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 3o3p_1_A DATA FIRST_RESID 10 DATA SEQUENCE GPASAAEWFR QRSYDYGQFP PEDLARRKRE LGLTVSAVLP SRNVADTVGG DATA SEQUENCE IIDEIHALNE RAPLIDQILV VDADSEDGTA GVAASHGAEV YSENELMSGY DATA SEQUENCE GDAHGKGDAM WRALSVTRGD LVLYIDADTR DFRPQLAYGV LGPVLEVPGV DATA SEQUENCE RFVKAAYRRP XXXXXXXEED GGGRVTELTA KPLFNLFYPE LAGFVQPLAG DATA SEQUENCE EFVADRELFC SIPFLTGYAV ETGIMIDVLK KVGLGAMAQV DLGERQNRHQ DATA SEQUENCE HLRDLSRMSY AVVRAVARRL RQEGRLQQLR EPGLPESFFQ LSDYLHAVAT DATA SEQUENCE PEGLKLQEYV EELVERPPIN EVLRV 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 10 G C 0.000 174.946 174.900 0.077 0.000 0.946 10 G CA 0.000 45.139 45.100 0.066 0.000 0.502 11 P HA 0.672 nan 4.420 nan 0.000 0.301 11 P C 0.461 177.812 177.300 0.086 0.000 1.337 11 P CA 0.192 63.359 63.100 0.112 0.000 0.889 11 P CB 1.872 33.689 31.700 0.196 0.000 1.050 12 A N 2.373 125.235 122.820 0.070 0.000 1.972 12 A HA 0.108 4.430 4.320 0.002 0.000 0.219 12 A C 0.990 178.606 177.584 0.053 0.000 1.169 12 A CA 1.617 53.684 52.037 0.051 0.000 0.635 12 A CB -0.614 18.410 19.000 0.040 0.000 0.810 12 A HN 0.751 nan 8.150 nan 0.000 0.446 13 S N -4.424 111.323 115.700 0.077 0.000 2.638 13 S HA 0.653 5.125 4.470 0.002 0.000 0.274 13 S C 0.740 175.418 174.600 0.130 0.000 1.157 13 S CA -0.073 58.173 58.200 0.076 0.000 0.826 13 S CB 1.155 64.388 63.200 0.056 0.000 1.139 13 S HN 0.990 nan 8.310 nan 0.000 0.474 14 A N 0.787 123.672 122.820 0.109 0.000 1.978 14 A HA 0.182 4.503 4.320 0.002 0.000 0.220 14 A C 2.249 179.992 177.584 0.265 0.000 1.170 14 A CA 2.118 54.258 52.037 0.172 0.000 0.636 14 A CB -1.587 17.467 19.000 0.089 0.000 0.810 14 A HN 1.484 nan 8.150 nan 0.000 0.448 15 A N -0.435 122.474 122.820 0.149 0.000 1.902 15 A HA -0.168 4.153 4.320 0.002 0.000 0.217 15 A C 2.037 179.726 177.584 0.174 0.000 1.181 15 A CA 1.790 53.901 52.037 0.124 0.000 0.623 15 A CB -0.473 18.555 19.000 0.047 0.000 0.818 15 A HN 0.680 nan 8.150 nan 0.000 0.443 16 E N -1.573 118.719 120.200 0.154 0.000 2.072 16 E HA -0.219 4.132 4.350 0.002 0.000 0.190 16 E C 1.807 178.492 176.600 0.141 0.000 0.982 16 E CA 1.201 57.673 56.400 0.121 0.000 0.803 16 E CB -0.310 29.451 29.700 0.101 0.000 0.755 16 E HN 0.757 nan 8.360 nan 0.000 0.453 17 W N 0.505 121.823 121.300 0.030 0.000 2.333 17 W HA -0.258 4.403 4.660 0.002 0.000 0.316 17 W C 1.888 178.393 176.519 -0.022 0.000 1.215 17 W CA 1.894 59.240 57.345 0.000 0.000 1.278 17 W CB -0.705 28.754 29.460 -0.001 0.000 1.154 17 W HN 0.170 nan 8.180 nan 0.000 0.486 18 F N 1.578 121.514 119.950 -0.023 0.000 2.192 18 F HA -0.222 4.306 4.527 0.002 0.000 0.301 18 F C 2.620 178.178 175.800 -0.402 0.000 1.079 18 F CA 2.521 60.328 58.000 -0.322 0.000 1.303 18 F CB -0.595 38.414 39.000 0.016 0.000 1.024 18 F HN -0.141 nan 8.300 nan 0.000 0.494 19 R N -0.030 120.411 120.500 -0.097 0.000 2.070 19 R HA -0.161 4.181 4.340 0.002 0.000 0.232 19 R C 2.206 178.289 176.300 -0.361 0.000 1.138 19 R CA 2.121 58.126 56.100 -0.158 0.000 0.936 19 R CB -0.317 29.959 30.300 -0.039 0.000 0.839 19 R HN 0.391 nan 8.270 nan 0.000 0.429 20 Q N -1.002 118.577 119.800 -0.368 0.000 2.398 20 Q HA 0.053 4.394 4.340 0.002 0.000 0.204 20 Q C 0.994 176.644 176.000 -0.584 0.000 0.932 20 Q CA 0.453 56.038 55.803 -0.364 0.000 0.916 20 Q CB 0.677 29.299 28.738 -0.194 0.000 1.024 20 Q HN 0.086 nan 8.270 nan 0.000 0.504 21 R N -0.371 119.575 120.500 -0.922 0.000 2.565 21 R HA 0.277 4.619 4.340 0.002 0.000 0.347 21 R C -0.396 175.229 176.300 -1.124 0.000 1.010 21 R CA 0.060 55.554 56.100 -1.010 0.000 1.126 21 R CB 1.365 30.915 30.300 -1.250 0.000 1.331 21 R HN -0.087 nan 8.270 nan 0.000 0.552 22 S N 1.182 116.165 115.700 -1.195 0.000 2.438 22 S HA 0.539 5.010 4.470 0.002 0.000 0.316 22 S C -0.776 173.359 174.600 -0.775 0.000 1.084 22 S CA -0.415 57.241 58.200 -0.908 0.000 1.107 22 S CB 0.778 63.329 63.200 -1.082 0.000 0.981 22 S HN 0.063 nan 8.310 nan 0.000 0.466 23 Y N 0.977 121.186 120.300 -0.152 0.000 2.654 23 Y HA 0.576 5.128 4.550 0.002 0.000 0.327 23 Y C 0.258 176.163 175.900 0.007 0.000 1.122 23 Y CA -1.235 56.851 58.100 -0.024 0.000 1.227 23 Y CB 1.016 39.611 38.460 0.227 0.000 1.370 23 Y HN 0.493 nan 8.280 nan 0.000 0.528 24 D N -1.212 119.297 120.400 0.182 0.000 2.498 24 D HA 0.155 4.797 4.640 0.002 0.000 0.247 24 D C 0.148 176.523 176.300 0.125 0.000 1.070 24 D CA -0.625 53.432 54.000 0.095 0.000 0.842 24 D CB 0.834 41.595 40.800 -0.065 0.000 1.361 24 D HN 0.471 nan 8.370 nan 0.000 0.484 25 Y N 2.002 122.388 120.300 0.143 0.000 2.315 25 Y HA 0.048 4.600 4.550 0.002 0.000 0.288 25 Y C 1.829 177.821 175.900 0.153 0.000 1.154 25 Y CA 1.151 59.370 58.100 0.199 0.000 1.229 25 Y CB -0.870 37.603 38.460 0.022 0.000 0.980 25 Y HN 0.375 nan 8.280 nan 0.000 0.540 26 G N 0.539 108.955 108.800 -0.640 0.000 2.485 26 G HA2 -0.279 3.682 3.960 0.002 0.000 0.221 26 G HA3 -0.279 3.682 3.960 0.002 0.000 0.221 26 G C 1.382 176.102 174.900 -0.300 0.000 1.115 26 G CA 0.996 45.789 45.100 -0.511 0.000 0.751 26 G HN 0.627 nan 8.290 nan 0.000 0.567 27 Q N -0.880 118.671 119.800 -0.414 0.000 2.435 27 Q HA 0.110 4.452 4.340 0.002 0.000 0.207 27 Q C -0.147 175.400 176.000 -0.755 0.000 0.956 27 Q CA 0.263 55.675 55.803 -0.651 0.000 0.917 27 Q CB 0.214 28.395 28.738 -0.928 0.000 0.997 27 Q HN 0.552 nan 8.270 nan 0.000 0.497 28 F N 0.835 120.820 119.950 0.058 0.000 2.449 28 F HA 0.374 4.902 4.527 0.002 0.000 0.329 28 F C -2.344 173.535 175.800 0.132 0.000 1.245 28 F CA -3.176 54.879 58.000 0.091 0.000 1.193 28 F CB 0.550 39.624 39.000 0.123 0.000 1.425 28 F HN -0.222 nan 8.300 nan 0.000 0.544 29 P HA 0.017 nan 4.420 nan 0.000 0.265 29 P C -1.692 175.568 177.300 -0.066 0.000 1.193 29 P CA -0.952 62.167 63.100 0.032 0.000 0.765 29 P CB 0.553 32.250 31.700 -0.004 0.000 0.823 30 P HA -0.196 nan 4.420 nan 0.000 0.218 30 P C 1.110 178.309 177.300 -0.168 0.000 1.149 30 P CA 1.575 64.431 63.100 -0.406 0.000 0.817 30 P CB -0.002 31.294 31.700 -0.674 0.000 0.785 31 E N 0.616 120.749 120.200 -0.112 0.000 2.077 31 E HA -0.193 4.158 4.350 0.002 0.000 0.193 31 E C 1.484 178.065 176.600 -0.032 0.000 0.989 31 E CA 1.147 57.512 56.400 -0.059 0.000 0.800 31 E CB -1.390 28.285 29.700 -0.042 0.000 0.746 31 E HN 0.208 nan 8.360 nan 0.000 0.452 32 D N 1.534 121.924 120.400 -0.018 0.000 2.092 32 D HA -0.111 4.531 4.640 0.002 0.000 0.193 32 D C 2.329 178.638 176.300 0.016 0.000 0.994 32 D CA 1.057 55.063 54.000 0.010 0.000 0.828 32 D CB -0.427 40.394 40.800 0.035 0.000 0.963 32 D HN 0.156 nan 8.370 nan 0.000 0.450 33 L N 0.535 121.769 121.223 0.019 0.000 2.012 33 L HA -0.205 4.137 4.340 0.002 0.000 0.210 33 L C 2.563 179.430 176.870 -0.004 0.000 1.073 33 L CA 1.328 56.177 54.840 0.016 0.000 0.748 33 L CB -0.647 41.424 42.059 0.021 0.000 0.891 33 L HN -0.001 nan 8.230 nan 0.000 0.431 34 A N 0.143 122.951 122.820 -0.020 0.000 1.873 34 A HA -0.253 4.068 4.320 0.002 0.000 0.218 34 A C 2.412 179.991 177.584 -0.008 0.000 1.193 34 A CA 1.888 53.916 52.037 -0.016 0.000 0.629 34 A CB -0.609 18.376 19.000 -0.026 0.000 0.826 34 A HN 0.315 nan 8.150 nan 0.000 0.447 35 R N -1.353 119.142 120.500 -0.008 0.000 2.080 35 R HA -0.190 4.152 4.340 0.002 0.000 0.236 35 R C 2.534 178.834 176.300 0.001 0.000 1.137 35 R CA 1.875 57.973 56.100 -0.003 0.000 0.943 35 R CB -0.312 29.986 30.300 -0.002 0.000 0.846 35 R HN 0.479 nan 8.270 nan 0.000 0.431 36 R N 1.536 122.038 120.500 0.004 0.000 2.083 36 R HA -0.166 4.176 4.340 0.002 0.000 0.237 36 R C 2.022 178.322 176.300 0.000 0.000 1.137 36 R CA 2.020 58.123 56.100 0.005 0.000 0.951 36 R CB -0.346 29.960 30.300 0.010 0.000 0.851 36 R HN 0.097 nan 8.270 nan 0.000 0.434 37 K N -0.086 120.313 120.400 -0.002 0.000 2.032 37 K HA -0.199 4.123 4.320 0.002 0.000 0.209 37 K C 2.273 178.873 176.600 -0.001 0.000 1.048 37 K CA 1.797 58.083 56.287 -0.003 0.000 0.927 37 K CB -0.218 32.280 32.500 -0.002 0.000 0.712 37 K HN 0.127 nan 8.250 nan 0.000 0.441 38 R N 0.676 121.175 120.500 -0.001 0.000 2.083 38 R HA -0.172 4.169 4.340 0.002 0.000 0.237 38 R C 2.111 178.411 176.300 0.000 0.000 1.137 38 R CA 2.194 58.294 56.100 -0.000 0.000 0.951 38 R CB -0.122 30.177 30.300 -0.001 0.000 0.851 38 R HN 0.389 nan 8.270 nan 0.000 0.434 39 E N 0.202 120.402 120.200 0.001 0.000 2.058 39 E HA -0.214 4.137 4.350 0.002 0.000 0.194 39 E C 1.957 178.558 176.600 0.001 0.000 0.997 39 E CA 1.351 57.752 56.400 0.001 0.000 0.801 39 E CB -0.129 29.572 29.700 0.002 0.000 0.746 39 E HN 0.343 nan 8.360 nan 0.000 0.450 40 L N -0.251 120.973 121.223 0.001 0.000 2.465 40 L HA 0.047 4.388 4.340 0.002 0.000 0.224 40 L C 1.405 178.275 176.870 0.001 0.000 1.145 40 L CA 0.394 55.235 54.840 0.001 0.000 0.834 40 L CB -0.362 41.696 42.059 -0.001 0.000 0.944 40 L HN 0.331 nan 8.230 nan 0.000 0.451 41 G N 0.969 109.770 108.800 0.001 0.000 2.225 41 G HA2 -0.293 3.669 3.960 0.002 0.000 0.267 41 G HA3 -0.293 3.669 3.960 0.002 0.000 0.267 41 G C 0.153 175.054 174.900 0.001 0.000 1.024 41 G CA 0.059 45.160 45.100 0.001 0.000 0.784 41 G HN 0.260 nan 8.290 nan 0.000 0.507 42 L N 0.641 121.864 121.223 0.000 0.000 2.375 42 L HA 0.646 4.987 4.340 0.002 0.000 0.271 42 L C 1.157 178.027 176.870 0.000 0.000 1.107 42 L CA -0.130 54.710 54.840 0.000 0.000 0.806 42 L CB 1.350 43.408 42.059 -0.001 0.000 1.146 42 L HN 0.355 nan 8.230 nan 0.000 0.447 43 T N -0.749 113.806 114.554 0.000 0.000 2.888 43 T HA 0.696 5.047 4.350 0.002 0.000 0.284 43 T C -0.469 174.230 174.700 -0.002 0.000 1.017 43 T CA -0.780 61.320 62.100 -0.000 0.000 1.022 43 T CB 1.972 70.839 68.868 -0.001 0.000 1.013 43 T HN 0.194 nan 8.240 nan 0.000 0.465 44 V N 2.001 121.914 119.914 -0.003 0.000 2.495 44 V HA 0.567 4.688 4.120 0.002 0.000 0.298 44 V C 0.017 176.098 176.094 -0.022 0.000 1.031 44 V CA -0.795 61.499 62.300 -0.009 0.000 0.871 44 V CB 1.863 33.685 31.823 -0.002 0.000 0.988 44 V HN 1.080 nan 8.190 nan 0.000 0.432 45 S N 3.293 118.966 115.700 -0.045 0.000 2.437 45 S HA 0.728 5.199 4.470 0.002 0.000 0.305 45 S C 0.143 174.672 174.600 -0.118 0.000 1.109 45 S CA -0.413 57.743 58.200 -0.072 0.000 1.099 45 S CB 1.459 64.605 63.200 -0.090 0.000 1.004 45 S HN 1.019 nan 8.310 nan 0.000 0.475 46 A N 3.450 126.207 122.820 -0.104 0.000 2.274 46 A HA 0.680 5.002 4.320 0.002 0.000 0.309 46 A C -0.478 177.006 177.584 -0.167 0.000 1.226 46 A CA -0.545 51.411 52.037 -0.136 0.000 0.853 46 A CB 0.395 19.344 19.000 -0.085 0.000 1.146 46 A HN 0.625 nan 8.150 nan 0.000 0.518 47 V N 4.293 124.057 119.914 -0.251 0.000 2.409 47 V HA 0.343 4.465 4.120 0.002 0.000 0.291 47 V C -0.391 175.649 176.094 -0.091 0.000 1.020 47 V CA -0.333 61.839 62.300 -0.213 0.000 0.848 47 V CB 1.326 32.898 31.823 -0.417 0.000 0.990 47 V HN 0.731 nan 8.190 nan 0.000 0.430 48 L N 6.629 127.824 121.223 -0.046 0.000 2.337 48 L HA 0.423 4.764 4.340 0.002 0.000 0.269 48 L C -2.645 174.231 176.870 0.010 0.000 1.018 48 L CA -1.645 53.179 54.840 -0.026 0.000 0.876 48 L CB 1.550 43.562 42.059 -0.078 0.000 1.236 48 L HN 0.385 nan 8.230 nan 0.000 0.436 49 P HA 0.097 