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 1f4t_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYDWFSEMRK KDPVYYDGNI WQVFSYRYTK EVLNNFSKFS SDLTGYHERL DATA SEQUENCE EDLRNGKIRF DIPTRYTMLT SDPPLHDELR SMSADIFSPQ KLQTLETFIR DATA SEQUENCE ETTRSLLDSI DPREDDIVKK LAVPLPIIVI SKILGLPIED KEKFKEWSDL DATA SEQUENCE VAFRLGKPGE IFELGKKYLE LIGYVKDHLN SGTEVVSRVV NSNLSDIEKL DATA SEQUENCE GYIILLLIAG NETTTNLISN SVIDFTRFNL WQRIREENLY LKAIEEALRY DATA SEQUENCE SPPVMRTVRK TKERVKLGDQ TIEEGEYVRV WIASANRDEE VFHDGEKFIP DATA SEQUENCE DRNPNPHLSF GSGIHLCLGA PLARLEARIA IEEFSKRFRH IEILDTEKVP DATA SEQUENCE NEVLNGYKRL VVRLKSN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.702 176.300 -0.996 0.000 1.140 1 M CA 0.000 54.881 55.300 -0.699 0.000 0.988 1 M CB 0.000 32.067 32.600 -0.889 0.000 1.302 2 Y N 1.863 121.909 120.300 -0.423 0.000 2.373 2 Y HA -0.083 4.466 4.550 -0.002 0.000 0.293 2 Y C 2.077 177.923 175.900 -0.091 0.000 1.129 2 Y CA 1.397 59.366 58.100 -0.219 0.000 1.226 2 Y CB -0.154 38.258 38.460 -0.080 0.000 1.000 2 Y HN 0.255 nan 8.280 nan 0.000 0.549 3 D N -1.038 119.386 120.400 0.039 0.000 2.149 3 D HA -0.184 4.455 4.640 -0.002 0.000 0.201 3 D C 1.719 178.039 176.300 0.033 0.000 0.972 3 D CA 0.911 54.937 54.000 0.042 0.000 0.835 3 D CB -0.557 40.260 40.800 0.028 0.000 0.966 3 D HN 0.427 nan 8.370 nan 0.000 0.476 4 W N 1.181 122.342 121.300 -0.231 0.000 2.379 4 W HA -0.084 4.576 4.660 -0.001 0.000 0.307 4 W C 2.042 178.449 176.519 -0.186 0.000 1.200 4 W CA 1.161 58.349 57.345 -0.262 0.000 1.297 4 W CB -0.983 28.258 29.460 -0.365 0.000 1.140 4 W HN -0.105 nan 8.180 nan 0.000 0.507 5 F N 0.590 120.319 119.950 -0.368 0.000 2.091 5 F HA -0.358 4.168 4.527 -0.001 0.000 0.299 5 F C 2.699 178.282 175.800 -0.362 0.000 1.103 5 F CA 1.383 59.085 58.000 -0.497 0.000 1.228 5 F CB -1.012 37.846 39.000 -0.237 0.000 0.984 5 F HN -0.221 nan 8.300 nan 0.000 0.477 6 S N -0.097 115.623 115.700 0.034 0.000 2.359 6 S HA -0.216 4.253 4.470 -0.002 0.000 0.223 6 S C 1.820 176.360 174.600 -0.100 0.000 1.039 6 S CA 1.393 59.593 58.200 -0.001 0.000 1.042 6 S CB -0.367 62.854 63.200 0.035 0.000 0.915 6 S HN 0.315 nan 8.310 nan 0.000 0.439 7 E N 0.606 120.722 120.200 -0.139 0.000 2.118 7 E HA -0.100 4.249 4.350 -0.002 0.000 0.195 7 E C 2.009 178.441 176.600 -0.281 0.000 0.992 7 E CA 0.899 57.201 56.400 -0.162 0.000 0.804 7 E CB -0.251 29.378 29.700 -0.117 0.000 0.741 7 E HN 0.424 nan 8.360 nan 0.000 0.458 8 M N -0.382 118.897 119.600 -0.536 0.000 2.200 8 M HA -0.046 4.433 4.480 -0.002 0.000 0.265 8 M C 2.178 178.224 176.300 -0.422 0.000 1.066 8 M CA 1.005 55.845 55.300 -0.767 0.000 1.127 8 M CB -0.804 30.679 32.600 -1.862 0.000 1.379 8 M HN -0.024 nan 8.290 nan 0.000 0.420 9 R N 0.339 120.680 120.500 -0.264 0.000 2.120 9 R HA -0.135 4.204 4.340 -0.002 0.000 0.234 9 R C 2.317 178.604 176.300 -0.022 0.000 1.123 9 R CA 1.349 57.416 56.100 -0.054 0.000 0.975 9 R CB -0.018 30.284 30.300 0.003 0.000 0.866 9 R HN 0.310 nan 8.270 nan 0.000 0.446 10 K N 0.440 120.806 120.400 -0.057 0.000 2.044 10 K HA -0.109 4.210 4.320 -0.002 0.000 0.204 10 K C 1.327 177.919 176.600 -0.013 0.000 1.049 10 K CA 1.300 57.573 56.287 -0.023 0.000 0.945 10 K CB 0.233 32.716 32.500 -0.029 0.000 0.724 10 K HN 0.047 nan 8.250 nan 0.000 0.440 11 K N -0.537 119.834 120.400 -0.049 0.000 2.214 11 K HA 0.067 4.386 4.320 -0.002 0.000 0.201 11 K C -0.005 176.604 176.600 0.016 0.000 1.049 11 K CA 0.609 56.885 56.287 -0.019 0.000 0.978 11 K CB 0.544 33.020 32.500 -0.040 0.000 0.842 11 K HN 0.019 nan 8.250 nan 0.000 0.474 12 D N 0.667 121.051 120.400 -0.027 0.000 2.468 12 D HA 0.152 4.791 4.640 -0.002 0.000 0.272 12 D C -2.327 174.042 176.300 0.115 0.000 1.221 12 D CA -1.324 52.724 54.000 0.080 0.000 0.860 12 D CB 1.725 42.606 40.800 0.134 0.000 1.190 12 D HN -0.166 nan 8.370 nan 0.000 0.509 13 P HA -0.114 nan 4.420 nan 0.000 0.215 13 P C 0.539 178.116 177.300 0.461 0.000 1.153 13 P CA 0.838 64.131 63.100 0.322 0.000 0.853 13 P CB 0.549 32.474 31.700 0.374 0.000 0.788 14 V N -0.343 119.807 119.914 0.394 0.000 2.305 14 V HA 0.263 4.382 4.120 -0.002 0.000 0.275 14 V C -0.914 175.538 176.094 0.597 0.000 1.020 14 V CA -0.835 61.731 62.300 0.443 0.000 0.811 14 V CB 0.499 32.448 31.823 0.210 0.000 1.031 14 V HN -0.009 nan 8.190 nan 0.000 0.439 15 Y N 5.385 125.983 120.300 0.496 0.000 2.377 15 Y HA 0.663 5.212 4.550 -0.002 0.000 0.339 15 Y C -1.219 174.766 175.900 0.142 0.000 1.011 15 Y CA -1.216 57.077 58.100 0.321 0.000 1.093 15 Y CB 1.585 40.205 38.460 0.268 0.000 1.201 15 Y HN 0.604 nan 8.280 nan 0.000 0.455 16 Y N 6.583 126.245 120.300 -1.065 0.000 2.331 16 Y HA 0.288 4.838 4.550 -0.001 0.000 0.338 16 Y C 0.073 175.219 175.900 -1.256 0.000 0.992 16 Y CA -1.293 55.948 58.100 -1.431 0.000 1.121 16 Y CB 1.051 38.268 38.460 -2.072 0.000 1.184 16 Y HN 0.761 nan 8.280 nan 0.000 0.469 17 D N 2.605 122.260 120.400 -1.241 0.000 2.402 17 D HA 0.207 4.846 4.640 -0.002 0.000 0.216 17 D C 1.433 177.265 176.300 -0.778 0.000 1.128 17 D CA 0.460 54.000 54.000 -0.767 0.000 0.833 17 D CB 0.141 40.855 40.800 -0.144 0.000 0.971 17 D HN 0.906 nan 8.370 nan 0.000 0.503 18 G N 0.849 108.725 108.800 -1.540 0.000 2.217 18 G HA2 -0.370 3.589 3.960 -0.002 0.000 0.246 18 G HA3 -0.370 3.589 3.960 -0.002 0.000 0.246 18 G C 0.808 175.369 174.900 -0.564 0.000 0.990 18 G CA 0.409 44.954 45.100 -0.925 0.000 0.627 18 G HN 0.531 nan 8.290 nan 0.000 0.522 19 N N -0.434 117.935 118.700 -0.552 0.000 2.672 19 N HA 0.372 5.111 4.740 -0.002 0.000 0.229 19 N C 1.048 176.541 175.510 -0.027 0.000 1.043 19 N CA 0.637 53.585 53.050 -0.171 0.000 0.932 19 N CB 0.664 39.093 38.487 -0.097 0.000 1.500 19 N HN 0.743 nan 8.380 nan 0.000 0.445 20 I N -3.227 117.290 120.570 -0.088 0.000 3.279 20 I HA 0.548 4.717 4.170 -0.002 0.000 0.315 20 I C -1.654 174.545 176.117 0.137 0.000 1.187 20 I CA -1.027 60.379 61.300 0.176 0.000 0.953 20 I CB 1.504 39.629 38.000 0.207 0.000 1.279 20 I HN -0.095 nan 8.210 nan 0.000 0.465 21 W N 1.145 122.616 121.300 0.285 0.000 2.570 21 W HA 0.628 5.288 4.660 -0.001 0.000 0.337 21 W C -0.761 175.908 176.519 0.250 0.000 1.067 21 W CA -0.121 57.404 57.345 0.299 0.000 1.229 21 W CB 1.592 31.210 29.460 0.263 0.000 1.355 21 W HN 0.370 nan 8.180 nan 0.000 0.555 22 Q N 1.654 121.784 119.800 0.551 0.000 2.323 22 Q HA 0.582 4.921 4.340 -0.002 0.000 0.271 22 Q C -1.300 174.891 176.000 0.319 0.000 1.048 22 Q CA -1.042 54.989 55.803 0.379 0.000 0.792 22 Q CB 2.826 31.881 28.738 0.527 0.000 1.280 22 Q HN 0.182 nan 8.270 nan 0.000 0.441 23 V N 2.813 122.750 119.914 0.039 0.000 2.459 23 V HA 0.370 4.489 4.120 -0.002 0.000 0.295 23 V C -0.529 175.459 176.094 -0.177 0.000 1.029 23 V CA -0.238 62.113 62.300 0.085 0.000 0.874 23 V CB 1.008 32.869 31.823 0.064 0.000 0.985 23 V HN 0.779 nan 8.190 nan 0.000 0.438 24 F N 0.831 120.835 119.950 0.089 0.000 2.752 24 F HA 0.177 4.703 4.527 -0.002 0.000 0.310 24 F C 1.475 177.253 175.800 -0.035 0.000 1.097 24 F CA -0.065 57.896 58.000 -0.066 0.000 1.238 24 F CB 0.312 39.182 39.000 -0.217 0.000 1.061 24 F HN 0.522 nan 8.300 nan 0.000 0.591 25 S N -1.149 114.685 115.700 0.224 0.000 2.672 25 S HA 0.175 4.644 4.470 -0.002 0.000 0.276 25 S C 0.729 175.400 174.600 0.119 0.000 1.207 25 S CA -0.528 57.765 58.200 0.156 0.000 1.002 25 S CB 0.895 64.165 63.200 0.117 0.000 0.998 25 S HN 0.278 nan 8.310 nan 0.000 0.542 26 Y N 1.747 122.060 120.300 0.022 0.000 2.133 26 Y HA -0.100 4.449 4.550 -0.002 0.000 0.287 26 Y C 2.850 178.721 175.900 -0.049 0.000 1.134 26 Y CA 2.014 60.133 58.100 0.032 0.000 1.133 26 Y CB -0.308 38.203 38.460 0.084 0.000 0.987 26 Y HN 0.826 nan 8.280 nan 0.000 0.502 27 R N -0.845 119.701 120.500 0.077 0.000 2.115 27 R HA -0.278 4.061 4.340 -0.002 0.000 0.239 27 R C 2.006 178.194 176.300 -0.186 0.000 1.133 27 R CA 2.589 58.611 56.100 -0.131 0.000 0.935 27 R CB -0.823 29.226 30.300 -0.419 0.000 0.853 27 R HN 0.433 nan 8.270 nan 0.000 0.433 28 Y N 0.132 120.428 120.300 -0.007 0.000 2.263 28 Y HA -0.050 4.499 4.550 -0.002 0.000 0.292 28 Y C 2.628 178.436 175.900 -0.153 0.000 1.130 28 Y CA 1.310 59.368 58.100 -0.069 0.000 1.179 28 Y CB -0.878 37.570 38.460 -0.020 0.000 0.998 28 Y HN 0.110 nan 8.280 nan 0.000 0.532 29 T N 0.123 114.667 114.554 -0.017 0.000 2.684 29 T HA -0.227 4.122 4.350 -0.002 0.000 0.267 29 T C 2.006 176.586 174.700 -0.201 0.000 1.036 29 T CA 1.835 63.859 62.100 -0.126 0.000 1.148 29 T CB -0.192 68.591 68.868 -0.140 0.000 0.863 29 T HN 0.246 nan 8.240 nan 0.000 0.436 30 K N 0.734 120.967 120.400 -0.278 0.000 2.097 30 K HA -0.123 4.196 4.320 -0.002 0.000 0.206 30 K C 2.341 178.851 176.600 -0.150 0.000 1.049 30 K CA 1.414 57.542 56.287 -0.266 0.000 0.933 30 K CB -0.067 32.214 32.500 -0.364 0.000 0.717 30 K HN 0.405 nan 8.250 nan 0.000 0.442 31 E N 0.049 120.180 120.200 -0.116 0.000 2.051 31 E HA -0.175 4.174 4.350 -0.002 0.000 0.192 31 E C 1.850 178.325 176.600 -0.209 0.000 0.991 31 E CA 1.404 57.750 56.400 -0.090 0.000 0.799 31 E CB 0.115 29.817 29.700 0.004 0.000 0.748 31 E HN 0.122 nan 8.360 nan 0.000 0.449 32 V N 1.398 121.083 119.914 -0.382 0.000 2.255 32 V HA -0.295 3.824 4.120 -0.002 0.000 0.247 32 V C 2.524 178.428 176.094 -0.317 0.000 1.051 32 V CA 1.766 63.631 62.300 -0.725 0.000 1.018 32 V CB -0.535 30.827 31.823 -0.769 0.000 0.641 32 V HN 0.352 nan 8.190 nan 0.000 0.445 33 L N 0.094 121.210 121.223 -0.180 0.000 2.081 33 L HA -0.246 4.093 4.340 -0.002 0.000 0.212 33 L C 2.170 179.063 176.870 0.040 0.000 1.080 33 L CA 2.159 56.971 54.840 -0.047 0.000 0.754 33 L CB -0.746 41.284 42.059 -0.048 0.000 0.893 33 L HN 0.487 nan 8.230 nan 0.000 0.433 34 N N -0.885 117.821 118.700 0.010 0.000 2.376 34 N HA -0.095 4.644 4.740 -0.002 0.000 0.177 34 N C 0.796 176.350 175.510 0.072 0.000 1.024 34 N CA 0.004 53.094 53.050 0.066 0.000 0.893 34 N CB 0.066 38.569 38.487 0.025 0.000 0.980 34 N HN 0.149 nan 8.380 nan 0.000 0.439 35 N N 1.429 120.145 118.700 0.027 0.000 2.968 35 N HA -0.012 4.727 4.740 -0.002 0.000 0.271 35 N C 0.272 175.834 175.510 0.086 0.000 1.174 35 N CA -0.250 52.801 53.050 0.002 0.000 1.096 35 N CB -0.102 38.456 38.487 0.118 0.000 1.403 35 N HN 0.203 nan 8.380 nan 0.000 0.522 36 F N 1.018 121.020 119.950 0.087 0.000 2.407 36 F HA 0.040 4.566 4.527 -0.002 0.000 0.299 36 F C 2.045 177.868 175.800 0.037 0.000 1.097 36 F CA 0.399 58.443 58.000 0.073 0.000 1.422 36 F CB -0.869 38.146 39.000 0.024 0.000 1.067 36 F HN 0.258 nan 8.300 nan 0.000 0.539 37 S N 0.164 115.638 115.700 -0.377 0.000 2.423 37 S HA -0.091 4.378 4.470 -0.002 0.000 0.231 37 S C 1.653 176.177 174.600 -0.126 0.000 1.014 37 S CA 0.981 59.063 58.200 -0.196 0.000 0.965 37 S CB -0.492 62.504 63.200 -0.340 0.000 0.785 37 S HN 0.605 nan 8.310 nan 0.000 0.495 38 K N -0.581 119.734 120.400 -0.142 0.000 2.399 38 K HA 0.297 4.616 4.320 -0.002 0.000 0.196 38 K C -0.806 175.502 176.600 -0.486 0.000 1.103 38 K CA 0.059 56.161 56.287 -0.308 0.000 0.986 38 K CB 0.423 32.691 32.500 -0.385 0.000 0.952 38 K HN 0.350 nan 8.250 nan 0.000 0.541 39 F N 1.478 121.388 119.950 -0.067 0.000 2.359 39 F HA 0.253 4.779 4.527 -0.002 0.000 0.370 39 F C 0.349 176.146 175.800 -0.005 0.000 1.077 39 F CA -0.779 57.191 58.000 -0.051 0.000 1.136 39 F CB 1.415 40.386 39.000 -0.047 0.000 1.387 39 F HN -0.206 nan 8.300 nan 0.000 0.468 40 S N 0.886 116.625 115.700 0.065 0.000 2.585 40 S HA 0.211 4.680 4.470 -0.002 0.000 0.273 40 S C 1.085 175.720 174.600 0.059 0.000 1.339 40 S CA -0.308 57.925 58.200 0.054 0.000 1.028 40 S CB 0.952 64.136 63.200 -0.027 0.000 0.906 40 S HN 0.536 nan 8.310 nan 0.000 0.528 41 S N 1.721 117.454 115.700 0.056 0.000 2.539 41 S HA 0.125 4.594 4.470 -0.002 0.000 0.221 41 S C 0.089 174.731 174.600 0.070 0.000 0.987 41 S CA -0.322 57.884 58.200 0.010 0.000 0.929 41 S CB -0.009 63.109 63.200 -0.136 0.000 0.832 41 S HN 0.807 nan 8.310 nan 0.000 0.492 42 D N 2.143 122.597 120.400 0.090 0.000 2.671 42 D HA 0.105 4.744 4.640 -0.002 0.000 0.228 42 D C 0.580 176.966 176.300 0.143 0.000 1.102 42 D CA 0.086 54.182 54.000 0.159 0.000 1.044 42 D CB -0.461 40.387 40.800 0.080 0.000 1.113 42 D HN 0.304 nan 8.370 nan 0.000 0.480 43 L N 0.692 122.001 121.223 0.144 0.000 2.640 43 L HA 0.154 4.493 4.340 -0.002 0.000 0.230 43 L C 1.563 178.514 176.870 0.135 0.000 1.123 43 L CA 0.261 55.199 54.840 0.164 0.000 0.900 43 L CB 0.168 42.332 42.059 0.175 0.000 1.146 43 L HN 0.215 nan 8.230 nan 0.000 0.484 44 T N -4.568 110.061 114.554 0.125 0.000 3.200 44 T HA 0.356 4.705 4.350 -0.002 0.000 0.284 44 T C 1.246 176.008 174.700 0.104 0.000 1.009 44 T CA 0.301 62.437 62.100 0.059 0.000 0.907 44 T CB 0.846 69.680 68.868 -0.057 0.000 1.120 44 T HN 0.282 nan 8.240 nan 0.000 0.534 45 G N 1.019 109.941 108.800 0.204 0.000 2.148 45 G HA2 -0.378 3.581 3.960 -0.002 0.000 0.254 45 G HA3 -0.378 3.581 3.960 -0.002 0.000 0.254 45 G C 0.394 175.559 174.900 0.441 0.000 0.981 45 G CA 0.423 45.684 45.100 0.269 