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 1z9x_1_A DATA FIRST_RESID 2 DATA SEQUENCE EPFKQQKVED FYDIGEELGS GQFAIVKKCR EKSTGLEYAA KFIKKRQSRA DATA SEQUENCE SRRGVSREEI EREVSILRQV LHHNVITLHD VYENRTDVVL ILELVSGGEL DATA SEQUENCE FDFLAQKESL SEEEATSFIK QILDGVNYLH TKKIAHFDLK PENIMLLDKN DATA SEQUENCE IPIPHIKLID FGLAHEIEDG VEFKNIFGTP EFVAPEIVNY EPLGLEADMW DATA SEQUENCE SIGVITYILL SGASPFLGDT KQETLANITS VSYDFDEEFF SHTSELAKDF DATA SEQUENCE IRKLLVKETR KRLTIQEALR HPWITPVDNQ QAMVRRESVV NLENFRKQYV DATA SEQUENCE RRR 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 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.539 176.600 -0.101 0.000 1.382 2 E CA 0.000 56.355 56.400 -0.076 0.000 0.976 2 E CB 0.000 29.658 29.700 -0.070 0.000 0.812 3 P HA 0.176 nan 4.420 nan 0.000 0.272 3 P C -0.988 176.281 177.300 -0.052 0.000 1.223 3 P CA -0.047 62.938 63.100 -0.191 0.000 0.784 3 P CB 0.191 31.802 31.700 -0.149 0.000 0.923 4 F N 0.651 120.523 119.950 -0.130 0.000 2.471 4 F HA 0.126 4.667 4.527 0.023 0.000 0.353 4 F C 1.431 177.102 175.800 -0.215 0.000 1.113 4 F CA -0.778 57.122 58.000 -0.166 0.000 1.262 4 F CB 0.535 39.471 39.000 -0.108 0.000 1.146 4 F HN 0.048 nan 8.300 nan 0.000 0.578 5 K N 2.785 123.075 120.400 -0.183 0.000 2.383 5 K HA 0.030 4.364 4.320 0.024 0.000 0.286 5 K C 0.353 176.862 176.600 -0.152 0.000 1.051 5 K CA -0.008 56.056 56.287 -0.370 0.000 0.974 5 K CB 0.809 32.715 32.500 -0.991 0.000 0.968 5 K HN 0.680 nan 8.250 nan 0.000 0.475 6 Q N 1.749 121.518 119.800 -0.053 0.000 2.403 6 Q HA -0.049 4.306 4.340 0.024 0.000 0.203 6 Q C -0.268 175.800 176.000 0.114 0.000 0.932 6 Q CA 0.344 56.176 55.803 0.048 0.000 0.945 6 Q CB 0.397 29.154 28.738 0.033 0.000 1.045 6 Q HN 0.463 nan 8.270 nan 0.000 0.511 7 Q N 1.009 120.888 119.800 0.132 0.000 2.368 7 Q HA 0.140 4.494 4.340 0.024 0.000 0.237 7 Q C -0.547 175.693 176.000 0.400 0.000 0.987 7 Q CA 0.100 56.068 55.803 0.275 0.000 0.896 7 Q CB 0.643 29.550 28.738 0.283 0.000 1.241 7 Q HN -0.065 nan 8.270 nan 0.000 0.485 8 K N 0.954 121.579 120.400 0.376 0.000 2.416 8 K HA 0.007 4.341 4.320 0.024 0.000 0.283 8 K C 0.605 177.403 176.600 0.330 0.000 1.037 8 K CA -0.203 56.262 56.287 0.296 0.000 0.995 8 K CB 0.576 33.200 32.500 0.206 0.000 0.938 8 K HN 0.386 nan 8.250 nan 0.000 0.475 9 V N 3.293 123.290 119.914 0.139 0.000 2.287 9 V HA -0.290 3.844 4.120 0.024 0.000 0.248 9 V C 2.335 178.520 176.094 0.152 0.000 1.053 9 V CA 1.976 64.223 62.300 -0.089 0.000 1.027 9 V CB -0.552 31.155 31.823 -0.192 0.000 0.646 9 V HN 0.845 nan 8.190 nan 0.000 0.447 10 E N 0.113 120.405 120.200 0.153 0.000 2.209 10 E HA -0.271 4.093 4.350 0.024 0.000 0.196 10 E C 1.469 178.127 176.600 0.096 0.000 0.993 10 E CA 1.568 58.048 56.400 0.135 0.000 0.819 10 E CB -0.603 29.154 29.700 0.096 0.000 0.745 10 E HN 0.563 nan 8.360 nan 0.000 0.477 11 D N -0.395 120.064 120.400 0.098 0.000 2.269 11 D HA -0.018 4.636 4.640 0.024 0.000 0.208 11 D C 0.807 176.890 176.300 -0.362 0.000 0.963 11 D CA 0.702 54.630 54.000 -0.119 0.000 0.864 11 D CB -0.114 40.600 40.800 -0.144 0.000 0.936 11 D HN 0.270 nan 8.370 nan 0.000 0.505 12 F N -1.840 118.152 119.950 0.070 0.000 2.767 12 F HA 0.242 4.783 4.527 0.024 0.000 0.323 12 F C -0.261 175.405 175.800 -0.224 0.000 1.091 12 F CA -0.362 57.623 58.000 -0.025 0.000 1.192 12 F CB 0.640 39.679 39.000 0.065 0.000 1.056 12 F HN -0.244 nan 8.300 nan 0.000 0.571 13 Y N 0.490 120.855 120.300 0.109 0.000 2.421 13 Y HA 0.336 4.900 4.550 0.024 0.000 0.339 13 Y C -0.403 175.530 175.900 0.055 0.000 0.996 13 Y CA -1.726 56.417 58.100 0.072 0.000 1.046 13 Y CB 1.094 39.566 38.460 0.020 0.000 1.226 13 Y HN -0.188 nan 8.280 nan 0.000 0.445 14 D N 3.710 124.221 120.400 0.186 0.000 2.350 14 D HA 0.258 4.913 4.640 0.024 0.000 0.249 14 D C -0.375 176.024 176.300 0.165 0.000 1.119 14 D CA 0.244 54.324 54.000 0.133 0.000 0.886 14 D CB 1.368 42.220 40.800 0.087 0.000 1.195 14 D HN 0.235 nan 8.370 nan 0.000 0.437 15 I N 1.698 122.343 120.570 0.124 0.000 2.378 15 I HA 0.350 4.534 4.170 0.024 0.000 0.291 15 I C 1.051 177.216 176.117 0.081 0.000 0.992 15 I CA -0.477 60.896 61.300 0.121 0.000 1.154 15 I CB 1.023 39.092 38.000 0.114 0.000 1.315 15 I HN 0.343 nan 8.210 nan 0.000 0.448 16 G N 5.887 114.736 108.800 0.083 0.000 3.019 16 G HA2 0.354 4.328 3.960 0.024 0.000 0.152 16 G HA3 0.354 4.328 3.960 0.024 0.000 0.152 16 G C -0.109 174.819 174.900 0.047 0.000 1.320 16 G CA -0.322 44.813 45.100 0.058 0.000 1.013 16 G HN 0.658 nan 8.290 nan 0.000 0.593 17 E N 0.327 120.553 120.200 0.043 0.000 2.392 17 E HA 0.175 4.539 4.350 0.024 0.000 0.259 17 E C -0.617 176.008 176.600 0.042 0.000 1.108 17 E CA -0.204 56.217 56.400 0.034 0.000 0.916 17 E CB 1.055 30.774 29.700 0.032 0.000 0.989 17 E HN 0.302 nan 8.360 nan 0.000 0.432 18 E N 0.850 121.069 120.200 0.031 0.000 2.360 18 E HA 0.006 4.371 4.350 0.024 0.000 0.269 18 E C 0.148 176.775 176.600 0.044 0.000 1.022 18 E CA -0.269 56.153 56.400 0.036 0.000 0.887 18 E CB 0.855 30.567 29.700 0.020 0.000 0.990 18 E HN 0.433 nan 8.360 nan 0.000 0.426 19 L N 2.336 123.592 121.223 0.056 0.000 2.470 19 L HA 0.295 4.649 4.340 0.024 0.000 0.219 19 L C 0.849 177.751 176.870 0.053 0.000 1.071 19 L CA 0.794 55.668 54.840 0.056 0.000 0.850 19 L CB 0.264 42.361 42.059 0.065 0.000 1.040 19 L HN 0.689 nan 8.230 nan 0.000 0.475 20 G N -1.581 107.251 108.800 0.054 0.000 2.317 20 G HA2 0.471 4.445 3.960 0.024 0.000 0.293 20 G HA3 0.471 4.445 3.960 0.024 0.000 0.293 20 G C -1.561 173.369 174.900 0.051 0.000 1.287 20 G CA 0.101 45.230 45.100 0.048 0.000 0.850 20 G HN 0.194 nan 8.290 nan 0.000 0.515 21 S N -1.645 114.082 115.700 0.044 0.000 2.552 21 S HA 0.837 5.322 4.470 0.024 0.000 0.272 21 S C 0.135 174.759 174.600 0.040 0.000 1.150 21 S CA 0.306 58.533 58.200 0.045 0.000 0.849 21 S CB 1.319 64.535 63.200 0.027 0.000 1.113 21 S HN 2.165 nan 8.310 nan 0.000 0.458 22 G N 0.153 108.983 108.800 0.050 0.000 2.736 22 G HA2 0.484 4.459 3.960 0.024 0.000 0.229 22 G HA3 0.484 4.459 3.960 0.024 0.000 0.229 22 G C 0.165 175.060 174.900 -0.010 0.000 1.380 22 G CA -0.556 44.572 45.100 0.045 0.000 1.040 22 G HN 0.755 nan 8.290 nan 0.000 0.568 23 Q N -1.292 118.477 119.800 -0.052 0.000 2.187 23 Q HA 0.126 4.480 4.340 0.024 0.000 0.199 23 Q C 1.309 177.034 176.000 -0.458 0.000 0.957 23 Q CA 1.185 56.812 55.803 -0.294 0.000 0.857 23 Q CB 0.106 28.586 28.738 -0.431 0.000 0.929 23 Q HN 0.477 nan 8.270 nan 0.000 0.453 24 F N -1.035 118.936 119.950 0.035 0.000 2.706 24 F HA 0.437 4.978 4.527 0.024 0.000 0.313 24 F C 0.314 176.142 175.800 0.047 0.000 1.096 24 F CA -0.465 57.557 58.000 0.037 0.000 1.219 24 F CB 0.995 40.016 39.000 0.035 0.000 1.051 24 F HN -0.149 nan 8.300 nan 0.000 0.568 25 A N 0.643 123.571 122.820 0.179 0.000 2.454 25 A HA 0.802 5.137 4.320 0.024 0.000 0.302 25 A C -1.478 176.176 177.584 0.117 0.000 1.079 25 A CA -0.619 51.509 52.037 0.152 0.000 0.731 25 A CB 1.673 20.756 19.000 0.138 0.000 1.299 25 A HN 0.150 nan 8.150 nan 0.000 0.413 26 I N 1.685 122.346 120.570 0.152 0.000 2.512 26 I HA 0.540 4.724 4.170 0.024 0.000 0.287 26 I C -1.550 174.698 176.117 0.218 0.000 1.069 26 I CA -0.748 60.632 61.300 0.134 0.000 1.056 26 I CB 1.762 39.798 38.000 0.061 0.000 1.229 26 I HN 0.386 nan 8.210 nan 0.000 0.429 27 V N 7.526 127.532 119.914 0.154 0.000 2.394 27 V HA 0.500 4.634 4.120 0.024 0.000 0.282 27 V C -0.210 175.976 176.094 0.153 0.000 1.031 27 V CA -0.504 61.891 62.300 0.158 0.000 0.881 27 V CB 1.455 33.339 31.823 0.102 0.000 0.982 27 V HN 0.639 nan 8.190 nan 0.000 0.451 28 K N 3.051 123.572 120.400 0.201 0.000 2.422 28 K HA 0.472 4.807 4.320 0.024 0.000 0.251 28 K C -0.695 175.988 176.600 0.139 0.000 0.933 28 K CA -0.982 55.405 56.287 0.167 0.000 0.798 28 K CB 2.765 35.389 32.500 0.208 0.000 1.238 28 K HN 0.559 nan 8.250 nan 0.000 0.428 29 K N 2.197 122.660 120.400 0.105 0.000 2.401 29 K HA 0.164 4.498 4.320 0.024 0.000 0.278 29 K C -0.546 176.125 176.600 0.119 0.000 1.018 29 K CA -0.220 56.125 56.287 0.096 0.000 0.981 29 K CB 0.214 32.757 32.500 0.071 0.000 0.933 29 K HN 0.787 nan 8.250 nan 0.000 0.477 30 C N 1.973 121.359 119.300 0.143 0.000 3.171 30 C HA 0.751 5.226 4.460 0.024 0.000 0.308 30 C C -1.117 174.031 174.990 0.263 0.000 1.334 30 C CA -1.255 57.886 59.018 0.205 0.000 1.473 30 C CB 1.594 29.448 27.740 0.189 0.000 1.866 30 C HN 1.033 nan 8.230 nan 0.000 0.465 31 R N 0.810 121.498 120.500 0.315 0.000 2.533 31 R HA 0.435 4.789 4.340 0.024 0.000 0.288 31 R C -1.064 175.349 176.300 0.189 0.000 1.039 31 R CA -0.082 56.162 56.100 0.240 0.000 0.909 31 R CB 1.650 32.013 30.300 0.106 0.000 1.195 31 R HN 0.984 nan 8.270 nan 0.000 0.438 32 E N 3.270 123.524 120.200 0.090 0.000 2.217 32 E HA 0.027 4.391 4.350 0.024 0.000 0.279 32 E C 0.278 176.797 176.600 -0.136 0.000 1.068 32 E CA 0.059 56.260 56.400 -0.332 0.000 0.882 32 E CB 0.894 30.473 29.700 -0.202 0.000 1.039 32 E HN 0.472 nan 8.360 nan 0.000 0.418 33 K N 1.710 122.019 120.400 -0.152 0.000 2.152 33 K HA -0.187 4.147 4.320 0.024 0.000 0.206 33 K C 2.016 178.598 176.600 -0.031 0.000 1.048 33 K CA 1.683 57.933 56.287 -0.062 0.000 0.933 33 K CB -0.028 32.432 32.500 -0.067 0.000 0.721 33 K HN 0.508 nan 8.250 nan 0.000 0.447 34 S N 0.276 115.965 115.700 -0.020 0.000 2.387 34 S HA -0.123 4.362 4.470 0.024 0.000 0.226 34 S C 2.158 176.773 174.600 0.025 0.000 1.026 34 S CA 1.529 59.741 58.200 0.020 0.000 0.972 34 S CB -0.485 62.751 63.200 0.060 0.000 0.814 34 S HN 0.427 nan 8.310 nan 0.000 0.477 35 T N -3.365 111.206 114.554 0.029 0.000 3.023 35 T HA 0.501 4.865 4.350 0.024 0.000 0.249 35 T C 1.664 176.376 174.700 0.020 0.000 1.050 35 T CA 0.737 62.861 62.100 0.040 0.000 1.088 35 T CB -0.250 68.666 68.868 0.080 0.000 0.946 35 T HN 1.276 nan 8.240 nan 0.000 0.480 36 G N 1.526 110.333 108.800 0.012 0.000 2.136 36 G HA2 -0.186 3.788 3.960 0.024 0.000 0.242 36 G HA3 -0.186 3.788 3.960 0.024 0.000 0.242 36 G C -0.119 174.770 174.900 -0.018 0.000 0.989 36 G CA 0.218 45.317 45.100 -0.001 0.000 0.682 36 G HN 0.639 nan 8.290 nan 0.000 0.522 37 L N 0.267 121.482 121.223 -0.015 0.000 2.334 37 L HA 0.531 4.885 4.340 0.024 0.000 0.277 37 L C 0.621 177.368 176.870 -0.205 0.000 1.075 37 L CA -0.692 54.067 54.840 -0.135 0.000 0.804 37 L CB 1.157 43.117 42.059 -0.165 0.000 1.174 37 L HN 0.173 nan 8.230 nan 0.000 0.438 38 E N 1.833 121.818 120.200 -0.358 0.000 2.216 38 E HA 0.473 4.837 4.350 0.024 0.000 0.279 38 E C -1.541 174.739 176.600 -0.535 0.000 0.997 38 E CA -0.319 55.926 56.400 -0.259 0.000 0.817 38 E CB 1.517 31.137 29.700 -0.133 0.000 1.096 38 E HN 0.295 nan 8.360 nan 0.000 0.393 39 Y N -0.228 