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 3gue_1_A DATA FIRST_RESID 8 DATA SEQUENCE SGAALACLEK MQASGVEEKC IHIFLIQHAL VRKGETGYIP EKSISPVESL DATA SEQUENCE PFLQGIETKG ENTALLRQAV VLKLNGGLGT GMGLNGPKSL LQVKNGQTFL DATA SEQUENCE DFTALQLEHF RQVRNCNVPF MLMNSFSTSG ETKNFLRKYP TLYEVFDSDI DATA SEQUENCE ELMQNRVPKI RQDNFFPVTY EADPTCEWVP PGHGDVYTVL YSSGKLDYLL DATA SEQUENCE GKGYRYMFIS NGDNLGATLD VRLLDYMHEK QLGFLMEVCR RTESDKKGGH DATA SEQUENCE LAYKDXXXXX XXXTRRRFVL RESAQCPKED EDSFQNIAKH CFFNTNNIWI DATA SEQUENCE NLMELKKMMD EQLGVLRLPV MRNPKTVNPQ DSQSTKVYQL EVAMGAAISL DATA SEQUENCE FDRSEAVVVP RERFAPVKTC SDLLALRSDA YQVTEDQRLV LCEERNGKPP DATA SEQUENCE AIDLDGEHYK MIDGFEKLVK GGVPSLRQCT SLTVRGLVEF GADVSVRGNV DATA SEQUENCE VIKNLKEEPL IIGSGRVLDN EVVVVE 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.555 174.600 -0.075 0.000 1.055 8 S CA 0.000 58.179 58.200 -0.034 0.000 1.107 8 S CB 0.000 63.168 63.200 -0.054 0.000 0.593 9 G N 2.898 111.681 108.800 -0.029 0.000 2.408 9 G HA2 0.100 3.082 3.960 -1.629 0.000 0.217 9 G HA3 0.100 3.082 3.960 -1.629 0.000 0.217 9 G C 1.575 176.199 174.900 -0.460 0.000 1.150 9 G CA 1.004 46.081 45.100 -0.037 0.000 0.776 9 G HN 1.168 nan 8.290 nan 0.000 0.542 10 A N 1.114 123.511 122.820 -0.706 0.000 1.933 10 A HA 0.284 3.627 4.320 -1.629 0.000 0.218 10 A C 2.763 179.953 177.584 -0.656 0.000 1.175 10 A CA 2.193 53.547 52.037 -1.139 0.000 0.628 10 A CB -0.633 18.181 19.000 -0.310 0.000 0.814 10 A HN 0.690 nan 8.150 nan 0.000 0.444 11 A N -0.774 121.728 122.820 -0.530 0.000 1.897 11 A HA 0.081 3.423 4.320 -1.629 0.000 0.215 11 A C 2.085 179.482 177.584 -0.312 0.000 1.181 11 A CA 1.514 53.200 52.037 -0.585 0.000 0.620 11 A CB -0.562 18.180 19.000 -0.429 0.000 0.821 11 A HN 0.549 nan 8.150 nan 0.000 0.443 12 L N -0.045 121.039 121.223 -0.232 0.000 2.046 12 L HA -0.085 3.278 4.340 -1.629 0.000 0.208 12 L C 2.715 179.514 176.870 -0.119 0.000 1.077 12 L CA 2.077 56.838 54.840 -0.132 0.000 0.747 12 L CB -0.783 41.227 42.059 -0.081 0.000 0.896 12 L HN 0.361 nan 8.230 nan 0.000 0.432 13 A N -1.385 121.324 122.820 -0.185 0.000 1.908 13 A HA -0.267 3.075 4.320 -1.629 0.000 0.218 13 A C 2.396 179.922 177.584 -0.097 0.000 1.181 13 A CA 1.995 53.965 52.037 -0.113 0.000 0.627 13 A CB -1.485 17.429 19.000 -0.143 0.000 0.818 13 A HN 0.627 nan 8.150 nan 0.000 0.445 14 C N -1.131 118.081 119.300 -0.146 0.000 2.429 14 C HA -0.032 3.451 4.460 -1.629 0.000 0.277 14 C C 2.565 177.516 174.990 -0.065 0.000 1.262 14 C CA 0.904 59.869 59.018 -0.088 0.000 1.733 14 C CB -1.581 26.187 27.740 0.047 0.000 2.010 14 C HN 0.714 nan 8.230 nan 0.000 0.483 15 L N 0.954 122.145 121.223 -0.053 0.000 2.017 15 L HA -0.191 3.172 4.340 -1.629 0.000 0.208 15 L C 2.639 179.507 176.870 -0.003 0.000 1.073 15 L CA 1.884 56.715 54.840 -0.015 0.000 0.745 15 L CB -0.474 41.571 42.059 -0.023 0.000 0.894 15 L HN 0.390 nan 8.230 nan 0.000 0.432 16 E N -0.333 119.862 120.200 -0.008 0.000 2.072 16 E HA -0.277 3.095 4.350 -1.629 0.000 0.191 16 E C 2.123 178.743 176.600 0.033 0.000 0.985 16 E CA 1.258 57.665 56.400 0.012 0.000 0.801 16 E CB -0.025 29.683 29.700 0.012 0.000 0.750 16 E HN 0.400 nan 8.360 nan 0.000 0.452 17 K N 0.601 121.018 120.400 0.029 0.000 2.097 17 K HA -0.140 3.203 4.320 -1.629 0.000 0.206 17 K C 2.078 178.790 176.600 0.187 0.000 1.049 17 K CA 1.161 57.493 56.287 0.076 0.000 0.933 17 K CB 0.053 32.542 32.500 -0.018 0.000 0.717 17 K HN 0.062 nan 8.250 nan 0.000 0.442 18 M N 0.391 120.068 119.600 0.129 0.000 2.099 18 M HA -0.175 3.327 4.480 -1.629 0.000 0.262 18 M C 2.236 178.587 176.300 0.086 0.000 1.067 18 M CA 1.652 57.056 55.300 0.174 0.000 1.124 18 M CB -0.181 32.452 32.600 0.055 0.000 1.353 18 M HN 0.160 nan 8.290 nan 0.000 0.410 19 Q N 0.055 119.885 119.800 0.050 0.000 2.135 19 Q HA -0.142 3.221 4.340 -1.629 0.000 0.204 19 Q C 2.162 178.174 176.000 0.020 0.000 0.981 19 Q CA 1.563 57.380 55.803 0.025 0.000 0.856 19 Q CB -0.310 28.439 28.738 0.018 0.000 0.902 19 Q HN 0.588 nan 8.270 nan 0.000 0.425 20 A N -0.058 122.786 122.820 0.041 0.000 2.067 20 A HA -0.077 3.265 4.320 -1.629 0.000 0.219 20 A C 2.006 179.593 177.584 0.005 0.000 1.158 20 A CA 1.247 53.304 52.037 0.033 0.000 0.661 20 A CB -0.017 19.017 19.000 0.057 0.000 0.801 20 A HN 0.154 nan 8.150 nan 0.000 0.452 21 S N -2.064 113.630 115.700 -0.011 0.000 2.540 21 S HA 0.394 3.886 4.470 -1.629 0.000 0.218 21 S C 1.196 175.699 174.600 -0.162 0.000 0.977 21 S CA 0.691 58.808 58.200 -0.139 0.000 0.918 21 S CB 0.223 63.215 63.200 -0.346 0.000 0.806 21 S HN 1.539 nan 8.310 nan 0.000 0.496 22 G N 1.171 109.918 108.800 -0.088 0.000 2.132 22 G HA2 -0.234 2.749 3.960 -1.629 0.000 0.234 22 G HA3 -0.234 2.749 3.960 -1.629 0.000 0.234 22 G C 0.110 174.965 174.900 -0.075 0.000 0.989 22 G CA 0.013 45.066 45.100 -0.077 0.000 0.676 22 G HN 0.402 nan 8.290 nan 0.000 0.522 23 V N 1.231 121.102 119.914 -0.071 0.000 2.673 23 V HA 0.232 3.375 4.120 -1.629 0.000 0.303 23 V C 1.245 177.333 176.094 -0.010 0.000 1.046 23 V CA -0.251 62.022 62.300 -0.046 0.000 1.126 23 V CB 1.502 33.316 31.823 -0.016 0.000 0.934 23 V HN 0.437 nan 8.190 nan 0.000 0.487 24 E N 4.286 124.485 120.200 -0.001 0.000 2.465 24 E HA -0.071 3.302 4.350 -1.629 0.000 0.260 24 E C 1.330 177.955 176.600 0.041 0.000 0.980 24 E CA 0.184 56.594 56.400 0.017 0.000 0.927 24 E CB 0.717 30.431 29.700 0.023 0.000 0.934 24 E HN 0.871 nan 8.360 nan 0.000 0.459 25 E N 5.427 125.651 120.200 0.040 0.000 2.065 25 E HA -0.285 3.088 4.350 -1.629 0.000 0.201 25 E C 0.832 177.496 176.600 0.106 0.000 1.016 25 E CA 1.367 57.801 56.400 0.058 0.000 0.818 25 E CB 0.038 29.759 29.700 0.036 0.000 0.749 25 E HN 0.348 nan 8.360 nan 0.000 0.453 26 K N 0.506 120.977 120.400 0.118 0.000 2.148 26 K HA -0.098 3.245 4.320 -1.629 0.000 0.204 26 K C 2.374 179.064 176.600 0.151 0.000 1.050 26 K CA 0.986 57.377 56.287 0.173 0.000 0.942 26 K CB -1.006 31.600 32.500 0.176 0.000 0.724 26 K HN 0.343 nan 8.250 nan 0.000 0.446 27 C N 1.225 120.596 119.300 0.117 0.000 2.429 27 C HA -0.067 3.415 4.460 -1.629 0.000 0.277 27 C C 2.634 177.712 174.990 0.147 0.000 1.262 27 C CA 0.349 59.435 59.018 0.112 0.000 1.733 27 C CB -0.953 26.838 27.740 0.085 0.000 2.010 27 C HN 0.374 nan 8.230 nan 0.000 0.483 28 I N 0.211 120.863 120.570 0.136 0.000 2.127 28 I HA -0.256 2.936 4.170 -1.629 0.000 0.241 28 I C 2.724 178.978 176.117 0.228 0.000 1.075 28 I CA 2.319 63.715 61.300 0.160 0.000 1.334 28 I CB -1.006 37.057 38.000 0.105 0.000 1.040 28 I HN 0.581 nan 8.210 nan 0.000 0.405 29 H N 1.584 120.708 119.070 0.091 0.000 2.290 29 H HA -0.196 3.383 4.556 -1.629 0.000 0.298 29 H C 2.426 177.795 175.328 0.070 0.000 1.087 29 H CA 2.162 58.250 56.048 0.066 0.000 1.291 29 H CB 0.024 29.812 29.762 0.044 0.000 1.369 29 H HN 0.261 nan 8.280 nan 0.000 0.492 30 I N 0.085 120.577 120.570 -0.130 0.000 2.163 30 I HA -0.284 2.908 4.170 -1.629 0.000 0.243 30 I C 2.541 178.646 176.117 -0.020 0.000 1.085 30 I CA 1.309 62.513 61.300 -0.160 0.000 1.347 30 I CB -0.543 37.421 38.000 -0.060 0.000 1.044 30 I HN 0.227 nan 8.210 nan 0.000 0.408 31 F N 1.752 121.685 119.950 -0.029 0.000 2.126 31 F HA -0.215 3.334 4.527 -1.629 0.000 0.299 31 F C 2.189 178.002 175.800 0.022 0.000 1.096 31 F CA 1.712 59.717 58.000 0.009 0.000 1.255 31 F CB -0.165 38.858 39.000 0.039 0.000 0.997 31 F HN -0.109 nan 8.300 nan 0.000 0.479 32 L N -0.479 120.779 121.223 0.058 0.000 2.240 32 L HA -0.137 3.225 4.340 -1.629 0.000 0.211 32 L C 2.360 179.179 176.870 -0.086 0.000 1.106 32 L CA 0.622 55.441 54.840 -0.035 0.000 0.793 32 L CB -0.541 41.546 42.059 0.047 0.000 0.927 32 L HN 0.189 nan 8.230 nan 0.000 0.446 33 I N -0.141 120.374 120.570 -0.091 0.000 2.099 33 I HA -0.363 2.829 4.170 -1.629 0.000 0.239 33 I C 2.650 178.668 176.117 -0.164 0.000 1.066 33 I CA 1.621 62.849 61.300 -0.120 0.000 1.324 33 I CB -0.246 37.657 38.000 -0.163 0.000 1.037 33 I HN 0.319 nan 8.210 nan 0.000 0.401 34 Q N -0.662 119.008 119.800 -0.217 0.000 2.084 34 Q HA -0.267 3.096 4.340 -1.629 0.000 0.202 34 Q C 2.273 178.068 176.000 -0.342 0.000 0.978 34 Q CA 1.500 57.142 55.803 -0.268 0.000 0.844 34 Q CB -0.402 28.168 28.738 -0.281 0.000 0.898 34 Q HN 0.559 nan 8.270 nan 0.000 0.426 35 H N 0.730 119.474 119.070 -0.542 0.000 2.290 35 H HA -0.144 3.435 4.556 -1.629 0.000 0.298 35 H C 2.023 177.125 175.328 -0.377 0.000 1.087 35 H CA 1.825 57.567 56.048 -0.509 0.000 1.291 35 H CB -0.079 29.368 29.762 -0.525 0.000 1.369 35 H HN 0.294 nan 8.280 nan 0.000 0.492 36 A N 1.431 124.200 122.820 -0.085 0.000 1.896 36 A HA -0.211 3.132 4.320 -1.629 0.000 0.220 36 A C 2.982 180.436 177.584 -0.217 0.000 1.206 36 A CA 2.014 53.975 52.037 -0.126 0.000 0.647 36 A CB -1.117 17.826 19.000 -0.096 0.000 0.828 36 A HN 0.448 nan 8.150 nan 0.000 0.455 37 L N -0.898 120.187 121.223 -0.230 0.000 1.994 37 L HA -0.162 3.201 4.340 -1.629 0.000 0.208 37 L C 2.565 179.248 176.870 -0.312 0.000 1.071 37 L CA 1.388 56.088 54.840 -0.234 0.000 0.745 37 L CB -0.706 41.229 42.059 -0.206 0.000 0.892 37 L HN 0.275 nan 8.230 nan 0.000 0.431 38 V N 0.425 120.097 119.914 -0.404 0.000 2.427 38 V HA -0.260 2.882 4.120 -1.629 0.000 0.248 38 V C 2.681 178.341 176.094 -0.725 0.000 1.051 38 V CA 1.966 63.970 62.300 -0.494 0.000 1.048 38 V CB -0.802 30.728 31.823 -0.489 0.000 0.666 38 V HN 0.560 nan 8.190 nan 0.000 0.456 39 R N 1.435 121.372 120.500 -0.938 0.000 2.127 39 R HA -0.174 3.188 4.340 -1.629 0.000 0.238 39 R C 1.599 177.528 176.300 -0.618 0.000 1.134 39 R CA 1.531 56.885 56.100 -1.245 0.000 0.975 39 R CB -0.266 29.564 30.300 -0.784 0.000 0.865 39 R HN 0.407 nan 8.270 nan 0.000 0.447 40 K N -0.115 120.061 120.400 -0.373 0.000 2.437 40 K HA 0.180 3.523 4.320 -1.629 0.000 0.198 40 K C 0.725 177.230 176.600 -0.158 0.000 1.024 40 K CA 0.628 56.795 56.287 -0.200 0.000 1.148 40 K CB 0.795 33.205 32.500 -0.151 0.000 0.860 40 K HN 0.500 nan 8.250 nan 0.000 0.515 41 G N 2.107 110.791 108.800 -0.193 0.000 2.131 41 G HA2 -0.285 2.697 3.960 -1.629 0.000 0.223 41 G HA3 -0.285 2.697 3.960 -1.629 0.000 0.223 41 G C -0.165 174.633 174.900 -0.170 0.000 0.990 41 G CA 0.104 45.127 45.100 -0.128 0.000 0.671 41 G HN 0.401 nan 8.290 nan 0.000 0.521 42 E N 1.274 121.343 120.200 -0.218 0.000 2.493 42 E HA 0.392 3.764 4.350 -1.629 0.000 0.255 42 E C 1.726 178.142 176.600 -0.307 0.000 0.999 42 E CA 1.011 57.274 56.400 -0.227 0.000 0.934 42 E CB 0.519 30.083 29.700 -0.227 0.000 0.940 42 E HN 0.547 nan 8.360 nan 0.000 0.473 43 T N 1.447 115.805 114.554 -0.327 0.000 3.051 43 T HA 0.217 3.590 4.350 -1.629 0.000 0.255 43 T C 1.512 175.843 174.700 -0.615 0.000 1.085 43 T CA 0.349 62.110 62.100 -0.565 0.000 1.109 43 T CB -0.138 68.294 68.868 -0.726 0.000 0.921 43 T HN 0.856 nan 8.240 nan 0.000 0.488 44 G N 0.648 109.236 108.800 -0.352 0.000 2.162 44 G HA2 -0.244 2.738 3.960 -1.629 0.000 0.260 44 G HA3 -0.244 2.738 3.960 -1.629 0.000 0.260 44 G C -0.171 174.683 174.900 -0.076 0.000 0.976 44 G CA 0.206 45.178 45.100 -0.213 0.000 0.655 44 G HN 0.583 nan 8.290 nan 0.000 0.533 45 Y N -0.314 119.953 120.300 -0.055 0.000 2.304 45 Y HA 0.608 4.181 4.550 -1.629 0.000 0.327 45 Y C 1.215 177.102 175.900 -0.021 0.000 1.209 45 Y CA -1.299 56.779 58.100 -0.037 0.000 1.299 45 Y CB 0.714 39.157 38.460 -0.027 0.000 1.249 45 Y HN 0.106 nan 8.280 nan 0.000 0.519 46 I N 5.521 126.196 120.570 0.175 0.000 2.503 46 I HA 0.264 3.457 4.170 -1.629 0.000 0.277 46 I C -2.466 173.699 176.117 0.079 0.000 1.078 46 I CA -2.023 59.335 61.300 0.098 0.000 1.184 46 I CB 0.888 38.927 38.000 0.065 0.000 1.353 46 I HN 0.323 nan 8.210 nan 0.000 0.490 47 P HA 0.069 nan 4.420 nan 0.000 0.271 47 P C 0.700 178.044 177.300 0.073 0.000 1.216 47 P CA -0.162 62.969 63.100 0.051 0.000 0.776 47 P CB 1.020 32.751 31.700 0.052 0.000 0.881 48 E N 2.890 123.138 120.200 0.080 0.000 2.147 48 E HA -0.258 3.114 4.350 -1.629 0.000 0.199 48 E C 1.045 177.713 176.600 0.112 0.000 1.005 48 E CA 1.811 58.282 56.400 0.118 0.000 0.810 48 E CB -0.381 29.393 29.700 0.123 0.000 0.736 48 E HN 0.338 nan 8.360 nan 0.000 0.460 49 K N -0.539 119.910 120.400 0.083 0.000 2.525 49 K HA 0.015 3.358 4.320 -1.629 0.000 0.192 49 K C 1.644 178.288 176.600 0.073 0.000 1.029 49 K CA 0.836 57.167 56.287 0.073 0.000 1.029 49 K CB 0.129 32.662 32.500 0.055 0.000 0.814 49 K HN 0.185 nan 8.250 nan 0.000 0.503 50 S N 0.239 115.988 115.700 0.081 0.000 2.535 50 S HA 0.110 3.603 4.470 -1.629 0.000 0.214 50 S C 0.711 175.368 174.600 0.096 0.000 0.980 50 S CA -0.584 57.662 58.200 0.076 0.000 0.907 50 S CB -0.426 62.814 63.200 0.068 0.000 0.790 50 S HN 0.274 nan 8.310 nan 0.000 0.510 51 I N -2.615 118.028 120.570 0.123 0.000 3.074 51 I HA 0.794 3.986 4.170 -1.629 0.000 0.310 51 I C -0.957 175.275 176.117 0.192 0.000 1.153 51 I CA -1.147 60.251 61.300 0.162 0.000 0.993 51 I CB 2.123 40.229 38.000 0.176 0.000 1.237 51 I HN -0.167 nan 8.210 nan 0.000 0.443 52 S N 2.332 118.172 115.700 0.233 0.000 2.536 52 S HA 0.640 4.132 4.470 -1.629 0.000 0.298 52 S C -2.722 172.052 174.600 0.290 0.000 1.083 52 S CA -1.153 57.188 58.200 0.234 0.000 0.995 52 S CB 1.960 65.291 63.200 0.218 0.000 1.058 52 S HN 0.562 nan 8.310 nan 0.000 0.488 53 P HA 0.166 nan 4.420 nan 0.000 0.275 53 P C -0.861 176.568 177.300 0.215 0.000 1.228 53 P CA -0.327 62.878 63.100 0.174 0.000 0.786 53 P CB 0.398 32.062 31.700 -0.059 0.000 0.927 54 V N 4.469 124.479 119.914 0.161 0.000 2.405 54 V HA 0.005 3.148 4.120 -1.629 0.000 0.264 54 V C 1.883 178.204 176.094 0.378 0.000 1.048 54 V CA 0.242 62.635 62.300 0.154 0.000 0.966 54 V CB 0.121 31.960 31.823 0.027 0.000 1.015 54 V HN 0.678 nan 8.190 nan 0.000 0.477 55 E N 3.593 124.010 120.200 0.361 0.000 2.318 55 E HA 0.012 3.384 4.350 -1.629 0.000 0.193 55 E C 0.640 177.494 176.600 0.423 0.000 0.998 55 E CA 0.705 57.287 56.400 0.304 0.000 0.859 55 E CB 0.630 30.451 29.700 0.202 0.000 0.812 55 E HN 0.674 nan 8.360 nan 0.000 0.492 56 S N -0.233 115.731 115.700 0.440 0.000 2.550 56 S HA 0.715 4.207 4.470 -1.629 0.000 0.270 56 S C -0.849 173.811 174.600 0.100 0.000 1.145 56 S CA -0.994 57.419 58.200 0.355 0.000 0.852 56 S CB 1.826 65.172 63.200 0.244 0.000 1.119 56 S HN 0.139 nan 8.310 nan 0.000 0.465 57 L N 0.702 121.903 121.223 -0.038 0.000 2.540 57 L HA 0.603 3.965 4.340 -1.629 0.000 0.256 57 L C -2.779 174.102 176.870 0.019 0.000 1.001 57 L CA -2.235 52.494 54.840 -0.186 0.000 0.843 57 L CB 2.634 44.269 42.059 -0.706 0.000 1.436 57 L HN 0.508 nan 8.230 nan 0.000 0.410 58 P HA 0.238 nan 4.420 nan 0.000 0.271 58 P C -1.213 176.104 177.300 0.028 0.000 1.216 58 P CA 0.149 63.298 63.100 0.081 0.000 0.776 58 P CB 0.330 32.038 31.700 0.012 0.000 0.881 59 F N 1.181 121.087 119.950 -0.074 0.000 2.425 59 F HA 0.207 4.775 4.527 0.069 0.000 0.331 59 F C 1.683 177.418 175.800 -0.109 0.000 1.085 59 F CA -0.687 57.275 58.000 -0.063 0.000 1.028 59 F CB 1.222 40.210 39.000 -0.021 0.000 1.177 59 F HN 0.182 nan 8.300 nan 0.000 0.487 60 L N 1.712 122.938 121.223 0.004 0.000 2.042 60 L HA -0.224 3.139 4.340 -1.629 0.000 0.210 60 L C 2.349 179.200 176.870 -0.031 0.000 1.076 60 L CA 1.885 56.686 54.840 -0.065 0.000 0.749 60 L CB -0.670 41.361 42.059 -0.048 0.000 0.893 60 L HN 0.743 nan 8.230 nan 0.000 0.432 61 Q N -1.118 118.712 119.800 0.050 0.000 2.061 61 Q HA -0.189 3.173 4.340 -1.629 0.000 0.204 61 Q C 2.042 178.044 176.000 0.003 0.000 0.984 61 Q CA 1.689 57.509 55.803 0.030 0.000 0.846 61 Q CB -0.474 28.296 28.738 0.052 0.000 0.902 61 Q HN 0.659 nan 8.270 nan 0.000 0.421 62 G N 1.607 110.418 108.800 0.018 0.000 2.587 62 G HA2 -0.301 2.681 3.960 -1.629 0.000 0.217 62 G HA3 -0.301 2.681 3.960 -1.629 0.000 0.217 62 G C 1.350 176.219 174.900 -0.051 0.000 1.240 62 G CA 1.492 46.588 45.100 -0.006 0.000 0.794 62 G HN 0.589 nan 8.290 nan 0.000 0.580 63 I N -1.302 119.185 120.570 -0.138 0.000 2.830 63 I HA 0.251 3.444 4.170 -1.629 0.000 0.263 63 I C 0.782 176.781 176.117 -0.198 0.000 1.230 63 I CA 0.372 61.510 61.300 -0.270 0.000 1.480 63 I CB -0.088 37.448 38.000 -0.773 0.000 1.095 63 I HN 0.066 nan 8.210 nan 0.000 0.455 64 E N 2.026 122.145 120.200 -0.135 0.000 2.283 64 E HA 0.366 3.738 4.350 -1.629 0.000 0.271 64 E C -0.068 176.520 176.600 -0.020 0.000 1.031 64 E CA -0.250 56.111 56.400 -0.065 0.000 0.868 64 E CB 1.338 30.998 29.700 -0.066 0.000 1.094 64 E HN 0.387 nan 8.360 nan 0.000 0.401 65 T N -1.170 113.382 114.554 -0.003 0.000 2.926 65 T HA 0.422 3.794 4.350 -1.629 0.000 0.289 