0.000 0.670 45 G HN 0.612 nan 8.290 nan 0.000 0.528 46 Y N -0.151 120.339 120.300 0.317 0.000 2.114 46 Y HA -0.206 4.343 4.550 -0.002 0.000 0.284 46 Y C 2.883 178.861 175.900 0.131 0.000 1.143 46 Y CA 2.016 60.328 58.100 0.354 0.000 1.135 46 Y CB 0.085 38.705 38.460 0.266 0.000 0.980 46 Y HN 0.477 nan 8.280 nan 0.000 0.499 47 H N -0.326 118.881 119.070 0.228 0.000 2.353 47 H HA -0.175 4.380 4.556 -0.002 0.000 0.300 47 H C 2.156 177.533 175.328 0.083 0.000 1.090 47 H CA 1.854 57.939 56.048 0.063 0.000 1.327 47 H CB -0.150 29.629 29.762 0.028 0.000 1.383 47 H HN 0.443 nan 8.280 nan 0.000 0.508 48 E N 1.221 121.560 120.200 0.233 0.000 2.077 48 E HA -0.178 4.171 4.350 -0.002 0.000 0.193 48 E C 1.414 178.083 176.600 0.115 0.000 0.989 48 E CA 1.162 57.653 56.400 0.152 0.000 0.800 48 E CB 0.139 29.924 29.700 0.142 0.000 0.746 48 E HN 0.601 nan 8.360 nan 0.000 0.452 49 R N 0.316 120.896 120.500 0.134 0.000 2.507 49 R HA 0.139 4.478 4.340 -0.002 0.000 0.298 49 R C 1.913 178.213 176.300 -0.000 0.000 0.999 49 R CA -0.140 55.998 56.100 0.063 0.000 1.082 49 R CB -0.081 30.258 30.300 0.064 0.000 1.246 49 R HN 0.103 nan 8.270 nan 0.000 0.553 50 L N 1.988 123.230 121.223 0.032 0.000 1.989 50 L HA -0.192 4.147 4.340 -0.002 0.000 0.211 50 L C 2.377 179.229 176.870 -0.030 0.000 1.071 50 L CA 2.206 57.044 54.840 -0.004 0.000 0.749 50 L CB -0.492 41.527 42.059 -0.066 0.000 0.890 50 L HN 0.433 nan 8.230 nan 0.000 0.431 51 E N -0.790 119.400 120.200 -0.016 0.000 2.049 51 E HA -0.285 4.064 4.350 -0.002 0.000 0.198 51 E C 1.520 178.107 176.600 -0.022 0.000 1.007 51 E CA 1.822 58.213 56.400 -0.015 0.000 0.809 51 E CB -0.194 29.505 29.700 -0.002 0.000 0.749 51 E HN 0.550 nan 8.360 nan 0.000 0.450 52 D N -0.024 120.364 120.400 -0.020 0.000 2.371 52 D HA -0.048 4.591 4.640 -0.002 0.000 0.221 52 D C 1.742 178.012 176.300 -0.050 0.000 0.986 52 D CA 0.394 54.380 54.000 -0.024 0.000 0.899 52 D CB 0.124 40.919 40.800 -0.008 0.000 0.902 52 D HN 0.287 nan 8.370 nan 0.000 0.530 53 L N 0.020 121.194 121.223 -0.082 0.000 2.130 53 L HA 0.006 4.345 4.340 -0.002 0.000 0.200 53 L C 2.389 179.212 176.870 -0.079 0.000 1.075 53 L CA 0.398 55.163 54.840 -0.125 0.000 0.768 53 L CB 0.019 41.948 42.059 -0.216 0.000 0.933 53 L HN -0.149 nan 8.230 nan 0.000 0.451 54 R N 0.999 121.466 120.500 -0.056 0.000 2.096 54 R HA -0.137 4.202 4.340 -0.002 0.000 0.235 54 R C 1.673 177.954 176.300 -0.032 0.000 1.127 54 R CA 1.578 57.656 56.100 -0.037 0.000 0.968 54 R CB -1.098 29.185 30.300 -0.027 0.000 0.861 54 R HN 0.565 nan 8.270 nan 0.000 0.440 55 N N -0.845 117.838 118.700 -0.029 0.000 2.398 55 N HA 0.029 4.768 4.740 -0.002 0.000 0.188 55 N C 0.935 176.432 175.510 -0.023 0.000 1.122 55 N CA 0.866 53.903 53.050 -0.021 0.000 0.866 55 N CB 0.243 38.722 38.487 -0.014 0.000 0.970 55 N HN 0.249 nan 8.380 nan 0.000 0.462 56 G N 0.181 108.962 108.800 -0.032 0.000 2.157 56 G HA2 -0.356 3.603 3.960 -0.002 0.000 0.248 56 G HA3 -0.356 3.603 3.960 -0.002 0.000 0.248 56 G C 0.855 175.744 174.900 -0.018 0.000 0.979 56 G CA 0.496 45.577 45.100 -0.032 0.000 0.650 56 G HN 0.457 nan 8.290 nan 0.000 0.529 57 K N -0.527 119.866 120.400 -0.011 0.000 2.211 57 K HA 0.178 4.497 4.320 -0.002 0.000 0.203 57 K C 1.057 177.668 176.600 0.018 0.000 1.050 57 K CA 0.700 56.991 56.287 0.006 0.000 0.945 57 K CB 0.201 32.705 32.500 0.007 0.000 0.732 57 K HN 0.518 nan 8.250 nan 0.000 0.451 58 I N 1.627 122.196 120.570 -0.002 0.000 2.312 58 I HA 0.114 4.283 4.170 -0.002 0.000 0.290 58 I C 0.924 177.033 176.117 -0.013 0.000 1.008 58 I CA -0.381 60.925 61.300 0.010 0.000 1.226 58 I CB 1.276 39.260 38.000 -0.027 0.000 1.371 58 I HN -0.012 nan 8.210 nan 0.000 0.468 59 R N 4.332 124.857 120.500 0.041 0.000 2.257 59 R HA 0.277 4.616 4.340 -0.002 0.000 0.195 59 R C -0.486 175.593 176.300 -0.368 0.000 0.921 59 R CA 0.548 56.563 56.100 -0.141 0.000 1.069 59 R CB 0.238 30.481 30.300 -0.095 0.000 1.115 59 R HN 0.331 nan 8.270 nan 0.000 0.571 60 F N 0.972 120.916 119.950 -0.010 0.000 2.449 60 F HA 0.462 4.989 4.527 -0.002 0.000 0.342 60 F C 0.119 175.918 175.800 -0.001 0.000 1.127 60 F CA -1.039 56.953 58.000 -0.013 0.000 0.975 60 F CB 1.518 40.508 39.000 -0.016 0.000 1.146 60 F HN -0.222 nan 8.300 nan 0.000 0.444 61 D N 1.300 121.766 120.400 0.109 0.000 2.738 61 D HA 0.346 4.985 4.640 -0.002 0.000 0.308 61 D C -1.380 174.929 176.300 0.016 0.000 1.311 61 D CA -0.391 53.672 54.000 0.104 0.000 0.799 61 D CB 2.330 43.249 40.800 0.198 0.000 1.332 61 D HN 0.098 nan 8.370 nan 0.000 0.441 62 I N 3.031 123.593 120.570 -0.013 0.000 2.347 62 I HA 0.189 4.358 4.170 -0.002 0.000 0.294 62 I C -1.431 174.638 176.117 -0.080 0.000 1.090 62 I CA -1.918 59.298 61.300 -0.140 0.000 1.314 62 I CB 0.188 38.116 38.000 -0.121 0.000 1.423 62 I HN 0.166 nan 8.210 nan 0.000 0.503 63 P HA -0.156 nan 4.420 nan 0.000 0.216 63 P C 1.476 178.771 177.300 -0.009 0.000 1.153 63 P CA 1.646 64.786 63.100 0.066 0.000 0.858 63 P CB 0.020 31.785 31.700 0.109 0.000 0.789 64 T N -3.492 111.081 114.554 0.031 0.000 3.155 64 T HA -0.020 4.329 4.350 -0.002 0.000 0.264 64 T C 1.570 176.142 174.700 -0.213 0.000 1.160 64 T CA 0.558 62.635 62.100 -0.039 0.000 1.075 64 T CB -0.630 68.266 68.868 0.046 0.000 0.921 64 T HN 0.145 nan 8.240 nan 0.000 0.533 65 R N -0.163 120.051 120.500 -0.478 0.000 2.200 65 R HA 0.105 4.444 4.340 -0.002 0.000 0.208 65 R C -0.242 175.458 176.300 -1.001 0.000 1.033 65 R CA 0.581 56.219 56.100 -0.769 0.000 1.000 65 R CB 0.075 29.664 30.300 -1.185 0.000 0.906 65 R HN 0.498 nan 8.270 nan 0.000 0.462 66 Y N 0.544 120.612 120.300 -0.386 0.000 2.836 66 Y HA 0.257 4.806 4.550 -0.002 0.000 0.359 66 Y C 0.196 175.735 175.900 -0.602 0.000 1.060 66 Y CA -1.008 56.512 58.100 -0.967 0.000 1.161 66 Y CB 0.644 38.473 38.460 -1.051 0.000 1.225 66 Y HN -0.120 nan 8.280 nan 0.000 0.621 67 T N -2.704 111.750 114.554 -0.167 0.000 2.887 67 T HA 0.357 4.706 4.350 -0.002 0.000 0.292 67 T C 1.120 175.930 174.700 0.182 0.000 1.087 67 T CA -0.990 61.108 62.100 -0.003 0.000 1.009 67 T CB 1.218 70.059 68.868 -0.044 0.000 1.203 67 T HN 0.489 nan 8.240 nan 0.000 0.518 68 M N 0.574 120.197 119.600 0.038 0.000 2.279 68 M HA 0.054 4.533 4.480 -0.002 0.000 0.264 68 M C 1.875 178.362 176.300 0.311 0.000 1.062 68 M CA 1.453 56.841 55.300 0.147 0.000 1.099 68 M CB -0.901 31.660 32.600 -0.065 0.000 1.394 68 M HN 0.499 nan 8.290 nan 0.000 0.426 69 L N 2.169 123.498 121.223 0.177 0.000 2.079 69 L HA -0.094 4.245 4.340 -0.002 0.000 0.210 69 L C 1.543 178.424 176.870 0.019 0.000 1.081 69 L CA 2.156 57.061 54.840 0.107 0.000 0.752 69 L CB -0.567 41.516 42.059 0.040 0.000 0.896 69 L HN 0.644 nan 8.230 nan 0.000 0.433 70 T N -2.553 112.077 114.554 0.126 0.000 3.255 70 T HA 0.490 4.839 4.350 -0.002 0.000 0.243 70 T C 0.101 174.989 174.700 0.313 0.000 1.057 70 T CA 0.057 62.243 62.100 0.143 0.000 1.121 70 T CB -0.560 68.373 68.868 0.109 0.000 1.104 70 T HN 0.389 nan 8.240 nan 0.000 0.571 71 S N -0.179 115.725 115.700 0.341 0.000 2.569 71 S HA 0.787 5.256 4.470 -0.002 0.000 0.280 71 S C -1.655 173.179 174.600 0.391 0.000 1.111 71 S CA -0.871 57.563 58.200 0.390 0.000 0.887 71 S CB 2.232 65.545 63.200 0.188 0.000 1.095 71 S HN 0.181 nan 8.310 nan 0.000 0.476 72 D N 1.118 121.783 120.400 0.442 0.000 2.392 72 D HA 0.656 5.295 4.640 -0.002 0.000 0.246 72 D C -2.768 173.614 176.300 0.137 0.000 1.013 72 D CA -1.633 52.447 54.000 0.133 0.000 0.993 72 D CB 1.311 42.084 40.800 -0.044 0.000 1.219 72 D HN 0.276 nan 8.370 nan 0.000 0.538 73 P HA 0.175 nan 4.420 nan 0.000 0.274 73 P C -1.625 175.714 177.300 0.066 0.000 1.231 73 P CA -0.806 62.279 63.100 -0.024 0.000 0.790 73 P CB 0.335 31.909 31.700 -0.210 0.000 0.951 74 P HA -0.008 nan 4.420 nan 0.000 0.240 74 P C 1.229 178.533 177.300 0.005 0.000 1.190 74 P CA 0.381 63.494 63.100 0.022 0.000 0.781 74 P CB 0.076 31.786 31.700 0.017 0.000 0.931 75 L N 0.674 121.906 121.223 0.016 0.000 2.042 75 L HA -0.178 4.161 4.340 -0.002 0.000 0.210 75 L C 2.614 179.442 176.870 -0.069 0.000 1.076 75 L CA 2.069 56.853 54.840 -0.093 0.000 0.749 75 L CB -1.642 40.232 42.059 -0.308 0.000 0.893 75 L HN -0.015 nan 8.230 nan 0.000 0.432 76 H N -0.400 118.618 119.070 -0.088 0.000 2.265 76 H HA -0.250 4.305 4.556 -0.002 0.000 0.293 76 H C 2.126 177.391 175.328 -0.104 0.000 1.089 76 H CA 2.488 58.478 56.048 -0.096 0.000 1.244 76 H CB -0.493 29.171 29.762 -0.164 0.000 1.355 76 H HN 0.559 nan 8.280 nan 0.000 0.485 77 D N -0.170 120.098 120.400 -0.219 0.000 2.178 77 D HA -0.138 4.502 4.640 -0.002 0.000 0.202 77 D C 1.726 177.933 176.300 -0.155 0.000 0.974 77 D CA 1.146 55.004 54.000 -0.236 0.000 0.841 77 D CB 0.026 40.764 40.800 -0.104 0.000 0.953 77 D HN 0.671 nan 8.370 nan 0.000 0.478 78 E N 0.077 120.218 120.200 -0.100 0.000 2.160 78 E HA -0.163 4.186 4.350 -0.002 0.000 0.195 78 E C 2.355 178.938 176.600 -0.028 0.000 0.991 78 E CA 0.622 56.989 56.400 -0.055 0.000 0.810 78 E CB 0.081 29.754 29.700 -0.045 0.000 0.742 78 E HN 0.401 nan 8.360 nan 0.000 0.466 79 L N -0.029 121.158 121.223 -0.060 0.000 2.084 79 L HA -0.025 4.314 4.340 -0.002 0.000 0.202 79 L C 2.733 179.614 176.870 0.018 0.000 1.074 79 L CA 0.722 55.577 54.840 0.025 0.000 0.757 79 L CB -0.309 41.702 42.059 -0.080 0.000 0.918 79 L HN -0.010 nan 8.230 nan 0.000 0.444 80 R N 0.745 121.127 120.500 -0.197 0.000 2.096 80 R HA -0.166 4.173 4.340 -0.002 0.000 0.235 80 R C 2.559 178.823 176.300 -0.060 0.000 1.127 80 R CA 1.666 57.664 56.100 -0.170 0.000 0.968 80 R CB -0.200 29.870 30.300 -0.384 0.000 0.861 80 R HN 0.438 nan 8.270 nan 0.000 0.440 81 S N 0.163 115.817 115.700 -0.076 0.000 2.420 81 S HA -0.212 4.257 4.470 -0.002 0.000 0.237 81 S C 1.927 176.517 174.600 -0.017 0.000 1.023 81 S CA 1.526 59.699 58.200 -0.045 0.000 0.991 81 S CB -0.314 62.858 63.200 -0.046 0.000 0.792 81 S HN 0.389 nan 8.310 nan 0.000 0.488 82 M N 1.606 121.218 119.600 0.021 0.000 2.476 82 M HA 0.032 4.511 4.480 -0.002 0.000 0.262 82 M C 1.588 177.874 176.300 -0.025 0.000 1.079 82 M CA 1.291 56.591 55.300 0.000 0.000 1.104 82 M CB -0.257 32.344 32.600 0.002 0.000 1.409 82 M HN 0.695 nan 8.290 nan 0.000 0.467 83 S N -2.162 113.548 115.700 0.017 0.000 2.893 83 S HA 0.350 4.819 4.470 -0.002 0.000 0.258 83 S C 1.392 175.941 174.600 -0.085 0.000 1.034 83 S CA 0.073 58.246 58.200 -0.045 0.000 1.167 83 S CB 0.026 63.239 63.200 0.022 0.000 1.137 83 S HN 0.260 nan 8.310 nan 0.000 0.650 84 A N 2.939 125.729 122.820 -0.049 0.000 2.093 84 A HA -0.151 4.168 4.320 -0.002 0.000 0.222 84 A C 1.726 179.275 177.584 -0.058 0.000 1.162 84 A CA 1.878 53.887 52.037 -0.047 0.000 0.655 84 A CB -0.572 18.407 19.000 -0.036 0.000 0.805 84 A HN 0.783 nan 8.150 nan 0.000 0.461 85 D N -1.333 119.018 120.400 -0.081 0.000 2.501 85 D HA 0.065 4.704 4.640 -0.002 0.000 0.224 85 D C 1.161 177.384 176.300 -0.127 0.000 1.202 85 D CA -0.160 53.798 54.000 -0.069 0.000 0.829 85 D CB -0.746 40.029 40.800 -0.042 0.000 1.023 85 D HN 0.465 nan 8.370 nan 0.000 0.499 86 I N -0.455 119.950 120.570 -0.274 0.000 2.315 86 I HA -0.151 4.018 4.170 -0.002 0.000 0.251 86 I C 0.155 176.010 176.117 -0.436 0.000 1.125 86 I CA 1.105 62.131 61.300 -0.457 0.000 1.392 86 I CB -0.015 37.517 38.000 -0.781 0.000 1.065 86 I HN -0.142 nan 8.210 nan 0.000 0.424 87 F N 1.302 121.266 119.950 0.023 0.000 2.893 87 F HA 0.245 4.771 4.527 -0.002 0.000 0.340 87 F C 1.028 176.836 175.800 0.014 0.000 1.300 87 F CA -1.051 56.962 58.000 0.021 0.000 1.227 87 F CB 0.062 39.074 39.000 0.019 0.000 1.044 87 F HN -0.037 nan 8.300 nan 0.000 0.512 88 S N -0.490 115.280 115.700 0.118 0.000 2.568 88 S HA 0.121 4.590 4.470 -0.002 0.000 0.282 88 S C -1.765 172.886 174.600 0.085 0.000 1.338 88 S CA -0.990 57.257 58.200 0.077 0.000 1.045 88 S CB 1.240 64.462 63.200 0.036 0.000 0.873 88 S HN 0.057 nan 8.310 nan 0.000 0.516 89 P HA -0.181 nan 4.420 nan 0.000 0.216 89 P C 1.299 178.632 177.300 0.054 0.000 1.154 89 P CA 1.470 64.605 63.100 0.058 0.000 0.865 89 P CB -0.019 31.707 31.700 0.044 0.000 0.789 90 Q N -0.315 119.512 119.800 0.045 0.000 2.079 90 Q HA -0.118 4.221 4.340 -0.002 0.000 0.200 90 Q C 2.001 178.029 176.000 0.046 0.000 0.974 90 Q CA 1.521 57.348 55.803 0.039 0.000 0.840 90 Q CB -0.745 28.010 28.738 0.029 0.000 0.898 90 Q HN 0.290 nan 8.270 nan 0.000 0.430 91 K N -0.116 120.317 120.400 0.055 0.000 2.057 91 K HA -0.085 4.234 4.320 -0.002 0.000 0.206 91 K C 1.845 178.495 176.600 0.084 0.000 1.050 91 K CA 0.872 57.197 56.287 0.064 0.000 0.935 91 K CB -0.162 32.381 32.500 0.072 0.000 0.715 91 K HN 0.060 nan 8.250 nan 0.000 0.439 92 L N 1.658 122.940 121.223 0.098 0.000 2.083 92 L HA -0.183 4.156 4.340 -0.002 0.000 0.209 92 L C 2.580 179.496 176.870 0.076 0.000 1.083 92 L CA 1.616 56.514 54.840 0.096 0.000 0.752 92 L CB -0.697 41.416 42.059 0.089 0.000 0.899 92 L HN 0.238 nan 8.230 nan 0.000 0.433 93 Q N -0.305 119.533 119.800 0.064 0.000 2.096 93 Q HA -0.221 4.118 4.340 -0.002 0.000 