120.097 120.300 0.042 0.000 2.818 39 Y HA 0.605 5.169 4.550 0.023 0.000 0.322 39 Y C -0.555 175.357 175.900 0.021 0.000 1.323 39 Y CA -1.164 56.948 58.100 0.020 0.000 1.090 39 Y CB 1.447 39.922 38.460 0.025 0.000 1.328 39 Y HN 0.509 nan 8.280 nan 0.000 0.482 40 A N 0.545 123.481 122.820 0.193 0.000 2.318 40 A HA 0.823 5.157 4.320 0.024 0.000 0.317 40 A C -1.164 176.427 177.584 0.011 0.000 1.159 40 A CA -0.502 51.593 52.037 0.096 0.000 0.799 40 A CB 0.338 19.389 19.000 0.084 0.000 1.194 40 A HN 0.840 nan 8.150 nan 0.000 0.479 41 A N 2.760 125.560 122.820 -0.033 0.000 2.253 41 A HA 0.562 4.897 4.320 0.024 0.000 0.316 41 A C 0.064 177.525 177.584 -0.205 0.000 1.327 41 A CA -0.477 51.416 52.037 -0.239 0.000 0.917 41 A CB 0.120 18.910 19.000 -0.351 0.000 1.162 41 A HN 0.736 nan 8.150 nan 0.000 0.535 42 K N 3.386 123.636 120.400 -0.250 0.000 2.268 42 K HA 0.416 4.750 4.320 0.024 0.000 0.276 42 K C -1.553 174.920 176.600 -0.211 0.000 1.080 42 K CA -0.242 55.980 56.287 -0.108 0.000 0.910 42 K CB 0.143 32.613 32.500 -0.050 0.000 1.163 42 K HN 0.527 nan 8.250 nan 0.000 0.465 43 F N 6.006 125.944 119.950 -0.020 0.000 2.375 43 F HA 0.306 4.848 4.527 0.024 0.000 0.362 43 F C 0.225 176.032 175.800 0.012 0.000 1.129 43 F CA -0.546 57.445 58.000 -0.014 0.000 1.154 43 F CB 0.426 39.421 39.000 -0.009 0.000 1.205 43 F HN 0.264 nan 8.300 nan 0.000 0.513 44 I N 3.714 124.355 120.570 0.119 0.000 2.312 44 I HA 0.226 4.410 4.170 0.024 0.000 0.290 44 I C 0.083 176.271 176.117 0.118 0.000 1.008 44 I CA -1.010 60.354 61.300 0.108 0.000 1.226 44 I CB 1.204 39.229 38.000 0.042 0.000 1.371 44 I HN 0.343 nan 8.210 nan 0.000 0.468 45 K N 6.581 127.071 120.400 0.150 0.000 2.368 45 K HA 0.196 4.530 4.320 0.024 0.000 0.282 45 K C -0.434 176.226 176.600 0.100 0.000 1.035 45 K CA 0.016 56.386 56.287 0.138 0.000 0.973 45 K CB 0.533 33.136 32.500 0.171 0.000 0.957 45 K HN 0.372 nan 8.250 nan 0.000 0.474 46 K N 3.528 123.974 120.400 0.078 0.000 2.144 46 K HA 0.247 4.581 4.320 0.024 0.000 0.270 46 K C 0.037 176.662 176.600 0.042 0.000 1.005 46 K CA -0.679 55.638 56.287 0.049 0.000 0.932 46 K CB 1.086 33.618 32.500 0.054 0.000 1.021 46 K HN 0.486 nan 8.250 nan 0.000 0.462 47 R N 1.513 122.020 120.500 0.011 0.000 2.641 47 R HA -0.010 4.344 4.340 0.024 0.000 0.269 47 R C 1.359 177.673 176.300 0.022 0.000 1.074 47 R CA -0.042 56.064 56.100 0.009 0.000 1.133 47 R CB 0.590 30.877 30.300 -0.021 0.000 1.029 47 R HN 0.622 nan 8.270 nan 0.000 0.488 48 Q N 0.245 120.060 119.800 0.026 0.000 2.033 48 Q HA -0.026 4.328 4.340 0.024 0.000 0.196 48 Q C 0.781 176.791 176.000 0.018 0.000 0.970 48 Q CA 1.597 57.416 55.803 0.026 0.000 0.828 48 Q CB 0.367 29.122 28.738 0.028 0.000 0.895 48 Q HN 0.562 nan 8.270 nan 0.000 0.440 49 S N -1.728 113.980 115.700 0.014 0.000 4.098 49 S HA 0.233 4.718 4.470 0.024 0.000 0.193 49 S C 1.376 175.978 174.600 0.004 0.000 1.049 49 S CA -0.050 58.156 58.200 0.009 0.000 1.034 49 S CB 1.045 64.251 63.200 0.010 0.000 1.380 49 S HN 0.167 nan 8.310 nan 0.000 0.629 50 R N -0.110 120.392 120.500 0.004 0.000 3.353 50 R HA 0.348 4.702 4.340 0.024 0.000 0.123 50 R C 0.482 176.783 176.300 0.002 0.000 0.773 50 R CA 0.819 56.919 56.100 -0.000 0.000 1.642 50 R CB -0.406 29.895 30.300 0.001 0.000 1.666 50 R HN 0.276 nan 8.270 nan 0.000 0.485 51 A N 1.565 124.390 122.820 0.008 0.000 2.370 51 A HA 0.331 4.665 4.320 0.024 0.000 0.238 51 A C -0.116 177.481 177.584 0.022 0.000 1.289 51 A CA -0.137 51.908 52.037 0.012 0.000 0.885 51 A CB 0.007 19.014 19.000 0.011 0.000 0.961 51 A HN 0.242 nan 8.150 nan 0.000 0.499 52 S N 0.374 116.089 115.700 0.024 0.000 2.549 52 S HA 0.175 4.659 4.470 0.024 0.000 0.279 52 S C 1.516 176.156 174.600 0.066 0.000 1.321 52 S CA -0.145 58.080 58.200 0.042 0.000 1.054 52 S CB 1.010 64.234 63.200 0.040 0.000 0.899 52 S HN 0.739 nan 8.310 nan 0.000 0.497 53 R N 2.844 123.397 120.500 0.089 0.000 2.119 53 R HA 0.106 4.460 4.340 0.024 0.000 0.222 53 R C 0.222 176.678 176.300 0.260 0.000 1.088 53 R CA 0.573 56.754 56.100 0.135 0.000 0.984 53 R CB 0.131 30.486 30.300 0.093 0.000 0.884 53 R HN 0.415 nan 8.270 nan 0.000 0.447 54 R N 0.760 121.399 120.500 0.231 0.000 2.604 54 R HA 0.468 4.822 4.340 0.024 0.000 0.287 54 R C -0.569 175.896 176.300 0.275 0.000 0.970 54 R CA 0.183 56.497 56.100 0.356 0.000 0.946 54 R CB 1.955 32.370 30.300 0.191 0.000 1.127 54 R HN 0.468 nan 8.270 nan 0.000 0.473 55 G N 0.381 109.403 108.800 0.370 0.000 2.587 55 G HA2 -0.127 3.847 3.960 0.024 0.000 0.686 55 G HA3 -0.127 3.847 3.960 0.024 0.000 0.686 55 G C -1.364 173.365 174.900 -0.284 0.000 1.236 55 G CA -1.071 44.083 45.100 0.090 0.000 0.820 55 G HN 0.393 nan 8.290 nan 0.000 0.645 56 V N 1.298 121.089 119.914 -0.206 0.000 2.547 56 V HA 0.744 4.878 4.120 0.024 0.000 0.299 56 V C 1.212 177.230 176.094 -0.126 0.000 1.040 56 V CA 0.035 62.172 62.300 -0.271 0.000 0.913 56 V CB 1.686 33.401 31.823 -0.181 0.000 0.992 56 V HN 1.734 nan 8.190 nan 0.000 0.449 57 S N 3.788 119.416 115.700 -0.120 0.000 2.576 57 S HA 0.139 4.623 4.470 0.024 0.000 0.272 57 S C 1.082 175.671 174.600 -0.019 0.000 1.352 57 S CA -0.017 58.150 58.200 -0.055 0.000 1.021 57 S CB 0.785 63.956 63.200 -0.048 0.000 0.887 57 S HN 0.737 nan 8.310 nan 0.000 0.542 58 R N 1.171 121.673 120.500 0.003 0.000 2.083 58 R HA -0.178 4.176 4.340 0.024 0.000 0.237 58 R C 2.272 178.588 176.300 0.027 0.000 1.137 58 R CA 2.250 58.367 56.100 0.027 0.000 0.951 58 R CB -0.770 29.543 30.300 0.022 0.000 0.851 58 R HN 0.939 nan 8.270 nan 0.000 0.434 59 E N 0.116 120.323 120.200 0.012 0.000 2.058 59 E HA -0.252 4.113 4.350 0.024 0.000 0.194 59 E C 1.696 178.303 176.600 0.013 0.000 0.997 59 E CA 1.760 58.168 56.400 0.013 0.000 0.801 59 E CB -0.040 29.670 29.700 0.017 0.000 0.746 59 E HN 0.535 nan 8.360 nan 0.000 0.450 60 E N 0.001 120.204 120.200 0.005 0.000 2.106 60 E HA -0.146 4.219 4.350 0.024 0.000 0.192 60 E C 2.212 178.812 176.600 0.001 0.000 0.984 60 E CA 0.919 57.319 56.400 -0.001 0.000 0.806 60 E CB -0.008 29.677 29.700 -0.025 0.000 0.750 60 E HN 0.386 nan 8.360 nan 0.000 0.458 61 I N 1.214 121.790 120.570 0.010 0.000 2.202 61 I HA -0.255 3.930 4.170 0.024 0.000 0.242 61 I C 2.193 178.341 176.117 0.052 0.000 1.091 61 I CA 1.245 62.557 61.300 0.020 0.000 1.368 61 I CB -0.208 37.813 38.000 0.035 0.000 1.058 61 I HN 0.058 nan 8.210 nan 0.000 0.410 62 E N 0.319 120.573 120.200 0.091 0.000 2.204 62 E HA -0.237 4.128 4.350 0.024 0.000 0.195 62 E C 2.265 178.890 176.600 0.042 0.000 0.990 62 E CA 0.693 57.164 56.400 0.117 0.000 0.821 62 E CB -0.093 29.652 29.700 0.075 0.000 0.750 62 E HN 0.345 nan 8.360 nan 0.000 0.477 63 R N 1.139 121.640 120.500 0.003 0.000 2.066 63 R HA -0.167 4.187 4.340 0.024 0.000 0.232 63 R C 2.213 178.491 176.300 -0.036 0.000 1.131 63 R CA 1.511 57.586 56.100 -0.041 0.000 0.955 63 R CB -0.026 30.239 30.300 -0.059 0.000 0.851 63 R HN 0.127 nan 8.270 nan 0.000 0.432 64 E N -0.240 119.952 120.200 -0.014 0.000 2.051 64 E HA -0.164 4.200 4.350 0.024 0.000 0.192 64 E C 1.881 178.458 176.600 -0.037 0.000 0.991 64 E CA 1.569 57.964 56.400 -0.008 0.000 0.799 64 E CB 0.124 29.828 29.700 0.007 0.000 0.748 64 E HN 0.176 nan 8.360 nan 0.000 0.449 65 V N 0.477 120.376 119.914 -0.025 0.000 2.295 65 V HA -0.262 3.872 4.120 0.024 0.000 0.246 65 V C 2.464 178.544 176.094 -0.022 0.000 1.049 65 V CA 1.913 64.198 62.300 -0.025 0.000 1.024 65 V CB -0.713 31.137 31.823 0.044 0.000 0.648 65 V HN 0.310 nan 8.190 nan 0.000 0.447 66 S N -0.490 115.202 115.700 -0.014 0.000 2.383 66 S HA -0.159 4.325 4.470 0.024 0.000 0.229 66 S C 1.880 176.438 174.600 -0.070 0.000 1.030 66 S CA 1.804 59.982 58.200 -0.037 0.000 1.002 66 S CB -0.348 62.824 63.200 -0.047 0.000 0.829 66 S HN 0.522 nan 8.310 nan 0.000 0.467 67 I N 0.795 121.312 120.570 -0.089 0.000 2.286 67 I HA -0.093 4.091 4.170 0.024 0.000 0.245 67 I C 2.132 178.138 176.117 -0.186 0.000 1.104 67 I CA 0.871 62.098 61.300 -0.122 0.000 1.397 67 I CB -0.254 37.689 38.000 -0.095 0.000 1.072 67 I HN 0.270 nan 8.210 nan 0.000 0.417 68 L N 0.152 121.250 121.223 -0.208 0.000 2.131 68 L HA -0.160 4.194 4.340 0.024 0.000 0.210 68 L C 2.580 179.368 176.870 -0.136 0.000 1.092 68 L CA 1.205 55.898 54.840 -0.246 0.000 0.759 68 L CB -0.467 41.473 42.059 -0.199 0.000 0.903 68 L HN 0.149 nan 8.230 nan 0.000 0.435 69 R N -0.593 119.854 120.500 -0.089 0.000 2.189 69 R HA -0.123 4.231 4.340 0.024 0.000 0.223 69 R C 2.201 178.479 176.300 -0.037 0.000 1.092 69 R CA 0.847 56.915 56.100 -0.052 0.000 0.989 69 R CB -0.046 30.233 30.300 -0.036 0.000 0.876 69 R HN 0.506 nan 8.270 nan 0.000 0.457 70 Q N 0.130 119.900 119.800 -0.050 0.000 2.163 70 Q HA -0.000 4.354 4.340 0.024 0.000 0.198 70 Q C 0.565 176.586 176.000 0.035 0.000 0.954 70 Q CA 0.680 56.467 55.803 -0.026 0.000 0.851 70 Q CB 0.384 29.087 28.738 -0.059 0.000 0.928 70 Q HN 0.166 nan 8.270 nan 0.000 0.459 71 V N -0.086 119.846 119.914 0.030 0.000 2.455 71 V HA 0.347 4.481 4.120 0.024 0.000 0.273 71 V C -0.338 175.847 176.094 0.152 0.000 1.045 71 V CA -0.136 62.282 62.300 0.196 0.000 0.976 71 V CB 0.456 32.337 31.823 0.096 0.000 0.993 71 V HN 0.106 nan 8.190 nan 0.000 0.475 72 L N 6.279 127.632 121.223 0.217 0.000 2.492 72 L HA 0.598 4.952 4.340 0.024 0.000 0.258 72 L C -0.562 176.156 176.870 -0.253 0.000 1.028 72 L CA -0.112 54.737 54.840 0.015 0.000 0.900 72 L CB 0.691 42.785 42.059 0.057 0.000 1.191 72 L HN 0.885 nan 8.230 nan 0.000 0.459 73 H N 1.932 120.721 119.070 -0.467 0.000 2.996 73 H HA 0.228 4.799 4.556 0.027 0.000 0.368 73 H C 0.067 175.202 175.328 -0.321 0.000 1.185 73 H CA -0.498 55.170 56.048 -0.633 0.000 1.160 73 H CB 1.999 31.037 29.762 -1.208 0.000 1.820 73 H HN 0.698 nan 8.280 nan 0.000 0.547 74 H N 2.465 121.104 119.070 -0.718 0.000 2.559 74 H HA 0.029 4.600 4.556 0.025 0.000 0.273 74 H C -0.258 174.968 175.328 -0.171 0.000 1.000 74 H CA 0.688 56.500 56.048 -0.393 0.000 1.195 74 H CB 0.036 29.543 29.762 -0.424 0.000 1.368 74 H HN 0.451 nan 8.280 nan 0.000 0.592 75 N N 0.244 118.796 118.700 -0.247 0.000 2.214 75 N HA 0.201 4.956 4.740 0.024 0.000 0.214 75 N C -0.980 174.604 175.510 0.123 0.000 1.132 75 N CA -0.164 52.910 53.050 0.040 0.000 0.856 75 N CB 1.437 39.970 38.487 0.076 0.000 1.020 75 N HN -0.033 nan 8.380 nan 0.000 0.509 76 V N 1.192 121.177 119.914 0.118 0.000 2.789 76 V HA 0.315 4.449 4.120 0.024 0.000 0.311 76 V C -0.037 176.132 176.094 0.125 0.000 1.073 76 V CA -1.131 61.273 62.300 0.173 0.000 0.921 76 V CB 2.597 34.540 31.823 0.200 0.000 1.009 76 V HN 0.108 nan 8.190 nan 0.000 0.426 77 I N 3.849 124.527 120.570 0.180 0.000 2.815 77 I HA 0.179 4.364 4.170 