65 T C -0.119 174.579 174.700 -0.003 0.000 1.054 65 T CA -1.111 60.990 62.100 0.002 0.000 1.015 65 T CB 1.335 70.212 68.868 0.013 0.000 1.167 65 T HN 0.180 nan 8.240 nan 0.000 0.526 66 K N 0.312 120.711 120.400 -0.002 0.000 2.276 66 K HA 0.527 3.870 4.320 -1.629 0.000 0.259 66 K C 0.719 177.317 176.600 -0.004 0.000 1.001 66 K CA 0.537 56.822 56.287 -0.004 0.000 0.927 66 K CB 0.069 32.568 32.500 -0.002 0.000 0.969 66 K HN 1.228 nan 8.250 nan 0.000 0.490 67 G N 1.386 110.181 108.800 -0.007 0.000 2.705 67 G HA2 -0.183 2.799 3.960 -1.629 0.000 0.686 67 G HA3 -0.183 2.799 3.960 -1.629 0.000 0.686 67 G C -1.228 173.664 174.900 -0.014 0.000 1.285 67 G CA -0.825 44.270 45.100 -0.009 0.000 0.800 67 G HN 0.558 nan 8.290 nan 0.000 0.611 68 E N -0.000 120.189 120.200 -0.017 0.000 2.317 68 E HA 0.423 3.796 4.350 -1.629 0.000 0.270 68 E C -0.462 176.123 176.600 -0.025 0.000 0.885 68 E CA -1.125 55.261 56.400 -0.024 0.000 0.760 68 E CB 1.706 31.392 29.700 -0.023 0.000 1.227 68 E HN 0.363 nan 8.360 nan 0.000 0.434 69 N N 1.348 120.025 118.700 -0.039 0.000 2.645 69 N HA 0.082 3.844 4.740 -1.629 0.000 0.233 69 N C 0.076 175.561 175.510 -0.042 0.000 1.058 69 N CA 0.103 53.128 53.050 -0.043 0.000 0.942 69 N CB 0.614 39.061 38.487 -0.067 0.000 1.210 69 N HN 0.386 nan 8.380 nan 0.000 0.512 70 T N 0.979 115.521 114.554 -0.020 0.000 2.849 70 T HA -0.142 3.230 4.350 -1.629 0.000 0.270 70 T C 1.827 176.530 174.700 0.006 0.000 1.066 70 T CA 1.417 63.517 62.100 -0.001 0.000 1.130 70 T CB -0.061 68.809 68.868 0.002 0.000 0.864 70 T HN 0.582 nan 8.240 nan 0.000 0.481 71 A N 1.418 124.230 122.820 -0.012 0.000 1.948 71 A HA -0.076 3.267 4.320 -1.629 0.000 0.220 71 A C 2.274 179.847 177.584 -0.018 0.000 1.177 71 A CA 1.337 53.365 52.037 -0.015 0.000 0.636 71 A CB -0.854 18.131 19.000 -0.026 0.000 0.815 71 A HN 0.511 nan 8.150 nan 0.000 0.449 72 L N -1.395 119.789 121.223 -0.065 0.000 2.056 72 L HA -0.135 3.228 4.340 -1.629 0.000 0.207 72 L C 2.511 179.409 176.870 0.046 0.000 1.078 72 L CA 1.041 55.834 54.840 -0.078 0.000 0.749 72 L CB -0.486 41.418 42.059 -0.258 0.000 0.901 72 L HN 0.465 nan 8.230 nan 0.000 0.433 73 L N 0.021 121.283 121.223 0.065 0.000 2.079 73 L HA -0.188 3.174 4.340 -1.629 0.000 0.210 73 L C 2.648 179.647 176.870 0.215 0.000 1.081 73 L CA 1.667 56.607 54.840 0.167 0.000 0.752 73 L CB -0.515 41.642 42.059 0.163 0.000 0.896 73 L HN 0.097 nan 8.230 nan 0.000 0.433 74 R N -0.811 119.783 120.500 0.157 0.000 2.193 74 R HA -0.143 3.219 4.340 -1.629 0.000 0.229 74 R C 1.850 178.281 176.300 0.218 0.000 1.110 74 R CA 1.324 57.523 56.100 0.166 0.000 0.988 74 R CB -0.236 30.108 30.300 0.074 0.000 0.871 74 R HN 0.602 nan 8.270 nan 0.000 0.458 75 Q N -0.501 119.442 119.800 0.238 0.000 2.360 75 Q HA 0.195 3.557 4.340 -1.629 0.000 0.202 75 Q C -0.117 176.205 176.000 0.536 0.000 0.915 75 Q CA -0.196 55.806 55.803 0.332 0.000 0.943 75 Q CB 1.042 29.947 28.738 0.279 0.000 1.064 75 Q HN 0.180 nan 8.270 nan 0.000 0.511 76 A N 0.447 123.543 122.820 0.460 0.000 2.295 76 A HA 0.635 3.978 4.320 -1.629 0.000 0.318 76 A C -0.606 177.088 177.584 0.183 0.000 1.134 76 A CA -0.366 51.907 52.037 0.393 0.000 0.827 76 A CB 1.161 20.409 19.000 0.412 0.000 1.136 76 A HN 0.061 nan 8.150 nan 0.000 0.493 77 V N 1.480 121.441 119.914 0.079 0.000 2.888 77 V HA 0.445 3.588 4.120 -1.629 0.000 0.309 77 V C -0.717 175.337 176.094 -0.067 0.000 1.114 77 V CA -0.510 61.734 62.300 -0.093 0.000 0.940 77 V CB 2.116 33.827 31.823 -0.186 0.000 1.021 77 V HN 0.721 nan 8.190 nan 0.000 0.426 78 V N 4.845 124.717 119.914 -0.069 0.000 2.513 78 V HA 0.599 3.741 4.120 -1.629 0.000 0.299 78 V C -0.698 175.286 176.094 -0.183 0.000 1.035 78 V CA -0.613 61.652 62.300 -0.057 0.000 0.889 78 V CB 1.668 33.547 31.823 0.092 0.000 0.988 78 V HN 0.617 nan 8.190 nan 0.000 0.440 79 L N 5.299 126.360 121.223 -0.271 0.000 2.381 79 L HA 0.647 4.009 4.340 -1.629 0.000 0.274 79 L C -0.537 176.121 176.870 -0.353 0.000 0.988 79 L CA -0.314 54.304 54.840 -0.370 0.000 0.824 79 L CB 1.667 43.541 42.059 -0.308 0.000 1.263 79 L HN 0.427 nan 8.230 nan 0.000 0.410 80 K N 5.473 125.652 120.400 -0.368 0.000 2.265 80 K HA 0.469 3.811 4.320 -1.629 0.000 0.267 80 K C -0.936 175.533 176.600 -0.218 0.000 0.994 80 K CA -0.599 55.556 56.287 -0.220 0.000 0.860 80 K CB 1.402 33.880 32.500 -0.037 0.000 1.099 80 K HN 0.676 nan 8.250 nan 0.000 0.448 81 L N 2.840 123.943 121.223 -0.200 0.000 2.453 81 L HA 0.058 3.420 4.340 -1.629 0.000 0.272 81 L C 0.932 177.730 176.870 -0.119 0.000 1.182 81 L CA 0.173 54.917 54.840 -0.160 0.000 0.858 81 L CB 0.009 41.970 42.059 -0.163 0.000 1.120 81 L HN 0.629 nan 8.230 nan 0.000 0.474 82 N N 0.560 119.203 118.700 -0.096 0.000 2.361 82 N HA 0.141 3.903 4.740 -1.629 0.000 0.253 82 N C 0.601 176.070 175.510 -0.068 0.000 1.413 82 N CA 0.371 53.375 53.050 -0.076 0.000 0.821 82 N CB 0.778 39.235 38.487 -0.050 0.000 1.380 82 N HN 0.611 nan 8.380 nan 0.000 0.493 83 G N -1.327 107.435 108.800 -0.063 0.000 2.939 83 G HA2 0.279 3.262 3.960 -1.629 0.000 0.216 83 G HA3 0.279 3.262 3.960 -1.629 0.000 0.216 83 G C 0.682 175.538 174.900 -0.072 0.000 1.125 83 G CA 0.130 45.193 45.100 -0.061 0.000 0.766 83 G HN 0.281 nan 8.290 nan 0.000 0.541 84 G N -0.149 108.615 108.800 -0.060 0.000 2.599 84 G HA2 0.419 3.401 3.960 -1.629 0.000 0.264 84 G HA3 0.419 3.401 3.960 -1.629 0.000 0.264 84 G C 0.651 175.499 174.900 -0.088 0.000 1.200 84 G CA -0.565 44.502 45.100 -0.055 0.000 0.896 84 G HN 0.161 nan 8.290 nan 0.000 0.536 85 L N 0.443 121.621 121.223 -0.075 0.000 2.590 85 L HA 0.284 3.646 4.340 -1.629 0.000 0.227 85 L C 1.888 178.722 176.870 -0.060 0.000 1.099 85 L CA 0.391 55.179 54.840 -0.086 0.000 0.872 85 L CB 0.042 42.056 42.059 -0.074 0.000 1.088 85 L HN 0.845 nan 8.230 nan 0.000 0.479 86 G N 1.397 110.166 108.800 -0.051 0.000 2.273 86 G HA2 -0.338 2.645 3.960 -1.629 0.000 0.280 86 G HA3 -0.338 2.645 3.960 -1.629 0.000 0.280 86 G C 0.941 175.827 174.900 -0.024 0.000 1.047 86 G CA 0.729 45.802 45.100 -0.045 0.000 0.869 86 G HN 0.429 nan 8.290 nan 0.000 0.502 87 T N -3.219 111.326 114.554 -0.016 0.000 2.904 87 T HA 0.105 3.477 4.350 -1.629 0.000 0.267 87 T C 2.569 177.269 174.700 -0.001 0.000 1.059 87 T CA 1.530 63.626 62.100 -0.006 0.000 1.137 87 T CB -0.412 68.454 68.868 -0.003 0.000 0.879 87 T HN 1.225 nan 8.240 nan 0.000 0.467 88 G N 1.564 110.363 108.800 -0.002 0.000 2.503 88 G HA2 -0.171 2.811 3.960 -1.629 0.000 0.221 88 G HA3 -0.171 2.811 3.960 -1.629 0.000 0.221 88 G C 1.418 176.320 174.900 0.003 0.000 1.131 88 G CA 0.955 46.057 45.100 0.002 0.000 0.756 88 G HN 0.568 nan 8.290 nan 0.000 0.572 89 M N 0.357 119.955 119.600 -0.003 0.000 2.453 89 M HA 0.304 3.806 4.480 -1.629 0.000 0.239 89 M C 1.451 177.767 176.300 0.026 0.000 1.151 89 M CA 0.522 55.825 55.300 0.005 0.000 0.989 89 M CB 0.754 33.345 32.600 -0.015 0.000 1.548 89 M HN 0.281 nan 8.290 nan 0.000 0.479 90 G N 1.597 110.409 108.800 0.020 0.000 2.182 90 G HA2 -0.217 2.766 3.960 -1.629 0.000 0.248 90 G HA3 -0.217 2.766 3.960 -1.629 0.000 0.248 90 G C -0.253 174.664 174.900 0.028 0.000 1.042 90 G CA -0.216 44.901 45.100 0.027 0.000 0.775 90 G HN 0.419 nan 8.290 nan 0.000 0.501 91 L N -0.785 120.447 121.223 0.014 0.000 2.344 91 L HA 0.575 3.938 4.340 -1.629 0.000 0.272 91 L C 0.653 177.523 176.870 -0.000 0.000 1.035 91 L CA -1.065 53.781 54.840 0.010 0.000 0.807 91 L CB 1.560 43.617 42.059 -0.003 0.000 1.237 91 L HN 0.082 nan 8.230 nan 0.000 0.442 92 N N 0.848 119.549 118.700 0.001 0.000 2.699 92 N HA 0.481 4.243 4.740 -1.629 0.000 0.317 92 N C -0.458 175.030 175.510 -0.036 0.000 1.661 92 N CA 0.067 53.112 53.050 -0.009 0.000 0.979 92 N CB 0.720 39.218 38.487 0.017 0.000 1.329 92 N HN 0.850 nan 8.380 nan 0.000 0.497 93 G N 0.091 108.858 108.800 -0.055 0.000 2.323 93 G HA2 0.146 3.129 3.960 -1.629 0.000 0.291 93 G HA3 0.146 3.129 3.960 -1.629 0.000 0.291 93 G C -3.195 171.662 174.900 -0.071 0.000 1.278 93 G CA -0.786 44.270 45.100 -0.072 0.000 0.860 93 G HN 0.012 nan 8.290 nan 0.000 0.504 94 P HA 0.196 nan 4.420 nan 0.000 0.276 94 P C 0.407 177.661 177.300 -0.078 0.000 1.264 94 P CA 0.005 63.059 63.100 -0.077 0.000 0.769 94 P CB 1.598 33.260 31.700 -0.063 0.000 0.840 95 K N 3.155 123.488 120.400 -0.113 0.000 2.280 95 K HA -0.129 3.213 4.320 -1.629 0.000 0.202 95 K C 1.674 178.176 176.600 -0.164 0.000 1.047 95 K CA 1.667 57.868 56.287 -0.142 0.000 0.942 95 K CB -0.092 32.269 32.500 -0.231 0.000 0.739 95 K HN 0.462 nan 8.250 nan 0.000 0.457 96 S N 0.457 116.054 115.700 -0.171 0.000 2.442 96 S HA -0.093 3.400 4.470 -1.629 0.000 0.236 96 S C 1.682 176.290 174.600 0.013 0.000 1.007 96 S CA 0.696 58.855 58.200 -0.069 0.000 0.965 96 S CB -0.301 62.857 63.200 -0.069 0.000 0.773 96 S HN 0.344 nan 8.310 nan 0.000 0.504 97 L N 0.517 121.697 121.223 -0.072 0.000 2.591 97 L HA 0.286 3.648 4.340 -1.629 0.000 0.228 97 L C -0.037 176.836 176.870 0.004 0.000 1.133 97 L CA -0.326 54.423 54.840 -0.152 0.000 0.880 97 L CB -0.394 41.585 42.059 -0.133 0.000 1.033 97 L HN 0.250 nan 8.230 nan 0.000 0.450 98 L N 0.652 121.955 121.223 0.134 0.000 2.453 98 L HA 0.051 3.414 4.340 -1.629 0.000 0.272 98 L C 0.678 177.642 176.870 0.156 0.000 1.182 98 L CA 0.605 55.560 54.840 0.193 0.000 0.858 98 L CB 0.375 42.612 42.059 0.297 0.000 1.120 98 L HN 0.151 nan 8.230 nan 0.000 0.474 99 Q N 1.770 121.631 119.800 0.102 0.000 2.364 99 Q HA 0.152 3.515 4.340 -1.629 0.000 0.267 99 Q C 0.285 176.284 176.000 -0.002 0.000 0.999 99 Q CA -0.200 55.638 55.803 0.058 0.000 0.886 99 Q CB 1.530 30.309 28.738 0.068 0.000 1.243 99 Q HN 0.551 nan 8.270 nan 0.000 0.415 100 V N 1.746 121.634 119.914 -0.044 0.000 2.950 100 V HA 0.152 3.295 4.120 -1.629 0.000 0.231 100 V C -0.103 175.987 176.094 -0.006 0.000 1.205 100 V CA 0.797 63.009 62.300 -0.147 0.000 1.239 100 V CB 0.607 32.195 31.823 -0.393 0.000 1.050 100 V HN 0.623 nan 8.190 nan 0.000 0.498 101 K N 0.082 120.567 120.400 0.142 0.000 2.527 101 K HA 0.402 3.744 4.320 -1.629 0.000 0.260 101 K C -0.683 175.999 176.600 0.137 0.000 0.937 101 K CA -0.363 56.010 56.287 0.143 0.000 0.826 101 K CB 1.972 34.585 32.500 0.188 0.000 1.359 101 K HN 0.335 nan 8.250 nan 0.000 0.434 102 N N 0.516 119.264 118.700 0.081 0.000 2.708 102 N HA -0.254 3.509 4.740 -1.629 0.000 0.251 102 N C 0.518 176.042 175.510 0.023 0.000 1.123 102 N CA 0.616 53.695 53.050 0.049 0.000 0.739 102 N CB -0.901 37.619 38.487 0.054 0.000 1.113 102 N HN 1.073 nan 8.380 nan 0.000 0.561 103 G N -1.345 107.474 108.800 0.032 0.000 2.155 103 G HA2 -0.371 2.611 3.960 -1.629 0.000 0.257 103 G HA3 -0.371 2.611 3.960 -1.629 0.000 0.257 103 G C -0.242 174.674 174.900 0.026 0.000 0.983 103 G CA 0.508 45.627 45.100 0.031 0.000 0.676 103 G HN 0.414 nan 8.290 nan 0.000 0.528 104 Q N 1.262 121.056 119.800 -0.010 0.000 2.274 104 Q HA 0.486 3.849 4.340 -1.629 0.000 0.256 104 Q C 0.966 176.964 176.000 -0.003 0.000 0.927 104 Q CA 0.473 56.215 55.803 -0.102 0.000 0.939 104 Q CB 1.388 29.813 28.738 -0.523 0.000 1.201 104 Q HN 0.632 nan 8.270 nan 0.000 0.426 105 T N -2.138 112.436 114.554 0.034 0.000 2.771 105 T HA 0.316 3.689 4.350 -1.629 0.000 0.290 105 T C 1.097 175.853 174.700 0.094 0.000 1.005 105 T CA -0.412 61.708 62.100 0.034 0.000 0.944 105 T CB 0.283 69.102 68.868 -0.082 0.000 1.147 105 T HN 0.381 nan 8.240 nan 0.000 0.534 106 F N -0.325 119.664 119.950 0.065 0.000 2.171 106 F HA 0.062 3.611 4.527 -1.631 0.000 0.300 106 F C 2.166 178.012 175.800 0.078 0.000 1.090 106 F CA 0.696 58.758 58.000 0.103 0.000 1.293 106 F CB -0.427 38.579 39.000 0.010 0.000 1.013 106 F HN 0.314 nan 8.300 nan 0.000 0.486 107 L N -0.115 121.184 121.223 0.127 0.000 2.179 107 L HA -0.114 3.248 4.340 -1.629 0.000 0.208 107 L C 1.911 178.849 176.870 0.112 0.000 1.096 107 L CA 1.594 56.469 54.840 0.057 0.000 0.779 107 L CB -0.927 41.045 42.059 -0.144 0.000 0.922 107 L HN -0.014 nan 8.230 nan 0.000 0.443 108 D N -0.458 120.039 120.400 0.162 0.000 2.103 108 D HA -0.262 3.401 4.640 -1.629 0.000 0.190 108 D C 2.122 178.372 176.300 -0.084 0.000 0.997 108 D CA 1.843 55.924 54.000 0.136 0.000 0.833 108 D CB -0.290 40.527 40.800 0.028 0.000 0.961 108 D HN 0.304 nan 8.370 nan 0.000 0.447 109 F N 1.353 121.330 119.950 0.044 0.000 2.120 109 F HA -0.183 3.368 4.527 -1.627 0.000 0.300 109 F C 2.799 178.587 175.800 -0.019 0.000 1.095 109 F CA 1.095 59.098 58.000 0.004 0.000 1.249 109 F CB -1.027 37.963 39.000 -0.017 0.000 0.995 109 F HN -0.068 nan 8.300 nan 0.000 0.480 110 T N -0.314 114.333 114.554 0.155 0.000 2.708 110 T HA -0.169 3.204 4.350 -1.629 0.000 0.266 110 T C 2.300 176.901 174.700 -0.165 0.000 1.037 110 T CA 1.374 63.504 62.100 0.049 0.000 1.146 110 T CB -0.694 68.253 68.868 0.131 0.000 0.865 110 T HN 0.295 nan 8.240 nan 0.000 0.435 111 A N 0.981 123.641 122.820 -0.267 0.000 1.933 111 A HA 0.036 3.379 4.320 -1.629 0.000 0.218 111 A C 2.285 179.629 177.584 -0.399 0.000 1.175 111 A CA 1.171 52.891 52.037 -0.529 0.000 0.628 111 A CB -0.756 17.588 19.000 -1.093 0.000 0.814 111 A HN 0.474 nan 8.150 nan 0.000 0.444 112 L N -1.238 119.842 121.223 -0.238 0.000 2.109 112 L HA -0.181 3.181 4.340 -1.629 0.000 0.207 112 L C 2.842 179.729 176.870 0.028 0.000 1.086 112 L CA 1.165 55.966 54.840 -0.065 0.000 0.760 112 L CB -0.519 41.534 42.059 -0.011 0.000 0.910 112 L HN 0.459 nan 8.230 nan 0.000 0.437 113 Q N -0.263 119.558 119.800 0.036 0.000 2.096 113 Q HA -0.259 3.103 4.340 -1.629 0.000 0.204 113 Q C 2.223 178.278 176.000 0.091 0.000 0.982 113 Q CA 1.622 57.478 55.803 0.089 0.000 0.850 113 Q CB -0.213 28.573 28.738 0.080 0.000 0.901 113 Q HN 0.333 nan 8.270 nan 0.000 0.422 114 L N 0.944 122.124 121.223 -0.073 0.000 2.027 114 L HA -0.170 3.193 4.340 -1.629 0.000 0.206 114 L C 2.259 179.136 176.870 0.011 0.000 1.074 114 L CA 1.835 56.597 54.840 -0.129 0.000 0.745 114 L CB -0.453 41.312 42.059 -0.490 0.000 0.898 114 L HN 0.200 nan 8.230 nan 0.000 0.433 115 E N -1.208 118.980 120.200 -0.020 0.000 2.077 115 E HA -0.344 3.029 4.350 -1.629 0.000 0.193 115 E C 2.165 178.822 176.600 0.095 0.000 0.989 115 E CA 1.642 58.060 56.400 0.031 0.000 0.800 115 E CB -0.223 29.486 29.700 0.016 0.000 0.746 115 E HN 0.772 nan 8.360 nan 0.000 0.452 116 H N -0.753 118.353 119.070 0.059 0.000 2.353 116 H HA -0.134 3.444 4.556 -1.629 0.000 0.300 116 H C 1.897 177.278 175.328 0.089 0.000 1.090 116 H CA 2.099 58.189 56.048 0.069 0.000 1.327 116 H CB -0.390 29.417 29.762 0.075 0.000 1.383 116 H HN 0.202 nan 8.280 nan 0.000 0.508 117 F N 1.049 121.059 119.950 0.101 0.000 2.046 117 F HA -0.193 3.355 4.527 -1.631 0.000 0.297 117 F C 2.542 178.339 175.800 -0.004 0.000 1.123 117 F CA 1.795 59.829 58.000 0.056 0.000 1.199 117 F CB -0.177 38.859 39.000 0.061 0.000 0.972 117 F HN 0.037 nan 8.300 nan 0.000 0.474 118 R N -0.202 120.457 120.500 0.265 0.000 2.091 118 R HA -0.198 3.165 4.340 -1.629 0.000 0.238 118 R C 2.307 178.615 176.300 0.013 0.000 1.136 118 R CA 1.675 57.862 56.100 0.146 0.000 0.959 118 R CB -0.534 29.843 30.300 0.128 0.000 0.856 118 R HN 0.411 nan 8.270 nan 0.000 0.437 119 Q N 0.261 120.039 119.800 -0.038 0.000 1.942 119 Q HA -0.131 3.231 4.340 -1.629 0.000 0.203 119 Q C 2.378 178.288 176.000 -0.150 0.000 0.987 119 Q CA 1.518 57.266 55.803 -0.091 0.000 0.844 119 Q CB -0.619 28.049 28.738 -0.118 0.000 0.911 119 Q HN 0.195 nan 8.270 nan 0.000 0.423 120 V N 1.246 121.000 119.914 -0.266 0.000 2.324 120 V HA -0.274 2.869 4.120 -1.629 0.000 0.250 120 V C 2.209 178.179 176.094 -0.205 0.000 1.060 120 V CA 1.997 64.133 62.300 -0.273 0.000 1.042 120 V CB -0.420 31.180 31.823 -0.372 0.000 0.650 120 V HN 0.321 nan 8.190 nan 0.000 0.450 121 R N -0.433 119.922 120.500 -0.240 0.000 2.317 121 R HA 0.109 3.471 4.340 -1.629 0.000 0.208 121 R C 0.817 177.059 176.300 -0.096 0.000 0.914 121 R CA 0.162 56.138 56.100 -0.206 0.000 1.060 121 R CB -0.171 29.918 30.300 -0.352 0.000 1.015 121 R HN 0.532 nan 8.270 nan 0.000 0.498 122 N N 0.823 119.481 118.700 -0.069 0.000 2.686 122 N HA -0.214 3.548 4.740 -1.629 0.000 0.261 122 N C -1.742 173.777 175.510 0.015 0.000 1.001 122 N CA 0.662 53.700 53.050 -0.021 0.000 0.764 122 N CB -1.190 37.285 38.487 -0.020 0.000 0.898 122 N HN 0.317 nan 8.380 nan 0.000 0.544 123 C N 2.188 121.516 119.300 0.046 0.000 2.599 123 C HA 0.434 3.916 4.460 -1.629 0.000 0.354 123 C C 0.252 175.332 174.990 0.150 0.000 1.092 123 C CA -1.204 57.875 59.018 0.102 0.000 1.280 123 C CB 0.484 28.297 