0.204 93 Q C 2.150 178.185 176.000 0.058 0.000 0.982 93 Q CA 2.470 58.306 55.803 0.055 0.000 0.850 93 Q CB -0.214 28.551 28.738 0.045 0.000 0.901 93 Q HN 0.671 nan 8.270 nan 0.000 0.422 94 T N -1.644 112.945 114.554 0.057 0.000 2.915 94 T HA -0.049 4.300 4.350 -0.002 0.000 0.269 94 T C 2.022 176.769 174.700 0.079 0.000 1.071 94 T CA 0.906 63.040 62.100 0.057 0.000 1.132 94 T CB -0.278 68.616 68.868 0.043 0.000 0.878 94 T HN 0.260 nan 8.240 nan 0.000 0.479 95 L N 0.360 121.640 121.223 0.095 0.000 2.341 95 L HA 0.110 4.449 4.340 -0.002 0.000 0.214 95 L C 2.819 179.787 176.870 0.163 0.000 1.115 95 L CA 0.742 55.670 54.840 0.147 0.000 0.820 95 L CB -0.456 41.693 42.059 0.150 0.000 0.944 95 L HN 0.344 nan 8.230 nan 0.000 0.452 96 E N -0.111 120.152 120.200 0.105 0.000 2.114 96 E HA -0.255 4.094 4.350 -0.002 0.000 0.199 96 E C 1.969 178.614 176.600 0.075 0.000 1.008 96 E CA 1.983 58.429 56.400 0.077 0.000 0.810 96 E CB -0.232 29.500 29.700 0.054 0.000 0.739 96 E HN 0.456 nan 8.360 nan 0.000 0.456 97 T N 0.822 115.430 114.554 0.091 0.000 2.746 97 T HA -0.162 4.187 4.350 -0.002 0.000 0.267 97 T C 1.474 176.236 174.700 0.104 0.000 1.039 97 T CA 1.158 63.307 62.100 0.082 0.000 1.142 97 T CB -0.367 68.553 68.868 0.086 0.000 0.866 97 T HN 0.176 nan 8.240 nan 0.000 0.444 98 F N 1.700 121.660 119.950 0.017 0.000 2.102 98 F HA 0.001 4.527 4.527 -0.002 0.000 0.298 98 F C 1.959 177.768 175.800 0.015 0.000 1.105 98 F CA 0.855 58.865 58.000 0.017 0.000 1.239 98 F CB -0.536 38.477 39.000 0.022 0.000 0.991 98 F HN 0.078 nan 8.300 nan 0.000 0.474 99 I N 0.079 120.625 120.570 -0.040 0.000 2.163 99 I HA -0.319 3.850 4.170 -0.002 0.000 0.243 99 I C 2.743 178.773 176.117 -0.145 0.000 1.085 99 I CA 1.619 62.843 61.300 -0.128 0.000 1.347 99 I CB -0.590 37.423 38.000 0.022 0.000 1.044 99 I HN 0.112 nan 8.210 nan 0.000 0.408 100 R N 0.834 121.289 120.500 -0.074 0.000 2.073 100 R HA -0.247 4.092 4.340 -0.002 0.000 0.234 100 R C 2.296 178.541 176.300 -0.092 0.000 1.134 100 R CA 2.037 58.100 56.100 -0.061 0.000 0.952 100 R CB -0.154 30.129 30.300 -0.028 0.000 0.850 100 R HN 0.238 nan 8.270 nan 0.000 0.433 101 E N -0.424 119.709 120.200 -0.111 0.000 2.085 101 E HA -0.154 4.195 4.350 -0.002 0.000 0.194 101 E C 1.669 178.166 176.600 -0.173 0.000 0.994 101 E CA 2.259 58.590 56.400 -0.114 0.000 0.801 101 E CB -0.184 29.463 29.700 -0.088 0.000 0.743 101 E HN 0.260 nan 8.360 nan 0.000 0.453 102 T N -0.386 113.977 114.554 -0.318 0.000 2.652 102 T HA -0.161 4.188 4.350 -0.002 0.000 0.267 102 T C 1.854 176.452 174.700 -0.171 0.000 1.039 102 T CA 1.915 63.815 62.100 -0.333 0.000 1.153 102 T CB -0.709 67.824 68.868 -0.559 0.000 0.863 102 T HN 0.265 nan 8.240 nan 0.000 0.428 103 T N 2.300 116.774 114.554 -0.133 0.000 2.684 103 T HA -0.108 4.241 4.350 -0.002 0.000 0.267 103 T C 2.189 176.878 174.700 -0.018 0.000 1.036 103 T CA 0.946 63.017 62.100 -0.049 0.000 1.148 103 T CB -0.177 68.678 68.868 -0.021 0.000 0.863 103 T HN 0.297 nan 8.240 nan 0.000 0.436 104 R N 0.922 121.398 120.500 -0.039 0.000 2.083 104 R HA -0.065 4.274 4.340 -0.002 0.000 0.237 104 R C 2.883 179.169 176.300 -0.024 0.000 1.137 104 R CA 1.478 57.559 56.100 -0.031 0.000 0.951 104 R CB -1.025 29.247 30.300 -0.047 0.000 0.851 104 R HN 0.342 nan 8.270 nan 0.000 0.434 105 S N 0.884 116.560 115.700 -0.040 0.000 2.368 105 S HA -0.040 4.429 4.470 -0.002 0.000 0.225 105 S C 2.109 176.705 174.600 -0.008 0.000 1.030 105 S CA 0.775 58.958 58.200 -0.030 0.000 0.999 105 S CB -0.093 63.078 63.200 -0.049 0.000 0.844 105 S HN 0.206 nan 8.310 nan 0.000 0.459 106 L N 0.971 122.189 121.223 -0.008 0.000 2.046 106 L HA -0.059 4.280 4.340 -0.002 0.000 0.208 106 L C 2.372 179.282 176.870 0.067 0.000 1.077 106 L CA 1.032 55.881 54.840 0.015 0.000 0.747 106 L CB -0.549 41.513 42.059 0.004 0.000 0.896 106 L HN 0.337 nan 8.230 nan 0.000 0.432 107 L N -0.598 120.686 121.223 0.101 0.000 2.191 107 L HA -0.204 4.135 4.340 -0.002 0.000 0.212 107 L C 2.026 178.999 176.870 0.172 0.000 1.103 107 L CA 0.841 55.803 54.840 0.202 0.000 0.769 107 L CB -0.560 41.621 42.059 0.202 0.000 0.908 107 L HN 0.297 nan 8.230 nan 0.000 0.438 108 D N -0.395 120.051 120.400 0.076 0.000 2.264 108 D HA -0.108 4.531 4.640 -0.002 0.000 0.208 108 D C 2.247 178.584 176.300 0.061 0.000 0.966 108 D CA 1.473 55.503 54.000 0.051 0.000 0.864 108 D CB 0.195 41.001 40.800 0.011 0.000 0.933 108 D HN 0.359 nan 8.370 nan 0.000 0.499 109 S N -0.257 115.478 115.700 0.059 0.000 2.527 109 S HA 0.034 4.503 4.470 -0.002 0.000 0.222 109 S C 1.082 175.714 174.600 0.052 0.000 0.985 109 S CA -0.224 58.001 58.200 0.042 0.000 0.921 109 S CB -0.085 63.130 63.200 0.025 0.000 0.772 109 S HN 0.102 nan 8.310 nan 0.000 0.529 110 I N 3.105 123.730 120.570 0.091 0.000 2.533 110 I HA 0.132 4.301 4.170 -0.002 0.000 0.284 110 I C -0.007 176.146 176.117 0.061 0.000 1.109 110 I CA -0.226 61.117 61.300 0.071 0.000 1.412 110 I CB 0.490 38.543 38.000 0.088 0.000 1.396 110 I HN 0.102 nan 8.210 nan 0.000 0.543 111 D N 9.557 129.966 120.400 0.016 0.000 2.380 111 D HA 0.191 4.830 4.640 -0.002 0.000 0.230 111 D C -1.698 174.592 176.300 -0.016 0.000 1.154 111 D CA -2.335 51.671 54.000 0.011 0.000 0.859 111 D CB 1.502 42.301 40.800 -0.001 0.000 1.045 111 D HN 0.174 nan 8.370 nan 0.000 0.495 112 P HA -0.143 nan 4.420 nan 0.000 0.217 112 P C 1.448 178.724 177.300 -0.040 0.000 1.148 112 P CA 0.742 63.824 63.100 -0.030 0.000 0.828 112 P CB 0.282 32.016 31.700 0.057 0.000 0.783 113 R N -0.295 120.192 120.500 -0.021 0.000 2.091 113 R HA -0.048 4.291 4.340 -0.002 0.000 0.238 113 R C 0.795 177.076 176.300 -0.031 0.000 1.136 113 R CA 1.163 57.249 56.100 -0.022 0.000 0.959 113 R CB -0.202 30.089 30.300 -0.015 0.000 0.856 113 R HN 0.333 nan 8.270 nan 0.000 0.437 114 E N 0.134 120.312 120.200 -0.036 0.000 2.830 114 E HA 0.090 4.439 4.350 -0.002 0.000 0.333 114 E C -2.041 174.535 176.600 -0.040 0.000 0.974 114 E CA -0.237 56.139 56.400 -0.039 0.000 0.819 114 E CB 0.954 30.637 29.700 -0.028 0.000 1.293 114 E HN -0.099 nan 8.360 nan 0.000 0.419 115 D N 1.775 122.144 120.400 -0.051 0.000 2.622 115 D HA 0.201 4.840 4.640 -0.002 0.000 0.255 115 D C -1.858 174.411 176.300 -0.051 0.000 1.246 115 D CA -0.381 53.592 54.000 -0.046 0.000 0.795 115 D CB 2.046 42.818 40.800 -0.046 0.000 1.369 115 D HN 0.362 nan 8.370 nan 0.000 0.425 116 D N 1.378 121.753 120.400 -0.042 0.000 2.396 116 D HA 0.193 4.832 4.640 -0.002 0.000 0.225 116 D C 1.551 177.820 176.300 -0.051 0.000 1.121 116 D CA -0.433 53.541 54.000 -0.044 0.000 0.853 116 D CB 0.542 41.325 40.800 -0.029 0.000 1.043 116 D HN 0.470 nan 8.370 nan 0.000 0.500 117 I N 1.034 121.558 120.570 -0.076 0.000 2.830 117 I HA -0.108 4.061 4.170 -0.002 0.000 0.263 117 I C 1.392 177.460 176.117 -0.081 0.000 1.230 117 I CA 0.126 61.371 61.300 -0.091 0.000 1.480 117 I CB -0.061 37.835 38.000 -0.173 0.000 1.095 117 I HN 0.107 nan 8.210 nan 0.000 0.455 118 V N 1.804 121.680 119.914 -0.064 0.000 2.379 118 V HA -0.224 3.895 4.120 -0.002 0.000 0.245 118 V C 2.748 178.825 176.094 -0.027 0.000 1.044 118 V CA 2.115 64.392 62.300 -0.038 0.000 1.036 118 V CB -0.741 31.078 31.823 -0.006 0.000 0.664 118 V HN 0.468 nan 8.190 nan 0.000 0.453 119 K N -0.121 120.263 120.400 -0.026 0.000 2.057 119 K HA -0.159 4.160 4.320 -0.002 0.000 0.206 119 K C 2.168 178.754 176.600 -0.024 0.000 1.050 119 K CA 1.081 57.354 56.287 -0.023 0.000 0.935 119 K CB 0.033 32.520 32.500 -0.021 0.000 0.715 119 K HN 0.220 nan 8.250 nan 0.000 0.439 120 K N 0.249 120.636 120.400 -0.022 0.000 2.243 120 K HA -0.029 4.290 4.320 -0.002 0.000 0.201 120 K C 1.785 178.382 176.600 -0.006 0.000 1.051 120 K CA 0.620 56.901 56.287 -0.010 0.000 0.970 120 K CB 0.145 32.646 32.500 0.002 0.000 0.755 120 K HN 0.195 nan 8.250 nan 0.000 0.465 121 L N -1.147 120.067 121.223 -0.016 0.000 2.691 121 L HA 0.317 4.656 4.340 -0.002 0.000 0.185 121 L C 1.886 178.740 176.870 -0.027 0.000 1.081 121 L CA 0.928 55.760 54.840 -0.013 0.000 0.865 121 L CB -0.633 41.424 42.059 -0.003 0.000 1.370 121 L HN -0.074 nan 8.230 nan 0.000 0.488 122 A N -0.256 122.539 122.820 -0.042 0.000 1.908 122 A HA -0.133 4.186 4.320 -0.002 0.000 0.218 122 A C 2.109 179.683 177.584 -0.016 0.000 1.181 122 A CA 2.439 54.456 52.037 -0.033 0.000 0.627 122 A CB -1.048 17.928 19.000 -0.040 0.000 0.818 122 A HN 0.305 nan 8.150 nan 0.000 0.445 123 V N 0.143 120.047 119.914 -0.017 0.000 2.323 123 V HA -0.105 4.014 4.120 -0.002 0.000 0.244 123 V C -0.149 175.928 176.094 -0.029 0.000 1.041 123 V CA 2.223 64.515 62.300 -0.013 0.000 1.025 123 V CB -1.276 30.539 31.823 -0.014 0.000 0.656 123 V HN 0.378 nan 8.190 nan 0.000 0.451 124 P HA -0.136 nan 4.420 nan 0.000 0.215 124 P C 2.078 179.340 177.300 -0.063 0.000 1.157 124 P CA 1.298 64.360 63.100 -0.063 0.000 0.863 124 P CB -0.016 31.652 31.700 -0.054 0.000 0.787 125 L N -0.488 120.709 121.223 -0.043 0.000 1.963 125 L HA -0.183 4.156 4.340 -0.002 0.000 0.220 125 L C -0.531 176.327 176.870 -0.020 0.000 1.076 125 L CA 3.002 57.819 54.840 -0.038 0.000 0.772 125 L CB -1.965 40.080 42.059 -0.023 0.000 0.892 125 L HN 0.055 nan 8.230 nan 0.000 0.435 126 P HA -0.174 nan 4.420 nan 0.000 0.216 126 P C 1.811 179.116 177.300 0.009 0.000 1.150 126 P CA 1.529 64.639 63.100 0.016 0.000 0.837 126 P CB 0.029 31.747 31.700 0.030 0.000 0.786 127 I N -1.238 119.298 120.570 -0.055 0.000 2.179 127 I HA -0.225 3.944 4.170 -0.002 0.000 0.242 127 I C 2.295 178.295 176.117 -0.196 0.000 1.088 127 I CA 1.462 62.642 61.300 -0.199 0.000 1.357 127 I CB -0.587 37.174 38.000 -0.398 0.000 1.051 127 I HN -0.126 nan 8.210 nan 0.000 0.409 128 I N 0.110 120.614 120.570 -0.111 0.000 2.208 128 I HA -0.261 3.908 4.170 -0.002 0.000 0.245 128 I C 2.512 178.739 176.117 0.183 0.000 1.097 128 I CA 1.259 62.563 61.300 0.006 0.000 1.363 128 I CB -0.381 37.624 38.000 0.009 0.000 1.051 128 I HN 0.042 nan 8.210 nan 0.000 0.413 129 V N 0.590 120.616 119.914 0.186 0.000 2.307 129 V HA -0.250 3.869 4.120 -0.002 0.000 0.245 129 V C 2.354 178.560 176.094 0.187 0.000 1.045 129 V CA 1.661 64.135 62.300 0.289 0.000 1.024 129 V CB -0.398 31.540 31.823 0.191 0.000 0.651 129 V HN 0.331 nan 8.190 nan 0.000 0.449 130 I N 0.051 120.705 120.570 0.140 0.000 2.315 130 I HA -0.173 3.996 4.170 -0.002 0.000 0.248 130 I C 2.666 178.888 176.117 0.176 0.000 1.117 130 I CA 1.808 63.212 61.300 0.174 0.000 1.404 130 I CB -0.411 37.707 38.000 0.197 0.000 1.071 130 I HN 0.287 nan 8.210 nan 0.000 0.419 131 S N 0.231 116.016 115.700 0.142 0.000 2.370 131 S HA -0.286 4.183 4.470 -0.002 0.000 0.226 131 S C 2.233 176.890 174.600 0.097 0.000 1.033 131 S CA 1.961 60.252 58.200 0.152 0.000 1.011 131 S CB -0.402 62.836 63.200 0.064 0.000 0.852 131 S HN 0.473 nan 8.310 nan 0.000 0.457 132 K N 1.198 121.625 120.400 0.045 0.000 2.026 132 K HA 0.083 4.402 4.320 -0.002 0.000 0.208 132 K C 1.929 178.483 176.600 -0.076 0.000 1.048 132 K CA 1.825 58.043 56.287 -0.116 0.000 0.929 132 K CB -0.696 31.537 32.500 -0.445 0.000 0.713 132 K HN 0.535 nan 8.250 nan 0.000 0.439 133 I N 0.390 120.968 120.570 0.013 0.000 2.226 133 I HA -0.261 3.908 4.170 -0.002 0.000 0.245 133 I C 1.964 178.121 176.117 0.067 0.000 1.100 133 I CA 1.247 62.585 61.300 0.063 0.000 1.374 133 I CB -0.170 37.941 38.000 0.184 0.000 1.057 133 I HN 0.140 nan 8.210 nan 0.000 0.413 134 L N -0.151 121.130 121.223 0.097 0.000 2.375 134 L HA 0.169 4.508 4.340 -0.002 0.000 0.215 134 L C 1.690 178.598 176.870 0.064 0.000 1.108 134 L CA 0.722 55.614 54.840 0.086 0.000 0.830 134 L CB -0.310 41.828 42.059 0.132 0.000 0.959 134 L HN 0.504 nan 8.230 nan 0.000 0.457 135 G N 0.624 109.462 108.800 0.063 0.000 2.157 135 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.248 135 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.248 135 G C 0.145 175.100 174.900 0.092 0.000 0.979 135 G CA -0.242 44.891 45.100 0.054 0.000 0.650 135 G HN 0.199 nan 8.290 nan 0.000 0.529 136 L N 1.383 122.691 121.223 0.142 0.000 2.265 136 L HA 0.406 4.745 4.340 -0.002 0.000 0.288 136 L C -1.933 175.105 176.870 0.281 0.000 1.058 136 L CA -2.164 52.791 54.840 0.192 0.000 0.809 136 L CB 1.255 43.460 42.059 0.243 0.000 1.179 136 L HN -0.133 nan 8.230 nan 0.000 0.429 137 P HA 0.071 nan 4.420 nan 0.000 0.265 137 P C -0.531 176.964 177.300 0.325 0.000 1.193 137 P CA 0.224 63.460 63.100 0.228 0.000 0.765 137 P CB 0.497 32.288 31.700 0.153 0.000 0.823 138 I N 3.384 124.075 120.570 0.201 0.000 2.304 138 I HA 0.137 4.306 4.170 -0.002 0.000 0.291 138 I C 1.119 177.306 176.117 0.116 0.000 1.018 138 I CA 0.293 61.681 61.300 0.148 0.000 1.260 138 I CB 0.893 38.857 38.000 -0.060 0.000 1.390 138 I HN 0.470 nan 8.210 nan 0.000 0.475 139 E N 2.866 123.139 120.200 0.122 0.000 2.625 139 E HA 0.050 4.399 4.350 -0.002 0.000 0.185 139 E C -0.125 176.491 176.600 0.026 0.000 1.085 139 E CA -0.313 56.136 56.400 0.081 0.000 1.137 139 E CB 0.365 30.135 29.700 0.118 0.000 1.687 139 E HN 