K CA 0.580 56.859 56.287 -0.013 0.000 1.047 148 K CB 0.463 32.967 32.500 0.007 0.000 0.821 148 K HN 0.951 nan 8.250 nan 0.000 0.513 149 G N 0.419 109.090 108.800 -0.214 0.000 2.359 149 G HA2 0.129 4.089 3.960 -0.000 0.000 0.314 149 G HA3 0.129 4.089 3.960 -0.000 0.000 0.314 149 G C -1.816 172.840 174.900 -0.406 0.000 1.364 149 G CA -1.137 43.813 45.100 -0.251 0.000 0.978 149 G HN -0.016 nan 8.290 nan 0.000 0.615 150 F N 1.554 121.537 119.950 0.055 0.000 2.492 150 F HA 0.701 5.228 4.527 -0.000 0.000 0.327 150 F C -0.938 174.886 175.800 0.040 0.000 1.079 150 F CA -1.417 56.609 58.000 0.044 0.000 0.967 150 F CB 1.502 40.517 39.000 0.025 0.000 1.169 150 F HN 0.456 nan 8.300 nan 0.000 0.472 151 P HA 0.232 nan 4.420 nan 0.000 0.273 151 P C 0.543 177.962 177.300 0.197 0.000 1.250 151 P CA -0.359 62.900 63.100 0.265 0.000 0.793 151 P CB 1.152 32.954 31.700 0.169 0.000 1.011 152 L N -0.260 121.093 121.223 0.218 0.000 2.156 152 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 152 L C 0.961 177.981 176.870 0.250 0.000 1.095 152 L CA 0.729 55.699 54.840 0.216 0.000 0.770 152 L CB -0.677 41.478 42.059 0.159 0.000 0.914 152 L HN 0.551 nan 8.230 nan 0.000 0.439 153 K N -0.552 119.964 120.400 0.194 0.000 3.077 153 K HA -0.245 4.074 4.320 -0.000 0.000 0.264 153 K C 1.003 177.687 176.600 0.140 0.000 1.008 153 K CA 0.242 56.623 56.287 0.156 0.000 0.740 153 K CB -1.525 31.039 32.500 0.107 0.000 1.273 153 K HN 0.422 nan 8.250 nan 0.000 0.477 154 A N -0.255 122.669 122.820 0.174 0.000 2.172 154 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 154 A C 0.740 178.116 177.584 -0.346 0.000 1.154 154 A CA 0.997 53.078 52.037 0.073 0.000 0.701 154 A CB -0.217 18.815 19.000 0.053 0.000 0.789 154 A HN 0.459 nan 8.150 nan 0.000 0.465 155 Y N 0.664 121.058 120.300 0.156 0.000 2.774 155 Y HA 0.309 4.859 4.550 -0.000 0.000 0.305 155 Y C 0.899 176.834 175.900 0.058 0.000 1.067 155 Y CA -0.114 58.044 58.100 0.096 0.000 1.304 155 Y CB -0.048 38.465 38.460 0.089 0.000 1.209 155 Y HN 0.276 nan 8.280 nan 0.000 0.543 156 T N -4.637 109.972 114.554 0.091 0.000 2.887 156 T HA 0.676 5.026 4.350 -0.000 0.000 0.292 156 T C 1.000 175.668 174.700 -0.053 0.000 1.087 156 T CA -0.452 61.678 62.100 0.050 0.000 1.009 156 T CB 1.649 70.563 68.868 0.076 0.000 1.203 156 T HN 0.011 nan 8.240 nan 0.000 0.518 157 A N -0.074 122.665 122.820 -0.135 0.000 2.216 157 A HA 0.101 4.421 4.320 -0.000 0.000 0.214 157 A C 0.744 177.984 177.584 -0.572 0.000 1.160 157 A CA 0.590 52.420 52.037 -0.345 0.000 0.725 157 A CB -0.713 18.028 19.000 -0.433 0.000 0.784 157 A HN 0.831 nan 8.150 nan 0.000 0.472 158 H N 0.123 119.157 119.070 -0.060 0.000 2.448 158 H HA 0.246 4.802 4.556 -0.000 0.000 0.237 158 H C -2.846 172.401 175.328 -0.136 0.000 1.391 158 H CA -1.979 54.016 56.048 -0.089 0.000 1.477 158 H CB 0.250 29.978 29.762 -0.057 0.000 1.520 158 H HN 0.322 nan 8.280 nan 0.000 0.502 159 P HA -0.032 nan 4.420 nan 0.000 0.271 159 P C 0.638 177.730 177.300 -0.346 0.000 1.218 159 P CA -0.248 62.597 63.100 -0.424 0.000 0.780 159 P CB 1.549 32.693 31.700 -0.927 0.000 0.901 160 N N 1.822 120.404 118.700 -0.197 0.000 2.466 160 N HA 0.032 4.772 4.740 -0.000 0.000 0.251 160 N C -0.828 174.743 175.510 0.101 0.000 1.164 160 N CA -0.123 52.915 53.050 -0.020 0.000 0.888 160 N CB -0.548 37.968 38.487 0.048 0.000 1.177 160 N HN 0.423 nan 8.380 nan 0.000 0.498 161 Y N -2.687 117.641 120.300 0.046 0.000 2.677 161 Y HA 0.437 4.986 4.550 -0.000 0.000 0.334 161 Y C -0.728 175.239 175.900 0.112 0.000 1.196 161 Y CA -1.343 56.814 58.100 0.096 0.000 1.059 161 Y CB 0.367 38.919 38.460 0.153 0.000 1.315 161 Y HN -0.206 nan 8.280 nan 0.000 0.455 162 E N 1.198 121.604 120.200 0.343 0.000 2.338 162 E HA 0.628 4.977 4.350 -0.000 0.000 0.272 162 E C -0.834 175.962 176.600 0.326 0.000 1.029 162 E CA -0.194 56.342 56.400 0.227 0.000 0.872 162 E CB 1.137 30.933 29.700 0.160 0.000 1.015 162 E HN 0.790 nan 8.360 nan 0.000 0.417 163 A N 2.903 125.836 122.820 0.188 0.000 2.574 163 A HA 0.225 4.545 4.320 -0.000 0.000 0.297 163 A C -1.773 175.919 177.584 0.180 0.000 1.062 163 A CA -0.830 51.338 52.037 0.219 0.000 0.686 163 A CB 0.492 19.586 19.000 0.158 0.000 1.285 163 A HN 0.741 nan 8.150 nan 0.000 0.403 164 W N 2.946 124.245 121.300 -0.002 0.000 2.549 164 W HA 0.188 4.848 4.660 -0.000 0.000 0.343 164 W C -0.164 176.425 176.519 0.117 0.000 1.278 164 W CA 1.572 58.899 57.345 -0.030 0.000 1.277 164 W CB -0.206 28.993 29.460 -0.435 0.000 1.249 164 W HN 0.698 nan 8.180 nan 0.000 0.572 165 W N 4.132 125.047 121.300 -0.641 0.000 4.233 165 W HA -0.248 4.412 4.660 -0.000 0.000 0.328 165 W C 1.742 178.073 176.519 -0.314 0.000 1.212 165 W CA 1.718 58.691 57.345 -0.620 0.000 0.752 165 W CB -1.726 27.146 29.460 -0.981 0.000 2.277 165 W HN 1.237 nan 8.180 nan 0.000 1.465 166 G N -0.830 107.958 108.800 -0.020 0.000 2.189 166 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.267 166 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.267 166 G C 0.426 175.296 174.900 -0.049 0.000 0.975 166 G CA 0.167 45.235 45.100 -0.053 0.000 0.644 166 G HN 0.562 nan 8.290 nan 0.000 0.537 167 N N 1.435 120.143 118.700 0.014 0.000 2.420 167 N HA 0.232 4.972 4.740 -0.000 0.000 0.262 167 N C -0.235 175.261 175.510 -0.024 0.000 1.144 167 N CA -1.300 51.758 53.050 0.014 0.000 0.952 167 N CB 1.476 40.019 38.487 0.093 0.000 1.081 167 N HN 0.168 nan 8.380 nan 0.000 0.480 168 P HA -0.136 nan 4.420 nan 0.000 0.221 168 P C 0.335 177.601 177.300 -0.057 0.000 1.145 168 P CA 1.225 64.272 63.100 -0.088 0.000 0.795 168 P CB 0.397 32.025 31.700 -0.120 0.000 0.775 169 E N -0.666 119.469 120.200 -0.108 0.000 2.409 169 E HA -0.049 4.301 4.350 -0.000 0.000 0.198 169 E C 0.039 176.427 176.600 -0.354 0.000 1.024 169 E CA 0.498 56.746 56.400 -0.252 0.000 0.861 169 E CB -0.217 29.306 29.700 -0.296 0.000 0.788 169 E HN 0.294 nan 8.360 nan 0.000 0.521 170 L N 0.696 121.822 121.223 -0.161 0.000 2.556 170 L HA 0.301 4.641 4.340 -0.000 0.000 0.243 170 L C -2.609 174.311 176.870 0.084 0.000 1.331 170 L CA -1.845 52.955 54.840 -0.067 0.000 0.927 170 L CB 0.978 42.950 42.059 -0.146 0.000 1.219 170 L HN -0.288 nan 8.230 nan 0.000 0.490 171 P HA -0.027 nan 4.420 nan 0.000 0.262 171 P C -0.155 177.406 177.300 0.435 0.000 1.199 171 P CA -0.048 63.139 63.100 0.144 0.000 0.763 171 P CB 0.437 31.775 31.700 -0.602 0.000 0.790 172 K N 4.335 125.041 120.400 0.510 0.000 2.412 172 K HA 0.078 4.398 4.320 -0.000 0.000 0.284 172 K C -0.152 176.760 176.600 0.520 0.000 1.046 172 K CA -0.496 56.101 56.287 0.517 0.000 0.999 172 K CB 0.084 32.863 32.500 0.465 0.000 0.941 172 K HN 0.268 nan 8.250 nan 0.000 0.474 173 L N 4.257 125.673 121.223 0.322 0.000 2.461 173 L HA 0.045 4.385 4.340 -0.000 0.000 0.272 173 L C 0.408 177.243 176.870 -0.059 0.000 1.197 173 L CA 0.852 55.705 54.840 0.022 0.000 0.836 173 L CB 0.559 42.601 42.059 -0.028 0.000 1.105 173 L HN 0.543 nan 8.230 nan 0.000 0.477 174 K N 2.916 123.134 120.400 -0.303 0.000 2.229 174 K HA 0.217 4.537 4.320 -0.000 0.000 0.247 174 K C 0.614 177.012 176.600 -0.336 0.000 1.117 174 K CA -0.270 55.780 56.287 -0.394 0.000 1.036 174 K CB 0.387 32.566 32.500 -0.534 0.000 1.654 174 K HN 0.547 nan 8.250 nan 0.000 0.405 175 V N 3.015 122.765 119.914 -0.272 0.000 2.720 175 V HA -0.233 3.887 4.120 -0.000 0.000 0.256 175 V C 2.270 178.196 176.094 -0.280 0.000 1.082 175 V CA 1.779 63.862 62.300 -0.363 0.000 1.101 175 V CB -0.577 30.919 31.823 -0.545 0.000 0.693 175 V HN 0.773 nan 8.190 nan 0.000 0.479 176 E N 0.276 120.362 120.200 -0.190 0.000 2.153 176 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 176 E C 0.881 177.390 176.600 -0.151 0.000 0.988 176 E CA 0.953 57.277 56.400 -0.128 0.000 0.811 176 E CB -0.753 28.909 29.700 -0.064 0.000 0.746 176 E HN 0.503 nan 8.360 nan 0.000 0.466 177 T N 4.009 118.431 114.554 -0.219 0.000 2.829 177 T HA 0.061 4.411 4.350 -0.000 0.000 0.293 177 T C -1.828 172.717 174.700 -0.258 0.000 0.970 177 T CA -0.920 61.031 62.100 -0.248 0.000 1.168 177 T CB 1.237 69.885 68.868 -0.365 0.000 0.911 177 T HN 0.011 nan 8.240 nan 0.000 0.535 178 P HA -0.168 nan 4.420 nan 0.000 0.216 178 P C 1.416 178.628 177.300 -0.147 0.000 1.154 178 P CA 1.043 64.068 63.100 -0.125 0.000 0.865 178 P CB 0.093 31.748 31.700 -0.075 0.000 0.789 179 A N -1.043 121.655 122.820 -0.204 0.000 1.969 179 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 179 A C 2.252 179.608 177.584 -0.381 0.000 1.169 179 A CA 1.603 53.545 52.037 -0.158 0.000 0.635 179 A CB -1.533 17.448 19.000 -0.032 0.000 0.810 179 A HN 0.044 nan 8.150 nan 0.000 0.445 180 V N 0.053 119.493 119.914 -0.791 0.000 2.283 180 V HA -0.203 3.917 4.120 -0.000 0.000 0.243 180 V C 2.605 178.526 176.094 -0.288 0.000 1.039 180 V CA 2.038 63.794 62.300 -0.907 0.000 1.016 180 V CB -0.829 30.428 31.823 -0.944 0.000 0.650 180 V HN 0.701 nan 8.190 nan 0.000 0.449 181 R N 0.233 120.610 120.500 -0.205 0.000 2.105 181 R HA -0.224 4.116 4.340 -0.000 0.000 0.239 181 R C 2.358 178.684 176.300 0.043 0.000 1.135 181 R CA 1.886 57.982 56.100 -0.007 0.000 0.967 181 R CB -0.316 29.988 30.300 0.008 0.000 0.861 181 R HN 0.491 nan 8.270 nan 0.000 0.442 182 E N -0.150 120.062 120.200 0.019 0.000 2.150 182 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 182 E C 1.547 178.227 176.600 0.133 0.000 0.985 182 E CA 1.086 57.521 56.400 0.059 0.000 0.814 182 E CB -0.257 29.480 29.700 0.062 0.000 0.752 182 E HN 0.476 nan 8.360 nan 0.000 0.466 183 Y N 0.973 121.316 120.300 0.073 0.000 2.153 183 Y HA -0.121 4.429 4.550 -0.000 0.000 0.289 183 Y C 2.314 178.275 175.900 0.102 0.000 1.127 183 Y CA 1.571 59.800 58.100 0.214 0.000 1.131 183 Y CB -0.391 38.313 38.460 0.406 0.000 0.995 183 Y HN -0.061 nan 8.280 nan 0.000 0.505 184 L N -0.252 121.030 121.223 0.099 0.000 2.012 184 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 184 L C 2.399 179.093 176.870 -0.292 0.000 1.073 184 L CA 1.521 56.266 54.840 -0.158 0.000 0.748 184 L CB -0.789 41.254 42.059 -0.026 0.000 0.891 184 L HN 0.304 nan 8.230 nan 0.000 0.431 185 L N -0.542 120.583 121.223 -0.163 0.000 2.275 185 L HA -0.127 4.213 4.340 -0.000 0.000 0.215 185 L C 2.735 179.504 176.870 -0.169 0.000 1.119 185 L CA 0.734 55.437 54.840 -0.229 0.000 0.790 185 L CB -0.616 41.335 42.059 -0.181 0.000 0.919 185 L HN 0.235 nan 8.230 nan 0.000 0.443 186 A N -0.505 122.262 122.820 -0.087 0.000 1.970 186 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 186 A C 2.287 179.889 177.584 0.030 0.000 1.170 186 A CA 0.971 53.017 52.037 0.015 0.000 0.645 186 A CB -0.410 18.652 19.000 0.103 0.000 0.816 186 A HN 0.168 nan 8.150 nan 0.000 0.447 187 V N -0.063 119.749 119.914 -0.171 0.000 2.323 187 V HA -0.200 3.920 4.120 -0.000 0.000 0.244 187 V C 3.054 179.256 176.094 0.180 0.000 1.041 187 V CA 1.734 63.895 62.300 -0.231 0.000 1.025 187 V CB -1.240 30.364 