27.740 0.121 0.000 1.829 123 C HN 0.543 nan 8.230 nan 0.000 0.454 124 N N 4.069 122.852 118.700 0.138 0.000 3.193 124 N HA 0.076 3.838 4.740 -1.629 0.000 0.312 124 N C 0.056 175.660 175.510 0.158 0.000 1.261 124 N CA 0.191 53.323 53.050 0.138 0.000 1.208 124 N CB 0.268 38.825 38.487 0.117 0.000 1.471 124 N HN 0.690 nan 8.380 nan 0.000 0.548 125 V N 2.743 122.766 119.914 0.181 0.000 2.557 125 V HA 0.137 3.280 4.120 -1.629 0.000 0.301 125 V C -1.955 174.182 176.094 0.071 0.000 1.026 125 V CA -1.271 61.115 62.300 0.144 0.000 1.137 125 V CB 0.289 32.202 31.823 0.150 0.000 0.917 125 V HN 0.448 nan 8.190 nan 0.000 0.484 126 P HA 0.196 nan 4.420 nan 0.000 0.267 126 P C -1.253 176.072 177.300 0.041 0.000 1.200 126 P CA 0.273 63.337 63.100 -0.060 0.000 0.772 126 P CB 0.265 31.768 31.700 -0.329 0.000 0.855 127 F N 3.475 123.367 119.950 -0.096 0.000 2.569 127 F HA 0.646 4.195 4.527 -1.630 0.000 0.312 127 F C -1.215 174.531 175.800 -0.090 0.000 1.109 127 F CA -0.736 57.210 58.000 -0.090 0.000 0.919 127 F CB 1.415 40.381 39.000 -0.057 0.000 1.211 127 F HN 0.155 nan 8.300 nan 0.000 0.446 128 M N 6.208 125.245 119.600 -0.938 0.000 2.531 128 M HA 0.535 4.038 4.480 -1.629 0.000 0.286 128 M C -1.861 173.870 176.300 -0.948 0.000 1.232 128 M CA -0.782 54.079 55.300 -0.731 0.000 0.877 128 M CB 2.909 35.265 32.600 -0.406 0.000 1.726 128 M HN 0.519 nan 8.290 nan 0.000 0.463 129 L N 2.122 122.995 121.223 -0.584 0.000 2.376 129 L HA 0.566 3.929 4.340 -1.629 0.000 0.275 129 L C -0.816 175.900 176.870 -0.256 0.000 0.987 129 L CA -0.332 54.278 54.840 -0.385 0.000 0.828 129 L CB 2.164 44.113 42.059 -0.184 0.000 1.249 129 L HN 0.718 nan 8.230 nan 0.000 0.409 130 M N 4.491 123.966 119.600 -0.209 0.000 2.108 130 M HA 0.298 3.800 4.480 -1.629 0.000 0.347 130 M C -0.912 175.331 176.300 -0.095 0.000 1.326 130 M CA -0.061 55.150 55.300 -0.149 0.000 1.126 130 M CB 0.065 32.582 32.600 -0.139 0.000 1.606 130 M HN 0.519 nan 8.290 nan 0.000 0.462 131 N N 2.196 120.854 118.700 -0.070 0.000 2.443 131 N HA 0.523 4.285 4.740 -1.629 0.000 0.293 131 N C -0.827 174.670 175.510 -0.022 0.000 1.159 131 N CA -0.482 52.551 53.050 -0.027 0.000 0.904 131 N CB 1.863 40.370 38.487 0.033 0.000 1.214 131 N HN 0.705 nan 8.380 nan 0.000 0.513 132 S N -0.645 115.033 115.700 -0.036 0.000 2.766 132 S HA 0.409 3.902 4.470 -1.629 0.000 0.307 132 S C 1.131 175.714 174.600 -0.029 0.000 1.121 132 S CA -0.790 57.398 58.200 -0.020 0.000 0.980 132 S CB 0.302 63.441 63.200 -0.102 0.000 1.159 132 S HN 0.539 nan 8.310 nan 0.000 0.546 133 F N 0.204 120.131 119.950 -0.039 0.000 2.192 133 F HA 0.015 3.565 4.527 -1.629 0.000 0.301 133 F C 1.878 177.665 175.800 -0.021 0.000 1.079 133 F CA 1.344 59.312 58.000 -0.054 0.000 1.303 133 F CB -1.020 37.908 39.000 -0.120 0.000 1.024 133 F HN 0.404 nan 8.300 nan 0.000 0.494 134 S N -0.339 114.898 115.700 -0.771 0.000 2.496 134 S HA -0.055 3.437 4.470 -1.629 0.000 0.224 134 S C 1.880 176.340 174.600 -0.234 0.000 0.996 134 S CA 1.123 58.990 58.200 -0.554 0.000 0.927 134 S CB -0.361 62.409 63.200 -0.716 0.000 0.774 134 S HN 0.736 nan 8.310 nan 0.000 0.524 135 T N -2.284 112.168 114.554 -0.170 0.000 2.955 135 T HA 0.199 3.572 4.350 -1.629 0.000 0.251 135 T C 1.710 176.413 174.700 0.004 0.000 1.002 135 T CA 0.674 62.729 62.100 -0.075 0.000 0.970 135 T CB -0.127 68.697 68.868 -0.073 0.000 1.091 135 T HN 0.146 nan 8.240 nan 0.000 0.495 136 S N 1.455 117.172 115.700 0.030 0.000 2.353 136 S HA 0.019 3.512 4.470 -1.629 0.000 0.222 136 S C 2.325 176.988 174.600 0.105 0.000 1.035 136 S CA 2.051 60.323 58.200 0.121 0.000 1.025 136 S CB -1.268 62.005 63.200 0.122 0.000 0.902 136 S HN 0.715 nan 8.310 nan 0.000 0.440 137 G N 0.687 109.521 108.800 0.058 0.000 2.433 137 G HA2 -0.167 2.815 3.960 -1.629 0.000 0.216 137 G HA3 -0.167 2.815 3.960 -1.629 0.000 0.216 137 G C 1.412 176.323 174.900 0.019 0.000 1.186 137 G CA 0.851 45.971 45.100 0.033 0.000 0.779 137 G HN 0.631 nan 8.290 nan 0.000 0.543 138 E N -0.188 120.030 120.200 0.029 0.000 2.077 138 E HA -0.114 3.258 4.350 -1.629 0.000 0.193 138 E C 2.803 179.449 176.600 0.076 0.000 0.989 138 E CA 1.466 57.894 56.400 0.047 0.000 0.800 138 E CB -0.186 29.534 29.700 0.034 0.000 0.746 138 E HN 0.358 nan 8.360 nan 0.000 0.452 139 T N 1.088 115.677 114.554 0.060 0.000 2.708 139 T HA -0.175 3.198 4.350 -1.629 0.000 0.266 139 T C 1.853 176.550 174.700 -0.004 0.000 1.037 139 T CA 1.390 63.546 62.100 0.093 0.000 1.146 139 T CB -0.124 68.831 68.868 0.146 0.000 0.865 139 T HN 0.114 nan 8.240 nan 0.000 0.435 140 K N 0.925 121.169 120.400 -0.260 0.000 2.032 140 K HA -0.171 3.172 4.320 -1.629 0.000 0.209 140 K C 2.267 178.791 176.600 -0.127 0.000 1.048 140 K CA 1.772 57.653 56.287 -0.676 0.000 0.927 140 K CB -0.169 31.915 32.500 -0.694 0.000 0.712 140 K HN 0.150 nan 8.250 nan 0.000 0.441 141 N N -0.375 118.318 118.700 -0.012 0.000 2.188 141 N HA -0.142 3.621 4.740 -1.629 0.000 0.184 141 N C 1.532 177.048 175.510 0.009 0.000 1.018 141 N CA 0.988 54.049 53.050 0.018 0.000 0.858 141 N CB -0.187 38.309 38.487 0.015 0.000 0.989 141 N HN 0.205 nan 8.380 nan 0.000 0.426 142 F N 1.009 120.942 119.950 -0.028 0.000 2.091 142 F HA -0.089 3.461 4.527 -1.629 0.000 0.299 142 F C 1.512 177.332 175.800 0.033 0.000 1.103 142 F CA 1.274 59.277 58.000 0.005 0.000 1.228 142 F CB -0.180 38.849 39.000 0.049 0.000 0.984 142 F HN 0.040 nan 8.300 nan 0.000 0.477 143 L N 0.172 121.531 121.223 0.225 0.000 2.633 143 L HA -0.094 3.269 4.340 -1.629 0.000 0.235 143 L C 2.264 179.182 176.870 0.080 0.000 1.163 143 L CA 0.400 55.398 54.840 0.263 0.000 0.859 143 L CB -0.624 41.659 42.059 0.373 0.000 0.973 143 L HN 0.119 nan 8.230 nan 0.000 0.451 144 R N 0.517 120.880 120.500 -0.227 0.000 2.117 144 R HA -0.235 3.128 4.340 -1.629 0.000 0.243 144 R C 2.225 178.293 176.300 -0.388 0.000 1.143 144 R CA 1.422 57.187 56.100 -0.558 0.000 0.968 144 R CB -0.262 29.675 30.300 -0.605 0.000 0.863 144 R HN 0.303 nan 8.270 nan 0.000 0.444 145 K N 0.183 120.314 120.400 -0.448 0.000 2.218 145 K HA -0.161 3.181 4.320 -1.629 0.000 0.205 145 K C -0.213 176.004 176.600 -0.639 0.000 1.046 145 K CA 1.247 57.174 56.287 -0.599 0.000 0.933 145 K CB 0.098 32.068 32.500 -0.883 0.000 0.728 145 K HN 0.134 nan 8.250 nan 0.000 0.454 146 Y N 0.112 120.363 120.300 -0.082 0.000 2.944 146 Y HA 0.257 3.830 4.550 -1.628 0.000 0.335 146 Y C -2.023 173.923 175.900 0.075 0.000 1.075 146 Y CA -2.681 55.426 58.100 0.011 0.000 1.240 146 Y CB 1.338 39.833 38.460 0.058 0.000 1.167 146 Y HN 0.088 nan 8.280 nan 0.000 0.555 147 P HA -0.182 nan 4.420 nan 0.000 0.217 147 P C 1.540 178.958 177.300 0.197 0.000 1.148 147 P CA 1.858 65.053 63.100 0.158 0.000 0.828 147 P CB 0.313 32.057 31.700 0.074 0.000 0.783 148 T N -0.592 114.070 114.554 0.180 0.000 2.699 148 T HA -0.139 3.233 4.350 -1.629 0.000 0.268 148 T C 1.646 176.454 174.700 0.180 0.000 1.036 148 T CA 1.221 63.414 62.100 0.155 0.000 1.147 148 T CB -0.739 68.206 68.868 0.129 0.000 0.862 148 T HN 0.111 nan 8.240 nan 0.000 0.446 149 L N -1.208 120.156 121.223 0.236 0.000 2.102 149 L HA 0.095 3.457 4.340 -1.629 0.000 0.202 149 L C 2.336 179.399 176.870 0.322 0.000 1.076 149 L CA 0.999 56.006 54.840 0.279 0.000 0.761 149 L CB -0.650 41.596 42.059 0.312 0.000 0.921 149 L HN 0.163 nan 8.230 nan 0.000 0.444 150 Y N 1.732 122.157 120.300 0.207 0.000 2.128 150 Y HA -0.292 3.281 4.550 -1.629 0.000 0.284 150 Y C 2.402 178.399 175.900 0.161 0.000 1.154 150 Y CA 1.853 60.049 58.100 0.160 0.000 1.149 150 Y CB -0.121 38.375 38.460 0.061 0.000 0.976 150 Y HN 0.199 nan 8.280 nan 0.000 0.505 151 E N -0.828 119.491 120.200 0.199 0.000 2.409 151 E HA -0.094 3.279 4.350 -1.629 0.000 0.198 151 E C 1.247 177.875 176.600 0.047 0.000 1.024 151 E CA 1.169 57.634 56.400 0.109 0.000 0.861 151 E CB -0.029 29.755 29.700 0.140 0.000 0.788 151 E HN 0.487 nan 8.360 nan 0.000 0.521 152 V N -2.789 117.168 119.914 0.071 0.000 3.166 152 V HA 0.176 3.318 4.120 -1.629 0.000 0.332 152 V C 1.170 177.289 176.094 0.041 0.000 1.434 152 V CA -0.504 61.825 62.300 0.048 0.000 1.121 152 V CB -0.663 31.197 31.823 0.061 0.000 1.062 152 V HN 0.045 nan 8.190 nan 0.000 0.489 153 F N 2.455 122.346 119.950 -0.098 0.000 2.046 153 F HA -0.120 3.429 4.527 -1.629 0.000 0.297 153 F C 2.014 177.757 175.800 -0.096 0.000 1.123 153 F CA 2.647 60.591 58.000 -0.093 0.000 1.199 153 F CB -0.034 38.865 39.000 -0.168 0.000 0.972 153 F HN 0.234 nan 8.300 nan 0.000 0.474 154 D N -0.216 120.183 120.400 -0.003 0.000 2.097 154 D HA -0.166 3.496 4.640 -1.629 0.000 0.195 154 D C 2.541 178.747 176.300 -0.157 0.000 0.989 154 D CA 1.987 55.933 54.000 -0.090 0.000 0.827 154 D CB -0.703 40.094 40.800 -0.005 0.000 0.966 154 D HN 0.430 nan 8.370 nan 0.000 0.456 155 S N -0.448 115.184 115.700 -0.114 0.000 2.414 155 S HA -0.072 3.421 4.470 -1.629 0.000 0.227 155 S C 1.236 175.745 174.600 -0.151 0.000 1.022 155 S CA 1.073 59.198 58.200 -0.125 0.000 0.958 155 S CB 0.057 63.205 63.200 -0.085 0.000 0.797 155 S HN 0.083 nan 8.310 nan 0.000 0.493 156 D N 0.268 120.591 120.400 -0.128 0.000 2.626 156 D HA 0.337 4.000 4.640 -1.629 0.000 0.274 156 D C 1.800 178.009 176.300 -0.152 0.000 1.045 156 D CA 0.028 53.969 54.000 -0.099 0.000 0.925 156 D CB 0.177 40.969 40.800 -0.012 0.000 1.260 156 D HN 0.217 nan 8.370 nan 0.000 0.490 157 I N 0.945 121.385 120.570 -0.217 0.000 2.339 157 I HA 0.006 3.198 4.170 -1.629 0.000 0.245 157 I C 0.998 176.834 176.117 -0.468 0.000 1.096 157 I CA 0.691 61.822 61.300 -0.282 0.000 1.408 157 I CB -0.462 37.439 38.000 -0.165 0.000 1.092 157 I HN 0.065 nan 8.210 nan 0.000 0.423 158 E N 1.779 121.564 120.200 -0.691 0.000 2.338 158 E HA 0.151 3.523 4.350 -1.629 0.000 0.272 158 E C -0.987 175.405 176.600 -0.346 0.000 1.029 158 E CA -0.275 55.748 56.400 -0.629 0.000 0.872 158 E CB 0.951 30.182 29.700 -0.782 0.000 1.015 158 E HN 0.026 nan 8.360 nan 0.000 0.417 159 L N 5.899 126.965 121.223 -0.262 0.000 2.353 159 L HA 0.342 3.704 4.340 -1.629 0.000 0.270 159 L C -1.011 175.784 176.870 -0.126 0.000 1.003 159 L CA -0.509 54.227 54.840 -0.174 0.000 0.862 159 L CB 1.233 43.194 42.059 -0.162 0.000 1.221 159 L HN 0.644 nan 8.230 nan 0.000 0.430 160 M N 4.624 124.166 119.600 -0.096 0.000 2.146 160 M HA 0.333 3.836 4.480 -1.629 0.000 0.352 160 M C 0.088 176.369 176.300 -0.031 0.000 1.343 160 M CA 0.240 55.510 55.300 -0.051 0.000 1.115 160 M CB 0.690 33.268 32.600 -0.036 0.000 1.657 160 M HN 0.712 nan 8.290 nan 0.000 0.471 161 Q N 3.561 123.353 119.800 -0.013 0.000 2.308 161 Q HA 0.399 3.761 4.340 -1.629 0.000 0.207 161 Q C -0.855 175.162 176.000 0.029 0.000 1.035 161 Q CA -0.675 55.131 55.803 0.005 0.000 1.008 161 Q CB 0.550 29.291 28.738 0.005 0.000 1.168 161 Q HN 0.773 nan 8.270 nan 0.000 0.565 162 N N -0.668 118.056 118.700 0.040 0.000 2.379 162 N HA 0.346 4.109 4.740 -1.629 0.000 0.260 162 N C -0.953 174.607 175.510 0.084 0.000 1.254 162 N CA -0.723 52.351 53.050 0.040 0.000 0.958 162 N CB 0.731 39.244 38.487 0.044 0.000 1.208 162 N HN 0.528 nan 8.380 nan 0.000 0.532 163 R N -1.306 119.221 120.500 0.045 0.000 2.795 163 R HA 0.740 4.103 4.340 -1.629 0.000 0.275 163 R C -1.489 174.915 176.300 0.174 0.000 0.981 163 R CA -1.014 55.151 56.100 0.109 0.000 0.917 163 R CB 1.107 31.329 30.300 -0.130 0.000 1.202 163 R HN 0.349 nan 8.270 nan 0.000 0.469 164 V N -1.982 118.076 119.914 0.240 0.000 2.876 164 V HA 0.700 3.843 4.120 -1.629 0.000 0.312 164 V C -2.779 173.230 176.094 -0.141 0.000 1.085 164 V CA -2.744 59.525 62.300 -0.052 0.000 0.945 164 V CB 2.124 33.809 31.823 -0.230 0.000 1.017 164 V HN 0.808 nan 8.190 nan 0.000 0.428 165 P HA 0.313 nan 4.420 nan 0.000 0.278 165 P C -0.798 176.362 177.300 -0.232 0.000 1.238 165 P CA -0.293 62.386 63.100 -0.702 0.000 0.794 165 P CB 0.761 31.970 31.700 -0.818 0.000 0.955 166 K N 2.450 122.750 120.400 -0.166 0.000 2.382 166 K HA 0.276 3.619 4.320 -1.629 0.000 0.275 166 K C 0.556 177.160 176.600 0.006 0.000 1.009 166 K CA -0.096 56.181 56.287 -0.016 0.000 0.970 166 K CB -0.025 32.453 32.500 -0.036 0.000 0.934 166 K HN 0.503 nan 8.250 nan 0.000 0.479 167 I N -1.167 119.467 120.570 0.107 0.000 2.569 167 I HA 0.428 3.620 4.170 -1.629 0.000 0.296 167 I C -0.407 175.742 176.117 0.053 0.000 1.028 167 I CA -1.312 60.075 61.300 0.146 0.000 1.082 167 I CB 1.808 39.988 38.000 0.300 0.000 1.264 167 I HN 0.341 nan 8.210 nan 0.000 0.429 168 R N 3.575 124.081 120.500 0.009 0.000 2.570 168 R HA 0.086 3.449 4.340 -1.629 0.000 0.277 168 R C 0.571 176.677 176.300 -0.323 0.000 1.039 168 R CA -0.058 55.963 56.100 -0.132 0.000 1.065 168 R CB 0.557 30.804 30.300 -0.088 0.000 0.964 168 R HN 0.729 nan 8.270 nan 0.000 0.428 169 Q N 1.305 120.811 119.800 -0.490 0.000 2.226 169 Q HA -0.199 3.163 4.340 -1.629 0.000 0.204 169 Q C 1.198 176.809 176.000 -0.648 0.000 0.975 169 Q CA 1.782 57.136 55.803 -0.750 0.000 0.866 169 Q CB 0.109 28.311 28.738 -0.894 0.000 0.915 169 Q HN 0.673 nan 8.270 nan 0.000 0.440 170 D N 0.446 120.558 120.400 -0.479 0.000 2.110 170 D HA -0.152 3.511 4.640 -1.629 0.000 0.202 170 D C 1.204 177.250 176.300 -0.422 0.000 0.975 170 D CA 1.556 55.337 54.000 -0.365 0.000 0.839 170 D CB -0.502 40.182 40.800 -0.194 0.000 0.996 170 D HN 0.297 nan 8.370 nan 0.000 0.464 171 N N -1.265 117.246 118.700 -0.315 0.000 2.171 171 N HA 0.041 3.803 4.740 -1.629 0.000 0.212 171 N C -0.068 175.609 175.510 0.278 0.000 1.184 171 N CA -0.438 52.618 53.050 0.009 0.000 0.888 171 N CB -0.513 38.045 38.487 0.120 0.000 1.038 171 N HN 0.132 nan 8.380 nan 0.000 0.517 172 F N -1.704 118.370 119.950 0.207 0.000 2.973 172 F HA -0.240 3.309 4.527 -1.629 0.000 0.299 172 F C -0.231 175.723 175.800 0.256 0.000 0.737 172 F CA -0.007 58.086 58.000 0.155 0.000 1.151 172 F CB -2.662 36.321 39.000 -0.027 0.000 1.440 172 F HN -0.029 nan 8.300 nan 0.000 0.367 173 F N 2.199 122.269 119.950 0.199 0.000 2.450 173 F HA 0.339 3.888 4.527 -1.629 0.000 0.339 173 F C -1.443 174.418 175.800 0.101 0.000 1.146 173 F CA -1.977 56.112 58.000 0.149 0.000 1.267 173 F CB 0.190 39.230 39.000 0.067 0.000 1.178 173 F HN -0.372 nan 8.300 nan 0.000 0.585 174 P HA -0.000 nan 4.420 nan 0.000 0.268 174 P C -0.513 176.812 177.300 0.041 0.000 1.205 174 P CA -0.031 63.091 63.100 0.037 0.000 0.771 174 P CB 0.768 32.407 31.700 -0.102 0.000 0.858 175 V N 4.009 123.909 119.914 -0.023 0.000 2.811 175 V HA 0.118 3.261 4.120 -1.629 0.000 0.302 175 V C 0.086 176.170 176.094 -0.015 0.000 1.063 175 V CA 0.743 63.035 62.300 -0.013 0.000 1.088 175 V CB 0.557 32.360 31.823 -0.033 0.000 0.982 175 V HN 0.543 nan 8.190 nan 0.000 0.485 176 T N 6.421 120.993 114.554 0.030 0.000 2.823 176 T HA 0.436 3.808 4.350 -1.629 0.000 0.279 176 T C -1.291 173.496 174.700 0.145 0.000 0.998 176 T CA 0.097 62.230 62.100 0.056 0.000 0.994 176 T CB 0.860 69.748 68.868 0.033 0.000 0.960 176 T HN 0.606 nan 8.240 nan 0.000 0.448 177 Y N 1.836 122.132 120.300 -0.006 0.000 2.628 177 Y HA 0.436 4.009 4.550 -1.629 0.000 0.354 177 Y C 0.975 176.889 175.900 0.023 0.000 1.061 177 Y CA -0.778 57.326 58.100 0.007 0.000 1.251 177 Y CB -0.189 38.279 38.460 0.014 0.000 1.098 177 Y HN 0.824 nan 8.280 nan 0.000 0.626 178 E N 2.490 122.574 120.200 -0.193 0.000 2.097 178 E HA -0.243 3.129 4.350 -1.629 0.000 0.196 178 E C 2.118 178.583 176.600 -0.225 0.000 1.000 178 E CA 1.863 58.166 56.400 -0.161 0.000 0.804 178 E CB -0.659 28.966 29.700 -0.124 0.000 0.740 178 E HN 0.793 nan 8.360 nan 0.000 0.454 179 A N -0.016 122.532 122.820 -0.454 0.000 1.948 179 A HA -0.032 3.310 4.320 -1.629 0.000 0.220 179 A C 1.407 178.887 177.584 -0.173 0.000 1.177 179 A CA 1.802 53.619 52.037 -0.367 0.000 0.636 179 A CB 0.079 18.764 19.000 -0.526 0.000 0.815 179 A HN 0.429 nan 8.150 nan 0.000 0.449 180 D N -3.277 117.059 120.400 -0.107 0.000 2.445 180 D HA 0.305 3.967 4.640 -1.629 0.000 0.236 180 D C -2.552 173.919 176.300 0.284 0.000 1.315 180 D CA -1.414 52.687 54.000 0.168 0.000 0.924 180 D CB 0.975 41.944 40.800 0.281 0.000 1.447 180 D HN -0.097 nan 8.370 nan 0.000 0.532 181 P HA -0.070 nan 4.420 nan 0.000 0.223 181 P C 1.283 178.764 177.300 0.302 0.000 1.144 181 P CA 0.933 64.164 63.100 0.218 0.000 0.783 181 P CB 0.395 32.189 31.700 0.158 0.000 0.771 182 T N -1.533 113.194 114.554 0.288 0.000 2.759 182 T HA -0.165 3.207 4.350 -1.629 0.000 0.269 182 T C 1.580 176.515 174.700 0.390 0.000 1.042 182 T CA 1.214 63.522 62.100 0.348 0.000 1.140 182 T CB -1.207 67.830 68.868 0.281 0.000 