nan 4.420 nan 0.000 0.266 49 P C -0.544 176.769 177.300 0.022 0.000 1.215 49 P CA 0.380 63.508 63.100 0.046 0.000 0.763 49 P CB 0.777 32.513 31.700 0.060 0.000 0.806 50 S N 3.760 119.468 115.700 0.014 0.000 2.605 50 S HA 0.562 5.034 4.470 0.002 0.000 0.308 50 S C -0.460 174.144 174.600 0.006 0.000 1.113 50 S CA -0.704 57.497 58.200 0.002 0.000 1.049 50 S CB 1.442 64.635 63.200 -0.012 0.000 1.001 50 S HN 0.361 nan 8.310 nan 0.000 0.480 51 R N 3.009 123.514 120.500 0.009 0.000 2.539 51 R HA 0.265 4.607 4.340 0.002 0.000 0.295 51 R C -0.933 175.377 176.300 0.016 0.000 1.138 51 R CA -0.360 55.748 56.100 0.013 0.000 0.936 51 R CB 0.180 30.489 30.300 0.015 0.000 1.182 51 R HN 0.744 nan 8.270 nan 0.000 0.459 52 N N 2.776 121.482 118.700 0.011 0.000 2.688 52 N HA -0.139 4.602 4.740 0.002 0.000 0.258 52 N C 0.104 175.617 175.510 0.006 0.000 1.016 52 N CA 1.324 54.380 53.050 0.011 0.000 0.747 52 N CB -0.830 37.668 38.487 0.019 0.000 0.895 52 N HN 0.473 nan 8.380 nan 0.000 0.543 53 V N -3.606 116.305 119.914 -0.006 0.000 2.940 53 V HA 0.584 4.705 4.120 0.002 0.000 0.366 53 V C 1.680 177.755 176.094 -0.032 0.000 1.353 53 V CA 0.294 62.583 62.300 -0.018 0.000 1.232 53 V CB 0.628 32.434 31.823 -0.029 0.000 1.278 53 V HN 0.321 nan 8.190 nan 0.000 0.546 54 A N 2.174 124.983 122.820 -0.019 0.000 1.948 54 A HA -0.242 4.079 4.320 0.002 0.000 0.220 54 A C 1.856 179.425 177.584 -0.026 0.000 1.177 54 A CA 2.422 54.448 52.037 -0.018 0.000 0.636 54 A CB -0.568 18.431 19.000 -0.002 0.000 0.815 54 A HN 0.810 nan 8.150 nan 0.000 0.449 55 D N -1.075 119.313 120.400 -0.020 0.000 2.348 55 D HA -0.079 4.563 4.640 0.002 0.000 0.216 55 D C 1.439 177.714 176.300 -0.040 0.000 0.970 55 D CA 1.705 55.693 54.000 -0.019 0.000 0.889 55 D CB -0.678 40.118 40.800 -0.007 0.000 0.912 55 D HN 0.536 nan 8.370 nan 0.000 0.524 56 T N -2.845 111.671 114.554 -0.062 0.000 2.989 56 T HA 0.056 4.408 4.350 0.002 0.000 0.250 56 T C 1.974 176.580 174.700 -0.157 0.000 0.981 56 T CA 0.535 62.584 62.100 -0.086 0.000 0.980 56 T CB -0.662 68.172 68.868 -0.056 0.000 1.133 56 T HN 0.052 nan 8.240 nan 0.000 0.489 57 V N 1.328 121.141 119.914 -0.168 0.000 2.332 57 V HA 0.102 4.224 4.120 0.002 0.000 0.248 57 V C 2.713 178.598 176.094 -0.348 0.000 1.055 57 V CA 1.934 64.096 62.300 -0.231 0.000 1.038 57 V CB -1.920 29.799 31.823 -0.173 0.000 0.651 57 V HN 0.509 nan 8.190 nan 0.000 0.450 58 G N 0.948 109.484 108.800 -0.441 0.000 2.476 58 G HA2 -0.171 3.790 3.960 0.002 0.000 0.218 58 G HA3 -0.171 3.790 3.960 0.002 0.000 0.218 58 G C 1.573 176.061 174.900 -0.686 0.000 1.164 58 G CA 1.100 45.594 45.100 -1.011 0.000 0.768 58 G HN 0.792 nan 8.290 nan 0.000 0.560 59 G N 0.577 109.172 108.800 -0.342 0.000 2.422 59 G HA2 -0.080 3.882 3.960 0.002 0.000 0.218 59 G HA3 -0.080 3.882 3.960 0.002 0.000 0.218 59 G C 1.750 176.531 174.900 -0.199 0.000 1.140 59 G CA 0.754 45.749 45.100 -0.174 0.000 0.775 59 G HN 0.470 nan 8.290 nan 0.000 0.545 60 I N 0.215 120.572 120.570 -0.355 0.000 2.277 60 I HA -0.015 4.156 4.170 0.002 0.000 0.243 60 I C 2.575 178.393 176.117 -0.497 0.000 1.094 60 I CA 0.489 61.404 61.300 -0.641 0.000 1.393 60 I CB -0.177 37.296 38.000 -0.878 0.000 1.078 60 I HN 0.091 nan 8.210 nan 0.000 0.417 61 I N 0.978 121.301 120.570 -0.412 0.000 2.194 61 I HA -0.345 3.826 4.170 0.002 0.000 0.246 61 I C 2.088 177.992 176.117 -0.357 0.000 1.093 61 I CA 1.463 62.526 61.300 -0.395 0.000 1.355 61 I CB -0.497 37.324 38.000 -0.298 0.000 1.046 61 I HN 0.250 nan 8.210 nan 0.000 0.413 62 D N 0.569 120.886 120.400 -0.138 0.000 2.092 62 D HA -0.190 4.451 4.640 0.002 0.000 0.193 62 D C 2.190 178.514 176.300 0.040 0.000 0.994 62 D CA 1.148 55.179 54.000 0.051 0.000 0.828 62 D CB -0.297 40.565 40.800 0.105 0.000 0.963 62 D HN 0.247 nan 8.370 nan 0.000 0.450 63 E N 0.312 120.525 120.200 0.023 0.000 2.110 63 E HA -0.108 4.243 4.350 0.002 0.000 0.193 63 E C 2.440 179.114 176.600 0.123 0.000 0.988 63 E CA 0.289 56.763 56.400 0.123 0.000 0.804 63 E CB -0.228 29.638 29.700 0.278 0.000 0.745 63 E HN 0.407 nan 8.360 nan 0.000 0.458 64 I N -0.008 120.577 120.570 0.025 0.000 2.286 64 I HA -0.281 3.890 4.170 0.002 0.000 0.248 64 I C 2.167 178.311 176.117 0.045 0.000 1.115 64 I CA 1.156 62.467 61.300 0.018 0.000 1.392 64 I CB -0.345 37.589 38.000 -0.110 0.000 1.065 64 I HN 0.199 nan 8.210 nan 0.000 0.418 65 H N 0.223 119.320 119.070 0.045 0.000 2.357 65 H HA -0.091 4.466 4.556 0.002 0.000 0.301 65 H C 2.412 177.765 175.328 0.042 0.000 1.082 65 H CA 0.964 57.034 56.048 0.037 0.000 1.342 65 H CB 0.015 29.797 29.762 0.033 0.000 1.389 65 H HN 0.358 nan 8.280 nan 0.000 0.511 66 A N 1.004 123.930 122.820 0.176 0.000 1.902 66 A HA -0.165 4.156 4.320 0.002 0.000 0.217 66 A C 2.267 179.908 177.584 0.096 0.000 1.181 66 A CA 1.445 53.553 52.037 0.118 0.000 0.623 66 A CB -0.633 18.430 19.000 0.105 0.000 0.818 66 A HN 0.346 nan 8.150 nan 0.000 0.443 67 L N 0.428 121.715 121.223 0.107 0.000 2.017 67 L HA -0.157 4.184 4.340 0.002 0.000 0.208 67 L C 1.780 178.687 176.870 0.061 0.000 1.073 67 L CA 2.340 57.232 54.840 0.085 0.000 0.745 67 L CB -0.881 41.252 42.059 0.124 0.000 0.894 67 L HN 0.317 nan 8.230 nan 0.000 0.432 68 N N 0.251 119.000 118.700 0.082 0.000 2.258 68 N HA -0.230 4.511 4.740 0.002 0.000 0.187 68 N C 1.710 177.247 175.510 0.045 0.000 1.012 68 N CA 1.631 54.721 53.050 0.066 0.000 0.870 68 N CB -0.165 38.381 38.487 0.097 0.000 0.977 68 N HN 0.599 nan 8.380 nan 0.000 0.434 69 E N 0.308 120.537 120.200 0.049 0.000 2.047 69 E HA -0.096 4.255 4.350 0.002 0.000 0.191 69 E C 2.031 178.640 176.600 0.016 0.000 0.987 69 E CA 0.916 57.333 56.400 0.029 0.000 0.799 69 E CB 0.003 29.722 29.700 0.032 0.000 0.752 69 E HN 0.350 nan 8.360 nan 0.000 0.449 70 R N 0.119 120.627 120.500 0.014 0.000 2.090 70 R HA 0.112 4.453 4.340 0.002 0.000 0.228 70 R C 0.285 176.575 176.300 -0.017 0.000 1.110 70 R CA 0.984 57.082 56.100 -0.003 0.000 0.973 70 R CB 0.309 30.604 30.300 -0.008 0.000 0.869 70 R HN -0.015 nan 8.270 nan 0.000 0.440 71 A N 0.857 123.666 122.820 -0.018 0.000 2.541 71 A HA 0.360 4.681 4.320 0.002 0.000 0.285 71 A C -2.771 174.805 177.584 -0.012 0.000 1.058 71 A CA -1.478 50.541 52.037 -0.030 0.000 0.886 71 A CB 1.018 19.973 19.000 -0.075 0.000 1.411 71 A HN -0.159 nan 8.150 nan 0.000 0.403 72 P HA 0.318 nan 4.420 nan 0.000 0.269 72 P C 0.225 177.531 177.300 0.010 0.000 1.263 72 P CA 0.365 63.472 63.100 0.010 0.000 0.813 72 P CB 0.422 32.126 31.700 0.007 0.000 0.868 73 L N 2.834 124.070 121.223 0.022 0.000 2.758 73 L HA 0.285 4.627 4.340 0.002 0.000 0.234 73 L C 0.531 177.419 176.870 0.031 0.000 1.049 73 L CA 0.207 55.062 54.840 0.026 0.000 0.908 73 L CB 0.311 42.394 42.059 0.040 0.000 1.362 73 L HN 0.193 nan 8.230 nan 0.000 0.499 74 I N 0.629 121.222 120.570 0.038 0.000 2.355 74 I HA 0.160 4.332 4.170 0.002 0.000 0.288 74 I C 0.010 176.145 176.117 0.030 0.000 0.999 74 I CA -0.025 61.292 61.300 0.029 0.000 1.163 74 I CB 1.408 39.425 38.000 0.029 0.000 1.316 74 I HN 0.142 nan 8.210 nan 0.000 0.454 75 D N 3.757 124.167 120.400 0.017 0.000 2.301 75 D HA -0.013 4.628 4.640 0.002 0.000 0.206 75 D C 0.672 176.985 176.300 0.021 0.000 0.979 75 D CA 0.773 54.784 54.000 0.019 0.000 0.874 75 D CB 1.258 42.063 40.800 0.009 0.000 0.968 75 D HN 0.544 nan 8.370 nan 0.000 0.510 76 Q N 0.772 120.578 119.800 0.010 0.000 2.305 76 Q HA 0.432 4.774 4.340 0.002 0.000 0.271 76 Q C -1.668 174.329 176.000 -0.005 0.000 1.046 76 Q CA -0.431 55.378 55.803 0.011 0.000 0.798 76 Q CB 2.092 30.831 28.738 0.003 0.000 1.286 76 Q HN -0.028 nan 8.270 nan 0.000 0.435 77 I N 4.890 125.463 120.570 0.006 0.000 2.354 77 I HA 0.286 4.457 4.170 0.002 0.000 0.286 77 I C -1.129 174.985 176.117 -0.005 0.000 1.007 77 I CA -0.830 60.454 61.300 -0.027 0.000 1.167 77 I CB 1.047 39.014 38.000 -0.056 0.000 1.320 77 I HN 0.420 nan 8.210 nan 0.000 0.458 78 L N 7.510 128.728 121.223 -0.007 0.000 2.287 78 L HA 0.448 4.790 4.340 0.002 0.000 0.287 78 L C -0.082 176.802 176.870 0.023 0.000 1.022 78 L CA -0.514 54.360 54.840 0.056 0.000 0.814 78 L CB 1.593 43.695 42.059 0.072 0.000 1.217 78 L HN 0.246 nan 8.230 nan 0.000 0.420 79 V N 4.456 124.391 119.914 0.036 0.000 2.370 79 V HA 0.379 4.501 4.120 0.002 0.000 0.279 79 V C -0.102 176.039 176.094 0.078 0.000 1.029 79 V CA -0.655 61.655 62.300 0.017 0.000 0.870 79 V CB 1.789 33.598 31.823 -0.023 0.000 0.984 79 V HN 0.429 nan 8.190 nan 0.000 0.451 80 V N 4.548 124.502 119.914 0.067 0.000 2.294 80 V HA 0.279 4.400 4.120 0.002 0.000 0.272 80 V C -0.103 176.022 176.094 0.052 0.000 1.027 80 V CA -0.498 61.853 62.300 0.086 0.000 0.823 80 V CB 1.358 33.217 31.823 0.061 0.000 1.030 80 V HN 0.954 nan 8.190 nan 0.000 0.457 81 D N 4.073 124.504 120.400 0.052 0.000 2.210 81 D HA 0.506 5.147 4.640 0.002 0.000 0.249 81 D C 0.713 177.029 176.300 0.026 0.000 1.078 81 D CA -0.292 53.724 54.000 0.028 0.000 0.875 81 D CB 1.924 42.735 40.800 0.018 0.000 1.175 81 D HN 0.593 nan 8.370 nan 0.000 0.440 82 A N 3.475 126.304 122.820 0.015 0.000 2.648 82 A HA 0.167 4.488 4.320 0.002 0.000 0.269 82 A C 0.139 177.728 177.584 0.009 0.000 1.392 82 A CA -0.256 51.787 52.037 0.010 0.000 1.019 82 A CB -0.508 18.492 19.000 0.001 0.000 1.009 82 A HN 0.671 nan 8.150 nan 0.000 0.565 83 D N 0.290 120.698 120.400 0.013 0.000 2.701 83 D HA -0.130 4.511 4.640 0.002 0.000 0.235 83 D C 0.005 176.310 176.300 0.008 0.000 1.155 83 D CA 1.425 55.431 54.000 0.010 0.000 0.649 83 D CB -2.027 38.779 40.800 0.010 0.000 1.050 83 D HN 0.463 nan 8.370 nan 0.000 0.425 84 S N 0.245 115.949 115.700 0.008 0.000 2.573 84 S HA -0.085 4.386 4.470 0.002 0.000 0.297 84 S C 1.544 176.149 174.600 0.008 0.000 1.280 84 S CA -0.049 58.156 58.200 0.008 0.000 1.061 84 S CB 0.784 63.988 63.200 0.006 0.000 0.812 84 S HN 0.208 nan 8.310 nan 0.000 0.500 85 E N 1.295 121.501 120.200 0.010 0.000 2.511 85 E HA -0.110 4.241 4.350 0.002 0.000 0.196 85 E C 0.751 177.356 176.600 0.010 0.000 1.066 85 E CA 0.500 56.906 56.400 0.010 0.000 0.871 85 E CB -0.031 29.677 29.700 0.012 0.000 0.863 85 E HN 0.726 nan 8.360 nan 0.000 0.520 86 D N -0.505 119.901 120.400 0.009 0.000 2.349 86 D HA 0.028 4.670 4.640 0.002 0.000 0.214 86 D C 1.272 177.576 176.300 0.008 0.000 1.063 86 D CA 0.584 54.590 54.000 0.009 0.000 0.847 86 D CB 0.449 41.254 40.800 0.010 0.000 0.933 86 D HN 0.144 nan 8.370 nan 0.000 0.513 87 G N -0.193 108.610 108.800 0.006 0.000 2.159 87 G HA2 -0.324 3.638 3.960 0.002 0.000 0.227 87 G HA3 -0.324 3.638 3.960 0.002 0.000 0.227 87 G C 1.102 176.005 174.900 0.005 0.000 0.986 87 G CA 0.486 45.590 45.100 0.006 0.000 0.651 87 G HN 0.303 nan 8.290 nan 0.000 0.523 88 T N 0.934 115.489 114.554 0.001 0.000 2.624 88 T HA -0.091 4.260 4.350 0.002 0.000 0.268 88 T C 2.825 177.521 174.700 -0.007 0.000 1.041 88 T CA 2.992 65.088 62.100 -0.006 0.000 1.159 88 T CB -0.465 68.397 68.868 -0.009 0.000 0.863 88 T HN 1.333 nan 8.240 nan 0.000 0.434 89 A N 1.194 124.010 122.820 -0.006 0.000 1.883 89 A HA 0.043 4.364 4.320 0.002 0.000 0.217 89 A C 2.658 180.237 