31.823 -0.365 0.000 0.656 187 V HN 0.579 nan 8.190 nan 0.000 0.451 188 A N -0.327 122.447 122.820 -0.077 0.000 1.892 188 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 188 A C 2.310 180.054 177.584 0.268 0.000 1.188 188 A CA 2.351 54.340 52.037 -0.080 0.000 0.631 188 A CB -0.548 17.951 19.000 -0.836 0.000 0.822 188 A HN 0.616 nan 8.150 nan 0.000 0.447 189 E N -1.595 118.643 120.200 0.063 0.000 2.072 189 E HA -0.231 4.119 4.350 -0.000 0.000 0.190 189 E C 1.902 178.597 176.600 0.159 0.000 0.982 189 E CA 1.082 57.539 56.400 0.094 0.000 0.803 189 E CB -0.236 29.474 29.700 0.017 0.000 0.755 189 E HN 0.803 nan 8.360 nan 0.000 0.453 190 H N -0.565 118.538 119.070 0.056 0.000 2.289 190 H HA -0.195 4.361 4.556 -0.000 0.000 0.294 190 H C 1.517 176.797 175.328 -0.080 0.000 1.095 190 H CA 2.650 58.656 56.048 -0.069 0.000 1.256 190 H CB -0.511 29.125 29.762 -0.211 0.000 1.359 190 H HN 0.242 nan 8.280 nan 0.000 0.487 191 W N -0.205 121.184 121.300 0.149 0.000 2.467 191 W HA -0.025 4.635 4.660 -0.000 0.000 0.275 191 W C 2.178 178.743 176.519 0.077 0.000 1.239 191 W CA -0.019 57.365 57.345 0.064 0.000 1.266 191 W CB 0.086 29.634 29.460 0.146 0.000 1.112 191 W HN 0.229 nan 8.180 nan 0.000 0.576 192 I N 0.570 121.313 120.570 0.290 0.000 2.315 192 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 192 I C 2.134 178.335 176.117 0.139 0.000 1.117 192 I CA 1.557 62.971 61.300 0.190 0.000 1.404 192 I CB -1.221 36.902 38.000 0.205 0.000 1.071 192 I HN 0.093 nan 8.210 nan 0.000 0.419 193 R N -0.603 119.953 120.500 0.093 0.000 2.193 193 R HA -0.120 4.219 4.340 -0.000 0.000 0.213 193 R C 2.186 178.503 176.300 0.030 0.000 1.055 193 R CA 0.735 56.859 56.100 0.040 0.000 0.995 193 R CB -0.328 29.978 30.300 0.010 0.000 0.893 193 R HN 0.201 nan 8.270 nan 0.000 0.459 194 F N 0.141 120.012 119.950 -0.131 0.000 2.293 194 F HA -0.043 4.484 4.527 -0.000 0.000 0.300 194 F C 1.437 177.258 175.800 0.036 0.000 1.086 194 F CA 1.766 59.704 58.000 -0.103 0.000 1.375 194 F CB 0.367 39.299 39.000 -0.114 0.000 1.045 194 F HN 0.164 nan 8.300 nan 0.000 0.516 195 G N -0.671 108.244 108.800 0.192 0.000 2.672 195 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.197 195 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.197 195 G C -0.119 174.930 174.900 0.248 0.000 0.995 195 G CA -0.098 45.102 45.100 0.166 0.000 0.754 195 G HN 0.184 nan 8.290 nan 0.000 0.505 196 V N 2.113 122.170 119.914 0.237 0.000 2.872 196 V HA 0.191 4.310 4.120 -0.000 0.000 0.307 196 V C 0.943 177.094 176.094 0.095 0.000 1.072 196 V CA 0.995 63.363 62.300 0.112 0.000 1.148 196 V CB 1.274 33.091 31.823 -0.009 0.000 0.954 196 V HN 0.347 nan 8.190 nan 0.000 0.490 197 D N 2.552 123.009 120.400 0.095 0.000 2.349 197 D HA 0.302 4.942 4.640 -0.000 0.000 0.214 197 D C 0.585 177.066 176.300 0.302 0.000 1.063 197 D CA 0.860 54.951 54.000 0.152 0.000 0.847 197 D CB 1.173 41.978 40.800 0.009 0.000 0.933 197 D HN 0.751 nan 8.370 nan 0.000 0.513 198 G N 0.187 109.074 108.800 0.144 0.000 2.322 198 G HA2 0.327 4.287 3.960 -0.000 0.000 0.295 198 G HA3 0.327 4.287 3.960 -0.000 0.000 0.295 198 G C -2.289 172.594 174.900 -0.027 0.000 1.369 198 G CA -1.055 44.156 45.100 0.185 0.000 0.821 198 G HN 0.045 nan 8.290 nan 0.000 0.536 199 W N 0.145 121.521 121.300 0.126 0.000 2.883 199 W HA 0.723 5.383 4.660 -0.000 0.000 0.335 199 W C 0.108 176.536 176.519 -0.152 0.000 1.083 199 W CA -0.926 56.481 57.345 0.102 0.000 1.233 199 W CB 2.205 31.875 29.460 0.350 0.000 1.412 199 W HN 0.435 nan 8.180 nan 0.000 0.490 200 R N 4.394 124.950 120.500 0.093 0.000 2.246 200 R HA 0.434 4.774 4.340 -0.000 0.000 0.332 200 R C -1.305 174.909 176.300 -0.144 0.000 0.974 200 R CA -0.453 55.493 56.100 -0.256 0.000 0.837 200 R CB 0.366 30.363 30.300 -0.504 0.000 1.145 200 R HN 0.736 nan 8.270 nan 0.000 0.467 201 L N 3.640 124.657 121.223 -0.344 0.000 2.290 201 L HA 0.211 4.551 4.340 -0.000 0.000 0.284 201 L C 0.382 177.066 176.870 -0.309 0.000 1.078 201 L CA -0.556 54.069 54.840 -0.358 0.000 0.815 201 L CB 0.871 42.511 42.059 -0.700 0.000 1.162 201 L HN 0.477 nan 8.230 nan 0.000 0.435 202 D N 2.567 122.864 120.400 -0.172 0.000 2.348 202 D HA 0.195 4.834 4.640 -0.000 0.000 0.253 202 D C 0.483 176.738 176.300 -0.074 0.000 1.161 202 D CA -0.036 53.905 54.000 -0.097 0.000 0.876 202 D CB 0.996 41.757 40.800 -0.066 0.000 1.160 202 D HN 0.403 nan 8.370 nan 0.000 0.459 203 V N 2.844 122.731 119.914 -0.045 0.000 5.571 203 V HA -0.168 3.952 4.120 -0.000 0.000 0.179 203 V C -1.419 174.715 176.094 0.067 0.000 0.722 203 V CA 0.380 62.707 62.300 0.046 0.000 0.545 203 V CB -1.469 30.470 31.823 0.194 0.000 0.179 203 V HN 0.707 nan 8.190 nan 0.000 0.421 204 P HA -0.158 nan 4.420 nan 0.000 0.223 204 P C 1.386 178.825 177.300 0.232 0.000 1.144 204 P CA 1.884 64.942 63.100 -0.070 0.000 0.783 204 P CB -0.062 31.213 31.700 -0.709 0.000 0.771 205 N N 0.129 118.894 118.700 0.108 0.000 2.457 205 N HA -0.109 4.630 4.740 -0.000 0.000 0.180 205 N C 1.284 176.985 175.510 0.318 0.000 1.050 205 N CA 0.731 53.961 53.050 0.300 0.000 0.906 205 N CB -0.697 37.920 38.487 0.216 0.000 0.968 205 N HN 0.100 nan 8.380 nan 0.000 0.445 206 E N 0.834 121.227 120.200 0.320 0.000 2.265 206 E HA 0.046 4.395 4.350 -0.000 0.000 0.196 206 E C 0.434 177.198 176.600 0.275 0.000 0.996 206 E CA 0.417 57.006 56.400 0.315 0.000 0.832 206 E CB 0.165 30.105 29.700 0.401 0.000 0.756 206 E HN 0.530 nan 8.360 nan 0.000 0.491 207 I N 3.290 124.066 120.570 0.344 0.000 2.377 207 I HA 0.058 4.227 4.170 -0.000 0.000 0.282 207 I C -1.378 174.935 176.117 0.327 0.000 1.091 207 I CA -1.559 59.882 61.300 0.236 0.000 1.207 207 I CB 1.328 39.387 38.000 0.098 0.000 1.429 207 I HN -0.155 nan 8.210 nan 0.000 0.491 208 P HA -0.210 nan 4.420 nan 0.000 0.215 208 P C 0.482 177.908 177.300 0.210 0.000 1.157 208 P CA 1.123 64.336 63.100 0.189 0.000 0.874 208 P CB -0.017 31.746 31.700 0.105 0.000 0.790 209 D N 0.990 121.471 120.400 0.135 0.000 2.660 209 D HA -0.065 4.575 4.640 -0.000 0.000 0.253 209 D C -1.500 174.932 176.300 0.221 0.000 1.256 209 D CA -0.916 53.159 54.000 0.126 0.000 0.914 209 D CB 0.289 41.111 40.800 0.038 0.000 1.137 209 D HN 0.102 nan 8.370 nan 0.000 0.542 210 P HA -0.105 nan 4.420 nan 0.000 0.221 210 P C 1.282 178.728 177.300 0.244 0.000 1.150 210 P CA 1.261 64.567 63.100 0.343 0.000 0.800 210 P CB 0.017 31.886 31.700 0.282 0.000 0.787 211 T N -3.921 110.728 114.554 0.158 0.000 2.962 211 T HA -0.171 4.179 4.350 -0.000 0.000 0.270 211 T C 1.625 176.384 174.700 0.097 0.000 1.088 211 T CA 0.555 62.719 62.100 0.107 0.000 1.127 211 T CB -1.271 67.641 68.868 0.073 0.000 0.883 211 T HN -0.051 nan 8.240 nan 0.000 0.493 212 F N 0.942 120.840 119.950 -0.087 0.000 2.060 212 F HA 0.100 4.627 4.527 -0.000 0.000 0.295 212 F C 1.921 177.622 175.800 -0.165 0.000 1.120 212 F CA 0.699 58.549 58.000 -0.249 0.000 1.205 212 F CB -0.649 38.029 39.000 -0.537 0.000 0.986 212 F HN 0.160 nan 8.300 nan 0.000 0.470 213 W N 0.634 122.035 121.300 0.168 0.000 2.374 213 W HA -0.104 4.556 4.660 -0.000 0.000 0.288 213 W C 2.540 179.123 176.519 0.107 0.000 1.218 213 W CA 0.938 58.355 57.345 0.120 0.000 1.245 213 W CB -0.407 29.180 29.460 0.211 0.000 1.126 213 W HN -0.104 nan 8.180 nan 0.000 0.545 214 R N 0.147 120.800 120.500 0.254 0.000 2.092 214 R HA -0.127 4.212 4.340 -0.000 0.000 0.231 214 R C 1.934 178.287 176.300 0.090 0.000 1.119 214 R CA 1.499 57.691 56.100 0.154 0.000 0.970 214 R CB -0.479 29.879 30.300 0.096 0.000 0.864 214 R HN 0.269 nan 8.270 nan 0.000 0.440 215 E N 0.139 120.348 120.200 0.015 0.000 2.107 215 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 215 E C 1.573 178.113 176.600 -0.099 0.000 0.982 215 E CA 0.678 57.043 56.400 -0.060 0.000 0.809 215 E CB -0.014 29.618 29.700 -0.113 0.000 0.756 215 E HN 0.194 nan 8.360 nan 0.000 0.459 216 F N 1.736 121.505 119.950 -0.301 0.000 2.069 216 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 216 F C 2.496 178.267 175.800 -0.049 0.000 1.113 216 F CA 1.950 59.773 58.000 -0.294 0.000 1.214 216 F CB -0.177 38.648 39.000 -0.291 0.000 0.978 216 F HN -0.140 nan 8.300 nan 0.000 0.474 217 R N 0.271 120.934 120.500 0.272 0.000 2.096 217 R HA -0.272 4.068 4.340 -0.000 0.000 0.240 217 R C 2.457 178.788 176.300 0.051 0.000 1.139 217 R CA 2.382 58.606 56.100 0.207 0.000 0.952 217 R CB -0.925 29.522 30.300 0.244 0.000 0.854 217 R HN 0.506 nan 8.270 nan 0.000 0.436 218 Q N 1.126 120.943 119.800 0.028 0.000 2.077 218 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 218 Q C 2.122 178.100 176.000 -0.038 0.000 0.989 218 Q CA 1.928 57.732 55.803 0.002 0.000 0.853 218 Q CB -0.697 28.038 28.738 -0.005 0.000 0.907 218 Q HN 0.359 nan 8.270 nan 0.000 0.418 219 R N -0.204 120.229 120.500 -0.112 0.000 2.081 219 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 219 R C 2.412 178.642 176.300 -0.117 0.000 1.131 219 R CA 1.449 57.466 56.100 -0.138 0.000 0.960 219 R CB -1.110 29.050 30.300 -0.232 0.000 0.856 219 R HN 0.488 nan 8.270 nan 0.000 0.436 220 V N 2.001 121.807 119.914 -0.179 0.000 2.270 220 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 220 V C 2.295 178.423 176.094 0.056 0.000 1.043 220 V CA 1.610 63.879 62.300 -0.051 0.000 1.014 220 V CB -0.364 31.430 31.823 -0.049 0.000 0.645 220 V HN 0.197 nan 8.190 nan 0.000 0.447 221 K N 0.637 121.076 120.400 0.065 0.000 2.280 221 K HA -0.059 4.261 4.320 -0.000 0.000 0.202 221 K C 2.132 178.777 176.600 0.074 0.000 1.047 221 K CA 1.286 57.632 56.287 0.098 0.000 0.942 221 K CB -0.815 31.748 32.500 0.105 0.000 0.739 221 K HN 0.563 nan 8.250 nan 0.000 0.457 222 G N 1.025 109.851 108.800 0.042 0.000 2.421 222 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.217 222 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.217 222 G C 1.583 176.507 174.900 0.040 0.000 1.143 222 G CA 0.828 45.948 45.100 0.033 0.000 0.784 222 G HN 0.365 nan 8.290 nan 0.000 0.541 223 A N -0.697 122.150 122.820 0.046 0.000 2.081 223 A HA 0.235 4.555 4.320 -0.000 0.000 0.214 223 A C 1.000 178.625 177.584 0.068 0.000 1.158 223 A CA 0.670 52.739 52.037 0.053 0.000 0.724 223 A CB 0.087 19.123 19.000 0.060 0.000 0.826 223 A HN 0.323 nan 8.150 nan 0.000 0.463 224 N N -1.134 117.620 118.700 0.090 0.000 3.049 224 N HA 0.101 4.841 4.740 -0.000 0.000 0.241 224 N C -2.845 172.755 175.510 0.149 0.000 1.323 224 N CA -0.874 52.243 53.050 0.111 0.000 0.824 224 N CB 1.329 39.889 38.487 0.121 0.000 1.557 224 N HN -0.124 nan 8.380 nan 0.000 0.612 225 P HA -0.105 nan 4.420 nan 0.000 0.223 225 P C 0.297 177.743 177.300 0.243 0.000 1.144 225 P CA 1.229 64.427 63.100 0.163 0.000 0.783 225 P CB 0.518 32.293 31.700 0.125 0.000 0.771 226 E N -0.352 120.019 120.200 0.285 0.000 2.478 226 E HA 0.201 4.551 4.350 -0.000 0.000 0.194 226 E C 0.891 177.875 176.600 0.640 0.000 1.045 226 E CA -0.357 56.323 56.400 0.467 0.000 0.868 226 