0.024 0.000 0.291 77 I C 0.673 176.823 176.117 0.055 0.000 1.209 77 I CA 0.668 62.045 61.300 0.128 0.000 1.431 77 I CB 1.067 39.175 38.000 0.181 0.000 1.351 77 I HN 0.949 nan 8.210 nan 0.000 0.585 78 T N 6.065 120.653 114.554 0.057 0.000 2.859 78 T HA 0.460 4.824 4.350 0.024 0.000 0.281 78 T C -0.478 174.256 174.700 0.056 0.000 1.005 78 T CA -0.916 61.208 62.100 0.041 0.000 1.025 78 T CB 1.646 70.550 68.868 0.059 0.000 0.977 78 T HN 0.479 nan 8.240 nan 0.000 0.458 79 L N 2.244 123.479 121.223 0.020 0.000 2.350 79 L HA 0.458 4.813 4.340 0.024 0.000 0.275 79 L C 0.809 177.715 176.870 0.060 0.000 1.099 79 L CA 0.096 54.945 54.840 0.015 0.000 0.808 79 L CB 1.015 43.047 42.059 -0.045 0.000 1.149 79 L HN 0.970 nan 8.230 nan 0.000 0.442 80 H N 1.642 120.665 119.070 -0.078 0.000 2.393 80 H HA 0.391 4.961 4.556 0.023 0.000 0.301 80 H C -0.495 174.757 175.328 -0.127 0.000 1.019 80 H CA 0.644 56.616 56.048 -0.127 0.000 1.311 80 H CB 0.641 30.196 29.762 -0.345 0.000 1.475 80 H HN 0.685 nan 8.280 nan 0.000 0.572 81 D N -0.711 119.544 120.400 -0.242 0.000 2.622 81 D HA 0.339 4.993 4.640 0.024 0.000 0.255 81 D C -1.558 174.653 176.300 -0.149 0.000 1.246 81 D CA -0.453 53.399 54.000 -0.246 0.000 0.795 81 D CB 2.511 43.176 40.800 -0.225 0.000 1.369 81 D HN 0.024 nan 8.370 nan 0.000 0.425 82 V N 2.203 122.006 119.914 -0.185 0.000 2.577 82 V HA 0.500 4.634 4.120 0.024 0.000 0.303 82 V C -1.025 174.915 176.094 -0.256 0.000 1.042 82 V CA -0.654 61.493 62.300 -0.256 0.000 0.872 82 V CB 1.396 32.938 31.823 -0.468 0.000 0.998 82 V HN 0.448 nan 8.190 nan 0.000 0.423 83 Y N 1.745 121.866 120.300 -0.298 0.000 2.549 83 Y HA 0.713 5.277 4.550 0.023 0.000 0.339 83 Y C 0.166 175.976 175.900 -0.150 0.000 1.053 83 Y CA -0.932 57.067 58.100 -0.169 0.000 1.105 83 Y CB 2.060 40.428 38.460 -0.154 0.000 1.258 83 Y HN 0.676 nan 8.280 nan 0.000 0.478 84 E N 1.869 122.147 120.200 0.131 0.000 2.278 84 E HA 0.317 4.681 4.350 0.024 0.000 0.272 84 E C -1.563 175.120 176.600 0.138 0.000 0.890 84 E CA -0.653 55.822 56.400 0.124 0.000 0.770 84 E CB 1.254 31.078 29.700 0.207 0.000 1.212 84 E HN 0.831 nan 8.360 nan 0.000 0.415 85 N N 2.147 120.922 118.700 0.125 0.000 3.124 85 N HA 0.292 5.047 4.740 0.024 0.000 0.350 85 N C 0.984 176.552 175.510 0.097 0.000 1.411 85 N CA -0.527 52.593 53.050 0.117 0.000 0.729 85 N CB 0.178 38.741 38.487 0.127 0.000 1.379 85 N HN 0.402 nan 8.380 nan 0.000 0.599 86 R N -1.006 119.545 120.500 0.085 0.000 2.115 86 R HA -0.032 4.322 4.340 0.024 0.000 0.230 86 R C 1.008 177.349 176.300 0.070 0.000 1.111 86 R CA 2.232 58.374 56.100 0.070 0.000 0.976 86 R CB -1.785 28.550 30.300 0.059 0.000 0.870 86 R HN 0.814 nan 8.270 nan 0.000 0.445 87 T N -2.611 111.991 114.554 0.079 0.000 3.046 87 T HA 0.157 4.522 4.350 0.024 0.000 0.242 87 T C 0.075 174.831 174.700 0.093 0.000 1.018 87 T CA -0.083 62.065 62.100 0.079 0.000 1.131 87 T CB 0.255 69.168 68.868 0.074 0.000 0.904 87 T HN 0.055 nan 8.240 nan 0.000 0.459 88 D N 0.742 121.209 120.400 0.112 0.000 2.350 88 D HA 0.633 5.287 4.640 0.024 0.000 0.238 88 D C -1.176 175.169 176.300 0.077 0.000 0.989 88 D CA -0.611 53.462 54.000 0.121 0.000 0.921 88 D CB 2.470 43.398 40.800 0.213 0.000 1.297 88 D HN 0.066 nan 8.370 nan 0.000 0.490 89 V N 1.327 121.255 119.914 0.024 0.000 2.370 89 V HA 0.317 4.451 4.120 0.024 0.000 0.283 89 V C -0.126 175.874 176.094 -0.157 0.000 1.023 89 V CA -0.736 61.517 62.300 -0.079 0.000 0.857 89 V CB 1.609 33.353 31.823 -0.131 0.000 0.985 89 V HN 0.286 nan 8.190 nan 0.000 0.443 90 V N 6.644 126.424 119.914 -0.223 0.000 2.347 90 V HA 0.438 4.572 4.120 0.024 0.000 0.280 90 V C -0.064 175.818 176.094 -0.352 0.000 1.021 90 V CA -0.537 61.528 62.300 -0.392 0.000 0.847 90 V CB 1.385 32.856 31.823 -0.585 0.000 0.990 90 V HN 0.618 nan 8.190 nan 0.000 0.444 91 L N 5.706 126.727 121.223 -0.336 0.000 2.264 91 L HA 0.498 4.852 4.340 0.024 0.000 0.289 91 L C -0.447 176.273 176.870 -0.250 0.000 1.044 91 L CA -0.546 54.140 54.840 -0.257 0.000 0.807 91 L CB 1.177 43.126 42.059 -0.183 0.000 1.192 91 L HN 0.423 nan 8.230 nan 0.000 0.425 92 I N 5.504 125.945 120.570 -0.215 0.000 2.301 92 I HA 0.348 4.532 4.170 0.024 0.000 0.292 92 I C 0.150 176.231 176.117 -0.061 0.000 1.046 92 I CA -0.008 61.173 61.300 -0.198 0.000 1.282 92 I CB 0.651 38.509 38.000 -0.237 0.000 1.409 92 I HN 0.502 nan 8.210 nan 0.000 0.484 93 L N 4.345 125.575 121.223 0.011 0.000 2.303 93 L HA 0.458 4.813 4.340 0.024 0.000 0.266 93 L C 0.693 177.693 176.870 0.215 0.000 1.011 93 L CA -0.953 53.940 54.840 0.090 0.000 0.818 93 L CB 1.575 43.669 42.059 0.059 0.000 1.326 93 L HN 0.505 nan 8.230 nan 0.000 0.435 94 E N 1.274 121.593 120.200 0.198 0.000 2.465 94 E HA -0.001 4.363 4.350 0.024 0.000 0.260 94 E C -0.902 175.771 176.600 0.121 0.000 0.980 94 E CA -0.526 55.984 56.400 0.183 0.000 0.927 94 E CB 0.842 30.613 29.700 0.118 0.000 0.934 94 E HN 0.303 nan 8.360 nan 0.000 0.459 95 L N 6.131 127.393 121.223 0.064 0.000 2.369 95 L HA 0.173 4.527 4.340 0.024 0.000 0.279 95 L C -1.187 175.700 176.870 0.028 0.000 1.108 95 L CA -0.019 54.841 54.840 0.034 0.000 0.852 95 L CB 0.956 43.002 42.059 -0.023 0.000 1.169 95 L HN 0.292 nan 8.230 nan 0.000 0.452 96 V N 4.698 124.640 119.914 0.047 0.000 2.448 96 V HA 0.510 4.644 4.120 0.024 0.000 0.295 96 V C 0.405 176.523 176.094 0.041 0.000 1.025 96 V CA 0.238 62.565 62.300 0.045 0.000 0.859 96 V CB 1.343 33.203 31.823 0.061 0.000 0.988 96 V HN 0.900 nan 8.190 nan 0.000 0.431 97 S N 1.347 117.065 115.700 0.031 0.000 2.817 97 S HA 0.145 4.630 4.470 0.024 0.000 0.262 97 S C 1.374 175.991 174.600 0.030 0.000 1.051 97 S CA 0.405 58.623 58.200 0.031 0.000 1.185 97 S CB 0.717 63.930 63.200 0.023 0.000 1.152 97 S HN 0.857 nan 8.310 nan 0.000 0.653 98 G N 1.384 110.197 108.800 0.023 0.000 2.920 98 G HA2 0.483 4.457 3.960 0.024 0.000 0.208 98 G HA3 0.483 4.457 3.960 0.024 0.000 0.208 98 G C 0.971 175.889 174.900 0.030 0.000 1.159 98 G CA 0.180 45.288 45.100 0.012 0.000 0.784 98 G HN 1.289 nan 8.290 nan 0.000 0.535 99 G N -0.243 108.586 108.800 0.047 0.000 2.796 99 G HA2 -0.183 3.792 3.960 0.024 0.000 0.571 99 G HA3 -0.183 3.792 3.960 0.024 0.000 0.571 99 G C -0.354 174.590 174.900 0.073 0.000 1.370 99 G CA -0.514 44.630 45.100 0.072 0.000 0.856 99 G HN 0.445 nan 8.290 nan 0.000 0.538 100 E N -0.454 119.809 120.200 0.105 0.000 2.383 100 E HA 0.288 4.652 4.350 0.024 0.000 0.264 100 E C 1.581 178.256 176.600 0.125 0.000 1.050 100 E CA -0.171 56.294 56.400 0.108 0.000 0.896 100 E CB 1.177 30.970 29.700 0.155 0.000 0.982 100 E HN 0.619 nan 8.360 nan 0.000 0.424 101 L N 3.318 124.609 121.223 0.114 0.000 2.042 101 L HA -0.195 4.159 4.340 0.024 0.000 0.210 101 L C 1.598 178.618 176.870 0.249 0.000 1.076 101 L CA 1.819 56.734 54.840 0.125 0.000 0.749 101 L CB -0.293 41.831 42.059 0.109 0.000 0.893 101 L HN 0.568 nan 8.230 nan 0.000 0.432 102 F N 0.301 120.258 119.950 0.012 0.000 2.216 102 F HA -0.174 4.367 4.527 0.023 0.000 0.300 102 F C 2.361 177.921 175.800 -0.401 0.000 1.085 102 F CA 1.445 59.448 58.000 0.006 0.000 1.326 102 F CB -1.058 38.002 39.000 0.101 0.000 1.027 102 F HN 0.316 nan 8.300 nan 0.000 0.497 103 D N -0.616 119.695 120.400 -0.148 0.000 2.097 103 D HA -0.253 4.401 4.640 0.024 0.000 0.195 103 D C 2.222 178.483 176.300 -0.066 0.000 0.989 103 D CA 1.129 55.013 54.000 -0.193 0.000 0.827 103 D CB -0.375 40.515 40.800 0.149 0.000 0.966 103 D HN 0.204 nan 8.370 nan 0.000 0.456 104 F N 0.587 120.473 119.950 -0.107 0.000 2.134 104 F HA -0.102 4.439 4.527 0.023 0.000 0.299 104 F C 1.914 177.610 175.800 -0.173 0.000 1.097 104 F CA 1.199 59.126 58.000 -0.122 0.000 1.264 104 F CB -0.150 38.765 39.000 -0.142 0.000 1.001 104 F HN -0.017 nan 8.300 nan 0.000 0.479 105 L N 0.246 121.301 121.223 -0.279 0.000 2.046 105 L HA -0.214 4.140 4.340 0.024 0.000 0.208 105 L C 2.822 179.450 176.870 -0.403 0.000 1.077 105 L CA 1.151 55.703 54.840 -0.480 0.000 0.747 105 L CB -1.251 40.440 42.059 -0.614 0.000 0.896 105 L HN 0.258 nan 8.230 nan 0.000 0.432 106 A N -0.706 122.017 122.820 -0.161 0.000 2.131 106 A HA -0.256 4.078 4.320 0.024 0.000 0.220 106 A C 2.130 179.641 177.584 -0.122 0.000 1.158 106 A CA 1.587 53.608 52.037 -0.027 0.000 0.665 106 A CB -0.366 18.597 19.000 -0.061 0.000 0.795 106 A HN 0.416 nan 8.150 nan 0.000 0.460 107 Q N -0.234 119.417 119.800 -0.248 0.000 2.398 107 Q HA 0.112 4.466 4.340 0.024 0.000 0.204 107 Q C 0.115 175.949 176.000 -0.277 0.000 0.932 107 Q CA 0.568 56.227 55.803 -0.240 0.000 0.916 107 Q CB 0.176 28.755 28.738 -0.265 0.000 1.024 107 Q HN 0.570 nan 8.270 nan 0.000 0.504 108 K N 1.142 121.328 120.400 -0.357 0.000 2.249 108 K HA 0.022 4.356 4.320 0.024 0.000 0.280 108 K C 0.741 177.230 176.600 -0.184 0.000 1.033 108 K CA -0.073 56.031 56.287 -0.304 0.000 0.946 108 K CB 0.762 33.050 32.500 -0.352 0.000 1.005 108 K HN 0.210 nan 8.250 nan 0.000 0.469 109 E N 0.756 120.875 120.200 -0.136 0.000 2.204 109 E HA -0.107 4.257 4.350 0.024 0.000 0.194 109 E C 0.204 176.748 176.600 -0.095 0.000 0.989 109 E CA 0.567 56.910 56.400 -0.095 0.000 0.824 109 E CB 0.086 29.744 29.700 -0.070 0.000 0.756 109 E HN 0.494 nan 8.360 nan 0.000 0.477 110 S N -0.165 115.472 115.700 -0.106 0.000 2.565 110 S HA 0.582 5.067 4.470 0.024 0.000 0.269 110 S C -1.376 173.157 174.600 -0.111 0.000 1.153 110 S CA -1.162 56.975 58.200 -0.104 0.000 0.835 110 S CB 2.186 65.339 63.200 -0.079 0.000 1.122 110 S HN 0.129 nan 8.310 nan 0.000 0.462 111 L N 2.274 123.427 121.223 -0.116 0.000 2.482 111 L HA 0.707 5.061 4.340 0.024 0.000 0.269 111 L C -0.173 176.654 176.870 -0.072 0.000 0.967 111 L CA 0.078 54.859 54.840 -0.099 0.000 0.851 111 L CB 2.079 44.041 42.059 -0.161 0.000 1.242 111 L HN 1.087 nan 8.230 nan 0.000 0.404 112 S N 2.094 117.768 115.700 -0.043 0.000 2.652 112 S HA 0.386 4.870 4.470 0.024 0.000 0.270 112 S C 0.710 175.303 174.600 -0.010 0.000 1.243 112 S CA -0.413 57.771 58.200 -0.027 0.000 0.999 112 S CB 1.217 64.398 63.200 -0.031 0.000 0.973 112 S HN 0.749 nan 8.310 nan 0.000 0.544 113 E N 0.370 120.587 120.200 0.028 0.000 2.204 113 E HA -0.165 4.199 4.350 0.024 0.000 0.194 113 E C 1.790 178.319 176.600 -0.118 0.000 0.989 113 E CA 0.960 57.401 56.400 0.068 0.000 0.824 113 E CB -0.056 29.797 29.700 0.256 0.000 0.756 113 E HN 0.867 nan 8.360 nan 0.000 0.477 114 E N 1.155 121.285 120.200 -0.118 0.000 2.051 114 E HA -0.229 4.136 4.350 0.024 0.000 0.192 114 E C 1.722 178.202 176.600 -0.200 0.000 0.991 114 E CA 1.088 57.378 56.400 -0.183 0.000 0.799 114 E CB 0.147 29.773 29.700 -0.124 0.000 0.748 114 E HN 0.262 nan 8.360 nan 0.000 0.449 115 E N 0.114 120.235 120.200 -0.132 