0.460 nan 8.360 nan 0.000 0.512 140 D N 1.287 121.676 120.400 -0.019 0.000 2.393 140 D HA 0.059 4.698 4.640 -0.002 0.000 0.232 140 D C 0.278 176.514 176.300 -0.107 0.000 1.192 140 D CA 0.139 54.092 54.000 -0.078 0.000 0.882 140 D CB 0.807 41.528 40.800 -0.133 0.000 1.038 140 D HN 0.059 nan 8.370 nan 0.000 0.499 141 K N 2.274 122.632 120.400 -0.070 0.000 2.147 141 K HA -0.137 4.182 4.320 -0.002 0.000 0.205 141 K C 1.455 177.997 176.600 -0.097 0.000 1.049 141 K CA 1.024 57.270 56.287 -0.068 0.000 0.936 141 K CB 0.386 32.846 32.500 -0.067 0.000 0.722 141 K HN 0.514 nan 8.250 nan 0.000 0.446 142 E N 0.852 120.973 120.200 -0.131 0.000 2.107 142 E HA -0.137 4.212 4.350 -0.002 0.000 0.191 142 E C 1.797 178.231 176.600 -0.278 0.000 0.982 142 E CA 0.907 57.214 56.400 -0.156 0.000 0.809 142 E CB 0.097 29.721 29.700 -0.128 0.000 0.756 142 E HN 0.256 nan 8.360 nan 0.000 0.459 143 K N 0.274 120.414 120.400 -0.434 0.000 2.097 143 K HA -0.103 4.216 4.320 -0.002 0.000 0.205 143 K C 1.932 177.803 176.600 -1.216 0.000 1.050 143 K CA 0.868 56.613 56.287 -0.903 0.000 0.938 143 K CB -0.200 31.648 32.500 -1.087 0.000 0.718 143 K HN 0.052 nan 8.250 nan 0.000 0.442 144 F N 2.394 121.839 119.950 -0.843 0.000 2.095 144 F HA -0.251 4.275 4.527 -0.002 0.000 0.298 144 F C 2.103 177.756 175.800 -0.244 0.000 1.104 144 F CA 1.612 59.334 58.000 -0.463 0.000 1.232 144 F CB 0.125 38.980 39.000 -0.242 0.000 0.987 144 F HN -0.069 nan 8.300 nan 0.000 0.475 145 K N -0.049 120.352 120.400 0.002 0.000 2.057 145 K HA -0.178 4.141 4.320 -0.002 0.000 0.206 145 K C 1.845 178.415 176.600 -0.050 0.000 1.050 145 K CA 1.743 58.034 56.287 0.006 0.000 0.935 145 K CB -0.342 32.139 32.500 -0.030 0.000 0.715 145 K HN 0.346 nan 8.250 nan 0.000 0.439 146 E N -0.015 120.079 120.200 -0.177 0.000 2.085 146 E HA -0.197 4.152 4.350 -0.002 0.000 0.194 146 E C 1.852 178.442 176.600 -0.017 0.000 0.994 146 E CA 1.081 57.393 56.400 -0.147 0.000 0.801 146 E CB -0.089 29.462 29.700 -0.247 0.000 0.743 146 E HN 0.425 nan 8.360 nan 0.000 0.453 147 W N 0.899 122.127 121.300 -0.120 0.000 2.388 147 W HA -0.005 4.654 4.660 -0.002 0.000 0.294 147 W C 2.513 178.951 176.519 -0.135 0.000 1.212 147 W CA 0.417 57.652 57.345 -0.183 0.000 1.271 147 W CB -1.122 28.165 29.460 -0.288 0.000 1.126 147 W HN 0.004 nan 8.180 nan 0.000 0.535 148 S N 0.485 116.279 115.700 0.157 0.000 2.359 148 S HA -0.178 4.292 4.470 -0.002 0.000 0.224 148 S C 1.392 176.035 174.600 0.072 0.000 1.035 148 S CA 1.816 60.090 58.200 0.123 0.000 1.018 148 S CB -0.458 62.830 63.200 0.147 0.000 0.876 148 S HN 0.181 nan 8.310 nan 0.000 0.448 149 D N 1.637 122.066 120.400 0.048 0.000 2.084 149 D HA -0.095 4.544 4.640 -0.002 0.000 0.194 149 D C 2.103 178.423 176.300 0.033 0.000 0.990 149 D CA 1.220 55.237 54.000 0.028 0.000 0.826 149 D CB -0.571 40.222 40.800 -0.011 0.000 0.971 149 D HN 0.443 nan 8.370 nan 0.000 0.453 150 L N -0.405 120.824 121.223 0.010 0.000 2.046 150 L HA -0.082 4.257 4.340 -0.002 0.000 0.208 150 L C 2.233 179.102 176.870 -0.002 0.000 1.077 150 L CA 1.253 56.091 54.840 -0.003 0.000 0.747 150 L CB -1.101 40.939 42.059 -0.032 0.000 0.896 150 L HN -0.160 nan 8.230 nan 0.000 0.432 151 V N 0.900 120.779 119.914 -0.059 0.000 2.307 151 V HA -0.235 3.884 4.120 -0.002 0.000 0.245 151 V C 3.082 179.167 176.094 -0.014 0.000 1.045 151 V CA 1.784 64.033 62.300 -0.085 0.000 1.024 151 V CB -1.324 30.443 31.823 -0.093 0.000 0.651 151 V HN 0.658 nan 8.190 nan 0.000 0.449 152 A N -0.456 122.380 122.820 0.026 0.000 1.908 152 A HA -0.261 4.058 4.320 -0.002 0.000 0.218 152 A C 2.112 179.713 177.584 0.028 0.000 1.181 152 A CA 2.106 54.161 52.037 0.031 0.000 0.627 152 A CB -0.750 18.281 19.000 0.052 0.000 0.818 152 A HN 0.514 nan 8.150 nan 0.000 0.445 153 F N 0.690 120.581 119.950 -0.098 0.000 2.069 153 F HA -0.211 4.315 4.527 -0.002 0.000 0.298 153 F C 2.438 178.125 175.800 -0.188 0.000 1.113 153 F CA 2.166 60.083 58.000 -0.139 0.000 1.214 153 F CB -0.326 38.575 39.000 -0.164 0.000 0.978 153 F HN 0.131 nan 8.300 nan 0.000 0.474 154 R N 0.101 120.512 120.500 -0.148 0.000 2.081 154 R HA -0.137 4.202 4.340 -0.002 0.000 0.235 154 R C 2.319 178.495 176.300 -0.206 0.000 1.131 154 R CA 1.765 57.715 56.100 -0.250 0.000 0.960 154 R CB -0.719 29.537 30.300 -0.074 0.000 0.856 154 R HN 0.365 nan 8.270 nan 0.000 0.436 155 L N -0.299 120.847 121.223 -0.128 0.000 2.187 155 L HA -0.114 4.225 4.340 -0.002 0.000 0.213 155 L C 2.306 179.097 176.870 -0.133 0.000 1.100 155 L CA 1.251 56.032 54.840 -0.100 0.000 0.765 155 L CB -0.562 41.465 42.059 -0.053 0.000 0.904 155 L HN 0.404 nan 8.230 nan 0.000 0.437 156 G N -0.356 108.329 108.800 -0.192 0.000 2.650 156 G HA2 -0.092 3.867 3.960 -0.002 0.000 0.214 156 G HA3 -0.092 3.867 3.960 -0.002 0.000 0.214 156 G C 0.841 175.594 174.900 -0.246 0.000 1.136 156 G CA 0.016 44.992 45.100 -0.208 0.000 0.789 156 G HN 0.272 nan 8.290 nan 0.000 0.536 157 K N 1.244 121.475 120.400 -0.282 0.000 2.877 157 K HA 0.256 4.575 4.320 -0.002 0.000 0.176 157 K C -2.897 173.627 176.600 -0.127 0.000 1.075 157 K CA -1.559 54.591 56.287 -0.228 0.000 0.939 157 K CB 1.983 34.293 32.500 -0.316 0.000 1.237 157 K HN 0.030 nan 8.250 nan 0.000 0.607 158 P HA 0.041 nan 4.420 nan 0.000 0.271 158 P C 0.825 178.106 177.300 -0.031 0.000 1.220 158 P CA 0.633 63.703 63.100 -0.050 0.000 0.768 158 P CB 1.084 32.766 31.700 -0.029 0.000 0.848 159 G N 2.060 110.860 108.800 -0.000 0.000 2.241 159 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.244 159 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.244 159 G C -0.090 174.821 174.900 0.018 0.000 0.998 159 G CA -0.349 44.758 45.100 0.011 0.000 0.621 159 G HN 0.577 nan 8.290 nan 0.000 0.519 160 E N 0.918 121.153 120.200 0.058 0.000 2.152 160 E HA 0.466 4.815 4.350 -0.002 0.000 0.285 160 E C 0.549 177.285 176.600 0.228 0.000 1.043 160 E CA -0.556 55.921 56.400 0.128 0.000 0.839 160 E CB 1.104 30.964 29.700 0.266 0.000 1.069 160 E HN 0.450 nan 8.360 nan 0.000 0.399 161 I N 3.571 124.152 120.570 0.019 0.000 2.618 161 I HA 0.013 4.182 4.170 -0.002 0.000 0.284 161 I C -0.330 175.675 176.117 -0.188 0.000 1.146 161 I CA 0.648 61.943 61.300 -0.009 0.000 1.425 161 I CB 0.007 37.965 38.000 -0.070 0.000 1.383 161 I HN 0.382 nan 8.210 nan 0.000 0.562 162 F N 4.415 124.385 119.950 0.033 0.000 2.617 162 F HA 0.216 4.741 4.527 -0.002 0.000 0.325 162 F C 0.196 176.021 175.800 0.042 0.000 1.179 162 F CA -0.946 57.092 58.000 0.064 0.000 0.965 162 F CB 1.362 40.438 39.000 0.125 0.000 1.232 162 F HN 0.471 nan 8.300 nan 0.000 0.461 163 E N 2.612 122.896 120.200 0.140 0.000 2.415 163 E HA 0.171 4.520 4.350 -0.002 0.000 0.262 163 E C -0.666 175.988 176.600 0.091 0.000 1.038 163 E CA -0.731 55.715 56.400 0.077 0.000 0.921 163 E CB 0.956 30.681 29.700 0.042 0.000 0.950 163 E HN 0.352 nan 8.360 nan 0.000 0.438 164 L N 3.370 124.593 121.223 -0.001 0.000 2.638 164 L HA 0.133 4.472 4.340 -0.002 0.000 0.273 164 L C 0.861 177.769 176.870 0.063 0.000 1.147 164 L CA 1.034 55.841 54.840 -0.054 0.000 0.941 164 L CB -0.029 41.931 42.059 -0.165 0.000 1.251 164 L HN 0.758 nan 8.230 nan 0.000 0.479 165 G N 2.936 111.827 108.800 0.152 0.000 2.588 165 G HA2 0.135 4.094 3.960 -0.002 0.000 0.278 165 G HA3 0.135 4.094 3.960 -0.002 0.000 0.278 165 G C 0.885 175.875 174.900 0.150 0.000 1.307 165 G CA -0.357 44.830 45.100 0.145 0.000 1.016 165 G HN 0.678 nan 8.290 nan 0.000 0.503 166 K N -0.393 120.084 120.400 0.129 0.000 2.026 166 K HA -0.096 4.223 4.320 -0.002 0.000 0.208 166 K C 2.448 179.158 176.600 0.184 0.000 1.048 166 K CA 1.483 57.848 56.287 0.131 0.000 0.929 166 K CB -0.208 32.354 32.500 0.102 0.000 0.713 166 K HN 0.428 nan 8.250 nan 0.000 0.439 167 K N -0.482 120.040 120.400 0.203 0.000 2.032 167 K HA -0.211 4.108 4.320 -0.002 0.000 0.209 167 K C 2.211 179.014 176.600 0.338 0.000 1.048 167 K CA 1.690 58.154 56.287 0.296 0.000 0.927 167 K CB -0.354 32.286 32.500 0.235 0.000 0.712 167 K HN 0.179 nan 8.250 nan 0.000 0.441 168 Y N 1.618 121.982 120.300 0.107 0.000 2.224 168 Y HA -0.126 4.422 4.550 -0.002 0.000 0.289 168 Y C 1.805 177.674 175.900 -0.052 0.000 1.146 168 Y CA 0.994 59.090 58.100 -0.007 0.000 1.182 168 Y CB -0.272 38.199 38.460 0.019 0.000 0.983 168 Y HN -0.028 nan 8.280 nan 0.000 0.524 169 L N -0.530 120.831 121.223 0.230 0.000 2.046 169 L HA -0.219 4.120 4.340 -0.002 0.000 0.208 169 L C 2.340 179.275 176.870 0.108 0.000 1.077 169 L CA 1.630 56.547 54.840 0.129 0.000 0.747 169 L CB -0.478 41.646 42.059 0.109 0.000 0.896 169 L HN 0.173 nan 8.230 nan 0.000 0.432 170 E N -0.001 120.298 120.200 0.165 0.000 2.110 170 E HA -0.238 4.111 4.350 -0.002 0.000 0.193 170 E C 2.290 178.880 176.600 -0.015 0.000 0.988 170 E CA 0.863 57.396 56.400 0.223 0.000 0.804 170 E CB -0.045 29.918 29.700 0.438 0.000 0.745 170 E HN 0.406 nan 8.360 nan 0.000 0.458 171 L N 0.983 121.923 121.223 -0.472 0.000 2.017 171 L HA -0.216 4.123 4.340 -0.002 0.000 0.208 171 L C 2.267 178.836 176.870 -0.500 0.000 1.073 171 L CA 1.374 55.406 54.840 -1.347 0.000 0.745 171 L CB -0.193 41.045 42.059 -1.368 0.000 0.894 171 L HN 0.211 nan 8.230 nan 0.000 0.432 172 I N -0.420 120.049 120.570 -0.167 0.000 2.226 172 I HA -0.220 3.949 4.170 -0.002 0.000 0.245 172 I C 2.590 178.688 176.117 -0.033 0.000 1.100 172 I CA 1.258 62.528 61.300 -0.049 0.000 1.374 172 I CB -0.908 37.102 38.000 0.017 0.000 1.057 172 I HN 0.351 nan 8.210 nan 0.000 0.413 173 G N 0.200 109.003 108.800 0.006 0.000 2.421 173 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.216 173 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.216 173 G C 1.622 176.572 174.900 0.084 0.000 1.171 173 G CA 0.824 45.954 45.100 0.050 0.000 0.775 173 G HN 0.394 nan 8.290 nan 0.000 0.543 174 Y N 1.381 121.670 120.300 -0.018 0.000 2.081 174 Y HA -0.195 4.354 4.550 -0.002 0.000 0.280 174 Y C 2.794 178.763 175.900 0.114 0.000 1.163 174 Y CA 1.999 60.147 58.100 0.081 0.000 1.135 174 Y CB -0.546 37.866 38.460 -0.081 0.000 0.970 174 Y HN 0.035 nan 8.280 nan 0.000 0.498 175 V N 1.033 120.865 119.914 -0.137 0.000 2.287 175 V HA -0.337 3.782 4.120 -0.002 0.000 0.248 175 V C 2.393 178.401 176.094 -0.144 0.000 1.053 175 V CA 2.431 64.615 62.300 -0.194 0.000 1.027 175 V CB -0.688 31.089 31.823 -0.076 0.000 0.646 175 V HN 0.363 nan 8.190 nan 0.000 0.447 176 K N -0.184 120.163 120.400 -0.089 0.000 2.063 176 K HA -0.207 4.112 4.320 -0.002 0.000 0.208 176 K C 1.694 178.227 176.600 -0.111 0.000 1.048 176 K CA 1.753 57.991 56.287 -0.081 0.000 0.928 176 K CB -0.279 32.187 32.500 -0.058 0.000 0.713 176 K HN 0.480 nan 8.250 nan 0.000 0.442 177 D N -0.658 119.666 120.400 -0.126 0.000 2.355 177 D HA -0.037 4.602 4.640 -0.002 0.000 0.218 177 D C 0.596 176.588 176.300 -0.513 0.000 1.004 177 D CA 0.974 54.823 54.000 -0.251 0.000 0.880 177 D CB 0.173 40.845 40.800 -0.214 0.000 0.911 177 D HN 0.355 nan 8.370 nan 0.000 0.528 178 H N -0.996 117.921 119.070 -0.255 0.000 3.078 178 H HA 0.177 4.732 4.556 -0.002 0.000 0.263 178 H C 1.461 176.686 175.328 -0.171 0.000 1.177 178 H CA -0.266 55.639 56.048 -0.238 0.000 1.128 178 H CB 0.600 30.120 29.762 -0.404 0.000 1.623 178 H HN -0.121 nan 8.280 nan 0.000 0.592 179 L N 0.878 122.053 121.223 -0.080 0.000 2.127 179 L HA -0.180 4.159 4.340 -0.002 0.000 0.211 179 L C 1.575 178.417 176.870 -0.048 0.000 1.089 179 L CA 1.322 56.126 54.840 -0.061 0.000 0.757 179 L CB -0.853 41.164 42.059 -0.069 0.000 0.899 179 L HN 0.454 nan 8.230 nan 0.000 0.434 180 N N -0.136 118.530 118.700 -0.057 0.000 2.104 180 N HA -0.167 4.572 4.740 -0.002 0.000 0.190 180 N C 1.895 177.391 175.510 -0.024 0.000 1.024 180 N CA 1.662 54.685 53.050 -0.045 0.000 0.853 180 N CB -0.332 38.121 38.487 -0.056 0.000 1.008 180 N HN 0.489 nan 8.380 nan 0.000 0.424 181 S N -0.035 115.662 115.700 -0.005 0.000 2.561 181 S HA 0.097 4.566 4.470 -0.002 0.000 0.225 181 S C 1.259 175.869 174.600 0.018 0.000 0.977 181 S CA 0.010 58.222 58.200 0.020 0.000 0.926 181 S CB -0.595 62.644 63.200 0.065 0.000 0.769 181 S HN 0.308 nan 8.310 nan 0.000 0.533 182 G N 0.993 109.796 108.800 0.005 0.000 2.720 182 G HA2 0.344 4.303 3.960 -0.002 0.000 0.237 182 G HA3 0.344 4.303 3.960 -0.002 0.000 0.237 182 G C -0.035 174.860 174.900 -0.008 0.000 1.239 182 G CA 0.274 45.375 45.100 0.001 0.000 0.847 182 G HN 0.364 nan 8.290 nan 0.000 0.593 183 T N -1.726 112.822 114.554 -0.010 0.000 2.888 183 T HA 0.195 4.544 4.350 -0.002 0.000 0.283 183 T C 1.531 176.209 174.700 -0.037 0.000 1.013 183 T CA 0.404 62.492 62.100 -0.020 0.000 0.938 183 T CB 0.962 69.822 68.868 -0.014 0.000 1.298 183 T HN 0.711 nan 8.240 nan 0.000 0.580 184 E N -0.353 119.823 120.200 -0.040 0.000 2.072 184 E HA -0.208 4.141 4.350 -0.002 0.000 0.218 184 E C 2.018 178.574 176.600 -0.073 0.000 1.051 184 E CA 2.641 59.010 56.400 -0.052 0.000 0.880 184 E CB -0.506 29.165 29.700 -0.048 0.000 0.783 184 E HN 0.473 nan 8.360 nan 0.000 0.473 185 V N 0.652 120.516 119.914 -0.085 0.000 2.282 185 V HA -0.282 3.837 4.120 -0.002 0.000 0.249 185 V C 2.569 178.576 176.094 -0.144 0.000 1.057 185 V CA 1.812 64.040 62.300 -0.121 0.000 1.032 185 V CB -0.568 31.176 31.823 -0.132 0.000 0.645 185 V HN 0.244 nan 8.190 nan 0.000 0.447 186 V N -0.143 119.708 119.914 -0.105 0.000 2.407 186 V HA -0.245 3.874 4.120 -0.002 0.000 0.248 186 V C 2.534 178.560 176.094 -0.112 0.000 1.055 186 V CA 2.316 64.552 62.300 -0.107 0.000 1.049 186 V CB -0.723 31.068 31.823 -0.054 0.000 0.662 186 V HN 0.563 nan 8.190 nan 0.000 0.455 187 S N -0.873 114.774 115.700 -0.089 0.000 2.383 187 S HA -0.176 4.293 4.470 -0.002 0.000 0.227 187 S C 2.115 176.658 174.600 -0.094 0.000 1.026 187 S CA 1.314 59.467 58.200 -0.079 0.000 0.981 187 S CB -0.323 62.841 63.200 -0.060 0.000 0.818 187 S HN 0.498 nan 8.310 nan 0.000 0.472 188 R N 0.699 121.132 120.500 -0.112 0.000 2.081 188 R HA -0.064 4.275 4.340 -0.002 0.000 0.235 188 R C 2.073 178.283 176.300 -0.151 0.000 1.131 188 R CA 1.254 57.284 56.100 -0.118 0.000 0.960 188 R CB -0.346 29.881 30.300 -0.123 0.000 0.856 188 R HN 0.258 nan 8.270 nan 0.000 0.436 189 V N -0.025 119.754 119.914 -0.226 0.000 2.307 189 V HA -0.196 3.923 4.120 -0.002 0.000 0.245 189 V C 2.277 178.277 176.094 -0.157 0.000 1.045 189 V CA 1.449 63.580 62.300 -0.282 0.000 1.024 189 V CB -0.174 31.358 31.823 -0.485 0.000 0.651 189 V HN 0.165 nan 8.190 nan 0.000 0.449 190 V N 0.822 120.660 119.914 -0.127 0.000 2.490 190 V HA -0.166 3.953 4.120 -0.002 0.000 0.250 190 V C 1.526 177.579 176.094 -0.069 0.000 1.061 190 V CA 1.713 63.962 62.300 -0.085 0.000 1.064 190 V CB -0.667 31.111 31.823 -0.075 0.000 0.670 190 V HN 0.634 nan 8.190 nan 0.000 0.461 191 N N 0.426 119.084 118.700 -0.071 0.000 2.327 191 N HA 0.092 4.831 4.740 -0.002 0.000 0.231 191 N C 0.534 176.014 175.510 -0.051 0.000 1.130 191 N CA 0.285 53.302 53.050 -0.055 0.000 0.845 191 N CB 0.423 38.879 38.487 -0.052 0.000 1.073 191 N HN 0.626 nan 8.380 nan 0.000 0.496 192 S N 0.572 116.240 115.700 -0.053 0.000 2.745 192 S HA 0.236 4.705 4.470 -0.002 0.000 0.292 192 S C 1.008 175.593 174.600 -0.026 0.000 1.127 192 S CA -0.768 57.408 58.200 -0.039 0.000 1.007 192 S CB 0.900 64.076 63.200 -0.040 0.000 1.165 192 S HN 0.272 nan 8.310 nan 0.000 0.544 193 N N -0.229 118.461 118.700 -0.016 0.000 2.370 193 N HA 0.070 4.809 4.740 -0.002 0.000 0.198 193 N C -0.456 175.052 175.510 -0.004 0.000 1.156 193 N CA -0.127 52.916 53.050 -0.012 0.000 0.839 193 N CB -0.692 37.787 38.487 -0.012 0.000 0.989 193 N HN 0.371 nan 8.380 nan 0.000 0.468 194 L N 1.753 122.980 121.223 0.007 0.000 2.436 194 L HA 0.151 4.490 4.340 -0.002 0.000 0.265 194 L C 1.069 177.940 176.870 0.002 0.000 1.168 194 L CA -0.217 54.639 54.840 0.027 0.000 0.815 194 L CB 1.003 43.103 42.059 0.069 0.000 1.109 194 L HN 0.176 nan 8.230 nan 0.000 0.462 195 S N 0.113 115.810 115.700 -0.006 0.000 2.600 195 S HA 0.107 4.576 4.470 -0.002 0.000 0.265 195 S C 0.640 175.219 174.600 -0.034 0.000 1.325 195 S CA -0.574 57.605 58.200 -0.036 0.000 1.002 195 S CB 0.566 63.726 63.200 -0.066 0.000 0.921 195 S HN 0.587 nan 8.310 nan 0.000 0.554 196 D N 0.806 121.174 120.400 -0.053 0.000 2.092 196 D HA -0.101 4.538 4.640 -0.002 0.000 0.193 196 D C 1.934 178.208 176.300 -0.043 0.000 0.994 196 D CA 1.122 55.089 54.000 -0.055 0.000 0.828 196 D CB -0.326 40.425 40.800 -0.081 0.000 0.963 196 D HN 0.463 nan 8.370 nan 0.000 0.450 197 I N 1.204 121.738 120.570 -0.060 0.000 2.185 197 I HA -0.255 3.914 4.170 -0.002 0.000 0.246 197 I C 2.148 178.280 176.117 0.026 0.000 1.088 197 I CA 1.391 62.674 61.300 -0.028 0.000 1.347 197 I CB -1.004 36.965 38.000 -0.051 0.000 1.041 197 I HN 0.181 nan 8.210 nan 0.000 0.415 198 E N 0.596 120.802 120.200 0.012 0.000 2.047 198 E HA -0.206 4.143 4.350 -0.002 0.000 0.191 198 E C 2.192 178.867 176.600 0.125 0.000 0.987 198 E CA 1.086 57.529 56.400 0.071 0.000 0.799 198 E CB -0.047 29.713 29.700 0.100 0.000 0.752 198 E HN 0.474 nan 8.360 nan 0.000 0.449 199 K N 0.322 120.769 120.400 0.078 0.000 2.063 199 K HA -0.183 4.136 4.320 -0.002 0.000 0.208 199 K C 2.048 178.688 176.600 0.068 0.000 1.048 199 K CA 1.042 57.366 56.287 0.061 0.000 0.928 199 K CB -0.122 32.376 32.500 -0.004 0.000 0.713 199 K HN 0.003 nan 8.250 nan 0.000 0.442 200 L N 0.260 121.509 121.223 0.044 0.000 2.046 200 L HA -0.098 4.241 4.340 -0.002 0.000 0.208 200 L C 2.479 179.397 176.870 0.080 0.000 1.077 200 L CA 1.950 56.815 54.840 0.041 0.000 0.747 200 L CB -1.157 40.913 42.059 0.018 0.000 0.896 200 L HN 0.292 nan 8.230 nan 0.000 0.432 201 G N -2.066 106.793 108.800 0.098 0.000 2.418 201 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.217 201 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.217 201 G C 1.756 176.739 174.900 0.138 0.000 1.158 201 G CA 0.707 45.864 45.100 0.095 0.000 0.771 201 G HN 0.427 nan 8.290 nan 0.000 0.545 202 Y N 0.456 120.776 120.300 0.034 0.000 2.181 202 Y HA -0.115 4.434 4.550 -0.002 0.000 0.288 202 Y C 2.670 178.592 175.900 0.038 0.000 1.146 202 Y CA 0.518 58.644 58.100 0.043 0.000 1.164 202 Y CB 0.156 38.640 38.460 0.039 0.000 0.982 202 Y HN 0.068 nan 8.280 nan 0.000 0.515 203 I N -0.052 120.661 120.570 0.240 0.000 2.286 203 I HA -0.285 3.884 4.170 -0.002 0.000 0.245 203 I C 2.182 178.377 176.117 0.129 0.000 1.104 203 I CA 1.002 62.385 61.300 0.137 0.000 1.397 203 I CB -1.062 36.970 38.000 0.053 0.000 1.072 203 I HN 0.313 nan 8.210 nan 0.000 0.417 204 I N 0.508 121.135 120.570 0.096 0.000 2.208 204 I HA -0.272 3.897 4.170 -0.002 0.000 0.245 204 I C 2.654 178.819 176.117 0.079 0.000 1.097 204 I CA 1.301 62.631 61.300 0.049 0.000 1.363 204 I CB -1.270 36.735 38.000 0.008 0.000 1.051 204 I HN 0.197 nan 8.210 nan 0.000 0.413 205 L N 0.635 121.921 121.223 0.104 0.000 2.012 205 L HA -0.181 4.158 4.340 -0.002 0.000 0.210 205 L C 2.475 179.439 176.870 0.156 0.000 1.073 205 L CA 1.796 56.699 54.840 0.106 0.000 0.748 205 L CB -0.519 41.586 42.059 0.077 0.000 0.891 205 L HN 0.108 nan 8.230 nan 0.000 0.431 206 L N -1.488 119.859 121.223 0.206 0.000 2.056 206 L HA -0.218 4.121 4.340 -0.002 0.000 0.207 206 L C 2.482 179.494 176.870 0.237 0.000 1.078 206 L CA 1.293 56.278 54.840 0.240 0.000 0.749 206 L CB -0.544 41.658 42.059 0.238 0.000 0.901 206 L HN 0.343 nan 8.230 nan 0.000 0.433 207 L N -0.617 120.730 121.223 0.207 0.000 2.131 207 L HA -0.092 4.247 4.340 -0.002 0.000 0.206 207 L C 2.091 179.113 176.870 0.253 0.000 1.087 207 L CA 1.380 56.362 54.840 0.238 0.000 0.767 207 L CB 0.247 42.435 42.059 0.216 0.000 0.917 207 L HN 0.211 nan 8.230 nan 0.000 0.441 208 I N -1.637 119.039 120.570 0.175 0.000 4.244 208 I HA 0.074 4.243 4.170 -0.002 0.000 0.318 208 I C 2.409 178.607 176.117 0.135 0.000 1.282 208 I CA 0.605 62.005 61.300 0.166 0.000 1.276 208 I CB 0.041 38.087 38.000 0.076 0.000 1.183 208 I HN 0.077 nan 8.210 nan 0.000 0.431 209 A N 1.071 123.958 122.820 0.112 0.000 1.978 209 A HA -0.103 4.216 4.320 -0.002 0.000 0.220 209 A C 2.191 179.841 177.584 0.109 0.000 1.170 209 A CA 1.994 54.087 52.037 0.094 0.000 0.636 209 A CB -1.052 17.999 19.000 0.086 0.000 0.810 209 A HN 0.450 nan 8.150 nan 0.000 0.448 210 G N -0.950 107.929 108.800 0.132 0.000 2.880 210 G HA2 -0.039 3.920 3.960 -0.002 0.000 0.209 210 G HA3 -0.039 3.920 3.960 -0.002 0.000 0.209 210 G C 1.125 176.090 174.900 0.108 0.000 1.157 210 G CA 0.495 45.668 45.100 0.122 0.000 0.779 210 G HN 0.484 nan 8.290 nan 0.000 0.539 211 N N 1.280 120.052 118.700 0.121 0.000 2.039 211 N HA -0.116 4.623 4.740 -0.002 0.000 0.193 211 N C 1.918 177.478 175.510 0.083 0.000 1.044 211 N CA 1.320 54.436 53.050 0.109 0.000 0.847 211 N CB -0.426 38.152 38.487 0.151 0.000 1.030 211 N HN 0.524 nan 8.380 nan 0.000 0.422 212 E N 0.381 120.630 120.200 0.081 0.000 2.110 212 E HA -0.148 4.201 4.350 -0.002 0.000 0.193 212 E C 1.627 178.262 176.600 0.058 0.000 0.988 212 E CA 1.682 58.119 56.400 0.063 0.000 0.804 212 E CB 0.051 29.786 29.700 0.058 0.000 0.745 212 E HN 0.531 nan 8.360 nan 0.000 0.458 213 T N -2.094 112.499 114.554 0.065 0.000 2.737 213 T HA -0.106 4.243 4.350 -0.002 0.000 0.265 213 T C 2.021 176.760 174.700 0.065 0.000 1.038 213 T CA 1.622 63.760 62.100 0.063 0.000 1.144 213 T CB -0.772 68.144 68.868 0.079 0.000 0.866 213 T HN 0.009 nan 8.240 nan 0.000 0.434 214 T N 1.857 116.457 114.554 0.076 0.000 2.788 214 T HA -0.082 4.267 4.350 -0.002 0.000 0.268 214 T C 2.223 176.952 174.700 0.047 0.000 1.044 214 T CA 1.738 63.880 62.100 0.071 0.000 1.139 214 T CB -0.923 67.983 68.868 0.064 0.000 0.867 214 T HN 0.486 nan 8.240 nan 0.000 0.454 215 T N 2.448 117.028 114.554 0.042 0.000 2.746 215 T HA -0.113 4.236 4.350 -0.002 0.000 0.267 215 T C 2.058 176.776 174.700 0.030 0.000 1.039 215 T CA 1.065 63.183 62.100 0.029 0.000 1.142 215 T CB -0.362 68.524 68.868 0.031 0.000 0.866 215 T HN 0.311 nan 8.240 nan 0.000 0.444 216 N N 1.196 119.921 118.700 0.042 0.000 2.120 216 N HA -0.026 4.713 4.740 -0.002 0.000 0.188 216 N C 1.728 177.260 175.510 0.035 0.000 1.024 216 N CA 0.583 53.666 53.050 0.054 0.000 0.852 216 N CB -0.666 37.850 38.487 0.049 0.000 1.003 216 N HN 0.235 nan 8.380 nan 0.000 0.424 217 L N 1.259 122.495 121.223 0.022 0.000 2.042 217 L HA -0.036 4.303 4.340 -0.002 0.000 0.210 217 L C 1.888 178.743 176.870 -0.025 0.000 1.076 217 L CA 1.357 56.199 54.840 0.002 0.000 0.749 217 L CB -0.583 41.493 42.059 0.028 0.000 0.893 217 L HN 0.100 nan 8.230 nan 0.000 0.432 218 I N -1.100 119.461 120.570 -0.016 0.000 2.179 218 I HA -0.293 3.876 4.170 -0.002 0.000 0.242 218 I C 2.380 178.436 176.117 -0.102 0.000 1.088 218 I CA 1.439 62.711 61.300 -0.047 0.000 1.357 218 I CB -0.484 37.499 38.000 -0.029 0.000 1.051 218 I HN 0.229 nan 8.210 nan 0.000 0.409 219 S N 0.951 116.610 115.700 -0.068 0.000 2.356 219 S HA -0.148 4.321 4.470 -0.002 0.000 0.223 219 S C 1.744 176.260 174.600 -0.140 0.000 1.032 219 S CA 1.415 59.555 58.200 -0.099 0.000 1.005 219 S CB -0.427 62.788 63.200 0.024 0.000 0.867 219 S HN 0.431 nan 8.310 nan 0.000 0.449 220 N N 1.604 120.282 118.700 -0.037 0.000 2.223 220 N HA -0.005 4.735 4.740 -0.002 0.000 0.185 220 N C 1.788 177.163 175.510 -0.224 0.000 1.016 220 N CA 1.027 54.056 53.050 -0.035 0.000 0.863 220 N CB -0.603 37.913 38.487 0.048 0.000 0.983 220 N HN 0.252 nan 8.380 nan 0.000 0.429 221 S N 0.176 115.675 115.700 -0.334 0.000 2.355 221 S HA -0.037 4.432 4.470 -0.002 0.000 0.222 221 S C 2.232 176.255 174.600 -0.961 0.000 1.031 221 S CA 0.660 58.396 58.200 -0.774 0.000 0.993 221 S CB -0.293 62.522 63.200 -0.641 0.000 0.859 221 S HN 0.076 nan 8.310 nan 0.000 0.453 222 V N 2.689 122.332 119.914 -0.452 0.000 2.287 222 V HA -0.185 3.934 4.120 -0.002 0.000 0.248 222 V C 2.233 178.231 176.094 -0.161 0.000 1.053 222 V CA 1.389 63.606 62.300 -0.139 0.000 1.027 222 V CB -0.648 31.096 31.823 -0.131 0.000 0.646 222 V HN 0.417 nan 8.190 nan 0.000 0.447 223 I N 0.181 120.574 120.570 -0.296 0.000 2.127 223 I HA -0.217 3.952 4.170 -0.002 0.000 0.241 223 I C 2.338 178.256 176.117 -0.330 0.000 1.075 223 I CA 1.857 62.973 61.300 -0.307 0.000 1.334 223 I CB -1.332 36.442 38.000 -0.378 0.000 1.040 223 I HN 0.360 nan 8.210 nan 0.000 0.405 224 D N 0.736 120.898 120.400 -0.397 0.000 2.084 224 D HA -0.165 4.474 4.640 -0.002 0.000 0.194 224 D C 2.359 178.394 176.300 -0.441 0.000 0.990 224 D CA 1.240 54.935 54.000 -0.508 0.000 0.826 224 D CB -0.529 39.974 40.800 -0.495 0.000 0.971 224 D HN 0.335 nan 8.370 nan 0.000 0.453 225 F N 0.996 120.615 119.950 -0.552 0.000 2.192 225 F HA -0.199 4.327 4.527 -0.001 0.000 0.301 225 F C 2.529 178.050 175.800 -0.466 0.000 1.079 225 F CA 0.837 58.412 58.000 -0.707 0.000 1.303 225 F CB -0.283 37.908 39.000 -1.348 0.000 1.024 225 F HN -0.023 nan 8.300 nan 0.000 0.494 226 T N -0.334 114.237 114.554 0.028 0.000 2.809 226 T HA -0.091 4.258 4.350 -0.002 0.000 0.260 226 T C 1.774 176.432 174.700 -0.071 0.000 1.039 226 T CA 0.824 63.036 62.100 0.186 0.000 1.141 226 T CB -0.248 68.745 68.868 0.209 0.000 0.869 226 T HN 0.184 nan 8.240 nan 0.000 0.437 227 R N 0.693 121.008 120.500 -0.308 0.000 2.103 227 R HA -0.029 4.310 4.340 -0.002 0.000 0.242 227 R C 1.588 177.597 176.300 -0.485 0.000 1.142 227 R CA 1.505 57.295 56.100 -0.516 0.000 0.960 227 R CB -0.487 29.216 30.300 -0.995 0.000 0.858 227 R HN 0.422 nan 8.270 nan 0.000 0.439 228 F N 0.229 120.090 119.950 -0.148 0.000 2.693 228 F HA 0.183 4.710 4.527 -0.002 0.000 0.303 228 F C 0.316 176.059 175.800 -0.095 0.000 1.097 228 F CA -0.704 57.206 58.000 -0.150 0.000 1.330 228 F CB -0.006 38.827 39.000 -0.278 0.000 1.067 228 F HN -0.011 nan 8.300 nan 0.000 0.565 229 N N 1.784 120.521 118.700 0.062 0.000 2.669 229 N HA -0.224 4.515 4.740 -0.002 0.000 0.266 229 N C -0.144 175.396 175.510 0.050 0.000 1.024 229 N CA 0.385 53.486 53.050 0.085 0.000 0.766 229 N CB -1.076 37.458 38.487 0.077 0.000 0.898 229 N HN 0.482 nan 8.380 nan 0.000 0.548 230 L N -1.041 120.161 121.223 -0.035 0.000 2.731 230 