E CB -0.057 29.900 29.700 0.429 0.000 0.885 226 E HN 0.188 nan 8.360 nan 0.000 0.505 227 A N 1.579 124.653 122.820 0.424 0.000 2.561 227 A HA -0.043 4.277 4.320 -0.000 0.000 0.234 227 A C -0.604 177.155 177.584 0.293 0.000 1.055 227 A CA 0.240 52.517 52.037 0.400 0.000 0.756 227 A CB -0.121 19.045 19.000 0.277 0.000 0.986 227 A HN 0.258 nan 8.150 nan 0.000 0.505 228 Y N 2.276 122.633 120.300 0.096 0.000 2.330 228 Y HA 0.601 5.151 4.550 -0.000 0.000 0.336 228 Y C -0.439 175.391 175.900 -0.116 0.000 1.036 228 Y CA -1.221 56.646 58.100 -0.389 0.000 1.125 228 Y CB 0.900 39.117 38.460 -0.405 0.000 1.194 228 Y HN 0.506 nan 8.280 nan 0.000 0.469 229 I N 7.907 128.197 120.570 -0.467 0.000 2.420 229 I HA 0.339 4.509 4.170 -0.000 0.000 0.282 229 I C -1.224 174.481 176.117 -0.686 0.000 1.019 229 I CA -0.927 60.176 61.300 -0.329 0.000 1.130 229 I CB 1.603 39.649 38.000 0.077 0.000 1.262 229 I HN 0.405 nan 8.210 nan 0.000 0.454 230 V N 6.111 125.508 119.914 -0.862 0.000 2.540 230 V HA 0.821 4.941 4.120 -0.000 0.000 0.302 230 V C 0.137 175.699 176.094 -0.886 0.000 1.035 230 V CA -0.095 61.682 62.300 -0.871 0.000 0.873 230 V CB 1.770 33.024 31.823 -0.948 0.000 0.992 230 V HN 0.762 nan 8.190 nan 0.000 0.428 231 G N 3.814 111.977 108.800 -1.062 0.000 2.389 231 G HA2 0.466 4.426 3.960 -0.000 0.000 0.317 231 G HA3 0.466 4.426 3.960 -0.000 0.000 0.317 231 G C -0.525 173.987 174.900 -0.646 0.000 1.137 231 G CA -0.514 43.857 45.100 -1.215 0.000 0.870 231 G HN 0.890 nan 8.290 nan 0.000 0.496 232 E N 1.637 121.541 120.200 -0.493 0.000 1.941 232 E HA 0.230 4.579 4.350 -0.000 0.000 0.275 232 E C -0.558 175.942 176.600 -0.166 0.000 1.113 232 E CA -0.413 55.839 56.400 -0.247 0.000 0.878 232 E CB 0.190 29.847 29.700 -0.072 0.000 1.070 232 E HN 0.091 nan 8.360 nan 0.000 0.399 233 I N 4.932 125.410 120.570 -0.153 0.000 2.447 233 I HA 0.110 4.280 4.170 -0.000 0.000 0.287 233 I C -0.161 176.022 176.117 0.109 0.000 1.023 233 I CA -0.725 60.541 61.300 -0.056 0.000 1.083 233 I CB 0.967 38.870 38.000 -0.162 0.000 1.245 233 I HN 0.751 nan 8.210 nan 0.000 0.434 234 W N 3.526 124.838 121.300 0.019 0.000 3.047 234 W HA 0.118 4.778 4.660 -0.000 0.000 0.250 234 W C 0.730 177.297 176.519 0.079 0.000 1.314 234 W CA 0.183 57.549 57.345 0.035 0.000 1.540 234 W CB 0.234 29.605 29.460 -0.148 0.000 1.127 234 W HN 0.462 nan 8.180 nan 0.000 0.679 235 E N -1.111 119.253 120.200 0.273 0.000 2.442 235 E HA 0.239 4.589 4.350 -0.000 0.000 0.261 235 E C -0.862 175.882 176.600 0.240 0.000 0.935 235 E CA -0.960 55.574 56.400 0.223 0.000 0.856 235 E CB 0.368 30.184 29.700 0.193 0.000 1.571 235 E HN -0.337 nan 8.360 nan 0.000 0.431 236 E N 0.528 120.862 120.200 0.225 0.000 2.694 236 E HA 0.200 4.550 4.350 -0.000 0.000 0.250 236 E C -0.552 176.278 176.600 0.384 0.000 0.963 236 E CA 0.438 57.008 56.400 0.284 0.000 0.949 236 E CB 0.247 30.042 29.700 0.159 0.000 0.911 236 E HN 0.459 nan 8.360 nan 0.000 0.500 237 A N 3.895 127.015 122.820 0.500 0.000 3.003 237 A HA 0.161 4.480 4.320 -0.000 0.000 0.301 237 A C 0.450 178.391 177.584 0.594 0.000 1.280 237 A CA -0.474 51.919 52.037 0.595 0.000 0.973 237 A CB -0.119 19.146 19.000 0.442 0.000 1.110 237 A HN 0.538 nan 8.150 nan 0.000 0.590 238 D N -0.064 120.634 120.400 0.497 0.000 2.133 238 D HA -0.259 4.381 4.640 -0.000 0.000 0.192 238 D C 1.339 177.768 176.300 0.214 0.000 1.001 238 D CA 1.785 56.001 54.000 0.360 0.000 0.844 238 D CB -0.329 40.588 40.800 0.194 0.000 0.944 238 D HN 0.563 nan 8.370 nan 0.000 0.447 239 F N 0.440 120.350 119.950 -0.068 0.000 2.063 239 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 239 F C 1.691 177.246 175.800 -0.408 0.000 1.109 239 F CA 1.522 59.287 58.000 -0.391 0.000 1.212 239 F CB -0.323 38.133 39.000 -0.905 0.000 0.973 239 F HN 0.108 nan 8.300 nan 0.000 0.480 240 W N 0.217 121.687 121.300 0.282 0.000 2.905 240 W HA 0.138 4.798 4.660 -0.000 0.000 0.251 240 W C 0.479 176.908 176.519 -0.151 0.000 1.305 240 W CA 0.247 57.551 57.345 -0.069 0.000 1.465 240 W CB -0.650 28.669 29.460 -0.236 0.000 1.122 240 W HN 0.031 nan 8.180 nan 0.000 0.659 241 L N 1.414 122.731 121.223 0.156 0.000 3.048 241 L HA 0.189 4.528 4.340 -0.000 0.000 0.234 241 L C 1.434 178.342 176.870 0.064 0.000 1.318 241 L CA -0.016 54.883 54.840 0.098 0.000 1.109 241 L CB 0.023 42.121 42.059 0.065 0.000 1.480 241 L HN -0.224 nan 8.230 nan 0.000 0.495 242 Q N 0.455 120.251 119.800 -0.007 0.000 2.319 242 Q HA 0.220 4.560 4.340 -0.000 0.000 0.209 242 Q C 1.538 177.538 176.000 0.000 0.000 0.884 242 Q CA 0.744 56.533 55.803 -0.023 0.000 0.938 242 Q CB 1.448 30.122 28.738 -0.107 0.000 1.098 242 Q HN 0.706 nan 8.270 nan 0.000 0.517 243 G N 1.725 110.537 108.800 0.019 0.000 2.211 243 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.201 243 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.201 243 G C -0.073 174.852 174.900 0.042 0.000 0.997 243 G CA 0.249 45.376 45.100 0.044 0.000 0.652 243 G HN 0.427 nan 8.290 nan 0.000 0.500 247 D N 0.912 121.389 120.400 0.129 0.000 2.277 247 D HA 0.380 5.020 4.640 -0.000 0.000 0.208 247 D C 0.707 177.058 176.300 0.086 0.000 0.962 247 D CA 1.489 55.552 54.000 0.104 0.000 0.865 247 D CB 0.636 41.456 40.800 0.034 0.000 0.939 247 D HN 0.594 nan 8.370 nan 0.000 0.510 248 A N -0.615 122.193 122.820 -0.021 0.000 2.438 248 A HA 0.551 4.871 4.320 -0.000 0.000 0.301 248 A C -1.178 176.290 177.584 -0.193 0.000 1.101 248 A CA -0.332 51.654 52.037 -0.085 0.000 0.621 248 A CB 0.799 19.797 19.000 -0.002 0.000 1.350 248 A HN 0.046 nan 8.150 nan 0.000 0.496 252 Y N 0.334 120.506 120.300 -0.214 0.000 2.274 252 Y HA 0.023 4.573 4.550 -0.000 0.000 0.290 252 Y C -0.649 175.209 175.900 -0.070 0.000 1.145 252 Y CA 1.367 59.337 58.100 -0.217 0.000 1.203 252 Y CB -0.837 37.398 38.460 -0.375 0.000 0.984 252 Y HN 0.381 nan 8.280 nan 0.000 0.533 253 P HA -0.180 nan 4.420 nan 0.000 0.217 253 P C 1.769 179.092 177.300 0.039 0.000 1.150 253 P CA 1.125 64.275 63.100 0.084 0.000 0.832 253 P CB -0.012 31.734 31.700 0.076 0.000 0.787 254 L N -0.218 121.007 121.223 0.004 0.000 2.093 254 L HA -0.043 4.296 4.340 -0.000 0.000 0.208 254 L C 2.162 179.062 176.870 0.050 0.000 1.085 254 L CA 1.879 56.712 54.840 -0.013 0.000 0.755 254 L CB -1.622 40.420 42.059 -0.027 0.000 0.904 254 L HN -0.129 nan 8.230 nan 0.000 0.435 255 A N -0.270 122.567 122.820 0.029 0.000 1.908 255 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 255 A C 2.428 180.067 177.584 0.091 0.000 1.181 255 A CA 1.892 53.957 52.037 0.047 0.000 0.627 255 A CB -0.526 18.485 19.000 0.019 0.000 0.818 255 A HN 0.512 nan 8.150 nan 0.000 0.445 256 R N -0.585 119.978 120.500 0.105 0.000 2.092 256 R HA -0.018 4.322 4.340 -0.000 0.000 0.231 256 R C 2.495 178.867 176.300 0.120 0.000 1.119 256 R CA 1.115 57.279 56.100 0.106 0.000 0.970 256 R CB -0.442 29.921 30.300 0.106 0.000 0.864 256 R HN 0.520 nan 8.270 nan 0.000 0.440 257 A N 0.672 123.583 122.820 0.151 0.000 1.858 257 A HA -0.119 4.200 4.320 -0.000 0.000 0.216 257 A C 2.344 180.136 177.584 0.348 0.000 1.190 257 A CA 1.457 53.658 52.037 0.274 0.000 0.617 257 A CB -0.693 18.447 19.000 0.233 0.000 0.827 257 A HN 0.107 nan 8.150 nan 0.000 0.443 258 V N 0.160 120.276 119.914 0.336 0.000 2.343 258 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 258 V C 2.583 178.690 176.094 0.022 0.000 1.051 258 V CA 1.972 64.366 62.300 0.157 0.000 1.036 258 V CB -0.783 31.159 31.823 0.197 0.000 0.654 258 V HN 0.543 nan 8.190 nan 0.000 0.451 259 L N 0.235 121.491 121.223 0.055 0.000 2.056 259 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 259 L C 2.645 179.520 176.870 0.009 0.000 1.078 259 L CA 1.725 56.577 54.840 0.021 0.000 0.749 259 L CB -1.095 40.986 42.059 0.037 0.000 0.901 259 L HN 0.467 nan 8.230 nan 0.000 0.433 260 G N -0.594 108.234 108.800 0.047 0.000 2.422 260 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.218 260 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.218 260 G C 1.435 176.367 174.900 0.053 0.000 1.146 260 G CA 0.458 45.590 45.100 0.055 0.000 0.769 260 G HN 0.260 nan 8.290 nan 0.000 0.547 261 F N 1.126 120.947 119.950 -0.216 0.000 2.118 261 F HA 0.072 4.599 4.527 -0.000 0.000 0.293 261 F C 2.597 178.259 175.800 -0.231 0.000 1.102 261 F CA 0.884 58.672 58.000 -0.354 0.000 1.247 261 F CB -0.406 37.990 39.000 -1.007 0.000 1.017 261 F HN -0.006 nan 8.300 nan 0.000 0.475 262 V N 0.132 119.811 119.914 -0.390 0.000 2.453 262 V HA -0.092 4.028 4.120 -0.000 0.000 0.247 262 V C 2.676 178.672 176.094 -0.164 0.000 1.048 262 V CA 1.772 63.867 62.300 -0.342 0.000 1.049 262 V CB -1.497 30.224 31.823 -0.170 0.000 0.672 262 V HN 0.502 nan 8.190 nan 0.000 0.457 263 G N -0.944 107.786 108.800 -0.116 0.000 2.448 263 G HA2 0.251 4.211 3.960 -0.000 0.000 0.218 263 G HA3 0.251 4.211 3.960 -0.000 0.000 0.218 263 G C 1.190 176.056 174.900 -0.056 0.000 1.135 263 G CA 0.983 46.035 45.100 -0.081 0.000 0.784 263 G HN 0.809 nan 8.290 nan 0.000 0.543 264 G N 0.704 109.469 108.800 -0.058 0.000 2.652 264 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.318 264 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.318 264 G C 0.915 175.809 174.900 -0.010 0.000 1.295 264 G CA 0.575 45.657 45.100 -0.029 0.000 0.999 264 G HN 0.304 nan 8.290 nan 0.000 0.548 265 E N 1.093 121.290 120.200 -0.005 0.000 2.502 265 E HA 0.240 4.590 4.350 -0.000 0.000 0.194 265 E C 2.425 179.021 176.600 -0.007 0.000 1.062 265 E CA 0.999 57.398 56.400 -0.002 0.000 0.867 265 E CB -0.058 29.643 29.700 0.003 0.000 0.888 265 E HN 0.710 nan 8.360 nan 0.000 0.510 266 A N 0.555 123.366 122.820 -0.014 0.000 2.195 266 A HA 0.068 4.388 4.320 -0.000 0.000 0.210 266 A C 1.129 178.692 177.584 -0.034 0.000 1.165 266 A CA -0.274 51.747 52.037 -0.026 0.000 0.806 266 A CB -0.022 18.954 19.000 -0.040 0.000 0.847 266 A HN 0.180 nan 8.150 nan 0.000 0.482 267 L N 0.513 121.718 121.223 -0.030 0.000 2.483 267 L HA 0.113 4.452 4.340 -0.000 0.000 0.276 267 L C -0.014 176.844 176.870 -0.019 0.000 1.213 267 L CA 0.257 55.081 54.840 -0.027 0.000 0.843 267 L CB 0.355 42.404 42.059 -0.017 0.000 1.107 267 L HN 0.178 nan 8.230 nan 0.000 0.487 268 D N 3.620 124.009 120.400 -0.019 0.000 2.522 268 D HA 0.124 4.764 4.640 -0.000 0.000 0.218 268 D C 1.134 177.429 176.300 -0.010 0.000 1.149 268 D CA -0.044 53.947 54.000 -0.015 0.000 0.981 268 D CB 0.302 41.091 40.800 -0.018 0.000 1.041 268 D HN 0.535 nan 8.370 nan 0.000 0.518 269 R N 1.239 121.735 120.500 -0.007 0.000 2.105 269 R HA -0.132 4.208 4.340 -0.000 0.000 0.239 269 R C 1.109 177.406 176.300 -0.006 0.000 1.135 269 R CA 1.141 57.240 56.100 -0.003 0.000 0.967 269 R CB 0.167 30.466 30.300 -0.001 0.000 0.861 269 R HN 0.394 nan 8.270 nan 0.000 0.442 270 D N 0.817 121.211 120.400 -0.009 0.000 2.097 270 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 270 D C 1.933 178.225 176.300 -0.014 0.000 0.984 270 