0.000 2.077 115 E HA -0.189 4.175 4.350 0.024 0.000 0.193 115 E C 2.037 178.592 176.600 -0.075 0.000 0.989 115 E CA 0.897 57.220 56.400 -0.128 0.000 0.800 115 E CB -0.140 29.552 29.700 -0.013 0.000 0.746 115 E HN 0.324 nan 8.360 nan 0.000 0.452 116 A N 1.263 124.079 122.820 -0.006 0.000 1.883 116 A HA -0.226 4.109 4.320 0.024 0.000 0.217 116 A C 2.487 180.027 177.584 -0.074 0.000 1.186 116 A CA 2.338 54.414 52.037 0.066 0.000 0.624 116 A CB -1.241 17.799 19.000 0.068 0.000 0.822 116 A HN 0.417 nan 8.150 nan 0.000 0.444 117 T N -2.597 111.738 114.554 -0.366 0.000 2.833 117 T HA -0.112 4.252 4.350 0.024 0.000 0.269 117 T C 1.998 176.499 174.700 -0.332 0.000 1.054 117 T CA 1.704 63.457 62.100 -0.577 0.000 1.135 117 T CB -0.583 67.754 68.868 -0.885 0.000 0.869 117 T HN 0.285 nan 8.240 nan 0.000 0.466 118 S N 1.327 116.841 115.700 -0.310 0.000 2.359 118 S HA 0.019 4.503 4.470 0.024 0.000 0.224 118 S C 1.574 176.015 174.600 -0.265 0.000 1.035 118 S CA 1.298 59.302 58.200 -0.326 0.000 1.018 118 S CB -0.642 62.279 63.200 -0.464 0.000 0.876 118 S HN 0.599 nan 8.310 nan 0.000 0.448 119 F N 1.172 121.088 119.950 -0.055 0.000 2.146 119 F HA 0.005 4.546 4.527 0.023 0.000 0.298 119 F C 2.087 177.896 175.800 0.014 0.000 1.096 119 F CA 0.679 58.677 58.000 -0.003 0.000 1.275 119 F CB -0.436 38.578 39.000 0.023 0.000 1.008 119 F HN 0.139 nan 8.300 nan 0.000 0.480 120 I N 0.187 120.851 120.570 0.156 0.000 2.226 120 I HA -0.308 3.876 4.170 0.024 0.000 0.245 120 I C 2.453 178.612 176.117 0.070 0.000 1.100 120 I CA 1.397 62.768 61.300 0.119 0.000 1.374 120 I CB -0.428 37.614 38.000 0.070 0.000 1.057 120 I HN 0.059 nan 8.210 nan 0.000 0.413 121 K N 0.759 121.153 120.400 -0.009 0.000 2.097 121 K HA -0.230 4.104 4.320 0.024 0.000 0.206 121 K C 2.154 178.784 176.600 0.050 0.000 1.049 121 K CA 1.398 57.685 56.287 -0.000 0.000 0.933 121 K CB -0.005 32.463 32.500 -0.053 0.000 0.717 121 K HN 0.356 nan 8.250 nan 0.000 0.442 122 Q N 0.265 120.107 119.800 0.071 0.000 2.061 122 Q HA -0.193 4.161 4.340 0.024 0.000 0.204 122 Q C 2.155 178.212 176.000 0.096 0.000 0.984 122 Q CA 1.925 57.794 55.803 0.110 0.000 0.846 122 Q CB -0.201 28.630 28.738 0.154 0.000 0.902 122 Q HN 0.411 nan 8.270 nan 0.000 0.421 123 I N 0.586 121.214 120.570 0.096 0.000 2.179 123 I HA -0.296 3.889 4.170 0.024 0.000 0.242 123 I C 2.240 178.375 176.117 0.031 0.000 1.088 123 I CA 1.070 62.408 61.300 0.062 0.000 1.357 123 I CB -0.361 37.687 38.000 0.080 0.000 1.051 123 I HN 0.170 nan 8.210 nan 0.000 0.409 124 L N 0.315 121.571 121.223 0.056 0.000 2.079 124 L HA -0.242 4.113 4.340 0.024 0.000 0.210 124 L C 2.108 178.980 176.870 0.003 0.000 1.081 124 L CA 1.204 56.068 54.840 0.041 0.000 0.752 124 L CB -0.744 41.370 42.059 0.092 0.000 0.896 124 L HN 0.292 nan 8.230 nan 0.000 0.433 125 D N 0.022 120.436 120.400 0.025 0.000 2.144 125 D HA -0.107 4.547 4.640 0.024 0.000 0.200 125 D C 2.131 178.352 176.300 -0.131 0.000 0.978 125 D CA 1.454 55.463 54.000 0.016 0.000 0.833 125 D CB -0.171 40.699 40.800 0.116 0.000 0.961 125 D HN 0.337 nan 8.370 nan 0.000 0.470 126 G N 0.559 109.301 108.800 -0.097 0.000 2.394 126 G HA2 -0.159 3.815 3.960 0.024 0.000 0.215 126 G HA3 -0.159 3.815 3.960 0.024 0.000 0.215 126 G C 1.849 176.689 174.900 -0.101 0.000 1.165 126 G CA 0.530 45.536 45.100 -0.157 0.000 0.784 126 G HN 0.217 nan 8.290 nan 0.000 0.535 127 V N 1.477 121.328 119.914 -0.105 0.000 2.358 127 V HA -0.191 3.943 4.120 0.024 0.000 0.246 127 V C 2.593 178.529 176.094 -0.263 0.000 1.047 127 V CA 1.971 64.152 62.300 -0.199 0.000 1.035 127 V CB -0.578 31.073 31.823 -0.286 0.000 0.658 127 V HN 0.456 nan 8.190 nan 0.000 0.452 128 N N 0.045 118.643 118.700 -0.170 0.000 2.069 128 N HA -0.273 4.481 4.740 0.024 0.000 0.191 128 N C 1.824 177.319 175.510 -0.024 0.000 1.031 128 N CA 2.048 55.049 53.050 -0.081 0.000 0.852 128 N CB -0.468 38.005 38.487 -0.023 0.000 1.018 128 N HN 0.583 nan 8.380 nan 0.000 0.423 129 Y N 0.642 120.813 120.300 -0.215 0.000 2.207 129 Y HA -0.095 4.471 4.550 0.027 0.000 0.287 129 Y C 1.906 177.764 175.900 -0.070 0.000 1.156 129 Y CA 1.534 59.509 58.100 -0.208 0.000 1.182 129 Y CB -0.250 37.894 38.460 -0.526 0.000 0.979 129 Y HN 0.124 nan 8.280 nan 0.000 0.521 130 L N -1.093 120.125 121.223 -0.008 0.000 2.027 130 L HA -0.236 4.118 4.340 0.024 0.000 0.206 130 L C 2.473 179.385 176.870 0.071 0.000 1.074 130 L CA 1.635 56.498 54.840 0.037 0.000 0.745 130 L CB -0.859 41.336 42.059 0.227 0.000 0.898 130 L HN 0.317 nan 8.230 nan 0.000 0.433 131 H N -0.859 118.172 119.070 -0.064 0.000 2.421 131 H HA -0.125 4.447 4.556 0.027 0.000 0.298 131 H C 2.234 177.518 175.328 -0.073 0.000 1.087 131 H CA 1.342 57.356 56.048 -0.056 0.000 1.330 131 H CB 0.142 29.890 29.762 -0.023 0.000 1.388 131 H HN 0.340 nan 8.280 nan 0.000 0.526 132 T N 0.916 115.486 114.554 0.028 0.000 2.788 132 T HA -0.102 4.262 4.350 0.024 0.000 0.268 132 T C 1.588 176.232 174.700 -0.093 0.000 1.044 132 T CA 1.096 63.172 62.100 -0.040 0.000 1.139 132 T CB -0.038 68.790 68.868 -0.067 0.000 0.867 132 T HN 0.333 nan 8.240 nan 0.000 0.454 133 K N 0.609 120.914 120.400 -0.157 0.000 2.476 133 K HA 0.160 4.494 4.320 0.024 0.000 0.196 133 K C 0.125 176.660 176.600 -0.108 0.000 1.025 133 K CA -0.047 56.142 56.287 -0.163 0.000 1.138 133 K CB 0.213 32.558 32.500 -0.258 0.000 0.860 133 K HN 0.133 nan 8.250 nan 0.000 0.515 134 K N 0.367 120.716 120.400 -0.085 0.000 3.069 134 K HA -0.174 4.160 4.320 0.024 0.000 0.267 134 K C -0.679 175.860 176.600 -0.102 0.000 1.082 134 K CA 0.665 56.898 56.287 -0.091 0.000 0.782 134 K CB -1.673 30.784 32.500 -0.072 0.000 1.230 134 K HN 0.247 nan 8.250 nan 0.000 0.488 135 I N 0.711 121.231 120.570 -0.082 0.000 2.339 135 I HA 0.395 4.580 4.170 0.024 0.000 0.290 135 I C 0.394 176.475 176.117 -0.060 0.000 0.994 135 I CA -0.779 60.489 61.300 -0.053 0.000 1.191 135 I CB 1.619 39.623 38.000 0.005 0.000 1.343 135 I HN 0.185 nan 8.210 nan 0.000 0.458 136 A N 5.142 127.838 122.820 -0.205 0.000 2.290 136 A HA 0.279 4.614 4.320 0.024 0.000 0.310 136 A C 0.758 178.159 177.584 -0.306 0.000 1.202 136 A CA -0.387 51.391 52.037 -0.432 0.000 0.837 136 A CB 0.384 18.735 19.000 -1.082 0.000 1.139 136 A HN 0.872 nan 8.150 nan 0.000 0.509 137 H N 2.112 121.053 119.070 -0.215 0.000 2.343 137 H HA -0.101 4.468 4.556 0.021 0.000 0.303 137 H C 0.106 175.432 175.328 -0.003 0.000 1.068 137 H CA 2.186 58.151 56.048 -0.137 0.000 1.359 137 H CB -0.041 29.612 29.762 -0.181 0.000 1.402 137 H HN 0.814 nan 8.280 nan 0.000 0.515 138 F N -0.335 119.770 119.950 0.257 0.000 2.825 138 F HA -0.231 4.307 4.527 0.017 0.000 0.358 138 F C 0.375 176.363 175.800 0.312 0.000 0.639 138 F CA 1.357 59.536 58.000 0.299 0.000 1.153 138 F CB -1.619 37.486 39.000 0.174 0.000 1.610 138 F HN 0.317 nan 8.300 nan 0.000 0.305 139 D N 0.450 121.164 120.400 0.523 0.000 2.865 139 D HA 0.304 4.958 4.640 0.024 0.000 0.347 139 D C -0.244 176.210 176.300 0.255 0.000 1.498 139 D CA -0.003 54.217 54.000 0.366 0.000 0.787 139 D CB 0.048 40.964 40.800 0.192 0.000 1.190 139 D HN 0.118 nan 8.370 nan 0.000 0.445 140 L N 2.182 123.492 121.223 0.145 0.000 2.385 140 L HA 0.287 4.641 4.340 0.024 0.000 0.281 140 L C 0.374 177.131 176.870 -0.189 0.000 1.106 140 L CA 0.349 55.114 54.840 -0.125 0.000 0.856 140 L CB 0.079 42.082 42.059 -0.093 0.000 1.186 140 L HN 0.071 nan 8.230 nan 0.000 0.453 141 K N 2.416 122.603 120.400 -0.355 0.000 2.575 141 K HA 0.455 4.789 4.320 0.024 0.000 0.279 141 K C -2.754 173.513 176.600 -0.556 0.000 0.969 141 K CA -1.668 54.184 56.287 -0.725 0.000 0.868 141 K CB 1.486 33.360 32.500 -1.044 0.000 1.457 141 K HN -0.162 nan 8.250 nan 0.000 0.426 142 P HA -0.289 nan 4.420 nan 0.000 0.217 142 P C 1.056 178.131 177.300 -0.376 0.000 1.148 142 P CA 1.854 64.523 63.100 -0.719 0.000 0.834 142 P CB 0.179 31.235 31.700 -1.074 0.000 0.783 143 E N 0.003 120.040 120.200 -0.270 0.000 2.110 143 E HA -0.195 4.169 4.350 0.024 0.000 0.193 143 E C 1.278 177.824 176.600 -0.091 0.000 0.988 143 E CA 1.588 57.916 56.400 -0.120 0.000 0.804 143 E CB -1.096 28.555 29.700 -0.082 0.000 0.745 143 E HN 0.129 nan 8.360 nan 0.000 0.458 144 N N 0.298 118.919 118.700 -0.132 0.000 2.370 144 N HA 0.064 4.818 4.740 0.024 0.000 0.198 144 N C -0.583 174.865 175.510 -0.103 0.000 1.156 144 N CA 0.208 53.206 53.050 -0.086 0.000 0.839 144 N CB 0.416 38.859 38.487 -0.073 0.000 0.989 144 N HN 0.233 nan 8.380 nan 0.000 0.468 145 I N 1.650 122.152 120.570 -0.115 0.000 2.361 145 I HA 0.294 4.478 4.170 0.024 0.000 0.282 145 I C 0.180 176.287 176.117 -0.016 0.000 1.075 145 I CA -0.099 61.159 61.300 -0.069 0.000 1.205 145 I CB 0.095 38.044 38.000 -0.085 0.000 1.406 145 I HN -0.193 nan 8.210 nan 0.000 0.481 146 M N 5.688 125.296 119.600 0.013 0.000 2.753 146 M HA 0.629 5.123 4.480 0.024 0.000 0.299 146 M C -0.185 176.133 176.300 0.030 0.000 1.219 146 M CA -0.714 54.604 55.300 0.030 0.000 0.900 146 M CB 2.181 34.807 32.600 0.043 0.000 1.628 146 M HN 0.245 nan 8.290 nan 0.000 0.502 147 L N 0.333 121.566 121.223 0.016 0.000 2.341 147 L HA 0.444 4.798 4.340 0.024 0.000 0.267 147 L C 0.956 177.831 176.870 0.009 0.000 1.009 147 L CA -0.605 54.230 54.840 -0.008 0.000 0.819 147 L CB 2.030 44.033 42.059 -0.094 0.000 1.323 147 L HN 0.613 nan 8.230 nan 0.000 0.425 148 L N -0.087 121.149 121.223 0.021 0.000 2.049 148 L HA 0.094 4.449 4.340 0.024 0.000 0.203 148 L C 0.116 176.986 176.870 -0.000 0.000 1.074 148 L CA 1.299 56.156 54.840 0.028 0.000 0.749 148 L CB 0.138 42.237 42.059 0.067 0.000 0.907 148 L HN 0.627 nan 8.230 nan 0.000 0.439 149 D N -0.964 119.416 120.400 -0.034 0.000 2.855 149 D HA 0.101 4.755 4.640 0.024 0.000 0.241 149 D C 0.039 176.263 176.300 -0.126 0.000 1.277 149 D CA -0.375 53.594 54.000 -0.052 0.000 0.918 149 D CB 1.591 42.373 40.800 -0.031 0.000 1.462 149 D HN 0.103 nan 8.370 nan 0.000 0.559 150 K N 1.917 122.261 120.400 -0.093 0.000 2.487 150 K HA 0.151 4.485 4.320 0.024 0.000 0.192 150 K C 0.249 176.833 176.600 -0.027 0.000 1.027 150 K CA 0.280 56.490 56.287 -0.129 0.000 1.054 150 K CB 0.351 32.880 32.500 0.049 0.000 0.824 150 K HN 0.070 nan 8.250 nan 0.000 0.510 151 N N 1.459 120.145 118.700 -0.023 0.000 2.205 151 N HA 0.139 4.893 4.740 0.024 0.000 0.201 151 N C 0.411 175.921 175.510 -0.001 0.000 1.128 151 N CA -0.077 52.986 53.050 0.022 0.000 0.867 151 N CB 0.476 38.977 38.487 0.023 0.000 0.996 151 N HN 0.404 nan 8.380 nan 0.000 0.503 152 I N -1.926 118.610 120.570 -0.057 0.000 2.677 152 I HA 0.382 4.566 4.170 0.024 0.000 0.305 152 I C -1.541 174.546 176.117 -0.051 0.000 0.988 152 I CA -1.841 59.419 61.300 -0.067 0.000 1.260 152 I CB 0.714 