0.864 182 T HN 0.196 nan 8.240 nan 0.000 0.455 183 C N 1.694 121.172 119.300 0.296 0.000 2.466 183 C HA 0.025 3.507 4.460 -1.629 0.000 0.283 183 C C 2.296 177.359 174.990 0.122 0.000 1.472 183 C CA 0.059 59.182 59.018 0.176 0.000 1.765 183 C CB -1.273 26.474 27.740 0.011 0.000 1.724 183 C HN 0.618 nan 8.230 nan 0.000 0.560 184 E N -1.399 118.892 120.200 0.151 0.000 2.482 184 E HA -0.059 3.314 4.350 -1.629 0.000 0.196 184 E C -0.173 176.207 176.600 -0.365 0.000 1.047 184 E CA 0.503 56.842 56.400 -0.102 0.000 0.869 184 E CB 0.210 29.813 29.700 -0.161 0.000 0.836 184 E HN 0.695 nan 8.360 nan 0.000 0.520 185 W N 0.198 121.507 121.300 0.015 0.000 2.936 185 W HA 0.422 4.104 4.660 -1.630 0.000 0.338 185 W C -0.821 175.807 176.519 0.182 0.000 1.121 185 W CA -0.901 56.416 57.345 -0.046 0.000 1.209 185 W CB 1.470 30.677 29.460 -0.421 0.000 1.420 185 W HN -0.343 nan 8.180 nan 0.000 0.516 186 V N 0.084 120.252 119.914 0.423 0.000 2.971 186 V HA 0.668 3.810 4.120 -1.629 0.000 0.309 186 V C -2.620 173.713 176.094 0.399 0.000 1.130 186 V CA -3.186 59.366 62.300 0.420 0.000 0.964 186 V CB 1.783 33.738 31.823 0.219 0.000 1.029 186 V HN 0.343 nan 8.190 nan 0.000 0.427 187 P HA 0.243 nan 4.420 nan 0.000 0.268 187 P C -2.360 175.021 177.300 0.134 0.000 1.205 187 P CA -1.196 62.038 63.100 0.223 0.000 0.771 187 P CB 0.308 32.078 31.700 0.116 0.000 0.858 188 P HA 0.130 nan 4.420 nan 0.000 0.255 188 P C 0.506 177.816 177.300 0.016 0.000 1.427 188 P CA 0.460 63.614 63.100 0.090 0.000 0.863 188 P CB -0.433 31.337 31.700 0.117 0.000 1.444 189 G N 1.628 110.405 108.800 -0.038 0.000 2.629 189 G HA2 -0.169 2.814 3.960 -1.629 0.000 0.686 189 G HA3 -0.169 2.814 3.960 -1.629 0.000 0.686 189 G C 0.294 175.088 174.900 -0.177 0.000 1.232 189 G CA -0.211 44.776 45.100 -0.188 0.000 0.803 189 G HN 0.370 nan 8.290 nan 0.000 0.638 190 H N -0.579 118.473 119.070 -0.031 0.000 2.518 190 H HA 0.148 3.727 4.556 -1.628 0.000 0.289 190 H C 2.500 177.765 175.328 -0.105 0.000 1.051 190 H CA 1.890 57.891 56.048 -0.078 0.000 1.280 190 H CB -0.454 29.251 29.762 -0.095 0.000 1.380 190 H HN 1.040 nan 8.280 nan 0.000 0.566 191 G N 0.582 109.363 108.800 -0.031 0.000 2.479 191 G HA2 -0.345 2.638 3.960 -1.629 0.000 0.220 191 G HA3 -0.345 2.638 3.960 -1.629 0.000 0.220 191 G C 1.334 176.243 174.900 0.015 0.000 1.115 191 G CA 0.990 46.118 45.100 0.048 0.000 0.757 191 G HN 0.497 nan 8.290 nan 0.000 0.560 192 D N -0.202 120.189 120.400 -0.015 0.000 2.263 192 D HA -0.101 3.561 4.640 -1.629 0.000 0.208 192 D C 2.423 178.703 176.300 -0.033 0.000 0.971 192 D CA 0.668 54.673 54.000 0.007 0.000 0.867 192 D CB -0.153 40.654 40.800 0.012 0.000 0.929 192 D HN 0.089 nan 8.370 nan 0.000 0.492 193 V N -0.146 119.677 119.914 -0.153 0.000 2.370 193 V HA -0.327 2.816 4.120 -1.629 0.000 0.252 193 V C 1.571 177.577 176.094 -0.146 0.000 1.068 193 V CA 1.857 64.024 62.300 -0.221 0.000 1.061 193 V CB -0.547 31.054 31.823 -0.370 0.000 0.656 193 V HN 0.260 nan 8.190 nan 0.000 0.455 194 Y N 0.160 120.507 120.300 0.079 0.000 2.153 194 Y HA -0.121 3.451 4.550 -1.631 0.000 0.289 194 Y C 2.932 178.889 175.900 0.095 0.000 1.127 194 Y CA 1.859 60.011 58.100 0.087 0.000 1.131 194 Y CB -1.512 36.990 38.460 0.071 0.000 0.995 194 Y HN 0.235 nan 8.280 nan 0.000 0.505 195 T N -0.454 114.239 114.554 0.231 0.000 2.788 195 T HA -0.139 3.233 4.350 -1.629 0.000 0.268 195 T C 2.056 176.859 174.700 0.172 0.000 1.044 195 T CA 1.380 63.600 62.100 0.199 0.000 1.139 195 T CB -0.643 68.314 68.868 0.148 0.000 0.867 195 T HN 0.107 nan 8.240 nan 0.000 0.454 196 V N 1.413 121.389 119.914 0.104 0.000 2.295 196 V HA -0.097 3.045 4.120 -1.629 0.000 0.246 196 V C 2.682 178.816 176.094 0.066 0.000 1.049 196 V CA 1.681 64.016 62.300 0.059 0.000 1.024 196 V CB -0.636 31.194 31.823 0.012 0.000 0.648 196 V HN 0.475 nan 8.190 nan 0.000 0.447 197 L N -1.424 119.851 121.223 0.086 0.000 2.042 197 L HA -0.251 3.111 4.340 -1.629 0.000 0.210 197 L C 2.486 179.452 176.870 0.161 0.000 1.076 197 L CA 2.162 57.065 54.840 0.105 0.000 0.749 197 L CB -0.598 41.537 42.059 0.126 0.000 0.893 197 L HN 0.421 nan 8.230 nan 0.000 0.432 198 Y N 0.691 121.032 120.300 0.068 0.000 2.153 198 Y HA -0.253 3.320 4.550 -1.629 0.000 0.289 198 Y C 3.000 178.928 175.900 0.046 0.000 1.127 198 Y CA 1.532 59.670 58.100 0.063 0.000 1.131 198 Y CB -0.457 38.044 38.460 0.068 0.000 0.995 198 Y HN 0.249 nan 8.280 nan 0.000 0.505 199 S N -0.876 114.854 115.700 0.051 0.000 2.423 199 S HA -0.152 3.340 4.470 -1.629 0.000 0.231 199 S C 2.050 176.612 174.600 -0.064 0.000 1.014 199 S CA 1.103 59.273 58.200 -0.050 0.000 0.965 199 S CB -1.094 62.134 63.200 0.046 0.000 0.785 199 S HN 0.537 nan 8.310 nan 0.000 0.495 200 S N 0.742 116.425 115.700 -0.028 0.000 2.461 200 S HA 0.369 3.862 4.470 -1.629 0.000 0.228 200 S C 1.818 176.388 174.600 -0.049 0.000 1.005 200 S CA 0.672 58.849 58.200 -0.038 0.000 0.942 200 S CB -0.839 62.343 63.200 -0.030 0.000 0.776 200 S HN 1.492 nan 8.310 nan 0.000 0.514 201 G N 1.260 110.031 108.800 -0.048 0.000 2.175 201 G HA2 -0.249 2.733 3.960 -1.629 0.000 0.244 201 G HA3 -0.249 2.733 3.960 -1.629 0.000 0.244 201 G C 0.952 175.880 174.900 0.046 0.000 0.982 201 G CA 0.399 45.485 45.100 -0.024 0.000 0.641 201 G HN 0.360 nan 8.290 nan 0.000 0.527 202 K N -0.336 120.089 120.400 0.043 0.000 2.057 202 K HA 0.112 3.455 4.320 -1.629 0.000 0.206 202 K C 2.507 179.195 176.600 0.147 0.000 1.050 202 K CA 1.514 57.857 56.287 0.094 0.000 0.935 202 K CB -0.397 32.123 32.500 0.033 0.000 0.715 202 K HN 0.497 nan 8.250 nan 0.000 0.439 203 L N 2.203 123.498 121.223 0.121 0.000 1.989 203 L HA -0.202 3.161 4.340 -1.629 0.000 0.211 203 L C 1.641 178.591 176.870 0.133 0.000 1.071 203 L CA 2.005 56.931 54.840 0.143 0.000 0.749 203 L CB -0.697 41.478 42.059 0.193 0.000 0.890 203 L HN 0.121 nan 8.230 nan 0.000 0.431 204 D N -1.584 118.885 120.400 0.114 0.000 2.123 204 D HA -0.275 3.388 4.640 -1.629 0.000 0.196 204 D C 2.018 178.385 176.300 0.111 0.000 0.992 204 D CA 1.744 55.800 54.000 0.095 0.000 0.833 204 D CB -0.320 40.516 40.800 0.060 0.000 0.954 204 D HN 0.498 nan 8.370 nan 0.000 0.455 205 Y N 1.560 121.882 120.300 0.037 0.000 2.114 205 Y HA -0.185 3.388 4.550 -1.629 0.000 0.284 205 Y C 2.326 178.283 175.900 0.095 0.000 1.143 205 Y CA 1.363 59.492 58.100 0.048 0.000 1.135 205 Y CB -0.569 37.908 38.460 0.029 0.000 0.980 205 Y HN -0.106 nan 8.280 nan 0.000 0.499 206 L N -0.440 120.808 121.223 0.041 0.000 2.012 206 L HA -0.285 3.078 4.340 -1.629 0.000 0.210 206 L C 2.528 179.454 176.870 0.093 0.000 1.073 206 L CA 1.575 56.461 54.840 0.078 0.000 0.748 206 L CB -0.828 41.313 42.059 0.138 0.000 0.891 206 L HN 0.293 nan 8.230 nan 0.000 0.431 207 L N -0.406 120.853 121.223 0.060 0.000 2.083 207 L HA -0.150 3.212 4.340 -1.629 0.000 0.209 207 L C 2.623 179.473 176.870 -0.033 0.000 1.083 207 L CA 1.310 56.168 54.840 0.030 0.000 0.752 207 L CB -1.061 41.025 42.059 0.045 0.000 0.899 207 L HN 0.343 nan 8.230 nan 0.000 0.433 208 G N -0.308 108.453 108.800 -0.066 0.000 2.443 208 G HA2 -0.170 2.812 3.960 -1.629 0.000 0.219 208 G HA3 -0.170 2.812 3.960 -1.629 0.000 0.219 208 G C 1.515 176.322 174.900 -0.156 0.000 1.131 208 G CA 0.298 45.340 45.100 -0.095 0.000 0.775 208 G HN 0.188 nan 8.290 nan 0.000 0.547 209 K N 0.239 120.504 120.400 -0.226 0.000 2.404 209 K HA 0.206 3.549 4.320 -1.629 0.000 0.194 209 K C 1.535 177.902 176.600 -0.388 0.000 1.023 209 K CA 0.554 56.681 56.287 -0.268 0.000 1.094 209 K CB 0.505 32.860 32.500 -0.242 0.000 0.841 209 K HN 0.383 nan 8.250 nan 0.000 0.523 210 G N 0.966 109.601 108.800 -0.275 0.000 2.176 210 G HA2 -0.257 2.726 3.960 -1.629 0.000 0.232 210 G HA3 -0.257 2.726 3.960 -1.629 0.000 0.232 210 G C -0.319 174.426 174.900 -0.258 0.000 0.986 210 G CA -0.403 44.542 45.100 -0.257 0.000 0.643 210 G HN 0.211 nan 8.290 nan 0.000 0.522 211 Y N 0.398 120.690 120.300 -0.013 0.000 2.425 211 Y HA 0.594 4.166 4.550 -1.630 0.000 0.331 211 Y C 1.697 177.601 175.900 0.006 0.000 1.157 211 Y CA -0.166 57.950 58.100 0.026 0.000 1.372 211 Y CB 0.670 39.150 38.460 0.032 0.000 1.253 211 Y HN 0.004 nan 8.280 nan 0.000 0.536 212 R N 1.395 121.989 120.500 0.157 0.000 2.556 212 R HA 0.172 3.534 4.340 -1.629 0.000 0.276 212 R C -1.251 174.865 176.300 -0.307 0.000 0.931 212 R CA -0.110 55.927 56.100 -0.105 0.000 1.061 212 R CB 0.483 30.646 30.300 -0.229 0.000 1.432 212 R HN 0.631 nan 8.270 nan 0.000 0.547 213 Y N -0.023 120.420 120.300 0.238 0.000 2.477 213 Y HA 0.548 4.121 4.550 -1.628 0.000 0.347 213 Y C -0.205 175.850 175.900 0.258 0.000 0.981 213 Y CA -0.850 57.424 58.100 0.289 0.000 1.033 213 Y CB 2.275 40.956 38.460 0.369 0.000 1.245 213 Y HN -0.231 nan 8.280 nan 0.000 0.455 214 M N 4.425 124.252 119.600 0.378 0.000 2.263 214 M HA 0.481 3.983 4.480 -1.629 0.000 0.295 214 M C -2.134 174.128 176.300 -0.064 0.000 1.028 214 M CA -0.744 54.630 55.300 0.124 0.000 0.921 214 M CB 1.271 33.901 32.600 0.050 0.000 1.601 214 M HN 0.663 nan 8.290 nan 0.000 0.440 215 F N 7.021 126.639 119.950 -0.553 0.000 2.405 215 F HA 0.650 4.198 4.527 -1.632 0.000 0.355 215 F C -1.392 174.093 175.800 -0.525 0.000 1.121 215 F CA -0.679 56.749 58.000 -0.955 0.000 1.112 215 F CB 0.577 38.701 39.000 -1.460 0.000 1.126 215 F HN 0.467 nan 8.300 nan 0.000 0.481 216 I N 5.535 125.461 120.570 -1.074 0.000 2.474 216 I HA 0.576 3.769 4.170 -1.629 0.000 0.294 216 I C -0.586 174.934 176.117 -0.995 0.000 1.005 216 I CA -0.600 60.209 61.300 -0.819 0.000 1.113 216 I CB 1.935 39.650 38.000 -0.476 0.000 1.289 216 I HN 0.634 nan 8.210 nan 0.000 0.436 217 S N 3.176 118.447 115.700 -0.716 0.000 2.607 217 S HA 0.494 3.986 4.470 -1.629 0.000 0.273 217 S C -0.959 173.466 174.600 -0.291 0.000 1.148 217 S CA -1.135 56.773 58.200 -0.487 0.000 0.833 217 S CB 1.548 64.486 63.200 -0.436 0.000 1.130 217 S HN 0.487 nan 8.310 nan 0.000 0.470 218 N N 0.911 119.490 118.700 -0.202 0.000 2.458 218 N HA 0.231 3.993 4.740 -1.629 0.000 0.258 218 N C 1.535 176.974 175.510 -0.119 0.000 1.219 218 N CA 0.715 53.670 53.050 -0.159 0.000 0.902 218 N CB 0.652 39.079 38.487 -0.100 0.000 1.076 218 N HN 0.927 nan 8.380 nan 0.000 0.455 219 G N 1.301 110.021 108.800 -0.134 0.000 2.462 219 G HA2 -0.265 2.717 3.960 -1.629 0.000 0.220 219 G HA3 -0.265 2.717 3.960 -1.629 0.000 0.220 219 G C 0.868 175.666 174.900 -0.169 0.000 1.121 219 G CA 0.772 45.804 45.100 -0.113 0.000 0.758 219 G HN 0.773 nan 8.290 nan 0.000 0.559 220 D N -0.149 120.077 120.400 -0.290 0.000 2.347 220 D HA -0.046 3.616 4.640 -1.629 0.000 0.213 220 D C 0.478 176.765 176.300 -0.022 0.000 0.985 220 D CA -0.087 53.627 54.000 -0.477 0.000 0.879 220 D CB -0.117 40.376 40.800 -0.512 0.000 0.919 220 D HN 0.188 nan 8.370 nan 0.000 0.526 221 N N 1.127 119.833 118.700 0.010 0.000 2.589 221 N HA 0.123 3.885 4.740 -1.629 0.000 0.232 221 N C 0.292 175.855 175.510 0.088 0.000 1.015 221 N CA -0.351 52.727 53.050 0.047 0.000 0.931 221 N CB 0.706 39.245 38.487 0.086 0.000 1.150 221 N HN 0.070 nan 8.380 nan 0.000 0.512 222 L N 1.759 123.027 121.223 0.075 0.000 2.629 222 L HA 0.295 3.657 4.340 -1.629 0.000 0.230 222 L C 1.768 178.655 176.870 0.029 0.000 1.151 222 L CA 0.022 54.891 54.840 0.049 0.000 0.924 222 L CB 0.238 42.265 42.059 -0.054 0.000 1.137 222 L HN 0.570 nan 8.230 nan 0.000 0.457 223 G N -0.199 108.639 108.800 0.063 0.000 2.744 223 G HA2 0.156 3.139 3.960 -1.629 0.000 0.211 223 G HA3 0.156 3.139 3.960 -1.629 0.000 0.211 223 G C 0.867 175.854 174.900 0.144 0.000 1.146 223 G CA 0.326 45.485 45.100 0.098 0.000 0.787 223 G HN 0.344 nan 8.290 nan 0.000 0.534 224 A N 0.287 123.213 122.820 0.177 0.000 2.567 224 A HA 0.489 3.831 4.320 -1.629 0.000 0.240 224 A C 0.317 178.047 177.584 0.244 0.000 1.053 224 A CA 0.805 53.002 52.037 0.267 0.000 0.755 224 A CB 0.110 19.267 19.000 0.263 0.000 0.978 224 A HN 0.215 nan 8.150 nan 0.000 0.507 225 T N 2.615 117.272 114.554 0.172 0.000 2.916 225 T HA 0.452 3.825 4.350 -1.629 0.000 0.298 225 T C -0.568 173.878 174.700 -0.425 0.000 1.031 225 T CA -0.508 61.591 62.100 -0.002 0.000 0.993 225 T CB 0.532 69.436 68.868 0.060 0.000 1.045 225 T HN 0.672 nan 8.240 nan 0.000 0.454 226 L N 4.822 125.787 121.223 -0.431 0.000 2.485 226 L HA 0.331 3.694 4.340 -1.629 0.000 0.279 226 L C -0.196 176.688 176.870 0.023 0.000 1.124 226 L CA -0.041 54.521 54.840 -0.464 0.000 0.888 226 L CB 0.146 41.989 42.059 -0.360 0.000 1.217 226 L HN 0.580 nan 8.230 nan 0.000 0.464 227 D N 3.990 124.430 120.400 0.067 0.000 2.412 227 D HA 0.093 3.756 4.640 -1.629 0.000 0.224 227 D C 1.022 177.342 176.300 0.033 0.000 1.093 227 D CA -0.357 53.684 54.000 0.068 0.000 0.850 227 D CB 1.700 42.515 40.800 0.025 0.000 1.046 227 D HN 0.336 nan 8.370 nan 0.000 0.507 228 V N 5.294 125.240 119.914 0.053 0.000 2.490 228 V HA -0.212 2.931 4.120 -1.629 0.000 0.250 228 V C 2.387 178.415 176.094 -0.110 0.000 1.061 228 V CA 1.484 63.770 62.300 -0.023 0.000 1.064 228 V CB -0.458 31.382 31.823 0.029 0.000 0.670 228 V HN 0.540 nan 8.190 nan 0.000 0.461 229 R N -0.558 119.899 120.500 -0.073 0.000 2.148 229 R HA -0.060 3.303 4.340 -1.629 0.000 0.227 229 R C 2.144 178.383 176.300 -0.101 0.000 1.103 229 R CA 0.995 57.052 56.100 -0.072 0.000 0.983 229 R CB -0.320 29.956 30.300 -0.039 0.000 0.874 229 R HN 0.373 nan 8.270 nan 0.000 0.451 230 L N 0.676 121.803 121.223 -0.160 0.000 2.162 230 L HA -0.025 3.337 4.340 -1.629 0.000 0.205 230 L C 1.965 178.559 176.870 -0.459 0.000 1.086 230 L CA 1.156 55.867 54.840 -0.216 0.000 0.778 230 L CB -0.491 41.454 42.059 -0.190 0.000 0.928 230 L HN 0.058 nan 8.230 nan 0.000 0.446 231 L N -0.091 120.689 121.223 -0.738 0.000 2.013 231 L HA -0.256 3.106 4.340 -1.629 0.000 0.212 231 L C 2.065 178.607 176.870 -0.547 0.000 1.073 231 L CA 2.026 56.269 54.840 -0.994 0.000 0.753 231 L CB -1.133 40.354 42.059 -0.953 0.000 0.890 231 L HN 0.311 nan 8.230 nan 0.000 0.432 232 D N -1.566 118.650 120.400 -0.307 0.000 2.104 232 D HA -0.279 3.384 4.640 -1.629 0.000 0.194 232 D C 2.050 178.307 176.300 -0.073 0.000 0.994 232 D CA 1.858 55.769 54.000 -0.148 0.000 0.830 232 D CB -0.434 40.322 40.800 -0.074 0.000 0.959 232 D HN 0.537 nan 8.370 nan 0.000 0.452 233 Y N 0.936 121.128 120.300 -0.179 0.000 2.128 233 Y HA -0.211 3.373 4.550 -1.610 0.000 0.284 233 Y C 2.389 178.209 175.900 -0.132 0.000 1.154 233 Y CA 1.707 59.727 58.100 -0.133 0.000 1.149 233 Y CB -0.438 37.944 38.460 -0.131 0.000 0.976 233 Y HN -0.096 nan 8.280 nan 0.000 0.505 234 M N -0.937 118.494 119.600 -0.281 0.000 2.080 234 M HA -0.293 3.209 4.480 -1.629 0.000 0.260 234 M C 2.319 178.480 176.300 -0.232 0.000 1.068 234 M CA 2.450 57.562 55.300 -0.314 0.000 1.109 234 M CB -0.569 31.844 32.600 -0.312 0.000 1.342 234 M HN 0.531 nan 8.290 nan 0.000 0.405 235 H N 0.070 118.954 119.070 -0.310 0.000 2.352 235 H HA -0.155 3.423 4.556 -1.630 0.000 0.299 235 H C 1.684 176.936 175.328 -0.126 0.000 1.097 235 H CA 2.579 58.532 56.048 -0.158 0.000 1.311 235 H CB -0.059 29.573 29.762 -0.215 0.000 1.377 235 H HN 0.520 nan 8.280 nan 0.000 0.504 236 E N -0.144 119.932 120.200 -0.207 0.000 2.110 236 E HA -0.114 3.259 4.350 -1.629 0.000 0.193 236 E C 1.514 177.959 176.600 -0.258 0.000 0.988 236 E CA 0.994 57.264 56.400 -0.216 0.000 0.804 236 E CB 0.202 29.827 29.700 -0.125 0.000 0.745 236 E HN 0.284 nan 8.360 nan 0.000 0.458 237 K N 0.498 120.682 120.400 -0.359 0.000 2.487 237 K HA 0.022 3.364 4.320 -1.629 0.000 0.192 237 K C -0.174 176.308 176.600 -0.197 0.000 1.027 237 K CA 0.200 56.302 56.287 -0.309 0.000 1.054 237 K CB 0.263 32.469 32.500 -0.489 0.000 0.824 237 K HN 0.165 nan 8.250 nan 0.000 0.510 238 Q N 0.749 120.433 119.800 -0.193 0.000 2.435 238 Q HA -0.180 3.183 4.340 -1.629 0.000 0.312 238 Q C -0.737 175.247 176.000 -0.027 0.000 1.333 238 Q CA 0.332 56.070 55.803 -0.108 0.000 0.883 238 Q CB -1.751 26.931 28.738 -0.094 0.000 1.170 238 Q HN 0.311 nan 8.270 nan 0.000 0.443 239 L N -1.162 120.049 121.223 -0.020 0.000 2.371 239 L HA 0.298 3.660 4.340 -1.629 0.000 0.272 239 L C 1.654 178.579 176.870 0.092 0.000 1.124 239 L CA 0.418 55.278 54.840 0.033 0.000 0.816 239 L CB 0.661 42.722 42.059 0.003 0.000 1.129 239 L HN 0.399 nan 8.230 nan 0.000 0.448 240 G N 2.219 111.074 108.800 0.092 0.000 2.603 240 G HA2 -0.027 2.955 3.960 -1.629 0.000 0.214 240 G HA3 -0.027 2.955 3.960 -1.629 0.000 0.214 240 G C -0.085 174.617 174.900 -0.330 0.000 1.140 240 G CA 0.283 45.393 45.100 0.018 0.000 0.800 240 