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 3cx4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQVLHVCSEM FPLLKTGGLA DVIGALPAAQ IADGVDARVL LPAFPDIRRG DATA SEQUENCE VTDAQVVSRR DTFAGHITLL FGHYNGVGIY LIDAPHLYDR PGSPYHDTNL DATA SEQUENCE FAYTDNVLRF ALLGWVGAEM ASGLDPFWRP DVVHAHDWHA GLAPAYLAAR DATA SEQUENCE GRPAKSVFTV HNLAYQGMFY AHHMNDIQLP WSFFNIHGLE FNGQISFLKA DATA SEQUENCE GLYYADHITA VSPTYAREIT EPQFAYGMEG LLQQRHREGR LSGVLNGVDE DATA SEQUENCE KIWSPETDLL LASRYTRDTL EDKAENKRQL QIAMGLKVDD KVPLFAVVSR DATA SEQUENCE LTSQKGLDLV LEALPGLLEQ GGQLALLGAG DPVLQEGFLA AAAEYPGQVG DATA SEQUENCE VQIGYHEAFS HRIMGGADVI LVPSRFAPCG LTQLYGLKYG TLPLVRRTGG DATA SEQUENCE LADTVSDCSL ENLADGVASG FVFEDSNAWS LLRAIRRAFV LWSRPSLWRF DATA SEQUENCE VQRQAMAMDF SWQVAAKSYR ELYYRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.283 176.300 -0.029 0.000 1.140 1 M CA 0.000 55.256 55.300 -0.074 0.000 0.988 1 M CB 0.000 32.523 32.600 -0.128 0.000 1.302 2 Q N 3.191 122.913 119.800 -0.130 0.000 2.325 2 Q HA 0.823 5.163 4.340 0.000 0.000 0.262 2 Q C -1.195 174.726 176.000 -0.132 0.000 0.968 2 Q CA -0.935 54.817 55.803 -0.085 0.000 0.877 2 Q CB 2.612 31.101 28.738 -0.414 0.000 1.253 2 Q HN 0.592 nan 8.270 nan 0.000 0.448 3 V N 3.472 123.428 119.914 0.070 0.000 2.540 3 V HA 0.396 4.516 4.120 0.000 0.000 0.302 3 V C -0.960 175.250 176.094 0.194 0.000 1.035 3 V CA -0.847 61.416 62.300 -0.061 0.000 0.873 3 V CB 1.795 33.447 31.823 -0.286 0.000 0.992 3 V HN 0.573 nan 8.190 nan 0.000 0.428 4 L N 5.004 126.302 121.223 0.125 0.000 2.280 4 L HA 0.551 4.891 4.340 0.000 0.000 0.287 4 L C -0.169 176.726 176.870 0.042 0.000 1.023 4 L CA 0.052 55.023 54.840 0.219 0.000 0.819 4 L CB 0.833 43.072 42.059 0.300 0.000 1.212 4 L HN 0.601 nan 8.230 nan 0.000 0.420 5 H N 4.617 123.803 119.070 0.194 0.000 2.580 5 H HA 0.388 4.945 4.556 0.001 0.000 0.322 5 H C -0.810 174.637 175.328 0.198 0.000 1.082 5 H CA -0.333 55.834 56.048 0.199 0.000 1.383 5 H CB 1.574 31.386 29.762 0.084 0.000 1.450 5 H HN 0.364 nan 8.280 nan 0.000 0.505 6 V N 4.499 124.634 119.914 0.369 0.000 2.409 6 V HA 0.319 4.439 4.120 0.000 0.000 0.291 6 V C 0.307 176.600 176.094 0.331 0.000 1.020 6 V CA -0.495 61.977 62.300 0.287 0.000 0.848 6 V CB 0.797 32.776 31.823 0.260 0.000 0.990 6 V HN 1.042 nan 8.190 nan 0.000 0.430 7 C N 2.161 121.592 119.300 0.219 0.000 3.284 7 C HA 0.711 5.171 4.460 0.000 0.000 0.348 7 C C 0.807 175.872 174.990 0.125 0.000 1.448 7 C CA -0.005 59.122 59.018 0.181 0.000 1.223 7 C CB 1.274 29.029 27.740 0.025 0.000 1.588 7 C HN 0.815 nan 8.230 nan 0.000 0.451 8 S N -0.924 114.838 115.700 0.102 0.000 2.603 8 S HA 0.418 4.888 4.470 0.000 0.000 0.232 8 S C -0.135 174.505 174.600 0.066 0.000 1.016 8 S CA 0.078 58.353 58.200 0.125 0.000 0.976 8 S CB -0.448 62.864 63.200 0.186 0.000 0.921 8 S HN 1.029 nan 8.310 nan 0.000 0.516 9 E N 0.380 120.571 120.200 -0.014 0.000 2.433 9 E HA 0.707 5.058 4.350 0.000 0.000 0.278 9 E C -1.379 175.179 176.600 -0.069 0.000 0.976 9 E CA -1.153 55.220 56.400 -0.045 0.000 0.793 9 E CB 1.496 31.159 29.700 -0.062 0.000 1.311 9 E HN 0.206 nan 8.360 nan 0.000 0.460 10 M N 2.231 121.789 119.600 -0.070 0.000 2.296 10 M HA 0.302 4.782 4.480 0.000 0.000 0.268 10 M C -2.037 174.232 176.300 -0.052 0.000 1.048 10 M CA -0.683 54.575 55.300 -0.070 0.000 0.966 10 M CB 1.618 34.141 32.600 -0.128 0.000 1.912 10 M HN 0.730 nan 8.290 nan 0.000 0.484 11 F N 7.982 127.887 119.950 -0.076 0.000 2.471 11 F HA 0.466 4.993 4.527 0.000 0.000 0.353 11 F C -1.615 174.141 175.800 -0.074 0.000 1.113 11 F CA -0.822 57.157 58.000 -0.036 0.000 1.262 11 F CB 0.999 40.036 39.000 0.062 0.000 1.146 11 F HN 0.424 nan 8.300 nan 0.000 0.578 12 P HA 0.047 nan 4.420 nan 0.000 0.261 12 P C 1.253 178.163 177.300 -0.650 0.000 1.268 12 P CA 0.601 62.826 63.100 -1.459 0.000 0.833 12 P CB 0.213 31.115 31.700 -1.331 0.000 1.231 13 L N -0.968 119.937 121.223 -0.530 0.000 2.027 13 L HA 0.020 4.360 4.340 0.000 0.000 0.206 13 L C 0.993 177.714 176.870 -0.250 0.000 1.074 13 L CA 1.112 55.711 54.840 -0.402 0.000 0.745 13 L CB -0.331 41.462 42.059 -0.443 0.000 0.898 13 L HN 0.060 nan 8.230 nan 0.000 0.433 14 L N -0.133 120.972 121.223 -0.196 0.000 2.505 14 L HA 0.458 4.798 4.340 0.000 0.000 0.266 14 L C -0.919 175.891 176.870 -0.101 0.000 0.954 14 L CA -0.447 54.299 54.840 -0.157 0.000 0.852 14 L CB 1.579 43.545 42.059 -0.154 0.000 1.282 14 L HN -0.015 nan 8.230 nan 0.000 0.403 15 K N 1.892 122.230 120.400 -0.102 0.000 2.553 15 K HA 0.556 4.876 4.320 0.000 0.000 0.250 15 K C -0.229 176.273 176.600 -0.163 0.000 0.953 15 K CA 0.315 56.589 56.287 -0.023 0.000 0.800 15 K CB 1.812 34.429 32.500 0.195 0.000 1.243 15 K HN 0.733 nan 8.250 nan 0.000 0.435 16 T N -0.428 114.080 114.554 -0.077 0.000 2.975 16 T HA 0.437 4.788 4.350 0.000 0.000 0.257 16 T C 0.674 175.425 174.700 0.085 0.000 1.003 16 T CA 0.445 62.495 62.100 -0.083 0.000 0.932 16 T CB 0.627 69.507 68.868 0.020 0.000 1.087 16 T HN 0.660 nan 8.240 nan 0.000 0.512 17 G N -0.089 108.789 108.800 0.131 0.000 0.000 17 G HA2 0.445 4.405 3.960 0.000 0.000 0.000 17 G HA3 0.445 4.405 3.960 0.000 0.000 0.000 17 G C 0.709 175.690 174.900 0.135 0.000 0.000 17 G CA 0.010 45.207 45.100 0.161 0.000 0.000 17 G HN 0.209 nan 8.290 nan 0.000 0.000 18 G N -0.174 108.683 108.800 0.095 0.000 2.432 18 G HA2 -0.025 3.935 3.960 0.000 0.000 0.219 18 G HA3 -0.025 3.935 3.960 0.000 0.000 0.219 18 G C 1.768 176.730 174.900 0.103 0.000 1.135 18 G CA 1.160 46.311 45.100 0.085 0.000 0.767 18 G HN 0.537 nan 8.290 nan 0.000 0.550 19 L N 0.551 121.807 121.223 0.056 0.000 2.013 19 L HA -0.171 4.170 4.340 0.000 0.000 0.212 19 L C 3.214 180.049 176.870 -0.058 0.000 1.073 19 L CA 1.815 56.611 54.840 -0.073 0.000 0.753 19 L CB -0.389 41.587 42.059 -0.138 0.000 0.890 19 L HN 0.340 nan 8.230 nan 0.000 0.432 20 A N -0.450 122.381 122.820 0.018 0.000 1.933 20 A HA -0.254 4.066 4.320 0.000 0.000 0.218 20 A C 1.792 179.448 177.584 0.120 0.000 1.175 20 A CA 1.930 54.001 52.037 0.056 0.000 0.628 20 A CB -0.593 18.479 19.000 0.119 0.000 0.814 20 A HN 0.502 nan 8.150 nan 0.000 0.444 21 D N -0.185 120.306 120.400 0.151 0.000 2.123 21 D HA -0.114 4.527 4.640 0.000 0.000 0.196 21 D C 2.079 178.450 176.300 0.118 0.000 0.992 21 D CA 1.467 55.567 54.000 0.167 0.000 0.833 21 D CB -0.501 40.429 40.800 0.217 0.000 0.954 21 D HN 0.240 nan 8.370 nan 0.000 0.455 22 V N 1.506 121.474 119.914 0.090 0.000 2.261 22 V HA -0.211 3.909 4.120 0.000 0.000 0.246 22 V C 2.413 178.275 176.094 -0.386 0.000 1.047 22 V CA 1.053 63.303 62.300 -0.083 0.000 1.015 22 V CB -0.284 31.621 31.823 0.136 0.000 0.642 22 V HN 0.169 nan 8.190 nan 0.000 0.446 23 I N 1.249 121.642 120.570 -0.295 0.000 2.493 23 I HA -0.114 4.056 4.170 0.000 0.000 0.254 23 I C 2.504 178.463 176.117 -0.264 0.000 1.160 23 I CA 1.828 62.907 61.300 -0.368 0.000 1.445 23 I CB -1.898 35.916 38.000 -0.309 0.000 1.086 23 I HN 0.412 nan 8.210 nan 0.000 0.433 24 G N -0.091 108.634 108.800 -0.124 0.000 2.598 24 G HA2 0.110 4.070 3.960 0.000 0.000 0.215 24 G HA3 0.110 4.070 3.960 0.000 0.000 0.215 24 G C 1.488 176.345 174.900 -0.071 0.000 1.131 24 G CA 0.854 45.950 45.100 -0.007 0.000 0.785 24 G HN 0.501 nan 8.290 nan 0.000 0.539 25 A N -0.782 121.858 122.820 -0.301 0.000 2.027 25 A HA 0.437 4.757 4.320 0.000 0.000 0.196 25 A C 1.882 179.055 177.584 -0.685 0.000 1.573 25 A CA 0.026 51.811 52.037 -0.420 0.000 1.097 25 A CB -0.147 18.603 19.000 -0.416 0.000 1.196 25 A HN 0.191 nan 8.150 nan 0.000 0.462 26 L N 0.515 121.155 121.223 -0.971 0.000 1.994 26 L HA -0.059 4.281 4.340 0.000 0.000 0.208 26 L C -0.840 175.850 176.870 -0.300 0.000 1.071 26 L CA 2.023 56.413 54.840 -0.750 0.000 0.745 26 L CB -0.903 40.679 42.059 -0.795 0.000 0.892 26 L HN 0.185 nan 8.230 nan 0.000 0.431 27 P HA -0.182 nan 4.420 nan 0.000 0.215 27 P C 1.457 178.759 177.300 0.004 0.000 1.157 27 P CA 1.952 64.999 63.100 -0.088 0.000 0.874 27 