177.584 -0.009 0.000 1.186 89 A CA 2.092 54.122 52.037 -0.012 0.000 0.624 89 A CB -1.426 17.567 19.000 -0.012 0.000 0.822 89 A HN 0.544 nan 8.150 nan 0.000 0.444 90 G N -0.763 108.036 108.800 -0.001 0.000 2.422 90 G HA2 -0.104 3.858 3.960 0.002 0.000 0.218 90 G HA3 -0.104 3.858 3.960 0.002 0.000 0.218 90 G C 1.499 176.416 174.900 0.028 0.000 1.146 90 G CA 1.243 46.345 45.100 0.005 0.000 0.769 90 G HN 0.336 nan 8.290 nan 0.000 0.547 91 V N 1.374 121.311 119.914 0.040 0.000 2.358 91 V HA -0.104 4.017 4.120 0.002 0.000 0.246 91 V C 3.291 179.466 176.094 0.135 0.000 1.047 91 V CA 2.039 64.395 62.300 0.095 0.000 1.035 91 V CB -0.750 31.104 31.823 0.052 0.000 0.658 91 V HN 0.472 nan 8.190 nan 0.000 0.452 92 A N -0.136 122.708 122.820 0.040 0.000 1.898 92 A HA -0.029 4.292 4.320 0.002 0.000 0.216 92 A C 2.418 180.034 177.584 0.054 0.000 1.181 92 A CA 1.842 53.890 52.037 0.018 0.000 0.620 92 A CB -0.738 18.242 19.000 -0.034 0.000 0.819 92 A HN 0.544 nan 8.150 nan 0.000 0.442 93 A N 0.503 123.337 122.820 0.022 0.000 1.902 93 A HA -0.120 4.202 4.320 0.002 0.000 0.217 93 A C 2.474 180.072 177.584 0.024 0.000 1.181 93 A CA 2.372 54.411 52.037 0.003 0.000 0.623 93 A CB -1.028 17.956 19.000 -0.027 0.000 0.818 93 A HN 1.060 nan 8.150 nan 0.000 0.443 94 S N -1.411 114.311 115.700 0.035 0.000 2.507 94 S HA -0.134 4.338 4.470 0.002 0.000 0.235 94 S C 1.459 176.026 174.600 -0.055 0.000 0.988 94 S CA 1.122 59.313 58.200 -0.015 0.000 0.944 94 S CB -0.686 62.494 63.200 -0.034 0.000 0.762 94 S HN 0.711 nan 8.310 nan 0.000 0.526 95 H N 0.422 119.497 119.070 0.010 0.000 2.551 95 H HA 0.292 4.850 4.556 0.002 0.000 0.271 95 H C 1.668 177.067 175.328 0.119 0.000 0.984 95 H CA 0.496 56.571 56.048 0.045 0.000 1.164 95 H CB 0.580 30.354 29.762 0.019 0.000 1.437 95 H HN 0.636 nan 8.280 nan 0.000 0.550 96 G N 0.715 109.614 108.800 0.165 0.000 2.179 96 G HA2 -0.219 3.743 3.960 0.002 0.000 0.220 96 G HA3 -0.219 3.743 3.960 0.002 0.000 0.220 96 G C 0.438 175.428 174.900 0.150 0.000 0.990 96 G CA 0.080 45.272 45.100 0.153 0.000 0.646 96 G HN 0.590 nan 8.290 nan 0.000 0.517 97 A N 0.155 123.031 122.820 0.093 0.000 2.322 97 A HA 0.655 4.976 4.320 0.002 0.000 0.269 97 A C 0.439 178.011 177.584 -0.020 0.000 1.094 97 A CA -0.079 51.973 52.037 0.026 0.000 0.807 97 A CB 0.351 19.336 19.000 -0.024 0.000 1.047 97 A HN 0.460 nan 8.150 nan 0.000 0.487 98 E N 0.316 120.495 120.200 -0.036 0.000 2.344 98 E HA 0.370 4.721 4.350 0.002 0.000 0.270 98 E C -0.955 175.527 176.600 -0.198 0.000 1.021 98 E CA -0.143 56.176 56.400 -0.135 0.000 0.887 98 E CB 0.954 30.620 29.700 -0.056 0.000 0.997 98 E HN 0.330 nan 8.360 nan 0.000 0.429 99 V N 4.247 123.944 119.914 -0.362 0.000 2.495 99 V HA 0.388 4.509 4.120 0.002 0.000 0.298 99 V C -0.942 174.863 176.094 -0.482 0.000 1.031 99 V CA -0.808 61.331 62.300 -0.269 0.000 0.871 99 V CB 0.524 32.257 31.823 -0.151 0.000 0.988 99 V HN 0.555 nan 8.190 nan 0.000 0.432 100 Y N 1.046 121.333 120.300 -0.021 0.000 2.545 100 Y HA 0.579 5.131 4.550 0.002 0.000 0.348 100 Y C 0.408 176.299 175.900 -0.014 0.000 1.002 100 Y CA -0.774 57.315 58.100 -0.019 0.000 1.039 100 Y CB 2.212 40.656 38.460 -0.028 0.000 1.271 100 Y HN 0.555 nan 8.280 nan 0.000 0.467 101 S N 1.155 116.947 115.700 0.153 0.000 2.513 101 S HA 0.097 4.569 4.470 0.002 0.000 0.276 101 S C 0.961 175.611 174.600 0.084 0.000 1.254 101 S CA -0.479 57.774 58.200 0.088 0.000 1.053 101 S CB 0.486 63.722 63.200 0.059 0.000 0.958 101 S HN 0.836 nan 8.310 nan 0.000 0.491 102 E N 3.917 124.153 120.200 0.060 0.000 2.267 102 E HA -0.199 4.153 4.350 0.002 0.000 0.197 102 E C 0.731 177.363 176.600 0.054 0.000 0.998 102 E CA 1.103 57.533 56.400 0.050 0.000 0.830 102 E CB -0.233 29.491 29.700 0.040 0.000 0.751 102 E HN 0.613 nan 8.360 nan 0.000 0.491 103 N N 0.683 119.413 118.700 0.051 0.000 2.373 103 N HA -0.005 4.737 4.740 0.002 0.000 0.181 103 N C 0.992 176.538 175.510 0.059 0.000 1.082 103 N CA 0.574 53.656 53.050 0.053 0.000 0.885 103 N CB 0.368 38.876 38.487 0.036 0.000 0.977 103 N HN 0.414 nan 8.380 nan 0.000 0.462 104 E N 0.259 120.495 120.200 0.059 0.000 2.307 104 E HA 0.154 4.506 4.350 0.002 0.000 0.195 104 E C 0.202 176.831 176.600 0.048 0.000 0.975 104 E CA -0.038 56.397 56.400 0.059 0.000 0.878 104 E CB 0.528 30.271 29.700 0.071 0.000 0.845 104 E HN 0.192 nan 8.360 nan 0.000 0.488 105 L N 1.941 123.181 121.223 0.027 0.000 2.426 105 L HA 0.067 4.409 4.340 0.002 0.000 0.271 105 L C 0.442 177.319 176.870 0.011 0.000 1.169 105 L CA -0.369 54.451 54.840 -0.032 0.000 0.836 105 L CB 0.268 42.263 42.059 -0.106 0.000 1.112 105 L HN 0.177 nan 8.230 nan 0.000 0.465 106 M N 0.876 120.473 119.600 -0.005 0.000 2.210 106 M HA -0.229 4.252 4.480 0.002 0.000 0.198 106 M C 1.543 177.973 176.300 0.215 0.000 0.319 106 M CA 0.993 56.358 55.300 0.110 0.000 0.399 106 M CB -2.565 30.087 32.600 0.086 0.000 1.227 106 M HN 0.907 nan 8.290 nan 0.000 0.931 107 S N -1.023 114.752 115.700 0.124 0.000 2.440 107 S HA -0.063 4.409 4.470 0.002 0.000 0.240 107 S C 1.904 176.573 174.600 0.115 0.000 1.014 107 S CA 1.267 59.534 58.200 0.112 0.000 0.980 107 S CB -0.646 62.594 63.200 0.066 0.000 0.775 107 S HN 0.741 nan 8.310 nan 0.000 0.499 108 G N -0.184 108.684 108.800 0.113 0.000 2.501 108 G HA2 -0.152 3.810 3.960 0.002 0.000 0.220 108 G HA3 -0.152 3.810 3.960 0.002 0.000 0.220 108 G C 0.769 175.624 174.900 -0.076 0.000 1.114 108 G CA 0.489 45.595 45.100 0.011 0.000 0.757 108 G HN 0.666 nan 8.290 nan 0.000 0.559 109 Y N 0.813 121.170 120.300 0.095 0.000 2.493 109 Y HA 0.376 4.927 4.550 0.002 0.000 0.275 109 Y C 1.857 177.816 175.900 0.100 0.000 1.183 109 Y CA -0.129 58.036 58.100 0.110 0.000 1.258 109 Y CB 0.089 38.653 38.460 0.173 0.000 1.108 109 Y HN 0.374 nan 8.280 nan 0.000 0.521 110 G N 0.347 109.245 108.800 0.164 0.000 2.697 110 G HA2 -0.267 3.694 3.960 0.002 0.000 0.240 110 G HA3 -0.267 3.694 3.960 0.002 0.000 0.240 110 G C -0.736 174.239 174.900 0.124 0.000 1.346 110 G CA -0.515 44.655 45.100 0.117 0.000 0.887 110 G HN 0.172 nan 8.290 nan 0.000 0.569 111 D N 0.828 121.266 120.400 0.063 0.000 2.382 111 D HA 0.501 5.142 4.640 0.002 0.000 0.240 111 D C 1.062 177.371 176.300 0.016 0.000 1.146 111 D CA 0.878 54.891 54.000 0.021 0.000 0.897 111 D CB 0.877 41.656 40.800 -0.036 0.000 1.197 111 D HN 1.017 nan 8.370 nan 0.000 0.432 112 A N 2.264 125.095 122.820 0.017 0.000 2.511 112 A HA 0.012 4.333 4.320 0.002 0.000 0.242 112 A C 0.162 177.717 177.584 -0.049 0.000 1.069 112 A CA 0.056 52.118 52.037 0.042 0.000 0.763 112 A CB 0.023 19.047 19.000 0.040 0.000 1.001 112 A HN 0.551 nan 8.150 nan 0.000 0.498 113 H N 2.189 121.259 119.070 -0.000 0.000 2.652 113 H HA 0.398 4.955 4.556 0.002 0.000 0.233 113 H C 1.178 176.469 175.328 -0.061 0.000 1.762 113 H CA 0.987 57.019 56.048 -0.026 0.000 1.285 113 H CB -0.176 29.567 29.762 -0.031 0.000 1.668 113 H HN 1.263 nan 8.280 nan 0.000 0.550 114 G N 1.282 110.073 108.800 -0.014 0.000 2.698 114 G HA2 -0.295 3.666 3.960 0.002 0.000 0.225 114 G HA3 -0.295 3.666 3.960 0.002 0.000 0.225 114 G C 0.796 175.629 174.900 -0.111 0.000 1.345 114 G CA 0.014 45.049 45.100 -0.109 0.000 0.871 114 G HN 0.469 nan 8.290 nan 0.000 0.540 115 K N -0.087 120.178 120.400 -0.226 0.000 2.032 115 K HA -0.078 4.244 4.320 0.002 0.000 0.209 115 K C 2.741 179.315 176.600 -0.043 0.000 1.048 115 K CA 2.524 58.723 56.287 -0.148 0.000 0.927 115 K CB -0.940 31.420 32.500 -0.233 0.000 0.712 115 K HN 0.909 nan 8.250 nan 0.000 0.441 116 G N 0.988 109.760 108.800 -0.046 0.000 2.440 116 G HA2 -0.298 3.664 3.960 0.002 0.000 0.218 116 G HA3 -0.298 3.664 3.960 0.002 0.000 0.218 116 G C 1.293 176.288 174.900 0.158 0.000 1.154 116 G CA 1.125 46.264 45.100 0.065 0.000 0.767 116 G HN 0.380 nan 8.290 nan 0.000 0.552 117 D N 0.754 121.204 120.400 0.084 0.000 2.117 117 D HA 0.014 4.655 4.640 0.002 0.000 0.198 117 D C 2.824 179.217 176.300 0.155 0.000 0.982 117 D CA 1.157 55.227 54.000 0.118 0.000 0.828 117 D CB -0.365 40.494 40.800 0.098 0.000 0.967 117 D HN 0.230 nan 8.370 nan 0.000 0.464 118 A N 0.200 123.076 122.820 0.093 0.000 1.902 118 A HA -0.165 4.156 4.320 0.002 0.000 0.217 118 A C 2.358 179.996 177.584 0.090 0.000 1.181 118 A CA 1.593 53.674 52.037 0.073 0.000 0.623 118 A CB -0.567 18.461 19.000 0.046 0.000 0.818 118 A HN 0.266 nan 8.150 nan 0.000 0.443 119 M N -2.731 116.951 119.600 0.137 0.000 2.175 119 M HA -0.112 4.370 4.480 0.002 0.000 0.264 119 M C 2.054 178.422 176.300 0.114 0.000 1.063 119 M CA 1.562 56.986 55.300 0.207 0.000 1.119 119 M CB -0.309 32.360 32.600 0.114 0.000 1.377 119 M HN 0.729 nan 8.290 nan 0.000 0.415 120 W N 1.662 122.805 121.300 -0.262 0.000 2.354 120 W HA -0.140 4.521 4.660 0.002 0.000 0.315 120 W C 2.275 178.546 176.519 -0.413 0.000 1.206 120 W CA 1.560 58.461 57.345 -0.739 0.000 1.290 120 W CB -0.233 28.861 29.460 -0.610 0.000 1.152 120 W HN -0.006 nan 8.180 nan 0.000 0.489 121 R N 0.160 120.552 120.500 -0.180 0.000 2.120 121 R HA -0.114 4.228 4.340 0.002 0.000 0.234 121 R C 2.364 178.454 176.300 -0.350 0.000 1.123 121 R CA 1.377 57.268 56.100 -0.350 0.000 0.975 121 R CB -1.074 29.163 30.300 -0.105 0.000 0.866 121 R HN 0.245 nan 8.270 nan 0.000 0.446 122 A N 1.657 124.343 122.820 -0.224 0.000 1.997 122 A HA -0.176 4.146 4.320 0.002 0.000 0.221 122 A C 2.142 179.550 177.584 -0.293 0.000 1.172 122 A CA 1.329 53.232 52.037 -0.225 0.000 0.645 122 A CB -0.637 18.303 19.000 -0.100 0.000 0.813 122 A HN 0.226 nan 8.150 nan 0.000 0.454 123 L N 0.514 121.532 121.223 -0.342 0.000 2.261 123 L HA -0.191 4.151 4.340 0.002 0.000 0.216 123 L C 2.784 179.463 176.870 -0.318 0.000 1.114 123 L CA 1.419 56.069 54.840 -0.317 0.000 0.777 123 L CB -0.548 41.290 42.059 -0.368 0.000 0.910 123 L HN 0.634 nan 8.230 nan 0.000 0.440 124 S N -0.547 114.921 115.700 -0.387 0.000 2.481 124 S HA -0.050 4.422 4.470 0.002 0.000 0.231 124 S C 1.368 175.801 174.600 -0.278 0.000 0.996 124 S CA 0.758 58.761 58.200 -0.328 0.000 0.942 124 S CB -0.096 62.895 63.200 -0.349 0.000 0.768 124 S HN 0.351 nan 8.310 nan 0.000 0.520 125 V N -1.012 118.708 119.914 -0.322 0.000 3.330 125 V HA 0.350 4.472 4.120 0.002 0.000 0.309 125 V C 0.398 176.364 176.094 -0.213 0.000 1.481 125 V CA -0.066 62.047 62.300 -0.312 0.000 1.068 125 V CB -0.779 30.673 31.823 -0.619 0.000 0.935 125 V HN 0.480 nan 8.190 nan 0.000 0.453 126 T N -0.665 113.774 114.554 -0.192 0.000 2.814 126 T HA 0.436 4.788 4.350 0.002 0.000 0.297 126 T C 0.719 175.366 174.700 -0.089 0.000 0.956 126 T CA -0.246 61.774 62.100 -0.133 0.000 1.123 126 T CB 1.435 70.215 68.868 -0.146 0.000 0.902 126 T HN 0.447 nan 8.240 nan 0.000 0.528 127 R N 1.960 122.425 120.500 -0.058 0.000 2.290 127 R HA 0.219 4.560 4.340 0.002 0.000 0.197 127 R C 1.478 177.763 176.300 -0.026 0.000 0.913 127 R CA -0.084 55.994 56.100 -0.037 0.000 1.040 127 R CB 0.330 30.618 30.300 -0.021 0.000 0.992 127 R HN 0.804 nan 8.270 nan 0.000 0.500 128 G N 0.489 109.272 108.800 -0.028 0.000 2.527 128 G HA2 -0.022 3.939 3.960 0.002 0.000 0.248 128 G HA3 -0.022 