D CA 0.830 54.822 54.000 -0.013 0.000 0.826 270 D CB -0.205 40.587 40.800 -0.013 0.000 0.973 270 D HN 0.054 nan 8.370 nan 0.000 0.460 271 L N 1.428 122.643 121.223 -0.013 0.000 2.042 271 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 271 L C 2.173 179.036 176.870 -0.012 0.000 1.076 271 L CA 1.868 56.699 54.840 -0.014 0.000 0.749 271 L CB -0.874 41.176 42.059 -0.015 0.000 0.893 271 L HN -0.045 nan 8.230 nan 0.000 0.432 272 A N -0.537 122.279 122.820 -0.006 0.000 1.933 272 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 272 A C 2.406 179.988 177.584 -0.003 0.000 1.175 272 A CA 1.561 53.600 52.037 0.003 0.000 0.628 272 A CB -1.131 17.878 19.000 0.014 0.000 0.814 272 A HN 0.583 nan 8.150 nan 0.000 0.444 273 A N -0.575 122.239 122.820 -0.011 0.000 2.125 273 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 273 A C 1.924 179.488 177.584 -0.034 0.000 1.156 273 A CA 1.378 53.403 52.037 -0.021 0.000 0.671 273 A CB -0.489 18.498 19.000 -0.021 0.000 0.794 273 A HN 0.696 nan 8.150 nan 0.000 0.459 274 Q N -0.178 119.603 119.800 -0.031 0.000 2.472 274 Q HA 0.006 4.346 4.340 -0.000 0.000 0.208 274 Q C 0.850 176.821 176.000 -0.049 0.000 0.958 274 Q CA 1.032 56.813 55.803 -0.037 0.000 0.932 274 Q CB -0.075 28.646 28.738 -0.029 0.000 1.007 274 Q HN 0.828 nan 8.270 nan 0.000 0.508 275 T N -5.384 109.138 114.554 -0.054 0.000 2.724 275 T HA 0.454 4.804 4.350 -0.000 0.000 0.274 275 T C 1.115 175.731 174.700 -0.141 0.000 0.984 275 T CA -0.282 61.766 62.100 -0.086 0.000 1.024 275 T CB 1.112 69.954 68.868 -0.043 0.000 1.320 275 T HN -0.010 nan 8.240 nan 0.000 0.555 276 G N -0.304 108.312 108.800 -0.305 0.000 2.625 276 G HA2 0.039 3.999 3.960 -0.000 0.000 0.214 276 G HA3 0.039 3.999 3.960 -0.000 0.000 0.214 276 G C 1.255 176.125 174.900 -0.050 0.000 1.132 276 G CA 0.210 44.979 45.100 -0.552 0.000 0.782 276 G HN 0.650 nan 8.290 nan 0.000 0.538 277 L N 0.004 121.301 121.223 0.123 0.000 2.141 277 L HA 0.149 4.489 4.340 -0.000 0.000 0.209 277 L C 1.865 178.784 176.870 0.082 0.000 1.094 277 L CA 0.645 55.584 54.840 0.165 0.000 0.763 277 L CB -0.797 41.338 42.059 0.127 0.000 0.908 277 L HN 0.447 nan 8.230 nan 0.000 0.437 278 G N -0.029 108.782 108.800 0.020 0.000 2.741 278 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.222 278 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.222 278 G C -0.366 174.539 174.900 0.009 0.000 1.364 278 G CA -0.352 44.748 45.100 0.000 0.000 0.866 278 G HN 0.237 nan 8.290 nan 0.000 0.555 279 R N 0.082 120.583 120.500 0.002 0.000 2.351 279 R HA 0.445 4.785 4.340 -0.000 0.000 0.321 279 R C 0.877 177.187 176.300 0.018 0.000 1.182 279 R CA -0.297 55.806 56.100 0.005 0.000 1.011 279 R CB -0.626 29.672 30.300 -0.003 0.000 1.048 279 R HN 0.435 nan 8.270 nan 0.000 0.490 280 I N 3.214 123.799 120.570 0.025 0.000 2.587 280 I HA -0.023 4.147 4.170 -0.000 0.000 0.284 280 I C 0.654 176.790 176.117 0.031 0.000 1.134 280 I CA 0.141 61.462 61.300 0.036 0.000 1.410 280 I CB 0.622 38.646 38.000 0.040 0.000 1.392 280 I HN 0.484 nan 8.210 nan 0.000 0.545 281 E N 9.357 129.579 120.200 0.037 0.000 2.223 281 E HA 0.272 4.622 4.350 -0.000 0.000 0.282 281 E C -2.337 174.290 176.600 0.045 0.000 1.046 281 E CA -1.767 54.654 56.400 0.034 0.000 0.857 281 E CB 0.714 30.434 29.700 0.033 0.000 1.055 281 E HN 0.213 nan 8.360 nan 0.000 0.409 282 P HA 0.042 nan 4.420 nan 0.000 0.267 282 P C -0.939 176.402 177.300 0.067 0.000 1.200 282 P CA 0.338 63.464 63.100 0.044 0.000 0.772 282 P CB 0.483 32.199 31.700 0.028 0.000 0.855 283 L N 2.214 123.500 121.223 0.106 0.000 2.354 283 L HA 0.410 4.750 4.340 -0.000 0.000 0.264 283 L C 0.269 177.257 176.870 0.198 0.000 1.008 283 L CA -1.036 53.887 54.840 0.139 0.000 0.819 283 L CB 1.826 43.991 42.059 0.177 0.000 1.339 283 L HN 0.238 nan 8.230 nan 0.000 0.420 284 Q N 0.391 120.261 119.800 0.116 0.000 2.193 284 Q HA 0.398 4.738 4.340 -0.000 0.000 0.246 284 Q C 0.762 176.764 176.000 0.004 0.000 0.959 284 Q CA -0.104 55.757 55.803 0.097 0.000 0.904 284 Q CB 1.754 30.499 28.738 0.013 0.000 1.238 284 Q HN 0.807 nan 8.270 nan 0.000 0.469 285 A N 1.311 124.124 122.820 -0.011 0.000 1.873 285 A HA -0.227 4.092 4.320 -0.000 0.000 0.218 285 A C 1.793 179.226 177.584 -0.251 0.000 1.193 285 A CA 1.966 53.858 52.037 -0.241 0.000 0.629 285 A CB -0.628 18.336 19.000 -0.060 0.000 0.826 285 A HN 0.597 nan 8.150 nan 0.000 0.447 286 L N -0.456 120.628 121.223 -0.233 0.000 2.017 286 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 286 L C 2.729 179.318 176.870 -0.468 0.000 1.073 286 L CA 2.279 56.890 54.840 -0.382 0.000 0.745 286 L CB -0.932 40.920 42.059 -0.344 0.000 0.894 286 L HN 0.368 nan 8.230 nan 0.000 0.432 287 A N -0.981 121.700 122.820 -0.231 0.000 1.877 287 A HA -0.260 4.059 4.320 -0.000 0.000 0.216 287 A C 2.266 179.795 177.584 -0.092 0.000 1.186 287 A CA 1.808 53.782 52.037 -0.106 0.000 0.620 287 A CB -1.185 17.807 19.000 -0.014 0.000 0.822 287 A HN 0.530 nan 8.150 nan 0.000 0.443 288 F N 1.063 120.839 119.950 -0.290 0.000 2.069 288 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 288 F C 2.697 178.296 175.800 -0.336 0.000 1.113 288 F CA 1.844 59.635 58.000 -0.349 0.000 1.214 288 F CB -0.833 37.752 39.000 -0.691 0.000 0.978 288 F HN 0.227 nan 8.300 nan 0.000 0.474 289 S N -0.848 114.571 115.700 -0.468 0.000 2.370 289 S HA -0.280 4.190 4.470 -0.000 0.000 0.226 289 S C 2.051 176.461 174.600 -0.317 0.000 1.033 289 S CA 1.846 59.783 58.200 -0.437 0.000 1.011 289 S CB -0.795 62.301 63.200 -0.173 0.000 0.852 289 S HN 0.702 nan 8.310 nan 0.000 0.457 290 H N -0.501 118.415 119.070 -0.257 0.000 2.421 290 H HA 0.045 4.600 4.556 -0.000 0.000 0.298 290 H C 2.536 177.689 175.328 -0.292 0.000 1.087 290 H CA 0.954 56.874 56.048 -0.213 0.000 1.330 290 H CB 0.099 29.778 29.762 -0.139 0.000 1.388 290 H HN 0.108 nan 8.280 nan 0.000 0.526 291 R N 1.200 121.565 120.500 -0.225 0.000 2.075 291 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 291 R C 2.259 178.242 176.300 -0.528 0.000 1.126 291 R CA 0.888 56.808 56.100 -0.299 0.000 0.963 291 R CB -0.636 29.520 30.300 -0.241 0.000 0.858 291 R HN 0.369 nan 8.270 nan 0.000 0.435 292 L N 0.175 120.905 121.223 -0.822 0.000 2.027 292 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 292 L C 2.244 178.448 176.870 -1.109 0.000 1.074 292 L CA 1.491 55.540 54.840 -1.318 0.000 0.745 292 L CB -0.511 40.586 42.059 -1.603 0.000 0.898 292 L HN 0.207 nan 8.230 nan 0.000 0.433 293 E N 0.124 119.968 120.200 -0.594 0.000 2.085 293 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 293 E C 1.716 178.188 176.600 -0.212 0.000 0.994 293 E CA 1.711 57.969 56.400 -0.237 0.000 0.801 293 E CB -0.103 29.561 29.700 -0.060 0.000 0.743 293 E HN 0.453 nan 8.360 nan 0.000 0.453 294 D N 0.607 120.847 120.400 -0.265 0.000 2.084 294 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 294 D C 1.891 178.037 176.300 -0.256 0.000 0.990 294 D CA 1.025 54.891 54.000 -0.223 0.000 0.826 294 D CB -0.075 40.602 40.800 -0.205 0.000 0.971 294 D HN 0.078 nan 8.370 nan 0.000 0.453 295 L N -0.690 120.321 121.223 -0.352 0.000 2.201 295 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 295 L C 1.638 178.465 176.870 -0.073 0.000 1.105 295 L CA 0.398 55.069 54.840 -0.282 0.000 0.775 295 L CB -0.342 41.495 42.059 -0.370 0.000 0.913 295 L HN 0.097 nan 8.230 nan 0.000 0.440 296 F N -0.595 119.272 119.950 -0.139 0.000 2.789 296 F HA 0.154 4.681 4.527 -0.000 0.000 0.300 296 F C 2.021 177.794 175.800 -0.045 0.000 1.132 296 F CA 0.365 58.316 58.000 -0.083 0.000 1.404 296 F CB -0.637 38.274 39.000 -0.147 0.000 1.114 296 F HN -0.046 nan 8.300 nan 0.000 0.584 297 G N -0.190 108.652 108.800 0.071 0.000 2.815 297 G HA2 0.018 3.978 3.960 -0.000 0.000 0.215 297 G HA3 0.018 3.978 3.960 -0.000 0.000 0.215 297 G C 1.600 176.463 174.900 -0.061 0.000 1.054 297 G CA -0.152 44.960 45.100 0.021 0.000 0.832 297 G HN 0.314 nan 8.290 nan 0.000 0.557 298 R N -0.873 119.508 120.500 -0.199 0.000 2.280 298 R HA 0.160 4.500 4.340 -0.000 0.000 0.207 298 R C -0.131 175.957 176.300 -0.353 0.000 1.043 298 R CA 0.400 56.297 56.100 -0.338 0.000 1.006 298 R CB -0.332 29.651 30.300 -0.529 0.000 0.885 298 R HN 0.315 nan 8.270 nan 0.000 0.467 299 Y N 0.748 121.077 120.300 0.048 0.000 2.587 299 Y HA 0.445 4.995 4.550 -0.000 0.000 0.337 299 Y C 0.151 176.082 175.900 0.052 0.000 1.065 299 Y CA -1.846 56.288 58.100 0.056 0.000 1.126 299 Y CB 0.850 39.354 38.460 0.073 0.000 1.279 299 Y HN -0.270 nan 8.280 nan 0.000 0.489 300 R N 2.949 123.588 120.500 0.231 0.000 2.590 300 R HA 0.090 4.430 4.340 -0.000 0.000 0.274 300 R C -1.628 174.752 176.300 0.132 0.000 1.061 300 R CA -1.077 55.105 56.100 0.138 0.000 1.081 300 R CB 0.017 30.381 30.300 0.107 0.000 0.984 300 R HN 0.423 nan 8.270 nan 0.000 0.448 301 P HA -0.293 nan 4.420 nan 0.000 0.217 301 P C 0.382 177.717 177.300 0.058 0.000 1.151 301 P CA 1.595 64.738 63.100 0.071 0.000 0.849 301 P CB 0.200 31.928 31.700 0.048 0.000 0.787 302 E N -0.042 120.192 120.200 0.058 0.000 2.204 302 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 302 E C 2.086 178.729 176.600 0.071 0.000 0.989 302 E CA 0.884 57.312 56.400 0.047 0.000 0.824 302 E CB -1.388 28.342 29.700 0.050 0.000 0.756 302 E HN 0.178 nan 8.360 nan 0.000 0.477 303 V N 1.436 121.403 119.914 0.089 0.000 2.446 303 V HA -0.147 3.973 4.120 -0.000 0.000 0.244 303 V C 2.628 178.760 176.094 0.065 0.000 1.039 303 V CA 0.999 63.344 62.300 0.076 0.000 1.045 303 V CB -0.178 31.674 31.823 0.048 0.000 0.681 303 V HN 0.068 nan 8.190 nan 0.000 0.459 304 V N 0.393 120.373 119.914 0.111 0.000 2.392 304 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 304 V C 2.466 178.591 176.094 0.052 0.000 1.059 304 V CA 1.997 64.377 62.300 0.133 0.000 1.051 304 V CB -0.796 31.122 31.823 0.158 0.000 0.658 304 V HN 0.500 nan 8.190 nan 0.000 0.455 305 R N -0.116 120.397 120.500 0.022 0.000 2.307 305 R HA 0.134 4.474 4.340 -0.000 0.000 0.199 305 R C 1.663 177.966 176.300 0.005 0.000 1.000 305 R CA 0.895 56.990 56.100 -0.009 0.000 1.023 305 R CB -0.150 30.136 30.300 -0.023 0.000 0.908 305 R HN 0.506 nan 8.270 nan 0.000 0.473 306 A N 0.112 122.958 122.820 0.043 0.000 2.431 306 A HA 0.121 4.441 4.320 -0.000 0.000 0.239 306 A C 0.521 178.154 177.584 0.081 0.000 1.230 306 A CA -0.352 51.735 52.037 0.083 0.000 0.928 306 A CB 0.376 19.523 19.000 0.246 0.000 1.006 306 A HN 0.024 nan 8.150 nan 0.000 0.520 310 L N -1.606 119.512 121.223 -0.174 0.000 2.313 310 L HA 0.706 5.046 4.340 -0.000 0.000 0.268 310 L C -0.090 176.709 176.870 -0.118 0.000 1.010 310 L CA -0.882 53.873 54.840 -0.141 0.000 0.814 310 L CB 1.658 43.586 42.059 -0.218 0.000 1.304 310 L HN 0.234 nan 8.230 nan 0.000 0.441 311 L N -0.029 121.163 121.223 -0.052 0.000 2.526 311 L HA 0.234 4.574 4.340 -0.000 0.000 0.210 311 L C 0.806 177.668 176.870 -0.013 0.000 1.048 311 L CA 