G HN 0.443 nan 8.290 nan 0.000 0.533 241 F N -0.298 119.428 119.950 -0.374 0.000 2.605 241 F HA 0.622 4.169 4.527 -1.633 0.000 0.320 241 F C -1.830 173.918 175.800 -0.086 0.000 1.159 241 F CA -1.187 56.573 58.000 -0.399 0.000 0.999 241 F CB 1.662 40.258 39.000 -0.674 0.000 1.258 241 F HN -0.105 nan 8.300 nan 0.000 0.464 242 L N 8.046 129.108 121.223 -0.268 0.000 2.376 242 L HA 0.590 3.953 4.340 -1.629 0.000 0.275 242 L C -1.297 175.374 176.870 -0.331 0.000 0.987 242 L CA -0.665 54.104 54.840 -0.118 0.000 0.828 242 L CB 1.613 43.688 42.059 0.027 0.000 1.249 242 L HN 0.855 nan 8.230 nan 0.000 0.409 243 M N 4.690 124.168 119.600 -0.203 0.000 2.180 243 M HA 0.396 3.899 4.480 -1.629 0.000 0.350 243 M C -0.816 175.427 176.300 -0.095 0.000 1.125 243 M CA -0.331 54.863 55.300 -0.176 0.000 1.031 243 M CB 1.064 33.637 32.600 -0.045 0.000 1.623 243 M HN 0.567 nan 8.290 nan 0.000 0.451 244 E N 4.159 124.323 120.200 -0.061 0.000 2.289 244 E HA 0.384 3.757 4.350 -1.629 0.000 0.278 244 E C -0.662 175.858 176.600 -0.133 0.000 1.032 244 E CA -0.526 55.840 56.400 -0.057 0.000 0.854 244 E CB 1.343 31.060 29.700 0.029 0.000 1.046 244 E HN 0.596 nan 8.360 nan 0.000 0.409 245 V N -0.279 119.545 119.914 -0.149 0.000 2.960 245 V HA 0.618 3.760 4.120 -1.629 0.000 0.315 245 V C -0.365 175.672 176.094 -0.096 0.000 1.087 245 V CA -0.922 61.293 62.300 -0.142 0.000 0.982 245 V CB 1.682 33.446 31.823 -0.098 0.000 1.039 245 V HN 0.745 nan 8.190 nan 0.000 0.437 246 C N 2.107 121.383 119.300 -0.040 0.000 2.529 246 C HA 0.733 4.216 4.460 -1.629 0.000 0.329 246 C C 0.311 175.379 174.990 0.129 0.000 1.194 246 C CA -0.616 58.425 59.018 0.038 0.000 1.779 246 C CB 1.210 28.993 27.740 0.072 0.000 2.322 246 C HN 1.096 nan 8.230 nan 0.000 0.500 247 R N 2.247 122.817 120.500 0.117 0.000 2.513 247 R HA 0.022 3.384 4.340 -1.629 0.000 0.333 247 R C 0.389 176.711 176.300 0.036 0.000 0.925 247 R CA 0.622 56.764 56.100 0.070 0.000 1.072 247 R CB -0.165 30.194 30.300 0.098 0.000 0.914 247 R HN 0.720 nan 8.270 nan 0.000 0.408 248 R N 2.852 123.345 120.500 -0.012 0.000 2.640 248 R HA 0.016 3.378 4.340 -1.629 0.000 0.270 248 R C -0.244 176.007 176.300 -0.083 0.000 1.024 248 R CA 1.058 57.121 56.100 -0.061 0.000 1.085 248 R CB 0.366 30.616 30.300 -0.085 0.000 0.963 248 R HN 0.905 nan 8.270 nan 0.000 0.426 249 T N -1.059 113.431 114.554 -0.106 0.000 2.927 249 T HA 0.158 3.531 4.350 -1.629 0.000 0.286 249 T C 0.926 175.563 174.700 -0.106 0.000 1.040 249 T CA -0.940 61.114 62.100 -0.076 0.000 1.010 249 T CB 1.571 70.418 68.868 -0.034 0.000 1.177 249 T HN 0.675 nan 8.240 nan 0.000 0.546 250 E N 0.167 120.327 120.200 -0.068 0.000 2.204 250 E HA -0.152 3.221 4.350 -1.629 0.000 0.195 250 E C 2.008 178.571 176.600 -0.061 0.000 0.990 250 E CA 1.405 57.771 56.400 -0.057 0.000 0.821 250 E CB -0.143 29.538 29.700 -0.031 0.000 0.750 250 E HN 0.758 nan 8.360 nan 0.000 0.477 251 S N 0.302 115.964 115.700 -0.064 0.000 2.515 251 S HA -0.068 3.424 4.470 -1.629 0.000 0.231 251 S C 0.390 174.921 174.600 -0.114 0.000 0.987 251 S CA 0.297 58.461 58.200 -0.060 0.000 0.936 251 S CB 0.087 63.267 63.200 -0.034 0.000 0.766 251 S HN 0.055 nan 8.310 nan 0.000 0.528 252 D N 1.800 122.055 120.400 -0.241 0.000 2.468 252 D HA 0.304 3.967 4.640 -1.629 0.000 0.218 252 D C 0.401 176.482 176.300 -0.365 0.000 1.155 252 D CA -0.017 53.654 54.000 -0.547 0.000 0.924 252 D CB 1.227 41.246 40.800 -1.300 0.000 1.029 252 D HN 0.439 nan 8.370 nan 0.000 0.515 253 K N 0.672 121.051 120.400 -0.035 0.000 2.436 253 K HA 0.114 3.457 4.320 -1.629 0.000 0.198 253 K C 0.320 177.150 176.600 0.382 0.000 1.174 253 K CA 0.216 56.600 56.287 0.162 0.000 0.951 253 K CB 1.061 33.628 32.500 0.112 0.000 1.040 253 K HN 0.003 nan 8.250 nan 0.000 0.536 254 K N 0.612 121.237 120.400 0.375 0.000 2.413 254 K HA 0.491 3.834 4.320 -1.629 0.000 0.257 254 K C -0.301 176.619 176.600 0.534 0.000 0.946 254 K CA -0.515 56.010 56.287 0.395 0.000 0.823 254 K CB 2.156 34.783 32.500 0.212 0.000 1.109 254 K HN 0.212 nan 8.250 nan 0.000 0.427 255 G N 1.318 110.402 108.800 0.474 0.000 2.292 255 G HA2 0.256 3.238 3.960 -1.629 0.000 0.194 255 G HA3 0.256 3.238 3.960 -1.629 0.000 0.194 255 G C -1.224 173.750 174.900 0.123 0.000 1.329 255 G CA -0.431 44.818 45.100 0.248 0.000 1.100 255 G HN 0.735 nan 8.290 nan 0.000 0.470 256 G N -0.567 108.021 108.800 -0.353 0.000 2.591 256 G HA2 0.772 3.754 3.960 -1.629 0.000 0.306 256 G HA3 0.772 3.754 3.960 -1.629 0.000 0.306 256 G C -0.843 173.684 174.900 -0.623 0.000 1.334 256 G CA 0.291 45.204 45.100 -0.312 0.000 0.981 256 G HN 1.525 nan 8.290 nan 0.000 0.491 257 H N -0.063 118.797 119.070 -0.350 0.000 2.567 257 H HA 0.728 4.305 4.556 -1.631 0.000 0.345 257 H C -0.386 174.860 175.328 -0.136 0.000 1.169 257 H CA -1.197 54.703 56.048 -0.245 0.000 1.227 257 H CB 1.328 30.984 29.762 -0.177 0.000 1.607 257 H HN 0.372 nan 8.280 nan 0.000 0.534 258 L N 1.369 122.625 121.223 0.055 0.000 2.418 258 L HA 0.635 3.998 4.340 -1.629 0.000 0.265 258 L C 0.288 177.273 176.870 0.191 0.000 1.143 258 L CA -0.267 54.590 54.840 0.028 0.000 0.809 258 L CB 1.057 43.090 42.059 -0.042 0.000 1.124 258 L HN 0.983 nan 8.230 nan 0.000 0.456 259 A N 1.582 124.464 122.820 0.103 0.000 2.529 259 A HA 0.767 4.109 4.320 -1.629 0.000 0.296 259 A C -2.018 175.615 177.584 0.082 0.000 1.205 259 A CA -0.421 51.701 52.037 0.142 0.000 0.671 259 A CB 1.281 20.410 19.000 0.216 0.000 1.301 259 A HN 0.439 nan 8.150 nan 0.000 0.450 260 Y N 0.100 120.525 120.300 0.208 0.000 2.499 260 Y HA 0.717 4.286 4.550 -1.634 0.000 0.347 260 Y C 0.121 176.075 175.900 0.090 0.000 0.987 260 Y CA -0.912 57.263 58.100 0.124 0.000 1.044 260 Y CB 2.280 40.787 38.460 0.079 0.000 1.245 260 Y HN 0.725 nan 8.280 nan 0.000 0.461 261 K N 1.611 122.159 120.400 0.247 0.000 2.469 261 K HA 0.388 3.730 4.320 -1.629 0.000 0.254 261 K C -1.398 175.238 176.600 0.060 0.000 0.939 261 K CA -0.691 55.674 56.287 0.130 0.000 0.812 261 K CB 1.809 34.370 32.500 0.103 0.000 1.301 261 K HN 0.629 nan 8.250 nan 0.000 0.433 272 R N 1.757 122.225 120.500 -0.052 0.000 2.740 272 R HA 0.277 3.639 4.340 -1.629 0.000 0.263 272 R C -0.142 176.099 176.300 -0.098 0.000 0.997 272 R CA -0.208 55.845 56.100 -0.078 0.000 1.108 272 R CB 0.350 30.607 30.300 -0.073 0.000 0.969 272 R HN 0.068 nan 8.270 nan 0.000 0.431 273 R N 2.412 122.814 120.500 -0.164 0.000 2.489 273 R HA 0.103 3.465 4.340 -1.629 0.000 0.287 273 R C -0.115 176.075 176.300 -0.183 0.000 1.053 273 R CA 0.206 56.162 56.100 -0.241 0.000 1.036 273 R CB 0.340 30.335 30.300 -0.508 0.000 0.966 273 R HN 0.713 nan 8.270 nan 0.000 0.432 274 R N 2.164 122.623 120.500 -0.068 0.000 2.744 274 R HA 0.371 3.734 4.340 -1.629 0.000 0.279 274 R C -0.604 175.802 176.300 0.176 0.000 0.977 274 R CA -0.986 55.116 56.100 0.003 0.000 0.906 274 R CB 0.978 31.296 30.300 0.029 0.000 1.197 274 R HN 0.203 nan 8.270 nan 0.000 0.463 275 F N 1.406 121.486 119.950 0.217 0.000 2.506 275 F HA 0.179 3.721 4.527 -1.642 0.000 0.351 275 F C 0.877 176.719 175.800 0.070 0.000 1.136 275 F CA -0.148 57.947 58.000 0.159 0.000 1.298 275 F CB 1.006 40.052 39.000 0.078 0.000 1.145 275 F HN 0.260 nan 8.300 nan 0.000 0.593 276 V N 3.747 123.822 119.914 0.267 0.000 2.876 276 V HA 0.734 3.876 4.120 -1.629 0.000 0.312 276 V C -1.696 174.413 176.094 0.024 0.000 1.085 276 V CA -1.106 61.262 62.300 0.113 0.000 0.945 276 V CB 1.876 33.751 31.823 0.087 0.000 1.017 276 V HN 0.628 nan 8.190 nan 0.000 0.428 277 L N 4.375 125.582 121.223 -0.028 0.000 2.287 277 L HA 0.670 4.032 4.340 -1.629 0.000 0.287 277 L C -0.020 176.776 176.870 -0.124 0.000 1.022 277 L CA -0.343 54.438 54.840 -0.098 0.000 0.814 277 L CB 1.230 43.252 42.059 -0.063 0.000 1.217 277 L HN 0.949 nan 8.230 nan 0.000 0.420 278 R N 4.338 124.677 120.500 -0.269 0.000 2.239 278 R HA 0.340 3.703 4.340 -1.629 0.000 0.332 278 R C -0.603 175.676 176.300 -0.034 0.000 0.988 278 R CA -0.536 55.451 56.100 -0.188 0.000 0.859 278 R CB 0.597 30.740 30.300 -0.263 0.000 1.148 278 R HN 0.609 nan 8.270 nan 0.000 0.482 279 E N 1.502 121.722 120.200 0.033 0.000 2.371 279 E HA 0.044 3.417 4.350 -1.629 0.000 0.257 279 E C 0.692 177.314 176.600 0.037 0.000 1.134 279 E CA -0.069 56.382 56.400 0.085 0.000 0.919 279 E CB 1.257 30.978 29.700 0.035 0.000 1.025 279 E HN 0.573 nan 8.360 nan 0.000 0.438 280 S N 1.239 116.928 115.700 -0.017 0.000 2.372 280 S HA -0.244 3.249 4.470 -1.629 0.000 0.227 280 S C 1.670 176.131 174.600 -0.232 0.000 1.044 280 S CA 1.690 59.689 58.200 -0.334 0.000 1.050 280 S CB -0.151 62.984 63.200 -0.108 0.000 0.901 280 S HN 0.652 nan 8.310 nan 0.000 0.447 281 A N 0.306 123.083 122.820 -0.071 0.000 2.172 281 A HA -0.033 3.309 4.320 -1.629 0.000 0.216 281 A C 1.808 179.432 177.584 0.067 0.000 1.154 281 A CA 0.861 52.897 52.037 -0.002 0.000 0.701 281 A CB -0.282 18.723 19.000 0.008 0.000 0.789 281 A HN 0.576 nan 8.150 nan 0.000 0.465 282 Q N -1.883 117.940 119.800 0.038 0.000 2.282 282 Q HA 0.143 3.506 4.340 -1.629 0.000 0.206 282 Q C -0.008 176.062 176.000 0.116 0.000 0.878 282 Q CA -0.270 55.613 55.803 0.134 0.000 0.944 282 Q CB 0.500 29.276 28.738 0.064 0.000 1.100 282 Q HN 0.552 nan 8.270 nan 0.000 0.509 283 C N 2.921 122.166 119.300 -0.091 0.000 2.265 283 C HA 0.474 3.956 4.460 -1.629 0.000 0.332 283 C C -2.376 172.340 174.990 -0.456 0.000 1.248 283 C CA -2.418 56.455 59.018 -0.241 0.000 1.727 283 C CB -0.040 27.446 27.740 -0.423 0.000 2.348 283 C HN 0.169 nan 8.230 nan 0.000 0.519 284 P HA 0.106 nan 4.420 nan 0.000 0.268 284 P C 0.686 177.729 177.300 -0.428 0.000 1.205 284 P CA 0.047 62.542 63.100 -1.008 0.000 0.771 284 P CB 0.553 31.796 31.700 -0.762 0.000 0.858 285 K N 2.586 122.801 120.400 -0.309 0.000 2.077 285 K HA -0.283 3.060 4.320 -1.629 0.000 0.213 285 K C 1.121 177.665 176.600 -0.094 0.000 1.051 285 K CA 2.161 58.365 56.287 -0.139 0.000 0.929 285 K CB -0.194 32.265 32.500 -0.070 0.000 0.715 285 K HN 0.382 nan 8.250 nan 0.000 0.451 286 E N 0.684 120.830 120.200 -0.089 0.000 2.331 286 E HA -0.154 3.219 4.350 -1.629 0.000 0.199 286 E C 0.810 177.396 176.600 -0.023 0.000 1.008 286 E CA 1.318 57.693 56.400 -0.042 0.000 0.843 286 E CB -0.027 29.654 29.700 -0.032 0.000 0.761 286 E HN 0.398 nan 8.360 nan 0.000 0.507 287 D N -0.402 119.973 120.400 -0.042 0.000 2.363 287 D HA -0.002 3.660 4.640 -1.629 0.000 0.214 287 D C 1.301 177.641 176.300 0.068 0.000 1.093 287 D CA 0.073 54.082 54.000 0.015 0.000 0.837 287 D CB 0.240 41.046 40.800 0.009 0.000 0.948 287 D HN 0.075 nan 8.370 nan 0.000 0.507 288 E N 1.391 121.612 120.200 0.034 0.000 2.085 288 E HA -0.189 3.184 4.350 -1.629 0.000 0.194 288 E C 1.079 177.767 176.600 0.147 0.000 0.994 288 E CA 1.446 57.892 56.400 0.078 0.000 0.801 288 E CB 0.060 29.774 29.700 0.024 0.000 0.743 288 E HN 0.053 nan 8.360 nan 0.000 0.453 289 D N -0.462 119.997 120.400 0.098 0.000 2.092 289 D HA -0.125 3.538 4.640 -1.629 0.000 0.193 289 D C 2.072 178.438 176.300 0.111 0.000 0.994 289 D CA 1.617 55.670 54.000 0.090 0.000 0.828 289 D CB -0.577 40.258 40.800 0.057 0.000 0.963 289 D HN 0.128 nan 8.370 nan 0.000 0.450 290 S N 0.266 116.041 115.700 0.126 0.000 2.353 290 S HA -0.181 3.311 4.470 -1.629 0.000 0.222 290 S C 1.808 176.536 174.600 0.215 0.000 1.035 290 S CA 0.724 59.022 58.200 0.163 0.000 1.025 290 S CB -0.637 62.669 63.200 0.178 0.000 0.902 290 S HN 0.305 nan 8.310 nan 0.000 0.440 291 F N 2.174 122.169 119.950 0.075 0.000 2.192 291 F HA -0.174 3.380 4.527 -1.622 0.000 0.301 291 F C 2.154 177.999 175.800 0.076 0.000 1.079 291 F CA 1.322 59.364 58.000 0.069 0.000 1.303 291 F CB -0.037 39.023 39.000 0.100 0.000 1.024 291 F HN 0.147 nan 8.300 nan 0.000 0.494 292 Q N -0.118 119.809 119.800 0.211 0.000 2.247 292 Q HA 0.036 3.399 4.340 -1.629 0.000 0.204 292 Q C -0.044 175.974 176.000 0.029 0.000 0.872 292 Q CA -0.011 55.866 55.803 0.122 0.000 0.951 292 Q CB -0.509 28.332 28.738 0.173 0.000 1.099 292 Q HN 0.275 nan 8.270 nan 0.000 0.501 293 N N 2.173 120.884 118.700 0.018 0.000 2.421 293 N HA 0.001 3.763 4.740 -1.629 0.000 0.260 293 N C 1.057 176.516 175.510 -0.085 0.000 1.173 293 N CA -0.012 53.021 53.050 -0.027 0.000 0.960 293 N CB 0.302 38.774 38.487 -0.025 0.000 1.273 293 N HN 0.306 nan 8.380 nan 0.000 0.497 294 I N 0.886 121.403 120.570 -0.089 0.000 3.001 294 I HA 0.029 3.222 4.170 -1.629 0.000 0.268 294 I C 1.431 177.461 176.117 -0.145 0.000 1.267 294 I CA 0.615 61.845 61.300 -0.118 0.000 1.472 294 I CB 0.050 37.985 38.000 -0.108 0.000 1.089 294 I HN 0.294 nan 8.210 nan 0.000 0.468 295 A N 1.452 124.191 122.820 -0.135 0.000 1.935 295 A HA -0.040 3.303 4.320 -1.629 0.000 0.214 295 A C 2.472 179.939 177.584 -0.194 0.000 1.178 295 A CA 0.972 52.923 52.037 -0.145 0.000 0.640 295 A CB -0.332 18.607 19.000 -0.102 0.000 0.825 295 A HN 0.409 nan 8.150 nan 0.000 0.447 296 K N -0.853 119.405 120.400 -0.237 0.000 2.021 296 K HA -0.078 3.264 4.320 -1.629 0.000 0.205 296 K C -0.095 176.184 176.600 -0.535 0.000 1.047 296 K CA 0.873 56.929 56.287 -0.384 0.000 0.943 296 K CB -0.093 32.131 32.500 -0.461 0.000 0.725 296 K HN 0.516 nan 8.250 nan 0.000 0.439 297 H N 0.322 119.237 119.070 -0.257 0.000 2.556 297 H HA 0.127 3.705 4.556 -1.630 0.000 0.240 297 H C 0.730 175.891 175.328 -0.279 0.000 1.543 297 H CA -0.350 55.487 56.048 -0.350 0.000 1.287 297 H CB 0.315 29.568 29.762 -0.848 0.000 1.529 297 H HN 0.360 nan 8.280 nan 0.000 0.553 298 C N -0.181 118.965 119.300 -0.257 0.000 2.799 298 C HA 0.357 3.839 4.460 -1.629 0.000 0.267 298 C C 0.489 175.209 174.990 -0.449 0.000 1.257 298 C CA -0.581 58.199 59.018 -0.397 0.000 1.702 298 C CB -1.477 25.908 27.740 -0.593 0.000 1.934 298 C HN 0.216 nan 8.230 nan 0.000 0.594 299 F N 1.462 121.451 119.950 0.066 0.000 2.332 299 F HA 0.540 4.054 4.527 -1.688 0.000 0.368 299 F C -0.235 175.614 175.800 0.082 0.000 1.110 299 F CA -1.567 56.458 58.000 0.041 0.000 1.087 299 F CB 0.344 39.336 39.000 -0.013 0.000 1.235 299 F HN 0.022 nan 8.300 nan 0.000 0.470 300 F N 3.578 123.562 119.950 0.057 0.000 2.411 300 F HA 0.366 3.911 4.527 -1.637 0.000 0.352 300 F C 0.400 176.106 175.800 -0.156 0.000 1.123 300 F CA -1.054 56.926 58.000 -0.033 0.000 1.044 300 F CB 0.661 39.639 39.000 -0.036 0.000 1.135 300 F HN 0.368 nan 8.300 nan 0.000 0.461 301 N N 2.631 121.070 118.700 -0.435 0.000 2.440 301 N HA -0.047 3.716 4.740 -1.629 0.000 0.265 301 N C 1.067 176.279 175.510 -0.497 0.000 1.239 301 N CA 0.853 53.669 53.050 -0.391 0.000 0.909 301 N CB 0.974 39.259 38.487 -0.336 0.000 1.066 301 N HN 0.737 nan 8.380 nan 0.000 0.474 302 T N 0.764 115.011 114.554 -0.512 0.000 3.067 302 T HA -0.003 3.369 4.350 -1.629 0.000 0.261 302 T C 0.871 175.440 174.700 -0.218 0.000 1.110 302 T CA 0.509 62.195 62.100 -0.689 0.000 1.113 302 T CB -0.224 68.370 68.868 -0.456 0.000 0.917 302 T HN 0.647 nan 8.240 nan 0.000 0.499 303 N N 0.868 119.443 118.700 -0.209 0.000 2.863 303 N HA -0.138 3.624 4.740 -1.629 0.000 0.245 303 N C -1.343 174.029 175.510 -0.230 0.000 1.001 303 N CA 0.679 53.609 53.050 -0.200 0.000 0.901 303 N CB -2.055 36.294 38.487 -0.230 0.000 1.124 303 N HN 0.498 nan 8.380 nan 0.000 0.582 304 N N 1.196 119.794 118.700 -0.169 0.000 2.402 304 N HA 0.138 3.900 4.740 -1.629 0.000 0.259 304 N C -0.270 175.136 175.510 -0.172 0.000 1.167 304 N CA 0.404 53.349 53.050 -0.176 0.000 0.949 304 N CB 0.181 38.744 38.487 0.126 0.000 1.212 304 N HN 0.246 nan 8.380 nan 0.000 0.493 305 I N 1.607 121.958 120.570 -0.366 0.000 2.465 305 I HA 0.308 3.501 4.170 -1.629 0.000 0.291 305 I C -0.267 175.660 176.117 -0.317 0.000 1.014 305 I CA -0.789 60.303 61.300 -0.347 0.000 1.093 305 I CB 0.909 38.670 38.000 -0.398 0.000 1.267 305 I HN 0.253 nan 8.210 nan 0.000 0.431 306 W N 7.109 128.283 121.300 -0.210 0.000 2.361 306 W HA 0.642 4.322 4.660 -1.632 0.000 0.309 306 W C 0.264 176.675 176.519 -0.181 0.000 1.122 306 W CA -0.495 56.813 57.345 -0.062 0.000 1.208 306 W CB 1.285 30.752 29.460 0.012 0.000 1.246 306 W HN 0.321 nan 8.180 nan 0.000 0.490 307 I N 1.217 121.907 120.570 0.199 0.000 2.569 307 I HA 0.484 3.676 4.170 -1.629 0.000 0.296 307 I C -0.349 175.917 176.117 0.248 0.000 1.028 307 I CA -1.109 60.257 61.300 0.109 0.000 1.082 307 I CB 1.824 39.915 38.000 0.151 0.000 1.264 307 I HN 0.307 nan 8.210 nan 0.000 0.429 308 N N 5.299 124.075 118.700 0.126 0.000 2.422 308 N HA 0.282 4.044 4.740 -1.629 0.000 0.264 308 N C 0.420 175.961 175.510 0.051 0.000 1.063 308 N CA -0.232 52.799 