3.939 3.960 0.002 0.000 0.248 128 G C 0.044 174.942 174.900 -0.004 0.000 1.231 128 G CA -0.489 44.601 45.100 -0.017 0.000 0.838 128 G HN 0.013 nan 8.290 nan 0.000 0.570 129 D N 0.102 120.503 120.400 0.002 0.000 2.144 129 D HA -0.067 4.575 4.640 0.002 0.000 0.200 129 D C 0.984 177.297 176.300 0.022 0.000 0.978 129 D CA 1.012 55.018 54.000 0.010 0.000 0.833 129 D CB 0.255 41.059 40.800 0.006 0.000 0.961 129 D HN 0.134 nan 8.370 nan 0.000 0.470 130 L N 1.099 122.333 121.223 0.019 0.000 2.317 130 L HA 0.343 4.685 4.340 0.002 0.000 0.281 130 L C -0.463 176.428 176.870 0.035 0.000 1.024 130 L CA -0.714 54.148 54.840 0.036 0.000 0.810 130 L CB 2.768 44.838 42.059 0.019 0.000 1.240 130 L HN -0.325 nan 8.230 nan 0.000 0.427 131 V N 4.392 124.369 119.914 0.106 0.000 2.370 131 V HA 0.341 4.463 4.120 0.002 0.000 0.283 131 V C -0.386 175.690 176.094 -0.030 0.000 1.023 131 V CA -0.506 61.799 62.300 0.009 0.000 0.857 131 V CB 1.888 33.738 31.823 0.046 0.000 0.985 131 V HN 0.434 nan 8.190 nan 0.000 0.443 132 L N 6.877 127.973 121.223 -0.212 0.000 2.318 132 L HA 0.585 4.927 4.340 0.002 0.000 0.277 132 L C -0.997 175.651 176.870 -0.370 0.000 1.008 132 L CA -0.069 54.652 54.840 -0.197 0.000 0.846 132 L CB 0.846 42.852 42.059 -0.088 0.000 1.220 132 L HN 0.523 nan 8.230 nan 0.000 0.423 133 Y N 5.593 125.658 120.300 -0.391 0.000 2.319 133 Y HA 0.592 5.143 4.550 0.002 0.000 0.328 133 Y C 0.199 175.936 175.900 -0.271 0.000 1.133 133 Y CA 0.065 57.908 58.100 -0.428 0.000 1.265 133 Y CB 0.933 38.922 38.460 -0.784 0.000 1.218 133 Y HN 0.454 nan 8.280 nan 0.000 0.508 134 I N 2.422 122.994 120.570 0.003 0.000 2.769 134 I HA 0.238 4.410 4.170 0.002 0.000 0.298 134 I C -1.069 175.075 176.117 0.045 0.000 1.128 134 I CA -1.170 60.154 61.300 0.041 0.000 1.031 134 I CB 2.054 40.075 38.000 0.036 0.000 1.235 134 I HN 0.425 nan 8.210 nan 0.000 0.423 135 D N 3.033 123.478 120.400 0.074 0.000 2.350 135 D HA 0.314 4.956 4.640 0.002 0.000 0.249 135 D C 0.513 176.813 176.300 -0.001 0.000 1.119 135 D CA 0.056 54.089 54.000 0.056 0.000 0.886 135 D CB 1.964 42.813 40.800 0.081 0.000 1.195 135 D HN 0.651 nan 8.370 nan 0.000 0.437 136 A N 2.202 125.010 122.820 -0.021 0.000 2.275 136 A HA -0.028 4.294 4.320 0.002 0.000 0.212 136 A C 0.998 178.545 177.584 -0.062 0.000 1.201 136 A CA 0.092 52.084 52.037 -0.075 0.000 0.843 136 A CB 0.068 19.029 19.000 -0.065 0.000 0.873 136 A HN 0.506 nan 8.150 nan 0.000 0.492 137 D N -1.312 119.077 120.400 -0.018 0.000 2.398 137 D HA 0.016 4.657 4.640 0.002 0.000 0.210 137 D C -0.149 176.152 176.300 0.002 0.000 1.094 137 D CA 0.182 54.177 54.000 -0.008 0.000 0.839 137 D CB -0.863 39.944 40.800 0.012 0.000 0.963 137 D HN 0.044 nan 8.370 nan 0.000 0.506 138 T N 1.504 116.069 114.554 0.019 0.000 2.829 138 T HA 0.107 4.459 4.350 0.002 0.000 0.293 138 T C 1.170 175.900 174.700 0.049 0.000 0.970 138 T CA -0.148 61.983 62.100 0.053 0.000 1.168 138 T CB 1.511 70.481 68.868 0.169 0.000 0.911 138 T HN -0.002 nan 8.240 nan 0.000 0.535 139 R N 2.219 122.734 120.500 0.026 0.000 2.127 139 R HA -0.025 4.316 4.340 0.002 0.000 0.219 139 R C 1.018 177.344 176.300 0.044 0.000 1.133 139 R CA 0.968 57.081 56.100 0.021 0.000 0.890 139 R CB -0.202 30.102 30.300 0.007 0.000 0.804 139 R HN 0.551 nan 8.270 nan 0.000 0.443 140 D N 0.600 121.017 120.400 0.030 0.000 2.483 140 D HA -0.005 4.636 4.640 0.002 0.000 0.220 140 D C -1.227 175.100 176.300 0.045 0.000 1.173 140 D CA -0.249 53.771 54.000 0.033 0.000 0.964 140 D CB -0.308 40.492 40.800 0.001 0.000 1.046 140 D HN -0.029 nan 8.370 nan 0.000 0.517 141 F N 3.619 123.531 119.950 -0.063 0.000 2.462 141 F HA 0.299 4.827 4.527 0.002 0.000 0.360 141 F C 0.351 176.113 175.800 -0.063 0.000 1.134 141 F CA -0.576 57.379 58.000 -0.075 0.000 1.148 141 F CB 0.219 39.175 39.000 -0.073 0.000 1.147 141 F HN 0.087 nan 8.300 nan 0.000 0.550 142 R N 7.360 127.584 120.500 -0.459 0.000 2.500 142 R HA 0.298 4.639 4.340 0.002 0.000 0.277 142 R C -1.524 174.447 176.300 -0.549 0.000 1.026 142 R CA -1.630 54.257 56.100 -0.355 0.000 1.058 142 R CB 0.184 30.317 30.300 -0.278 0.000 1.078 142 R HN 0.364 nan 8.270 nan 0.000 0.509 143 P HA -0.218 nan 4.420 nan 0.000 0.220 143 P C 0.404 177.627 177.300 -0.128 0.000 1.148 143 P CA 1.216 64.299 63.100 -0.028 0.000 0.803 143 P CB 0.282 32.090 31.700 0.180 0.000 0.782 144 Q N -0.384 119.164 119.800 -0.420 0.000 2.436 144 Q HA -0.045 4.297 4.340 0.002 0.000 0.209 144 Q C 1.743 177.286 176.000 -0.761 0.000 0.965 144 Q CA 0.725 55.910 55.803 -1.030 0.000 0.910 144 Q CB -1.002 27.053 28.738 -1.138 0.000 0.980 144 Q HN 0.215 nan 8.270 nan 0.000 0.491 145 L N 0.786 121.600 121.223 -0.681 0.000 2.456 145 L HA -0.011 4.331 4.340 0.002 0.000 0.224 145 L C 2.130 178.855 176.870 -0.242 0.000 1.148 145 L CA 1.400 55.909 54.840 -0.552 0.000 0.825 145 L CB -0.259 41.274 42.059 -0.877 0.000 0.937 145 L HN 0.338 nan 8.230 nan 0.000 0.450 146 A N -1.254 121.471 122.820 -0.158 0.000 1.938 146 A HA -0.037 4.285 4.320 0.002 0.000 0.207 146 A C 1.944 179.557 177.584 0.048 0.000 1.292 146 A CA 0.688 52.782 52.037 0.094 0.000 0.700 146 A CB -0.561 18.599 19.000 0.267 0.000 0.947 146 A HN 0.448 nan 8.150 nan 0.000 0.476 147 Y N -0.718 119.593 120.300 0.017 0.000 2.517 147 Y HA 0.356 4.908 4.550 0.003 0.000 0.281 147 Y C 1.927 177.842 175.900 0.025 0.000 1.125 147 Y CA 0.214 58.327 58.100 0.023 0.000 1.283 147 Y CB -1.006 37.479 38.460 0.042 0.000 1.042 147 Y HN 0.096 nan 8.280 nan 0.000 0.547 148 G N 1.651 110.218 108.800 -0.389 0.000 2.446 148 G HA2 -0.291 3.671 3.960 0.002 0.000 0.217 148 G HA3 -0.291 3.671 3.960 0.002 0.000 0.217 148 G C 1.555 176.434 174.900 -0.033 0.000 1.168 148 G CA 2.237 47.241 45.100 -0.160 0.000 0.771 148 G HN 0.579 nan 8.290 nan 0.000 0.551 149 V N -0.935 118.952 119.914 -0.044 0.000 3.141 149 V HA 0.137 4.259 4.120 0.002 0.000 0.265 149 V C 2.514 178.539 176.094 -0.115 0.000 1.126 149 V CA 0.974 63.248 62.300 -0.043 0.000 1.141 149 V CB -0.446 31.385 31.823 0.012 0.000 0.743 149 V HN 0.327 nan 8.190 nan 0.000 0.492 150 L N 1.131 122.293 121.223 -0.102 0.000 2.291 150 L HA 0.135 4.477 4.340 0.002 0.000 0.214 150 L C 2.766 179.449 176.870 -0.311 0.000 1.120 150 L CA 1.055 55.819 54.840 -0.127 0.000 0.799 150 L CB -1.145 40.898 42.059 -0.027 0.000 0.925 150 L HN 0.469 nan 8.230 nan 0.000 0.446 151 G N 1.679 110.120 108.800 -0.598 0.000 2.586 151 G HA2 -0.252 3.710 3.960 0.002 0.000 0.218 151 G HA3 -0.252 3.710 3.960 0.002 0.000 0.218 151 G C -0.736 173.451 174.900 -1.189 0.000 1.216 151 G CA 0.990 45.190 45.100 -1.499 0.000 0.786 151 G HN 0.307 nan 8.290 nan 0.000 0.583 152 P HA -0.015 nan 4.420 nan 0.000 0.219 152 P C 2.244 179.384 177.300 -0.267 0.000 1.150 152 P CA 1.629 64.388 63.100 -0.567 0.000 0.814 152 P CB -0.240 31.207 31.700 -0.420 0.000 0.787 153 V N -2.279 117.512 119.914 -0.206 0.000 2.358 153 V HA -0.197 3.925 4.120 0.002 0.000 0.246 153 V C 2.282 178.321 176.094 -0.092 0.000 1.047 153 V CA 1.648 63.889 62.300 -0.098 0.000 1.035 153 V CB -1.809 29.976 31.823 -0.064 0.000 0.658 153 V HN 0.026 nan 8.190 nan 0.000 0.452 154 L N -0.489 120.655 121.223 -0.131 0.000 2.179 154 L HA 0.020 4.362 4.340 0.002 0.000 0.208 154 L C 2.678 179.509 176.870 -0.065 0.000 1.096 154 L CA 1.538 56.327 54.840 -0.084 0.000 0.779 154 L CB -0.340 41.671 42.059 -0.080 0.000 0.922 154 L HN 0.381 nan 8.230 nan 0.000 0.443 155 E N -1.010 119.131 120.200 -0.100 0.000 2.290 155 E HA 0.093 4.444 4.350 0.002 0.000 0.199 155 E C 0.177 176.767 176.600 -0.016 0.000 0.912 155 E CA 0.024 56.407 56.400 -0.029 0.000 0.924 155 E CB 0.850 30.581 29.700 0.052 0.000 0.901 155 E HN 0.065 nan 8.360 nan 0.000 0.487 156 V N 4.118 123.997 119.914 -0.059 0.000 2.368 156 V HA 0.040 4.162 4.120 0.002 0.000 0.266 156 V C -1.591 174.513 176.094 0.016 0.000 1.045 156 V CA -1.079 61.217 62.300 -0.006 0.000 0.899 156 V CB 0.884 32.705 31.823 -0.004 0.000 1.006 156 V HN 0.021 nan 8.190 nan 0.000 0.470 157 P HA -0.233 nan 4.420 nan 0.000 0.212 157 P C 1.528 178.852 177.300 0.040 0.000 1.128 157 P CA 2.085 65.205 63.100 0.033 0.000 0.961 157 P CB 0.087 31.810 31.700 0.038 0.000 0.782 158 G N -1.737 107.097 108.800 0.057 0.000 2.920 158 G HA2 0.063 4.024 3.960 0.002 0.000 0.208 158 G HA3 0.063 4.024 3.960 0.002 0.000 0.208 158 G C 0.175 175.125 174.900 0.083 0.000 1.159 158 G CA -0.051 45.089 45.100 0.066 0.000 0.784 158 G HN 0.204 nan 8.290 nan 0.000 0.535 159 V N 0.956 120.921 119.914 0.086 0.000 2.470 159 V HA 0.204 4.325 4.120 0.002 0.000 0.276 159 V C 1.100 177.250 176.094 0.094 0.000 1.040 159 V CA 0.106 62.475 62.300 0.114 0.000 1.008 159 V CB 1.048 32.930 31.823 0.098 0.000 0.990 159 V HN 0.354 nan 8.190 nan 0.000 0.477 160 R N 3.303 123.883 120.500 0.134 0.000 2.344 160 R HA 0.291 4.633 4.340 0.002 0.000 0.209 160 R C -0.314 176.093 176.300 0.178 0.000 0.886 160 R CA 0.152 56.319 56.100 0.112 0.000 1.040 160 R CB 0.807 31.157 30.300 0.084 0.000 1.114 160 R HN 0.584 nan 8.270 nan 0.000 0.547 161 F N 0.899 120.887 119.950 0.064 0.000 2.588 161 F HA 0.406 4.934 4.527 0.002 0.000 0.318 161 F C -1.562 174.355 175.800 0.195 0.000 1.155 161 F CA -0.973 57.085 58.000 0.096 0.000 0.967 161 F CB 1.632 40.660 39.000 0.047 0.000 1.236 161 F HN -0.399 nan 8.300 nan 0.000 0.455 162 V N 5.465 125.207 119.914 -0.287 0.000 2.531 162 V HA 0.482 4.603 4.120 0.002 0.000 0.301 162 V C -0.659 175.328 176.094 -0.179 0.000 1.034 162 V CA -0.861 61.395 62.300 -0.073 0.000 0.865 162 V CB 1.746 33.565 31.823 -0.006 0.000 0.995 162 V HN 0.697 nan 8.190 nan 0.000 0.424 163 K N 2.996 123.464 120.400 0.113 0.000 2.123 163 K HA 0.827 5.149 4.320 0.002 0.000 0.259 163 K C 0.053 176.804 176.600 0.251 0.000 0.960 163 K CA -0.125 56.284 56.287 0.203 0.000 0.872 163 K CB 1.744 34.452 32.500 0.346 0.000 1.079 163 K HN 0.888 nan 8.250 nan 0.000 0.440 164 A N 1.791 124.754 122.820 0.239 0.000 2.386 164 A HA 0.641 4.962 4.320 0.002 0.000 0.248 164 A C -0.630 177.013 177.584 0.099 0.000 1.082 164 A CA 0.057 52.221 52.037 0.211 0.000 0.789 164 A CB 0.311 19.502 19.000 0.319 0.000 1.025 164 A HN 0.759 nan 8.150 nan 0.000 0.490 165 A N 0.444 123.300 122.820 0.060 0.000 2.454 165 A HA 0.946 5.267 4.320 0.002 0.000 0.302 165 A C -0.845 176.713 177.584 -0.044 0.000 1.079 165 A CA -0.380 51.591 52.037 -0.110 0.000 0.731 165 A CB 1.025 20.046 19.000 0.036 0.000 1.299 165 A HN 2.016 nan 8.150 nan 0.000 0.413 166 Y N -1.653 118.706 120.300 0.099 0.000 2.891 166 Y HA 0.700 5.252 4.550 0.002 0.000 0.361 166 Y C -0.911 175.029 175.900 0.066 0.000 1.255 166 Y CA -1.137 57.002 58.100 0.064 0.000 1.103 166 Y CB 0.597 39.073 38.460 0.027 0.000 1.454 166 Y HN 0.966 nan 8.280 nan 0.000 0.449 167 R N 1.358 122.065 120.500 0.345 0.000 2.686 167 R HA 0.698 5.039 4.340 0.002 0.000 0.283 167 R C -1.187 175.219 176.300 0.177 0.000 0.978 167 R CA -1.098 55.136 56.100 0.223 0.000 0.897 167 R CB 2.170 32.552 30.300 0.137 0.000 1.192 167 R HN 0.936 nan 8.270 nan 0.000 0.457 168 R N 2.528 123.118 120.500 0.150 0.000 2.522 