0.790 55.622 54.840 -0.013 0.000 0.852 311 L CB 0.662 42.735 42.059 0.022 0.000 1.128 311 L HN 0.971 nan 8.230 nan 0.000 0.482 312 T N -2.837 111.700 114.554 -0.028 0.000 2.865 312 T HA 0.705 5.055 4.350 -0.000 0.000 0.294 312 T C -0.391 174.200 174.700 -0.181 0.000 1.119 312 T CA -0.224 61.835 62.100 -0.068 0.000 1.007 312 T CB 2.398 71.234 68.868 -0.052 0.000 1.225 312 T HN 0.156 nan 8.240 nan 0.000 0.515 313 S N -0.764 114.691 115.700 -0.408 0.000 2.755 313 S HA 0.335 4.805 4.470 -0.000 0.000 0.286 313 S C 0.748 174.739 174.600 -1.016 0.000 1.207 313 S CA -0.292 57.510 58.200 -0.663 0.000 0.892 313 S CB 0.250 63.356 63.200 -0.155 0.000 1.240 313 S HN 1.171 nan 8.310 nan 0.000 0.525 314 H N 0.173 118.867 119.070 -0.625 0.000 2.545 314 H HA 0.186 4.742 4.556 -0.000 0.000 0.282 314 H C -0.160 175.112 175.328 -0.094 0.000 1.020 314 H CA 1.135 57.049 56.048 -0.224 0.000 1.243 314 H CB -0.509 29.401 29.762 0.247 0.000 1.377 314 H HN 0.553 nan 8.280 nan 0.000 0.581 315 D N 1.421 121.508 120.400 -0.521 0.000 2.363 315 D HA 0.059 4.699 4.640 -0.000 0.000 0.214 315 D C 0.682 176.945 176.300 -0.063 0.000 1.093 315 D CA 0.483 54.334 54.000 -0.248 0.000 0.837 315 D CB 0.841 41.567 40.800 -0.123 0.000 0.948 315 D HN 0.557 nan 8.370 nan 0.000 0.507 316 T N -2.561 111.931 114.554 -0.103 0.000 2.916 316 T HA 0.605 4.954 4.350 -0.000 0.000 0.292 316 T C -3.024 171.631 174.700 -0.075 0.000 1.064 316 T CA -2.264 59.815 62.100 -0.036 0.000 1.011 316 T CB 2.609 71.489 68.868 0.021 0.000 1.152 316 T HN -0.361 nan 8.240 nan 0.000 0.510 317 P HA 0.358 nan 4.420 nan 0.000 0.272 317 P C -0.277 177.001 177.300 -0.038 0.000 1.240 317 P CA -0.666 62.412 63.100 -0.037 0.000 0.791 317 P CB 0.437 32.124 31.700 -0.022 0.000 0.978 318 R N 0.861 121.346 120.500 -0.024 0.000 2.539 318 R HA 0.113 4.452 4.340 -0.000 0.000 0.275 318 R C 1.363 177.657 176.300 -0.009 0.000 1.077 318 R CA -0.624 55.472 56.100 -0.007 0.000 1.097 318 R CB -0.018 30.279 30.300 -0.005 0.000 1.018 318 R HN 0.403 nan 8.270 nan 0.000 0.483 319 L N 3.387 124.611 121.223 0.001 0.000 1.997 319 L HA -0.250 4.090 4.340 -0.000 0.000 0.216 319 L C 1.845 178.703 176.870 -0.020 0.000 1.074 319 L CA 1.822 56.660 54.840 -0.004 0.000 0.763 319 L CB -0.681 41.384 42.059 0.010 0.000 0.890 319 L HN 0.658 nan 8.230 nan 0.000 0.434 320 L N -1.065 120.145 121.223 -0.023 0.000 2.079 320 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 320 L C 2.505 179.354 176.870 -0.035 0.000 1.081 320 L CA 2.042 56.862 54.840 -0.033 0.000 0.752 320 L CB -0.805 41.237 42.059 -0.029 0.000 0.896 320 L HN 0.361 nan 8.230 nan 0.000 0.433 321 S N -0.915 114.767 115.700 -0.029 0.000 2.371 321 S HA -0.013 4.457 4.470 -0.000 0.000 0.224 321 S C 0.947 175.530 174.600 -0.029 0.000 1.029 321 S CA -0.046 58.138 58.200 -0.028 0.000 0.978 321 S CB -0.278 62.907 63.200 -0.024 0.000 0.833 321 S HN 0.168 nan 8.310 nan 0.000 0.466 325 G N 0.819 109.588 108.800 -0.051 0.000 2.176 325 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.253 325 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.253 325 G C 0.037 174.897 174.900 -0.066 0.000 0.979 325 G CA 0.434 45.505 45.100 -0.049 0.000 0.641 325 G HN 0.299 nan 8.290 nan 0.000 0.530 326 S N 0.404 116.044 115.700 -0.099 0.000 2.423 326 S HA 0.427 4.897 4.470 -0.000 0.000 0.302 326 S C 1.903 176.416 174.600 -0.145 0.000 1.143 326 S CA 0.228 58.341 58.200 -0.144 0.000 1.080 326 S CB 0.765 63.829 63.200 -0.227 0.000 1.081 326 S HN 0.676 nan 8.310 nan 0.000 0.522 327 V N 5.776 125.629 119.914 -0.102 0.000 2.332 327 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 327 V C 2.503 178.538 176.094 -0.100 0.000 1.055 327 V CA 2.429 64.684 62.300 -0.075 0.000 1.038 327 V CB -0.816 30.984 31.823 -0.038 0.000 0.651 327 V HN 0.980 nan 8.190 nan 0.000 0.450 328 E N 0.337 120.450 120.200 -0.145 0.000 2.110 328 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 328 E C 2.297 178.737 176.600 -0.267 0.000 0.988 328 E CA 1.296 57.600 56.400 -0.158 0.000 0.804 328 E CB -0.358 29.251 29.700 -0.151 0.000 0.745 328 E HN 0.518 nan 8.360 nan 0.000 0.458 329 R N 0.554 120.785 120.500 -0.449 0.000 2.073 329 R HA 0.034 4.374 4.340 -0.000 0.000 0.229 329 R C 2.527 178.722 176.300 -0.175 0.000 1.120 329 R CA 1.126 56.965 56.100 -0.435 0.000 0.967 329 R CB -0.313 29.696 30.300 -0.485 0.000 0.862 329 R HN 0.277 nan 8.270 nan 0.000 0.436 330 A N 1.171 123.912 122.820 -0.131 0.000 1.933 330 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 330 A C 2.117 179.693 177.584 -0.015 0.000 1.175 330 A CA 1.297 53.300 52.037 -0.056 0.000 0.628 330 A CB -0.424 18.548 19.000 -0.046 0.000 0.814 330 A HN 0.223 nan 8.150 nan 0.000 0.444 331 R N -0.901 119.587 120.500 -0.020 0.000 2.073 331 R HA -0.117 4.222 4.340 -0.000 0.000 0.234 331 R C 1.990 178.323 176.300 0.054 0.000 1.134 331 R CA 1.698 57.810 56.100 0.019 0.000 0.952 331 R CB -0.393 29.916 30.300 0.014 0.000 0.850 331 R HN 0.407 nan 8.270 nan 0.000 0.433 332 L N 0.624 121.880 121.223 0.055 0.000 2.093 332 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 332 L C 2.207 179.142 176.870 0.109 0.000 1.085 332 L CA 1.957 56.860 54.840 0.105 0.000 0.755 332 L CB -0.598 41.548 42.059 0.147 0.000 0.904 332 L HN 0.284 nan 8.230 nan 0.000 0.435 333 A N -0.480 122.380 122.820 0.066 0.000 1.877 333 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 333 A C 2.249 179.903 177.584 0.117 0.000 1.186 333 A CA 2.029 54.110 52.037 0.074 0.000 0.620 333 A CB -0.886 18.133 19.000 0.031 0.000 0.822 333 A HN 0.460 nan 8.150 nan 0.000 0.443 334 L N -0.732 120.562 121.223 0.118 0.000 2.017 334 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 334 L C 3.126 180.162 176.870 0.276 0.000 1.073 334 L CA 1.214 56.160 54.840 0.175 0.000 0.745 334 L CB -0.601 41.557 42.059 0.165 0.000 0.894 334 L HN 0.434 nan 8.230 nan 0.000 0.432 335 A N -0.162 122.793 122.820 0.226 0.000 1.940 335 A HA -0.236 4.083 4.320 -0.000 0.000 0.219 335 A C 2.206 179.975 177.584 0.309 0.000 1.176 335 A CA 1.723 53.911 52.037 0.251 0.000 0.631 335 A CB -0.741 18.346 19.000 0.145 0.000 0.814 335 A HN 0.336 nan 8.150 nan 0.000 0.446 336 L N -0.175 121.211 121.223 0.272 0.000 2.131 336 L HA -0.102 4.237 4.340 -0.000 0.000 0.210 336 L C 2.186 179.231 176.870 0.292 0.000 1.092 336 L CA 1.473 56.507 54.840 0.325 0.000 0.759 336 L CB -0.557 41.699 42.059 0.329 0.000 0.903 336 L HN 0.422 nan 8.230 nan 0.000 0.435 337 L N -1.716 119.619 121.223 0.187 0.000 2.079 337 L HA -0.233 4.106 4.340 -0.000 0.000 0.210 337 L C 2.158 178.978 176.870 -0.083 0.000 1.081 337 L CA 1.294 56.141 54.840 0.011 0.000 0.752 337 L CB -0.572 41.386 42.059 -0.168 0.000 0.896 337 L HN 0.204 nan 8.230 nan 0.000 0.433 338 F N -0.636 119.357 119.950 0.073 0.000 2.699 338 F HA -0.044 4.482 4.527 -0.000 0.000 0.298 338 F C 1.761 177.622 175.800 0.101 0.000 1.154 338 F CA 0.590 58.614 58.000 0.040 0.000 1.457 338 F CB -0.131 38.846 39.000 -0.039 0.000 1.106 338 F HN -0.007 nan 8.300 nan 0.000 0.585 339 L N -0.354 121.058 121.223 0.316 0.000 2.640 339 L HA 0.242 4.582 4.340 -0.000 0.000 0.230 339 L C -0.002 177.110 176.870 0.404 0.000 1.123 339 L CA 0.088 55.147 54.840 0.364 0.000 0.900 339 L CB -0.025 42.314 42.059 0.466 0.000 1.146 339 L HN -0.002 nan 8.230 nan 0.000 0.484 340 L N 0.294 121.665 121.223 0.248 0.000 2.319 340 L HA 0.525 4.865 4.340 -0.000 0.000 0.267 340 L C -2.215 174.649 176.870 -0.010 0.000 1.011 340 L CA -2.024 52.896 54.840 0.134 0.000 0.818 340 L CB 1.750 43.916 42.059 0.180 0.000 1.316 340 L HN -0.225 nan 8.230 nan 0.000 0.432 341 P HA 0.294 nan 4.420 nan 0.000 0.271 341 P C -0.062 177.172 177.300 -0.110 0.000 1.218 341 P CA 0.351 63.317 63.100 -0.223 0.000 0.780 341 P CB 1.225 32.649 31.700 -0.459 0.000 0.901 342 G N 1.887 110.663 108.800 -0.042 0.000 2.373 342 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.634 342 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.634 342 G C -1.385 173.526 174.900 0.020 0.000 1.267 342 G CA -0.781 44.320 45.100 0.002 0.000 1.008 342 G HN 0.549 nan 8.290 nan 0.000 0.497 343 N N 2.520 121.241 118.700 0.035 0.000 2.546 343 N HA 0.467 5.207 4.740 -0.000 0.000 0.238 343 N C -2.565 172.986 175.510 0.069 0.000 0.984 343 N CA -1.054 52.068 53.050 0.120 0.000 0.935 343 N CB 1.900 40.518 38.487 0.218 0.000 1.122 343 N HN 0.401 nan 8.380 nan 0.000 0.510 344 P HA 0.045 nan 4.420 nan 0.000 0.267 344 P C -0.537 176.795 177.300 0.053 0.000 1.209 344 P CA 0.132 63.071 63.100 -0.270 0.000 0.763 344 P CB 0.653 31.722 31.700 -1.052 0.000 0.816 345 T N 2.935 117.533 114.554 0.073 0.000 2.812 345 T HA 0.370 4.720 4.350 -0.000 0.000 0.282 345 T C -0.241 174.598 174.700 0.231 0.000 0.990 345 T CA -0.428 61.822 62.100 0.250 0.000 0.960 345 T CB 1.131 70.077 68.868 0.129 0.000 0.948 345 T HN 0.063 nan 8.240 nan 0.000 0.438 346 V N 3.900 124.034 119.914 0.367 0.000 2.448 346 V HA 0.353 4.472 4.120 -0.000 0.000 0.295 346 V C -0.812 175.317 176.094 0.057 0.000 1.025 346 V CA -1.056 61.407 62.300 0.272 0.000 0.859 346 V CB 1.268 33.386 31.823 0.491 0.000 0.988 346 V HN 0.823 nan 8.190 nan 0.000 0.431 347 Y N 6.528 126.777 120.300 -0.086 0.000 2.402 347 Y HA 0.372 4.922 4.550 -0.000 0.000 0.333 347 Y C 0.255 175.975 175.900 -0.299 0.000 1.076 347 Y CA -1.399 56.609 58.100 -0.153 0.000 1.299 347 Y CB 0.252 38.660 38.460 -0.086 0.000 1.197 347 Y HN 0.740 nan 8.280 nan 0.000 0.517 348 Y N 4.602 124.385 120.300 -0.862 0.000 2.987 348 Y HA 0.269 4.819 4.550 -0.000 0.000 0.339 348 Y C 1.080 176.760 175.900 -0.367 0.000 1.272 348 Y CA 0.024 57.752 58.100 -0.620 0.000 1.562 348 Y CB -0.118 38.163 38.460 -0.298 0.000 1.253 348 Y HN 0.952 nan 8.280 nan 0.000 0.604 349 G N 2.483 111.149 108.800 -0.223 0.000 2.284 349 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.230 349 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.230 349 G C 0.989 175.774 174.900 -0.192 0.000 1.021 349 G CA 0.254 45.175 45.100 -0.299 0.000 0.619 349 G HN 0.600 nan 8.290 nan 0.000 0.510 350 E N 1.139 121.251 120.200 -0.147 0.000 2.204 350 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 350 E C 2.346 178.951 176.600 0.008 0.000 0.990 350 E CA 1.373 57.751 56.400 -0.038 0.000 0.821 350 E CB -0.223 29.496 29.700 0.030 0.000 0.750 350 E HN 0.863 nan 8.360 nan 0.000 0.477 351 E N 1.251 121.481 120.200 0.050 0.000 2.418 351 E HA -0.087 4.263 4.350 -0.000 0.000 0.197 351 E C 1.597 178.167 176.600 -0.049 0.000 1.026 351 E CA 0.973 57.406 56.400 0.056 0.000 0.862 351 E CB -0.075 29.716 29.700 0.152 0.000 0.799 351 E HN 0.227 nan 8.360 nan 0.000 0.518 352 V N -3.165 116.681 119.914 -0.114 0.000 3.276 352 V HA 0.518 4.638 4.120 -0.000 0.000 0.319 352 V C 0.842 176.911 176.094 -0.042 0.000 1.427 352 V CA -0.096 62.109 62.300 -0.159 0.000 1.102 352 V CB -0.232 31.318 31.823 -0.454 0.000 1.020 