P CB -0.090 31.551 31.700 -0.097 0.000 0.790 28 A N -0.128 122.676 122.820 -0.026 0.000 1.940 28 A HA -0.174 4.146 4.320 0.000 0.000 0.219 28 A C 2.320 179.945 177.584 0.068 0.000 1.176 28 A CA 2.262 54.315 52.037 0.026 0.000 0.631 28 A CB -1.633 17.378 19.000 0.017 0.000 0.814 28 A HN 0.210 nan 8.150 nan 0.000 0.446 29 A N -0.801 122.063 122.820 0.072 0.000 1.898 29 A HA -0.190 4.131 4.320 0.000 0.000 0.216 29 A C 2.115 179.803 177.584 0.175 0.000 1.181 29 A CA 1.567 53.697 52.037 0.154 0.000 0.620 29 A CB -0.549 18.602 19.000 0.252 0.000 0.819 29 A HN 0.656 nan 8.150 nan 0.000 0.442 30 Q N -0.584 119.323 119.800 0.179 0.000 2.124 30 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 30 Q C 2.001 178.123 176.000 0.204 0.000 0.977 30 Q CA 1.515 57.457 55.803 0.232 0.000 0.850 30 Q CB -0.341 28.570 28.738 0.288 0.000 0.901 30 Q HN 0.741 nan 8.270 nan 0.000 0.429 31 I N 0.659 121.327 120.570 0.165 0.000 2.226 31 I HA -0.273 3.897 4.170 0.000 0.000 0.245 31 I C 2.408 178.603 176.117 0.129 0.000 1.100 31 I CA 0.992 62.380 61.300 0.146 0.000 1.374 31 I CB -0.357 37.713 38.000 0.116 0.000 1.057 31 I HN 0.150 nan 8.210 nan 0.000 0.413 32 A N 0.009 122.901 122.820 0.119 0.000 1.933 32 A HA -0.287 4.033 4.320 0.000 0.000 0.218 32 A C 1.898 179.551 177.584 0.115 0.000 1.175 32 A CA 2.262 54.363 52.037 0.106 0.000 0.628 32 A CB -0.595 18.467 19.000 0.102 0.000 0.814 32 A HN 0.473 nan 8.150 nan 0.000 0.444 33 D N -2.140 118.345 120.400 0.141 0.000 2.328 33 D HA 0.308 4.948 4.640 0.000 0.000 0.221 33 D C 0.984 177.379 176.300 0.158 0.000 1.072 33 D CA 0.969 55.055 54.000 0.144 0.000 0.850 33 D CB -0.182 40.718 40.800 0.166 0.000 0.922 33 D HN 0.548 nan 8.370 nan 0.000 0.516 34 G N -0.295 108.602 108.800 0.161 0.000 2.131 34 G HA2 -0.192 3.769 3.960 0.000 0.000 0.201 34 G HA3 -0.192 3.769 3.960 0.000 0.000 0.201 34 G C -0.045 174.985 174.900 0.217 0.000 1.000 34 G CA 0.105 45.306 45.100 0.168 0.000 0.680 34 G HN 0.275 nan 8.290 nan 0.000 0.514 35 V N 0.713 120.770 119.914 0.239 0.000 2.513 35 V HA 0.535 4.655 4.120 0.000 0.000 0.299 35 V C -0.118 176.119 176.094 0.239 0.000 1.035 35 V CA -0.614 61.844 62.300 0.262 0.000 0.889 35 V CB 1.915 33.943 31.823 0.341 0.000 0.988 35 V HN 0.307 nan 8.190 nan 0.000 0.440 36 D N 4.183 124.727 120.400 0.241 0.000 2.402 36 D HA 0.447 5.087 4.640 0.000 0.000 0.235 36 D C 0.035 176.545 176.300 0.350 0.000 1.226 36 D CA 0.056 54.229 54.000 0.288 0.000 0.918 36 D CB 0.873 41.885 40.800 0.353 0.000 1.043 36 D HN 0.711 nan 8.370 nan 0.000 0.506 37 A N 4.697 127.684 122.820 0.280 0.000 2.292 37 A HA 0.735 5.055 4.320 0.000 0.000 0.319 37 A C 0.116 177.822 177.584 0.204 0.000 1.206 37 A CA -0.698 51.515 52.037 0.292 0.000 0.835 37 A CB 0.829 20.017 19.000 0.314 0.000 1.164 37 A HN 0.583 nan 8.150 nan 0.000 0.505 38 R N 0.735 121.356 120.500 0.202 0.000 2.892 38 R HA 0.736 5.076 4.340 0.000 0.000 0.265 38 R C -1.411 175.012 176.300 0.205 0.000 1.025 38 R CA -0.841 55.300 56.100 0.069 0.000 0.982 38 R CB 2.304 32.467 30.300 -0.229 0.000 1.185 38 R HN 0.443 nan 8.270 nan 0.000 0.484 39 V N 2.137 122.138 119.914 0.145 0.000 2.540 39 V HA 0.378 4.499 4.120 0.000 0.000 0.302 39 V C -1.077 175.131 176.094 0.191 0.000 1.035 39 V CA -0.870 61.522 62.300 0.154 0.000 0.873 39 V CB 1.813 33.652 31.823 0.027 0.000 0.992 39 V HN 0.445 nan 8.190 nan 0.000 0.428 40 L N 6.360 127.696 121.223 0.189 0.000 2.305 40 L HA 0.735 5.076 4.340 0.000 0.000 0.284 40 L C -0.986 175.916 176.870 0.053 0.000 1.013 40 L CA 0.196 55.127 54.840 0.151 0.000 0.819 40 L CB 1.080 43.214 42.059 0.124 0.000 1.227 40 L HN 0.577 nan 8.230 nan 0.000 0.417 41 L N 6.184 127.390 121.223 -0.029 0.000 2.388 41 L HA 0.659 5.000 4.340 0.000 0.000 0.264 41 L C -2.271 174.391 176.870 -0.345 0.000 0.998 41 L CA -1.968 52.783 54.840 -0.147 0.000 0.817 41 L CB 2.340 44.310 42.059 -0.148 0.000 1.338 41 L HN 0.457 nan 8.230 nan 0.000 0.414 42 P HA 0.024 nan 4.420 nan 0.000 0.269 42 P C -0.595 176.051 177.300 -1.091 0.000 1.209 42 P CA -0.255 62.041 63.100 -1.339 0.000 0.776 42 P CB 0.646 30.840 31.700 -2.510 0.000 0.876 43 A N 4.009 126.377 122.820 -0.754 0.000 3.051 43 A HA 0.191 4.512 4.320 0.000 0.000 0.257 43 A C 0.064 177.445 177.584 -0.339 0.000 1.785 43 A CA -0.354 51.444 52.037 -0.398 0.000 1.420 43 A CB -1.809 17.088 19.000 -0.172 0.000 1.063 43 A HN 0.431 nan 8.150 nan 0.000 0.630 44 F N -0.048 119.765 119.950 -0.227 0.000 2.595 44 F HA 0.101 4.629 4.527 0.000 0.000 0.359 44 F C -0.950 174.771 175.800 -0.131 0.000 1.147 44 F CA -1.438 56.461 58.000 -0.168 0.000 1.341 44 F CB 0.226 39.097 39.000 -0.213 0.000 1.104 44 F HN 0.278 nan 8.300 nan 0.000 0.603 45 P HA -0.187 nan 4.420 nan 0.000 0.216 45 P C 0.961 178.249 177.300 -0.019 0.000 1.153 45 P CA 1.507 64.617 63.100 0.016 0.000 0.858 45 P CB 0.149 31.855 31.700 0.011 0.000 0.789 46 D N -1.120 119.263 120.400 -0.028 0.000 2.178 46 D HA -0.081 4.559 4.640 0.000 0.000 0.202 46 D C 1.962 178.199 176.300 -0.106 0.000 0.974 46 D CA 0.901 54.855 54.000 -0.076 0.000 0.841 46 D CB -0.449 40.289 40.800 -0.103 0.000 0.953 46 D HN 0.225 nan 8.370 nan 0.000 0.478 47 I N 0.285 120.805 120.570 -0.083 0.000 2.277 47 I HA -0.180 3.991 4.170 0.000 0.000 0.243 47 I C 2.473 178.513 176.117 -0.129 0.000 1.094 47 I CA 0.501 61.720 61.300 -0.134 0.000 1.393 47 I CB -0.133 37.800 38.000 -0.111 0.000 1.078 47 I HN -0.105 nan 8.210 nan 0.000 0.417 48 R N 1.658 122.101 120.500 -0.095 0.000 2.091 48 R HA -0.149 4.191 4.340 0.000 0.000 0.238 48 R C 2.309 178.567 176.300 -0.070 0.000 1.136 48 R CA 1.624 57.674 56.100 -0.083 0.000 0.959 48 R CB -0.482 29.780 30.300 -0.063 0.000 0.856 48 R HN 0.171 nan 8.270 nan 0.000 0.437 49 R N -1.066 119.395 120.500 -0.065 0.000 2.127 49 R HA -0.057 4.283 4.340 0.000 0.000 0.238 49 R C 2.051 178.319 176.300 -0.052 0.000 1.134 49 R CA 1.463 57.530 56.100 -0.055 0.000 0.975 49 R CB -0.461 29.806 30.300 -0.055 0.000 0.865 49 R HN 0.498 nan 8.270 nan 0.000 0.447 50 G N -0.434 108.317 108.800 -0.082 0.000 2.551 50 G HA2 -0.022 3.938 3.960 0.000 0.000 0.216 50 G HA3 -0.022 3.938 3.960 0.000 0.000 0.216 50 G C 0.379 175.312 174.900 0.055 0.000 1.137 50 G CA -0.062 45.005 45.100 -0.054 0.000 0.798 50 G HN 0.057 nan 8.290 nan 0.000 0.536 51 V N 2.657 122.562 119.914 -0.015 0.000 2.299 51 V HA 0.178 4.298 4.120 0.000 0.000 0.255 51 V C 1.449 177.525 176.094 -0.030 0.000 1.100 51 V CA 0.530 62.830 62.300 -0.001 0.000 0.938 51 V CB 0.237 32.007 31.823 -0.087 0.000 1.139 51 V HN 0.391 nan 8.190 nan 0.000 0.490 52 T N -1.123 113.423 114.554 -0.014 0.000 3.100 52 T HA -0.039 4.312 4.350 0.000 0.000 0.253 52 T C 0.878 175.552 174.700 -0.043 0.000 1.118 52 T CA 0.612 62.694 62.100 -0.031 0.000 1.058 52 T CB -0.151 68.701 68.868 -0.027 0.000 0.953 52 T HN 0.678 nan 8.240 nan 0.000 0.515 53 D N 1.137 121.504 120.400 -0.054 0.000 2.463 53 D HA 0.344 4.985 4.640 0.000 0.000 0.224 53 D C 0.463 176.721 176.300 -0.071 0.000 1.174 53 D CA -0.584 53.386 54.000 -0.050 0.000 0.829 53 D CB -0.302 40.479 40.800 -0.031 0.000 0.993 53 D HN 0.466 nan 8.370 nan 0.000 0.497 54 A N 0.783 123.550 122.820 -0.088 0.000 2.524 54 A HA 0.215 4.535 4.320 0.000 0.000 0.250 54 A C 0.425 177.985 177.584 -0.039 0.000 1.078 54 A CA 0.080 52.058 52.037 -0.098 0.000 0.761 54 A CB 0.298 19.245 19.000 -0.088 0.000 1.012 54 A HN 0.225 nan 8.150 nan 0.000 0.500 55 Q N 1.394 121.189 119.800 -0.008 0.000 2.297 55 Q HA 0.448 4.788 4.340 0.000 0.000 0.268 55 Q C -0.696 175.343 176.000 0.064 0.000 1.045 55 Q CA -0.958 54.864 55.803 0.033 0.000 0.861 55 Q CB 1.983 30.753 28.738 0.053 0.000 1.344 55 Q HN 0.481 nan 8.270 nan 0.000 0.452 56 V N 1.926 121.874 119.914 0.058 0.000 2.521 56 V HA -0.004 4.116 4.120 0.000 0.000 0.286 56 V C 1.030 177.187 176.094 0.104 0.000 1.034 56 V CA 0.293 62.636 62.300 0.072 0.000 1.045 56 V CB 0.951 32.802 31.823 0.048 0.000 0.974 56 V HN 