38.642 38.000 -0.120 0.000 1.410 152 I HN -0.331 nan 8.210 nan 0.000 0.523 153 P HA -0.015 nan 4.420 nan 0.000 0.215 153 P C 0.088 177.413 177.300 0.042 0.000 1.157 153 P CA 1.427 64.541 63.100 0.024 0.000 0.868 153 P CB 0.044 31.742 31.700 -0.003 0.000 0.788 154 I N -0.855 119.675 120.570 -0.066 0.000 2.464 154 I HA 0.299 4.483 4.170 0.024 0.000 0.277 154 I C -2.554 173.420 176.117 -0.238 0.000 1.040 154 I CA -2.642 58.608 61.300 -0.084 0.000 1.153 154 I CB 1.693 39.582 38.000 -0.185 0.000 1.274 154 I HN -0.235 nan 8.210 nan 0.000 0.469 155 P HA 0.033 nan 4.420 nan 0.000 0.268 155 P C -0.798 176.358 177.300 -0.240 0.000 1.208 155 P CA 0.143 63.018 63.100 -0.375 0.000 0.777 155 P CB 0.343 31.707 31.700 -0.560 0.000 0.875 156 H N 1.781 120.846 119.070 -0.007 0.000 2.527 156 H HA 0.311 4.881 4.556 0.023 0.000 0.321 156 H C 0.498 175.853 175.328 0.045 0.000 1.087 156 H CA -0.314 55.756 56.048 0.036 0.000 1.337 156 H CB 0.399 30.174 29.762 0.021 0.000 1.440 156 H HN 0.306 nan 8.280 nan 0.000 0.490 157 I N 3.263 123.956 120.570 0.205 0.000 2.472 157 I HA 0.100 4.284 4.170 0.024 0.000 0.290 157 I C 0.449 176.637 176.117 0.119 0.000 1.016 157 I CA -0.153 61.231 61.300 0.139 0.000 1.348 157 I CB 0.543 38.636 38.000 0.154 0.000 1.417 157 I HN 0.192 nan 8.210 nan 0.000 0.521 158 K N 7.253 127.708 120.400 0.091 0.000 2.426 158 K HA 0.501 4.835 4.320 0.024 0.000 0.254 158 K C -1.049 175.604 176.600 0.088 0.000 0.936 158 K CA -0.694 55.651 56.287 0.095 0.000 0.801 158 K CB 2.205 34.762 32.500 0.094 0.000 1.139 158 K HN 0.490 nan 8.250 nan 0.000 0.424 159 L N 5.474 126.762 121.223 0.109 0.000 2.319 159 L HA 0.426 4.780 4.340 0.024 0.000 0.280 159 L C 0.732 177.725 176.870 0.204 0.000 1.099 159 L CA -0.504 54.380 54.840 0.074 0.000 0.828 159 L CB 0.023 42.102 42.059 0.033 0.000 1.150 159 L HN 0.553 nan 8.230 nan 0.000 0.442 160 I N -1.098 119.550 120.570 0.130 0.000 3.264 160 I HA 0.633 4.817 4.170 0.024 0.000 0.309 160 I C -0.526 175.695 176.117 0.173 0.000 1.099 160 I CA -0.849 60.581 61.300 0.217 0.000 0.989 160 I CB 1.711 39.798 38.000 0.144 0.000 1.250 160 I HN 0.474 nan 8.210 nan 0.000 0.478 161 D N 1.209 121.732 120.400 0.204 0.000 3.908 161 D HA -0.227 4.427 4.640 0.024 0.000 0.237 161 D C -0.895 175.360 176.300 -0.074 0.000 1.091 161 D CA 0.740 54.807 54.000 0.112 0.000 1.147 161 D CB -0.666 40.176 40.800 0.070 0.000 0.857 161 D HN 0.553 nan 8.370 nan 0.000 0.410 162 F N 0.812 120.721 119.950 -0.068 0.000 2.916 162 F HA 0.375 4.915 4.527 0.022 0.000 0.294 162 F C 2.112 177.826 175.800 -0.143 0.000 1.189 162 F CA 0.152 58.035 58.000 -0.196 0.000 1.369 162 F CB 0.607 39.543 39.000 -0.107 0.000 0.961 162 F HN 0.366 nan 8.300 nan 0.000 0.508 163 G N -0.205 108.591 108.800 -0.005 0.000 2.443 163 G HA2 -0.124 3.851 3.960 0.024 0.000 0.219 163 G HA3 -0.124 3.851 3.960 0.024 0.000 0.219 163 G C 1.364 176.234 174.900 -0.050 0.000 1.131 163 G CA 0.561 45.660 45.100 -0.001 0.000 0.775 163 G HN 0.428 nan 8.290 nan 0.000 0.547 164 L N 0.291 121.444 121.223 -0.116 0.000 2.766 164 L HA 0.412 4.766 4.340 0.024 0.000 0.242 164 L C 1.482 178.315 176.870 -0.061 0.000 1.136 164 L CA -0.492 54.230 54.840 -0.196 0.000 0.933 164 L CB 0.307 42.190 42.059 -0.293 0.000 1.241 164 L HN 0.155 nan 8.230 nan 0.000 0.522 165 A N -0.002 122.800 122.820 -0.030 0.000 2.483 165 A HA 0.186 4.521 4.320 0.024 0.000 0.238 165 A C -0.409 177.261 177.584 0.143 0.000 1.070 165 A CA 0.568 52.648 52.037 0.072 0.000 0.770 165 A CB 0.007 19.102 19.000 0.158 0.000 1.008 165 A HN 0.329 nan 8.150 nan 0.000 0.497 166 H N 0.947 120.035 119.070 0.029 0.000 3.029 166 H HA 0.228 4.798 4.556 0.022 0.000 0.358 166 H C -1.080 174.165 175.328 -0.138 0.000 1.129 166 H CA -0.479 55.512 56.048 -0.095 0.000 1.230 166 H CB 1.314 30.924 29.762 -0.255 0.000 1.827 166 H HN 0.824 nan 8.280 nan 0.000 0.530 167 E N 4.863 124.869 120.200 -0.323 0.000 2.217 167 E HA 0.127 4.491 4.350 0.024 0.000 0.279 167 E C 0.258 176.831 176.600 -0.045 0.000 1.068 167 E CA -0.572 55.725 56.400 -0.171 0.000 0.882 167 E CB 1.134 30.712 29.700 -0.203 0.000 1.039 167 E HN 0.265 nan 8.360 nan 0.000 0.418 168 I N 3.680 124.239 120.570 -0.018 0.000 2.452 168 I HA 0.033 4.217 4.170 0.024 0.000 0.287 168 I C 0.668 176.787 176.117 0.004 0.000 1.079 168 I CA 0.308 61.618 61.300 0.017 0.000 1.387 168 I CB -0.024 37.968 38.000 -0.014 0.000 1.404 168 I HN 0.453 nan 8.210 nan 0.000 0.522 169 E N 4.519 124.738 120.200 0.032 0.000 2.214 169 E HA 0.219 4.583 4.350 0.024 0.000 0.274 169 E C -0.828 175.786 176.600 0.023 0.000 0.977 169 E CA -0.881 55.531 56.400 0.020 0.000 0.827 169 E CB 1.230 30.950 29.700 0.033 0.000 1.130 169 E HN 0.375 nan 8.360 nan 0.000 0.394 170 D N 1.228 121.634 120.400 0.011 0.000 2.487 170 D HA 0.089 4.743 4.640 0.024 0.000 0.243 170 D C 1.155 177.466 176.300 0.018 0.000 1.154 170 D CA 1.059 55.066 54.000 0.011 0.000 0.876 170 D CB 0.753 41.556 40.800 0.004 0.000 1.161 170 D HN 0.773 nan 8.370 nan 0.000 0.478 171 G N 1.603 110.415 108.800 0.020 0.000 2.175 171 G HA2 -0.268 3.706 3.960 0.024 0.000 0.265 171 G HA3 -0.268 3.706 3.960 0.024 0.000 0.265 171 G C 0.304 175.220 174.900 0.027 0.000 0.979 171 G CA 0.367 45.478 45.100 0.019 0.000 0.663 171 G HN 0.493 nan 8.290 nan 0.000 0.533 172 V N 0.646 120.584 119.914 0.041 0.000 2.370 172 V HA 0.414 4.548 4.120 0.024 0.000 0.279 172 V C 0.592 176.730 176.094 0.075 0.000 1.029 172 V CA -0.747 61.588 62.300 0.057 0.000 0.870 172 V CB 1.796 33.663 31.823 0.072 0.000 0.984 172 V HN 0.394 nan 8.190 nan 0.000 0.451 173 E N 3.781 124.013 120.200 0.054 0.000 2.257 173 E HA 0.222 4.586 4.350 0.024 0.000 0.278 173 E C -1.427 175.223 176.600 0.083 0.000 1.049 173 E CA -0.385 56.037 56.400 0.037 0.000 0.876 173 E CB 0.626 30.311 29.700 -0.025 0.000 1.035 173 E HN 0.524 nan 8.360 nan 0.000 0.419 174 F N 5.533 125.432 119.950 -0.086 0.000 2.375 174 F HA 0.376 4.912 4.527 0.016 0.000 0.361 174 F C -0.960 174.729 175.800 -0.185 0.000 1.117 174 F CA -0.739 57.180 58.000 -0.134 0.000 1.037 174 F CB 0.619 39.526 39.000 -0.155 0.000 1.192 174 F HN 0.193 nan 8.300 nan 0.000 0.452 175 K N 5.120 125.081 120.400 -0.732 0.000 2.426 175 K HA 0.425 4.760 4.320 0.024 0.000 0.254 175 K C -1.388 174.787 176.600 -0.708 0.000 0.936 175 K CA -1.063 54.751 56.287 -0.788 0.000 0.801 175 K CB 2.044 33.993 32.500 -0.918 0.000 1.139 175 K HN 0.560 nan 8.250 nan 0.000 0.424 176 N N 2.284 120.630 118.700 -0.589 0.000 2.598 176 N HA 0.431 5.185 4.740 0.024 0.000 0.263 176 N C -1.744 173.587 175.510 -0.298 0.000 1.254 176 N CA -0.603 52.291 53.050 -0.260 0.000 0.863 176 N CB 1.430 39.781 38.487 -0.226 0.000 1.586 176 N HN 0.477 nan 8.380 nan 0.000 0.491 177 I N 3.178 123.661 120.570 -0.145 0.000 2.354 177 I HA 0.482 4.666 4.170 0.024 0.000 0.286 177 I C -0.757 175.290 176.117 -0.118 0.000 1.007 177 I CA -0.636 60.510 61.300 -0.256 0.000 1.167 177 I CB 0.199 38.107 38.000 -0.153 0.000 1.320 177 I HN 0.436 nan 8.210 nan 0.000 0.458 178 F N 3.492 123.399 119.950 -0.073 0.000 2.923 178 F HA 0.957 5.496 4.527 0.020 0.000 0.323 178 F C 0.220 176.027 175.800 0.013 0.000 1.189 178 F CA -0.947 57.038 58.000 -0.026 0.000 0.930 178 F CB 0.486 39.468 39.000 -0.030 0.000 1.414 178 F HN 0.665 nan 8.300 nan 0.000 0.496 179 G N 0.063 109.116 108.800 0.422 0.000 2.796 179 G HA2 0.126 4.100 3.960 0.024 0.000 0.571 179 G HA3 0.126 4.100 3.960 0.024 0.000 0.571 179 G C -0.919 174.111 174.900 0.216 0.000 1.370 179 G CA -0.550 44.752 45.100 0.338 0.000 0.856 179 G HN 1.035 nan 8.290 nan 0.000 0.538 180 T N 2.966 117.669 114.554 0.248 0.000 2.749 180 T HA 0.482 4.847 4.350 0.024 0.000 0.295 180 T C -0.918 173.913 174.700 0.218 0.000 0.936 180 T CA -0.279 61.971 62.100 0.250 0.000 1.060 180 T CB 1.602 70.693 68.868 0.371 0.000 0.904 180 T HN 0.383 nan 8.240 nan 0.000 0.500 181 P HA -0.205 nan 4.420 nan 0.000 0.217 181 P C 1.478 178.779 177.300 0.002 0.000 1.158 181 P CA 0.997 64.116 63.100 0.032 0.000 0.887 181 P CB 0.220 31.923 31.700 0.005 0.000 0.792 182 E N -1.598 118.553 120.200 -0.080 0.000 2.187 182 E HA -0.206 4.158 4.350 0.024 0.000 0.199 182 E C 0.907 177.273 176.600 -0.391 0.000 1.004 182 E CA 1.123 57.317 56.400 -0.343 0.000 0.813 182 E CB -0.322 28.958 29.700 -0.700 0.000 0.736 182 E HN 0.286 nan 8.360 nan 0.000 0.468 183 F N -0.353 119.692 119.950 0.159 0.000 2.682 183 F HA 0.141 4.681 4.527 0.021 0.000 0.308 183 F C 0.383 176.343 175.800 0.265 0.000 1.093 183 F CA -0.634 57.495 58.000 0.215 0.000 1.244 183 F CB 0.838 39.937 39.000 0.165 0.000 1.052 183 F HN -0.157 nan 8.300 nan 0.000 0.573 184 V N -0.343 119.731 119.914 0.267 0.000 2.732 184 V HA 0.780 4.914 4.120 0.024 0.000 0.297 184 V C 0.413 176.381 176.094 -0.210 0.000 1.060 184 V CA -1.448 60.901 62.300 0.083 0.000 1.038 184 V CB 0.677 32.473 31.823 -0.044 0.000 1.003 184 V HN 0.093 nan 8.190 nan 0.000 0.481 185 A N 4.478 127.003 122.820 -0.491 0.000 2.366 185 A HA 0.596 4.930 4.320 0.024 0.000 0.249 185 A C -1.125 175.913 177.584 -0.910 0.000 1.084 185 A CA -1.204 50.068 52.037 -1.276 0.000 0.794 185 A CB -0.045 18.495 19.000 -0.766 0.000 1.034 185 A HN 0.791 nan 8.150 nan 0.000 0.491 186 P HA -0.209 nan 4.420 nan 0.000 0.216 186 P C 1.239 178.291 177.300 -0.412 0.000 1.150 186 P CA 1.677 64.398 63.100 -0.631 0.000 0.843 186 P CB 0.079 31.426 31.700 -0.588 0.000 0.787 187 E N -0.051 119.918 120.200 -0.384 0.000 2.204 187 E HA -0.146 4.219 4.350 0.024 0.000 0.195 187 E C 1.934 178.362 176.600 -0.287 0.000 0.990 187 E CA 1.099 57.336 56.400 -0.271 0.000 0.821 187 E CB -1.144 28.434 29.700 -0.204 0.000 0.750 187 E HN 0.300 nan 8.360 nan 0.000 0.477 188 I N 1.266 121.628 120.570 -0.347 0.000 2.233 188 I HA -0.214 3.970 4.170 0.024 0.000 0.243 188 I C 2.561 178.494 176.117 -0.306 0.000 1.093 188 I CA 0.805 61.857 61.300 -0.413 0.000 1.380 188 I CB -0.195 37.498 38.000 -0.512 0.000 1.067 188 I HN -0.061 nan 8.210 nan 0.000 0.413 189 V N 0.979 120.727 119.914 -0.277 0.000 2.343 189 V HA -0.274 3.860 4.120 0.024 0.000 0.247 189 V C 1.628 177.633 176.094 -0.147 0.000 1.051 189 V CA 2.202 64.379 62.300 -0.205 0.000 1.036 189 V CB -1.019 30.676 31.823 -0.213 0.000 0.654 189 V HN 0.468 nan 8.190 nan 0.000 0.451 190 N N -1.016 117.592 118.700 -0.154 0.000 2.521 190 N HA -0.041 4.713 4.740 0.024 0.000 0.188 190 N C 0.239 175.740 175.510 -0.015 0.000 1.146 190 N CA 0.155 53.148 53.050 -0.096 0.000 0.893 190 N CB -0.043 38.371 38.487 -0.122 0.000 0.975 190 N HN 0.493 nan 8.380 nan 0.000 0.451 191 Y N 1.006 121.180 120.300 -0.210 0.000 3.125 191 Y HA -0.314 4.255 4.550 0.031 0.000 0.200 191 Y C -0.829 