53.050 -0.032 0.000 0.959 308 N CB 1.579 40.041 38.487 -0.041 0.000 1.087 308 N HN 0.841 nan 8.380 nan 0.000 0.483 309 L N 2.968 124.184 121.223 -0.012 0.000 2.109 309 L HA -0.102 3.260 4.340 -1.629 0.000 0.207 309 L C 2.200 179.121 176.870 0.084 0.000 1.086 309 L CA 0.809 55.700 54.840 0.086 0.000 0.760 309 L CB -0.214 41.892 42.059 0.078 0.000 0.910 309 L HN 0.545 nan 8.230 nan 0.000 0.437 310 M N -0.039 119.571 119.600 0.018 0.000 2.132 310 M HA -0.149 3.353 4.480 -1.629 0.000 0.263 310 M C 2.145 178.485 176.300 0.065 0.000 1.065 310 M CA 1.688 57.008 55.300 0.032 0.000 1.122 310 M CB -0.300 32.297 32.600 -0.006 0.000 1.365 310 M HN 0.026 nan 8.290 nan 0.000 0.411 311 E N 0.057 120.316 120.200 0.099 0.000 2.058 311 E HA -0.209 3.164 4.350 -1.629 0.000 0.194 311 E C 2.101 178.806 176.600 0.175 0.000 0.997 311 E CA 1.424 57.926 56.400 0.170 0.000 0.801 311 E CB -1.074 28.800 29.700 0.290 0.000 0.746 311 E HN 0.514 nan 8.360 nan 0.000 0.450 312 L N 1.596 122.988 121.223 0.281 0.000 2.042 312 L HA -0.231 3.132 4.340 -1.629 0.000 0.210 312 L C 2.328 179.202 176.870 0.007 0.000 1.076 312 L CA 2.015 56.943 54.840 0.146 0.000 0.749 312 L CB -0.424 41.809 42.059 0.290 0.000 0.893 312 L HN -0.037 nan 8.230 nan 0.000 0.432 313 K N 0.048 120.489 120.400 0.069 0.000 2.032 313 K HA -0.208 3.135 4.320 -1.629 0.000 0.209 313 K C 2.051 178.649 176.600 -0.003 0.000 1.048 313 K CA 1.941 58.269 56.287 0.069 0.000 0.927 313 K CB -0.222 32.346 32.500 0.113 0.000 0.712 313 K HN 0.334 nan 8.250 nan 0.000 0.441 314 K N -0.144 120.254 120.400 -0.003 0.000 2.097 314 K HA -0.134 3.209 4.320 -1.629 0.000 0.206 314 K C 2.270 178.815 176.600 -0.092 0.000 1.049 314 K CA 1.839 58.110 56.287 -0.027 0.000 0.933 314 K CB -0.203 32.294 32.500 -0.006 0.000 0.717 314 K HN 0.246 nan 8.250 nan 0.000 0.442 315 M N 0.211 119.719 119.600 -0.153 0.000 2.099 315 M HA -0.164 3.339 4.480 -1.629 0.000 0.262 315 M C 1.952 178.087 176.300 -0.277 0.000 1.067 315 M CA 1.392 56.546 55.300 -0.243 0.000 1.124 315 M CB 0.091 32.450 32.600 -0.401 0.000 1.353 315 M HN 0.093 nan 8.290 nan 0.000 0.410 316 M N 0.165 119.546 119.600 -0.365 0.000 2.080 316 M HA -0.222 3.281 4.480 -1.629 0.000 0.260 316 M C 1.637 177.647 176.300 -0.484 0.000 1.068 316 M CA 1.700 56.636 55.300 -0.607 0.000 1.109 316 M CB -1.697 30.193 32.600 -1.183 0.000 1.342 316 M HN 0.238 nan 8.290 nan 0.000 0.405 317 D N 0.222 120.465 120.400 -0.261 0.000 2.092 317 D HA -0.184 3.478 4.640 -1.629 0.000 0.193 317 D C 1.955 178.225 176.300 -0.049 0.000 0.994 317 D CA 1.317 55.296 54.000 -0.036 0.000 0.828 317 D CB -0.284 40.538 40.800 0.037 0.000 0.963 317 D HN 0.494 nan 8.370 nan 0.000 0.450 318 E N 0.307 120.460 120.200 -0.080 0.000 2.070 318 E HA -0.189 3.183 4.350 -1.629 0.000 0.197 318 E C 1.356 177.913 176.600 -0.072 0.000 1.004 318 E CA 1.042 57.401 56.400 -0.068 0.000 0.805 318 E CB 0.115 29.765 29.700 -0.084 0.000 0.744 318 E HN 0.327 nan 8.360 nan 0.000 0.451 319 Q N -0.270 119.464 119.800 -0.110 0.000 2.280 319 Q HA 0.113 3.475 4.340 -1.629 0.000 0.202 319 Q C 0.112 176.077 176.000 -0.058 0.000 0.903 319 Q CA 0.056 55.802 55.803 -0.095 0.000 0.948 319 Q CB 0.378 29.034 28.738 -0.137 0.000 1.058 319 Q HN 0.318 nan 8.270 nan 0.000 0.493 320 L N 0.072 121.273 121.223 -0.037 0.000 3.597 320 L HA -0.278 3.085 4.340 -1.629 0.000 0.440 320 L C 0.813 177.726 176.870 0.070 0.000 1.277 320 L CA 0.397 55.259 54.840 0.036 0.000 0.852 320 L CB -2.539 39.550 42.059 0.052 0.000 1.708 320 L HN 0.470 nan 8.230 nan 0.000 0.885 321 G N -1.653 107.135 108.800 -0.020 0.000 2.175 321 G HA2 -0.264 2.719 3.960 -1.629 0.000 0.265 321 G HA3 -0.264 2.719 3.960 -1.629 0.000 0.265 321 G C 0.153 175.052 174.900 -0.002 0.000 0.979 321 G CA 0.152 45.256 45.100 0.007 0.000 0.663 321 G HN 0.568 nan 8.290 nan 0.000 0.533 322 V N 2.009 121.896 119.914 -0.045 0.000 2.289 322 V HA 0.438 3.580 4.120 -1.629 0.000 0.272 322 V C 0.759 176.791 176.094 -0.103 0.000 1.026 322 V CA -0.756 61.508 62.300 -0.061 0.000 0.807 322 V CB 1.177 32.963 31.823 -0.061 0.000 1.044 322 V HN 0.335 nan 8.190 nan 0.000 0.443 323 L N 4.253 125.410 121.223 -0.110 0.000 2.426 323 L HA 0.375 3.738 4.340 -1.629 0.000 0.271 323 L C 1.099 177.904 176.870 -0.107 0.000 1.169 323 L CA -0.111 54.646 54.840 -0.139 0.000 0.836 323 L CB 0.530 42.499 42.059 -0.150 0.000 1.112 323 L HN 0.557 nan 8.230 nan 0.000 0.465 324 R N 3.727 124.156 120.500 -0.118 0.000 4.609 324 R HA 0.265 3.628 4.340 -1.629 0.000 0.235 324 R C -0.536 175.716 176.300 -0.081 0.000 1.836 324 R CA -0.267 55.775 56.100 -0.096 0.000 1.564 324 R CB -0.453 29.791 30.300 -0.094 0.000 1.382 324 R HN 0.505 nan 8.270 nan 0.000 0.776 325 L N 2.843 124.030 121.223 -0.060 0.000 2.456 325 L HA 0.148 3.510 4.340 -1.629 0.000 0.272 325 L C -1.541 175.306 176.870 -0.038 0.000 1.189 325 L CA -1.747 53.075 54.840 -0.031 0.000 0.846 325 L CB 0.172 42.244 42.059 0.022 0.000 1.111 325 L HN 0.038 nan 8.230 nan 0.000 0.475 326 P HA 0.029 nan 4.420 nan 0.000 0.271 326 P C -0.452 176.819 177.300 -0.049 0.000 1.220 326 P CA -0.105 62.969 63.100 -0.044 0.000 0.768 326 P CB 1.251 32.931 31.700 -0.032 0.000 0.848 327 V N 5.295 125.164 119.914 -0.074 0.000 2.583 327 V HA 0.239 3.382 4.120 -1.629 0.000 0.287 327 V C 0.120 176.157 176.094 -0.095 0.000 1.051 327 V CA -0.281 61.967 62.300 -0.086 0.000 1.010 327 V CB 0.138 31.887 31.823 -0.123 0.000 0.988 327 V HN 0.420 nan 8.190 nan 0.000 0.478 328 M N 7.707 127.259 119.600 -0.080 0.000 2.268 328 M HA 0.535 4.038 4.480 -1.629 0.000 0.344 328 M C -0.206 176.035 176.300 -0.099 0.000 1.106 328 M CA -0.377 54.874 55.300 -0.081 0.000 1.010 328 M CB 1.669 34.243 32.600 -0.044 0.000 1.649 328 M HN 0.522 nan 8.290 nan 0.000 0.443 329 R N 2.843 123.249 120.500 -0.157 0.000 2.346 329 R HA 0.266 3.628 4.340 -1.629 0.000 0.309 329 R C -1.060 175.188 176.300 -0.088 0.000 1.119 329 R CA -0.315 55.665 56.100 -0.200 0.000 1.112 329 R CB 0.387 30.438 30.300 -0.414 0.000 1.132 329 R HN 0.602 nan 8.270 nan 0.000 0.538 330 N N 5.379 124.098 118.700 0.031 0.000 2.462 330 N HA 0.248 4.010 4.740 -1.629 0.000 0.242 330 N C -2.486 173.135 175.510 0.184 0.000 1.010 330 N CA -2.055 51.048 53.050 0.088 0.000 0.939 330 N CB 1.373 39.894 38.487 0.057 0.000 1.127 330 N HN 0.348 nan 8.380 nan 0.000 0.509 331 P HA 0.295 nan 4.420 nan 0.000 0.285 331 P C -0.757 176.571 177.300 0.047 0.000 1.259 331 P CA -0.243 62.964 63.100 0.177 0.000 0.794 331 P CB 1.505 33.318 31.700 0.187 0.000 0.940 332 K N 0.795 121.182 120.400 -0.020 0.000 2.507 332 K HA 0.481 3.823 4.320 -1.629 0.000 0.284 332 K C -0.259 176.291 176.600 -0.083 0.000 1.038 332 K CA -0.473 55.792 56.287 -0.036 0.000 0.903 332 K CB 1.365 33.854 32.500 -0.018 0.000 1.531 332 K HN 0.482 nan 8.250 nan 0.000 0.430 333 T N -2.552 111.953 114.554 -0.082 0.000 2.902 333 T HA 0.221 3.594 4.350 -1.629 0.000 0.283 333 T C 1.231 175.848 174.700 -0.138 0.000 1.009 333 T CA -0.677 61.357 62.100 -0.110 0.000 1.051 333 T CB 1.608 70.418 68.868 -0.097 0.000 0.999 333 T HN 0.236 nan 8.240 nan 0.000 0.474 334 V N 1.452 121.257 119.914 -0.182 0.000 2.278 334 V HA -0.122 3.021 4.120 -1.629 0.000 0.251 334 V C 1.092 176.957 176.094 -0.382 0.000 1.062 334 V CA 2.255 64.402 62.300 -0.254 0.000 1.038 334 V CB -0.799 30.859 31.823 -0.275 0.000 0.646 334 V HN 1.038 nan 8.190 nan 0.000 0.447 335 N N -0.154 118.255 118.700 -0.485 0.000 2.462 335 N HA 0.267 4.029 4.740 -1.629 0.000 0.242 335 N C -1.845 173.564 175.510 -0.169 0.000 1.010 335 N CA -2.281 50.543 53.050 -0.376 0.000 0.939 335 N CB 1.571 39.801 38.487 -0.427 0.000 1.127 335 N HN 0.136 nan 8.380 nan 0.000 0.509 336 P HA -0.139 nan 4.420 nan 0.000 0.216 336 P C 1.206 178.483 177.300 -0.038 0.000 1.150 336 P CA 1.813 64.879 63.100 -0.057 0.000 0.837 336 P CB 0.230 31.911 31.700 -0.032 0.000 0.786 337 Q N -0.065 119.718 119.800 -0.028 0.000 2.230 337 Q HA -0.109 3.253 4.340 -1.629 0.000 0.202 337 Q C 1.018 177.013 176.000 -0.008 0.000 0.963 337 Q CA 1.484 57.283 55.803 -0.008 0.000 0.866 337 Q CB -1.167 27.577 28.738 0.011 0.000 0.931 337 Q HN 0.217 nan 8.270 nan 0.000 0.452 338 D N -0.693 119.696 120.400 -0.019 0.000 2.443 338 D HA 0.215 3.877 4.640 -1.629 0.000 0.221 338 D C 1.016 177.301 176.300 -0.025 0.000 1.097 338 D CA 0.273 54.268 54.000 -0.008 0.000 0.865 338 D CB 1.082 41.895 40.800 0.021 0.000 1.034 338 D HN 0.209 nan 8.370 nan 0.000 0.511 339 S N 2.825 118.513 115.700 -0.020 0.000 2.537 339 S HA -0.165 3.328 4.470 -1.629 0.000 0.240 339 S C 1.162 175.746 174.600 -0.027 0.000 0.981 339 S CA 0.834 59.018 58.200 -0.027 0.000 0.948 339 S CB -0.097 63.090 63.200 -0.021 0.000 0.759 339 S HN 0.583 nan 8.310 nan 0.000 0.531 340 Q N 1.394 121.185 119.800 -0.016 0.000 2.247 340 Q HA 0.224 3.586 4.340 -1.629 0.000 0.211 340 Q C 0.397 176.392 176.000 -0.008 0.000 0.861 340 Q CA 0.034 55.830 55.803 -0.012 0.000 0.949 340 Q CB 0.791 29.528 28.738 -0.001 0.000 1.115 340 Q HN 0.740 nan 8.270 nan 0.000 0.507 341 S N -0.091 115.601 115.700 -0.014 0.000 2.603 341 S HA 0.185 3.678 4.470 -1.629 0.000 0.268 341 S C 0.339 174.910 174.600 -0.048 0.000 1.317 341 S CA -0.727 57.467 58.200 -0.010 0.000 1.012 341 S CB 1.050 64.218 63.200 -0.053 0.000 0.926 341 S HN 0.022 nan 8.310 nan 0.000 0.539 342 T N 2.971 117.503 114.554 -0.035 0.000 2.819 342 T HA -0.002 3.370 4.350 -1.629 0.000 0.282 342 T C 0.311 174.945 174.700 -0.110 0.000 1.013 342 T CA 0.551 62.613 62.100 -0.064 0.000 1.159 342 T CB -0.335 68.510 68.868 -0.039 0.000 1.007 342 T HN 0.502 nan 8.240 nan 0.000 0.514 343 K N 2.748 123.067 120.400 -0.136 0.000 2.368 343 K HA 0.406 3.749 4.320 -1.629 0.000 0.282 343 K C 0.350 176.792 176.600 -0.263 0.000 1.035 343 K CA -0.489 55.684 56.287 -0.191 0.000 0.973 343 K CB 0.618 32.993 32.500 -0.208 0.000 0.957 343 K HN 0.503 nan 8.250 nan 0.000 0.474 344 V N 0.178 119.931 119.914 -0.269 0.000 3.158 344 V HA 0.565 3.708 4.120 -1.629 0.000 0.311 344 V C -1.529 174.400 176.094 -0.274 0.000 1.181 344 V CA -1.078 61.070 62.300 -0.253 0.000 1.054 344 V CB 1.308 33.068 31.823 -0.106 0.000 1.085 344 V HN 0.544 nan 8.190 nan 0.000 0.446 345 Y N 0.262 120.556 120.300 -0.010 0.000 2.361 345 Y HA 0.634 4.207 4.550 -1.629 0.000 0.337 345 Y C -0.011 175.911 175.900 0.036 0.000 0.965 345 Y CA -0.759 57.346 58.100 0.008 0.000 1.091 345 Y CB 2.036 40.510 38.460 0.022 0.000 1.182 345 Y HN 0.670 nan 8.280 nan 0.000 0.450 346 Q N 4.117 124.037 119.800 0.200 0.000 2.340 346 Q HA 0.511 3.874 4.340 -1.629 0.000 0.259 346 Q C -1.015 175.058 176.000 0.121 0.000 0.964 346 Q CA -0.495 55.399 55.803 0.151 0.000 0.900 346 Q CB 1.619 30.421 28.738 0.106 0.000 1.228 346 Q HN 0.555 nan 8.270 nan 0.000 0.449 347 L N 2.955 124.271 121.223 0.155 0.000 2.290 347 L HA 0.413 3.776 4.340 -1.629 0.000 0.284 347 L C -0.104 176.826 176.870 0.099 0.000 1.078 347 L CA -0.025 54.867 54.840 0.086 0.000 0.815 347 L CB 0.628 42.724 42.059 0.062 0.000 1.162 347 L HN 0.629 nan 8.230 nan 0.000 0.435 348 E N 1.819 122.036 120.200 0.028 0.000 2.366 348 E HA 0.563 3.935 4.350 -1.629 0.000 0.278 348 E C -1.313 175.269 176.600 -0.030 0.000 0.923 348 E CA -0.669 55.734 56.400 0.004 0.000 0.761 348 E CB 3.033 32.718 29.700 -0.025 0.000 1.231 348 E HN 0.345 nan 8.360 nan 0.000 0.443 349 V N -1.337 118.552 119.914 -0.043 0.000 2.960 349 V HA 0.984 4.127 4.120 -1.629 0.000 0.315 349 V C -0.579 175.453 176.094 -0.103 0.000 1.087 349 V CA -1.023 61.252 62.300 -0.041 0.000 0.982 349 V CB 1.696 33.526 31.823 0.012 0.000 1.039 349 V HN 0.745 nan 8.190 nan 0.000 0.437 350 A N 3.848 126.651 122.820 -0.027 0.000 2.330 350 A HA 0.662 4.004 4.320 -1.629 0.000 0.327 350 A C 0.745 178.469 177.584 0.233 0.000 1.155 350 A CA -0.381 51.682 52.037 0.044 0.000 0.803 350 A CB 1.515 20.583 19.000 0.113 0.000 1.208 350 A HN 1.382 nan 8.150 nan 0.000 0.477 351 M N 1.971 121.806 119.600 0.392 0.000 2.358 351 M HA 0.041 3.543 4.480 -1.629 0.000 0.264 351 M C 1.353 177.925 176.300 0.454 0.000 1.064 351 M CA 2.285 57.800 55.300 0.359 0.000 1.093 351 M CB -0.275 32.382 32.600 0.094 0.000 1.401 351 M HN 0.595 nan 8.290 nan 0.000 0.440 352 G N 0.281 109.268 108.800 0.311 0.000 2.484 352 G HA2 0.122 3.104 3.960 -1.629 0.000 0.218 352 G HA3 0.122 3.104 3.960 -1.629 0.000 0.218 352 G C 1.557 176.568 174.900 0.185 0.000 1.130 352 G CA 0.559 45.840 45.100 0.302 0.000 0.784 352 G HN 0.649 nan 8.290 nan 0.000 0.543 353 A N 0.861 123.761 122.820 0.133 0.000 2.172 353 A HA 0.430 3.772 4.320 -1.629 0.000 0.216 353 A C 2.511 180.065 177.584 -0.051 0.000 1.154 353 A CA 1.500 53.557 52.037 0.032 0.000 0.701 353 A CB -0.322 18.702 19.000 0.039 0.000 0.789 353 A HN 0.617 nan 8.150 nan 0.000 0.465 354 A N -0.233 122.561 122.820 -0.043 0.000 2.248 354 A HA 0.057 3.400 4.320 -1.629 0.000 0.210 354 A C 1.832 179.067 177.584 -0.582 0.000 1.174 354 A CA 0.859 52.763 52.037 -0.221 0.000 0.750 354 A CB -0.637 18.293 19.000 -0.117 0.000 0.780 354 A HN 0.627 nan 8.150 nan 0.000 0.478 355 I N 0.343 120.433 120.570 -0.799 0.000 2.361 355 I HA -0.237 2.955 4.170 -1.629 0.000 0.251 355 I C 2.379 178.343 176.117 -0.256 0.000 1.133 355 I CA 1.922 62.687 61.300 -0.891 0.000 1.413 355 I CB 0.050 37.810 38.000 -0.399 0.000 1.073 355 I HN 0.483 nan 8.210 nan 0.000 0.424 356 S N -0.031 115.596 115.700 -0.121 0.000 2.528 356 S HA 0.078 3.571 4.470 -1.629 0.000 0.219 356 S C 1.736 176.300 174.600 -0.060 0.000 0.985 356 S CA 0.007 58.196 58.200 -0.018 0.000 0.914 356 S CB -0.223 62.986 63.200 0.015 0.000 0.776 356 S HN 0.492 nan 8.310 nan 0.000 0.526 357 L N -0.620 120.524 121.223 -0.132 0.000 2.249 357 L HA 0.350 3.713 4.340 -1.629 0.000 0.207 357 L C 0.340 177.073 176.870 -0.229 0.000 1.090 357 L CA 0.151 54.870 54.840 -0.203 0.000 0.802 357 L CB -0.347 41.526 42.059 -0.310 0.000 0.947 357 L HN 0.226 nan 8.230 nan 0.000 0.453 358 F N 1.042 120.881 119.950 -0.186 0.000 2.471 358 F HA -0.067 3.484 4.527 -1.627 0.000 0.353 358 F C 1.511 177.283 175.800 -0.046 0.000 1.113 358 F CA 0.118 58.059 58.000 -0.098 0.000 1.262 358 F CB 0.466 39.440 39.000 -0.044 0.000 1.146 358 F HN -0.094 nan 8.300 nan 0.000 0.578 359 D N 1.628 122.121 120.400 0.155 0.000 2.104 359 D HA -0.147 3.516 4.640 -1.629 0.000 0.194 359 D C 0.276 176.644 176.300 0.113 0.000 0.994 359 D CA 1.600 55.655 54.000 0.092 0.000 0.830 359 D CB 0.249 41.087 40.800 0.063 0.000 0.959 359 D HN 0.437 nan 8.370 nan 0.000 0.452 360 R N -0.300 120.294 120.500 0.156 0.000 2.371 360 R HA 0.459 3.821 4.340 -1.629 0.000 0.312 360 R C -0.846 175.558 176.300 0.172 0.000 0.980 360 R CA -0.449 55.729 56.100 0.129 0.000 0.867 360 R CB 1.913 32.263 30.300 0.082 0.000 1.163 360 R HN 0.060 nan 8.270 nan 0.000 0.492 361 S N 1.785 117.606 115.700 0.203 0.000 2.570 361 S HA 0.606 4.099 4.470 -1.629 0.000 0.286 361 S C -0.689 174.106 174.600 0.325 0.000 1.099 361 S CA -0.875 57.494 58.200 0.282 0.000 0.913 361 S CB 2.771 66.126 63.200 0.258 0.000 1.085 361 S HN 0.526 nan 8.310 nan 0.000 0.480 362 E N -0.221 120.178 120.200 0.332 0.000 2.390 362 E HA 0.648 4.021 4.350 -1.629 0.000 0.277 362 E C -1.397 175.290 176.600 0.144 0.000 0.939 362 E CA -1.158 55.425 56.400 0.306 0.000 0.769 362 E CB 2.404 32.258 29.700 0.255 0.000 1.251 362 E HN 0.929 nan 8.360 nan 0.000 0.450 363 A N 1.388 124.214 122.820 0.010 0.000 2.342 363 A HA 0.726 4.068 4.320 -1.629 0.000 0.323 363 A C -0.975 176.542 177.584 -0.113 0.000 1.125 363 A CA -0.536 51.405 52.037 -0.160 0.000 0.785 363 A CB 1.166 19.891 19.000 -0.459 0.000 1.221 363 A HN 0.233 nan 8.150 nan 0.000 0.463 364 V N 2.148 121.976 119.914 -0.143 0.000 2.656 364 V HA 0.387 3.530 4.120 -1.629 0.000 0.307 364 V C -0.162 175.770 176.094 -0.270 0.000 1.051 364 V CA -0.743 61.443 62.300 -0.189 0.000 0.893 364 V CB 1.819 33.554 31.823 -0.146 0.000 0.999 364 V HN 0.672 nan 8.190 nan 0.000 0.426 365 V N 5.042 124.694 119.914 -0.436 0.000 2.470 365 V HA 0.365 3.507 4.120 -1.629 0.000 0.276 365 V C 0.268 176.147 176.094 -0.360 0.000 1.040 365 V CA -0.140 61.846 62.300 -0.524 0.000 1.008 365 V CB 1.111 32.289 31.823 -1.075 0.000 0.990 365 V HN 0.760 nan 8.190 nan 0.000 0.477 366 V N 3.794 123.600 119.914 -0.179 0.000 2.881 366 V HA 0.749 3.891 4.120 -1.629 0.000 0.316 366 V C -2.584 173.510 176.094 0.001 0.000 1.070 366 V CA -2.807 59.455 62.300 -0.063 0.000 0.976 366 V CB 1.536 33.353 31.823 -0.011 0.000 1.038 366 V HN 0.668 nan 