0.661 nan 8.190 nan 0.000 0.480 57 V N 3.332 123.326 119.914 0.133 0.000 3.085 57 V HA 0.215 4.335 4.120 0.000 0.000 0.245 57 V C 0.696 176.861 176.094 0.119 0.000 1.114 57 V CA 1.263 63.657 62.300 0.158 0.000 1.108 57 V CB 0.871 32.824 31.823 0.217 0.000 0.798 57 V HN 0.897 nan 8.190 nan 0.000 0.471 58 S N -0.326 115.429 115.700 0.092 0.000 2.614 58 S HA 0.448 4.919 4.470 0.000 0.000 0.280 58 S C -1.805 172.827 174.600 0.053 0.000 1.111 58 S CA -0.838 57.402 58.200 0.067 0.000 0.847 58 S CB 1.349 64.588 63.200 0.064 0.000 1.079 58 S HN 0.172 nan 8.310 nan 0.000 0.452 59 R N 2.595 123.115 120.500 0.033 0.000 2.494 59 R HA 0.637 4.977 4.340 0.000 0.000 0.305 59 R C -0.572 175.749 176.300 0.035 0.000 0.959 59 R CA -0.787 55.322 56.100 0.016 0.000 0.864 59 R CB 1.607 31.885 30.300 -0.037 0.000 1.159 59 R HN 0.655 nan 8.270 nan 0.000 0.446 60 R N 0.852 121.391 120.500 0.064 0.000 2.740 60 R HA 0.274 4.614 4.340 0.000 0.000 0.273 60 R C -0.919 175.454 176.300 0.121 0.000 0.998 60 R CA -0.980 55.177 56.100 0.094 0.000 0.900 60 R CB 2.220 32.617 30.300 0.162 0.000 1.223 60 R HN 0.534 nan 8.270 nan 0.000 0.466 61 D N -0.133 120.340 120.400 0.121 0.000 2.294 61 D HA 0.499 5.139 4.640 0.000 0.000 0.250 61 D C -0.811 175.343 176.300 -0.243 0.000 1.058 61 D CA 0.394 54.419 54.000 0.041 0.000 0.950 61 D CB 1.367 42.201 40.800 0.056 0.000 1.158 61 D HN 0.287 nan 8.370 nan 0.000 0.453 62 T N 1.118 115.415 114.554 -0.428 0.000 2.830 62 T HA 0.153 4.503 4.350 0.000 0.000 0.322 62 T C 0.617 174.939 174.700 -0.631 0.000 1.501 62 T CA -0.597 61.029 62.100 -0.789 0.000 1.036 62 T CB 0.356 68.627 68.868 -0.996 0.000 1.379 62 T HN 0.319 nan 8.240 nan 0.000 0.493 63 F N 0.744 120.418 119.950 -0.459 0.000 2.225 63 F HA 0.097 4.624 4.527 0.000 0.000 0.302 63 F C 1.722 177.396 175.800 -0.210 0.000 1.068 63 F CA 1.234 59.069 58.000 -0.275 0.000 1.327 63 F CB -0.483 38.382 39.000 -0.225 0.000 1.043 63 F HN 0.451 nan 8.300 nan 0.000 0.506 64 A N 0.198 122.627 122.820 -0.653 0.000 2.423 64 A HA 0.620 4.940 4.320 0.000 0.000 0.246 64 A C 1.238 178.707 177.584 -0.192 0.000 1.278 64 A CA 0.360 52.204 52.037 -0.321 0.000 0.903 64 A CB -1.060 17.669 19.000 -0.450 0.000 0.997 64 A HN 1.088 nan 8.150 nan 0.000 0.510 65 G N -0.887 107.729 108.800 -0.307 0.000 2.610 65 G HA2 -0.124 3.836 3.960 0.000 0.000 0.304 65 G HA3 -0.124 3.836 3.960 0.000 0.000 0.304 65 G C -0.559 174.160 174.900 -0.301 0.000 1.309 65 G CA -0.393 44.499 45.100 -0.347 0.000 0.906 65 G HN 0.672 nan 8.290 nan 0.000 0.521 66 H N -0.407 118.593 119.070 -0.117 0.000 2.629 66 H HA 0.581 5.137 4.556 0.000 0.000 0.357 66 H C 1.015 176.329 175.328 -0.024 0.000 1.121 66 H CA 0.426 56.424 56.048 -0.083 0.000 1.406 66 H CB 0.959 30.675 29.762 -0.078 0.000 1.456 66 H HN 0.735 nan 8.280 nan 0.000 0.579 67 I N -1.114 119.519 120.570 0.104 0.000 2.689 67 I HA 0.486 4.656 4.170 0.000 0.000 0.299 67 I C -0.884 175.268 176.117 0.060 0.000 1.059 67 I CA -0.855 60.482 61.300 0.062 0.000 1.055 67 I CB 2.564 40.589 38.000 0.041 0.000 1.243 67 I HN 0.356 nan 8.210 nan 0.000 0.425 68 T N 6.226 120.810 114.554 0.049 0.000 2.756 68 T HA 0.404 4.754 4.350 0.000 0.000 0.290 68 T C -0.357 174.378 174.700 0.060 0.000 0.985 68 T CA -0.304 61.822 62.100 0.044 0.000 0.955 68 T CB 1.052 69.937 68.868 0.029 0.000 0.930 68 T HN 0.491 nan 8.240 nan 0.000 0.451 69 L N 5.712 126.982 121.223 0.078 0.000 2.369 69 L HA 0.416 4.756 4.340 0.000 0.000 0.279 69 L C -0.760 176.192 176.870 0.137 0.000 1.108 69 L CA 0.114 55.020 54.840 0.109 0.000 0.852 69 L CB -0.286 41.838 42.059 0.108 0.000 1.169 69 L HN 0.552 nan 8.230 nan 0.000 0.452 70 L N 5.286 126.591 121.223 0.137 0.000 2.334 70 L HA 0.572 4.912 4.340 0.000 0.000 0.270 70 L C -0.830 176.159 176.870 0.200 0.000 1.018 70 L CA -0.699 54.216 54.840 0.125 0.000 0.811 70 L CB 1.593 43.672 42.059 0.033 0.000 1.271 70 L HN 0.560 nan 8.230 nan 0.000 0.443 71 F N 0.124 120.031 119.950 -0.073 0.000 2.574 71 F HA 0.766 5.293 4.527 0.001 0.000 0.313 71 F C -0.168 175.453 175.800 -0.298 0.000 1.130 71 F CA -0.152 57.681 58.000 -0.278 0.000 0.936 71 F CB 1.908 40.673 39.000 -0.391 0.000 1.219 71 F HN 0.468 nan 8.300 nan 0.000 0.445 72 G N 2.957 110.997 108.800 -1.267 0.000 2.846 72 G HA2 0.530 4.490 3.960 0.000 0.000 0.299 72 G HA3 0.530 4.490 3.960 0.000 0.000 0.299 72 G C -2.165 171.896 174.900 -1.399 0.000 1.242 72 G CA -0.740 43.742 45.100 -1.029 0.000 0.800 72 G HN 0.685 nan 8.290 nan 0.000 0.538 73 H N -1.707 117.060 119.070 -0.505 0.000 2.717 73 H HA 0.618 5.174 4.556 0.000 0.000 0.366 73 H C -1.914 173.305 175.328 -0.180 0.000 1.132 73 H CA -0.357 55.471 56.048 -0.366 0.000 1.180 73 H CB 2.469 32.053 29.762 -0.298 0.000 1.678 73 H HN 0.504 nan 8.280 nan 0.000 0.537 74 Y N 1.999 122.218 120.300 -0.134 0.000 2.346 74 Y HA 0.222 4.772 4.550 0.000 0.000 0.332 74 Y C -0.328 175.524 175.900 -0.080 0.000 0.985 74 Y CA -0.947 57.085 58.100 -0.114 0.000 1.112 74 Y CB 0.913 39.287 38.460 -0.144 0.000 1.170 74 Y HN 0.773 nan 8.280 nan 0.000 0.447 75 N N 4.012 122.365 118.700 -0.578 0.000 2.740 75 N HA -0.208 4.532 4.740 0.000 0.000 0.248 75 N C 0.905 176.341 175.510 -0.124 0.000 1.062 75 N CA 1.769 54.640 53.050 -0.298 0.000 0.704 75 N CB -1.125 37.301 38.487 -0.102 0.000 0.968 75 N HN 1.340 nan 8.380 nan 0.000 0.547 76 G N -2.499 106.229 108.800 -0.121 0.000 2.284 76 G HA2 -0.305 3.656 3.960 0.000 0.000 0.247 76 G HA3 -0.305 3.656 3.960 0.000 0.000 0.247 76 G C 0.173 175.085 174.900 0.020 0.000 1.012 76 G CA 0.829 45.893 45.100 -0.060 0.000 0.618 76 G HN 1.285 nan 8.290 nan 0.000 0.521 77 V N 1.252 121.179 119.914 0.021 0.000 2.539 77 V HA 0.822 4.942 4.120 0.000 0.000 0.292 77 V C 0.871 176.935 176.094 -0.051 0.000 1.045 77 V CA 0.326 62.640 62.300 0.024 0.000 0.945 77 V CB 1.438 33.266 31.823 0.007 0.000 0.993 77 V HN 1.371 nan 8.190 nan 0.000 0.464 78 G N 6.663 115.407 108.800 -0.094 0.000 2.354 78 G HA2 0.490 4.450 3.960 0.000 0.000 0.266 78 G HA3 0.490 4.450 3.960 0.000 0.000 0.266 78 G C -0.452 174.199 174.900 -0.415 0.000 1.242 78 G CA -0.422 44.431 45.100 -0.412 0.000 0.923 78 G HN 0.669 nan 8.290 nan 0.000 0.476 79 I N 2.893 123.019 120.570 -0.741 0.000 2.389 79 I HA 0.251 4.421 4.170 0.000 0.000 0.288 79 I C -0.779 175.078 176.117 -0.432 0.000 0.999 79 I CA -1.390 59.657 61.300 -0.423 0.000 1.129 79 I CB 1.133 38.947 38.000 -0.310 0.000 1.288 79 I HN 0.361 nan 8.210 nan 0.000 0.444 80 Y N 5.899 126.189 120.300 -0.017 0.000 2.308 80 Y HA 0.504 5.055 4.550 0.001 0.000 0.329 80 Y C 0.257 176.125 175.900 -0.053 0.000 1.111 80 Y CA -0.333 57.795 58.100 0.046 0.000 1.179 80 Y CB 1.312 39.823 38.460 0.085 0.000 1.201 80 Y HN 0.334 nan 8.280 nan 0.000 0.483 81 L N 4.921 126.206 121.223 0.103 0.000 2.362 81 L HA 0.494 4.834 4.340 0.000 0.000 0.275 81 L C -0.718 176.147 176.870 -0.010 0.000 0.998 81 L CA -0.762 54.063 54.840 -0.026 0.000 0.820 81 L CB 1.783 43.793 42.059 -0.081 0.000 1.270 81 L HN 0.543 nan 8.230 nan 0.000 0.415 82 I N 2.148 122.666 120.570 -0.088 0.000 2.278 82 I HA 0.082 4.252 4.170 0.000 0.000 0.296 82 I C -0.194 175.921 176.117 -0.003 0.000 1.121 82 I CA -0.133 61.152 61.300 -0.026 0.000 1.267 82 I CB 0.428 38.425 38.000 -0.005 0.000 1.447 82 I HN 0.502 nan 8.210 nan 0.000 0.509 83 D N 6.626 127.038 120.400 0.020 0.000 2.365 83 D HA 0.479 5.119 4.640 0.000 0.000 0.237 83 D C -0.241 176.082 176.300 0.038 0.000 1.190 83 D CA -0.067 53.949 54.000 0.025 0.000 0.867 83 D CB 1.016 41.820 40.800 0.007 0.000 1.050 83 D HN 0.625 nan 8.370 nan 0.000 0.491 84 A N 5.114 127.946 122.820 0.020 0.000 3.156 84 A HA 0.403 4.723 4.320 0.000 0.000 0.311 84 A C -1.972 175.462 177.584 -0.251 0.000 1.129 84 A CA -0.954 50.997 52.037 -0.143 0.000 0.809 84 A CB 1.046 19.807 19.000 -0.397 0.000 1.257 84 A HN 0.360 nan 8.150 nan 0.000 0.491 85 P HA -0.254 nan 4.420 nan 0.000 0.216 85 P C 1.400 178.639 177.300 -0.103 