174.960 175.900 -0.185 0.000 1.373 191 Y CA 0.136 58.109 58.100 -0.212 0.000 1.180 191 Y CB -1.793 36.563 38.460 -0.174 0.000 1.381 191 Y HN 0.187 nan 8.280 nan 0.000 0.501 192 E N 1.278 121.300 120.200 -0.296 0.000 2.281 192 E HA 0.462 4.827 4.350 0.024 0.000 0.262 192 E C -2.450 173.976 176.600 -0.289 0.000 0.933 192 E CA -2.411 53.822 56.400 -0.278 0.000 0.809 192 E CB 1.154 30.747 29.700 -0.178 0.000 1.242 192 E HN 0.010 nan 8.360 nan 0.000 0.418 193 P HA -0.077 nan 4.420 nan 0.000 0.261 193 P C -0.971 176.285 177.300 -0.073 0.000 1.173 193 P CA 0.848 63.860 63.100 -0.146 0.000 0.760 193 P CB 0.273 31.923 31.700 -0.083 0.000 0.783 194 L N 2.490 123.716 121.223 0.006 0.000 2.334 194 L HA 0.877 5.231 4.340 0.024 0.000 0.270 194 L C 1.124 178.185 176.870 0.318 0.000 1.018 194 L CA -0.270 54.672 54.840 0.170 0.000 0.811 194 L CB 1.892 44.061 42.059 0.184 0.000 1.271 194 L HN 0.500 nan 8.230 nan 0.000 0.443 195 G N 0.081 109.090 108.800 0.350 0.000 2.677 195 G HA2 0.329 4.303 3.960 0.024 0.000 0.283 195 G HA3 0.329 4.303 3.960 0.024 0.000 0.283 195 G C 0.077 175.010 174.900 0.055 0.000 1.221 195 G CA -0.753 44.470 45.100 0.205 0.000 0.851 195 G HN 0.437 nan 8.290 nan 0.000 0.504 196 L N 0.305 121.453 121.223 -0.126 0.000 2.362 196 L HA 0.050 4.405 4.340 0.024 0.000 0.219 196 L C 2.540 179.371 176.870 -0.065 0.000 1.134 196 L CA 1.054 55.681 54.840 -0.355 0.000 0.807 196 L CB -0.291 41.396 42.059 -0.621 0.000 0.927 196 L HN 0.517 nan 8.230 nan 0.000 0.447 197 E N 0.847 121.074 120.200 0.046 0.000 2.153 197 E HA -0.184 4.181 4.350 0.024 0.000 0.194 197 E C 2.356 179.068 176.600 0.186 0.000 0.988 197 E CA 1.217 57.692 56.400 0.124 0.000 0.811 197 E CB -0.318 29.443 29.700 0.100 0.000 0.746 197 E HN 0.455 nan 8.360 nan 0.000 0.466 198 A N 1.415 124.357 122.820 0.203 0.000 1.940 198 A HA -0.250 4.084 4.320 0.024 0.000 0.219 198 A C 1.594 179.365 177.584 0.312 0.000 1.176 198 A CA 1.877 54.074 52.037 0.267 0.000 0.631 198 A CB -0.487 18.778 19.000 0.441 0.000 0.814 198 A HN 0.104 nan 8.150 nan 0.000 0.446 199 D N -0.520 120.033 120.400 0.256 0.000 2.144 199 D HA -0.129 4.525 4.640 0.024 0.000 0.199 199 D C 1.952 178.398 176.300 0.243 0.000 0.984 199 D CA 1.168 55.320 54.000 0.253 0.000 0.834 199 D CB -0.278 40.696 40.800 0.290 0.000 0.955 199 D HN 0.285 nan 8.370 nan 0.000 0.465 200 M N -0.580 119.172 119.600 0.252 0.000 2.175 200 M HA -0.119 4.376 4.480 0.024 0.000 0.264 200 M C 2.118 178.534 176.300 0.193 0.000 1.063 200 M CA 0.723 56.136 55.300 0.188 0.000 1.119 200 M CB -1.186 31.515 32.600 0.170 0.000 1.377 200 M HN 0.323 nan 8.290 nan 0.000 0.415 201 W N 1.380 122.723 121.300 0.072 0.000 2.355 201 W HA -0.153 4.517 4.660 0.017 0.000 0.309 201 W C 1.974 178.554 176.519 0.101 0.000 1.206 201 W CA 1.783 59.164 57.345 0.060 0.000 1.284 201 W CB -0.538 28.948 29.460 0.044 0.000 1.145 201 W HN 0.209 nan 8.180 nan 0.000 0.502 202 S N 1.356 117.312 115.700 0.427 0.000 2.382 202 S HA -0.204 4.280 4.470 0.024 0.000 0.228 202 S C 1.837 176.562 174.600 0.209 0.000 1.027 202 S CA 1.768 60.179 58.200 0.352 0.000 0.991 202 S CB -0.535 62.861 63.200 0.327 0.000 0.823 202 S HN 0.270 nan 8.310 nan 0.000 0.469 203 I N 1.532 122.197 120.570 0.157 0.000 2.226 203 I HA -0.156 4.028 4.170 0.024 0.000 0.245 203 I C 2.690 178.894 176.117 0.146 0.000 1.100 203 I CA 1.170 62.559 61.300 0.149 0.000 1.374 203 I CB -0.834 37.247 38.000 0.136 0.000 1.057 203 I HN 0.369 nan 8.210 nan 0.000 0.413 204 G N 0.450 109.257 108.800 0.012 0.000 2.442 204 G HA2 -0.183 3.791 3.960 0.024 0.000 0.219 204 G HA3 -0.183 3.791 3.960 0.024 0.000 0.219 204 G C 1.687 176.581 174.900 -0.010 0.000 1.141 204 G CA 0.996 46.046 45.100 -0.083 0.000 0.763 204 G HN 0.267 nan 8.290 nan 0.000 0.554 205 V N 1.054 120.956 119.914 -0.020 0.000 2.358 205 V HA -0.103 4.031 4.120 0.024 0.000 0.246 205 V C 2.764 179.043 176.094 0.309 0.000 1.047 205 V CA 1.417 63.765 62.300 0.081 0.000 1.035 205 V CB -0.379 31.549 31.823 0.175 0.000 0.658 205 V HN 0.383 nan 8.190 nan 0.000 0.452 206 I N 0.259 121.036 120.570 0.345 0.000 2.226 206 I HA -0.225 3.959 4.170 0.024 0.000 0.245 206 I C 2.559 178.967 176.117 0.486 0.000 1.100 206 I CA 1.829 63.379 61.300 0.417 0.000 1.374 206 I CB -0.743 37.418 38.000 0.269 0.000 1.057 206 I HN 0.309 nan 8.210 nan 0.000 0.413 207 T N -0.017 114.788 114.554 0.417 0.000 2.684 207 T HA -0.266 4.098 4.350 0.024 0.000 0.267 207 T C 1.795 176.748 174.700 0.421 0.000 1.036 207 T CA 1.613 63.979 62.100 0.444 0.000 1.148 207 T CB -0.566 68.609 68.868 0.511 0.000 0.863 207 T HN 0.307 nan 8.240 nan 0.000 0.436 208 Y N 1.796 122.260 120.300 0.273 0.000 2.081 208 Y HA -0.204 4.359 4.550 0.023 0.000 0.280 208 Y C 2.065 178.133 175.900 0.281 0.000 1.163 208 Y CA 1.180 59.464 58.100 0.306 0.000 1.135 208 Y CB -0.555 37.992 38.460 0.145 0.000 0.970 208 Y HN 0.195 nan 8.280 nan 0.000 0.498 209 I N -0.592 120.316 120.570 0.564 0.000 2.252 209 I HA -0.283 3.901 4.170 0.024 0.000 0.245 209 I C 2.494 178.832 176.117 0.369 0.000 1.102 209 I CA 1.247 62.826 61.300 0.465 0.000 1.385 209 I CB -0.489 37.858 38.000 0.578 0.000 1.064 209 I HN 0.279 nan 8.210 nan 0.000 0.414 210 L N 0.530 121.969 121.223 0.361 0.000 2.079 210 L HA -0.216 4.139 4.340 0.024 0.000 0.210 210 L C 2.308 179.167 176.870 -0.017 0.000 1.081 210 L CA 1.652 56.543 54.840 0.085 0.000 0.752 210 L CB -0.035 42.120 42.059 0.160 0.000 0.896 210 L HN 0.227 nan 8.230 nan 0.000 0.433 211 L N -1.656 119.606 121.223 0.066 0.000 2.375 211 L HA -0.005 4.349 4.340 0.024 0.000 0.215 211 L C 2.302 179.073 176.870 -0.165 0.000 1.108 211 L CA 0.866 55.692 54.840 -0.023 0.000 0.830 211 L CB -0.136 41.955 42.059 0.054 0.000 0.959 211 L HN 0.384 nan 8.230 nan 0.000 0.457 212 S N -2.125 113.448 115.700 -0.213 0.000 2.731 212 S HA 0.319 4.804 4.470 0.024 0.000 0.244 212 S C 1.548 176.110 174.600 -0.063 0.000 1.084 212 S CA 0.545 58.524 58.200 -0.368 0.000 0.877 212 S CB 1.138 63.755 63.200 -0.971 0.000 0.798 212 S HN 0.337 nan 8.310 nan 0.000 0.496 213 G N 1.570 110.397 108.800 0.045 0.000 2.258 213 G HA2 -0.052 3.922 3.960 0.024 0.000 0.233 213 G HA3 -0.052 3.922 3.960 0.024 0.000 0.233 213 G C 0.322 175.172 174.900 -0.083 0.000 1.006 213 G CA 0.014 45.123 45.100 0.014 0.000 0.620 213 G HN 1.355 nan 8.290 nan 0.000 0.511 214 A N 0.030 122.728 122.820 -0.204 0.000 2.302 214 A HA 0.807 5.142 4.320 0.024 0.000 0.285 214 A C 0.538 178.193 177.584 0.119 0.000 1.105 214 A CA 0.944 52.820 52.037 -0.268 0.000 0.816 214 A CB 1.183 19.734 19.000 -0.748 0.000 1.067 214 A HN 1.452 nan 8.150 nan 0.000 0.489 215 S N 1.033 116.724 115.700 -0.015 0.000 2.475 215 S HA 0.556 5.041 4.470 0.024 0.000 0.298 215 S C -1.447 172.903 174.600 -0.418 0.000 1.119 215 S CA -1.629 56.497 58.200 -0.124 0.000 1.085 215 S CB 1.056 64.168 63.200 -0.146 0.000 1.028 215 S HN 0.536 nan 8.310 nan 0.000 0.489 216 P HA 0.021 nan 4.420 nan 0.000 0.217 216 P C 0.394 177.064 177.300 -1.049 0.000 1.151 216 P CA 1.272 63.452 63.100 -1.534 0.000 0.828 216 P CB 0.010 30.348 31.700 -2.270 0.000 0.788 217 F N -2.149 117.628 119.950 -0.289 0.000 2.767 217 F HA 0.271 4.813 4.527 0.025 0.000 0.323 217 F C 0.961 176.692 175.800 -0.114 0.000 1.091 217 F CA -0.741 57.176 58.000 -0.138 0.000 1.192 217 F CB -0.475 38.482 39.000 -0.071 0.000 1.056 217 F HN -0.237 nan 8.300 nan 0.000 0.571 218 L N 1.788 122.993 121.223 -0.031 0.000 2.534 218 L HA 0.463 4.818 4.340 0.024 0.000 0.271 218 L C 0.608 177.466 176.870 -0.020 0.000 1.178 218 L CA 0.106 54.919 54.840 -0.046 0.000 0.907 218 L CB -0.223 41.774 42.059 -0.103 0.000 1.164 218 L HN 0.174 nan 8.230 nan 0.000 0.482 219 G N 3.036 111.835 108.800 -0.002 0.000 2.642 219 G HA2 0.125 4.099 3.960 0.024 0.000 0.291 219 G HA3 0.125 4.099 3.960 0.024 0.000 0.291 219 G C 0.360 175.260 174.900 0.000 0.000 1.345 219 G CA 0.001 45.105 45.100 0.006 0.000 1.043 219 G HN 0.676 nan 8.290 nan 0.000 0.528 220 D N -1.229 119.174 120.400 0.006 0.000 2.144 220 D HA -0.070 4.585 4.640 0.024 0.000 0.200 220 D C 1.136 177.437 176.300 0.001 0.000 0.978 220 D CA 1.677 55.680 54.000 0.004 0.000 0.833 220 D CB 0.216 41.021 40.800 0.008 0.000 0.961 220 D HN 0.437 nan 8.370 nan 0.000 0.470 221 T N -3.164 111.390 114.554 0.000 0.000 2.888 221 T HA 0.273 4.637 4.350 0.024 0.000 0.288 221 T C 0.766 175.463 174.700 -0.005 0.000 1.063 221 T CA -0.796 61.303 62.100 -0.002 0.000 1.010 221 T CB 2.272 71.138 68.868 -0.003 0.000 1.214 221 T HN -0.173 nan 8.240 nan 0.000 0.533 222 K N -0.088 120.308 120.400 -0.007 0.000 2.097 222 K HA -0.158 4.176 4.320 0.024 0.000 0.206 222 K C 2.278 178.869 176.600 -0.014 0.000 1.049 222 K CA 1.430 57.711 56.287 -0.010 0.000 0.933 222 K CB -0.196 32.298 32.500 -0.010 0.000 0.717 222 K HN 0.699 nan 8.250 nan 0.000 0.442 223 Q N 0.680 120.472 119.800 -0.012 0.000 2.061 223 Q HA -0.235 4.120 4.340 0.024 0.000 0.204 223 Q C 1.629 177.623 176.000 -0.009 0.000 0.984 223 Q CA 1.942 57.736 55.803 -0.014 0.000 0.846 223 Q CB 0.030 28.761 28.738 -0.011 0.000 0.902 223 Q HN 0.454 nan 8.270 nan 0.000 0.421 224 E N -0.673 119.527 120.200 -0.001 0.000 2.072 224 E HA -0.132 4.232 4.350 0.024 0.000 0.191 224 E C 2.051 178.661 176.600 0.017 0.000 0.985 224 E CA 1.593 57.998 56.400 0.009 0.000 0.801 224 E CB -0.000 29.707 29.700 0.012 0.000 0.750 224 E HN 0.405 nan 8.360 nan 0.000 0.452 225 T N 1.975 116.535 114.554 0.011 0.000 2.684 225 T HA -0.160 4.205 4.350 0.024 0.000 0.267 225 T C 2.011 176.713 174.700 0.004 0.000 1.036 225 T CA 0.999 63.111 62.100 0.020 0.000 1.148 225 T CB -0.277 68.590 68.868 -0.002 0.000 0.863 225 T HN 0.092 nan 8.240 nan 0.000 0.436 226 L N 0.713 121.921 121.223 -0.025 0.000 2.083 226 L HA -0.056 4.298 4.340 0.024 0.000 0.209 226 L C 3.063 179.901 176.870 -0.054 0.000 1.083 226 L CA 1.085 55.890 54.840 -0.058 0.000 0.752 226 L CB -0.722 41.300 42.059 -0.062 0.000 0.899 226 L HN 0.255 nan 8.230 nan 0.000 0.433 227 A N 0.341 123.147 122.820 -0.023 0.000 1.930 227 A HA -0.186 4.148 4.320 0.024 0.000 0.217 227 A C 2.055 179.648 177.584 0.015 0.000 1.175 227 A CA 1.721 53.752 52.037 -0.010 0.000 0.627 227 A CB -0.466 18.535 19.000 0.002 0.000 0.815 227 A HN 0.423 nan 8.150 nan 0.000 0.443 228 N N 0.196 118.929 118.700 0.054 0.000 2.142 228 N HA -0.069 4.685 4.740 0.024 0.000 0.186 228 N C 1.626 177.202 175.510 0.110 0.000 1.023 228 N CA 1.479 54.620 53.050 0.152 0.000 0.852 228 N CB -0.448 38.187 38.487 0.247 0.000 0.998 228 N HN 0.571 nan 8.380 nan 0.000 0.424 229 I N 0.956 121.468 120.570 -0.098 0.000 2.202 229 I HA -0.231 3.953 4.170 0.024 0.000 0.242 229 I C 2.273 178.225 