352 V HN 0.332 nan 8.190 nan 0.000 0.456 356 G N -1.073 107.708 108.800 -0.031 0.000 2.368 356 G HA2 0.628 4.588 3.960 -0.000 0.000 0.301 356 G HA3 0.628 4.588 3.960 -0.000 0.000 0.301 356 G C -0.055 174.828 174.900 -0.027 0.000 1.640 356 G CA 0.400 45.482 45.100 -0.030 0.000 0.941 356 G HN 1.866 nan 8.290 nan 0.000 0.695 357 G N -0.200 108.585 108.800 -0.026 0.000 2.666 357 G HA2 0.631 4.591 3.960 -0.000 0.000 0.207 357 G HA3 0.631 4.591 3.960 -0.000 0.000 0.207 357 G C 0.541 175.423 174.900 -0.030 0.000 1.481 357 G CA -0.037 45.048 45.100 -0.025 0.000 1.071 357 G HN 1.075 nan 8.290 nan 0.000 0.572 358 K N 0.059 120.441 120.400 -0.029 0.000 2.276 358 K HA 0.190 4.510 4.320 -0.000 0.000 0.259 358 K C -0.297 176.283 176.600 -0.035 0.000 1.001 358 K CA -0.222 56.044 56.287 -0.035 0.000 0.927 358 K CB 0.668 33.149 32.500 -0.032 0.000 0.969 358 K HN 0.343 nan 8.250 nan 0.000 0.490 359 D N 2.074 122.449 120.400 -0.042 0.000 2.648 359 D HA -0.080 4.560 4.640 -0.000 0.000 0.229 359 D C -1.293 174.995 176.300 -0.021 0.000 1.119 359 D CA -1.213 52.765 54.000 -0.036 0.000 0.850 359 D CB 0.746 41.524 40.800 -0.037 0.000 1.169 359 D HN 0.489 nan 8.370 nan 0.000 0.489 360 P HA 0.023 nan 4.420 nan 0.000 0.249 360 P C 0.529 177.795 177.300 -0.057 0.000 1.229 360 P CA 0.261 63.337 63.100 -0.039 0.000 0.788 360 P CB 0.283 31.968 31.700 -0.024 0.000 1.072 361 E N 1.420 121.595 120.200 -0.042 0.000 2.209 361 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 361 E C 1.136 177.707 176.600 -0.048 0.000 0.993 361 E CA 1.052 57.426 56.400 -0.042 0.000 0.819 361 E CB -0.174 29.507 29.700 -0.031 0.000 0.745 361 E HN 0.421 nan 8.360 nan 0.000 0.477 362 N N 0.283 118.957 118.700 -0.043 0.000 2.314 362 N HA -0.040 4.699 4.740 -0.000 0.000 0.200 362 N C 0.154 175.669 175.510 0.008 0.000 1.135 362 N CA 0.156 53.200 53.050 -0.009 0.000 0.835 362 N CB 0.197 38.681 38.487 -0.005 0.000 0.989 362 N HN 0.020 nan 8.380 nan 0.000 0.478 363 R N 0.044 120.487 120.500 -0.095 0.000 2.776 363 R HA 0.325 4.665 4.340 -0.000 0.000 0.391 363 R C 0.389 176.592 176.300 -0.162 0.000 1.116 363 R CA -0.401 55.580 56.100 -0.198 0.000 1.056 363 R CB 0.823 30.810 30.300 -0.523 0.000 1.369 363 R HN 0.104 nan 8.270 nan 0.000 0.590 364 G N -0.246 108.491 108.800 -0.106 0.000 2.606 364 G HA2 0.360 4.320 3.960 -0.000 0.000 0.252 364 G HA3 0.360 4.320 3.960 -0.000 0.000 0.252 364 G C 0.427 175.227 174.900 -0.167 0.000 1.206 364 G CA -0.266 44.746 45.100 -0.146 0.000 0.861 364 G HN 0.242 nan 8.290 nan 0.000 0.561 368 W N 1.089 122.505 121.300 0.193 0.000 3.220 368 W HA 0.381 5.041 4.660 -0.000 0.000 0.328 368 W C 1.026 177.454 176.519 -0.153 0.000 1.205 368 W CA -0.235 57.146 57.345 0.061 0.000 1.773 368 W CB 0.815 30.213 29.460 -0.103 0.000 1.086 368 W HN 0.618 nan 8.180 nan 0.000 0.622 369 E N 1.570 121.766 120.200 -0.007 0.000 1.996 369 E HA 0.036 4.386 4.350 -0.000 0.000 0.280 369 E C 0.976 177.224 176.600 -0.586 0.000 1.092 369 E CA 0.335 56.619 56.400 -0.193 0.000 0.862 369 E CB 0.408 30.067 29.700 -0.070 0.000 1.066 369 E HN 0.262 nan 8.360 nan 0.000 0.396 370 E N 3.067 122.726 120.200 -0.901 0.000 2.209 370 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 370 E C 1.282 177.537 176.600 -0.576 0.000 0.993 370 E CA 1.116 56.706 56.400 -1.349 0.000 0.819 370 E CB 0.006 29.070 29.700 -1.060 0.000 0.745 370 E HN 0.654 nan 8.360 nan 0.000 0.477 371 A N 0.867 123.494 122.820 -0.322 0.000 2.172 371 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 371 A C 1.826 179.369 177.584 -0.069 0.000 1.154 371 A CA 0.786 52.738 52.037 -0.141 0.000 0.701 371 A CB -0.100 18.841 19.000 -0.098 0.000 0.789 371 A HN 0.075 nan 8.150 nan 0.000 0.465 372 R N -2.198 118.252 120.500 -0.082 0.000 2.308 372 R HA 0.052 4.392 4.340 -0.000 0.000 0.202 372 R C -0.472 175.937 176.300 0.183 0.000 0.898 372 R CA -0.513 55.611 56.100 0.040 0.000 1.046 372 R CB 0.152 30.480 30.300 0.047 0.000 1.026 372 R HN 0.509 nan 8.270 nan 0.000 0.512 373 W N 2.200 123.506 121.300 0.011 0.000 2.193 373 W HA 0.048 4.708 4.660 -0.000 0.000 0.338 373 W C 0.864 177.394 176.519 0.019 0.000 1.310 373 W CA -0.668 56.686 57.345 0.014 0.000 1.243 373 W CB 0.053 29.536 29.460 0.039 0.000 1.165 373 W HN -0.090 nan 8.180 nan 0.000 0.566 374 Q N 3.392 123.326 119.800 0.223 0.000 2.402 374 Q HA 0.125 4.465 4.340 -0.000 0.000 0.238 374 Q C 1.365 177.441 176.000 0.125 0.000 1.126 374 Q CA 0.237 56.114 55.803 0.125 0.000 0.904 374 Q CB 0.743 29.519 28.738 0.064 0.000 1.357 374 Q HN 0.688 nan 8.270 nan 0.000 0.491 375 K N 3.560 124.045 120.400 0.142 0.000 2.103 375 K HA -0.204 4.116 4.320 -0.000 0.000 0.207 375 K C 1.372 178.018 176.600 0.076 0.000 1.048 375 K CA 1.948 58.313 56.287 0.131 0.000 0.930 375 K CB -0.443 32.130 32.500 0.121 0.000 0.716 375 K HN 0.625 nan 8.250 nan 0.000 0.444 376 D N 0.171 120.605 120.400 0.056 0.000 2.117 376 D HA -0.062 4.578 4.640 -0.000 0.000 0.197 376 D C 1.844 178.160 176.300 0.025 0.000 0.987 376 D CA 1.003 55.024 54.000 0.035 0.000 0.829 376 D CB -0.027 40.791 40.800 0.029 0.000 0.961 376 D HN 0.438 nan 8.370 nan 0.000 0.460 377 L N -0.293 120.945 121.223 0.025 0.000 2.056 377 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 377 L C 2.724 179.600 176.870 0.009 0.000 1.078 377 L CA 0.952 55.802 54.840 0.017 0.000 0.749 377 L CB -0.343 41.725 42.059 0.015 0.000 0.901 377 L HN 0.005 nan 8.230 nan 0.000 0.433 378 R N 0.252 120.754 120.500 0.004 0.000 2.115 378 R HA -0.129 4.211 4.340 -0.000 0.000 0.226 378 R C 2.098 178.385 176.300 -0.021 0.000 1.100 378 R CA 1.070 57.158 56.100 -0.020 0.000 0.980 378 R CB 0.067 30.333 30.300 -0.057 0.000 0.875 378 R HN 0.406 nan 8.270 nan 0.000 0.445 379 E N -0.763 119.438 120.200 0.001 0.000 2.072 379 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 379 E C 1.761 178.334 176.600 -0.045 0.000 0.985 379 E CA 1.710 58.104 56.400 -0.010 0.000 0.801 379 E CB 0.022 29.728 29.700 0.010 0.000 0.750 379 E HN 0.330 nan 8.360 nan 0.000 0.452 380 T N 0.997 115.528 114.554 -0.040 0.000 2.708 380 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 380 T C 2.163 176.774 174.700 -0.148 0.000 1.037 380 T CA 1.066 63.128 62.100 -0.064 0.000 1.146 380 T CB -0.238 68.618 68.868 -0.020 0.000 0.865 380 T HN -0.030 nan 8.240 nan 0.000 0.435 381 V N 1.747 121.580 119.914 -0.135 0.000 2.287 381 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 381 V C 2.519 178.379 176.094 -0.391 0.000 1.053 381 V CA 1.833 63.972 62.300 -0.267 0.000 1.027 381 V CB -0.570 31.224 31.823 -0.048 0.000 0.646 381 V HN 0.457 nan 8.190 nan 0.000 0.447 382 K N 0.172 120.455 120.400 -0.195 0.000 2.057 382 K HA -0.270 4.050 4.320 -0.000 0.000 0.207 382 K C 2.350 178.832 176.600 -0.196 0.000 1.049 382 K CA 1.876 58.069 56.287 -0.157 0.000 0.931 382 K CB -0.135 32.311 32.500 -0.090 0.000 0.714 382 K HN 0.264 nan 8.250 nan 0.000 0.440 383 R N 0.854 121.247 120.500 -0.178 0.000 2.070 383 R HA -0.086 4.254 4.340 -0.000 0.000 0.233 383 R C 2.110 178.283 176.300 -0.211 0.000 1.137 383 R CA 1.556 57.565 56.100 -0.151 0.000 0.945 383 R CB -0.779 29.458 30.300 -0.106 0.000 0.845 383 R HN 0.222 nan 8.270 nan 0.000 0.430 384 L N 0.320 121.346 121.223 -0.329 0.000 2.156 384 L HA 0.102 4.442 4.340 -0.000 0.000 0.208 384 L C 2.351 178.885 176.870 -0.560 0.000 1.095 384 L CA 1.673 56.282 54.840 -0.384 0.000 0.770 384 L CB -0.657 41.178 42.059 -0.374 0.000 0.914 384 L HN 0.357 nan 8.230 nan 0.000 0.439 385 A N -0.536 121.769 122.820 -0.859 0.000 1.930 385 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 385 A C 2.426 179.912 177.584 -0.164 0.000 1.175 385 A CA 1.616 53.284 52.037 -0.615 0.000 0.627 385 A CB -0.414 18.262 19.000 -0.540 0.000 0.815 385 A HN 0.302 nan 8.150 nan 0.000 0.443 386 R N -0.839 119.567 120.500 -0.156 0.000 2.092 386 R HA 0.005 4.345 4.340 -0.000 0.000 0.231 386 R C 1.735 177.987 176.300 -0.081 0.000 1.119 386 R CA 1.114 57.165 56.100 -0.082 0.000 0.970 386 R CB -0.678 29.574 30.300 -0.080 0.000 0.864 386 R HN 0.365 nan 8.270 nan 0.000 0.440 387 L N 0.670 121.850 121.223 -0.071 0.000 2.093 387 L HA 0.013 4.353 4.340 -0.000 0.000 0.208 387 L C 2.377 179.268 176.870 0.036 0.000 1.085 387 L CA 1.704 56.552 54.840 0.012 0.000 0.755 387 L CB -0.628 41.455 42.059 0.040 0.000 0.904 387 L HN 0.202 nan 8.230 nan 0.000 0.435 388 R N -0.526 119.995 120.500 0.035 0.000 2.115 388 R HA -0.179 4.160 4.340 -0.000 0.000 0.226 388 R C 2.303 178.638 176.300 0.059 0.000 1.100 388 R CA 1.332 57.488 56.100 0.094 0.000 0.980 388 R CB -0.004 30.417 30.300 0.202 0.000 0.875 388 R HN 0.267 nan 8.270 nan 0.000 0.445 389 K N 0.601 121.015 120.400 0.024 0.000 2.103 389 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 389 K C 1.415 177.977 176.600 -0.063 0.000 1.052 389 K CA 1.595 57.889 56.287 0.011 0.000 0.945 389 K CB 0.161 32.672 32.500 0.017 0.000 0.722 389 K HN 0.253 nan 8.250 nan 0.000 0.443 390 E N -0.730 119.358 120.200 -0.186 0.000 2.285 390 E HA -0.070 4.280 4.350 -0.000 0.000 0.194 390 E C -0.139 176.166 176.600 -0.491 0.000 0.997 390 E CA 0.470 56.648 56.400 -0.369 0.000 0.845 390 E CB 0.199 29.574 29.700 -0.543 0.000 0.782 390 E HN 0.358 nan 8.360 nan 0.000 0.491 391 H N 0.632 119.706 119.070 0.006 0.000 2.530 391 H HA 0.126 4.682 4.556 -0.000 0.000 0.246 391 H C -1.818 173.559 175.328 0.082 0.000 1.346 391 H CA -2.210 53.859 56.048 0.034 0.000 1.424 391 H CB 0.742 30.388 29.762 -0.194 0.000 1.445 391 H HN 0.064 nan 8.280 nan 0.000 0.511 392 P HA -0.183 nan 4.420 nan 0.000 0.219 392 P C 1.385 178.792 177.300 0.180 0.000 1.144 392 P CA 1.084 64.272 63.100 0.147 0.000 0.806 392 P CB 0.277 32.043 31.700 0.110 0.000 0.771 393 A N 0.008 122.996 122.820 0.279 0.000 2.015 393 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 393 A C 2.332 180.071 177.584 0.258 0.000 1.163 393 A CA 0.893 53.099 52.037 0.281 0.000 0.646 393 A CB -1.443 17.785 19.000 0.381 0.000 0.806 393 A HN 0.169 nan 8.150 nan 0.000 0.448 394 L N -0.687 120.679 121.223 0.239 0.000 2.265 394 L HA -0.174 4.166 4.340 -0.000 0.000 0.215 394 L C 2.622 179.573 176.870 0.136 0.000 1.117 394 L CA 1.593 56.541 54.840 0.180 0.000 0.782 394 L CB -0.324 41.805 42.059 0.118 0.000 0.914 394 L HN 0.603 nan 8.230 nan 0.000 0.441 395 R N -1.624 118.944 120.500 0.113 0.000 2.344 395 R HA 0.074 4.414 4.340 -0.000 0.000 0.209 395 R C 1.789 178.113 176.300 0.041 0.000 0.886 395 R CA 0.923 57.063 56.100 0.067 0.000 1.040 395 R CB -0.328 30.012 30.300 0.066 0.000 1.114 395 R HN 0.210 nan 8.270 nan 0.000 0.547 396 T N -2.220 112.372 114.554 0.063 0.000 3.000 396 T HA 0.402 4.752 4.350 -0.000 0.000 0.248 396 T C 1.026 175.754 174.700 0.046 0.000 1.034 396 T CA 0.109 62.235 62.100 0.043 0.000 1.060 396 T CB 0.275 69.173 68.868 0.050 0.000 0.983 396 T HN 0.261 nan 8.240 nan 0.000 0.482 397 A N 2.995 125.861 122.820 