0.000 1.150 85 P CA 1.886 64.957 63.100 -0.048 0.000 0.843 85 P CB -0.162 31.548 31.700 0.015 0.000 0.787 86 H N -1.139 117.842 119.070 -0.148 0.000 2.518 86 H HA 0.015 4.571 4.556 0.000 0.000 0.289 86 H C 1.475 176.659 175.328 -0.239 0.000 1.051 86 H CA 0.978 56.930 56.048 -0.159 0.000 1.280 86 H CB -0.956 28.723 29.762 -0.138 0.000 1.380 86 H HN 0.208 nan 8.280 nan 0.000 0.566 87 L N -1.149 119.584 121.223 -0.818 0.000 2.467 87 L HA 0.069 4.409 4.340 0.000 0.000 0.213 87 L C 1.390 177.900 176.870 -0.600 0.000 1.053 87 L CA 0.160 54.490 54.840 -0.850 0.000 0.847 87 L CB 0.055 41.279 42.059 -1.391 0.000 1.075 87 L HN 0.043 nan 8.230 nan 0.000 0.479 88 Y N -1.747 118.379 120.300 -0.290 0.000 2.444 88 Y HA 0.170 4.721 4.550 0.000 0.000 0.252 88 Y C 0.756 176.615 175.900 -0.069 0.000 1.091 88 Y CA -1.103 56.878 58.100 -0.198 0.000 1.276 88 Y CB 0.081 38.298 38.460 -0.405 0.000 1.170 88 Y HN -0.049 nan 8.280 nan 0.000 0.517 89 D N 2.626 123.041 120.400 0.025 0.000 2.608 89 D HA 0.101 4.741 4.640 0.000 0.000 0.224 89 D C -0.161 176.147 176.300 0.013 0.000 1.123 89 D CA 0.027 54.045 54.000 0.030 0.000 1.030 89 D CB -0.217 40.586 40.800 0.004 0.000 1.093 89 D HN 0.272 nan 8.370 nan 0.000 0.497 90 R N 1.467 121.987 120.500 0.034 0.000 2.725 90 R HA 0.589 4.929 4.340 0.000 0.000 0.277 90 R C -2.917 173.397 176.300 0.024 0.000 0.987 90 R CA -1.714 54.395 56.100 0.016 0.000 0.901 90 R CB 1.010 31.293 30.300 -0.028 0.000 1.207 90 R HN 0.004 nan 8.270 nan 0.000 0.463 91 P HA 0.306 nan 4.420 nan 0.000 0.276 91 P C 0.405 177.694 177.300 -0.018 0.000 1.244 91 P CA 0.539 63.638 63.100 -0.002 0.000 0.801 91 P CB 1.068 32.775 31.700 0.011 0.000 1.006 92 G N 0.505 109.260 108.800 -0.075 0.000 2.466 92 G HA2 -0.182 3.779 3.960 0.000 0.000 0.218 92 G HA3 -0.182 3.779 3.960 0.000 0.000 0.218 92 G C -0.220 174.544 174.900 -0.227 0.000 1.237 92 G CA -0.035 45.002 45.100 -0.104 0.000 0.954 92 G HN 0.753 nan 8.290 nan 0.000 0.580 93 S N 1.419 116.961 115.700 -0.263 0.000 2.564 93 S HA 0.504 4.974 4.470 0.000 0.000 0.278 93 S C -0.486 173.771 174.600 -0.571 0.000 1.333 93 S CA -0.054 57.864 58.200 -0.470 0.000 1.048 93 S CB 1.112 63.897 63.200 -0.692 0.000 0.900 93 S HN 0.440 nan 8.310 nan 0.000 0.505 94 P HA -0.001 nan 4.420 nan 0.000 0.225 94 P C -0.075 176.933 177.300 -0.486 0.000 1.148 94 P CA 1.158 63.519 63.100 -1.232 0.000 0.779 94 P CB -0.031 30.614 31.700 -1.759 0.000 0.780 95 Y N -1.647 118.636 120.300 -0.028 0.000 2.558 95 Y HA 0.178 4.728 4.550 0.000 0.000 0.273 95 Y C 1.620 177.623 175.900 0.172 0.000 1.100 95 Y CA -0.147 58.080 58.100 0.211 0.000 1.276 95 Y CB -0.255 38.278 38.460 0.123 0.000 1.196 95 Y HN 0.113 nan 8.280 nan 0.000 0.527 96 H N -1.449 117.676 119.070 0.092 0.000 3.017 96 H HA 0.369 4.925 4.556 0.000 0.000 0.346 96 H C -1.375 173.633 175.328 -0.534 0.000 1.286 96 H CA -0.946 54.913 56.048 -0.315 0.000 1.120 96 H CB 1.492 31.208 29.762 -0.077 0.000 1.860 96 H HN 0.073 nan 8.280 nan 0.000 0.542 97 D N -0.081 120.051 120.400 -0.446 0.000 2.414 97 D HA -0.007 4.633 4.640 0.000 0.000 0.259 97 D C 1.524 177.843 176.300 0.031 0.000 1.269 97 D CA 0.433 54.321 54.000 -0.187 0.000 1.028 97 D CB 0.114 40.869 40.800 -0.076 0.000 1.093 97 D HN 0.670 nan 8.370 nan 0.000 0.545 98 T N -2.086 112.494 114.554 0.044 0.000 2.674 98 T HA -0.207 4.143 4.350 0.000 0.000 0.265 98 T C 1.260 175.940 174.700 -0.033 0.000 1.039 98 T CA 1.082 63.202 62.100 0.034 0.000 1.150 98 T CB -0.776 68.117 68.868 0.041 0.000 0.864 98 T HN 0.371 nan 8.240 nan 0.000 0.427 99 N N 2.000 120.666 118.700 -0.058 0.000 2.651 99 N HA 0.048 4.788 4.740 0.000 0.000 0.193 99 N C 0.917 176.087 175.510 -0.567 0.000 1.149 99 N CA 0.547 53.468 53.050 -0.215 0.000 0.933 99 N CB -0.582 37.878 38.487 -0.045 0.000 0.974 99 N HN 0.565 nan 8.380 nan 0.000 0.448 100 L N -2.444 118.553 121.223 -0.378 0.000 4.800 100 L HA -0.235 4.105 4.340 0.000 0.000 0.412 100 L C -0.831 175.740 176.870 -0.498 0.000 1.063 100 L CA 0.316 54.845 54.840 -0.519 0.000 1.114 100 L CB -1.746 39.994 42.059 -0.532 0.000 2.089 100 L HN -0.027 nan 8.230 nan 0.000 0.686 101 F N 1.139 121.047 119.950 -0.070 0.000 2.420 101 F HA 0.586 5.114 4.527 0.001 0.000 0.352 101 F C 1.254 177.035 175.800 -0.032 0.000 1.108 101 F CA -0.449 57.527 58.000 -0.039 0.000 1.162 101 F CB 0.666 39.658 39.000 -0.014 0.000 1.118 101 F HN 0.054 nan 8.300 nan 0.000 0.510 102 A N 4.138 127.100 122.820 0.238 0.000 2.565 102 A HA 0.036 4.356 4.320 0.000 0.000 0.237 102 A C -0.583 177.126 177.584 0.209 0.000 1.053 102 A CA -0.119 52.058 52.037 0.233 0.000 0.755 102 A CB -0.642 18.503 19.000 0.242 0.000 0.980 102 A HN 0.663 nan 8.150 nan 0.000 0.506 103 Y N 1.294 121.795 120.300 0.335 0.000 2.610 103 Y HA 0.052 4.602 4.550 0.000 0.000 0.332 103 Y C 2.224 178.276 175.900 0.253 0.000 1.201 103 Y CA 0.947 59.207 58.100 0.266 0.000 1.465 103 Y CB 0.641 39.246 38.460 0.243 0.000 1.283 103 Y HN 0.888 nan 8.280 nan 0.000 0.563 104 T N -2.978 111.796 114.554 0.367 0.000 2.995 104 T HA -0.154 4.196 4.350 0.000 0.000 0.269 104 T C 0.778 175.625 174.700 0.244 0.000 1.091 104 T CA 1.101 63.366 62.100 0.276 0.000 1.128 104 T CB -0.169 68.832 68.868 0.220 0.000 0.891 104 T HN 0.723 nan 8.240 nan 0.000 0.492 105 D N 0.356 120.893 120.400 0.229 0.000 2.342 105 D HA 0.104 4.744 4.640 0.000 0.000 0.221 105 D C 1.259 177.639 176.300 0.134 0.000 1.101 105 D CA -0.288 53.788 54.000 0.127 0.000 0.837 105 D CB -0.669 40.168 40.800 0.061 0.000 0.938 105 D HN 0.118 nan 8.370 nan 0.000 0.508 106 N N 0.721 119.604 118.700 0.306 0.000 2.132 106 N HA -0.171 4.569 4.740 0.000 0.000 0.191 106 N C 1.818 177.471 175.510 0.238 0.000 1.015 106 N CA 0.776 54.123 53.050 0.496 0.000 0.864 106 N CB -0.379 38.615 38.487 0.846 0.000 1.006 106 N HN 0.207 nan 8.380 nan 0.000 0.430 107 V N 0.118 119.829 119.914 -0.338 0.000 2.407 107 V HA -0.169 3.951 4.120 0.000 0.000 0.248 107 V C 1.896 177.941 176.094 -0.082 0.000 1.055 107 V CA 1.341 63.129 62.300 -0.854 0.000 1.049 107 V CB -0.209 30.902 31.823 -1.187 0.000 0.662 107 V HN 0.136 nan 8.190 nan 0.000 0.455 108 L N -0.190 121.025 121.223 -0.012 0.000 2.095 108 L HA 0.040 4.380 4.340 0.000 0.000 0.204 108 L C 2.597 179.541 176.870 0.123 0.000 1.080 108 L CA 1.746 56.669 54.840 0.137 0.000 0.759 108 L CB -1.136 40.964 42.059 0.067 0.000 0.914 108 L HN 0.263 nan 8.230 nan 0.000 0.439 109 R N -1.408 119.092 120.500 -0.001 0.000 2.091 109 R HA -0.173 4.167 4.340 0.000 0.000 0.238 109 R C 2.146 178.409 176.300 -0.060 0.000 1.136 109 R CA 1.803 57.799 56.100 -0.173 0.000 0.959 109 R CB -0.397 29.716 30.300 -0.311 0.000 0.856 109 R HN 0.245 nan 8.270 nan 0.000 0.437 110 F N -0.559 119.647 119.950 0.428 0.000 2.530 110 F HA 0.193 4.720 4.527 0.000 0.000 0.292 110 F C 2.392 178.569 175.800 0.628 0.000 1.109 110 F CA 0.296 58.622 58.000 0.544 0.000 1.450 110 F CB -0.126 39.244 39.000 0.617 0.000 1.114 110 F HN 0.018 nan 8.300 nan 0.000 0.560 111 A N 0.402 123.688 122.820 0.777 0.000 1.908 111 A HA -0.199 4.121 4.320 0.000 0.000 0.218 111 A C 2.087 180.076 177.584 0.675 0.000 1.181 111 A CA 1.587 53.982 52.037 0.596 0.000 0.627 111 A CB -0.967 18.303 19.000 0.451 0.000 0.818 111 A HN 0.349 nan 8.150 nan 0.000 0.445 112 L N -0.369 121.166 121.223 0.521 0.000 2.046 112 L HA -0.126 4.214 4.340 0.000 0.000 0.208 112 L C 2.250 179.301 176.870 0.302 0.000 1.077 112 L CA 1.751 56.738 54.840 0.245 0.000 0.747 112 L CB -0.491 41.540 42.059 -0.046 0.000 0.896 112 L HN 0.460 nan 8.230 nan 0.000 0.432 113 L N -0.800 120.616 121.223 0.321 0.000 1.989 113 L HA -0.190 4.150 4.340 0.000 0.000 0.211 113 L C 2.337 179.381 176.870 0.290 0.000 1.071 113 L CA 1.996 56.998 54.840 0.270 0.000 0.749 113 L CB -1.170 41.084 42.059 0.324 0.000 0.890 113 L HN 0.495 nan 8.230 nan 0.000 0.431 114 G N -1.126 107.903 108.800 0.383 0.000 2.442 114 G HA2 -0.360 3.601 3.960 0.000 0.000 0.219 