176.117 -0.276 0.000 1.091 229 I CA 1.457 62.513 61.300 -0.406 0.000 1.368 229 I CB -0.689 37.084 38.000 -0.378 0.000 1.058 229 I HN 0.224 nan 8.210 nan 0.000 0.410 230 T N -1.841 112.607 114.554 -0.176 0.000 2.867 230 T HA -0.113 4.251 4.350 0.024 0.000 0.268 230 T C 1.737 176.398 174.700 -0.064 0.000 1.057 230 T CA 1.270 63.285 62.100 -0.142 0.000 1.136 230 T CB -0.553 68.249 68.868 -0.111 0.000 0.874 230 T HN 0.438 nan 8.240 nan 0.000 0.466 231 S N 0.700 116.394 115.700 -0.010 0.000 2.575 231 S HA 0.279 4.763 4.470 0.024 0.000 0.215 231 S C 0.793 175.459 174.600 0.111 0.000 0.966 231 S CA -0.014 58.210 58.200 0.040 0.000 0.911 231 S CB -0.535 62.692 63.200 0.044 0.000 0.780 231 S HN 0.557 nan 8.310 nan 0.000 0.514 232 V N 1.072 121.077 119.914 0.152 0.000 5.830 232 V HA -0.194 3.940 4.120 0.024 0.000 0.274 232 V C 0.119 176.495 176.094 0.469 0.000 0.632 232 V CA 0.931 63.453 62.300 0.370 0.000 0.594 232 V CB -3.057 28.984 31.823 0.364 0.000 0.249 232 V HN 0.608 nan 8.190 nan 0.000 0.697 233 S N 2.200 118.175 115.700 0.458 0.000 2.466 233 S HA 0.704 5.188 4.470 0.024 0.000 0.313 233 S C -0.436 174.317 174.600 0.255 0.000 1.078 233 S CA -0.411 57.951 58.200 0.270 0.000 1.115 233 S CB 0.564 63.859 63.200 0.158 0.000 1.006 233 S HN 0.932 nan 8.310 nan 0.000 0.487 234 Y N 0.348 120.589 120.300 -0.099 0.000 2.615 234 Y HA 0.823 5.387 4.550 0.023 0.000 0.341 234 Y C -1.187 174.518 175.900 -0.325 0.000 1.089 234 Y CA -1.594 56.277 58.100 -0.381 0.000 1.049 234 Y CB 0.880 38.811 38.460 -0.880 0.000 1.296 234 Y HN 0.469 nan 8.280 nan 0.000 0.470 235 D N -0.059 120.123 120.400 -0.363 0.000 2.552 235 D HA 0.408 5.062 4.640 0.024 0.000 0.239 235 D C -1.617 174.414 176.300 -0.448 0.000 1.139 235 D CA -0.683 53.064 54.000 -0.421 0.000 0.914 235 D CB 1.345 42.062 40.800 -0.138 0.000 1.461 235 D HN 0.361 nan 8.370 nan 0.000 0.462 236 F N 0.290 120.109 119.950 -0.218 0.000 2.578 236 F HA 0.241 4.781 4.527 0.021 0.000 0.314 236 F C 0.338 176.125 175.800 -0.023 0.000 1.225 236 F CA -0.947 56.776 58.000 -0.462 0.000 1.215 236 F CB -0.156 38.488 39.000 -0.593 0.000 1.448 236 F HN 0.260 nan 8.300 nan 0.000 0.548 237 D N 1.291 121.891 120.400 0.333 0.000 2.525 237 D HA -0.086 4.568 4.640 0.024 0.000 0.235 237 D C 1.363 177.857 176.300 0.324 0.000 1.137 237 D CA 0.586 54.773 54.000 0.312 0.000 0.868 237 D CB 0.980 42.000 40.800 0.366 0.000 1.180 237 D HN 0.274 nan 8.370 nan 0.000 0.465 238 E N 2.749 123.036 120.200 0.144 0.000 2.338 238 E HA -0.179 4.186 4.350 0.024 0.000 0.197 238 E C 1.388 177.969 176.600 -0.031 0.000 1.007 238 E CA 0.375 56.817 56.400 0.071 0.000 0.849 238 E CB 0.049 29.756 29.700 0.011 0.000 0.774 238 E HN 0.736 nan 8.360 nan 0.000 0.506 239 E N -0.405 119.711 120.200 -0.141 0.000 2.110 239 E HA -0.158 4.206 4.350 0.024 0.000 0.193 239 E C 1.038 177.329 176.600 -0.515 0.000 0.988 239 E CA 0.964 57.107 56.400 -0.429 0.000 0.804 239 E CB 0.047 29.303 29.700 -0.740 0.000 0.745 239 E HN 0.247 nan 8.360 nan 0.000 0.458 240 F N -2.130 117.854 119.950 0.057 0.000 2.712 240 F HA 0.220 4.761 4.527 0.024 0.000 0.297 240 F C 0.834 176.454 175.800 -0.301 0.000 1.114 240 F CA -0.304 57.630 58.000 -0.110 0.000 1.305 240 F CB 0.604 39.510 39.000 -0.157 0.000 1.086 240 F HN -0.090 nan 8.300 nan 0.000 0.599 241 F N -0.235 119.808 119.950 0.154 0.000 2.735 241 F HA 0.144 4.686 4.527 0.024 0.000 0.304 241 F C 1.990 177.785 175.800 -0.008 0.000 1.119 241 F CA -0.295 57.752 58.000 0.079 0.000 1.280 241 F CB -0.097 38.964 39.000 0.102 0.000 0.994 241 F HN -0.116 nan 8.300 nan 0.000 0.520 242 S N -1.114 114.605 115.700 0.032 0.000 2.402 242 S HA -0.179 4.305 4.470 0.024 0.000 0.229 242 S C 1.570 176.036 174.600 -0.224 0.000 1.021 242 S CA 1.245 59.355 58.200 -0.150 0.000 0.974 242 S CB -0.500 62.510 63.200 -0.316 0.000 0.800 242 S HN 0.455 nan 8.310 nan 0.000 0.484 243 H N 1.252 120.336 119.070 0.022 0.000 2.563 243 H HA 0.208 4.778 4.556 0.023 0.000 0.264 243 H C 0.160 175.502 175.328 0.023 0.000 0.957 243 H CA 0.727 56.783 56.048 0.012 0.000 1.173 243 H CB -0.301 29.459 29.762 -0.004 0.000 1.420 243 H HN 0.378 nan 8.280 nan 0.000 0.551 244 T N 2.469 117.102 114.554 0.133 0.000 2.916 244 T HA 0.123 4.487 4.350 0.024 0.000 0.303 244 T C 0.879 175.592 174.700 0.022 0.000 1.025 244 T CA -0.314 61.843 62.100 0.094 0.000 1.142 244 T CB 1.154 70.126 68.868 0.174 0.000 0.947 244 T HN 0.300 nan 8.240 nan 0.000 0.544 245 S N 2.639 118.345 115.700 0.009 0.000 2.600 245 S HA 0.170 4.654 4.470 0.024 0.000 0.265 245 S C 1.153 175.685 174.600 -0.112 0.000 1.325 245 S CA -0.763 57.430 58.200 -0.011 0.000 1.002 245 S CB 0.828 64.070 63.200 0.071 0.000 0.921 245 S HN 0.618 nan 8.310 nan 0.000 0.554 246 E N 0.733 120.884 120.200 -0.082 0.000 2.106 246 E HA -0.031 4.333 4.350 0.024 0.000 0.192 246 E C 1.910 178.435 176.600 -0.125 0.000 0.984 246 E CA 0.908 57.238 56.400 -0.118 0.000 0.806 246 E CB -0.490 29.175 29.700 -0.059 0.000 0.750 246 E HN 0.691 nan 8.360 nan 0.000 0.458 247 L N 0.453 121.645 121.223 -0.052 0.000 2.141 247 L HA -0.132 4.222 4.340 0.024 0.000 0.209 247 L C 2.466 179.204 176.870 -0.219 0.000 1.094 247 L CA 0.931 55.796 54.840 0.041 0.000 0.763 247 L CB -0.430 41.762 42.059 0.222 0.000 0.908 247 L HN 0.058 nan 8.230 nan 0.000 0.437 248 A N 0.132 122.506 122.820 -0.743 0.000 1.902 248 A HA -0.215 4.119 4.320 0.024 0.000 0.217 248 A C 2.315 179.475 177.584 -0.707 0.000 1.181 248 A CA 1.594 52.761 52.037 -1.451 0.000 0.623 248 A CB -0.285 17.997 19.000 -1.197 0.000 0.818 248 A HN 0.306 nan 8.150 nan 0.000 0.443 249 K N -0.798 119.275 120.400 -0.545 0.000 2.097 249 K HA -0.147 4.188 4.320 0.024 0.000 0.205 249 K C 1.739 178.164 176.600 -0.292 0.000 1.050 249 K CA 1.425 57.307 56.287 -0.675 0.000 0.938 249 K CB -0.181 31.707 32.500 -1.021 0.000 0.718 249 K HN 0.574 nan 8.250 nan 0.000 0.442 250 D N 0.348 120.666 120.400 -0.137 0.000 2.144 250 D HA -0.166 4.488 4.640 0.024 0.000 0.200 250 D C 1.651 178.006 176.300 0.092 0.000 0.978 250 D CA 0.741 54.779 54.000 0.063 0.000 0.833 250 D CB -0.015 40.893 40.800 0.179 0.000 0.961 250 D HN 0.135 nan 8.370 nan 0.000 0.470 251 F N 0.592 120.394 119.950 -0.245 0.000 2.095 251 F HA -0.125 4.420 4.527 0.029 0.000 0.298 251 F C 1.931 177.602 175.800 -0.215 0.000 1.104 251 F CA 1.456 59.130 58.000 -0.544 0.000 1.232 251 F CB -0.110 38.544 39.000 -0.576 0.000 0.987 251 F HN -0.008 nan 8.300 nan 0.000 0.475 252 I N -0.025 120.478 120.570 -0.111 0.000 2.202 252 I HA -0.256 3.929 4.170 0.024 0.000 0.242 252 I C 2.612 178.717 176.117 -0.020 0.000 1.091 252 I CA 1.292 62.555 61.300 -0.061 0.000 1.368 252 I CB -0.573 37.542 38.000 0.192 0.000 1.058 252 I HN 0.048 nan 8.210 nan 0.000 0.410 253 R N 1.304 121.895 120.500 0.150 0.000 2.127 253 R HA -0.186 4.169 4.340 0.024 0.000 0.238 253 R C 2.000 178.359 176.300 0.099 0.000 1.134 253 R CA 1.505 57.743 56.100 0.232 0.000 0.975 253 R CB -0.003 30.456 30.300 0.265 0.000 0.865 253 R HN 0.285 nan 8.270 nan 0.000 0.447 254 K N -0.305 120.103 120.400 0.013 0.000 2.418 254 K HA 0.019 4.353 4.320 0.024 0.000 0.195 254 K C 1.585 178.152 176.600 -0.055 0.000 1.035 254 K CA 0.433 56.723 56.287 0.005 0.000 1.003 254 K CB 0.320 32.839 32.500 0.031 0.000 0.793 254 K HN 0.220 nan 8.250 nan 0.000 0.494 255 L N 0.066 121.196 121.223 -0.155 0.000 2.357 255 L HA 0.105 4.459 4.340 0.024 0.000 0.211 255 L C 0.690 177.474 176.870 -0.144 0.000 1.075 255 L CA 0.179 54.917 54.840 -0.169 0.000 0.830 255 L CB 0.296 42.162 42.059 -0.321 0.000 0.996 255 L HN 0.056 nan 8.230 nan 0.000 0.467 256 L N 1.742 122.811 121.223 -0.257 0.000 2.536 256 L HA 0.224 4.578 4.340 0.024 0.000 0.242 256 L C -0.881 176.021 176.870 0.053 0.000 1.280 256 L CA -0.281 54.267 54.840 -0.487 0.000 1.221 256 L CB 0.023 41.611 42.059 -0.785 0.000 1.449 256 L HN -0.083 nan 8.230 nan 0.000 0.405 257 V N 0.771 120.862 119.914 0.294 0.000 2.540 257 V HA 0.173 4.307 4.120 0.024 0.000 0.302 257 V C 1.014 177.331 176.094 0.373 0.000 1.035 257 V CA -0.781 61.705 62.300 0.310 0.000 0.873 257 V CB 2.357 34.290 31.823 0.183 0.000 0.992 257 V HN 0.454 nan 8.190 nan 0.000 0.428 258 K N 2.645 123.196 120.400 0.252 0.000 2.002 258 K HA -0.062 4.272 4.320 0.024 0.000 0.209 258 K C 0.943 177.564 176.600 0.036 0.000 1.048 258 K CA 1.100 57.435 56.287 0.080 0.000 0.930 258 K CB 0.162 32.681 32.500 0.031 0.000 0.714 258 K HN 0.787 nan 8.250 nan 0.000 0.438 259 E N 1.325 121.561 120.200 0.060 0.000 2.406 259 E HA -0.062 4.302 4.350 0.024 0.000 0.258 259 E C 0.621 177.254 176.600 0.054 0.000 1.043 259 E CA -0.008 56.416 56.400 0.041 0.000 0.929 259 E CB 0.846 30.573 29.700 0.044 0.000 0.969 259 E HN 0.389 nan 8.360 nan 0.000 0.462 260 T N 2.706 117.280 114.554 0.033 0.000 2.788 260 T HA -0.175 4.189 4.350 0.024 0.000 0.268 260 T C 1.664 176.397 174.700 0.055 0.000 1.044 260 T CA 0.744 62.871 62.100 0.046 0.000 1.139 260 T CB -0.003 68.880 68.868 0.025 0.000 0.867 260 T HN 0.323 nan 8.240 nan 0.000 0.454 261 R N 1.080 121.606 120.500 0.043 0.000 2.148 261 R HA 0.235 4.590 4.340 0.024 0.000 0.227 261 R C 2.418 178.750 176.300 0.053 0.000 1.103 261 R CA 1.044 57.170 56.100 0.044 0.000 0.983 261 R CB -0.378 29.942 30.300 0.033 0.000 0.874 261 R HN 0.519 nan 8.270 nan 0.000 0.451 262 K N -0.154 120.282 120.400 0.060 0.000 2.186 262 K HA 0.042 4.376 4.320 0.024 0.000 0.202 262 K C 0.514 177.161 176.600 0.079 0.000 1.052 262 K CA 0.163 56.490 56.287 0.067 0.000 0.965 262 K CB 0.213 32.755 32.500 0.070 0.000 0.746 262 K HN -0.058 nan 8.250 nan 0.000 0.457 263 R N 1.441 121.995 120.500 0.090 0.000 2.679 263 R HA 0.037 4.392 4.340 0.024 0.000 0.268 263 R C -0.395 175.955 176.300 0.084 0.000 1.044 263 R CA -0.175 55.985 56.100 0.099 0.000 1.105 263 R CB 0.338 30.718 30.300 0.133 0.000 0.989 263 R HN 0.129 nan 8.270 nan 0.000 0.447 264 L N 3.429 124.691 121.223 0.065 0.000 2.490 264 L HA 0.030 4.384 4.340 0.024 0.000 0.274 264 L C 0.970 177.892 176.870 0.087 0.000 1.201 264 L CA 0.118 54.998 54.840 0.066 0.000 0.869 264 L CB 0.620 42.695 42.059 0.027 0.000 1.123 264 L HN 0.806 nan 8.230 nan 0.000 0.484 265 T N -0.404 114.210 114.554 0.100 0.000 2.849 265 T HA 0.129 4.494 4.350 0.024 0.000 0.284 265 T C 1.110 175.885 174.700 0.125 0.000 1.004 265 T CA -0.745 61.428 62.100 0.121 0.000 1.021 265 T CB 1.331 70.265 68.868 0.110 0.000 1.013 265 T HN 0.474 nan 8.240 nan 0.000 0.527 266 I N 0.892 121.548 120.570 0.142 0.000 2.248 266 I HA -0.170 4.015 4.170 0.024 0.000 0.248 266 I C 2.422 178.599 176.117 0.099 0.000 1.107 266 I CA 1.630 62.983 61.300 0.087 0.000 1.373 266 I CB -0.550 37.438 38.000 -0.020 