168 R HA 0.218 4.559 4.340 0.002 0.000 0.284 168 R C -2.135 174.199 176.300 0.058 0.000 1.032 168 R CA -1.102 55.053 56.100 0.093 0.000 1.049 168 R CB -0.304 30.050 30.300 0.091 0.000 0.956 168 R HN 0.379 nan 8.270 nan 0.000 0.422 178 E N 3.348 123.572 120.200 0.039 0.000 2.466 178 E HA 0.231 4.582 4.350 0.002 0.000 0.308 178 E C -1.684 174.946 176.600 0.049 0.000 0.933 178 E CA -0.553 55.873 56.400 0.043 0.000 0.800 178 E CB 0.775 30.495 29.700 0.034 0.000 1.434 178 E HN 0.274 nan 8.360 nan 0.000 0.389 179 D N 2.527 122.964 120.400 0.062 0.000 2.280 179 D HA 0.397 5.039 4.640 0.002 0.000 0.236 179 D C 0.358 176.697 176.300 0.066 0.000 1.082 179 D CA -0.310 53.732 54.000 0.070 0.000 0.834 179 D CB 1.454 42.309 40.800 0.091 0.000 1.100 179 D HN 0.497 nan 8.370 nan 0.000 0.486 180 G N 2.172 111.007 108.800 0.058 0.000 3.690 180 G HA2 0.546 4.507 3.960 0.002 0.000 0.283 180 G HA3 0.546 4.507 3.960 0.002 0.000 0.283 180 G C 0.604 175.533 174.900 0.048 0.000 1.057 180 G CA 0.076 45.208 45.100 0.053 0.000 0.821 180 G HN 0.852 nan 8.290 nan 0.000 0.526 181 G N -1.399 107.435 108.800 0.056 0.000 2.541 181 G HA2 0.429 4.390 3.960 0.002 0.000 0.686 181 G HA3 0.429 4.390 3.960 0.002 0.000 0.686 181 G C 0.392 175.329 174.900 0.062 0.000 1.286 181 G CA -0.324 44.810 45.100 0.056 0.000 0.894 181 G HN 0.977 nan 8.290 nan 0.000 0.575 182 G N -0.906 107.930 108.800 0.061 0.000 2.653 182 G HA2 0.486 4.448 3.960 0.002 0.000 0.265 182 G HA3 0.486 4.448 3.960 0.002 0.000 0.265 182 G C 1.111 176.010 174.900 -0.002 0.000 1.237 182 G CA 0.483 45.605 45.100 0.036 0.000 0.946 182 G HN 0.895 nan 8.290 nan 0.000 0.522 183 R N -1.368 119.111 120.500 -0.034 0.000 2.096 183 R HA -0.128 4.214 4.340 0.002 0.000 0.240 183 R C 2.609 178.878 176.300 -0.051 0.000 1.139 183 R CA 1.426 57.502 56.100 -0.041 0.000 0.952 183 R CB -0.607 29.653 30.300 -0.067 0.000 0.854 183 R HN 0.306 nan 8.270 nan 0.000 0.436 184 V N 0.245 120.114 119.914 -0.076 0.000 2.427 184 V HA -0.223 3.899 4.120 0.002 0.000 0.248 184 V C 2.092 178.134 176.094 -0.088 0.000 1.051 184 V CA 2.082 64.329 62.300 -0.088 0.000 1.048 184 V CB -0.485 31.267 31.823 -0.118 0.000 0.666 184 V HN 0.424 nan 8.190 nan 0.000 0.456 185 T N -0.539 113.975 114.554 -0.067 0.000 2.708 185 T HA -0.167 4.184 4.350 0.002 0.000 0.266 185 T C 1.923 176.589 174.700 -0.057 0.000 1.037 185 T CA 1.453 63.514 62.100 -0.065 0.000 1.146 185 T CB -0.188 68.668 68.868 -0.019 0.000 0.865 185 T HN 0.456 nan 8.240 nan 0.000 0.435 186 E N 0.914 121.097 120.200 -0.028 0.000 2.046 186 E HA 0.036 4.387 4.350 0.002 0.000 0.190 186 E C 2.092 178.678 176.600 -0.023 0.000 0.982 186 E CA 0.849 57.241 56.400 -0.014 0.000 0.800 186 E CB -0.141 29.561 29.700 0.003 0.000 0.756 186 E HN 0.463 nan 8.360 nan 0.000 0.449 187 L N 0.004 121.209 121.223 -0.029 0.000 2.585 187 L HA 0.116 4.457 4.340 0.002 0.000 0.226 187 L C 1.457 178.308 176.870 -0.033 0.000 1.113 187 L CA 0.399 55.226 54.840 -0.022 0.000 0.876 187 L CB 0.217 42.270 42.059 -0.009 0.000 1.072 187 L HN 0.048 nan 8.230 nan 0.000 0.468 188 T N -1.039 113.474 114.554 -0.068 0.000 3.321 188 T HA 0.215 4.566 4.350 0.002 0.000 0.251 188 T C 1.867 176.464 174.700 -0.171 0.000 0.999 188 T CA 0.526 62.574 62.100 -0.086 0.000 1.186 188 T CB 0.057 68.874 68.868 -0.085 0.000 1.163 188 T HN 0.128 nan 8.240 nan 0.000 0.399 189 A N 2.092 124.750 122.820 -0.270 0.000 1.858 189 A HA -0.054 4.268 4.320 0.002 0.000 0.216 189 A C 2.176 179.420 177.584 -0.566 0.000 1.190 189 A CA 1.773 53.461 52.037 -0.582 0.000 0.617 189 A CB -0.553 18.101 19.000 -0.577 0.000 0.827 189 A HN 0.420 nan 8.150 nan 0.000 0.443 190 K N -0.633 119.622 120.400 -0.240 0.000 2.026 190 K HA -0.098 4.223 4.320 0.002 0.000 0.208 190 K C -0.724 175.871 176.600 -0.008 0.000 1.048 190 K CA 1.754 58.007 56.287 -0.057 0.000 0.929 190 K CB -0.963 31.542 32.500 0.009 0.000 0.713 190 K HN 0.350 nan 8.250 nan 0.000 0.439 191 P HA -0.133 nan 4.420 nan 0.000 0.217 191 P C 1.074 178.384 177.300 0.017 0.000 1.150 191 P CA 1.134 64.228 63.100 -0.009 0.000 0.832 191 P CB 0.088 31.779 31.700 -0.014 0.000 0.787 192 L N -2.728 118.506 121.223 0.019 0.000 2.109 192 L HA -0.111 4.231 4.340 0.002 0.000 0.207 192 L C 2.292 179.386 176.870 0.373 0.000 1.086 192 L CA 1.095 56.041 54.840 0.177 0.000 0.760 192 L CB -0.741 41.404 42.059 0.143 0.000 0.910 192 L HN -0.076 nan 8.230 nan 0.000 0.437 193 F N 0.284 120.318 119.950 0.141 0.000 2.128 193 F HA -0.128 4.401 4.527 0.003 0.000 0.295 193 F C 2.534 178.381 175.800 0.078 0.000 1.100 193 F CA 0.704 58.798 58.000 0.157 0.000 1.260 193 F CB -1.181 37.880 39.000 0.103 0.000 1.009 193 F HN 0.152 nan 8.300 nan 0.000 0.476 194 N N 0.531 119.365 118.700 0.223 0.000 2.094 194 N HA -0.215 4.526 4.740 0.002 0.000 0.191 194 N C 2.092 177.591 175.510 -0.019 0.000 1.023 194 N CA 1.264 54.362 53.050 0.079 0.000 0.857 194 N CB -0.408 38.100 38.487 0.035 0.000 1.013 194 N HN 0.278 nan 8.380 nan 0.000 0.426 195 L N -0.774 120.387 121.223 -0.102 0.000 2.068 195 L HA -0.023 4.319 4.340 0.002 0.000 0.204 195 L C 1.339 177.949 176.870 -0.435 0.000 1.076 195 L CA 1.119 55.741 54.840 -0.364 0.000 0.753 195 L CB 0.010 41.678 42.059 -0.651 0.000 0.910 195 L HN -0.009 nan 8.230 nan 0.000 0.439 196 F N -2.358 117.560 119.950 -0.054 0.000 2.653 196 F HA 0.153 4.681 4.527 0.002 0.000 0.288 196 F C 0.128 175.575 175.800 -0.588 0.000 1.121 196 F CA -0.146 57.679 58.000 -0.291 0.000 1.384 196 F CB 0.280 39.110 39.000 -0.283 0.000 1.115 196 F HN -0.122 nan 8.300 nan 0.000 0.599 197 Y N 0.554 120.947 120.300 0.156 0.000 2.470 197 Y HA 0.318 4.870 4.550 0.002 0.000 0.352 197 Y C -1.843 174.012 175.900 -0.075 0.000 0.967 197 Y CA -2.742 55.336 58.100 -0.036 0.000 1.121 197 Y CB -0.082 38.242 38.460 -0.228 0.000 1.149 197 Y HN -0.161 nan 8.280 nan 0.000 0.641 198 P HA -0.206 nan 4.420 nan 0.000 0.218 198 P C 0.616 177.915 177.300 -0.003 0.000 1.146 198 P CA 1.551 64.665 63.100 0.025 0.000 0.813 198 P CB 0.508 32.203 31.700 -0.007 0.000 0.778 199 E N 0.120 120.300 120.200 -0.033 0.000 2.233 199 E HA -0.151 4.200 4.350 0.002 0.000 0.199 199 E C 1.801 178.296 176.600 -0.175 0.000 1.004 199 E CA 0.984 57.324 56.400 -0.101 0.000 0.819 199 E CB -0.902 28.733 29.700 -0.109 0.000 0.738 199 E HN 0.347 nan 8.360 nan 0.000 0.478 200 L N -0.401 120.736 121.223 -0.143 0.000 2.607 200 L HA 0.292 4.633 4.340 0.002 0.000 0.228 200 L C 1.864 178.815 176.870 0.135 0.000 1.123 200 L CA 0.072 54.850 54.840 -0.104 0.000 0.890 200 L CB 0.033 41.770 42.059 -0.536 0.000 1.103 200 L HN 0.112 nan 8.230 nan 0.000 0.468 201 A N 0.498 123.381 122.820 0.104 0.000 2.121 201 A HA -0.007 4.314 4.320 0.002 0.000 0.218 201 A C 2.254 179.946 177.584 0.181 0.000 1.154 201 A CA 1.311 53.448 52.037 0.167 0.000 0.679 201 A CB -0.604 18.456 19.000 0.100 0.000 0.795 201 A HN 0.414 nan 8.150 nan 0.000 0.458 202 G N -1.292 107.612 108.800 0.173 0.000 2.534 202 G HA2 0.133 4.095 3.960 0.002 0.000 0.217 202 G HA3 0.133 4.095 3.960 0.002 0.000 0.217 202 G C 0.302 175.487 174.900 0.475 0.000 1.128 202 G CA -0.166 45.145 45.100 0.352 0.000 0.784 202 G HN 0.357 nan 8.290 nan 0.000 0.542 203 F N 0.460 120.596 119.950 0.310 0.000 2.467 203 F HA 0.234 4.762 4.527 0.002 0.000 0.362 203 F C 1.478 177.423 175.800 0.242 0.000 1.090 203 F CA -0.493 57.700 58.000 0.322 0.000 1.202 203 F CB 1.746 40.862 39.000 0.194 0.000 1.113 203 F HN -0.188 nan 8.300 nan 0.000 0.541 204 V N 1.683 121.819 119.914 0.370 0.000 2.379 204 V HA -0.163 3.959 4.120 0.002 0.000 0.245 204 V C 0.908 177.073 176.094 0.117 0.000 1.044 204 V CA 1.400 63.827 62.300 0.212 0.000 1.036 204 V CB -0.443 31.470 31.823 0.149 0.000 0.664 204 V HN 0.645 nan 8.190 nan 0.000 0.453 205 Q N -0.174 119.683 119.800 0.096 0.000 2.943 205 Q HA 0.243 4.585 4.340 0.002 0.000 0.327 205 Q C -1.944 174.105 176.000 0.082 0.000 0.937 205 Q CA -1.475 54.318 55.803 -0.015 0.000 0.914 205 Q CB 1.204 29.736 28.738 -0.344 0.000 1.339 205 Q HN 0.408 nan 8.270 nan 0.000 0.417 206 P HA -0.107 nan 4.420 nan 0.000 0.222 206 P C 0.836 178.145 177.300 0.015 0.000 1.147 206 P CA 0.891 64.036 63.100 0.075 0.000 0.790 206 P CB 0.393 32.233 31.700 0.234 0.000 0.780 207 L N -1.406 119.835 121.223 0.030 0.000 2.653 207 L HA 0.309 4.650 4.340 0.002 0.000 0.231 207 L C 1.113 178.042 176.870 0.097 0.000 1.153 207 L CA -0.664 54.191 54.840 0.026 0.000 0.933 207 L CB -0.538 41.522 42.059 0.001 0.000 1.175 207 L HN -0.159 nan 8.230 nan 0.000 0.473 208 A N 0.433 123.333 122.820 0.132 0.000 2.531 208 A HA 0.300 4.622 4.320 0.002 0.000 0.236 208 A C 1.491 179.284 177.584 0.349 0.000 1.062 208 A CA 0.619 52.812 52.037 0.259 0.000 0.760 208 A CB 0.372 19.527 19.000 0.258 0.000 0.995 208 A HN 0.403 nan 8.150 nan 0.000 0.501 209 G N 1.031 110.034 108.800 0.338 0.000 2.572 209 G HA2 0.086 4.048 3.960 0.002 0.000 0.216 209 G HA3 0.086 4.048 3.960 0.002 0.000 0.216 209 G C 0.349 175.422 174.900 0.289 0.000 1.133 209 G CA 0.534 45.825 45.100 0.317 0.000 0.791 209 G HN 0.825 nan 8.290 nan 0.000 0.538 210 E N 0.802 121.194 120.200 0.320 0.000 2.115 210 E HA 0.503 4.855 4.350 0.002 0.000 0.282 210 E C -0.771 176.014 176.600 0.308 0.000 0.987 210 E CA -0.946 55.575 56.400 0.202 0.000 0.797 210 E CB 0.545 30.352 29.700 0.177 0.000 1.086 210 E HN 0.372 nan 8.360 nan 0.000 0.397 211 F N -0.255 119.768 119.950 0.121 0.000 2.741 211 F HA 0.690 5.218 4.527 0.002 0.000 0.311 211 F C -1.767 174.085 175.800 0.088 0.000 1.149 211 F CA -1.381 56.622 58.000 0.004 0.000 0.930 211 F CB 1.333 40.268 39.000 -0.108 0.000 1.312 211 F HN 0.209 nan 8.300 nan 0.000 0.450 212 V N 1.079 121.071 119.914 0.130 0.000 2.971 212 V HA 0.990 5.111 4.120 0.002 0.000 0.309 212 V C -1.410 174.768 176.094 0.140 0.000 1.130 212 V CA -0.002 62.398 62.300 0.168 0.000 0.964 212 V CB 1.534 33.384 31.823 0.045 0.000 1.029 212 V HN 1.930 nan 8.190 nan 0.000 0.427 213 A N 3.890 126.837 122.820 0.211 0.000 2.599 213 A HA 0.696 5.017 4.320 0.002 0.000 0.290 213 A C -1.103 176.459 177.584 -0.038 0.000 1.101 213 A CA -0.380 51.622 52.037 -0.060 0.000 0.674 213 A CB 1.325 20.084 19.000 -0.402 0.000 1.277 213 A HN 1.010 nan 8.150 nan 0.000 0.419 214 D N 0.247 120.611 120.400 -0.060 0.000 2.400 214 D HA 0.045 4.686 4.640 0.002 0.000 0.238 214 D C 0.844 177.163 176.300 0.032 0.000 1.157 214 D CA -0.226 53.773 54.000 -0.002 0.000 0.889 214 D CB 1.104 41.901 40.800 -0.004 0.000 1.199 214 D HN 0.713 nan 8.370 nan 0.000 0.436 215 R N 0.509 121.065 120.500 0.093 0.000 2.105 215 R HA -0.179 4.162 4.340 0.002 0.000 0.239 215 R C 1.757 178.136 176.300 0.132 0.000 1.135 215 R CA 1.167 57.362 56.100 0.157 0.000 0.967 215 R CB 0.008 30.360 30.300 0.087 0.000 0.861 215 R HN 0.437 nan 8.270 nan 0.000 0.442 216 E N 0.473 120.713 120.200 0.066 0.000 2.153 216 E HA -0.178 4.173 4.350 0.002 0.000 0.194 216 E C 1.781 178.420 176.600 0.064 0.000 0.988 216 E CA 0.768 57.202 56.400 0.057 0.000 0.811 216 E CB -0.126 29.593 29.700 0.032 0.000 0.746 216 E HN 0.258 nan 8.360 nan 