114 G HA3 -0.360 3.601 3.960 0.000 0.000 0.219 114 G C 1.242 176.319 174.900 0.296 0.000 1.141 114 G CA 0.748 46.077 45.100 0.381 0.000 0.763 114 G HN 0.654 nan 8.290 nan 0.000 0.554 115 W N 0.809 122.080 121.300 -0.049 0.000 2.407 115 W HA -0.035 4.626 4.660 0.000 0.000 0.305 115 W C 2.416 178.808 176.519 -0.212 0.000 1.196 115 W CA 1.540 58.588 57.345 -0.495 0.000 1.311 115 W CB -0.199 28.953 29.460 -0.513 0.000 1.135 115 W HN 0.018 nan 8.180 nan 0.000 0.514 116 V N 1.302 121.278 119.914 0.104 0.000 2.407 116 V HA -0.216 3.904 4.120 0.000 0.000 0.248 116 V C 2.469 178.455 176.094 -0.179 0.000 1.055 116 V CA 2.009 64.265 62.300 -0.073 0.000 1.049 116 V CB -1.718 30.164 31.823 0.099 0.000 0.662 116 V HN 0.426 nan 8.190 nan 0.000 0.455 117 G N -0.128 108.641 108.800 -0.051 0.000 2.446 117 G HA2 -0.256 3.704 3.960 0.000 0.000 0.217 117 G HA3 -0.256 3.704 3.960 0.000 0.000 0.217 117 G C 1.780 176.622 174.900 -0.097 0.000 1.168 117 G CA 1.186 46.271 45.100 -0.024 0.000 0.771 117 G HN 0.613 nan 8.290 nan 0.000 0.551 118 A N 0.601 123.343 122.820 -0.130 0.000 1.902 118 A HA -0.013 4.307 4.320 0.000 0.000 0.217 118 A C 2.194 179.585 177.584 -0.322 0.000 1.181 118 A CA 2.209 54.144 52.037 -0.170 0.000 0.623 118 A CB -0.436 18.507 19.000 -0.094 0.000 0.818 118 A HN 0.386 nan 8.150 nan 0.000 0.443 119 E N -0.605 119.250 120.200 -0.576 0.000 2.153 119 E HA -0.148 4.202 4.350 0.000 0.000 0.194 119 E C 1.923 178.300 176.600 -0.371 0.000 0.988 119 E CA 1.125 57.141 56.400 -0.641 0.000 0.811 119 E CB -0.263 28.771 29.700 -1.111 0.000 0.746 119 E HN 0.446 nan 8.360 nan 0.000 0.466 120 M N -0.227 119.193 119.600 -0.300 0.000 2.202 120 M HA -0.095 4.385 4.480 0.000 0.000 0.262 120 M C 2.125 178.319 176.300 -0.177 0.000 1.063 120 M CA 1.506 56.674 55.300 -0.220 0.000 1.097 120 M CB -1.061 31.420 32.600 -0.198 0.000 1.382 120 M HN 0.253 nan 8.290 nan 0.000 0.413 121 A N -1.178 121.536 122.820 -0.176 0.000 2.121 121 A HA -0.014 4.307 4.320 0.000 0.000 0.218 121 A C 2.063 179.553 177.584 -0.157 0.000 1.154 121 A CA 1.304 53.243 52.037 -0.163 0.000 0.679 121 A CB -0.375 18.545 19.000 -0.134 0.000 0.795 121 A HN 0.447 nan 8.150 nan 0.000 0.458 122 S N -1.506 114.094 115.700 -0.166 0.000 2.575 122 S HA 0.424 4.894 4.470 0.000 0.000 0.237 122 S C 1.048 175.568 174.600 -0.133 0.000 0.975 122 S CA 0.484 58.599 58.200 -0.141 0.000 0.960 122 S CB 0.302 63.417 63.200 -0.143 0.000 0.822 122 S HN 1.508 nan 8.310 nan 0.000 0.472 123 G N 1.390 110.107 108.800 -0.138 0.000 2.131 123 G HA2 -0.204 3.756 3.960 0.000 0.000 0.223 123 G HA3 -0.204 3.756 3.960 0.000 0.000 0.223 123 G C 0.629 175.464 174.900 -0.108 0.000 0.990 123 G CA 0.192 45.221 45.100 -0.119 0.000 0.671 123 G HN 0.461 nan 8.290 nan 0.000 0.521 124 L N -0.065 121.082 121.223 -0.127 0.000 2.089 124 L HA -0.039 4.301 4.340 0.000 0.000 0.213 124 L C 1.043 177.878 176.870 -0.059 0.000 1.079 124 L CA 2.245 57.022 54.840 -0.106 0.000 0.758 124 L CB -0.040 41.923 42.059 -0.161 0.000 0.891 124 L HN 0.393 nan 8.230 nan 0.000 0.433 125 D N -0.983 119.389 120.400 -0.047 0.000 2.359 125 D HA 0.157 4.798 4.640 0.000 0.000 0.230 125 D C -1.788 174.508 176.300 -0.006 0.000 1.118 125 D CA -2.380 51.649 54.000 0.048 0.000 0.844 125 D CB 1.630 42.522 40.800 0.154 0.000 1.059 125 D HN -0.051 nan 8.370 nan 0.000 0.493 126 P HA -0.039 nan 4.420 nan 0.000 0.223 126 P C 0.455 177.441 177.300 -0.524 0.000 1.144 126 P CA 0.877 63.742 63.100 -0.392 0.000 0.783 126 P CB 0.050 31.368 31.700 -0.636 0.000 0.771 127 F N -4.395 115.587 119.950 0.053 0.000 2.704 127 F HA 0.329 4.856 4.527 0.001 0.000 0.304 127 F C 0.479 176.382 175.800 0.171 0.000 1.094 127 F CA -0.261 57.783 58.000 0.074 0.000 1.275 127 F CB 0.093 39.119 39.000 0.044 0.000 1.073 127 F HN -0.126 nan 8.300 nan 0.000 0.586 128 W N 1.006 122.334 121.300 0.046 0.000 4.020 128 W HA 0.445 5.106 4.660 0.001 0.000 0.293 128 W C -1.379 175.123 176.519 -0.028 0.000 1.236 128 W CA -1.234 56.122 57.345 0.018 0.000 1.265 128 W CB 0.837 30.311 29.460 0.025 0.000 1.248 128 W HN -0.325 nan 8.180 nan 0.000 0.501 129 R N 7.101 127.321 120.500 -0.468 0.000 2.561 129 R HA 0.605 4.945 4.340 0.000 0.000 0.297 129 R C -2.640 173.083 176.300 -0.962 0.000 0.969 129 R CA -1.780 54.026 56.100 -0.490 0.000 0.879 129 R CB 2.587 32.704 30.300 -0.305 0.000 1.178 129 R HN 0.169 nan 8.270 nan 0.000 0.445 130 P HA 0.145 nan 4.420 nan 0.000 0.282 130 P C -0.787 176.263 177.300 -0.418 0.000 1.249 130 P CA -0.246 62.440 63.100 -0.690 0.000 0.806 130 P CB 1.305 32.833 31.700 -0.287 0.000 0.984 131 D N 0.326 120.503 120.400 -0.371 0.000 2.240 131 D HA 0.047 4.687 4.640 0.000 0.000 0.206 131 D C 0.316 176.470 176.300 -0.244 0.000 0.963 131 D CA 1.059 54.894 54.000 -0.275 0.000 0.863 131 D CB 0.435 41.076 40.800 -0.265 0.000 0.973 131 D HN 0.119 nan 8.370 nan 0.000 0.501 132 V N 1.647 121.388 119.914 -0.287 0.000 2.588 132 V HA 0.234 4.354 4.120 0.000 0.000 0.304 132 V C -0.109 175.859 176.094 -0.210 0.000 1.042 132 V CA -0.830 61.303 62.300 -0.279 0.000 0.877 132 V CB 2.779 34.303 31.823 -0.497 0.000 0.996 132 V HN -0.251 nan 8.190 nan 0.000 0.425 133 V N 4.117 123.965 119.914 -0.110 0.000 2.383 133 V HA 0.341 4.461 4.120 0.000 0.000 0.275 133 V C -0.167 175.947 176.094 0.033 0.000 1.036 133 V CA -0.416 61.870 62.300 -0.024 0.000 0.889 133 V CB 0.964 32.798 31.823 0.018 0.000 0.985 133 V HN 0.929 nan 8.190 nan 0.000 0.459 134 H N 4.078 123.095 119.070 -0.089 0.000 2.673 134 H HA 0.693 5.249 4.556 0.001 0.000 0.293 134 H C 0.030 175.357 175.328 -0.002 0.000 1.065 134 H CA -0.496 55.506 56.048 -0.076 0.000 1.236 134 H CB 0.893 30.519 29.762 -0.228 0.000 1.389 134 H HN 0.824 nan 8.280 nan 0.000 0.481 135 A N 5.235 128.224 122.820 0.282 0.000 2.306 135 A HA 0.331 4.651 4.320 0.000 0.000 0.314 135 A C -0.855 176.718 177.584 -0.019 0.000 1.164 135 A CA -0.606 51.600 52.037 0.282 0.000 0.822 135 A CB 0.601 19.883 19.000 0.469 0.000 1.130 135 A HN 0.859 nan 8.150 nan 0.000 0.496 136 H N 1.637 120.825 119.070 0.196 0.000 2.589 136 H HA 0.339 4.895 4.556 0.001 0.000 0.335 136 H C -0.807 174.563 175.328 0.069 0.000 1.019 136 H CA -0.101 55.999 56.048 0.086 0.000 1.213 136 H CB 1.248 31.071 29.762 0.101 0.000 1.472 136 H HN 0.939 nan 8.280 nan 0.000 0.508 137 D N 0.867 121.279 120.400 0.019 0.000 5.377 137 D HA -0.247 4.393 4.640 0.000 0.000 0.315 137 D C 1.361 177.862 176.300 0.335 0.000 2.498 137 D CA 1.174 55.262 54.000 0.146 0.000 1.245 137 D CB -0.228 40.575 40.800 0.005 0.000 1.150 137 D HN 0.801 nan 8.370 nan 0.000 1.307 138 W N 0.705 122.075 121.300 0.117 0.000 2.364 138 W HA -0.180 4.480 4.660 0.000 0.000 0.281 138 W C 1.691 178.383 176.519 0.288 0.000 1.219 138 W CA 1.501 58.981 57.345 0.225 0.000 1.220 138 W CB -1.240 28.281 29.460 0.101 0.000 1.127 138 W HN 0.550 nan 8.180 nan 0.000 0.556 139 H N 1.832 120.655 119.070 -0.412 0.000 2.422 139 H HA -0.000 4.556 4.556 0.001 0.000 0.298 139 H C 2.324 177.825 175.328 0.290 0.000 1.098 139 H CA 2.236 57.982 56.048 -0.504 0.000 1.315 139 H CB -0.522 28.893 29.762 -0.580 0.000 1.382 139 H HN 0.238 nan 8.280 nan 0.000 0.523 140 A N 0.599 123.688 122.820 0.447 0.000 2.470 140 A HA 0.333 4.653 4.320 0.000 0.000 0.251 140 A C 2.321 180.199 177.584 0.490 0.000 1.245 140 A CA 0.370 52.690 52.037 0.472 0.000 0.932 140 A CB -0.294 18.966 19.000 0.434 0.000 1.037 140 A HN 0.450 nan 8.150 nan 0.000 0.522 141 G N 0.309 109.425 108.800 0.527 0.000 2.462 141 G HA2 -0.186 3.775 3.960 0.000 0.000 0.220 141 G HA3 -0.186 3.775 3.960 0.000 0.000 0.220 141 G C 1.274 176.223 174.900 0.083 0.000 1.121 141 G CA 1.026 46.306 45.100 0.299 0.000 0.758 141 G HN 0.462 nan 8.290 nan 0.000 0.559 142 L N 0.313 121.547 121.223 0.018 0.000 2.492 142 L HA 0.116 4.457 4.340 0.000 0.000 0.223 142 L C 3.236 180.175 176.870 0.115 0.000 1.132 142 L CA 0.435 55.210 54.840 -0.108 0.000 0.850 142 L CB -0.308 41.604 