8.190 nan 0.000 0.446 367 P HA 0.281 nan 4.420 nan 0.000 0.269 367 P C 0.372 177.736 177.300 0.107 0.000 1.209 367 P CA -0.194 62.956 63.100 0.083 0.000 0.776 367 P CB 0.459 32.206 31.700 0.078 0.000 0.876 368 R N 2.629 123.202 120.500 0.121 0.000 2.211 368 R HA -0.217 3.146 4.340 -1.629 0.000 0.240 368 R C 1.750 178.150 176.300 0.166 0.000 1.144 368 R CA 1.877 58.077 56.100 0.166 0.000 0.992 368 R CB -0.531 29.849 30.300 0.133 0.000 0.869 368 R HN 0.619 nan 8.270 nan 0.000 0.462 369 E N -0.499 119.770 120.200 0.116 0.000 2.401 369 E HA -0.190 3.182 4.350 -1.629 0.000 0.199 369 E C 1.091 177.771 176.600 0.134 0.000 1.023 369 E CA 0.928 57.390 56.400 0.103 0.000 0.859 369 E CB -0.056 29.683 29.700 0.065 0.000 0.780 369 E HN 0.319 nan 8.360 nan 0.000 0.523 370 R N -0.240 120.361 120.500 0.167 0.000 2.334 370 R HA 0.180 3.543 4.340 -1.629 0.000 0.220 370 R C -0.675 175.803 176.300 0.297 0.000 0.917 370 R CA -0.065 56.151 56.100 0.194 0.000 1.073 370 R CB 0.191 30.591 30.300 0.167 0.000 1.056 370 R HN 0.124 nan 8.270 nan 0.000 0.506 371 F N 0.574 120.584 119.950 0.099 0.000 2.941 371 F HA 0.420 3.972 4.527 -1.625 0.000 0.359 371 F C -1.379 174.493 175.800 0.121 0.000 1.231 371 F CA -1.366 56.694 58.000 0.100 0.000 1.089 371 F CB 1.309 40.373 39.000 0.106 0.000 1.407 371 F HN -0.154 nan 8.300 nan 0.000 0.538 372 A N 7.849 130.545 122.820 -0.207 0.000 2.938 372 A HA 0.582 3.924 4.320 -1.629 0.000 0.344 372 A C -2.908 174.409 177.584 -0.444 0.000 1.142 372 A CA -1.391 50.459 52.037 -0.313 0.000 0.841 372 A CB -0.267 18.596 19.000 -0.228 0.000 1.083 372 A HN 0.355 nan 8.150 nan 0.000 0.479 373 P HA 0.335 nan 4.420 nan 0.000 0.278 373 P C -0.495 176.653 177.300 -0.254 0.000 1.238 373 P CA -0.106 62.724 63.100 -0.450 0.000 0.794 373 P CB 1.857 33.218 31.700 -0.564 0.000 0.955 374 V N 4.517 124.344 119.914 -0.145 0.000 2.340 374 V HA 0.172 3.314 4.120 -1.629 0.000 0.277 374 V C 1.003 177.031 176.094 -0.111 0.000 1.017 374 V CA -0.293 61.946 62.300 -0.101 0.000 0.820 374 V CB 1.147 32.991 31.823 0.035 0.000 1.028 374 V HN 0.517 nan 8.190 nan 0.000 0.436 375 K N 1.520 121.880 120.400 -0.066 0.000 2.335 375 K HA 0.212 3.555 4.320 -1.629 0.000 0.195 375 K C 0.909 177.484 176.600 -0.040 0.000 1.058 375 K CA 0.657 56.926 56.287 -0.030 0.000 0.988 375 K CB 0.879 33.402 32.500 0.038 0.000 0.880 375 K HN 0.744 nan 8.250 nan 0.000 0.513 376 T N -3.520 110.997 114.554 -0.061 0.000 2.864 376 T HA 0.239 3.611 4.350 -1.629 0.000 0.289 376 T C 1.239 175.841 174.700 -0.164 0.000 1.082 376 T CA -0.797 61.257 62.100 -0.077 0.000 1.009 376 T CB 1.333 70.174 68.868 -0.045 0.000 1.234 376 T HN -0.002 nan 8.240 nan 0.000 0.526 377 C N 1.219 120.385 119.300 -0.224 0.000 2.435 377 C HA -0.006 3.477 4.460 -1.629 0.000 0.279 377 C C 3.173 177.801 174.990 -0.603 0.000 1.321 377 C CA 1.225 59.916 59.018 -0.545 0.000 1.752 377 C CB -1.519 25.917 27.740 -0.506 0.000 1.959 377 C HN 1.022 nan 8.230 nan 0.000 0.500 378 S N 1.506 117.052 115.700 -0.257 0.000 2.370 378 S HA -0.213 3.280 4.470 -1.629 0.000 0.226 378 S C 1.265 175.787 174.600 -0.129 0.000 1.033 378 S CA 1.905 60.021 58.200 -0.139 0.000 1.011 378 S CB -0.500 62.677 63.200 -0.039 0.000 0.852 378 S HN 0.570 nan 8.310 nan 0.000 0.457 379 D N 1.457 121.775 120.400 -0.136 0.000 2.117 379 D HA -0.002 3.660 4.640 -1.629 0.000 0.198 379 D C 1.915 178.122 176.300 -0.155 0.000 0.982 379 D CA 0.798 54.721 54.000 -0.129 0.000 0.828 379 D CB -0.504 40.222 40.800 -0.122 0.000 0.967 379 D HN 0.333 nan 8.370 nan 0.000 0.464 380 L N 0.893 121.999 121.223 -0.196 0.000 2.046 380 L HA -0.120 3.243 4.340 -1.629 0.000 0.208 380 L C 2.154 178.963 176.870 -0.101 0.000 1.077 380 L CA 1.194 55.936 54.840 -0.163 0.000 0.747 380 L CB -0.754 41.153 42.059 -0.253 0.000 0.896 380 L HN -0.002 nan 8.230 nan 0.000 0.432 381 L N 0.076 121.217 121.223 -0.138 0.000 2.013 381 L HA -0.187 3.176 4.340 -1.629 0.000 0.212 381 L C 2.465 179.368 176.870 0.056 0.000 1.073 381 L CA 2.325 57.244 54.840 0.132 0.000 0.753 381 L CB -1.259 40.910 42.059 0.184 0.000 0.890 381 L HN 0.296 nan 8.230 nan 0.000 0.432 382 A N -0.997 121.827 122.820 0.007 0.000 1.898 382 A HA -0.152 3.191 4.320 -1.629 0.000 0.216 382 A C 2.236 179.873 177.584 0.088 0.000 1.181 382 A CA 1.723 53.805 52.037 0.074 0.000 0.620 382 A CB -0.928 18.145 19.000 0.122 0.000 0.819 382 A HN 0.475 nan 8.150 nan 0.000 0.442 383 L N -0.246 120.889 121.223 -0.147 0.000 2.056 383 L HA -0.075 3.287 4.340 -1.629 0.000 0.207 383 L C 2.459 179.261 176.870 -0.113 0.000 1.078 383 L CA 1.775 56.429 54.840 -0.309 0.000 0.749 383 L CB -0.460 41.358 42.059 -0.403 0.000 0.901 383 L HN 0.318 nan 8.230 nan 0.000 0.433 384 R N -0.603 119.867 120.500 -0.050 0.000 2.148 384 R HA -0.005 3.358 4.340 -1.629 0.000 0.223 384 R C 1.174 177.481 176.300 0.012 0.000 1.088 384 R CA 0.720 56.816 56.100 -0.008 0.000 0.985 384 R CB -0.315 30.019 30.300 0.058 0.000 0.880 384 R HN 0.557 nan 8.270 nan 0.000 0.451 385 S N 1.047 116.764 115.700 0.027 0.000 2.624 385 S HA -0.016 3.477 4.470 -1.629 0.000 0.263 385 S C 0.771 175.389 174.600 0.029 0.000 1.287 385 S CA -0.454 57.754 58.200 0.012 0.000 0.990 385 S CB 1.213 64.411 63.200 -0.003 0.000 0.950 385 S HN 0.244 nan 8.310 nan 0.000 0.561 386 D N 0.326 120.723 120.400 -0.005 0.000 2.392 386 D HA 0.015 3.677 4.640 -1.629 0.000 0.228 386 D C 1.606 177.887 176.300 -0.033 0.000 1.003 386 D CA 0.872 54.864 54.000 -0.014 0.000 0.917 386 D CB -0.675 40.108 40.800 -0.028 0.000 0.890 386 D HN 0.605 nan 8.370 nan 0.000 0.532 387 A N -0.771 122.035 122.820 -0.023 0.000 2.019 387 A HA -0.050 3.292 4.320 -1.629 0.000 0.219 387 A C 0.312 177.733 177.584 -0.272 0.000 1.164 387 A CA 0.658 52.626 52.037 -0.115 0.000 0.644 387 A CB -0.495 18.468 19.000 -0.062 0.000 0.805 387 A HN 0.318 nan 8.150 nan 0.000 0.449 388 Y N -0.750 119.504 120.300 -0.077 0.000 2.429 388 Y HA 0.543 4.115 4.550 -1.631 0.000 0.342 388 Y C 0.229 176.070 175.900 -0.099 0.000 1.004 388 Y CA -0.643 57.400 58.100 -0.095 0.000 1.075 388 Y CB 1.581 39.967 38.460 -0.124 0.000 1.214 388 Y HN 0.242 nan 8.280 nan 0.000 0.455 389 Q N 1.305 121.121 119.800 0.028 0.000 2.423 389 Q HA 0.586 3.949 4.340 -1.629 0.000 0.278 389 Q C -1.493 174.481 176.000 -0.043 0.000 1.097 389 Q CA -1.285 54.507 55.803 -0.018 0.000 0.809 389 Q CB 3.083 31.801 28.738 -0.034 0.000 1.391 389 Q HN 0.377 nan 8.270 nan 0.000 0.428 390 V N 1.857 121.744 119.914 -0.045 0.000 2.461 390 V HA 0.237 3.380 4.120 -1.629 0.000 0.275 390 V C 0.583 176.666 176.094 -0.017 0.000 1.047 390 V CA -0.262 62.009 62.300 -0.049 0.000 0.955 390 V CB 0.828 32.670 31.823 0.033 0.000 0.988 390 V HN 0.930 nan 8.190 nan 0.000 0.471 391 T N 0.557 115.094 114.554 -0.028 0.000 2.881 391 T HA 0.289 3.661 4.350 -1.629 0.000 0.278 391 T C 1.022 175.695 174.700 -0.045 0.000 0.982 391 T CA -0.314 61.769 62.100 -0.027 0.000 0.989 391 T CB 1.440 70.291 68.868 -0.027 0.000 1.058 391 T HN 0.729 nan 8.240 nan 0.000 0.529 392 E N 0.447 120.611 120.200 -0.059 0.000 2.097 392 E HA -0.222 3.150 4.350 -1.629 0.000 0.196 392 E C 1.157 177.571 176.600 -0.309 0.000 1.000 392 E CA 1.697 58.037 56.400 -0.100 0.000 0.804 392 E CB -0.161 29.512 29.700 -0.046 0.000 0.740 392 E HN 0.846 nan 8.360 nan 0.000 0.454 393 D N -0.301 119.901 120.400 -0.329 0.000 2.323 393 D HA -0.120 3.543 4.640 -1.629 0.000 0.239 393 D C -0.025 176.140 176.300 -0.225 0.000 1.129 393 D CA 0.235 53.917 54.000 -0.531 0.000 0.865 393 D CB 0.120 40.807 40.800 -0.188 0.000 0.913 393 D HN 0.085 nan 8.370 nan 0.000 0.517 394 Q N -0.885 118.848 119.800 -0.111 0.000 2.493 394 Q HA -0.192 3.170 4.340 -1.629 0.000 0.260 394 Q C -0.315 175.728 176.000 0.072 0.000 0.905 394 Q CA 0.675 56.517 55.803 0.066 0.000 1.140 394 Q CB -2.000 26.816 28.738 0.130 0.000 1.435 394 Q HN 0.575 nan 8.270 nan 0.000 0.581 395 R N -0.152 120.344 120.500 -0.007 0.000 2.549 395 R HA 0.601 3.964 4.340 -1.629 0.000 0.267 395 R C 0.088 176.311 176.300 -0.129 0.000 1.045 395 R CA -0.797 55.282 56.100 -0.035 0.000 1.115 395 R CB 0.563 30.871 30.300 0.012 0.000 1.121 395 R HN -0.084 nan 8.270 nan 0.000 0.543 396 L N 1.650 122.773 121.223 -0.166 0.000 2.296 396 L HA 0.430 3.793 4.340 -1.629 0.000 0.286 396 L C -0.602 176.290 176.870 0.037 0.000 1.023 396 L CA -0.344 54.403 54.840 -0.155 0.000 0.812 396 L CB 1.844 43.712 42.059 -0.319 0.000 1.223 396 L HN 0.402 nan 8.230 nan 0.000 0.421 397 V N 1.336 121.316 119.914 0.111 0.000 2.971 397 V HA 0.586 3.729 4.120 -1.629 0.000 0.309 397 V C -0.569 175.511 176.094 -0.024 0.000 1.130 397 V CA -1.200 61.170 62.300 0.116 0.000 0.964 397 V CB 1.823 33.664 31.823 0.030 0.000 1.029 397 V HN 0.554 nan 8.190 nan 0.000 0.427 398 L N 4.935 126.018 121.223 -0.233 0.000 2.490 398 L HA 0.440 3.803 4.340 -1.629 0.000 0.274 398 L C 0.870 177.546 176.870 -0.323 0.000 1.201 398 L CA 0.496 54.945 54.840 -0.651 0.000 0.869 398 L CB 0.269 42.039 42.059 -0.481 0.000 1.123 398 L HN 1.250 nan 8.230 nan 0.000 0.484 399 C N 2.742 121.846 119.300 -0.327 0.000 2.703 399 C HA 0.091 3.573 4.460 -1.629 0.000 0.411 399 C C 1.711 176.622 174.990 -0.132 0.000 1.290 399 C CA -0.428 58.482 59.018 -0.179 0.000 2.054 399 C CB 0.077 27.724 27.740 -0.155 0.000 2.732 399 C HN 1.023 nan 8.230 nan 0.000 0.650 400 E N 0.916 121.065 120.200 -0.085 0.000 2.110 400 E HA -0.221 3.152 4.350 -1.629 0.000 0.193 400 E C 2.209 178.776 176.600 -0.056 0.000 0.988 400 E CA 1.980 58.345 56.400 -0.059 0.000 0.804 400 E CB -0.069 29.606 29.700 -0.041 0.000 0.745 400 E HN 0.979 nan 8.360 nan 0.000 0.458 401 E N -0.236 119.928 120.200 -0.060 0.000 2.418 401 E HA -0.114 3.259 4.350 -1.629 0.000 0.197 401 E C 1.555 178.122 176.600 -0.056 0.000 1.026 401 E CA 0.269 56.639 56.400 -0.050 0.000 0.862 401 E CB 0.003 29.676 29.700 -0.046 0.000 0.799 401 E HN -0.016 nan 8.360 nan 0.000 0.518 402 R N 1.068 121.521 120.500 -0.078 0.000 2.319 402 R HA 0.064 3.427 4.340 -1.629 0.000 0.204 402 R C -0.031 176.234 176.300 -0.059 0.000 0.954 402 R CA 0.047 56.099 56.100 -0.079 0.000 1.066 402 R CB -0.605 29.622 30.300 -0.120 0.000 0.991 402 R HN 0.220 nan 8.270 nan 0.000 0.486 403 N N 0.731 119.403 118.700 -0.046 0.000 2.701 403 N HA -0.226 3.536 4.740 -1.629 0.000 0.252 403 N C 0.865 176.365 175.510 -0.017 0.000 1.002 403 N CA 1.379 54.414 53.050 -0.026 0.000 0.758 403 N CB -1.284 37.192 38.487 -0.018 0.000 0.937 403 N HN 0.590 nan 8.380 nan 0.000 0.538 404 G N -1.484 107.301 108.800 -0.026 0.000 2.179 404 G HA2 -0.349 2.634 3.960 -1.629 0.000 0.260 404 G HA3 -0.349 2.634 3.960 -1.629 0.000 0.260 404 G C -0.031 174.867 174.900 -0.004 0.000 0.977 404 G CA 0.717 45.814 45.100 -0.004 0.000 0.641 404 G HN 0.503 nan 8.290 nan 0.000 0.533 405 K N 1.509 121.894 120.400 -0.025 0.000 2.389 405 K HA 0.454 3.797 4.320 -1.629 0.000 0.261 405 K C -2.673 173.903 176.600 -0.040 0.000 1.014 405 K CA -1.972 54.303 56.287 -0.020 0.000 0.920 405 K CB 2.175 34.665 32.500 -0.018 0.000 1.149 405 K HN 0.054 nan 8.250 nan 0.000 0.444 406 P HA 0.070 nan 4.420 nan 0.000 0.269 406 P C -2.518 174.774 177.300 -0.014 0.000 1.215 406 P CA -1.205 61.882 63.100 -0.023 0.000 0.780 406 P CB -0.118 31.616 31.700 0.057 0.000 0.898 407 P HA 0.037 nan 4.420 nan 0.000 0.264 407 P C -0.634 176.670 177.300 0.007 0.000 1.183 407 P CA 0.421 63.519 63.100 -0.004 0.000 0.763 407 P CB 0.130 31.831 31.700 0.002 0.000 0.807 408 A N 4.778 127.600 122.820 0.003 0.000 2.391 408 A HA 0.373 3.715 4.320 -1.629 0.000 0.316 408 A C 0.108 177.701 177.584 0.015 0.000 1.381 408 A CA -0.454 51.586 52.037 0.005 0.000 0.998 408 A CB -0.789 18.211 19.000 0.000 0.000 1.147 408 A HN 0.472 nan 8.150 nan 0.000 0.545 409 I N 2.564 123.144 120.570 0.016 0.000 2.312 409 I HA 0.203 3.396 4.170 -1.629 0.000 0.290 409 I C -0.488 175.647 176.117 0.030 0.000 1.008 409 I CA -0.421 60.894 61.300 0.025 0.000 1.226 409 I CB 1.470 39.483 38.000 0.021 0.000 1.371 409 I HN 0.504 nan 8.210 nan 0.000 0.468 410 D N 8.513 128.939 120.400 0.043 0.000 2.441 410 D HA 0.385 4.048 4.640 -1.629 0.000 0.231 410 D C -0.883 175.464 176.300 0.079 0.000 1.073 410 D CA -0.243 53.792 54.000 0.057 0.000 0.850 410 D CB 0.882 41.715 40.800 0.055 0.000 1.062 410 D HN 0.353 nan 8.370 nan 0.000 0.524 411 L N 2.936 124.219 121.223 0.100 0.000 2.282 411 L HA 0.251 3.613 4.340 -1.629 0.000 0.288 411 L C 0.535 177.580 176.870 0.291 0.000 1.033 411 L CA -1.059 53.880 54.840 0.165 0.000 0.807 411 L CB 1.453 43.590 42.059 0.130 0.000 1.209 411 L HN 0.337 nan 8.230 nan 0.000 0.423 412 D N 2.835 123.481 120.400 0.410 0.000 2.819 412 D HA -0.099 3.564 4.640 -1.629 0.000 0.236 412 D C 1.267 177.686 176.300 0.198 0.000 1.181 412 D CA 0.622 54.808 54.000 0.310 0.000 0.855 412 D CB 1.373 42.416 40.800 0.404 0.000 1.146 412 D HN 0.759 nan 8.370 nan 0.000 0.540 413 G N 3.811 112.660 108.800 0.081 0.000 2.498 413 G HA2 -0.232 2.750 3.960 -1.629 0.000 0.219 413 G HA3 -0.232 2.750 3.960 -1.629 0.000 0.219 413 G C 1.195 176.054 174.900 -0.069 0.000 1.119 413 G CA 0.310 45.425 45.100 0.025 0.000 0.766 413 G HN 0.609 nan 8.290 nan 0.000 0.552 414 E N -0.898 119.182 120.200 -0.199 0.000 2.435 414 E HA 0.035 3.408 4.350 -1.629 0.000 0.195 414 E C 1.429 177.710 176.600 -0.532 0.000 1.029 414 E CA 0.507 56.674 56.400 -0.388 0.000 0.865 414 E CB 0.069 29.441 29.700 -0.547 0.000 0.833 414 E HN 0.710 nan 8.360 nan 0.000 0.510 415 H N -2.634 116.283 119.070 -0.255 0.000 3.266 415 H HA 0.129 3.708 4.556 -1.629 0.000 0.246 415 H C 0.317 175.287 175.328 -0.597 0.000 0.998 415 H CA 0.172 55.880 56.048 -0.567 0.000 1.152 415 H CB 0.711 29.852 29.762 -1.034 0.000 1.466 415 H HN 0.030 nan 8.280 nan 0.000 0.481 416 Y N 0.128 120.545 120.300 0.195 0.000 2.527 416 Y HA 0.224 3.797 4.550 -1.629 0.000 0.247 416 Y C 1.802 177.792 175.900 0.151 0.000 1.138 416 Y CA -0.429 57.799 58.100 0.215 0.000 1.228 416 Y CB 0.618 39.222 38.460 0.241 0.000 1.252 416 Y HN 0.004 nan 8.280 nan 0.000 0.531 417 K N 0.122 120.626 120.400 0.174 0.000 2.076 417 K HA 0.042 3.385 4.320 -1.629 0.000 0.204 417 K C 0.614 177.268 176.600 0.091 0.000 1.051 417 K CA 0.749 57.098 56.287 0.105 0.000 0.949 417 K CB 0.195 32.728 32.500 0.055 0.000 0.726 417 K HN -0.037 nan 8.250 nan 0.000 0.443 418 M N 1.552 121.209 119.600 0.096 0.000 2.235 418 M HA 0.085 3.588 4.480 -1.629 0.000 0.351 418 M C 1.317 177.713 176.300 0.159 0.000 1.178 418 M CA 0.027 55.384 55.300 0.095 0.000 1.143 418 M CB 1.079 33.719 32.600 0.067 0.000 1.530 418 M HN 0.206 nan 8.290 nan 0.000 0.461 419 I N 1.715 122.376 120.570 0.151 0.000 2.361 419 I HA -0.269 2.923 4.170 -1.629 0.000 0.251 419 I C 1.617 177.876 176.117 0.236 0.000 1.133 419 I CA 1.779 63.218 61.300 0.232 0.000 1.413 419 I CB -0.084 38.027 38.000 0.185 0.000 1.073 419 I HN 0.761 nan 8.210 nan 0.000 0.424 420 D N 0.253 120.744 120.400 0.152 0.000 2.149 420 D HA -0.166 3.496 4.640 -1.629 0.000 0.198 420 D C 2.154 178.527 176.300 0.122 0.000 0.990 420 D CA 1.619 55.687 54.000 0.114 0.000 0.839 420 D CB -0.306 40.541 40.800 0.078 0.000 0.948 420 D HN 0.463 nan 8.370 nan 0.000 0.460 421 G N -0.831 108.059 108.800 0.149 0.000 2.394 421 G HA2 -0.230 2.752 3.960 -1.629 0.000 0.215 421 G HA3 -0.230 2.752 3.960 -1.629 0.000 0.215 421 G C 1.415 176.495 174.900 0.301 0.000 1.165 421 G CA 0.364 45.550 45.100 0.143 0.000 0.784 421 G HN 0.337 nan 8.290 nan 0.000 0.535 422 F N 1.849 121.944 119.950 0.241 0.000 2.216 422 F HA 0.011 3.561 4.527 -1.628 0.000 0.300 422 F C 2.456 178.373 175.800 0.196 0.000 1.085 422 F CA 1.590 59.758 58.000 0.280 0.000 1.326 422 F CB -0.168 38.943 39.000 0.184 0.000 1.027 422 F HN 0.263 nan 8.300 nan 0.000 0.497 423 E N 0.138 120.344 120.200 0.010 0.000 2.118 423 E HA -0.259 3.114 4.350 -1.629 0.000 0.195 423 E C 2.102 178.647 176.600 -0.092 0.000 0.992 423 E CA 1.541 57.883 56.400 -0.097 0.000 0.804 423 E CB -0.158 29.555 29.700 0.022 0.000 0.741 423 E HN 0.420 nan 8.360 nan 0.000 0.458 424 K N 0.312 120.711 120.400 -0.002 0.000 2.148 424 K HA -0.135 3.208 4.320 -1.629 0.000 0.204 424 K C 2.056 178.661 176.600 0.008 0.000 1.050 424 K CA 0.508 56.803 56.287 0.013 0.000 0.942 424 K CB -0.060 32.464 32.500 0.040 0.000 0.724 424 K HN 0.015 nan 8.250 nan 0.000 0.446 425 L N 0.476 121.713 121.223 0.023 0.000 2.046 425 L HA -0.136 3.226 4.340 -1.629 0.000 0.208 425 L C 1.710 178.587 176.870 0.013 0.000 1.077 425 L CA 1.602 56.446 54.840 0.008 0.000 