0.000 0.466 217 L N -0.090 121.143 121.223 0.017 0.000 2.005 217 L HA -0.100 4.242 4.340 0.002 0.000 0.207 217 L C 2.054 178.983 176.870 0.098 0.000 1.072 217 L CA 1.605 56.434 54.840 -0.018 0.000 0.744 217 L CB -0.942 41.027 42.059 -0.150 0.000 0.895 217 L HN -0.040 nan 8.230 nan 0.000 0.433 218 F N -0.413 119.693 119.950 0.260 0.000 2.161 218 F HA -0.204 4.325 4.527 0.003 0.000 0.300 218 F C 2.702 178.697 175.800 0.325 0.000 1.089 218 F CA 1.198 59.438 58.000 0.399 0.000 1.282 218 F CB -1.557 37.728 39.000 0.474 0.000 1.010 218 F HN 0.164 nan 8.300 nan 0.000 0.485 219 C N -0.227 119.276 119.300 0.339 0.000 2.491 219 C HA -0.007 4.455 4.460 0.002 0.000 0.277 219 C C 2.166 177.262 174.990 0.178 0.000 1.455 219 C CA 1.116 60.241 59.018 0.179 0.000 1.758 219 C CB -1.908 25.882 27.740 0.083 0.000 1.745 219 C HN 0.504 nan 8.230 nan 0.000 0.558 220 S N -0.248 115.574 115.700 0.203 0.000 2.819 220 S HA 0.381 4.853 4.470 0.002 0.000 0.249 220 S C 0.001 174.697 174.600 0.161 0.000 1.030 220 S CA -0.467 57.823 58.200 0.150 0.000 1.052 220 S CB -0.444 62.813 63.200 0.094 0.000 1.017 220 S HN 0.631 nan 8.310 nan 0.000 0.576 221 I N -1.276 119.444 120.570 0.250 0.000 2.740 221 I HA 0.739 4.911 4.170 0.002 0.000 0.303 221 I C -2.998 173.314 176.117 0.325 0.000 1.044 221 I CA -3.014 58.416 61.300 0.218 0.000 1.064 221 I CB 2.030 40.129 38.000 0.166 0.000 1.249 221 I HN -0.215 nan 8.210 nan 0.000 0.433 222 P HA 0.299 nan 4.420 nan 0.000 0.274 222 P C -1.389 176.083 177.300 0.287 0.000 1.256 222 P CA 0.053 63.264 63.100 0.186 0.000 0.795 222 P CB 0.677 32.394 31.700 0.028 0.000 1.038 223 F N -0.171 119.674 119.950 -0.175 0.000 2.507 223 F HA 0.372 4.901 4.527 0.002 0.000 0.328 223 F C 0.382 176.038 175.800 -0.240 0.000 1.136 223 F CA -0.785 57.121 58.000 -0.156 0.000 0.930 223 F CB 1.106 40.041 39.000 -0.109 0.000 1.166 223 F HN 0.048 nan 8.300 nan 0.000 0.436 224 L N 3.565 124.734 121.223 -0.089 0.000 2.416 224 L HA 0.268 4.609 4.340 0.002 0.000 0.272 224 L C 0.955 177.778 176.870 -0.078 0.000 1.161 224 L CA -0.245 54.527 54.840 -0.113 0.000 0.845 224 L CB 0.641 42.623 42.059 -0.129 0.000 1.119 224 L HN 0.720 nan 8.230 nan 0.000 0.464 225 T N 0.036 114.530 114.554 -0.100 0.000 2.771 225 T HA 0.630 4.981 4.350 0.002 0.000 0.290 225 T C 0.739 175.394 174.700 -0.075 0.000 1.005 225 T CA -0.030 62.031 62.100 -0.065 0.000 0.944 225 T CB 1.404 70.237 68.868 -0.059 0.000 1.147 225 T HN 0.990 nan 8.240 nan 0.000 0.534 226 G N 0.210 108.953 108.800 -0.094 0.000 2.575 226 G HA2 -0.272 3.690 3.960 0.002 0.000 0.267 226 G HA3 -0.272 3.690 3.960 0.002 0.000 0.267 226 G C 0.126 174.892 174.900 -0.225 0.000 1.264 226 G CA 0.554 45.547 45.100 -0.179 0.000 0.935 226 G HN 0.856 nan 8.290 nan 0.000 0.568 227 Y N 1.125 121.397 120.300 -0.046 0.000 2.546 227 Y HA 0.381 4.933 4.550 0.003 0.000 0.287 227 Y C 2.826 178.679 175.900 -0.078 0.000 1.158 227 Y CA 1.393 59.459 58.100 -0.056 0.000 1.307 227 Y CB -0.150 38.271 38.460 -0.065 0.000 1.036 227 Y HN 0.721 nan 8.280 nan 0.000 0.532 228 A N -0.930 121.899 122.820 0.016 0.000 2.238 228 A HA 0.016 4.338 4.320 0.002 0.000 0.208 228 A C 2.270 179.806 177.584 -0.081 0.000 1.177 228 A CA 0.805 52.814 52.037 -0.047 0.000 0.804 228 A CB -0.788 18.158 19.000 -0.090 0.000 0.823 228 A HN 0.292 nan 8.150 nan 0.000 0.482 229 V N 0.443 120.310 119.914 -0.079 0.000 2.343 229 V HA -0.219 3.902 4.120 0.002 0.000 0.247 229 V C 2.308 178.284 176.094 -0.196 0.000 1.051 229 V CA 2.682 64.896 62.300 -0.143 0.000 1.036 229 V CB -0.439 31.321 31.823 -0.106 0.000 0.654 229 V HN 0.658 nan 8.190 nan 0.000 0.451 230 E N -0.242 119.883 120.200 -0.125 0.000 2.077 230 E HA -0.176 4.175 4.350 0.002 0.000 0.193 230 E C 2.234 178.722 176.600 -0.186 0.000 0.989 230 E CA 1.885 58.182 56.400 -0.170 0.000 0.800 230 E CB -1.049 28.608 29.700 -0.072 0.000 0.746 230 E HN 0.626 nan 8.360 nan 0.000 0.452 231 T N 1.052 115.543 114.554 -0.106 0.000 2.684 231 T HA -0.129 4.222 4.350 0.002 0.000 0.267 231 T C 1.952 176.570 174.700 -0.136 0.000 1.036 231 T CA 1.715 63.793 62.100 -0.037 0.000 1.148 231 T CB -0.686 68.162 68.868 -0.033 0.000 0.863 231 T HN 0.435 nan 8.240 nan 0.000 0.436 232 G N 1.190 109.879 108.800 -0.184 0.000 2.440 232 G HA2 -0.154 3.807 3.960 0.002 0.000 0.218 232 G HA3 -0.154 3.807 3.960 0.002 0.000 0.218 232 G C 1.548 176.261 174.900 -0.311 0.000 1.154 232 G CA 0.594 45.554 45.100 -0.233 0.000 0.767 232 G HN 0.499 nan 8.290 nan 0.000 0.552 233 I N 0.404 120.757 120.570 -0.363 0.000 2.252 233 I HA -0.164 4.007 4.170 0.002 0.000 0.245 233 I C 2.897 178.724 176.117 -0.484 0.000 1.102 233 I CA 0.743 61.797 61.300 -0.410 0.000 1.385 233 I CB -0.243 37.502 38.000 -0.426 0.000 1.064 233 I HN 0.114 nan 8.210 nan 0.000 0.414 234 M N 0.478 119.780 119.600 -0.497 0.000 2.073 234 M HA -0.219 4.262 4.480 0.002 0.000 0.258 234 M C 2.460 178.378 176.300 -0.638 0.000 1.070 234 M CA 2.067 56.995 55.300 -0.620 0.000 1.103 234 M CB -1.017 31.266 32.600 -0.528 0.000 1.321 234 M HN 0.209 nan 8.290 nan 0.000 0.405 235 I N -0.063 120.152 120.570 -0.593 0.000 2.226 235 I HA -0.293 3.878 4.170 0.002 0.000 0.245 235 I C 1.870 177.710 176.117 -0.462 0.000 1.100 235 I CA 1.128 62.028 61.300 -0.667 0.000 1.374 235 I CB -0.613 36.941 38.000 -0.742 0.000 1.057 235 I HN 0.249 nan 8.210 nan 0.000 0.413 236 D N 0.420 120.596 120.400 -0.374 0.000 2.183 236 D HA -0.086 4.556 4.640 0.002 0.000 0.203 236 D C 2.390 178.528 176.300 -0.270 0.000 0.969 236 D CA 0.991 54.833 54.000 -0.262 0.000 0.842 236 D CB -0.083 40.598 40.800 -0.197 0.000 0.957 236 D HN 0.159 nan 8.370 nan 0.000 0.484 237 V N 1.365 121.045 119.914 -0.391 0.000 2.323 237 V HA -0.182 3.939 4.120 0.002 0.000 0.244 237 V C 2.478 178.354 176.094 -0.363 0.000 1.041 237 V CA 0.850 62.890 62.300 -0.433 0.000 1.025 237 V CB -0.436 30.896 31.823 -0.818 0.000 0.656 237 V HN 0.117 nan 8.190 nan 0.000 0.451 238 L N 0.716 121.691 121.223 -0.413 0.000 2.021 238 L HA -0.267 4.074 4.340 0.002 0.000 0.215 238 L C 2.329 179.081 176.870 -0.197 0.000 1.074 238 L CA 2.182 56.838 54.840 -0.305 0.000 0.760 238 L CB -0.788 41.056 42.059 -0.358 0.000 0.889 238 L HN 0.241 nan 8.230 nan 0.000 0.433 239 K N -0.785 119.500 120.400 -0.191 0.000 2.148 239 K HA -0.196 4.125 4.320 0.002 0.000 0.204 239 K C 2.157 178.704 176.600 -0.088 0.000 1.050 239 K CA 1.531 57.750 56.287 -0.114 0.000 0.942 239 K CB -0.114 32.324 32.500 -0.102 0.000 0.724 239 K HN 0.268 nan 8.250 nan 0.000 0.446 240 K N 0.883 121.220 120.400 -0.106 0.000 2.021 240 K HA -0.088 4.233 4.320 0.002 0.000 0.205 240 K C 1.759 178.325 176.600 -0.056 0.000 1.047 240 K CA 1.333 57.577 56.287 -0.071 0.000 0.943 240 K CB 0.230 32.686 32.500 -0.074 0.000 0.725 240 K HN 0.090 nan 8.250 nan 0.000 0.439 241 V N -3.114 116.756 119.914 -0.073 0.000 3.565 241 V HA 0.443 4.565 4.120 0.002 0.000 0.260 241 V C 0.631 176.715 176.094 -0.017 0.000 1.231 241 V CA 0.222 62.502 62.300 -0.035 0.000 1.100 241 V CB -0.457 31.352 31.823 -0.023 0.000 0.807 241 V HN 0.409 nan 8.190 nan 0.000 0.454 242 G N 0.334 109.108 108.800 -0.043 0.000 2.712 242 G HA2 -0.129 3.832 3.960 0.002 0.000 0.686 242 G HA3 -0.129 3.832 3.960 0.002 0.000 0.686 242 G C -0.306 174.589 174.900 -0.009 0.000 1.321 242 G CA -0.096 44.989 45.100 -0.025 0.000 0.813 242 G HN 0.683 nan 8.290 nan 0.000 0.599 243 L N 1.981 123.188 121.223 -0.027 0.000 2.046 243 L HA 0.163 4.505 4.340 0.002 0.000 0.208 243 L C 2.851 179.811 176.870 0.150 0.000 1.077 243 L CA 3.521 58.325 54.840 -0.061 0.000 0.747 243 L CB -0.967 40.999 42.059 -0.155 0.000 0.896 243 L HN 1.334 nan 8.230 nan 0.000 0.432 244 G N -1.469 107.448 108.800 0.194 0.000 2.535 244 G HA2 -0.101 3.860 3.960 0.002 0.000 0.218 244 G HA3 -0.101 3.860 3.960 0.002 0.000 0.218 244 G C 1.235 176.291 174.900 0.261 0.000 1.122 244 G CA 0.588 45.852 45.100 0.274 0.000 0.769 244 G HN 0.604 nan 8.290 nan 0.000 0.549 245 A N -0.453 122.498 122.820 0.218 0.000 2.387 245 A HA 0.675 4.997 4.320 0.002 0.000 0.234 245 A C 0.771 178.524 177.584 0.281 0.000 1.253 245 A CA -0.235 51.921 52.037 0.198 0.000 0.894 245 A CB 0.033 19.106 19.000 0.121 0.000 0.963 245 A HN 0.332 nan 8.150 nan 0.000 0.508 246 M N -0.236 119.609 119.600 0.408 0.000 2.508 246 M HA 0.697 5.179 4.480 0.002 0.000 0.327 246 M C -0.195 176.546 176.300 0.735 0.000 1.160 246 M CA -0.288 55.369 55.300 0.595 0.000 0.980 246 M CB 2.149 35.100 32.600 0.586 0.000 1.693 246 M HN 0.173 nan 8.290 nan 0.000 0.452 247 A N 1.742 124.959 122.820 0.661 0.000 2.564 247 A HA 0.855 5.176 4.320 0.002 0.000 0.288 247 A C -1.780 176.078 177.584 0.457 0.000 1.164 247 A CA -0.681 51.634 52.037 0.463 0.000 0.712 247 A CB 2.033 21.256 19.000 0.373 0.000 1.303 247 A HN 0.808 nan 8.150 nan 0.000 0.418 248 Q N -0.414 119.521 119.800 0.226 0.000 2.416 248 Q HA 0.756 5.097 4.340 0.002 0.000 0.281 248 Q C -1.958 174.153 176.000 0.184 0.000 1.067 248 Q CA -0.934 55.009 55.803 0.232 0.000 0.809 248 Q CB 2.208 31.068 28.738 0.203 0.000 1.418 248 Q HN 0.559 nan 8.270 nan 0.000 0.411 249 V N 1.700 121.731 119.914 0.194 0.000 2.525 249 V HA 0.206 4.327 4.120 0.002 0.000 0.299 249 V C -0.795 175.410 176.094 0.184 0.000 1.034 249 V CA -0.754 61.680 62.300 0.223 0.000 0.863 249 V CB 1.591 33.558 31.823 0.239 0.000 0.999 249 V HN 0.888 nan 8.190 nan 0.000 0.423 250 D N 3.625 124.127 120.400 0.170 0.000 2.458 250 D HA 0.161 4.802 4.640 0.002 0.000 0.243 250 D C 0.503 176.964 176.300 0.268 0.000 1.146 250 D CA 0.466 54.573 54.000 0.179 0.000 0.877 250 D CB 1.199 42.084 40.800 0.142 0.000 1.176 250 D HN 0.498 nan 8.370 nan 0.000 0.461 251 L N 2.665 124.003 121.223 0.193 0.000 2.966 251 L HA 0.357 4.698 4.340 0.002 0.000 0.262 251 L C 1.451 178.246 176.870 -0.125 0.000 1.165 251 L CA 0.039 54.867 54.840 -0.021 0.000 0.978 251 L CB -0.064 41.955 42.059 -0.068 0.000 1.337 251 L HN 0.719 nan 8.230 nan 0.000 0.563 252 G N 1.230 110.095 108.800 0.109 0.000 2.513 252 G HA2 -0.191 3.770 3.960 0.002 0.000 0.227 252 G HA3 -0.191 3.770 3.960 0.002 0.000 0.227 252 G C -0.485 174.458 174.900 0.072 0.000 1.176 252 G CA -0.523 44.634 45.100 0.096 0.000 0.967 252 G HN 0.239 nan 8.290 nan 0.000 0.587 253 E N 0.614 120.816 120.200 0.004 0.000 2.231 253 E HA 0.608 4.960 4.350 0.002 0.000 0.277 253 E C 0.183 176.727 176.600 -0.094 0.000 0.999 253 E CA -0.609 55.791 56.400 0.000 0.000 0.827 253 E CB 2.044 31.745 29.700 0.002 0.000 1.101 253 E HN 0.603 nan 8.360 nan 0.000 0.393 254 R N 2.525 122.953 120.500 -0.121 0.000 2.510 254 R HA 0.093 4.435 4.340 0.002 0.000 0.294 254 R C -1.112 175.096 176.300 -0.154 0.000 1.056 254 R CA -0.450 55.492 56.100 -0.263 0.000 0.918 254 R CB 1.378 31.261 30.300 -0.695 0.000 1.187 254 R HN 0.537 nan 8.270 nan 0.000 0.437 255 Q N 3.289 123.028 119.800 -0.101 0.000 2.293 255 Q HA 0.108 4.450 4.340 0.002 0.000 0.263 255 Q C -1.097 174.878 176.000 -0.041 0.000 1.002 255 Q CA -0.010 55.766 55.803 -0.045 0.000 0.910 255 Q CB 0.865 29.585 28.738 -0.030 0.000 1.185 255 Q HN 0.532 nan 8.270 