42.059 -0.245 0.000 0.966 142 L HN 0.309 nan 8.230 nan 0.000 0.454 143 A N 1.501 124.473 122.820 0.252 0.000 1.892 143 A HA -0.148 4.172 4.320 0.000 0.000 0.218 143 A C -0.165 177.528 177.584 0.180 0.000 1.188 143 A CA 1.733 53.933 52.037 0.272 0.000 0.631 143 A CB -1.702 17.446 19.000 0.247 0.000 0.822 143 A HN 0.287 nan 8.150 nan 0.000 0.447 144 P HA 0.004 nan 4.420 nan 0.000 0.221 144 P C 1.542 178.857 177.300 0.024 0.000 1.150 144 P CA 1.540 64.711 63.100 0.118 0.000 0.800 144 P CB -0.069 31.726 31.700 0.158 0.000 0.787 145 A N -1.208 121.544 122.820 -0.114 0.000 1.898 145 A HA -0.184 4.136 4.320 0.000 0.000 0.216 145 A C 2.028 179.446 177.584 -0.276 0.000 1.181 145 A CA 1.253 53.000 52.037 -0.483 0.000 0.620 145 A CB -1.844 16.835 19.000 -0.535 0.000 0.819 145 A HN 0.126 nan 8.150 nan 0.000 0.442 146 Y N -0.745 119.526 120.300 -0.049 0.000 2.224 146 Y HA -0.182 4.368 4.550 0.000 0.000 0.289 146 Y C 2.272 178.149 175.900 -0.038 0.000 1.146 146 Y CA 0.866 58.947 58.100 -0.031 0.000 1.182 146 Y CB -0.241 38.212 38.460 -0.013 0.000 0.983 146 Y HN 0.200 nan 8.280 nan 0.000 0.524 147 L N -0.177 121.109 121.223 0.106 0.000 2.017 147 L HA -0.223 4.117 4.340 0.000 0.000 0.208 147 L C 2.551 179.457 176.870 0.061 0.000 1.073 147 L CA 1.930 56.804 54.840 0.057 0.000 0.745 147 L CB -1.634 40.455 42.059 0.050 0.000 0.894 147 L HN 0.226 nan 8.230 nan 0.000 0.432 148 A N -0.735 122.123 122.820 0.064 0.000 1.883 148 A HA -0.173 4.147 4.320 0.000 0.000 0.217 148 A C 2.380 180.078 177.584 0.189 0.000 1.186 148 A CA 1.887 53.994 52.037 0.116 0.000 0.624 148 A CB -0.927 18.121 19.000 0.080 0.000 0.822 148 A HN 0.417 nan 8.150 nan 0.000 0.444 149 A N -1.173 121.762 122.820 0.192 0.000 2.178 149 A HA -0.063 4.257 4.320 0.000 0.000 0.218 149 A C 2.025 179.648 177.584 0.065 0.000 1.157 149 A CA 1.228 53.325 52.037 0.100 0.000 0.689 149 A CB -0.302 18.598 19.000 -0.168 0.000 0.787 149 A HN 0.499 nan 8.150 nan 0.000 0.465 150 R N -1.752 118.789 120.500 0.068 0.000 2.509 150 R HA 0.260 4.600 4.340 0.000 0.000 0.300 150 R C 0.834 177.156 176.300 0.036 0.000 0.985 150 R CA 0.470 56.595 56.100 0.042 0.000 1.092 150 R CB 0.285 30.597 30.300 0.020 0.000 1.237 150 R HN 0.612 nan 8.270 nan 0.000 0.546 151 G N 2.334 111.168 108.800 0.056 0.000 2.149 151 G HA2 -0.322 3.638 3.960 0.000 0.000 0.235 151 G HA3 -0.322 3.638 3.960 0.000 0.000 0.235 151 G C -0.104 174.813 174.900 0.029 0.000 1.018 151 G CA 0.019 45.146 45.100 0.046 0.000 0.728 151 G HN 0.405 nan 8.290 nan 0.000 0.508 152 R N -2.312 118.206 120.500 0.031 0.000 3.127 152 R HA -0.192 4.149 4.340 0.000 0.000 0.247 152 R C -0.955 175.339 176.300 -0.011 0.000 0.896 152 R CA 0.708 56.818 56.100 0.016 0.000 0.624 152 R CB -1.296 29.020 30.300 0.027 0.000 1.154 152 R HN 0.500 nan 8.270 nan 0.000 0.474 153 P HA -0.018 nan 4.420 nan 0.000 0.234 153 P C -0.018 177.239 177.300 -0.071 0.000 1.167 153 P CA 1.308 64.377 63.100 -0.051 0.000 0.763 153 P CB 0.529 32.189 31.700 -0.066 0.000 0.835 154 A N -0.828 121.955 122.820 -0.062 0.000 2.587 154 A HA 0.589 4.910 4.320 0.000 0.000 0.293 154 A C -0.533 177.020 177.584 -0.051 0.000 1.087 154 A CA -0.760 51.229 52.037 -0.080 0.000 0.692 154 A CB 1.539 20.474 19.000 -0.108 0.000 1.291 154 A HN -0.258 nan 8.150 nan 0.000 0.407 155 K N 0.814 121.177 120.400 -0.063 0.000 2.126 155 K HA 0.625 4.945 4.320 0.000 0.000 0.257 155 K C 0.040 176.625 176.600 -0.026 0.000 1.007 155 K CA -0.003 56.265 56.287 -0.033 0.000 0.928 155 K CB 1.284 33.762 32.500 -0.037 0.000 1.013 155 K HN 0.956 nan 8.250 nan 0.000 0.473 156 S N -1.011 114.700 115.700 0.018 0.000 2.541 156 S HA 0.582 5.052 4.470 0.000 0.000 0.280 156 S C -0.725 173.917 174.600 0.070 0.000 1.112 156 S CA -0.889 57.337 58.200 0.043 0.000 0.925 156 S CB 1.521 64.771 63.200 0.083 0.000 1.067 156 S HN 0.162 nan 8.310 nan 0.000 0.479 157 V N 2.995 122.930 119.914 0.035 0.000 2.604 157 V HA 0.615 4.735 4.120 0.000 0.000 0.305 157 V C -1.200 174.946 176.094 0.087 0.000 1.043 157 V CA -0.697 61.608 62.300 0.008 0.000 0.888 157 V CB 1.563 33.232 31.823 -0.257 0.000 0.995 157 V HN 0.930 nan 8.190 nan 0.000 0.429 158 F N 3.875 123.846 119.950 0.034 0.000 2.449 158 F HA 0.651 5.179 4.527 0.001 0.000 0.342 158 F C 0.232 176.109 175.800 0.129 0.000 1.127 158 F CA -0.180 57.877 58.000 0.095 0.000 0.975 158 F CB 1.744 40.813 39.000 0.114 0.000 1.146 158 F HN 0.545 nan 8.300 nan 0.000 0.444 159 T N 5.626 119.895 114.554 -0.475 0.000 2.797 159 T HA 0.497 4.847 4.350 0.000 0.000 0.279 159 T C -1.081 173.356 174.700 -0.438 0.000 0.991 159 T CA -0.702 61.239 62.100 -0.266 0.000 0.979 159 T CB 1.188 70.100 68.868 0.074 0.000 0.943 159 T HN 0.683 nan 8.240 nan 0.000 0.444 160 V N 6.124 125.950 119.914 -0.148 0.000 2.432 160 V HA 0.389 4.510 4.120 0.000 0.000 0.271 160 V C 0.610 176.752 176.094 0.080 0.000 1.046 160 V CA -0.018 62.320 62.300 0.063 0.000 0.945 160 V CB 0.180 32.163 31.823 0.267 0.000 0.992 160 V HN 1.072 nan 8.190 nan 0.000 0.471 161 H N 5.115 124.296 119.070 0.186 0.000 2.582 161 H HA 0.311 4.867 4.556 0.000 0.000 0.269 161 H C 0.312 175.770 175.328 0.217 0.000 0.962 161 H CA 0.254 56.417 56.048 0.191 0.000 1.230 161 H CB 0.743 30.613 29.762 0.180 0.000 1.445 161 H HN 0.697 nan 8.280 nan 0.000 0.528 162 N N 0.468 119.428 118.700 0.433 0.000 2.648 162 N HA -0.009 4.731 4.740 0.000 0.000 0.272 162 N C -0.286 175.494 175.510 0.450 0.000 1.118 162 N CA -0.178 53.144 53.050 0.454 0.000 0.973 162 N CB 1.699 40.494 38.487 0.514 0.000 1.565 162 N HN 0.023 nan 8.380 nan 0.000 0.542 163 L N 3.224 124.739 121.223 0.486 0.000 2.492 163 L HA 0.298 4.638 4.340 0.000 0.000 0.223 163 L C 2.102 179.129 176.870 0.262 0.000 1.132 163 L CA 1.106 56.151 54.840 0.342 0.000 0.850 163 L CB 0.034 42.234 42.059 0.234 0.000 0.966 163 L HN 0.748 nan 8.230 nan 0.000 0.454 164 A N -1.501 121.392 122.820 0.122 0.000 2.119 164 A HA -0.078 4.243 4.320 0.000 0.000 0.217 164 A C 0.032 177.383 177.584 -0.388 0.000 1.153 164 A CA 0.560 52.418 52.037 -0.297 0.000 0.692 164 A CB -0.572 18.164 19.000 -0.440 0.000 0.799 164 A HN 0.337 nan 8.150 nan 0.000 0.458 165 Y N 0.011 120.379 120.300 0.112 0.000 2.353 165 Y HA 0.449 4.999 4.550 0.000 0.000 0.340 165 Y C 1.062 176.908 175.900 -0.091 0.000 0.972 165 Y CA -0.642 57.461 58.100 0.005 0.000 1.157 165 Y CB 1.084 39.663 38.460 0.197 0.000 1.157 165 Y HN 0.231 nan 8.280 nan 0.000 0.495 166 Q N 2.225 121.898 119.800 -0.211 0.000 2.350 166 Q HA 0.216 4.556 4.340 0.000 0.000 0.225 166 Q C 1.072 176.836 176.000 -0.392 0.000 0.878 166 Q CA 0.281 55.949 55.803 -0.225 0.000 0.935 166 Q CB 0.862 29.480 28.738 -0.199 0.000 1.099 166 Q HN 1.077 nan 8.270 nan 0.000 0.527 167 G N 2.277 110.450 108.800 -1.046 0.000 2.350 167 G HA2 -0.235 3.726 3.960 0.000 0.000 0.298 167 G HA3 -0.235 3.726 3.960 0.000 0.000 0.298 167 G C -0.088 174.255 174.900 -0.929 0.000 1.037 167 G CA 0.011 44.297 45.100 -1.357 0.000 1.074 167 G HN 0.075 nan 8.290 nan 0.000 0.511 168 M N -0.269 118.731 119.600 -0.999 0.000 2.162 168 M HA 0.629 5.109 4.480 0.000 0.000 0.356 168 M C -0.002 175.602 176.300 -1.160 0.000 1.303 168 M CA 0.152 55.041 55.300 -0.684 0.000 1.116 168 M CB 0.146 32.506 32.600 -0.400 0.000 1.632 168 M HN 0.183 nan 8.290 nan 0.000 0.469 169 F N 1.150 120.995 119.950 -0.174 0.000 2.588 169 F HA 0.460 4.988 4.527 0.000 0.000 0.310 169 F C -0.322 175.469 175.800 -0.014 0.000 1.082 169 F CA -1.049 56.846 58.000 -0.175 0.000 0.929 169 F CB 1.062 39.977 39.000 -0.142 0.000 1.254 169 F HN 0.394 nan 8.300 nan 0.000 0.455 170 Y N 0.758 121.233 120.300 0.291 0.000 2.805 170 Y HA 0.128 4.679 4.550 0.001 0.000 0.337 170 Y C 1.477 177.388 175.900 0.018 0.000 1.252 170 Y CA -0.016 58.164 58.100 0.133 0.000 1.515 170 Y CB 0.585 39.100 38.460 0.092 0.000 1.305 170 Y HN 0.829 nan 8.280 nan 0.000 0.600 171 A N 2.193 125.142 122.820 0.214 0.000 2.032 171 A HA -0.287 4.033 