0.747 425 L CB -0.090 41.940 42.059 -0.049 0.000 0.896 425 L HN 0.078 nan 8.230 nan 0.000 0.432 426 V N -4.275 115.519 119.914 -0.200 0.000 3.621 426 V HA 0.084 3.227 4.120 -1.629 0.000 0.285 426 V C 2.229 178.262 176.094 -0.102 0.000 1.346 426 V CA 0.489 62.691 62.300 -0.164 0.000 1.104 426 V CB -0.670 30.925 31.823 -0.380 0.000 0.913 426 V HN 0.433 nan 8.190 nan 0.000 0.432 427 K N 2.367 122.715 120.400 -0.086 0.000 2.052 427 K HA -0.200 3.143 4.320 -1.629 0.000 0.215 427 K C 1.780 178.371 176.600 -0.016 0.000 1.053 427 K CA 2.472 58.731 56.287 -0.046 0.000 0.934 427 K CB -0.723 31.760 32.500 -0.029 0.000 0.717 427 K HN 0.595 nan 8.250 nan 0.000 0.450 428 G N -0.381 108.423 108.800 0.007 0.000 3.141 428 G HA2 0.328 3.311 3.960 -1.629 0.000 0.218 428 G HA3 0.328 3.311 3.960 -1.629 0.000 0.218 428 G C 0.001 174.920 174.900 0.031 0.000 1.170 428 G CA 0.328 45.440 45.100 0.020 0.000 0.769 428 G HN 0.627 nan 8.290 nan 0.000 0.546 429 G N -1.074 107.741 108.800 0.024 0.000 2.282 429 G HA2 0.294 3.277 3.960 -1.629 0.000 0.274 429 G HA3 0.294 3.277 3.960 -1.629 0.000 0.274 429 G C -1.132 173.748 174.900 -0.033 0.000 1.718 429 G CA -0.772 44.332 45.100 0.007 0.000 0.927 429 G HN 0.475 nan 8.290 nan 0.000 0.733 430 V N 4.027 123.897 119.914 -0.072 0.000 2.455 430 V HA 0.461 3.604 4.120 -1.629 0.000 0.273 430 V C -1.035 174.935 176.094 -0.206 0.000 1.045 430 V CA -0.902 61.319 62.300 -0.132 0.000 0.976 430 V CB 1.077 32.863 31.823 -0.062 0.000 0.993 430 V HN 0.721 nan 8.190 nan 0.000 0.475 431 P HA 0.131 nan 4.420 nan 0.000 0.274 431 P C -0.191 176.966 177.300 -0.239 0.000 1.237 431 P CA -0.250 62.595 63.100 -0.426 0.000 0.793 431 P CB 0.872 32.031 31.700 -0.903 0.000 0.977 432 S N 0.803 116.409 115.700 -0.157 0.000 2.531 432 S HA 0.178 3.671 4.470 -1.629 0.000 0.279 432 S C 0.743 175.281 174.600 -0.104 0.000 1.305 432 S CA -0.391 57.749 58.200 -0.099 0.000 1.058 432 S CB -0.775 62.387 63.200 -0.065 0.000 0.899 432 S HN 0.377 nan 8.310 nan 0.000 0.493 433 L N 5.265 126.440 121.223 -0.080 0.000 3.135 433 L HA 0.257 3.619 4.340 -1.629 0.000 0.279 433 L C 2.106 178.943 176.870 -0.055 0.000 1.200 433 L CA -0.273 54.529 54.840 -0.064 0.000 1.016 433 L CB 0.000 42.026 42.059 -0.055 0.000 1.391 433 L HN 0.701 nan 8.230 nan 0.000 0.588 434 R N 0.319 120.784 120.500 -0.058 0.000 2.152 434 R HA -0.147 3.216 4.340 -1.629 0.000 0.232 434 R C 1.094 177.358 176.300 -0.059 0.000 1.117 434 R CA 1.273 57.332 56.100 -0.068 0.000 0.981 434 R CB -0.355 29.907 30.300 -0.065 0.000 0.870 434 R HN 0.454 nan 8.270 nan 0.000 0.451 435 Q N 0.348 120.121 119.800 -0.045 0.000 2.280 435 Q HA 0.144 3.507 4.340 -1.629 0.000 0.201 435 Q C -0.128 175.855 176.000 -0.029 0.000 0.890 435 Q CA -0.317 55.465 55.803 -0.035 0.000 0.947 435 Q CB 0.914 29.637 28.738 -0.026 0.000 1.081 435 Q HN 0.271 nan 8.270 nan 0.000 0.502 436 C N 1.672 120.953 119.300 -0.032 0.000 2.325 436 C HA 0.274 3.757 4.460 -1.629 0.000 0.347 436 C C 2.012 176.990 174.990 -0.020 0.000 1.263 436 C CA 0.047 59.053 59.018 -0.021 0.000 1.806 436 C CB 0.345 28.073 27.740 -0.020 0.000 2.405 436 C HN 0.607 nan 8.230 nan 0.000 0.537 437 T N 1.561 116.107 114.554 -0.012 0.000 3.051 437 T HA 0.192 3.565 4.350 -1.629 0.000 0.255 437 T C 0.573 175.271 174.700 -0.004 0.000 1.085 437 T CA 0.553 62.646 62.100 -0.011 0.000 1.109 437 T CB -0.005 68.856 68.868 -0.010 0.000 0.921 437 T HN 0.776 nan 8.240 nan 0.000 0.488 438 S N -0.196 115.507 115.700 0.004 0.000 2.563 438 S HA 0.594 4.086 4.470 -1.629 0.000 0.279 438 S C -2.294 172.321 174.600 0.024 0.000 1.155 438 S CA -0.914 57.293 58.200 0.013 0.000 0.928 438 S CB 1.423 64.630 63.200 0.012 0.000 1.107 438 S HN 0.501 nan 8.310 nan 0.000 0.462 439 L N 4.333 125.575 121.223 0.032 0.000 2.441 439 L HA 0.759 4.121 4.340 -1.629 0.000 0.270 439 L C -0.912 175.991 176.870 0.056 0.000 0.973 439 L CA 0.272 55.143 54.840 0.052 0.000 0.842 439 L CB 2.063 44.161 42.059 0.065 0.000 1.239 439 L HN 0.623 nan 8.230 nan 0.000 0.406 440 T N 4.398 118.987 114.554 0.058 0.000 2.792 440 T HA 0.731 4.103 4.350 -1.629 0.000 0.280 440 T C -0.897 173.841 174.700 0.063 0.000 0.990 440 T CA -0.400 61.735 62.100 0.059 0.000 0.960 440 T CB 1.562 70.461 68.868 0.052 0.000 0.939 440 T HN 0.343 nan 8.240 nan 0.000 0.439 441 V N 4.719 124.675 119.914 0.070 0.000 2.588 441 V HA 0.677 3.819 4.120 -1.629 0.000 0.304 441 V C -0.438 175.759 176.094 0.170 0.000 1.042 441 V CA -0.958 61.382 62.300 0.067 0.000 0.877 441 V CB 1.911 33.708 31.823 -0.044 0.000 0.996 441 V HN 0.666 nan 8.190 nan 0.000 0.425 442 R N 2.484 123.089 120.500 0.176 0.000 2.621 442 R HA 0.752 4.114 4.340 -1.629 0.000 0.284 442 R C 0.247 176.670 176.300 0.205 0.000 0.998 442 R CA 0.161 56.388 56.100 0.212 0.000 0.895 442 R CB 1.761 32.138 30.300 0.128 0.000 1.195 442 R HN 1.206 nan 8.270 nan 0.000 0.450 443 G N 1.455 110.424 108.800 0.283 0.000 2.741 443 G HA2 -0.266 2.717 3.960 -1.629 0.000 0.222 443 G HA3 -0.266 2.717 3.960 -1.629 0.000 0.222 443 G C -0.808 173.985 174.900 -0.180 0.000 1.364 443 G CA -0.802 44.364 45.100 0.110 0.000 0.866 443 G HN 0.432 nan 8.290 nan 0.000 0.555 444 L N -0.077 120.914 121.223 -0.386 0.000 2.361 444 L HA 0.552 3.915 4.340 -1.629 0.000 0.278 444 L C 0.386 177.205 176.870 -0.084 0.000 1.113 444 L CA -0.465 54.189 54.840 -0.310 0.000 0.849 444 L CB 0.978 42.847 42.059 -0.318 0.000 1.155 444 L HN 0.517 nan 8.230 nan 0.000 0.452 445 V N 3.457 123.384 119.914 0.021 0.000 2.932 445 V HA 0.380 3.522 4.120 -1.629 0.000 0.307 445 V C -0.761 175.262 176.094 -0.119 0.000 1.147 445 V CA -0.729 61.519 62.300 -0.088 0.000 0.951 445 V CB 2.493 34.221 31.823 -0.158 0.000 1.031 445 V HN 0.698 nan 8.190 nan 0.000 0.426 446 E N 3.297 123.370 120.200 -0.211 0.000 2.316 446 E HA 0.437 3.809 4.350 -1.629 0.000 0.254 446 E C -1.540 174.938 176.600 -0.202 0.000 0.902 446 E CA -0.495 55.815 56.400 -0.150 0.000 0.801 446 E CB 1.876 31.536 29.700 -0.066 0.000 1.270 446 E HN 0.483 nan 8.360 nan 0.000 0.414 447 F N 1.389 121.313 119.950 -0.044 0.000 2.529 447 F HA 0.265 3.814 4.527 -1.629 0.000 0.365 447 F C 1.424 177.202 175.800 -0.036 0.000 1.102 447 F CA 0.443 58.419 58.000 -0.040 0.000 1.271 447 F CB 0.701 39.671 39.000 -0.050 0.000 1.120 447 F HN 0.460 nan 8.300 nan 0.000 0.579 448 G N 0.801 109.705 108.800 0.174 0.000 2.695 448 G HA2 0.634 3.617 3.960 -1.629 0.000 0.213 448 G HA3 0.634 3.617 3.960 -1.629 0.000 0.213 448 G C -1.040 173.916 174.900 0.093 0.000 1.406 448 G CA -0.406 44.751 45.100 0.096 0.000 1.049 448 G HN 0.850 nan 8.290 nan 0.000 0.573 449 A N -1.255 121.597 122.820 0.052 0.000 2.304 449 A HA 0.543 3.886 4.320 -1.629 0.000 0.301 449 A C 0.079 177.678 177.584 0.024 0.000 1.132 449 A CA 0.313 52.367 52.037 0.029 0.000 0.819 449 A CB 0.004 19.014 19.000 0.017 0.000 1.094 449 A HN 0.795 nan 8.150 nan 0.000 0.492 450 D N -0.343 120.059 120.400 0.004 0.000 2.737 450 D HA -0.136 3.526 4.640 -1.629 0.000 0.233 450 D C -0.198 176.104 176.300 0.003 0.000 1.155 450 D CA 1.075 55.073 54.000 -0.004 0.000 0.667 450 D CB -1.643 39.157 40.800 -0.000 0.000 1.060 450 D HN 0.306 nan 8.370 nan 0.000 0.427 451 V N 0.383 120.302 119.914 0.009 0.000 2.572 451 V HA 0.214 3.357 4.120 -1.629 0.000 0.291 451 V C 0.789 176.868 176.094 -0.026 0.000 1.039 451 V CA 0.098 62.415 62.300 0.029 0.000 1.055 451 V CB 1.697 33.598 31.823 0.130 0.000 0.969 451 V HN 0.315 nan 8.190 nan 0.000 0.482 452 S N 5.184 120.882 115.700 -0.002 0.000 2.438 452 S HA 0.556 4.049 4.470 -1.629 0.000 0.316 452 S C -0.741 173.855 174.600 -0.006 0.000 1.084 452 S CA -0.603 57.586 58.200 -0.019 0.000 1.107 452 S CB 1.088 64.282 63.200 -0.009 0.000 0.981 452 S HN 0.462 nan 8.310 nan 0.000 0.466 453 V N 6.901 126.797 119.914 -0.030 0.000 2.394 453 V HA 0.577 3.720 4.120 -1.629 0.000 0.282 453 V C 0.067 176.156 176.094 -0.008 0.000 1.031 453 V CA -0.568 61.730 62.300 -0.004 0.000 0.881 453 V CB 1.158 32.973 31.823 -0.013 0.000 0.982 453 V HN 0.842 nan 8.190 nan 0.000 0.451 454 R N 2.945 123.448 120.500 0.005 0.000 2.628 454 R HA 0.710 4.073 4.340 -1.629 0.000 0.288 454 R C 0.602 176.904 176.300 0.004 0.000 0.980 454 R CA 0.076 56.175 56.100 -0.001 0.000 0.891 454 R CB 2.032 32.332 30.300 -0.001 0.000 1.188 454 R HN 1.017 nan 8.270 nan 0.000 0.450 455 G N 2.483 111.282 108.800 -0.002 0.000 2.527 455 G HA2 -0.348 2.635 3.960 -1.629 0.000 0.268 455 G HA3 -0.348 2.635 3.960 -1.629 0.000 0.268 455 G C -0.676 174.227 174.900 0.005 0.000 1.175 455 G CA -0.231 44.870 45.100 0.001 0.000 0.962 455 G HN 0.675 nan 8.290 nan 0.000 0.560 456 N N 0.164 118.870 118.700 0.009 0.000 2.527 456 N HA 0.495 4.257 4.740 -1.629 0.000 0.236 456 N C -0.633 174.890 175.510 0.022 0.000 0.999 456 N CA -0.448 52.611 53.050 0.014 0.000 0.935 456 N CB 2.018 40.512 38.487 0.012 0.000 1.132 456 N HN 0.450 nan 8.380 nan 0.000 0.511 457 V N 2.866 122.798 119.914 0.031 0.000 2.435 457 V HA 0.392 3.534 4.120 -1.629 0.000 0.290 457 V C 0.007 176.130 176.094 0.047 0.000 1.030 457 V CA -0.694 61.631 62.300 0.043 0.000 0.881 457 V CB 1.695 33.554 31.823 0.060 0.000 0.983 457 V HN 0.245 nan 8.190 nan 0.000 0.445 458 V N 6.400 126.338 119.914 0.040 0.000 2.495 458 V HA 0.560 3.703 4.120 -1.629 0.000 0.298 458 V C -0.315 175.798 176.094 0.032 0.000 1.031 458 V CA -0.456 61.867 62.300 0.038 0.000 0.871 458 V CB 1.883 33.725 31.823 0.032 0.000 0.988 458 V HN 0.690 nan 8.190 nan 0.000 0.432 459 I N 4.529 125.116 120.570 0.028 0.000 2.476 459 I HA 0.456 3.648 4.170 -1.629 0.000 0.281 459 I C -0.305 175.819 176.117 0.011 0.000 1.040 459 I CA -0.469 60.832 61.300 0.001 0.000 1.094 459 I CB 1.475 39.447 38.000 -0.048 0.000 1.219 459 I HN 0.447 nan 8.210 nan 0.000 0.450 460 K N 4.297 124.705 120.400 0.013 0.000 2.339 460 K HA 0.367 3.709 4.320 -1.629 0.000 0.264 460 K C -0.860 175.748 176.600 0.013 0.000 0.986 460 K CA -0.725 55.579 56.287 0.028 0.000 0.866 460 K CB 1.857 34.376 32.500 0.031 0.000 1.103 460 K HN 0.384 nan 8.250 nan 0.000 0.441 461 N N 3.842 122.551 118.700 0.016 0.000 2.424 461 N HA 0.236 3.999 4.740 -1.629 0.000 0.271 461 N C -0.136 175.381 175.510 0.012 0.000 0.985 461 N CA -0.353 52.696 53.050 -0.002 0.000 0.921 461 N CB 0.943 39.412 38.487 -0.029 0.000 1.149 461 N HN 0.496 nan 8.380 nan 0.000 0.492 462 L N 1.709 122.937 121.223 0.009 0.000 2.693 462 L HA 0.322 3.685 4.340 -1.629 0.000 0.235 462 L C 0.854 177.728 176.870 0.007 0.000 1.127 462 L CA 0.059 54.908 54.840 0.016 0.000 0.914 462 L CB 0.072 42.141 42.059 0.016 0.000 1.193 462 L HN 0.392 nan 8.230 nan 0.000 0.502 463 K N 0.333 120.730 120.400 -0.005 0.000 2.107 463 K HA 0.118 3.461 4.320 -1.629 0.000 0.251 463 K C 0.616 177.206 176.600 -0.016 0.000 1.012 463 K CA -0.467 55.815 56.287 -0.010 0.000 0.920 463 K CB 1.062 33.553 32.500 -0.016 0.000 1.033 463 K HN -0.077 nan 8.250 nan 0.000 0.478 464 E N 1.298 121.490 120.200 -0.015 0.000 2.112 464 E HA -0.106 3.266 4.350 -1.629 0.000 0.190 464 E C 0.079 176.659 176.600 -0.033 0.000 0.979 464 E CA 0.714 57.103 56.400 -0.019 0.000 0.814 464 E CB 0.050 29.744 29.700 -0.009 0.000 0.762 464 E HN 0.618 nan 8.360 nan 0.000 0.460 465 E N 2.853 123.036 120.200 -0.029 0.000 2.415 465 E HA 0.107 3.480 4.350 -1.629 0.000 0.263 465 E C -2.369 174.202 176.600 -0.048 0.000 0.995 465 E CA -1.895 54.484 56.400 -0.034 0.000 0.915 465 E CB 0.032 29.717 29.700 -0.026 0.000 0.951 465 E HN -0.206 nan 8.360 nan 0.000 0.449 466 P HA -0.093 nan 4.420 nan 0.000 0.264 466 P C -0.693 176.570 177.300 -0.062 0.000 1.183 466 P CA -0.195 62.865 63.100 -0.067 0.000 0.763 466 P CB 0.281 31.946 31.700 -0.059 0.000 0.807 467 L N 5.566 126.745 121.223 -0.075 0.000 2.385 467 L HA 0.254 3.616 4.340 -1.629 0.000 0.281 467 L C -0.534 176.273 176.870 -0.105 0.000 1.106 467 L CA 0.132 54.924 54.840 -0.080 0.000 0.856 467 L CB -0.719 41.289 42.059 -0.085 0.000 1.186 467 L HN 0.227 nan 8.230 nan 0.000 0.453 468 I N 6.204 126.725 120.570 -0.080 0.000 2.365 468 I HA 0.234 3.426 4.170 -1.629 0.000 0.291 468 I C -0.165 175.901 176.117 -0.085 0.000 1.004 468 I CA -0.373 60.879 61.300 -0.081 0.000 1.311 468 I CB 0.992 38.965 38.000 -0.045 0.000 1.401 468 I HN 0.388 nan 8.210 nan 0.000 0.491 469 I N 6.013 126.515 120.570 -0.113 0.000 2.291 469 I HA 0.212 3.404 4.170 -1.629 0.000 0.292 469 I C 1.083 177.207 176.117 0.012 0.000 1.064 469 I CA -0.158 61.102 61.300 -0.066 0.000 1.269 469 I CB 0.136 38.066 38.000 -0.117 0.000 1.418 469 I HN 0.623 nan 8.210 nan 0.000 0.485 470 G N 4.968 113.775 108.800 0.011 0.000 2.464 470 G HA2 0.055 3.037 3.960 -1.629 0.000 0.231 470 G HA3 0.055 3.037 3.960 -1.629 0.000 0.231 470 G C 0.283 175.208 174.900 0.041 0.000 1.267 470 G CA -0.295 44.817 45.100 0.020 0.000 0.863 470 G HN 0.653 nan 8.290 nan 0.000 0.559 471 S N 0.460 116.181 115.700 0.034 0.000 2.537 471 S HA 0.399 3.892 4.470 -1.629 0.000 0.286 471 S C 1.538 176.157 174.600 0.030 0.000 1.299 471 S CA 0.830 59.052 58.200 0.036 0.000 1.067 471 S CB 0.932 64.147 63.200 0.025 0.000 0.864 471 S HN 2.000 nan 8.310 nan 0.000 0.494 472 G N 2.368 111.188 108.800 0.032 0.000 2.179 472 G HA2 -0.300 2.682 3.960 -1.629 0.000 0.260 472 G HA3 -0.300 2.682 3.960 -1.629 0.000 0.260 472 G C 0.157 175.073 174.900 0.028 0.000 0.977 472 G CA 0.254 45.368 45.100 0.023 0.000 0.641 472 G HN 0.728 nan 8.290 nan 0.000 0.533 473 R N 0.585 121.110 120.500 0.041 0.000 2.502 473 R HA 0.395 3.758 4.340 -1.629 0.000 0.292 473 R C 0.258 176.586 176.300 0.047 0.000 0.998 473 R CA 0.312 56.439 56.100 0.045 0.000 1.056 473 R CB 0.389 30.724 30.300 0.059 0.000 0.939 473 R HN 0.230 nan 8.270 nan 0.000 0.411 474 V N 7.633 127.567 119.914 0.034 0.000 2.364 474 V HA 0.252 3.395 4.120 -1.629 0.000 0.272 474 V C 0.016 176.131 176.094 0.035 0.000 1.036 474 V CA -0.553 61.764 62.300 0.029 0.000 0.880 474 V CB 1.069 32.902 31.823 0.017 0.000 0.991 474 V HN 0.623 nan 8.190 nan 0.000 0.460 475 L N 4.792 126.042 121.223 0.046 0.000 2.283 475 L HA 0.497 3.860 4.340 -1.629 0.000 0.281 475 L C -0.338 176.552 176.870 0.033 0.000 1.033 475 L CA -0.141 54.727 54.840 0.047 0.000 0.848 475 L CB 1.107 43.213 42.059 0.077 0.000 1.226 475 L HN 0.528 nan 8.230 nan 0.000 0.429 476 D N 4.403 124.817 120.400 0.023 0.000 2.460 476 D HA 0.136 3.799 4.640 -1.629 0.000 0.232 476 D C 0.317 176.626 176.300 0.014 0.000 1.079 476 D CA -0.184 53.825 54.000 0.015 0.000 0.864 476 D CB 0.455 41.261 40.800 0.011 0.000 1.048 476 D HN 0.362 nan 8.370 nan 0.000 0.523 477 N N 2.397 121.106 118.700 0.015 0.000 2.710 477 N HA -0.258 3.505 4.740 -1.629 0.000 0.249 477 N C -0.474 175.046 175.510 0.016 0.000 1.059 477 N CA 0.807 53.865 53.050 0.014 0.000 0.720 477 N CB -0.408 38.084 38.487 0.009 0.000 0.983 477 N HN 0.702 nan 8.380 nan 0.000 0.544 478 E N -0.245 119.967 120.200 0.021 0.000 2.202 478 E HA 0.494 3.866 4.350 -1.629 0.000 0.272 478 E C -0.796 175.817 176.600 0.022 0.000 0.951 478 E CA -0.713 55.700 56.400 0.020 0.000 0.813 478 E CB 1.621 31.334 29.700 0.022 0.000 1.151 478 E HN -0.036 nan 8.360 nan 0.000 0.398 479 V N 4.331 124.256 119.914 0.018 0.000 2.384 479 V HA 0.279 3.422 4.120 -1.629 0.000 0.287 479 V C -0.587 175.515 176.094 0.014 0.000 1.020 479 V CA -0.704 61.607 62.300 0.018 0.000 0.850 479 V CB 1.567 33.400 31.823 0.016 0.000 0.987 479 V HN 0.498 nan 8.190 nan 0.000 0.436 480 V N 6.244 126.165 119.914 0.012 0.000 2.357 480 V HA 0.509 3.651 4.120 -1.629 0.000 0.284 480 V C -0.321 175.775 176.094 0.002 0.000 1.018 480 V CA -0.495 61.808 62.300 0.004 0.000 0.841 480 V CB 1.784 33.604 31.823 -0.004 0.000 0.991 480 V HN 0.603 nan 8.190 nan 0.000 0.437 481 V N 5.603 125.518 119.914 0.002 0.000 2.443 481 V HA 0.471 3.614 4.120 -1.629 0.000 0.293 481 V C -0.288 175.805 176.094 -0.001 0.000 1.021 481 V CA -0.641 61.661 62.300 0.003 0.000 0.848 481 V CB 1.840 33.667 31.823 0.008 0.000 0.998 481 V HN 0.542 nan 8.190 nan 0.000 0.424 482 V N 5.932 125.843 119.914 -0.005 0.000 2.398 482 V HA 0.595 3.738 4.120 -1.629 0.000 0.286 482 V C 0.095 176.187 176.094 -0.004 0.000 1.026 482 V CA -0.252 62.043 62.300 -0.008 0.000 0.868 482 V CB 1.577 33.389 31.823 -0.017 0.000 0.982 482 V HN 1.060 nan 8.190 nan 0.000 0.443 483 E N 0.000 120.199 120.200 -0.002 0.000 2.725 483 E HA 0.000 3.373 4.350 -1.629 0.000 0.291 483 E CA 0.000 56.400 56.400 0.000 0.000 0.976 483 E CB 0.000 29.702 29.700 0.004 0.000 0.812 483 E HN 0.000 nan 8.360 nan 0.000 0.440