0.000 1.055 266 I HN 0.604 nan 8.210 nan 0.000 0.418 267 Q N 0.262 120.124 119.800 0.103 0.000 2.079 267 Q HA -0.198 4.156 4.340 0.024 0.000 0.200 267 Q C 2.218 178.290 176.000 0.120 0.000 0.974 267 Q CA 1.730 57.593 55.803 0.100 0.000 0.840 267 Q CB -0.291 28.499 28.738 0.086 0.000 0.898 267 Q HN 0.647 nan 8.270 nan 0.000 0.430 268 E N 0.368 120.644 120.200 0.127 0.000 2.150 268 E HA -0.100 4.264 4.350 0.024 0.000 0.193 268 E C 1.839 178.569 176.600 0.216 0.000 0.985 268 E CA 0.817 57.306 56.400 0.149 0.000 0.814 268 E CB -0.008 29.769 29.700 0.129 0.000 0.752 268 E HN 0.303 nan 8.360 nan 0.000 0.466 269 A N 0.824 123.773 122.820 0.215 0.000 1.930 269 A HA -0.107 4.227 4.320 0.024 0.000 0.217 269 A C 2.100 179.918 177.584 0.391 0.000 1.175 269 A CA 0.847 53.085 52.037 0.335 0.000 0.627 269 A CB -0.403 18.751 19.000 0.257 0.000 0.815 269 A HN 0.135 nan 8.150 nan 0.000 0.443 270 L N -1.349 120.018 121.223 0.239 0.000 2.217 270 L HA -0.044 4.311 4.340 0.024 0.000 0.211 270 L C 2.681 179.648 176.870 0.162 0.000 1.107 270 L CA 1.256 56.200 54.840 0.173 0.000 0.783 270 L CB -0.229 41.899 42.059 0.115 0.000 0.919 270 L HN 0.403 nan 8.230 nan 0.000 0.442 271 R N -1.184 119.424 120.500 0.179 0.000 2.161 271 R HA -0.071 4.283 4.340 0.024 0.000 0.213 271 R C 1.036 177.444 176.300 0.180 0.000 1.055 271 R CA -0.015 56.172 56.100 0.144 0.000 0.996 271 R CB 0.019 30.388 30.300 0.115 0.000 0.901 271 R HN 0.231 nan 8.270 nan 0.000 0.456 272 H N 1.612 120.795 119.070 0.187 0.000 3.173 272 H HA -0.042 4.527 4.556 0.021 0.000 0.311 272 H C -1.842 173.598 175.328 0.185 0.000 0.972 272 H CA -0.662 55.530 56.048 0.239 0.000 1.384 272 H CB 1.365 31.396 29.762 0.448 0.000 1.349 272 H HN 0.034 nan 8.280 nan 0.000 0.582 273 P HA -0.174 nan 4.420 nan 0.000 0.218 273 P C 1.337 178.752 177.300 0.192 0.000 1.146 273 P CA 1.284 64.391 63.100 0.011 0.000 0.813 273 P CB -0.154 31.494 31.700 -0.086 0.000 0.778 274 W N 0.126 121.567 121.300 0.235 0.000 2.381 274 W HA -0.115 4.557 4.660 0.021 0.000 0.301 274 W C 1.772 178.267 176.519 -0.040 0.000 1.205 274 W CA 1.205 58.617 57.345 0.111 0.000 1.285 274 W CB -0.575 28.947 29.460 0.102 0.000 1.133 274 W HN -0.209 nan 8.180 nan 0.000 0.521 275 I N -0.557 119.985 120.570 -0.047 0.000 2.406 275 I HA -0.046 4.139 4.170 0.024 0.000 0.249 275 I C 0.418 176.462 176.117 -0.122 0.000 1.122 275 I CA 1.234 62.395 61.300 -0.232 0.000 1.431 275 I CB -1.633 36.301 38.000 -0.110 0.000 1.087 275 I HN -0.211 nan 8.210 nan 0.000 0.424 276 T N 3.354 117.903 114.554 -0.009 0.000 3.068 276 T HA 0.336 4.700 4.350 0.024 0.000 0.364 276 T C -2.500 172.203 174.700 0.004 0.000 1.161 276 T CA -1.106 60.990 62.100 -0.007 0.000 1.155 276 T CB 1.704 70.588 68.868 0.025 0.000 1.060 276 T HN -0.131 nan 8.240 nan 0.000 0.513 277 P HA 0.075 nan 4.420 nan 0.000 0.268 277 P C 1.260 178.559 177.300 -0.002 0.000 1.204 277 P CA -0.401 62.697 63.100 -0.004 0.000 0.768 277 P CB 0.711 32.400 31.700 -0.018 0.000 0.842 278 V N -0.430 119.485 119.914 0.002 0.000 2.878 278 V HA 0.078 4.212 4.120 0.024 0.000 0.250 278 V C 0.307 176.402 176.094 0.000 0.000 1.075 278 V CA 1.217 63.517 62.300 0.002 0.000 1.096 278 V CB -1.040 30.784 31.823 0.002 0.000 0.724 278 V HN 0.555 nan 8.190 nan 0.000 0.467 279 D N -2.200 118.201 120.400 0.001 0.000 2.626 279 D HA 0.247 4.901 4.640 0.024 0.000 0.278 279 D C 0.438 176.737 176.300 -0.002 0.000 1.211 279 D CA -0.535 53.465 54.000 -0.001 0.000 0.903 279 D CB 0.700 41.502 40.800 0.002 0.000 1.408 279 D HN -0.151 nan 8.370 nan 0.000 0.454 280 N N -0.813 117.885 118.700 -0.003 0.000 2.223 280 N HA -0.179 4.575 4.740 0.024 0.000 0.185 280 N C 1.338 176.847 175.510 -0.001 0.000 1.016 280 N CA 1.551 54.597 53.050 -0.005 0.000 0.863 280 N CB 0.021 38.504 38.487 -0.006 0.000 0.983 280 N HN 0.398 nan 8.380 nan 0.000 0.429 281 Q N -0.079 119.723 119.800 0.003 0.000 2.030 281 Q HA -0.096 4.258 4.340 0.024 0.000 0.204 281 Q C 1.936 177.944 176.000 0.014 0.000 0.986 281 Q CA 1.493 57.300 55.803 0.008 0.000 0.843 281 Q CB -0.262 28.482 28.738 0.009 0.000 0.904 281 Q HN 0.393 nan 8.270 nan 0.000 0.420 282 Q N -0.564 119.246 119.800 0.017 0.000 2.224 282 Q HA 0.016 4.370 4.340 0.024 0.000 0.203 282 Q C 1.958 177.974 176.000 0.026 0.000 0.970 282 Q CA 1.300 57.122 55.803 0.031 0.000 0.865 282 Q CB -0.378 28.381 28.738 0.034 0.000 0.922 282 Q HN 0.420 nan 8.270 nan 0.000 0.445 283 A N 0.476 123.298 122.820 0.004 0.000 1.930 283 A HA -0.102 4.232 4.320 0.024 0.000 0.217 283 A C 2.141 179.719 177.584 -0.010 0.000 1.175 283 A CA 1.196 53.224 52.037 -0.014 0.000 0.627 283 A CB -0.361 18.625 19.000 -0.023 0.000 0.815 283 A HN 0.282 nan 8.150 nan 0.000 0.443 284 M N -0.852 118.748 119.600 -0.001 0.000 2.200 284 M HA -0.082 4.413 4.480 0.024 0.000 0.265 284 M C 2.060 178.368 176.300 0.014 0.000 1.066 284 M CA 0.993 56.294 55.300 0.001 0.000 1.127 284 M CB -0.289 32.312 32.600 0.002 0.000 1.379 284 M HN 0.241 nan 8.290 nan 0.000 0.420 285 V N 0.378 120.308 119.914 0.026 0.000 2.332 285 V HA -0.292 3.843 4.120 0.024 0.000 0.248 285 V C 2.375 178.506 176.094 0.062 0.000 1.055 285 V CA 1.959 64.286 62.300 0.044 0.000 1.038 285 V CB -0.825 31.030 31.823 0.053 0.000 0.651 285 V HN 0.478 nan 8.190 nan 0.000 0.450 286 R N -0.061 120.477 120.500 0.065 0.000 2.092 286 R HA -0.164 4.191 4.340 0.024 0.000 0.231 286 R C 2.522 178.837 176.300 0.025 0.000 1.119 286 R CA 1.655 57.798 56.100 0.072 0.000 0.970 286 R CB -0.232 30.074 30.300 0.011 0.000 0.864 286 R HN 0.411 nan 8.270 nan 0.000 0.440 287 R N 0.460 120.959 120.500 -0.001 0.000 2.092 287 R HA -0.126 4.228 4.340 0.024 0.000 0.231 287 R C 1.386 177.685 176.300 -0.002 0.000 1.119 287 R CA 1.917 58.008 56.100 -0.016 0.000 0.970 287 R CB 0.088 30.374 30.300 -0.022 0.000 0.864 287 R HN 0.331 nan 8.270 nan 0.000 0.440 288 E N -0.373 119.835 120.200 0.013 0.000 2.385 288 E HA 0.054 4.418 4.350 0.024 0.000 0.194 288 E C -0.206 176.412 176.600 0.031 0.000 1.013 288 E CA 0.049 56.459 56.400 0.017 0.000 0.866 288 E CB 0.545 30.257 29.700 0.019 0.000 0.832 288 E HN 0.093 nan 8.360 nan 0.000 0.500 289 S N 1.328 117.058 115.700 0.051 0.000 2.510 289 S HA 0.210 4.694 4.470 0.024 0.000 0.279 289 S C 0.038 174.670 174.600 0.053 0.000 1.284 289 S CA -0.639 57.605 58.200 0.074 0.000 1.059 289 S CB 1.044 64.313 63.200 0.116 0.000 0.901 289 S HN 0.141 nan 8.310 nan 0.000 0.491 290 V N 1.351 121.285 119.914 0.033 0.000 2.919 290 V HA 0.765 4.899 4.120 0.024 0.000 0.316 290 V C -0.305 175.755 176.094 -0.056 0.000 1.077 290 V CA -0.934 61.345 62.300 -0.034 0.000 0.977 290 V CB 1.581 33.346 31.823 -0.096 0.000 1.039 290 V HN 0.474 nan 8.190 nan 0.000 0.441 291 V N 2.341 122.197 119.914 -0.098 0.000 2.394 291 V HA 0.330 4.464 4.120 0.024 0.000 0.282 291 V C 0.533 176.519 176.094 -0.180 0.000 1.031 291 V CA -0.358 61.871 62.300 -0.119 0.000 0.881 291 V CB 1.001 32.738 31.823 -0.143 0.000 0.982 291 V HN 1.025 nan 8.190 nan 0.000 0.451 292 N N 4.469 123.067 118.700 -0.170 0.000 2.434 292 N HA 0.068 4.822 4.740 0.024 0.000 0.273 292 N C 0.928 176.408 175.510 -0.050 0.000 1.210 292 N CA -0.487 52.473 53.050 -0.151 0.000 0.992 292 N CB 0.320 38.772 38.487 -0.059 0.000 1.355 292 N HN 0.601 nan 8.380 nan 0.000 0.495 293 L N 2.494 123.672 121.223 -0.074 0.000 2.376 293 L HA -0.105 4.249 4.340 0.024 0.000 0.219 293 L C 2.194 179.100 176.870 0.061 0.000 1.133 293 L CA 1.250 56.081 54.840 -0.016 0.000 0.816 293 L CB -0.938 41.066 42.059 -0.092 0.000 0.933 293 L HN 0.726 nan 8.230 nan 0.000 0.449 294 E N 0.622 120.838 120.200 0.027 0.000 2.058 294 E HA -0.263 4.101 4.350 0.024 0.000 0.194 294 E C 1.660 178.310 176.600 0.082 0.000 0.997 294 E CA 1.966 58.393 56.400 0.044 0.000 0.801 294 E CB 0.027 29.742 29.700 0.024 0.000 0.746 294 E HN 0.591 nan 8.360 nan 0.000 0.450 295 N N -0.727 118.036 118.700 0.105 0.000 2.216 295 N HA -0.107 4.647 4.740 0.024 0.000 0.183 295 N C 1.725 177.320 175.510 0.141 0.000 1.017 295 N CA 0.923 54.063 53.050 0.150 0.000 0.861 295 N CB -0.222 38.393 38.487 0.214 0.000 0.986 295 N HN 0.142 nan 8.380 nan 0.000 0.428 296 F N 2.170 122.112 119.950 -0.013 0.000 2.102 296 F HA -0.048 4.492 4.527 0.023 0.000 0.298 296 F C 2.499 178.304 175.800 0.008 0.000 1.105 296 F CA 1.269 59.241 58.000 -0.047 0.000 1.239 296 F CB 0.011 38.925 39.000 -0.142 0.000 0.991 296 F HN -0.154 nan 8.300 nan 0.000 0.474 297 R N 0.444 121.043 120.500 0.165 0.000 2.066 297 R HA -0.188 4.167 4.340 0.024 0.000 0.232 297 R C 2.441 178.782 176.300 0.068 0.000 1.131 297 R CA 1.778 57.947 56.100 0.114 0.000 0.955 297 R CB -0.378 29.990 30.300 0.113 0.000 0.851 297 R HN 0.246 nan 8.270 nan 0.000 0.432 298 K N 0.271 120.706 120.400 0.058 0.000 2.015 298 K HA -0.232 4.102 4.320 0.024 0.000 0.216 298 K C 2.079 178.691 176.600 0.021 0.000 1.052 298 K CA 1.905 58.219 56.287 0.046 0.000 0.937 298 K CB 0.034 32.571 32.500 0.062 0.000 0.719 298 K HN 0.153 nan 8.250 nan 0.000 0.446 299 Q N -0.779 119.018 119.800 -0.005 0.000 2.167 299 Q HA -0.191 4.164 4.340 0.024 0.000 0.202 299 Q C 1.966 177.935 176.000 -0.051 0.000 0.970 299 Q CA 1.303 57.085 55.803 -0.035 0.000 0.855 299 Q CB -0.275 28.426 28.738 -0.061 0.000 0.911 299 Q HN 0.511 nan 8.270 nan 0.000 0.438 300 Y N 1.067 121.234 120.300 -0.221 0.000 2.220 300 Y HA -0.154 4.410 4.550 0.023 0.000 0.291 300 Y C 2.156 178.014 175.900 -0.070 0.000 1.129 300 Y CA 0.849 58.836 58.100 -0.190 0.000 1.161 300 Y CB -0.015 38.252 38.460 -0.322 0.000 0.997 300 Y HN -0.180 nan 8.280 nan 0.000 0.522 301 V N 0.977 120.872 119.914 -0.031 0.000 2.515 301 V HA -0.280 3.854 4.120 0.024 0.000 0.250 301 V C 2.206 178.235 176.094 -0.108 0.000 1.058 301 V CA 2.101 64.359 62.300 -0.070 0.000 1.064 301 V CB -0.560 31.275 31.823 0.021 0.000 0.675 301 V HN 0.357 nan 8.190 nan 0.000 0.461 302 R N 0.076 120.528 120.500 -0.079 0.000 2.189 302 R HA -0.021 4.333 4.340 0.024 0.000 0.223 302 R C 1.814 178.058 176.300 -0.093 0.000 1.092 302 R CA 0.672 56.733 56.100 -0.064 0.000 0.989 302 R CB -0.224 30.056 30.300 -0.033 0.000 0.876 302 R HN 0.475 nan 8.270 nan 0.000 0.457 303 R N 0.541 120.943 120.500 -0.164 0.000 2.423 303 R HA 0.121 4.475 4.340 0.024 0.000 0.248 303 R C 0.735 176.898 176.300 -0.228 0.000 1.019 303 R CA 0.094 56.083 56.100 -0.185 0.000 1.119 303 R CB 0.141 30.312 30.300 -0.215 0.000 1.176 303 R HN 0.093 nan 8.270 nan 0.000 0.526 304 R N 0.000 120.390 120.500 -0.184 0.000 2.786 304 R HA 0.000 4.354 4.340 0.024 0.000 0.208 304 R CA 0.000 56.013 56.100 -0.145 0.000 0.921 304 R CB 0.000 30.189 30.300 -0.184 0.000 0.687 304 R HN 0.000 nan 8.270 nan 0.000 0.535