4.320 0.000 0.000 0.221 171 A C 1.763 179.257 177.584 -0.150 0.000 1.165 171 A CA 2.084 54.071 52.037 -0.082 0.000 0.645 171 A CB -1.205 17.621 19.000 -0.290 0.000 0.807 171 A HN 1.032 nan 8.150 nan 0.000 0.453 172 H N -2.586 116.480 119.070 -0.005 0.000 2.489 172 H HA -0.083 4.473 4.556 0.000 0.000 0.293 172 H C 1.563 176.841 175.328 -0.085 0.000 1.066 172 H CA 1.467 57.501 56.048 -0.023 0.000 1.305 172 H CB -0.627 29.094 29.762 -0.068 0.000 1.386 172 H HN 0.598 nan 8.280 nan 0.000 0.551 173 H N 0.153 119.031 119.070 -0.320 0.000 2.545 173 H HA -0.029 4.528 4.556 0.001 0.000 0.282 173 H C 1.564 176.762 175.328 -0.216 0.000 1.020 173 H CA 0.941 56.874 56.048 -0.192 0.000 1.243 173 H CB 0.117 29.778 29.762 -0.169 0.000 1.377 173 H HN 0.405 nan 8.280 nan 0.000 0.581 174 M N 0.390 119.811 119.600 -0.298 0.000 2.260 174 M HA -0.191 4.289 4.480 0.000 0.000 0.261 174 M C 1.892 177.876 176.300 -0.526 0.000 1.066 174 M CA 0.765 55.670 55.300 -0.658 0.000 1.082 174 M CB -0.951 30.670 32.600 -1.631 0.000 1.388 174 M HN 0.367 nan 8.290 nan 0.000 0.419 175 N N 0.152 118.735 118.700 -0.195 0.000 2.453 175 N HA -0.138 4.603 4.740 0.000 0.000 0.183 175 N C 0.325 175.838 175.510 0.005 0.000 1.041 175 N CA 0.879 53.947 53.050 0.030 0.000 0.900 175 N CB 0.249 38.845 38.487 0.182 0.000 0.961 175 N HN 0.346 nan 8.380 nan 0.000 0.443 176 D N 0.040 120.428 120.400 -0.019 0.000 2.417 176 D HA 0.074 4.714 4.640 0.000 0.000 0.207 176 D C 1.460 177.637 176.300 -0.205 0.000 1.075 176 D CA 0.164 54.168 54.000 0.007 0.000 0.851 176 D CB 0.602 41.492 40.800 0.149 0.000 0.976 176 D HN 0.523 nan 8.370 nan 0.000 0.505 177 I N -2.464 117.876 120.570 -0.384 0.000 4.081 177 I HA 0.257 4.427 4.170 0.000 0.000 0.333 177 I C -0.086 175.593 176.117 -0.729 0.000 1.413 177 I CA -0.168 60.628 61.300 -0.840 0.000 1.110 177 I CB 0.268 37.977 38.000 -0.485 0.000 1.082 177 I HN -0.289 nan 8.210 nan 0.000 0.402 178 Q N 1.633 121.208 119.800 -0.376 0.000 2.468 178 Q HA -0.106 4.235 4.340 0.000 0.000 0.289 178 Q C -0.835 175.120 176.000 -0.076 0.000 1.299 178 Q CA 0.540 56.263 55.803 -0.134 0.000 0.838 178 Q CB -1.112 27.641 28.738 0.025 0.000 1.195 178 Q HN 0.645 nan 8.270 nan 0.000 0.456 179 L N -0.128 120.946 121.223 -0.249 0.000 2.330 179 L HA 0.587 4.928 4.340 0.000 0.000 0.271 179 L C -1.972 174.653 176.870 -0.409 0.000 1.013 179 L CA -2.374 52.232 54.840 -0.391 0.000 0.816 179 L CB 1.221 42.978 42.059 -0.503 0.000 1.287 179 L HN -0.112 nan 8.230 nan 0.000 0.435 180 P HA -0.088 nan 4.420 nan 0.000 0.264 180 P C -0.195 177.035 177.300 -0.117 0.000 1.183 180 P CA 0.299 63.206 63.100 -0.323 0.000 0.763 180 P CB 0.330 31.737 31.700 -0.488 0.000 0.807 181 W N 1.998 123.288 121.300 -0.016 0.000 2.392 181 W HA -0.167 4.493 4.660 0.001 0.000 0.279 181 W C 2.348 178.979 176.519 0.186 0.000 1.225 181 W CA 1.692 59.083 57.345 0.077 0.000 1.233 181 W CB -0.398 29.091 29.460 0.048 0.000 1.122 181 W HN 0.376 nan 8.180 nan 0.000 0.561 182 S N -1.047 114.899 115.700 0.411 0.000 2.474 182 S HA -0.185 4.285 4.470 0.000 0.000 0.235 182 S C 1.553 176.447 174.600 0.490 0.000 0.997 182 S CA 0.652 59.092 58.200 0.401 0.000 0.949 182 S CB -0.865 62.530 63.200 0.325 0.000 0.766 182 S HN 0.118 nan 8.310 nan 0.000 0.517 183 F N 1.156 121.210 119.950 0.173 0.000 2.502 183 F HA 0.326 4.853 4.527 0.000 0.000 0.298 183 F C 0.814 176.705 175.800 0.153 0.000 1.111 183 F CA -1.055 57.037 58.000 0.153 0.000 1.445 183 F CB -0.797 38.242 39.000 0.065 0.000 1.081 183 F HN 0.284 nan 8.300 nan 0.000 0.558 184 F N 2.572 122.672 119.950 0.249 0.000 2.509 184 F HA 0.252 4.779 4.527 0.000 0.000 0.350 184 F C 0.115 176.009 175.800 0.156 0.000 1.220 184 F CA -0.091 58.014 58.000 0.176 0.000 1.151 184 F CB -0.470 38.649 39.000 0.199 0.000 1.379 184 F HN -0.111 nan 8.300 nan 0.000 0.610 185 N N 5.443 123.976 118.700 -0.279 0.000 2.846 185 N HA 0.027 4.767 4.740 0.000 0.000 0.248 185 N C 0.681 176.005 175.510 -0.310 0.000 1.097 185 N CA -0.469 52.460 53.050 -0.203 0.000 1.013 185 N CB 1.091 39.565 38.487 -0.022 0.000 1.686 185 N HN 0.637 nan 8.380 nan 0.000 0.520 186 I N 1.824 122.232 120.570 -0.270 0.000 2.229 186 I HA -0.257 3.913 4.170 0.000 0.000 0.250 186 I C 0.401 176.209 176.117 -0.514 0.000 1.096 186 I CA 1.510 62.612 61.300 -0.330 0.000 1.358 186 I CB -0.025 37.805 38.000 -0.283 0.000 1.047 186 I HN 0.471 nan 8.210 nan 0.000 0.422 187 H N 1.235 120.113 119.070 -0.320 0.000 2.855 187 H HA 0.411 4.967 4.556 0.000 0.000 0.238 187 H C 0.480 175.215 175.328 -0.989 0.000 1.847 187 H CA 0.612 56.357 56.048 -0.504 0.000 1.368 187 H CB -0.421 29.246 29.762 -0.160 0.000 1.758 187 H HN 0.549 nan 8.280 nan 0.000 0.546 188 G N 0.796 108.710 108.800 -1.476 0.000 2.398 188 G HA2 -0.052 3.909 3.960 0.000 0.000 0.251 188 G HA3 -0.052 3.909 3.960 0.000 0.000 0.251 188 G C -0.185 174.332 174.900 -0.639 0.000 1.277 188 G CA -0.479 43.971 45.100 -1.083 0.000 0.927 188 G HN 0.255 nan 8.290 nan 0.000 0.477 189 L N -0.509 120.619 121.223 -0.160 0.000 2.628 189 L HA 0.514 4.855 4.340 0.000 0.000 0.229 189 L C 0.723 177.581 176.870 -0.020 0.000 1.137 189 L CA -0.073 54.772 54.840 0.008 0.000 0.909 189 L CB -0.097 42.090 42.059 0.213 0.000 1.137 189 L HN 0.495 nan 8.230 nan 0.000 0.470 190 E N 1.190 121.244 120.200 -0.244 0.000 2.366 190 E HA 0.218 4.569 4.350 0.000 0.000 0.266 190 E C -1.530 175.025 176.600 -0.074 0.000 1.051 190 E CA -0.327 55.824 56.400 -0.414 0.000 0.884 190 E CB 1.007 30.103 29.700 -1.006 0.000 1.006 190 E HN 0.182 nan 8.360 nan 0.000 0.417 191 F N 3.841 123.694 119.950 -0.162 0.000 2.991 191 F HA 0.222 4.750 4.527 0.000 0.000 0.355 191 F C -0.510 175.266 175.800 -0.040 0.000 1.262 191 F CA -0.588 57.357 58.000 -0.093 0.000 1.127 191 F CB 0.140 39.112 39.000 -0.047 0.000 1.447 191 F HN 0.740 nan 8.300 nan 0.000 0.584 192 N N 4.290 122.689 118.700 -0.502 0.000 2.714 192 N HA -0.192 4.548 4.740 0.000 0.000 0.252 192 N C 0.999 176.436 175.510 -0.121 0.000 1.014 192 N CA 0.909 53.726 53.050 -0.387 0.000 0.735 192 N CB -0.872 37.259 38.487 -0.593 0.000 0.924 192 N HN 1.376 nan 8.380 nan 0.000 0.540 193 G N -1.413 107.381 108.800 -0.011 0.000 2.199 193 G HA2 -0.342 3.618 3.960 0.000 0.000 0.254 193 G HA3 -0.342 3.618 3.960 0.000 0.000 0.254 193 G C -0.014 175.102 174.900 0.359 0.000 0.982 193 G CA 0.809 46.017 45.100 0.180 0.000 0.632 193 G HN 0.526 nan 8.290 nan 0.000 0.529 194 Q N -0.816 119.161 119.800 0.295 0.000 2.486 194 Q HA 0.727 5.067 4.340 0.000 0.000 0.274 194 Q C -0.055 176.235 176.000 0.483 0.000 1.076 194 Q CA -1.145 54.898 55.803 0.399 0.000 0.872 194 Q CB 1.724 30.607 28.738 0.242 0.000 1.383 194 Q HN 0.301 nan 8.270 nan 0.000 0.478 195 I N 1.011 121.878 120.570 0.496 0.000 2.441 195 I HA 0.087 4.257 4.170 0.000 0.000 0.287 195 I C 0.011 176.357 176.117 0.381 0.000 1.049 195 I CA 0.228 61.819 61.300 0.486 0.000 1.381 195 I CB 1.115 39.426 38.000 0.517 0.000 1.409 195 I HN 0.309 nan 8.210 nan 0.000 0.523 196 S N 5.530 121.441 115.700 0.351 0.000 2.596 196 S HA 0.381 4.851 4.470 0.000 0.000 0.318 196 S C 0.749 175.610 174.600 0.435 0.000 1.097 196 S CA -0.588 57.775 58.200 0.271 0.000 1.080 196 S CB 0.457 63.711 63.200 0.090 0.000 0.991 196 S HN 0.421 nan 8.310 nan 0.000 0.471 197 F N 3.440 123.529 119.950 0.232 0.000 2.234 197 F HA 0.007 4.534 4.527 0.000 0.000 0.299 197 F C 1.969 177.882 175.800 0.188 0.000 1.087 197 F CA 0.567 58.754 58.000 0.311 0.000 1.340 197 F CB -0.584 38.777 39.000 0.603 0.000 1.031 197 F HN 0.559 nan 8.300 nan 0.000 0.500 198 L N -0.118 121.319 121.223 0.356 0.000 2.017 198 L HA -0.236 4.104 4.340 0.000 0.000 0.208 198 L C 2.729 179.563 176.870 -0.060 0.000 1.073 198 L CA 1.630 56.579 54.840 0.181 0.000 0.745 198 L CB -0.386 41.758 42.059 0.142 0.000 0.894 198 L HN 0.017 nan 8.230 nan 0.000 0.432 199 K N 0.334 120.693 120.400 -0.067 0.000 2.032 199 K HA -0.191 4.129 4.320 0.000 0.000 0.209 199 