nan 0.000 0.401 256 N N 1.790 120.489 118.700 -0.002 0.000 2.319 256 N HA 0.255 4.996 4.740 0.002 0.000 0.305 256 N C -1.410 174.127 175.510 0.046 0.000 1.103 256 N CA -0.727 52.333 53.050 0.017 0.000 0.815 256 N CB 1.091 39.599 38.487 0.035 0.000 1.288 256 N HN 0.420 nan 8.380 nan 0.000 0.493 257 R N 1.865 122.385 120.500 0.033 0.000 2.343 257 R HA 0.111 4.452 4.340 0.002 0.000 0.326 257 R C -0.486 175.843 176.300 0.049 0.000 1.055 257 R CA -0.431 55.691 56.100 0.036 0.000 0.961 257 R CB -0.366 29.942 30.300 0.013 0.000 0.978 257 R HN 0.557 nan 8.270 nan 0.000 0.443 258 H N 2.388 121.424 119.070 -0.058 0.000 3.001 258 H HA -0.021 4.537 4.556 0.003 0.000 0.334 258 H C 0.071 175.317 175.328 -0.135 0.000 1.034 258 H CA 1.055 57.055 56.048 -0.080 0.000 1.420 258 H CB 0.576 30.292 29.762 -0.076 0.000 1.405 258 H HN 0.458 nan 8.280 nan 0.000 0.593 259 Q N 2.226 121.867 119.800 -0.266 0.000 2.240 259 Q HA 0.240 4.582 4.340 0.002 0.000 0.260 259 Q C -0.221 175.610 176.000 -0.281 0.000 1.018 259 Q CA -1.118 54.530 55.803 -0.257 0.000 0.898 259 Q CB 1.301 29.918 28.738 -0.202 0.000 1.301 259 Q HN 0.676 nan 8.270 nan 0.000 0.469 260 H N 1.437 120.469 119.070 -0.063 0.000 2.764 260 H HA -0.029 4.528 4.556 0.002 0.000 0.341 260 H C 0.963 176.248 175.328 -0.071 0.000 1.072 260 H CA -0.047 55.978 56.048 -0.038 0.000 1.444 260 H CB 1.066 30.819 29.762 -0.016 0.000 1.458 260 H HN 0.496 nan 8.280 nan 0.000 0.572 261 L N 4.494 125.763 121.223 0.077 0.000 2.081 261 L HA -0.239 4.102 4.340 0.002 0.000 0.212 261 L C 2.719 179.605 176.870 0.028 0.000 1.080 261 L CA 1.723 56.579 54.840 0.027 0.000 0.754 261 L CB -0.474 41.620 42.059 0.059 0.000 0.893 261 L HN 0.664 nan 8.230 nan 0.000 0.433 262 R N -1.125 119.408 120.500 0.056 0.000 2.096 262 R HA -0.161 4.180 4.340 0.002 0.000 0.235 262 R C 1.560 177.741 176.300 -0.197 0.000 1.127 262 R CA 1.842 57.928 56.100 -0.024 0.000 0.968 262 R CB -0.932 29.385 30.300 0.029 0.000 0.861 262 R HN 0.350 nan 8.270 nan 0.000 0.440 263 D N 1.135 121.460 120.400 -0.125 0.000 2.194 263 D HA -0.054 4.587 4.640 0.002 0.000 0.204 263 D C 2.176 178.341 176.300 -0.225 0.000 0.964 263 D CA 0.886 54.767 54.000 -0.198 0.000 0.846 263 D CB -0.117 40.623 40.800 -0.101 0.000 0.962 263 D HN 0.266 nan 8.370 nan 0.000 0.490 264 L N 0.669 121.788 121.223 -0.173 0.000 2.131 264 L HA -0.155 4.187 4.340 0.002 0.000 0.210 264 L C 2.561 179.334 176.870 -0.162 0.000 1.092 264 L CA 0.612 55.338 54.840 -0.191 0.000 0.759 264 L CB -0.374 41.592 42.059 -0.155 0.000 0.903 264 L HN -0.012 nan 8.230 nan 0.000 0.435 265 S N -0.000 115.629 115.700 -0.118 0.000 2.365 265 S HA -0.226 4.245 4.470 0.002 0.000 0.225 265 S C 2.133 176.612 174.600 -0.202 0.000 1.039 265 S CA 1.478 59.650 58.200 -0.046 0.000 1.033 265 S CB -0.068 63.184 63.200 0.087 0.000 0.887 265 S HN 0.365 nan 8.310 nan 0.000 0.447 266 R N 0.195 120.490 120.500 -0.342 0.000 2.081 266 R HA -0.082 4.260 4.340 0.002 0.000 0.235 266 R C 2.588 178.731 176.300 -0.262 0.000 1.131 266 R CA 1.754 57.584 56.100 -0.450 0.000 0.960 266 R CB -0.475 29.570 30.300 -0.426 0.000 0.856 266 R HN 0.540 nan 8.270 nan 0.000 0.436 267 M N 0.627 120.088 119.600 -0.233 0.000 2.108 267 M HA -0.174 4.308 4.480 0.002 0.000 0.261 267 M C 1.968 178.183 176.300 -0.142 0.000 1.066 267 M CA 1.801 56.983 55.300 -0.197 0.000 1.107 267 M CB 0.015 32.396 32.600 -0.366 0.000 1.356 267 M HN -0.028 nan 8.290 nan 0.000 0.406 268 S N -0.436 115.185 115.700 -0.133 0.000 2.382 268 S HA -0.189 4.283 4.470 0.002 0.000 0.228 268 S C 1.623 176.199 174.600 -0.041 0.000 1.027 268 S CA 1.353 59.507 58.200 -0.076 0.000 0.991 268 S CB -0.642 62.540 63.200 -0.031 0.000 0.823 268 S HN 0.667 nan 8.310 nan 0.000 0.469 269 Y N 2.292 122.441 120.300 -0.252 0.000 2.224 269 Y HA -0.113 4.439 4.550 0.003 0.000 0.289 269 Y C 2.341 178.136 175.900 -0.176 0.000 1.146 269 Y CA 0.715 58.654 58.100 -0.268 0.000 1.182 269 Y CB -0.832 37.219 38.460 -0.681 0.000 0.983 269 Y HN 0.219 nan 8.280 nan 0.000 0.524 270 A N -0.936 121.756 122.820 -0.213 0.000 1.898 270 A HA -0.119 4.203 4.320 0.002 0.000 0.216 270 A C 2.376 179.841 177.584 -0.200 0.000 1.181 270 A CA 1.865 53.769 52.037 -0.223 0.000 0.620 270 A CB -1.235 17.722 19.000 -0.072 0.000 0.819 270 A HN 0.284 nan 8.150 nan 0.000 0.442 271 V N -0.265 119.562 119.914 -0.145 0.000 2.295 271 V HA -0.240 3.882 4.120 0.002 0.000 0.246 271 V C 2.580 178.597 176.094 -0.129 0.000 1.049 271 V CA 1.983 64.206 62.300 -0.128 0.000 1.024 271 V CB -0.904 30.840 31.823 -0.133 0.000 0.648 271 V HN 0.367 nan 8.190 nan 0.000 0.447 272 V N 0.055 119.890 119.914 -0.131 0.000 2.282 272 V HA -0.311 3.810 4.120 0.002 0.000 0.249 272 V C 2.637 178.627 176.094 -0.174 0.000 1.057 272 V CA 2.256 64.493 62.300 -0.105 0.000 1.032 272 V CB -0.842 30.958 31.823 -0.039 0.000 0.645 272 V HN 0.481 nan 8.190 nan 0.000 0.447 273 R N -0.071 120.233 120.500 -0.326 0.000 2.091 273 R HA -0.152 4.190 4.340 0.002 0.000 0.238 273 R C 2.456 178.644 176.300 -0.188 0.000 1.136 273 R CA 1.513 57.424 56.100 -0.316 0.000 0.959 273 R CB -0.690 29.331 30.300 -0.465 0.000 0.856 273 R HN 0.560 nan 8.270 nan 0.000 0.437 274 A N 0.906 123.628 122.820 -0.163 0.000 1.865 274 A HA -0.143 4.178 4.320 0.002 0.000 0.217 274 A C 2.426 179.964 177.584 -0.078 0.000 1.191 274 A CA 1.673 53.640 52.037 -0.117 0.000 0.623 274 A CB -0.751 18.184 19.000 -0.109 0.000 0.826 274 A HN 0.116 nan 8.150 nan 0.000 0.444 275 V N -0.051 119.838 119.914 -0.041 0.000 2.287 275 V HA -0.300 3.821 4.120 0.002 0.000 0.248 275 V C 3.066 179.116 176.094 -0.073 0.000 1.053 275 V CA 2.176 64.490 62.300 0.024 0.000 1.027 275 V CB -1.359 30.511 31.823 0.078 0.000 0.646 275 V HN 0.645 nan 8.190 nan 0.000 0.447 276 A N 0.167 122.918 122.820 -0.116 0.000 1.902 276 A HA -0.273 4.048 4.320 0.002 0.000 0.217 276 A C 2.323 179.852 177.584 -0.092 0.000 1.181 276 A CA 2.201 54.160 52.037 -0.131 0.000 0.623 276 A CB -0.555 18.388 19.000 -0.096 0.000 0.818 276 A HN 0.517 nan 8.150 nan 0.000 0.443 277 R N -0.459 119.994 120.500 -0.079 0.000 2.080 277 R HA -0.131 4.211 4.340 0.002 0.000 0.236 277 R C 2.296 178.567 176.300 -0.048 0.000 1.137 277 R CA 1.734 57.797 56.100 -0.061 0.000 0.943 277 R CB -0.276 29.980 30.300 -0.074 0.000 0.846 277 R HN 0.369 nan 8.270 nan 0.000 0.431 278 R N 0.493 120.970 120.500 -0.039 0.000 2.081 278 R HA -0.093 4.248 4.340 0.002 0.000 0.235 278 R C 2.371 178.679 176.300 0.014 0.000 1.131 278 R CA 1.451 57.550 56.100 -0.002 0.000 0.960 278 R CB -0.869 29.444 30.300 0.020 0.000 0.856 278 R HN 0.355 nan 8.270 nan 0.000 0.436 279 L N 0.133 121.337 121.223 -0.032 0.000 2.079 279 L HA -0.155 4.186 4.340 0.002 0.000 0.210 279 L C 2.825 179.652 176.870 -0.072 0.000 1.081 279 L CA 1.397 56.174 54.840 -0.106 0.000 0.752 279 L CB -0.396 41.494 42.059 -0.282 0.000 0.896 279 L HN 0.152 nan 8.230 nan 0.000 0.433 280 R N 0.278 120.743 120.500 -0.058 0.000 2.075 280 R HA -0.179 4.163 4.340 0.002 0.000 0.232 280 R C 2.455 178.741 176.300 -0.022 0.000 1.126 280 R CA 1.482 57.562 56.100 -0.034 0.000 0.963 280 R CB -0.109 30.178 30.300 -0.021 0.000 0.858 280 R HN 0.505 nan 8.270 nan 0.000 0.435 281 Q N -0.117 119.671 119.800 -0.019 0.000 2.297 281 Q HA -0.157 4.185 4.340 0.002 0.000 0.204 281 Q C 1.063 177.058 176.000 -0.008 0.000 0.962 281 Q CA 1.464 57.260 55.803 -0.012 0.000 0.879 281 Q CB -0.022 28.708 28.738 -0.014 0.000 0.947 281 Q HN 0.505 nan 8.270 nan 0.000 0.462 282 E N 0.664 120.860 120.200 -0.006 0.000 2.358 282 E HA 0.021 4.372 4.350 0.002 0.000 0.195 282 E C 0.878 177.472 176.600 -0.010 0.000 1.010 282 E CA 0.497 56.896 56.400 -0.002 0.000 0.856 282 E CB 0.040 29.743 29.700 0.004 0.000 0.795 282 E HN 0.669 nan 8.360 nan 0.000 0.504 283 G N 1.090 109.881 108.800 -0.016 0.000 2.176 283 G HA2 -0.347 3.614 3.960 0.002 0.000 0.253 283 G HA3 -0.347 3.614 3.960 0.002 0.000 0.253 283 G C 0.947 175.837 174.900 -0.018 0.000 0.979 283 G CA 0.439 45.530 45.100 -0.015 0.000 0.641 283 G HN 0.201 nan 8.290 nan 0.000 0.530 284 R N -1.157 119.326 120.500 -0.028 0.000 2.115 284 R HA 0.190 4.531 4.340 0.002 0.000 0.226 284 R C 0.830 177.114 176.300 -0.026 0.000 1.100 284 R CA 0.929 57.014 56.100 -0.025 0.000 0.980 284 R CB 0.034 30.310 30.300 -0.040 0.000 0.875 284 R HN 0.397 nan 8.270 nan 0.000 0.445 285 L N 2.090 123.284 121.223 -0.047 0.000 2.298 285 L HA 0.184 4.525 4.340 0.002 0.000 0.284 285 L C -0.310 176.547 176.870 -0.023 0.000 1.013 285 L CA -0.313 54.502 54.840 -0.040 0.000 0.824 285 L CB 1.372 43.384 42.059 -0.078 0.000 1.221 285 L HN 0.054 nan 8.230 nan 0.000 0.418 286 Q N 2.809 122.602 119.800 -0.013 0.000 2.486 286 Q HA 0.431 4.772 4.340 0.002 0.000 0.274 286 Q C -0.892 175.101 176.000 -0.012 0.000 1.076 286 Q CA -0.846 54.950 55.803 -0.012 0.000 0.872 286 Q CB 0.692 29.423 28.738 -0.012 0.000 1.383 286 Q HN 0.621 nan 8.270 nan 0.000 0.478 287 Q N -0.130 119.657 119.800 -0.022 0.000 2.386 287 Q HA -0.239 4.102 4.340 0.002 0.000 0.361 287 Q C 0.391 176.368 176.000 -0.038 0.000 1.325 287 Q CA 0.541 56.318 55.803 -0.043 0.000 1.097 287 Q CB -1.249 27.459 28.738 -0.050 0.000 1.303 287 Q HN 0.693 nan 8.270 nan 0.000 0.377 288 L N 0.438 121.660 121.223 -0.002 0.000 2.064 288 L HA -0.197 4.145 4.340 0.002 0.000 0.216 288 L C 1.253 178.157 176.870 0.057 0.000 1.077 288 L CA 2.366 57.246 54.840 0.066 0.000 0.766 288 L CB -0.438 41.715 42.059 0.157 0.000 0.890 288 L HN 0.631 nan 8.230 nan 0.000 0.435 289 R N 1.424 121.810 120.500 -0.190 0.000 2.216 289 R HA 0.084 4.425 4.340 0.002 0.000 0.332 289 R C -0.221 175.946 176.300 -0.222 0.000 1.056 289 R CA -0.289 55.537 56.100 -0.457 0.000 0.901 289 R CB 0.210 29.703 30.300 -1.343 0.000 1.039 289 R HN 0.371 nan 8.270 nan 0.000 0.456 290 E N 5.592 125.733 120.200 -0.100 0.000 2.376 290 E HA 0.096 4.447 4.350 0.002 0.000 0.266 290 E C -2.047 174.500 176.600 -0.088 0.000 1.009 290 E CA -1.637 54.723 56.400 -0.067 0.000 0.902 290 E CB 0.776 30.458 29.700 -0.030 0.000 0.972 290 E HN 0.426 nan 8.360 nan 0.000 0.439 291 P HA 0.051 nan 4.420 nan 0.000 0.269 291 P C 0.468 177.740 177.300 -0.047 0.000 1.209 291 P CA 0.593 63.655 63.100 -0.063 0.000 0.776 291 P CB 0.791 32.462 31.700 -0.048 0.000 0.876 292 G N 1.666 110.444 108.800 -0.037 0.000 2.336 292 G HA2 -0.233 3.728 3.960 0.002 0.000 0.233 292 G HA3 -0.233 3.728 3.960 0.002 0.000 0.233 292 G C 0.024 174.913 174.900 -0.018 0.000 1.053 292 G CA -0.328 44.757 45.100 -0.024 0.000 0.625 292 G HN 0.602 nan 8.290 nan 0.000 0.511 293 L N 3.876 125.082 121.223 -0.029 0.000 2.530 293 L HA 0.271 4.612 4.340 0.002 0.000 0.273 293 L C -1.216 175.691 176.870 0.061 0.000 1.141 293 L CA -0.793 54.044 54.840 -0.007 0.000 0.905 293 L CB 0.290 42.340 42.059 -0.014 0.000 1.202 293 L HN 0.144 nan 8.230 nan 0.000 0.473 294 P HA -0.040 nan 4.420 nan 0.000 0.266 294 P C 0.329 177.750 177.300 0.203 0.000 1.195 294 P CA -0.013 63.186 63.100 0.166 0.000 0.768 294 P CB 0.709 32.545 31.700 0.226 0.000 0.838 295 E N 3.192 123.472 120.200 0.132 