0.077 0.000 2.366 397 A HA 0.646 4.966 4.320 -0.000 0.000 0.249 397 A C -2.272 175.348 177.584 0.059 0.000 1.084 397 A CA -1.297 50.787 52.037 0.079 0.000 0.794 397 A CB -0.231 18.842 19.000 0.121 0.000 1.034 397 A HN 0.322 nan 8.150 nan 0.000 0.491 398 P HA 0.281 nan 4.420 nan 0.000 0.275 398 P C -1.124 176.249 177.300 0.122 0.000 1.266 398 P CA -0.013 63.128 63.100 0.068 0.000 0.793 398 P CB 0.257 31.998 31.700 0.068 0.000 1.074 399 Y N 0.499 120.805 120.300 0.010 0.000 2.341 399 Y HA 0.609 5.159 4.550 -0.000 0.000 0.337 399 Y C -1.241 174.726 175.900 0.113 0.000 1.014 399 Y CA -0.656 57.487 58.100 0.071 0.000 1.111 399 Y CB 0.798 39.280 38.460 0.036 0.000 1.194 399 Y HN 0.166 nan 8.280 nan 0.000 0.462 400 L N 8.149 129.146 121.223 -0.377 0.000 2.441 400 L HA 0.494 4.834 4.340 -0.000 0.000 0.270 400 L C -0.813 175.859 176.870 -0.331 0.000 0.973 400 L CA -0.855 53.851 54.840 -0.224 0.000 0.842 400 L CB 1.224 43.241 42.059 -0.070 0.000 1.239 400 L HN 0.750 nan 8.230 nan 0.000 0.406 401 R N 3.978 124.351 120.500 -0.211 0.000 2.442 401 R HA 0.198 4.538 4.340 -0.000 0.000 0.291 401 R C 0.076 176.369 176.300 -0.012 0.000 1.069 401 R CA -0.126 55.927 56.100 -0.078 0.000 1.022 401 R CB 0.840 31.163 30.300 0.038 0.000 0.976 401 R HN 0.666 nan 8.270 nan 0.000 0.443 402 I N 3.732 124.345 120.570 0.072 0.000 3.971 402 I HA 0.099 4.269 4.170 -0.000 0.000 0.303 402 I C -0.103 176.176 176.117 0.269 0.000 1.233 402 I CA 0.316 61.726 61.300 0.183 0.000 1.346 402 I CB -0.315 37.822 38.000 0.229 0.000 1.273 402 I HN 0.527 nan 8.210 nan 0.000 0.448 403 Y N 0.966 121.251 120.300 -0.025 0.000 2.513 403 Y HA 0.690 5.240 4.550 -0.000 0.000 0.340 403 Y C -1.408 174.440 175.900 -0.086 0.000 1.055 403 Y CA -1.093 56.940 58.100 -0.113 0.000 1.020 403 Y CB 1.849 39.986 38.460 -0.538 0.000 1.301 403 Y HN -0.016 nan 8.280 nan 0.000 0.453 404 A N 5.736 128.221 122.820 -0.558 0.000 2.550 404 A HA 0.580 4.900 4.320 -0.000 0.000 0.282 404 A C -1.971 175.339 177.584 -0.458 0.000 1.071 404 A CA -0.474 51.355 52.037 -0.347 0.000 0.838 404 A CB 1.411 20.278 19.000 -0.222 0.000 1.361 404 A HN 0.530 nan 8.150 nan 0.000 0.408 405 Q N 2.504 122.110 119.800 -0.325 0.000 2.295 405 Q HA 0.443 4.782 4.340 -0.000 0.000 0.268 405 Q C -0.245 175.682 176.000 -0.121 0.000 1.010 405 Q CA 0.582 56.264 55.803 -0.201 0.000 0.856 405 Q CB 2.009 30.637 28.738 -0.183 0.000 1.349 405 Q HN 1.153 nan 8.270 nan 0.000 0.412 406 D N 2.636 122.961 120.400 -0.126 0.000 3.528 406 D HA -0.259 4.380 4.640 -0.000 0.000 0.163 406 D C 0.156 176.381 176.300 -0.125 0.000 1.069 406 D CA 2.570 56.458 54.000 -0.187 0.000 1.082 406 D CB -1.316 39.246 40.800 -0.397 0.000 0.538 406 D HN 0.785 nan 8.370 nan 0.000 0.579 407 G N -1.111 107.510 108.800 -0.299 0.000 3.820 407 G HA2 0.345 4.305 3.960 -0.000 0.000 0.293 407 G HA3 0.345 4.305 3.960 -0.000 0.000 0.293 407 G C -0.610 174.252 174.900 -0.063 0.000 1.152 407 G CA -0.050 44.985 45.100 -0.109 0.000 0.921 407 G HN 0.536 nan 8.290 nan 0.000 0.544 408 H N -0.198 118.829 119.070 -0.071 0.000 2.551 408 H HA 0.546 5.102 4.556 -0.000 0.000 0.321 408 H C -1.119 174.204 175.328 -0.009 0.000 1.028 408 H CA -0.847 54.994 56.048 -0.345 0.000 1.215 408 H CB 2.483 31.695 29.762 -0.917 0.000 1.414 408 H HN 0.187 nan 8.280 nan 0.000 0.480 409 L N 2.911 124.283 121.223 0.248 0.000 2.401 409 L HA 0.807 5.147 4.340 -0.000 0.000 0.266 409 L C -1.393 175.661 176.870 0.306 0.000 0.991 409 L CA -0.555 54.467 54.840 0.304 0.000 0.818 409 L CB 1.864 44.161 42.059 0.396 0.000 1.321 409 L HN 0.714 nan 8.230 nan 0.000 0.413 410 A N 3.950 126.926 122.820 0.260 0.000 2.427 410 A HA 0.820 5.140 4.320 -0.000 0.000 0.298 410 A C -1.485 176.246 177.584 0.245 0.000 1.036 410 A CA -0.357 51.794 52.037 0.189 0.000 0.701 410 A CB 0.847 19.839 19.000 -0.014 0.000 1.250 410 A HN 0.841 nan 8.150 nan 0.000 0.412 411 F N 0.112 120.107 119.950 0.076 0.000 2.626 411 F HA 0.913 5.440 4.527 -0.000 0.000 0.311 411 F C -0.099 175.664 175.800 -0.062 0.000 1.088 411 F CA -1.074 56.855 58.000 -0.119 0.000 0.949 411 F CB 1.451 40.232 39.000 -0.364 0.000 1.322 411 F HN 0.777 nan 8.300 nan 0.000 0.461 412 A N 1.959 124.794 122.820 0.025 0.000 2.325 412 A HA 0.894 5.214 4.320 -0.000 0.000 0.333 412 A C -0.590 177.069 177.584 0.126 0.000 1.155 412 A CA -0.951 51.095 52.037 0.014 0.000 0.814 412 A CB 0.998 19.971 19.000 -0.045 0.000 1.206 412 A HN 0.700 nan 8.150 nan 0.000 0.482 413 R N 1.665 122.268 120.500 0.171 0.000 2.547 413 R HA 0.460 4.800 4.340 -0.000 0.000 0.280 413 R C 0.773 177.185 176.300 0.186 0.000 1.630 413 R CA 0.308 56.549 56.100 0.234 0.000 1.470 413 R CB 0.212 30.718 30.300 0.345 0.000 1.178 413 R HN 1.743 nan 8.270 nan 0.000 0.591 414 G N 4.169 113.021 108.800 0.087 0.000 2.565 414 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.295 414 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.295 414 G C -1.382 173.481 174.900 -0.061 0.000 1.165 414 G CA 0.131 45.242 45.100 0.018 0.000 0.977 414 G HN 0.404 nan 8.290 nan 0.000 0.546 415 P HA 0.193 nan 4.420 nan 0.000 0.249 415 P C -0.297 176.869 177.300 -0.224 0.000 1.229 415 P CA 0.707 63.657 63.100 -0.249 0.000 0.788 415 P CB 0.057 31.512 31.700 -0.407 0.000 1.072 416 Y N 0.555 120.944 120.300 0.148 0.000 2.323 416 Y HA 0.446 4.995 4.550 -0.000 0.000 0.331 416 Y C 0.521 176.470 175.900 0.081 0.000 1.092 416 Y CA -1.385 56.797 58.100 0.137 0.000 1.150 416 Y CB 0.936 39.431 38.460 0.058 0.000 1.200 416 Y HN -0.251 nan 8.280 nan 0.000 0.472 417 L N 3.445 124.849 121.223 0.301 0.000 2.316 417 L HA 0.817 5.157 4.340 -0.000 0.000 0.280 417 L C -0.432 176.510 176.870 0.119 0.000 1.006 417 L CA -0.691 54.224 54.840 0.126 0.000 0.836 417 L CB 0.492 42.615 42.059 0.107 0.000 1.221 417 L HN 0.696 nan 8.230 nan 0.000 0.418 418 A N 4.977 127.663 122.820 -0.223 0.000 2.328 418 A HA 0.713 5.033 4.320 -0.000 0.000 0.284 418 A C -0.812 176.688 177.584 -0.141 0.000 1.160 418 A CA -0.436 51.399 52.037 -0.336 0.000 0.818 418 A CB 0.769 19.159 19.000 -1.017 0.000 1.087 418 A HN 0.539 nan 8.150 nan 0.000 0.504 419 V N 3.634 123.628 119.914 0.133 0.000 2.407 419 V HA 0.402 4.522 4.120 -0.000 0.000 0.291 419 V C -0.515 175.751 176.094 0.287 0.000 1.018 419 V CA -0.481 62.001 62.300 0.303 0.000 0.842 419 V CB 1.479 33.603 31.823 0.501 0.000 0.996 419 V HN 0.619 nan 8.190 nan 0.000 0.426 420 V N 3.967 124.072 119.914 0.319 0.000 2.350 420 V HA 0.416 4.536 4.120 -0.000 0.000 0.285 420 V C -0.000 176.237 176.094 0.239 0.000 1.014 420 V CA -0.613 61.875 62.300 0.314 0.000 0.831 420 V CB 1.664 33.759 31.823 0.452 0.000 1.000 420 V HN 0.864 nan 8.190 nan 0.000 0.433 421 N N 4.231 123.033 118.700 0.170 0.000 2.949 421 N HA 0.337 5.077 4.740 -0.000 0.000 0.243 421 N C 0.343 175.784 175.510 -0.116 0.000 1.113 421 N CA -0.306 52.786 53.050 0.069 0.000 0.980 421 N CB 1.257 39.822 38.487 0.131 0.000 1.256 421 N HN 0.769 nan 8.380 nan 0.000 0.508 422 A N 2.161 124.858 122.820 -0.205 0.000 3.117 422 A HA 0.387 4.707 4.320 -0.000 0.000 0.255 422 A C 0.114 177.309 177.584 -0.647 0.000 1.583 422 A CA -0.267 51.510 52.037 -0.433 0.000 1.234 422 A CB -0.928 17.583 19.000 -0.815 0.000 1.076 422 A HN 0.623 nan 8.150 nan 0.000 0.653 423 S N -1.821 113.308 115.700 -0.952 0.000 2.607 423 S HA 0.668 5.138 4.470 -0.000 0.000 0.273 423 S C -2.809 171.159 174.600 -1.054 0.000 1.148 423 S CA -1.098 56.611 58.200 -0.819 0.000 0.833 423 S CB 1.555 64.544 63.200 -0.351 0.000 1.130 423 S HN -0.035 nan 8.310 nan 0.000 0.470 424 P HA 0.058 nan 4.420 nan 0.000 0.219 424 P C -0.124 176.906 177.300 -0.450 0.000 1.150 424 P CA 1.150 63.988 63.100 -0.436 0.000 0.814 424 P CB -0.088 31.342 31.700 -0.450 0.000 0.787 425 H N -1.508 117.536 119.070 -0.043 0.000 2.479 425 H HA 0.342 4.898 4.556 -0.000 0.000 0.335 425 H C -2.115 173.257 175.328 0.074 0.000 1.142 425 H CA -2.861 53.208 56.048 0.035 0.000 1.234 425 H CB -0.145 29.655 29.762 0.064 0.000 1.503 425 H HN -0.125 nan 8.280 nan 0.000 0.510 426 P HA -0.125 nan 4.420 nan 0.000 0.269 426 P C -0.606 176.820 177.300 0.210 0.000 1.200 426 P CA 0.540 63.735 63.100 0.159 0.000 0.779 426 P CB 0.318 32.089 31.700 0.117 0.000 0.841 427 F N 2.039 121.950 119.950 -0.066 0.000 2.553 427 F HA 0.423 4.950 4.527 -0.000 0.000 0.335 427 F C -0.585 175.145 175.800 -0.117 0.000 1.148 427 F CA -1.634 56.227 58.000 -0.232 0.000 0.963 427 F CB 0.894 39.610 39.000 -0.474 0.000 1.217 427 F HN 0.100 nan 8.300 nan 0.000 0.441 428 R N 3.864 124.104 120.500 -0.433 0.000 2.489 428 R HA 0.227 4.567 4.340 -0.000 0.000 0.287 428 R C -0.578 175.223 176.300 -0.831 0.000 1.053 428 R CA -0.046 55.782 56.100 -0.452 0.000 1.036 428 R CB -0.256 29.894 30.300 -0.250 0.000 0.966 428 R HN 0.631 nan 8.270 nan 0.000 0.432 429 Q N 2.377 121.837 119.800 -0.567 0.000 2.963 429 Q HA 0.084 4.424 4.340 -0.000 0.000 0.262 429 Q C -0.637 174.970 176.000 -0.656 0.000 1.318 429 Q CA -0.153 55.291 55.803 -0.599 0.000 1.089 429 Q CB 0.429 28.967 28.738 -0.334 0.000 1.424 429 Q HN 0.740 nan 8.270 nan 0.000 0.560 430 D N -0.894 119.145 120.400 -0.601 0.000 2.556 430 D HA 0.027 4.667 4.640 -0.000 0.000 0.237 430 D C -0.033 176.022 176.300 -0.407 0.000 1.296 430 D CA -0.508 53.210 54.000 -0.469 0.000 0.807 430 D CB -0.187 40.447 40.800 -0.277 0.000 1.084 430 D HN 0.235 nan 8.370 nan 0.000 0.510 431 F N -0.028 119.715 119.950 -0.344 0.000 2.440 431 F HA 0.569 5.096 4.527 -0.000 0.000 0.323 431 F C -2.168 173.526 175.800 -0.177 0.000 1.192 431 F CA -2.849 55.009 58.000 -0.237 0.000 1.252 431 F CB -0.468 38.292 39.000 -0.399 0.000 1.214 431 F HN -0.294 nan 8.300 nan 0.000 0.578 432 P HA 0.073 nan 4.420 nan 0.000 0.271 432 P C 0.210 177.421 177.300 -0.148 0.000 1.220 432 P CA -0.011 62.999 63.100 -0.149 0.000 0.768 432 P CB 1.191 32.742 31.700 -0.248 0.000 0.848 433 L N 2.285 123.393 121.223 -0.191 0.000 2.610 433 L HA -0.005 4.334 4.340 -0.000 0.000 0.232 433 L C 0.589 177.436 176.870 -0.039 0.000 1.149 433 L CA 0.225 54.995 54.840 -0.117 0.000 0.872 433 L CB -1.421 40.531 42.059 -0.179 0.000 0.992 433 L HN 0.568 nan 8.230 nan 0.000 0.447 434 H N -0.229 118.853 119.070 0.020 0.000 2.655 434 H HA -0.195 4.361 4.556 -0.000 0.000 0.313 434 H C 1.440 176.756 175.328 -0.020 0.000 1.141 434 H CA 0.300 56.356 56.048 0.013 0.000 1.138 434 H CB -1.511 28.270 29.762 0.033 0.000 1.446 434 H HN 0.531 nan 8.280 nan 0.000 0.415 435 G N -1.341 107.477 108.800 0.029 0.000 2.168 435 G HA2 -0.372 3.587 3.960 -0.000 0.000 0.257 435 G HA3 -0.372 3.587 3.960 -0.000 0.000 0.257 435 G C 1.120 176.007 174.900 -0.022 0.000 0.997 435 G CA 0.467 45.575 45.100 0.013 0.000 0.708 435 G HN 0.487 nan 8.290 nan 0.000 0.520 436 V N -1.006 118.838 119.914 -0.117 0.000 2.667 436 V HA 0.198 4.318 4.120 -0.000 0.000 0.252 436 V C 1.101 177.079 176.094 -0.193 0.000 1.065 436 V CA 1.501 63.657 