L HA 0.241 4.580 4.340 -0.002 0.000 0.240 230 L C 1.610 178.358 176.870 -0.205 0.000 1.120 230 L CA -0.387 54.366 54.840 -0.146 0.000 0.913 230 L CB -0.189 41.724 42.059 -0.244 0.000 1.213 230 L HN 0.314 nan 8.230 nan 0.000 0.515 231 W N 1.202 122.454 121.300 -0.080 0.000 2.317 231 W HA -0.261 4.398 4.660 -0.002 0.000 0.318 231 W C 2.584 179.052 176.519 -0.085 0.000 1.227 231 W CA 1.156 58.460 57.345 -0.068 0.000 1.269 231 W CB -0.315 29.161 29.460 0.026 0.000 1.155 231 W HN 0.151 nan 8.180 nan 0.000 0.484 232 Q N -0.164 119.744 119.800 0.179 0.000 2.061 232 Q HA -0.214 4.125 4.340 -0.002 0.000 0.204 232 Q C 2.123 178.127 176.000 0.006 0.000 0.984 232 Q CA 2.007 57.861 55.803 0.086 0.000 0.846 232 Q CB -0.714 28.066 28.738 0.069 0.000 0.902 232 Q HN 0.305 nan 8.270 nan 0.000 0.421 233 R N 0.034 120.511 120.500 -0.039 0.000 2.092 233 R HA -0.050 4.289 4.340 -0.002 0.000 0.231 233 R C 2.056 178.255 176.300 -0.168 0.000 1.119 233 R CA 0.960 57.008 56.100 -0.087 0.000 0.970 233 R CB -0.193 30.055 30.300 -0.087 0.000 0.864 233 R HN 0.282 nan 8.270 nan 0.000 0.440 234 I N 0.287 120.696 120.570 -0.268 0.000 2.179 234 I HA -0.283 3.886 4.170 -0.002 0.000 0.242 234 I C 2.614 178.428 176.117 -0.505 0.000 1.088 234 I CA 1.362 62.375 61.300 -0.478 0.000 1.357 234 I CB -0.264 37.310 38.000 -0.711 0.000 1.051 234 I HN 0.196 nan 8.210 nan 0.000 0.409 235 R N 0.447 120.793 120.500 -0.256 0.000 2.070 235 R HA -0.222 4.117 4.340 -0.002 0.000 0.233 235 R C 2.301 178.579 176.300 -0.037 0.000 1.137 235 R CA 1.884 57.944 56.100 -0.067 0.000 0.945 235 R CB -0.358 30.006 30.300 0.107 0.000 0.845 235 R HN 0.350 nan 8.270 nan 0.000 0.430 236 E N 0.874 121.052 120.200 -0.037 0.000 2.058 236 E HA -0.206 4.143 4.350 -0.002 0.000 0.194 236 E C 1.069 177.649 176.600 -0.032 0.000 0.997 236 E CA 1.560 57.948 56.400 -0.019 0.000 0.801 236 E CB 0.186 29.877 29.700 -0.016 0.000 0.746 236 E HN 0.362 nan 8.360 nan 0.000 0.450 237 E N -0.263 119.894 120.200 -0.073 0.000 2.474 237 E HA 0.030 4.379 4.350 -0.002 0.000 0.195 237 E C -0.171 176.387 176.600 -0.070 0.000 1.039 237 E CA 0.122 56.484 56.400 -0.064 0.000 0.881 237 E CB 0.140 29.796 29.700 -0.074 0.000 0.970 237 E HN 0.218 nan 8.360 nan 0.000 0.486 238 N N 0.923 119.561 118.700 -0.104 0.000 2.714 238 N HA -0.197 4.542 4.740 -0.002 0.000 0.253 238 N C -0.248 175.201 175.510 -0.103 0.000 1.024 238 N CA 0.218 53.229 53.050 -0.065 0.000 0.726 238 N CB -1.143 37.389 38.487 0.076 0.000 0.908 238 N HN 0.225 nan 8.380 nan 0.000 0.542 239 L N 0.240 121.297 121.223 -0.277 0.000 2.629 239 L HA 0.100 4.439 4.340 -0.002 0.000 0.230 239 L C 1.185 177.961 176.870 -0.157 0.000 1.151 239 L CA -0.326 54.399 54.840 -0.192 0.000 0.924 239 L CB -0.301 41.626 42.059 -0.220 0.000 1.137 239 L HN 0.312 nan 8.230 nan 0.000 0.457 240 Y N 0.029 120.325 120.300 -0.008 0.000 2.030 240 Y HA -0.383 4.166 4.550 -0.002 0.000 0.272 240 Y C 2.384 178.335 175.900 0.085 0.000 1.185 240 Y CA 1.936 60.062 58.100 0.042 0.000 1.120 240 Y CB -0.680 37.827 38.460 0.079 0.000 0.955 240 Y HN 0.132 nan 8.280 nan 0.000 0.495 241 L N 0.297 121.666 121.223 0.243 0.000 1.989 241 L HA -0.226 4.113 4.340 -0.002 0.000 0.211 241 L C 2.119 179.077 176.870 0.146 0.000 1.071 241 L CA 1.953 56.902 54.840 0.181 0.000 0.749 241 L CB -0.648 41.496 42.059 0.141 0.000 0.890 241 L HN 0.131 nan 8.230 nan 0.000 0.431 242 K N -1.071 119.384 120.400 0.092 0.000 2.097 242 K HA -0.051 4.268 4.320 -0.002 0.000 0.205 242 K C 2.033 178.663 176.600 0.049 0.000 1.050 242 K CA 1.166 57.488 56.287 0.058 0.000 0.938 242 K CB -0.336 32.171 32.500 0.010 0.000 0.718 242 K HN 0.435 nan 8.250 nan 0.000 0.442 243 A N 1.378 124.227 122.820 0.049 0.000 1.969 243 A HA -0.115 4.204 4.320 -0.002 0.000 0.218 243 A C 1.977 179.786 177.584 0.375 0.000 1.169 243 A CA 1.067 53.175 52.037 0.118 0.000 0.635 243 A CB -0.330 18.585 19.000 -0.141 0.000 0.810 243 A HN 0.089 nan 8.150 nan 0.000 0.445 244 I N 0.195 120.969 120.570 0.339 0.000 2.439 244 I HA -0.116 4.053 4.170 -0.002 0.000 0.251 244 I C 2.126 178.350 176.117 0.178 0.000 1.139 244 I CA 1.036 62.518 61.300 0.303 0.000 1.438 244 I CB -1.284 36.876 38.000 0.266 0.000 1.085 244 I HN 0.324 nan 8.210 nan 0.000 0.427 245 E N 0.543 120.841 120.200 0.164 0.000 2.107 245 E HA -0.173 4.176 4.350 -0.002 0.000 0.191 245 E C 1.997 178.594 176.600 -0.004 0.000 0.982 245 E CA 0.620 57.112 56.400 0.153 0.000 0.809 245 E CB -0.071 29.778 29.700 0.248 0.000 0.756 245 E HN 0.388 nan 8.360 nan 0.000 0.459 246 E N 0.674 120.835 120.200 -0.064 0.000 2.150 246 E HA -0.068 4.281 4.350 -0.002 0.000 0.193 246 E C 1.868 178.343 176.600 -0.209 0.000 0.985 246 E CA 0.844 57.049 56.400 -0.325 0.000 0.814 246 E CB -0.024 29.193 29.700 -0.804 0.000 0.752 246 E HN 0.184 nan 8.360 nan 0.000 0.466 247 A N 0.637 123.507 122.820 0.084 0.000 1.898 247 A HA -0.100 4.219 4.320 -0.002 0.000 0.216 247 A C 2.372 179.975 177.584 0.031 0.000 1.181 247 A CA 0.829 53.007 52.037 0.234 0.000 0.620 247 A CB -0.581 18.490 19.000 0.118 0.000 0.819 247 A HN 0.215 nan 8.150 nan 0.000 0.442 248 L N -1.003 120.133 121.223 -0.144 0.000 2.046 248 L HA -0.176 4.164 4.340 -0.002 0.000 0.208 248 L C 2.819 179.425 176.870 -0.439 0.000 1.077 248 L CA 1.802 56.415 54.840 -0.378 0.000 0.747 248 L CB -0.387 41.264 42.059 -0.679 0.000 0.896 248 L HN 0.470 nan 8.230 nan 0.000 0.432 249 R N -1.029 119.211 120.500 -0.433 0.000 2.066 249 R HA -0.216 4.123 4.340 -0.002 0.000 0.232 249 R C 2.434 178.679 176.300 -0.091 0.000 1.131 249 R CA 1.616 57.554 56.100 -0.270 0.000 0.955 249 R CB -0.378 29.783 30.300 -0.232 0.000 0.851 249 R HN 0.217 nan 8.270 nan 0.000 0.432 250 Y N 0.160 120.380 120.300 -0.134 0.000 2.314 250 Y HA 0.066 4.615 4.550 -0.002 0.000 0.293 250 Y C 0.391 176.329 175.900 0.062 0.000 1.129 250 Y CA 1.223 59.312 58.100 -0.019 0.000 1.201 250 Y CB 0.600 39.170 38.460 0.183 0.000 0.999 250 Y HN -0.044 nan 8.280 nan 0.000 0.541 251 S N 2.292 118.103 115.700 0.184 0.000 2.235 251 S HA 0.246 4.716 4.470 -0.002 0.000 0.152 251 S C -2.840 171.806 174.600 0.076 0.000 1.649 251 S CA -1.088 57.202 58.200 0.149 0.000 1.277 251 S CB 0.763 64.082 63.200 0.199 0.000 1.299 251 S HN 0.064 nan 8.310 nan 0.000 0.388 252 P HA 0.178 nan 4.420 nan 0.000 0.267 252 P C -2.410 174.894 177.300 0.007 0.000 1.209 252 P CA -0.921 62.167 63.100 -0.020 0.000 0.763 252 P CB 0.757 32.451 31.700 -0.011 0.000 0.816 253 P HA -0.106 nan 4.420 nan 0.000 0.216 253 P C 0.155 177.459 177.300 0.007 0.000 1.150 253 P CA 1.320 64.418 63.100 -0.003 0.000 0.837 253 P CB 0.200 31.891 31.700 -0.015 0.000 0.786 254 V N 0.535 120.443 119.914 -0.010 0.000 2.334 254 V HA 0.140 4.259 4.120 -0.002 0.000 0.281 254 V C 1.229 177.330 176.094 0.011 0.000 1.016 254 V CA -0.214 62.083 62.300 -0.005 0.000 0.832 254 V CB 1.212 33.027 31.823 -0.013 0.000 0.999 254 V HN -0.024 nan 8.190 nan 0.000 0.439 255 M N 3.803 123.429 119.600 0.044 0.000 2.319 255 M HA 0.092 4.571 4.480 -0.002 0.000 0.265 255 M C 0.764 177.093 176.300 0.048 0.000 1.068 255 M CA 1.250 56.628 55.300 0.130 0.000 1.118 255 M CB -0.614 32.149 32.600 0.271 0.000 1.395 255 M HN 0.838 nan 8.290 nan 0.000 0.435 256 R N -3.025 117.402 120.500 -0.121 0.000 2.741 256 R HA 0.625 4.964 4.340 -0.002 0.000 0.276 256 R C -0.643 175.515 176.300 -0.236 0.000 1.028 256 R CA -0.712 55.226 56.100 -0.271 0.000 0.865 256 R CB 0.963 30.840 30.300 -0.705 0.000 1.268 256 R HN -0.156 nan 8.270 nan 0.000 0.475 257 T N -0.658 113.756 114.554 -0.233 0.000 2.804 257 T HA 0.769 5.118 4.350 -0.002 0.000 0.290 257 T C -1.319 173.284 174.700 -0.161 0.000 1.099 257 T CA -0.606 61.394 62.100 -0.166 0.000 1.011 257 T CB 1.756 70.561 68.868 -0.106 0.000 1.291 257 T HN 0.421 nan 8.240 nan 0.000 0.523 258 V N 2.028 121.885 119.914 -0.095 0.000 2.914 258 V HA 0.834 4.953 4.120 -0.002 0.000 0.314 258 V C -0.518 175.589 176.094 0.023 0.000 1.084 258 V CA -1.031 61.252 62.300 -0.028 0.000 0.963 258 V CB 1.993 33.820 31.823 0.007 0.000 1.025 258 V HN 0.791 nan 8.190 nan 0.000 0.432 259 R N 1.568 122.121 120.500 0.088 0.000 2.781 259 R HA 0.638 4.977 4.340 -0.002 0.000 0.269 259 R C -1.320 175.048 176.300 0.113 0.000 1.025 259 R CA -0.979 55.189 56.100 0.114 0.000 0.914 259 R CB 2.644 33.039 30.300 0.158 0.000 1.236 259 R HN 0.814 nan 8.270 nan 0.000 0.465 260 K N 0.512 120.926 120.400 0.024 0.000 2.427 260 K HA 0.338 4.657 4.320 -0.002 0.000 0.252 260 K C -0.846 175.649 176.600 -0.176 0.000 0.931 260 K CA -0.406 55.776 56.287 -0.175 0.000 0.793 260 K CB 1.756 34.069 32.500 -0.313 0.000 1.211 260 K HN 0.702 nan 8.250 nan 0.000 0.426 261 T N 0.746 115.142 114.554 -0.264 0.000 2.869 261 T HA 0.253 4.602 4.350 -0.002 0.000 0.295 261 T C 0.643 175.161 174.700 -0.303 0.000 0.987 261 T CA -0.501 61.360 62.100 -0.398 0.000 1.109 261 T CB 1.292 69.894 68.868 -0.443 0.000 0.932 261 T HN 0.649 nan 8.240 nan 0.000 0.518 262 K N 1.071 121.290 120.400 -0.302 0.000 2.356 262 K HA 0.137 4.456 4.320 -0.002 0.000 0.195 262 K C 0.850 177.331 176.600 -0.198 0.000 1.037 262 K CA 0.316 56.478 56.287 -0.209 0.000 1.014 262 K CB 0.309 32.706 32.500 -0.172 0.000 0.815 262 K HN 0.921 nan 8.250 nan 0.000 0.507 263 E N -0.231 119.819 120.200 -0.251 0.000 2.447 263 E HA 0.219 4.568 4.350 -0.002 0.000 0.279 263 E C -1.233 175.217 176.600 -0.250 0.000 1.053 263 E CA -1.059 55.214 56.400 -0.210 0.000 0.840 263 E CB 0.953 30.546 29.700 -0.178 0.000 1.409 263 E HN -0.148 nan 8.360 nan 0.000 0.461 264 R N 0.886 121.268 120.500 -0.196 0.000 2.522 264 R HA 0.258 4.597 4.340 -0.002 0.000 0.284 264 R C -0.444 175.718 176.300 -0.230 0.000 1.032 264 R CA 0.161 56.141 56.100 -0.199 0.000 1.049 264 R CB 0.351 30.566 30.300 -0.142 0.000 0.956 264 R HN 0.426 nan 8.270 nan 0.000 0.422 265 V N 0.807 120.557 119.914 -0.273 0.000 2.760 265 V HA 0.467 4.586 4.120 -0.002 0.000 0.309 265 V C -1.004 174.970 176.094 -0.200 0.000 1.077 265 V CA -1.219 60.932 62.300 -0.248 0.000 0.910 265 V CB 2.052 33.651 31.823 -0.373 0.000 1.008 265 V HN 0.680 nan 8.190 nan 0.000 0.424 266 K N 3.674 123.996 120.400 -0.130 0.000 2.262 266 K HA 0.674 4.993 4.320 -0.002 0.000 0.282 266 K C -1.181 175.354 176.600 -0.109 0.000 1.066 266 K CA -0.478 55.735 56.287 -0.123 0.000 0.901 266 K CB 1.640 34.091 32.500 -0.082 0.000 1.089 266 K HN 0.625 nan 8.250 nan 0.000 0.476 267 L N 3.264 124.374 121.223 -0.188 0.000 2.377 267 L HA 0.387 4.726 4.340 -0.002 0.000 0.270 267 L C 0.365 176.952 176.870 -0.471 0.000 0.991 267 L CA 0.652 55.326 54.840 -0.276 0.000 0.851 267 L CB 0.902 42.818 42.059 -0.238 0.000 1.218 267 L HN 0.906 nan 8.230 nan 0.000 0.420 268 G N 4.164 112.618 108.800 -0.577 0.000 2.531 268 G HA2 -0.368 3.591 3.960 -0.002 0.000 0.274 268 G HA3 -0.368 3.591 3.960 -0.002 0.000 0.274 268 G C 0.387 175.192 174.900 -0.157 0.000 1.159 268 G CA 0.541 45.323 45.100 -0.530 0.000 0.969 268 G HN 0.587 nan 8.290 nan 0.000 0.554 269 D N 1.599 121.953 120.400 -0.077 0.000 2.348 269 D HA 0.224 4.863 4.640 -0.002 0.000 0.211 269 D C 1.202 177.497 176.300 -0.007 0.000 0.998 269 D CA 0.679 54.676 54.000 -0.004 0.000 0.873 269 D CB 0.193 41.022 40.800 0.049 0.000 0.925 269 D HN 0.359 nan 8.370 nan 0.000 0.524 270 Q N 0.156 119.931 119.800 -0.042 0.000 2.227 270 Q HA 0.414 4.753 4.340 -0.002 0.000 0.245 270 Q C -0.248 175.652 176.000 -0.166 0.000 0.926 270 Q CA 0.118 55.902 55.803 -0.032 0.000 0.895 270 Q CB 1.437 30.201 28.738 0.044 0.000 1.230 270 Q HN -0.072 nan 8.270 nan 0.000 0.450 271 T N 2.017 116.470 114.554 -0.168 0.000 2.815 271 T HA 0.570 4.919 4.350 -0.002 0.000 0.289 271 T C 0.067 174.543 174.700 -0.374 0.000 1.000 271 T CA -0.404 61.564 62.100 -0.221 0.000 0.958 271 T CB 0.364 69.164 68.868 -0.113 0.000 0.944 271 T HN 0.305 nan 8.240 nan 0.000 0.442 272 I N 3.493 123.750 120.570 -0.522 0.000 2.321 272 I HA 0.315 4.484 4.170 -0.002 0.000 0.291 272 I C 0.617 176.516 176.117 -0.363 0.000 0.998 272 I CA -0.995 59.903 61.300 -0.671 0.000 1.227 272 I CB 1.200 38.635 38.000 -0.941 0.000 1.368 272 I HN 0.426 nan 8.210 nan 0.000 0.466 273 E N 4.811 124.876 120.200 -0.224 0.000 2.397 273 E HA 0.100 4.449 4.350 -0.002 0.000 0.254 273 E C 0.031 176.531 176.600 -0.167 0.000 1.231 273 E CA -0.348 55.962 56.400 -0.151 0.000 0.954 273 E CB 0.618 30.273 29.700 -0.075 0.000 1.024 273 E HN 0.438 nan 8.360 nan 0.000 0.481 274 E N 0.006 120.121 120.200 -0.140 0.000 2.383 274 E HA 0.133 4.482 4.350 -0.002 0.000 0.264 274 E C 0.390 176.918 176.600 -0.119 0.000 1.050 274 E CA 0.568 56.878 56.400 -0.150 0.000 0.896 274 E CB 0.566 30.192 29.700 -0.124 0.000 0.982 274 E HN 0.645 nan 8.360 nan 0.000 0.424 275 G N 3.533 112.238 108.800 -0.158 0.000 2.143 275 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.248 275 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.248 275 G C -0.073 174.717 174.900 -0.183 0.000 0.991 275 G CA 0.351 45.353 45.100 -0.163 0.000 0.689 275 