0.000 2.171 295 E HA -0.236 4.116 4.350 0.002 0.000 0.197 295 E C 1.581 178.292 176.600 0.185 0.000 0.997 295 E CA 2.288 58.782 56.400 0.156 0.000 0.810 295 E CB -0.868 28.893 29.700 0.101 0.000 0.738 295 E HN 0.441 nan 8.360 nan 0.000 0.467 296 S N -0.620 115.146 115.700 0.112 0.000 2.402 296 S HA -0.185 4.287 4.470 0.002 0.000 0.233 296 S C 1.784 176.361 174.600 -0.037 0.000 1.030 296 S CA 1.234 59.436 58.200 0.002 0.000 1.003 296 S CB -0.743 62.401 63.200 -0.094 0.000 0.813 296 S HN 0.327 nan 8.310 nan 0.000 0.477 297 F N 0.452 120.461 119.950 0.098 0.000 2.661 297 F HA 0.385 4.914 4.527 0.002 0.000 0.298 297 F C 0.662 176.555 175.800 0.155 0.000 1.137 297 F CA -0.193 57.867 58.000 0.101 0.000 1.454 297 F CB -0.009 39.051 39.000 0.099 0.000 1.103 297 F HN 0.172 nan 8.300 nan 0.000 0.577 298 F N 1.660 121.712 119.950 0.171 0.000 2.361 298 F HA 0.481 5.009 4.527 0.003 0.000 0.364 298 F C -0.409 175.445 175.800 0.090 0.000 1.117 298 F CA -0.399 57.678 58.000 0.128 0.000 1.071 298 F CB 0.380 39.444 39.000 0.108 0.000 1.188 298 F HN -0.234 nan 8.300 nan 0.000 0.464 299 Q N 7.295 126.885 119.800 -0.350 0.000 2.821 299 Q HA 0.160 4.502 4.340 0.002 0.000 0.217 299 Q C 0.228 176.087 176.000 -0.234 0.000 0.775 299 Q CA -0.047 55.620 55.803 -0.227 0.000 0.930 299 Q CB 1.555 30.258 28.738 -0.058 0.000 1.511 299 Q HN 0.847 nan 8.270 nan 0.000 0.457 300 L N 0.172 121.209 121.223 -0.311 0.000 2.131 300 L HA -0.172 4.169 4.340 0.002 0.000 0.210 300 L C 1.985 178.920 176.870 0.109 0.000 1.092 300 L CA 1.896 56.669 54.840 -0.110 0.000 0.759 300 L CB -0.244 41.733 42.059 -0.137 0.000 0.903 300 L HN 0.466 nan 8.230 nan 0.000 0.435 301 S N -2.272 113.461 115.700 0.056 0.000 2.522 301 S HA -0.091 4.380 4.470 0.002 0.000 0.227 301 S C 0.639 175.326 174.600 0.145 0.000 0.986 301 S CA 0.071 58.339 58.200 0.113 0.000 0.929 301 S CB -0.300 62.938 63.200 0.063 0.000 0.769 301 S HN 0.274 nan 8.310 nan 0.000 0.529 302 D N 1.063 121.522 120.400 0.098 0.000 2.428 302 D HA 0.278 4.920 4.640 0.002 0.000 0.221 302 D C -1.450 174.893 176.300 0.071 0.000 1.123 302 D CA -0.562 53.483 54.000 0.075 0.000 0.869 302 D CB 0.185 40.992 40.800 0.011 0.000 1.032 302 D HN 0.309 nan 8.370 nan 0.000 0.506 303 Y N 4.709 124.983 120.300 -0.042 0.000 2.367 303 Y HA 0.372 4.923 4.550 0.002 0.000 0.342 303 Y C -0.886 175.002 175.900 -0.021 0.000 0.979 303 Y CA -0.825 57.167 58.100 -0.180 0.000 1.161 303 Y CB 0.521 38.851 38.460 -0.217 0.000 1.155 303 Y HN 0.290 nan 8.280 nan 0.000 0.503 304 L N 6.932 127.858 121.223 -0.495 0.000 2.275 304 L HA 0.312 4.654 4.340 0.002 0.000 0.288 304 L C -0.400 176.204 176.870 -0.443 0.000 1.046 304 L CA -0.513 54.127 54.840 -0.334 0.000 0.805 304 L CB 0.859 42.791 42.059 -0.212 0.000 1.193 304 L HN 0.613 nan 8.230 nan 0.000 0.426 305 H N 3.875 122.779 119.070 -0.276 0.000 2.792 305 H HA 0.460 5.017 4.556 0.002 0.000 0.298 305 H C -0.886 174.402 175.328 -0.066 0.000 1.042 305 H CA -0.600 55.353 56.048 -0.158 0.000 1.300 305 H CB 1.600 31.436 29.762 0.122 0.000 1.431 305 H HN 0.747 nan 8.280 nan 0.000 0.496 306 A N 5.083 127.727 122.820 -0.293 0.000 2.362 306 A HA 0.485 4.806 4.320 0.002 0.000 0.276 306 A C 0.023 177.455 177.584 -0.253 0.000 1.153 306 A CA -0.278 51.637 52.037 -0.203 0.000 0.813 306 A CB 0.179 19.089 19.000 -0.150 0.000 1.081 306 A HN 0.496 nan 8.150 nan 0.000 0.507 307 V N -0.785 119.050 119.914 -0.132 0.000 3.102 307 V HA 0.969 5.090 4.120 0.002 0.000 0.312 307 V C -0.029 176.039 176.094 -0.044 0.000 1.135 307 V CA -0.528 61.718 62.300 -0.090 0.000 1.022 307 V CB 1.497 33.318 31.823 -0.003 0.000 1.056 307 V HN 1.631 nan 8.190 nan 0.000 0.436 308 A N 1.671 124.476 122.820 -0.026 0.000 2.330 308 A HA 0.951 5.272 4.320 0.002 0.000 0.327 308 A C 0.104 177.688 177.584 -0.000 0.000 1.155 308 A CA 0.070 52.099 52.037 -0.014 0.000 0.803 308 A CB 1.159 20.151 19.000 -0.013 0.000 1.208 308 A HN 1.876 nan 8.150 nan 0.000 0.477 309 T N -0.541 114.013 114.554 -0.000 0.000 2.901 309 T HA 0.682 5.033 4.350 0.002 0.000 0.293 309 T C -2.105 172.596 174.700 0.002 0.000 1.084 309 T CA -1.508 60.595 62.100 0.005 0.000 1.008 309 T CB 1.711 70.582 68.868 0.005 0.000 1.170 309 T HN 0.281 nan 8.240 nan 0.000 0.509 310 P HA -0.152 nan 4.420 nan 0.000 0.218 310 P C 0.817 178.117 177.300 0.001 0.000 1.146 310 P CA 1.353 64.455 63.100 0.003 0.000 0.813 310 P CB 0.078 31.780 31.700 0.004 0.000 0.778 311 E N -0.636 119.563 120.200 -0.001 0.000 2.476 311 E HA 0.394 4.745 4.350 0.002 0.000 0.196 311 E C 0.716 177.314 176.600 -0.005 0.000 1.029 311 E CA 0.035 56.434 56.400 -0.002 0.000 0.896 311 E CB 0.153 29.852 29.700 -0.003 0.000 1.012 311 E HN 0.163 nan 8.360 nan 0.000 0.475 312 G N 0.737 109.534 108.800 -0.005 0.000 2.346 312 G HA2 0.055 4.017 3.960 0.002 0.000 0.294 312 G HA3 0.055 4.017 3.960 0.002 0.000 0.294 312 G C -1.435 173.459 174.900 -0.010 0.000 1.294 312 G CA -0.931 44.164 45.100 -0.008 0.000 0.962 312 G HN 0.080 nan 8.290 nan 0.000 0.508 313 L N 0.424 121.639 121.223 -0.014 0.000 2.334 313 L HA 0.660 5.002 4.340 0.002 0.000 0.277 313 L C 0.445 177.302 176.870 -0.023 0.000 1.075 313 L CA -0.563 54.265 54.840 -0.020 0.000 0.804 313 L CB 1.500 43.545 42.059 -0.024 0.000 1.174 313 L HN 0.517 nan 8.230 nan 0.000 0.438 314 K N 2.780 123.165 120.400 -0.026 0.000 2.443 314 K HA 0.594 4.916 4.320 0.002 0.000 0.251 314 K C -1.568 175.009 176.600 -0.038 0.000 0.972 314 K CA -0.968 55.302 56.287 -0.028 0.000 0.833 314 K CB 2.812 35.302 32.500 -0.018 0.000 1.317 314 K HN 0.184 nan 8.250 nan 0.000 0.441 315 L N 2.478 123.674 121.223 -0.045 0.000 2.318 315 L HA 0.280 4.621 4.340 0.002 0.000 0.277 315 L C -0.950 175.879 176.870 -0.068 0.000 1.008 315 L CA 0.005 54.810 54.840 -0.058 0.000 0.846 315 L CB 1.130 43.151 42.059 -0.063 0.000 1.220 315 L HN 0.523 nan 8.230 nan 0.000 0.423 316 Q N 3.041 122.813 119.800 -0.047 0.000 2.259 316 Q HA 0.433 4.775 4.340 0.002 0.000 0.246 316 Q C -0.772 175.109 176.000 -0.198 0.000 0.920 316 Q CA -0.180 55.546 55.803 -0.129 0.000 0.895 316 Q CB 1.737 30.447 28.738 -0.046 0.000 1.220 316 Q HN 0.560 nan 8.270 nan 0.000 0.439 317 E N 1.981 121.962 120.200 -0.366 0.000 2.218 317 E HA 0.301 4.652 4.350 0.002 0.000 0.263 317 E C -1.710 174.643 176.600 -0.413 0.000 0.879 317 E CA -0.468 55.775 56.400 -0.262 0.000 0.762 317 E CB 0.895 30.500 29.700 -0.158 0.000 1.166 317 E HN 0.472 nan 8.360 nan 0.000 0.415 318 Y N 1.837 122.178 120.300 0.069 0.000 2.429 318 Y HA 0.489 5.040 4.550 0.002 0.000 0.342 318 Y C -0.332 175.625 175.900 0.095 0.000 1.004 318 Y CA -0.934 57.221 58.100 0.091 0.000 1.075 318 Y CB 2.028 40.566 38.460 0.131 0.000 1.214 318 Y HN 0.205 nan 8.280 nan 0.000 0.455 319 V N 2.994 123.035 119.914 0.212 0.000 2.376 319 V HA 0.408 4.529 4.120 0.002 0.000 0.287 319 V C -0.954 175.233 176.094 0.156 0.000 1.015 319 V CA -0.585 61.807 62.300 0.154 0.000 0.834 319 V CB 1.400 33.277 31.823 0.090 0.000 1.001 319 V HN 0.681 nan 8.190 nan 0.000 0.428 320 E N 3.423 123.720 120.200 0.161 0.000 2.279 320 E HA 0.290 4.641 4.350 0.002 0.000 0.252 320 E C -0.384 176.279 176.600 0.106 0.000 0.894 320 E CA -0.421 56.060 56.400 0.136 0.000 0.785 320 E CB 1.362 31.139 29.700 0.128 0.000 1.237 320 E HN 0.723 nan 8.360 nan 0.000 0.418 321 E N 3.928 124.180 120.200 0.087 0.000 2.376 321 E HA 0.023 4.374 4.350 0.002 0.000 0.266 321 E C -0.486 176.100 176.600 -0.023 0.000 1.009 321 E CA -0.478 55.939 56.400 0.029 0.000 0.902 321 E CB 0.562 30.272 29.700 0.016 0.000 0.972 321 E HN 0.418 nan 8.360 nan 0.000 0.439 322 L N 7.002 128.194 121.223 -0.051 0.000 2.536 322 L HA 0.105 4.447 4.340 0.002 0.000 0.282 322 L C -1.041 175.748 176.870 -0.135 0.000 1.174 322 L CA 0.117 54.901 54.840 -0.093 0.000 0.989 322 L CB 0.184 42.180 42.059 -0.105 0.000 1.311 322 L HN 0.280 nan 8.230 nan 0.000 0.455 323 V N 4.738 124.534 119.914 -0.198 0.000 2.498 323 V HA 0.306 4.427 4.120 0.002 0.000 0.279 323 V C 0.304 176.260 176.094 -0.229 0.000 1.048 323 V CA -0.541 61.594 62.300 -0.275 0.000 0.967 323 V CB 1.363 32.863 31.823 -0.538 0.000 0.988 323 V HN 0.701 nan 8.190 nan 0.000 0.473 324 E N 4.168 124.237 120.200 -0.219 0.000 2.210 324 E HA 0.472 4.824 4.350 0.002 0.000 0.266 324 E C -0.867 175.533 176.600 -0.333 0.000 0.883 324 E CA -0.966 55.297 56.400 -0.229 0.000 0.761 324 E CB 1.135 30.740 29.700 -0.158 0.000 1.156 324 E HN 0.489 nan 8.360 nan 0.000 0.412 325 R N 4.127 124.309 120.500 -0.530 0.000 2.349 325 R HA 0.397 4.738 4.340 0.002 0.000 0.299 325 R C -2.291 173.688 176.300 -0.536 0.000 1.027 325 R CA -2.478 53.054 56.100 -0.946 0.000 0.958 325 R CB 0.616 29.530 30.300 -2.310 0.000 1.047 325 R HN 0.484 nan 8.270 nan 0.000 0.468 326 P HA 0.170 nan 4.420 nan 0.000 0.272 326 P C -2.524 174.896 177.300 0.201 0.000 1.230 326 P CA -1.647 61.457 63.100 0.006 0.000 0.788 326 P CB -0.333 31.422 31.700 0.092 0.000 0.949 327 P HA 0.058 nan 4.420 nan 0.000 0.260 327 P C 1.254 178.738 177.300 0.308 0.000 1.172 327 P CA 0.499 63.769 63.100 0.284 0.000 0.760 327 P CB -0.037 31.770 31.700 0.178 0.000 0.773 328 I N 3.646 124.403 120.570 0.312 0.000 2.454 328 I HA -0.314 3.857 4.170 0.002 0.000 0.254 328 I C 1.604 177.728 176.117 0.013 0.000 1.156 328 I CA 1.388 62.718 61.300 0.048 0.000 1.433 328 I CB -0.152 37.551 38.000 -0.494 0.000 1.082 328 I HN 0.395 nan 8.210 nan 0.000 0.432 329 N N 0.447 119.173 118.700 0.044 0.000 2.184 329 N HA -0.268 4.474 4.740 0.002 0.000 0.190 329 N C 1.216 176.757 175.510 0.051 0.000 1.011 329 N CA 1.480 54.551 53.050 0.036 0.000 0.867 329 N CB -0.054 38.465 38.487 0.054 0.000 0.993 329 N HN 0.477 nan 8.380 nan 0.000 0.433 330 E N -0.552 119.701 120.200 0.088 0.000 2.489 330 E HA 0.058 4.409 4.350 0.002 0.000 0.193 330 E C 0.530 177.193 176.600 0.105 0.000 1.057 330 E CA 0.127 56.582 56.400 0.092 0.000 0.866 330 E CB 0.730 30.492 29.700 0.104 0.000 0.916 330 E HN 0.103 nan 8.360 nan 0.000 0.500 331 V N 0.716 120.699 119.914 0.114 0.000 3.392 331 V HA 0.183 4.305 4.120 0.002 0.000 0.294 331 V C -0.489 175.661 176.094 0.094 0.000 1.561 331 V CA -0.040 62.355 62.300 0.158 0.000 1.056 331 V CB 1.061 33.071 31.823 0.311 0.000 0.882 331 V HN 0.120 nan 8.190 nan 0.000 0.440 332 L N 1.483 122.719 121.223 0.021 0.000 2.354 332 L HA 0.600 4.942 4.340 0.002 0.000 0.269 332 L C 0.345 177.203 176.870 -0.020 0.000 1.005 332 L CA -0.708 54.111 54.840 -0.034 0.000 0.819 332 L CB 1.943 43.936 42.059 -0.110 0.000 1.311 332 L HN 0.303 nan 8.230 nan 0.000 0.423 333 R N 2.887 123.373 120.500 -0.024 0.000 2.504 333 R HA 0.133 4.474 4.340 0.002 0.000 0.291 333 R C -0.798 175.490 176.300 -0.022 0.000 0.974 333 R CA -0.323 55.767 56.100 -0.017 0.000 1.077 333 R CB 0.361 30.648 30.300 -0.021 0.000 0.926 333 R HN 0.463 nan 8.270 nan 0.000 0.407 334 V N 0.000 119.908 119.914 -0.011 0.000 2.409 334 V HA 0.000 4.121 4.120 0.002 0.000 0.244 334 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 334 V CB 0.000 31.822 31.823 -0.001 0.000 1.184 334 V HN 0.000 nan 8.190 nan 0.000 0.556