62.300 -0.241 0.000 1.083 436 V CB -0.464 31.080 31.823 -0.466 0.000 0.692 436 V HN 0.325 nan 8.190 nan 0.000 0.468 437 F N 0.111 120.048 119.950 -0.020 0.000 2.561 437 F HA 0.639 5.166 4.527 -0.000 0.000 0.321 437 F C -2.102 173.675 175.800 -0.037 0.000 1.065 437 F CA -3.607 54.371 58.000 -0.037 0.000 0.934 437 F CB 0.851 39.816 39.000 -0.059 0.000 1.215 437 F HN -0.151 nan 8.300 nan 0.000 0.471 438 P HA 0.325 nan 4.420 nan 0.000 0.278 438 P C -0.480 176.847 177.300 0.044 0.000 1.258 438 P CA -0.594 62.550 63.100 0.074 0.000 0.811 438 P CB 1.009 32.736 31.700 0.045 0.000 1.063 439 R N -0.233 120.277 120.500 0.017 0.000 2.615 439 R HA 0.383 4.723 4.340 -0.000 0.000 0.270 439 R C 1.517 177.808 176.300 -0.015 0.000 1.081 439 R CA 0.535 56.633 56.100 -0.004 0.000 1.154 439 R CB -0.773 29.522 30.300 -0.008 0.000 1.063 439 R HN 0.928 nan 8.270 nan 0.000 0.519 440 G N 0.068 108.851 108.800 -0.028 0.000 2.320 440 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.242 440 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.242 440 G C 0.618 175.493 174.900 -0.041 0.000 1.033 440 G CA 0.358 45.439 45.100 -0.032 0.000 0.620 440 G HN 0.872 nan 8.290 nan 0.000 0.517 441 G N -0.070 108.699 108.800 -0.051 0.000 2.494 441 G HA2 0.789 4.749 3.960 -0.000 0.000 0.270 441 G HA3 0.789 4.749 3.960 -0.000 0.000 0.270 441 G C 0.101 174.949 174.900 -0.087 0.000 1.423 441 G CA 1.060 46.118 45.100 -0.069 0.000 1.055 441 G HN 1.517 nan 8.290 nan 0.000 0.536 442 R N -1.899 118.541 120.500 -0.100 0.000 2.778 442 R HA 0.865 5.205 4.340 -0.000 0.000 0.277 442 R C -0.286 175.928 176.300 -0.144 0.000 0.977 442 R CA -0.277 55.766 56.100 -0.095 0.000 0.950 442 R CB 1.190 31.457 30.300 -0.055 0.000 1.165 442 R HN 1.764 nan 8.270 nan 0.000 0.474 443 A N 0.436 123.191 122.820 -0.108 0.000 2.365 443 A HA 0.778 5.098 4.320 -0.000 0.000 0.318 443 A C -0.897 176.796 177.584 0.182 0.000 1.091 443 A CA -0.542 51.438 52.037 -0.095 0.000 0.763 443 A CB 1.830 20.714 19.000 -0.194 0.000 1.248 443 A HN 1.737 nan 8.150 nan 0.000 0.442 444 V N 1.537 121.558 119.914 0.180 0.000 2.656 444 V HA 0.585 4.705 4.120 -0.000 0.000 0.307 444 V C -1.406 174.650 176.094 -0.064 0.000 1.051 444 V CA -0.606 61.756 62.300 0.103 0.000 0.893 444 V CB 1.903 33.725 31.823 -0.002 0.000 0.999 444 V HN 0.952 nan 8.190 nan 0.000 0.426 445 D N 4.907 124.993 120.400 -0.523 0.000 2.380 445 D HA 0.287 4.927 4.640 -0.000 0.000 0.230 445 D C 1.136 177.179 176.300 -0.429 0.000 1.154 445 D CA -0.115 53.343 54.000 -0.904 0.000 0.859 445 D CB 1.129 40.983 40.800 -1.576 0.000 1.045 445 D HN 0.550 nan 8.370 nan 0.000 0.495 446 L N 3.113 124.166 121.223 -0.282 0.000 2.349 446 L HA -0.145 4.195 4.340 -0.000 0.000 0.220 446 L C 1.989 178.764 176.870 -0.158 0.000 1.130 446 L CA 0.647 55.384 54.840 -0.172 0.000 0.791 446 L CB -0.204 41.757 42.059 -0.162 0.000 0.918 446 L HN 0.508 nan 8.230 nan 0.000 0.444 447 L N -0.994 120.103 121.223 -0.209 0.000 2.145 447 L HA -0.076 4.264 4.340 -0.000 0.000 0.201 447 L C 2.658 179.444 176.870 -0.139 0.000 1.075 447 L CA 1.337 56.087 54.840 -0.151 0.000 0.773 447 L CB -0.178 41.798 42.059 -0.138 0.000 0.936 447 L HN 0.309 nan 8.230 nan 0.000 0.451 448 S N -1.552 114.032 115.700 -0.193 0.000 2.492 448 S HA 0.180 4.650 4.470 -0.000 0.000 0.218 448 S C 1.529 176.049 174.600 -0.133 0.000 1.016 448 S CA 0.451 58.565 58.200 -0.144 0.000 0.916 448 S CB 0.847 63.959 63.200 -0.146 0.000 0.791 448 S HN 0.484 nan 8.310 nan 0.000 0.513 449 G N 0.709 109.403 108.800 -0.177 0.000 2.176 449 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.253 449 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.253 449 G C -0.129 174.700 174.900 -0.118 0.000 0.979 449 G CA 0.209 45.233 45.100 -0.127 0.000 0.641 449 G HN 0.627 nan 8.290 nan 0.000 0.530 450 E N 0.040 120.139 120.200 -0.168 0.000 2.413 450 E HA 0.494 4.844 4.350 -0.000 0.000 0.263 450 E C 0.212 176.808 176.600 -0.007 0.000 1.015 450 E CA 0.131 56.484 56.400 -0.079 0.000 0.916 450 E CB 1.028 30.689 29.700 -0.064 0.000 0.947 450 E HN 0.422 nan 8.360 nan 0.000 0.440 451 V N 4.191 124.159 119.914 0.089 0.000 2.709 451 V HA 0.576 4.696 4.120 -0.000 0.000 0.308 451 V C -0.384 175.792 176.094 0.137 0.000 1.062 451 V CA -0.605 61.773 62.300 0.131 0.000 0.901 451 V CB 1.214 33.066 31.823 0.048 0.000 1.003 451 V HN 1.021 nan 8.190 nan 0.000 0.425 452 c N 1.190 119.868 118.600 0.130 0.000 3.320 452 c HA 0.840 5.410 4.570 -0.000 0.000 0.335 452 c C -0.365 173.699 174.090 -0.043 0.000 1.430 452 c CA -0.589 55.753 56.329 0.022 0.000 1.271 452 c CB 1.567 44.068 42.510 -0.014 0.000 1.609 452 c HN 0.743 nan 8.230 nan 0.000 0.457 453 T N 2.670 117.180 114.554 -0.074 0.000 2.864 453 T HA 0.553 4.903 4.350 -0.000 0.000 0.310 453 T C -2.759 171.872 174.700 -0.115 0.000 1.040 453 T CA -0.337 61.710 62.100 -0.088 0.000 0.977 453 T CB 0.945 69.776 68.868 -0.063 0.000 0.976 453 T HN 0.675 nan 8.240 nan 0.000 0.459 454 P HA 0.187 nan 4.420 nan 0.000 0.267 454 P C -0.420 176.815 177.300 -0.108 0.000 1.200 454 P CA -0.234 62.778 63.100 -0.147 0.000 0.772 454 P CB 0.522 32.150 31.700 -0.119 0.000 0.855 455 Q N 0.730 120.462 119.800 -0.114 0.000 2.379 455 Q HA 0.441 4.780 4.340 -0.000 0.000 0.278 455 Q C 0.731 176.678 176.000 -0.089 0.000 1.068 455 Q CA -0.238 55.513 55.803 -0.087 0.000 0.816 455 Q CB 2.065 30.756 28.738 -0.080 0.000 1.387 455 Q HN 0.730 nan 8.270 nan 0.000 0.413 456 G N 0.574 109.333 108.800 -0.067 0.000 2.203 456 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.263 456 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.263 456 G C 0.791 175.647 174.900 -0.073 0.000 1.012 456 G CA 0.944 46.007 45.100 -0.063 0.000 0.749 456 G HN 1.558 nan 8.290 nan 0.000 0.512 457 G N -1.778 106.977 108.800 -0.076 0.000 2.153 457 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.252 457 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.252 457 G C 0.306 175.125 174.900 -0.135 0.000 0.994 457 G CA 1.185 46.235 45.100 -0.084 0.000 0.698 457 G HN 1.039 nan 8.290 nan 0.000 0.521 458 R N -1.111 119.290 120.500 -0.166 0.000 2.732 458 R HA 0.677 5.017 4.340 -0.000 0.000 0.278 458 R C 0.220 176.312 176.300 -0.347 0.000 0.976 458 R CA -1.126 54.822 56.100 -0.253 0.000 0.963 458 R CB 1.408 31.576 30.300 -0.221 0.000 1.150 458 R HN 0.157 nan 8.270 nan 0.000 0.478 459 L N 1.931 122.813 121.223 -0.568 0.000 2.483 459 L HA 0.037 4.376 4.340 -0.000 0.000 0.275 459 L C 0.478 176.999 176.870 -0.583 0.000 1.220 459 L CA 0.226 54.645 54.840 -0.702 0.000 0.833 459 L CB 0.817 42.186 42.059 -1.149 0.000 1.102 459 L HN 0.977 nan 8.230 nan 0.000 0.490 460 c N 1.223 119.473 118.600 -0.582 0.000 3.255 460 c HA 0.650 5.220 4.570 -0.000 0.000 0.282 460 c C 0.875 174.751 174.090 -0.356 0.000 1.441 460 c CA -0.378 55.710 56.329 -0.401 0.000 1.785 460 c CB -1.151 41.188 42.510 -0.284 0.000 2.583 460 c HN 0.854 nan 8.230 nan 0.000 0.615 461 G N 2.324 110.829 108.800 -0.492 0.000 2.599 461 G HA2 0.554 4.514 3.960 -0.000 0.000 0.264 461 G HA3 0.554 4.514 3.960 -0.000 0.000 0.264 461 G C -2.056 172.823 174.900 -0.036 0.000 1.200 461 G CA -0.578 44.452 45.100 -0.117 0.000 0.896 461 G HN 0.369 nan 8.290 nan 0.000 0.536 462 P HA 0.216 nan 4.420 nan 0.000 0.279 462 P C 0.483 177.787 177.300 0.006 0.000 1.282 462 P CA -0.319 62.795 63.100 0.023 0.000 0.788 462 P CB 0.576 32.307 31.700 0.051 0.000 1.139 463 V N -1.971 117.937 119.914 -0.010 0.000 2.788 463 V HA 0.048 4.168 4.120 -0.000 0.000 0.307 463 V C 0.515 176.633 176.094 0.040 0.000 1.069 463 V CA -0.284 62.007 62.300 -0.015 0.000 1.173 463 V CB -0.668 31.160 31.823 0.009 0.000 0.925 463 V HN 0.349 nan 8.190 nan 0.000 0.492 464 L N 6.967 128.227 121.223 0.061 0.000 2.260 464 L HA 0.457 4.796 4.340 -0.000 0.000 0.289 464 L C -1.838 175.102 176.870 0.117 0.000 1.057 464 L CA -1.949 52.967 54.840 0.127 0.000 0.811 464 L CB 1.891 44.084 42.059 0.223 0.000 1.184 464 L HN 0.640 nan 8.230 nan 0.000 0.429 465 P HA 0.093 nan 4.420 nan 0.000 0.269 465 P C -2.602 174.746 177.300 0.079 0.000 1.217 465 P CA -1.213 61.937 63.100 0.084 0.000 0.783 465 P CB -0.484 31.260 31.700 0.074 0.000 0.898 466 P HA -0.073 nan 4.420 nan 0.000 0.263 466 P C -0.161 177.181 177.300 0.071 0.000 1.168 466 P CA 0.733 63.824 63.100 -0.015 0.000 0.759 466 P CB -0.491 31.236 31.700 0.045 0.000 0.782 467 F N -0.311 119.654 119.950 0.025 0.000 3.048 467 F HA -0.256 4.270 4.527 -0.000 0.000 0.269 467 F C 0.621 176.441 175.800 0.034 0.000 0.960 467 F CA 0.888 58.891 58.000 0.005 0.000 0.909 467 F CB -2.284 36.701 39.000 -0.025 0.000 0.837 467 F HN 0.131 nan 8.300 nan 0.000 0.768 468 S N -0.310 115.478 115.700 0.146 0.000 2.704 468 S HA 0.882 5.351 4.470 -0.000 0.000 0.305 468 S C -0.604 174.082 174.600 0.142 0.000 1.107 468 S CA -0.827 57.454 58.200 0.135 0.000 0.993 468 S CB 2.571 65.837 63.200 0.110 0.000 1.110 468 S HN 0.203 nan 8.310 nan 0.000 0.534 469 L N 1.043 122.338 121.223 0.120 0.000 2.354 469 L HA 0.913 5.253 4.340 -0.000 0.000 0.264 469 L C -1.003 175.910 176.870 0.073 0.000 1.008 469 L CA -0.348 54.567 54.840 0.125 0.000 0.819 469 L CB 1.612 43.743 42.059 0.120 0.000 1.339 469 L HN 0.810 nan 8.230 nan 0.000 0.420 470 A N 3.519 126.387 122.820 0.079 0.000 2.515 470 A HA 0.801 5.121 4.320 -0.000 0.000 0.298 470 A C -2.085 175.470 177.584 -0.049 0.000 1.059 470 A CA -0.429 51.581 52.037 -0.044 0.000 0.698 470 A CB 1.629 20.653 19.000 0.039 0.000 1.289 470 A HN 0.663 nan 8.150 nan 0.000 0.404 471 L N 1.687 122.783 121.223 -0.212 0.000 2.442 471 L HA 0.657 4.997 4.340 -0.000 0.000 0.261 471 L C -1.688 175.129 176.870 -0.089 0.000 1.000 471 L CA -0.118 54.675 54.840 -0.078 0.000 0.882 471 L CB 0.385 42.381 42.059 -0.105 0.000 1.207 471 L HN 0.741 nan 8.230 nan 0.000 0.443 472 W N 4.605 125.990 121.300 0.142 0.000 2.375 472 W HA 0.757 5.417 4.660 -0.001 0.000 0.336 472 W C 0.319 177.019 176.519 0.302 0.000 1.160 472 W CA -0.371 57.086 57.345 0.187 0.000 1.266 472 W CB 1.081 30.689 29.460 0.248 0.000 1.195 472 W HN 0.419 nan 8.180 nan 0.000 0.599 473 R N 0.940 121.636 120.500 0.327 0.000 2.663 473 R HA 0.170 4.510 4.340 -0.000 0.000 0.267 473 R C -0.852 175.240 176.300 -0.348 0.000 1.038 473 R CA -0.808 55.326 56.100 0.056 0.000 0.886 473 R CB 1.453 31.822 30.300 0.116 0.000 1.249 473 R HN 0.343 nan 8.270 nan 0.000 0.463 474 E N 1.647 121.517 120.200 -0.550 0.000 2.376 474 E HA 0.133 4.483 4.350 -0.000 0.000 0.266 474 E C 0.001 176.477 176.600 -0.206 0.000 1.009 474 E CA 0.425 56.542 56.400 -0.470 0.000 0.902 474 E CB 1.259 30.758 29.700 -0.335 0.000 0.972 474 E HN 0.665 nan 8.360 nan 0.000 0.439 475 A N 0.000 122.727 122.820 -0.154 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 51.991 52.037 -0.076 0.000 0.836 475 A CB 0.000 18.965 19.000 -0.058 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486