G HN 0.497 nan 8.290 nan 0.000 0.522 276 E N -0.570 119.539 120.200 -0.152 0.000 2.242 276 E HA 0.524 4.873 4.350 -0.002 0.000 0.275 276 E C -0.428 176.102 176.600 -0.117 0.000 1.002 276 E CA -0.691 55.708 56.400 -0.002 0.000 0.841 276 E CB 0.922 30.723 29.700 0.167 0.000 1.109 276 E HN 0.284 nan 8.360 nan 0.000 0.394 277 Y N 0.205 120.625 120.300 0.200 0.000 2.308 277 Y HA 0.226 4.775 4.550 -0.001 0.000 0.329 277 Y C 0.288 176.323 175.900 0.225 0.000 1.111 277 Y CA -0.492 57.705 58.100 0.161 0.000 1.179 277 Y CB 1.236 39.766 38.460 0.116 0.000 1.201 277 Y HN 0.079 nan 8.280 nan 0.000 0.483 278 V N 4.767 124.857 119.914 0.294 0.000 2.349 278 V HA 0.381 4.500 4.120 -0.002 0.000 0.284 278 V C -0.321 175.848 176.094 0.123 0.000 1.014 278 V CA -1.096 61.356 62.300 0.253 0.000 0.826 278 V CB 1.210 33.172 31.823 0.232 0.000 1.009 278 V HN 0.581 nan 8.190 nan 0.000 0.431 279 R N 3.773 124.320 120.500 0.078 0.000 2.248 279 R HA 0.492 4.831 4.340 -0.002 0.000 0.328 279 R C -0.856 175.304 176.300 -0.232 0.000 1.067 279 R CA -0.089 55.927 56.100 -0.139 0.000 0.924 279 R CB 0.945 31.128 30.300 -0.195 0.000 1.013 279 R HN 0.549 nan 8.270 nan 0.000 0.454 280 V N 6.194 125.944 119.914 -0.273 0.000 2.318 280 V HA 0.176 4.295 4.120 -0.002 0.000 0.271 280 V C -0.509 175.401 176.094 -0.307 0.000 1.030 280 V CA -0.653 61.505 62.300 -0.236 0.000 0.844 280 V CB 0.712 32.434 31.823 -0.168 0.000 1.015 280 V HN 0.791 nan 8.190 nan 0.000 0.460 281 W N 5.352 126.437 121.300 -0.358 0.000 2.290 281 W HA 0.390 5.049 4.660 -0.002 0.000 0.408 281 W C 1.336 177.645 176.519 -0.350 0.000 0.966 281 W CA -0.394 56.699 57.345 -0.420 0.000 1.579 281 W CB 0.138 29.140 29.460 -0.764 0.000 1.662 281 W HN 0.563 nan 8.180 nan 0.000 0.341 282 I N 2.268 122.820 120.570 -0.030 0.000 2.151 282 I HA -0.395 3.774 4.170 -0.002 0.000 0.243 282 I C 2.506 178.627 176.117 0.007 0.000 1.080 282 I CA 1.640 62.930 61.300 -0.017 0.000 1.339 282 I CB -0.547 37.447 38.000 -0.010 0.000 1.039 282 I HN 0.513 nan 8.210 nan 0.000 0.409 283 A N -0.312 122.537 122.820 0.049 0.000 1.948 283 A HA -0.278 4.041 4.320 -0.002 0.000 0.220 283 A C 2.488 180.059 177.584 -0.022 0.000 1.177 283 A CA 2.461 54.559 52.037 0.103 0.000 0.636 283 A CB -0.729 18.439 19.000 0.280 0.000 0.815 283 A HN 0.454 nan 8.150 nan 0.000 0.449 284 S N -0.809 114.619 115.700 -0.454 0.000 2.377 284 S HA 0.112 4.581 4.470 -0.002 0.000 0.223 284 S C 2.198 176.752 174.600 -0.077 0.000 1.030 284 S CA 1.258 59.152 58.200 -0.509 0.000 0.970 284 S CB -0.478 62.130 63.200 -0.987 0.000 0.830 284 S HN 0.827 nan 8.310 nan 0.000 0.473 285 A N 2.128 124.935 122.820 -0.022 0.000 1.940 285 A HA -0.112 4.207 4.320 -0.002 0.000 0.219 285 A C 1.850 179.615 177.584 0.301 0.000 1.176 285 A CA 1.855 53.986 52.037 0.156 0.000 0.631 285 A CB -0.982 18.061 19.000 0.072 0.000 0.814 285 A HN 0.607 nan 8.150 nan 0.000 0.446 286 N N -0.308 118.467 118.700 0.125 0.000 2.519 286 N HA -0.077 4.662 4.740 -0.002 0.000 0.186 286 N C 1.081 176.366 175.510 -0.375 0.000 1.062 286 N CA 0.714 53.688 53.050 -0.127 0.000 0.910 286 N CB -0.095 38.325 38.487 -0.111 0.000 0.958 286 N HN 0.453 nan 8.380 nan 0.000 0.445 287 R N -0.188 120.292 120.500 -0.035 0.000 2.508 287 R HA 0.119 4.458 4.340 -0.002 0.000 0.300 287 R C -0.362 176.032 176.300 0.156 0.000 0.970 287 R CA -0.310 55.795 56.100 0.008 0.000 1.102 287 R CB 0.165 30.517 30.300 0.085 0.000 1.246 287 R HN 0.115 nan 8.270 nan 0.000 0.539 288 D N 2.320 122.883 120.400 0.271 0.000 2.520 288 D HA -0.090 4.549 4.640 -0.002 0.000 0.243 288 D C 0.980 177.414 176.300 0.224 0.000 1.160 288 D CA 0.482 54.633 54.000 0.252 0.000 0.877 288 D CB 1.060 42.037 40.800 0.296 0.000 1.150 288 D HN -0.063 nan 8.370 nan 0.000 0.494 289 E N 3.477 123.751 120.200 0.123 0.000 2.118 289 E HA -0.184 4.165 4.350 -0.002 0.000 0.195 289 E C 1.518 178.149 176.600 0.051 0.000 0.992 289 E CA 0.902 57.350 56.400 0.079 0.000 0.804 289 E CB 0.212 29.937 29.700 0.041 0.000 0.741 289 E HN 0.619 nan 8.360 nan 0.000 0.458 290 E N -0.025 120.188 120.200 0.021 0.000 2.058 290 E HA -0.142 4.207 4.350 -0.002 0.000 0.194 290 E C 2.188 178.715 176.600 -0.123 0.000 0.997 290 E CA 1.317 57.696 56.400 -0.034 0.000 0.801 290 E CB 0.008 29.681 29.700 -0.045 0.000 0.746 290 E HN 0.157 nan 8.360 nan 0.000 0.450 291 V N -0.179 119.602 119.914 -0.222 0.000 2.599 291 V HA -0.056 4.063 4.120 -0.002 0.000 0.245 291 V C 0.680 176.380 176.094 -0.658 0.000 1.046 291 V CA 0.822 62.771 62.300 -0.585 0.000 1.065 291 V CB -0.134 31.018 31.823 -1.119 0.000 0.703 291 V HN 0.032 nan 8.190 nan 0.000 0.464 292 F N 0.576 120.470 119.950 -0.093 0.000 2.359 292 F HA 0.427 4.954 4.527 -0.001 0.000 0.369 292 F C 0.485 176.291 175.800 0.010 0.000 1.084 292 F CA -0.793 57.186 58.000 -0.035 0.000 1.096 292 F CB -0.040 38.946 39.000 -0.023 0.000 1.335 292 F HN 0.054 nan 8.300 nan 0.000 0.457 293 H N 4.357 123.460 119.070 0.054 0.000 3.064 293 H HA -0.070 4.485 4.556 -0.001 0.000 0.329 293 H C 0.256 175.613 175.328 0.049 0.000 1.020 293 H CA 1.182 57.248 56.048 0.030 0.000 1.402 293 H CB 0.654 30.411 29.762 -0.008 0.000 1.379 293 H HN 0.690 nan 8.280 nan 0.000 0.594 294 D N 2.903 123.070 120.400 -0.389 0.000 2.708 294 D HA -0.144 4.495 4.640 -0.002 0.000 0.236 294 D C 1.364 177.634 176.300 -0.050 0.000 1.146 294 D CA 0.889 54.758 54.000 -0.218 0.000 0.662 294 D CB -1.313 39.395 40.800 -0.153 0.000 1.059 294 D HN 0.916 nan 8.370 nan 0.000 0.428 295 G N 0.396 109.199 108.800 0.005 0.000 2.462 295 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.220 295 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.220 295 G C 1.251 176.185 174.900 0.057 0.000 1.121 295 G CA 0.422 45.561 45.100 0.066 0.000 0.758 295 G HN 0.278 nan 8.290 nan 0.000 0.559 296 E N -0.212 120.016 120.200 0.046 0.000 2.489 296 E HA 0.095 4.444 4.350 -0.002 0.000 0.193 296 E C 0.668 177.369 176.600 0.168 0.000 1.057 296 E CA 0.127 56.579 56.400 0.087 0.000 0.866 296 E CB 0.355 30.078 29.700 0.039 0.000 0.916 296 E HN 0.442 nan 8.360 nan 0.000 0.500 297 K N 0.381 120.813 120.400 0.055 0.000 2.207 297 K HA 0.220 4.539 4.320 -0.002 0.000 0.255 297 K C -1.058 175.388 176.600 -0.255 0.000 0.941 297 K CA -0.648 55.576 56.287 -0.105 0.000 0.825 297 K CB 0.941 33.371 32.500 -0.117 0.000 1.119 297 K HN -0.191 nan 8.250 nan 0.000 0.430 298 F N 6.047 125.520 119.950 -0.795 0.000 2.413 298 F HA 0.345 4.871 4.527 -0.002 0.000 0.359 298 F C -0.578 174.934 175.800 -0.479 0.000 1.122 298 F CA -0.348 57.126 58.000 -0.877 0.000 1.160 298 F CB 0.350 38.537 39.000 -1.354 0.000 1.146 298 F HN 0.348 nan 8.300 nan 0.000 0.514 299 I N 9.793 130.093 120.570 -0.450 0.000 2.388 299 I HA 0.219 4.388 4.170 -0.002 0.000 0.281 299 I C -1.432 174.499 176.117 -0.310 0.000 1.046 299 I CA -1.868 59.282 61.300 -0.249 0.000 1.187 299 I CB 1.490 39.397 38.000 -0.154 0.000 1.351 299 I HN 0.467 nan 8.210 nan 0.000 0.472 300 P HA -0.199 nan 4.420 nan 0.000 0.218 300 P C 0.388 177.614 177.300 -0.123 0.000 1.146 300 P CA 1.549 64.576 63.100 -0.122 0.000 0.813 300 P CB 0.067 31.746 31.700 -0.034 0.000 0.778 301 D N -1.312 119.027 120.400 -0.102 0.000 2.525 301 D HA 0.065 4.704 4.640 -0.002 0.000 0.229 301 D C 0.552 176.820 176.300 -0.053 0.000 1.202 301 D CA -0.819 53.140 54.000 -0.068 0.000 0.828 301 D CB -0.851 39.915 40.800 -0.057 0.000 1.008 301 D HN 0.059 nan 8.370 nan 0.000 0.493 302 R N 1.186 121.643 120.500 -0.072 0.000 2.570 302 R HA 0.229 4.568 4.340 -0.002 0.000 0.277 302 R C -0.488 175.814 176.300 0.004 0.000 1.039 302 R CA 0.064 56.143 56.100 -0.034 0.000 1.065 302 R CB 0.192 30.460 30.300 -0.052 0.000 0.964 302 R HN 0.137 nan 8.270 nan 0.000 0.428 303 N N 4.276 122.985 118.700 0.014 0.000 2.635 303 N HA 0.232 4.971 4.740 -0.002 0.000 0.260 303 N C -2.598 172.914 175.510 0.003 0.000 1.078 303 N CA -1.120 51.942 53.050 0.020 0.000 1.012 303 N CB 1.285 39.779 38.487 0.011 0.000 1.677 303 N HN 0.570 nan 8.380 nan 0.000 0.514 304 P HA 0.321 nan 4.420 nan 0.000 0.275 304 P C -0.893 176.443 177.300 0.061 0.000 1.270 304 P CA -0.355 62.757 63.100 0.019 0.000 0.791 304 P CB 0.523 32.218 31.700 -0.009 0.000 1.089 305 N N 0.378 119.142 118.700 0.108 0.000 2.722 305 N HA 0.165 4.904 4.740 -0.002 0.000 0.242 305 N C -2.623 173.025 175.510 0.229 0.000 1.398 305 N CA -1.280 51.912 53.050 0.238 0.000 0.755 305 N CB 0.675 39.313 38.487 0.251 0.000 1.268 305 N HN 0.177 nan 8.380 nan 0.000 0.522 306 P HA 0.097 nan 4.420 nan 0.000 0.220 306 P C 0.066 177.614 177.300 0.413 0.000 1.778 306 P CA -0.145 63.055 63.100 0.167 0.000 0.912 306 P CB -0.870 30.873 31.700 0.072 0.000 1.861 307 H N -0.348 118.997 119.070 0.458 0.000 2.757 307 H HA 0.142 4.697 4.556 -0.002 0.000 0.370 307 H C 0.135 175.632 175.328 0.281 0.000 1.172 307 H CA -0.452 55.823 56.048 0.378 0.000 1.426 307 H CB 1.175 31.007 29.762 0.115 0.000 1.438 307 H HN 0.106 nan 8.280 nan 0.000 0.612 308 L N 1.690 123.126 121.223 0.355 0.000 2.872 308 L HA 0.085 4.424 4.340 -0.002 0.000 0.245 308 L C 1.508 178.481 176.870 0.172 0.000 1.211 308 L CA -0.189 54.761 54.840 0.183 0.000 1.013 308 L CB 0.253 42.331 42.059 0.031 0.000 1.326 308 L HN 0.551 nan 8.230 nan 0.000 0.525 309 S N 0.139 116.002 115.700 0.271 0.000 2.469 309 S HA -0.019 4.450 4.470 -0.002 0.000 0.238 309 S C 1.172 175.680 174.600 -0.154 0.000 0.998 309 S CA 1.191 59.378 58.200 -0.022 0.000 0.957 309 S CB -0.139 62.901 63.200 -0.265 0.000 0.764 309 S HN 0.377 nan 8.310 nan 0.000 0.514 310 F N 0.956 121.028 119.950 0.203 0.000 2.653 310 F HA 0.416 4.943 4.527 -0.001 0.000 0.304 310 F C 1.532 177.393 175.800 0.101 0.000 1.092 310 F CA 0.041 58.125 58.000 0.139 0.000 1.279 310 F CB -0.016 39.069 39.000 0.141 0.000 1.044 310 F HN 0.261 nan 8.300 nan 0.000 0.564 311 G N 0.411 109.339 108.800 0.213 0.000 2.545 311 G HA2 0.084 4.043 3.960 -0.002 0.000 0.216 311 G HA3 0.084 4.043 3.960 -0.002 0.000 0.216 311 G C -0.490 174.480 174.900 0.117 0.000 1.314 311 G CA -0.310 44.872 45.100 0.135 0.000 0.906 311 G HN 0.519 nan 8.290 nan 0.000 0.563 312 S N -1.073 114.683 115.700 0.093 0.000 2.579 312 S HA 0.744 5.213 4.470 -0.002 0.000 0.290 312 S C 0.368 175.015 174.600 0.079 0.000 1.123 312 S CA 1.293 59.536 58.200 0.071 0.000 0.894 312 S CB 0.752 63.963 63.200 0.018 0.000 1.095 312 S HN 3.122 nan 8.310 nan 0.000 0.450 313 G N 3.171 112.019 108.800 0.079 0.000 2.472 313 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.205 313 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.205 313 G C 0.764 175.696 174.900 0.054 0.000 1.270 313 G CA -0.021 45.133 45.100 0.089 0.000 0.974 313 G HN 1.788 nan 8.290 nan 0.000 0.542 314 I N -2.379 118.182 120.570 -0.015 0.000 2.567 314 I HA 0.023 4.192 4.170 -0.002 0.000 0.257 314 I C 1.659 177.651 176.117 -0.209 0.000 1.184 314 I CA 1.968 63.167 61.300 -0.168 0.000 1.451 314 I CB -0.303 37.419 38.000 -0.462 0.000 1.089 314 I HN 0.468 nan 8.210 nan 0.000 0.441 315 H N 1.236 120.294 119.070 -0.021 0.000 2.551 315 H HA 0.309 4.864 4.556 -0.001 0.000 0.271 315 H C 0.522 175.907 175.328 0.094 0.000 0.984 315 H CA -0.573 55.501 56.048 0.043 0.000 1.164 315 H CB 0.305 30.061 29.762 -0.010 0.000 1.437 315 H HN 0.255 nan 8.280 nan 0.000 0.550 316 L N 2.121 123.444 121.223 0.165 0.000 2.706 316 L HA -0.122 4.217 4.340 -0.002 0.000 0.282 316 L C 0.576 177.539 176.870 0.155 0.000 1.219 316 L CA 0.131 55.064 54.840 0.156 0.000 0.935 316 L CB -0.295 41.829 42.059 0.109 0.000 1.204 316 L HN 0.327 nan 8.230 nan 0.000 0.491 317 C N 6.314 125.729 119.300 0.192 0.000 1.912 317 C HA -0.130 4.329 4.460 -0.002 0.000 0.414 317 C C 1.927 176.973 174.990 0.093 0.000 1.545 317 C CA 0.271 59.391 59.018 0.170 0.000 1.468 317 C CB -1.558 26.336 27.740 0.257 0.000 2.697 317 C HN 0.964 nan 8.230 nan 0.000 0.597 318 L N 6.270 127.585 121.223 0.154 0.000 2.131 318 L HA 0.147 4.486 4.340 -0.002 0.000 0.210 318 L C 2.211 179.260 176.870 0.298 0.000 1.092 318 L CA 2.503 57.461 54.840 0.197 0.000 0.759 318 L CB -0.646 41.540 42.059 0.210 0.000 0.903 318 L HN 0.871 nan 8.230 nan 0.000 0.435 319 G N -1.964 106.959 108.800 0.206 0.000 2.985 319 G HA2 0.131 4.090 3.960 -0.002 0.000 0.209 319 G HA3 0.131 4.090 3.960 -0.002 0.000 0.209 319 G C 1.532 176.300 174.900 -0.221 0.000 1.165 319 G CA 0.460 45.549 45.100 -0.018 0.000 0.776 319 G HN 0.587 nan 8.290 nan 0.000 0.541 320 A N 2.217 124.833 122.820 -0.339 0.000 1.896 320 A HA -0.094 4.225 4.320 -0.002 0.000 0.220 320 A C 0.702 178.014 177.584 -0.453 0.000 1.206 320 A CA 2.074 53.597 52.037 -0.857 0.000 0.647 320 A CB -1.213 17.104 19.000 -1.138 0.000 0.828 320 A HN 0.375 nan 8.150 nan 0.000 0.455 321 P HA -0.115 nan 4.420 nan 0.000 0.217 321 P C 1.622 178.845 177.300 -0.128 0.000 1.150 321 P CA 0.937 63.965 63.100 -0.119 0.000 0.832 321 P CB -0.063 31.626 31.700 -0.019 0.000 0.787 322 L N -0.403 120.659 121.223 -0.267 0.000 2.072 322 L HA 0.041 4.380 4.340 -0.002 0.000 0.205 322 L C 2.246 179.025 176.870 -0.152 0.000 1.079 322 L CA 1.841 56.501 54.840 -0.301 0.000 0.752 322 L CB -1.551 40.075 42.059 -0.721 0.000 0.906 322 L HN -0.133 nan 8.230 nan 0.000 0.436 323 A N -0.235 122.514 122.820 -0.118 0.000 1.883 323 A HA -0.233 4.086 4.320 -0.002 0.000 0.217 323 A C 2.436 180.076 177.584 0.093 0.000 1.186 323 A CA 1.900 53.958 52.037 0.035 0.000 0.624 323 A CB -0.575 18.532 19.000 0.178 0.000 0.822 323 A HN 0.493 nan 8.150 nan 0.000 0.444 324 R N -0.864 119.694 120.500 0.096 0.000 2.081 324 R HA -0.038 4.301 4.340 -0.002 0.000 0.235 324 R C 2.211 178.565 176.300 0.091 0.000 1.131 324 R CA 1.367 57.548 56.100 0.135 0.000 0.960 324 R CB -0.473 29.900 30.300 0.122 0.000 0.856 324 R HN 0.545 nan 8.270 nan 0.000 0.436 325 L N 1.051 122.301 121.223 0.044 0.000 2.017 325 L HA -0.205 4.134 4.340 -0.002 0.000 0.208 325 L C 1.953 178.849 176.870 0.042 0.000 1.073 325 L CA 1.752 56.617 54.840 0.040 0.000 0.745 325 L CB -0.255 41.816 42.059 0.021 0.000 0.894 325 L HN 0.297 nan 8.230 nan 0.000 0.432 326 E N -0.272 119.947 120.200 0.031 0.000 2.077 326 E HA -0.231 4.118 4.350 -0.002 0.000 0.193 326 E C 2.140 178.769 176.600 0.049 0.000 0.989 326 E CA 1.202 57.621 56.400 0.032 0.000 0.800 326 E CB -0.145 29.567 29.700 0.021 0.000 0.746 326 E HN 0.595 nan 8.360 nan 0.000 0.452 327 A N 1.823 124.685 122.820 0.070 0.000 1.877 327 A HA -0.205 4.114 4.320 -0.002 0.000 0.216 327 A C 2.151 179.804 177.584 0.115 0.000 1.186 327 A CA 1.320 53.411 52.037 0.089 0.000 0.620 327 A CB -0.453 18.613 19.000 0.109 0.000 0.822 327 A HN 0.036 nan 8.150 nan 0.000 0.443 328 R N 0.103 120.673 120.500 0.115 0.000 2.091 328 R HA -0.111 4.228 4.340 -0.002 0.000 0.238 328 R C 1.931 178.258 176.300 0.044 0.000 1.136 328 R CA 1.977 58.144 56.100 0.112 0.000 0.959 328 R CB -0.565 29.794 30.300 0.098 0.000 0.856 328 R HN 0.605 nan 8.270 nan 0.000 0.437 329 I N 0.525 121.115 120.570 0.033 0.000 2.353 329 I HA -0.198 3.971 4.170 -0.002 0.000 0.248 329 I C 2.579 178.720 176.117 0.041 0.000 1.119 329 I CA 1.090 62.395 61.300 0.007 0.000 1.417 329 I CB -0.404 37.600 38.000 0.006 0.000 1.078 329 I HN 0.187 nan 8.210 nan 0.000 0.421 330 A N 1.244 124.106 122.820 0.071 0.000 1.902 330 A HA -0.164 4.155 4.320 -0.002 0.000 0.217 330 A C 2.216 179.923 177.584 0.205 0.000 1.181 330 A CA 1.368 53.469 52.037 0.107 0.000 0.623 330 A CB -0.514 18.528 19.000 0.070 0.000 0.818 330 A HN 0.274 nan 8.150 nan 0.000 0.443 331 I N -0.228 120.482 120.570 0.234 0.000 2.202 331 I HA -0.174 3.996 4.170 -0.002 0.000 0.242 331 I C 2.353 178.718 176.117 0.414 0.000 1.091 331 I CA 1.533 63.092 61.300 0.432 0.000 1.368 331 I CB -1.564 36.726 38.000 0.483 0.000 1.058 331 I HN 0.478 nan 8.210 nan 0.000 0.410 332 E N 0.729 120.963 120.200 0.057 0.000 2.023 332 E HA -0.233 4.116 4.350 -0.002 0.000 0.196 332 E C 2.081 178.683 176.600 0.004 0.000 1.003 332 E CA 1.452 57.688 56.400 -0.274 0.000 0.809 332 E CB 0.139 29.577 29.700 -0.437 0.000 0.755 332 E HN 0.341 nan 8.360 nan 0.000 0.449 333 E N -0.051 120.177 120.200 0.047 0.000 2.110 333 E HA -0.185 4.164 4.350 -0.002 0.000 0.193 333 E C 1.879 178.553 176.600 0.124 0.000 0.988 333 E CA 0.637 57.070 56.400 0.055 0.000 0.804 333 E CB -0.346 29.379 29.700 0.042 0.000 0.745 333 E HN 0.291 nan 8.360 nan 0.000 0.458 334 F N 2.362 122.383 119.950 0.119 0.000 2.102 334 F HA -0.222 4.304 4.527 -0.002 0.000 0.298 334 F C 2.566 178.452 175.800 0.144 0.000 1.105 334 F CA 1.852 59.967 58.000 0.192 0.000 1.239 334 F CB -0.325 38.812 39.000 0.228 0.000 0.991 334 F HN 0.005 nan 8.300 nan 0.000 0.474 335 S N -0.270 115.594 115.700 0.272 0.000 2.419 335 S HA -0.186 4.283 4.470 -0.002 0.000 0.233 335 S C 1.882 176.482 174.600 0.001 0.000 1.016 335 S CA 1.172 59.459 58.200 0.145 0.000 0.974 335 S CB -0.591 62.953 63.200 0.575 0.000 0.786 335 S HN 0.496 nan 8.310 nan 0.000 0.492 336 K N 1.065 121.459 120.400 -0.010 0.000 2.044 336 K HA 0.088 4.407 4.320 -0.002 0.000 0.204 336 K C 2.545 179.014 176.600 -0.218 0.000 1.049 336 K CA 1.039 57.282 56.287 -0.073 0.000 0.945 336 K CB -0.197 32.271 32.500 -0.053 0.000 0.724 336 K HN 0.302 nan 8.250 nan 0.000 0.440 337 R N 0.256 120.530 120.500 -0.378 0.000 2.148 337 R HA -0.002 4.337 4.340 -0.002 0.000 0.223 337 R C -0.313 175.419 176.300 -0.948 0.000 1.088 337 R CA 0.795 56.483 56.100 -0.687 0.000 0.985 337 R CB 0.187 29.929 30.300 -0.930 0.000 0.880 337 R HN -0.024 nan 8.270 nan 0.000 0.451 338 F N -0.092 119.620 119.950 -0.398 0.000 2.426 338 F HA 0.361 4.887 4.527 -0.001 0.000 0.348 338 F C 1.244 176.831 175.800 -0.354 0.000 1.124 338 F CA -0.948 56.784 58.000 -0.447 0.000 1.008 338 F CB 1.567 40.100 39.000 -0.779 0.000 1.139 338 F HN -0.179 nan 8.300 nan 0.000 0.452 339 R N 1.528 122.000 120.500 -0.047 0.000 2.090 339 R HA -0.049 4.290 4.340 -0.002 0.000 0.228 339 R C -0.009 176.296 176.300 0.008 0.000 1.110 339 R CA 1.236 57.321 56.100 -0.026 0.000 0.973 339 R CB 0.136 30.438 30.300 0.002 0.000 0.869 339 R HN 0.694 nan 8.270 nan 0.000 0.440 340 H N -0.789 118.215 119.070 -0.110 0.000 3.012 340 H HA 0.371 4.926 4.556 -0.002 0.000 0.367 340 H C -1.745 173.485 175.328 -0.163 0.000 1.211 340 H CA -0.780 55.196 56.048 -0.121 0.000 1.139 340 H CB 1.765 31.488 29.762 -0.064 0.000 1.838 340 H HN 0.152 nan 8.280 nan 0.000 0.550 341 I N 2.634 122.889 120.570 -0.524 0.000 2.533 341 I HA 0.311 4.480 4.170 -0.002 0.000 0.290 341 I C -1.192 174.828 176.117 -0.161 0.000 1.056 341 I CA -0.499 60.651 61.300 -0.249 0.000 1.057 341 I CB 1.817 39.654 38.000 -0.272 0.000 1.240 341 I HN 0.657 nan 8.210 nan 0.000 0.423 342 E N 8.023 128.241 120.200 0.030 0.000 2.218 342 E HA 0.430 4.779 4.350 -0.002 0.000 0.263 342 E C -1.435 175.166 176.600 0.003 0.000 0.879 342 E CA -0.698 55.743 56.400 0.069 0.000 0.762 342 E CB 1.672 31.450 29.700 0.129 0.000 1.166 342 E HN 0.581 nan 8.360 nan 0.000 0.415 343 I N 6.563 127.124 120.570 -0.014 0.000 2.352 343 I HA 0.087 4.256 4.170 -0.002 0.000 0.290 343 I C 0.973 177.075 176.117 -0.025 0.000 1.036 343 I CA -0.097 61.181 61.300 -0.037 0.000 1.336 343 I CB 0.869 38.832 38.000 -0.062 0.000 1.407 343 I HN 0.639 nan 8.210 nan 0.000 0.497 344 L N 4.059 125.266 121.223 -0.027 0.000 2.357 344 L HA 0.296 4.635 4.340 -0.002 0.000 0.211 344 L C 0.153 177.014 176.870 -0.015 0.000 1.075 344 L CA 0.534 55.363 54.840 -0.018 0.000 0.830 344 L CB -0.017 42.031 42.059 -0.019 0.000 0.996 344 L HN 0.589 nan 8.230 nan 0.000 0.467 345 D N -0.646 119.743 120.400 -0.018 0.000 2.706 345 D HA 0.383 5.022 4.640 -0.002 0.000 0.225 345 D C -1.083 175.218 176.300 0.001 0.000 1.241 345 D CA -0.142 53.855 54.000 -0.005 0.000 0.784 345 D CB 2.007 42.804 40.800 -0.004 0.000 1.521 345 D HN 0.008 nan 8.370 nan 0.000 0.461 346 T N -0.509 114.067 114.554 0.035 0.000 2.894 346 T HA 0.725 5.074 4.350 -0.002 0.000 0.309 346 T C -1.074 173.700 174.700 0.123 0.000 1.208 346 T CA -0.896 61.263 62.100 0.099 0.000 1.016 346 T CB 1.948 70.906 68.868 0.149 0.000 1.192 346 T HN 0.304 nan 8.240 nan 0.000 0.491 347 E N 1.287 121.585 120.200 0.163 0.000 2.274 347 E HA 0.335 4.684 4.350 -0.002 0.000 0.269 347 E C -0.926 175.693 176.600 0.032 0.000 0.891 347 E CA -0.864 55.581 56.400 0.075 0.000 0.784 347 E CB 1.251 30.974 29.700 0.039 0.000 1.225 347 E HN 0.434 nan 8.360 nan 0.000 0.412 348 K N 1.870 122.212 120.400 -0.096 0.000 2.154 348 K HA 0.279 4.598 4.320 -0.002 0.000 0.264 348 K C -0.419 176.090 176.600 -0.151 0.000 1.008 348 K CA -0.560 55.561 56.287 -0.277 0.000 0.937 348 K CB 1.639 33.944 32.500 -0.324 0.000 1.002 348 K HN 0.330 nan 8.250 nan 0.000 0.469 349 V N 4.734 124.553 119.914 -0.158 0.000 2.415 349 V HA 0.076 4.195 4.120 -0.002 0.000 0.267 349 V C -2.081 173.979 176.094 -0.056 0.000 1.042 349 V CA -1.477 60.779 62.300 -0.074 0.000 1.000 349 V CB 0.374 32.168 31.823 -0.048 0.000 1.015 349 V HN 0.534 nan 8.190 nan 0.000 0.478 350 P HA 0.142 nan 4.420 nan 0.000 0.263 350 P C -0.289 177.024 177.300 0.022 0.000 1.345 350 P CA 0.477 63.569 63.100 -0.012 0.000 1.119 350 P CB 0.009 31.705 31.700 -0.007 0.000 1.363 351 N N 2.327 121.039 118.700 0.020 0.000 2.516 351 N HA 0.005 4.744 4.740 -0.002 0.000 0.268 351 N C 0.685 176.218 175.510 0.039 0.000 1.096 351 N CA -0.335 52.742 53.050 0.046 0.000 0.954 351 N CB 1.673 40.193 38.487 0.054 0.000 1.676 351 N HN 0.120 nan 8.380 nan 0.000 0.490 352 E N 1.433 121.659 120.200 0.043 0.000 2.170 352 E HA -0.044 4.305 4.350 -0.002 0.000 0.191 352 E C 1.351 177.985 176.600 0.057 0.000 0.981 352 E CA 0.787 57.231 56.400 0.073 0.000 0.830 352 E CB 0.086 29.829 29.700 0.071 0.000 0.775 352 E HN 0.260 nan 8.360 nan 0.000 0.470 353 V N 1.039 120.947 119.914 -0.011 0.000 2.500 353 V HA 0.129 4.248 4.120 -0.002 0.000 0.243 353 V C 1.071 177.163 176.094 -0.004 0.000 1.039 353 V CA 0.354 62.626 62.300 -0.046 0.000 1.053 353 V CB 0.037 31.799 31.823 -0.102 0.000 0.695 353 V HN 0.081 nan 8.190 nan 0.000 0.463 354 L N 2.280 123.507 121.223 0.006 0.000 2.312 354 L HA 0.405 4.744 4.340 -0.002 0.000 0.281 354 L C -0.114 176.767 176.870 0.018 0.000 1.070 354 L CA 0.092 54.941 54.840 0.015 0.000 0.805 354 L CB 0.998 43.068 42.059 0.018 0.000 1.174 354 L HN 0.343 nan 8.230 nan 0.000 0.434 355 N N 2.178 120.891 118.700 0.022 0.000 2.524 355 N HA 0.599 5.338 4.740 -0.002 0.000 0.261 355 N C -0.662 174.846 175.510 -0.004 0.000 0.998 355 N CA -0.158 52.898 53.050 0.010 0.000 0.915 355 N CB 1.605 40.127 38.487 0.059 0.000 1.187 355 N HN 0.829 nan 8.380 nan 0.000 0.507 356 G N 1.829 110.584 108.800 -0.074 0.000 2.561 356 G HA2 0.318 4.277 3.960 -0.002 0.000 0.310 356 G HA3 0.318 4.277 3.960 -0.002 0.000 0.310 356 G C -2.330 172.442 174.900 -0.213 0.000 1.292 356 G CA -0.414 44.670 45.100 -0.027 0.000 0.811 356 G HN 0.374 nan 8.290 nan 0.000 0.482 357 Y N 0.048 120.339 120.300 -0.015 0.000 2.393 357 Y HA 0.575 5.124 4.550 -0.001 0.000 0.341 357 Y C 1.346 177.234 175.900 -0.020 0.000 0.988 357 Y CA -0.783 57.305 58.100 -0.020 0.000 1.078 357 Y CB 2.737 41.176 38.460 -0.034 0.000 1.203 357 Y HN 0.614 nan 8.280 nan 0.000 0.453 358 K N 1.748 122.203 120.400 0.092 0.000 2.211 358 K HA 0.244 4.563 4.320 -0.002 0.000 0.201 358 K C -0.256 176.380 176.600 0.060 0.000 1.052 358 K CA 0.823 57.140 56.287 0.050 0.000 0.973 358 K CB 0.423 32.931 32.500 0.014 0.000 0.766 358 K HN 0.641 nan 8.250 nan 0.000 0.466 359 R N 0.491 121.048 120.500 0.094 0.000 2.604 359 R HA 0.372 4.711 4.340 -0.002 0.000 0.281 359 R C -1.443 174.893 176.300 0.061 0.000 1.020 359 R CA -0.636 55.498 56.100 0.057 0.000 0.899 359 R CB 1.875 32.194 30.300 0.032 0.000 1.205 359 R HN 0.042 nan 8.270 nan 0.000 0.450 360 L N 3.191 124.406 121.223 -0.012 0.000 2.514 360 L HA 0.331 4.670 4.340 -0.002 0.000 0.257 360 L C -1.229 175.594 176.870 -0.079 0.000 1.101 360 L CA -0.752 54.038 54.840 -0.083 0.000 0.911 360 L CB 1.705 43.659 42.059 -0.175 0.000 1.162 360 L HN 0.364 nan 8.230 nan 0.000 0.477 361 V N 4.232 124.113 119.914 -0.055 0.000 2.461 361 V HA 0.414 4.533 4.120 -0.002 0.000 0.275 361 V C 0.258 176.317 176.094 -0.059 0.000 1.047 361 V CA -0.318 61.951 62.300 -0.051 0.000 0.955 361 V CB 1.370 33.174 31.823 -0.032 0.000 0.988 361 V HN 0.481 nan 8.190 nan 0.000 0.471 362 V N 2.977 122.852 119.914 -0.066 0.000 3.141 362 V HA 0.776 4.895 4.120 -0.002 0.000 0.312 362 V C -0.630 175.424 176.094 -0.068 0.000 1.157 362 V CA -1.219 61.042 62.300 -0.065 0.000 1.041 362 V CB 2.221 34.000 31.823 -0.073 0.000 1.071 362 V HN 0.845 nan 8.190 nan 0.000 0.441 363 R N 1.175 121.644 120.500 -0.052 0.000 2.534 363 R HA 0.858 5.197 4.340 -0.002 0.000 0.301 363 R C -1.758 174.511 176.300 -0.052 0.000 0.961 363 R CA -0.646 55.425 56.100 -0.048 0.000 0.871 363 R CB 1.703 31.992 30.300 -0.019 0.000 1.170 363 R HN 0.904 nan 8.270 nan 0.000 0.446 364 L N 2.745 123.913 121.223 -0.092 0.000 2.327 364 L HA 0.609 4.948 4.340 -0.002 0.000 0.258 364 L C -0.638 176.236 176.870 0.007 0.000 1.024 364 L CA -1.289 53.493 54.840 -0.097 0.000 0.825 364 L CB 2.163 43.980 42.059 -0.404 0.000 1.386 364 L HN 0.440 nan 8.230 nan 0.000 0.417 365 K N 0.884 121.324 120.400 0.067 0.000 2.221 365 K HA 0.518 4.837 4.320 -0.002 0.000 0.258 365 K C -0.574 176.098 176.600 0.119 0.000 0.944 365 K CA -0.460 55.866 56.287 0.066 0.000 0.823 365 K CB 2.256 34.777 32.500 0.035 0.000 1.113 365 K HN 0.580 nan 8.250 nan 0.000 0.431 366 S N 2.126 117.869 115.700 0.071 0.000 2.686 366 S HA 0.386 4.855 4.470 -0.002 0.000 0.270 366 S C -0.143 174.417 174.600 -0.067 0.000 1.194 366 S CA -0.099 58.097 58.200 -0.007 0.000 0.990 366 S CB 0.222 63.407 63.200 -0.025 0.000 1.029 366 S HN 0.748 nan 8.310 nan 0.000 0.560 367 N N 0.000 118.620 118.700 -0.133 0.000 1.763 367 N HA 0.000 4.739 4.740 -0.002 0.000 0.220 367 N CA 0.000 52.984 53.050 -0.110 0.000 0.885 367 N CB 0.000 38.448 38.487 -0.065 0.000 1.341 367 N HN 0.000 nan 8.380 nan 0.000 0.667