K C 1.985 178.550 176.600 -0.059 0.000 1.048 199 K CA 1.707 57.929 56.287 -0.108 0.000 0.927 199 K CB -0.417 32.030 32.500 -0.090 0.000 0.712 199 K HN 0.429 nan 8.250 nan 0.000 0.441 200 A N 0.265 123.103 122.820 0.031 0.000 1.908 200 A HA -0.121 4.200 4.320 0.000 0.000 0.218 200 A C 2.454 180.041 177.584 0.005 0.000 1.181 200 A CA 2.333 54.450 52.037 0.134 0.000 0.627 200 A CB -1.159 17.914 19.000 0.122 0.000 0.818 200 A HN 0.467 nan 8.150 nan 0.000 0.445 201 G N -0.250 108.334 108.800 -0.361 0.000 2.433 201 G HA2 -0.148 3.813 3.960 0.000 0.000 0.216 201 G HA3 -0.148 3.813 3.960 0.000 0.000 0.216 201 G C 1.564 176.019 174.900 -0.742 0.000 1.186 201 G CA 1.016 45.527 45.100 -0.982 0.000 0.779 201 G HN 0.434 nan 8.290 nan 0.000 0.543 202 L N -1.132 119.759 121.223 -0.555 0.000 2.046 202 L HA -0.085 4.255 4.340 0.000 0.000 0.208 202 L C 2.609 179.391 176.870 -0.147 0.000 1.077 202 L CA 1.346 56.071 54.840 -0.193 0.000 0.747 202 L CB -0.475 41.526 42.059 -0.096 0.000 0.896 202 L HN 0.303 nan 8.230 nan 0.000 0.432 203 Y N -0.598 119.533 120.300 -0.281 0.000 2.184 203 Y HA -0.236 4.314 4.550 0.000 0.000 0.290 203 Y C 2.197 177.849 175.900 -0.414 0.000 1.129 203 Y CA 1.542 59.401 58.100 -0.401 0.000 1.144 203 Y CB -0.143 37.942 38.460 -0.625 0.000 0.995 203 Y HN 0.016 nan 8.280 nan 0.000 0.513 204 Y N -0.076 120.204 120.300 -0.034 0.000 2.517 204 Y HA 0.339 4.889 4.550 0.000 0.000 0.281 204 Y C 1.404 177.259 175.900 -0.075 0.000 1.125 204 Y CA -0.166 57.899 58.100 -0.058 0.000 1.283 204 Y CB -0.327 38.138 38.460 0.008 0.000 1.042 204 Y HN 0.063 nan 8.280 nan 0.000 0.547 205 A N 0.738 123.591 122.820 0.055 0.000 2.462 205 A HA -0.004 4.316 4.320 0.000 0.000 0.243 205 A C 0.939 178.545 177.584 0.037 0.000 1.076 205 A CA -0.165 51.924 52.037 0.086 0.000 0.773 205 A CB 0.160 19.254 19.000 0.157 0.000 1.010 205 A HN 0.354 nan 8.150 nan 0.000 0.493 206 D N -0.066 120.374 120.400 0.067 0.000 2.149 206 D HA -0.093 4.547 4.640 0.000 0.000 0.198 206 D C 0.457 176.819 176.300 0.104 0.000 0.990 206 D CA 1.732 55.769 54.000 0.063 0.000 0.839 206 D CB 0.059 40.904 40.800 0.075 0.000 0.948 206 D HN 0.663 nan 8.370 nan 0.000 0.460 207 H N -1.013 118.078 119.070 0.036 0.000 2.974 207 H HA 0.415 4.971 4.556 0.000 0.000 0.366 207 H C -1.185 174.191 175.328 0.081 0.000 1.155 207 H CA -0.567 55.508 56.048 0.044 0.000 1.186 207 H CB 1.361 31.151 29.762 0.046 0.000 1.799 207 H HN -0.198 nan 8.280 nan 0.000 0.541 208 I N 3.082 123.585 120.570 -0.112 0.000 2.441 208 I HA 0.265 4.436 4.170 0.000 0.000 0.295 208 I C 0.416 176.640 176.117 0.178 0.000 0.994 208 I CA -0.609 60.753 61.300 0.104 0.000 1.144 208 I CB 2.083 40.110 38.000 0.045 0.000 1.314 208 I HN 0.569 nan 8.210 nan 0.000 0.445 209 T N 2.272 116.965 114.554 0.231 0.000 2.924 209 T HA 0.899 5.249 4.350 0.000 0.000 0.291 209 T C -0.617 174.166 174.700 0.138 0.000 1.045 209 T CA -0.757 61.467 62.100 0.208 0.000 1.015 209 T CB 2.096 71.127 68.868 0.272 0.000 1.103 209 T HN 0.705 nan 8.240 nan 0.000 0.496 210 A N 1.073 123.963 122.820 0.116 0.000 2.386 210 A HA 0.715 5.036 4.320 0.000 0.000 0.308 210 A C 1.079 178.728 177.584 0.109 0.000 1.128 210 A CA -0.429 51.687 52.037 0.131 0.000 0.789 210 A CB 1.352 20.451 19.000 0.166 0.000 1.325 210 A HN 1.656 nan 8.150 nan 0.000 0.437 211 V N -0.730 119.235 119.914 0.084 0.000 3.630 211 V HA 0.338 4.458 4.120 0.000 0.000 0.273 211 V C 0.457 176.559 176.094 0.014 0.000 1.248 211 V CA 0.873 63.193 62.300 0.034 0.000 1.170 211 V CB -1.890 29.911 31.823 -0.037 0.000 0.899 211 V HN 1.250 nan 8.190 nan 0.000 0.457 212 S N -2.526 113.197 115.700 0.037 0.000 2.547 212 S HA 0.613 5.083 4.470 0.000 0.000 0.270 212 S C -2.550 172.060 174.600 0.017 0.000 1.150 212 S CA -0.869 57.331 58.200 0.000 0.000 0.850 212 S CB 1.827 65.004 63.200 -0.037 0.000 1.118 212 S HN -0.000 nan 8.310 nan 0.000 0.461 213 P HA -0.097 nan 4.420 nan 0.000 0.215 213 P C 1.798 179.077 177.300 -0.036 0.000 1.153 213 P CA 2.282 65.367 63.100 -0.025 0.000 0.853 213 P CB -0.149 31.532 31.700 -0.031 0.000 0.788 214 T N -3.606 110.926 114.554 -0.037 0.000 2.985 214 T HA -0.166 4.184 4.350 0.000 0.000 0.266 214 T C 1.834 176.492 174.700 -0.070 0.000 1.076 214 T CA 0.569 62.630 62.100 -0.064 0.000 1.135 214 T CB -1.081 67.742 68.868 -0.074 0.000 0.890 214 T HN -0.079 nan 8.240 nan 0.000 0.480 215 Y N 1.955 122.150 120.300 -0.174 0.000 2.293 215 Y HA 0.233 4.784 4.550 0.001 0.000 0.291 215 Y C 2.662 178.471 175.900 -0.152 0.000 1.137 215 Y CA 0.491 58.474 58.100 -0.195 0.000 1.202 215 Y CB -0.887 37.498 38.460 -0.126 0.000 0.990 215 Y HN 0.343 nan 8.280 nan 0.000 0.537 216 A N 0.329 123.101 122.820 -0.081 0.000 1.978 216 A HA -0.197 4.123 4.320 0.000 0.000 0.220 216 A C 2.332 179.780 177.584 -0.226 0.000 1.170 216 A CA 1.790 53.738 52.037 -0.148 0.000 0.636 216 A CB -0.467 18.494 19.000 -0.066 0.000 0.810 216 A HN 0.513 nan 8.150 nan 0.000 0.448 217 R N -0.579 119.795 120.500 -0.210 0.000 2.062 217 R HA -0.047 4.293 4.340 0.000 0.000 0.226 217 R C 2.078 178.236 176.300 -0.236 0.000 1.125 217 R CA 1.266 57.226 56.100 -0.232 0.000 0.966 217 R CB -0.357 29.839 30.300 -0.173 0.000 0.861 217 R HN 0.647 nan 8.270 nan 0.000 0.433 218 E N 1.253 121.281 120.200 -0.286 0.000 2.097 218 E HA -0.201 4.149 4.350 0.000 0.000 0.196 218 E C 1.963 178.410 176.600 -0.255 0.000 1.000 218 E CA 1.512 57.717 56.400 -0.325 0.000 0.804 218 E CB -0.296 28.944 29.700 -0.768 0.000 0.740 218 E HN 0.484 nan 8.360 nan 0.000 0.454 219 I N -0.330 119.978 120.570 -0.436 0.000 3.334 219 I HA -0.049 4.121 4.170 0.000 0.000 0.282 219 I C 1.889 177.871 176.117 -0.226 0.000 1.313 219 I CA 1.151 62.219 61.300 -0.385 0.000 1.396 219 I CB -0.459 37.227 38.000 -0.523 0.000 1.054 219 I HN -0.067 nan 8.210 nan 0.000 0.495 220 T N -1.895 112.547 114.554 -0.187 0.000 3.169 220 T HA 0.257 4.607 4.350 0.000 0.000 0.250 220 T C 0.349 174.996 174.700 -0.087 0.000 1.111 220 T CA -0.246 61.777 62.100 -0.130 0.000 1.010 220 T CB -0.411 68.371 68.868 -0.143 0.000 0.984 220 T HN 0.562 nan 8.240 nan 0.000 0.537 221 E N 1.415 121.573 120.200 -0.070 0.000 2.199 221 E HA 0.306 4.657 4.350 0.000 0.000 0.269 221 E C -2.204 174.338 176.600 -0.096 0.000 0.899 221 E CA -2.816 53.560 56.400 -0.038 0.000 0.772 221 E CB 2.194 31.925 29.700 0.050 0.000 1.155 221 E HN -0.072 nan 8.360 nan 0.000 0.408 222 P HA -0.259 nan 4.420 nan 0.000 0.217 222 P C 1.292 178.444 177.300 -0.246 0.000 1.148 222 P CA 1.260 64.274 63.100 -0.143 0.000 0.828 222 P CB 0.272 31.916 31.700 -0.093 0.000 0.783 223 Q N -1.535 118.083 119.800 -0.304 0.000 2.226 223 Q HA -0.129 4.212 4.340 0.000 0.000 0.204 223 Q C 0.940 176.437 176.000 -0.838 0.000 0.975 223 Q CA 1.357 56.839 55.803 -0.535 0.000 0.866 223 Q CB -0.255 28.080 28.738 -0.671 0.000 0.915 223 Q HN 0.262 nan 8.270 nan 0.000 0.440 224 F N -2.137 117.537 119.950 -0.461 0.000 2.728 224 F HA 0.378 4.905 4.527 0.000 0.000 0.314 224 F C 1.471 176.625 175.800 -1.076 0.000 1.094 224 F CA 0.138 57.723 58.000 -0.692 0.000 1.217 224 F CB 0.709 39.492 39.000 -0.363 0.000 1.056 224 F HN 0.065 nan 8.300 nan 0.000 0.577 225 A N -1.444 120.938 122.820 -0.730 0.000 2.288 225 A HA 0.163 4.484 4.320 0.000 0.000 0.216 225 A C 0.284 177.622 177.584 -0.411 0.000 1.199 225 A CA -0.116 51.616 52.037 -0.508 0.000 0.891 225 A CB -0.845 18.010 19.000 -0.242 0.000 0.923 225 A HN 0.443 nan 8.150 nan 0.000 0.500 226 Y N -1.094 119.165 120.300 -0.069 0.000 3.225 226 Y HA -0.251 4.299 4.550 0.000 0.000 0.211 226 Y C 1.504 177.463 175.900 0.099 0.000 1.223 226 Y CA 0.573 58.657 58.100 -0.025 0.000 1.284 226 Y CB -1.938 36.490 38.460 -0.054 0.000 1.367 226 Y HN 0.989 nan 8.280 nan 0.000 0.566 227 G N -1.791 107.099 108.800 0.150 0.000 2.195 227 G HA2 -0.297 3.663 3.960 0.000 0.000 0.224 227 G HA3 -0.297 3.663 3.960 0.000 0.000 0.224 227 G C 0.620 175.678 174.900 0.262 0.000 0.990 227 G CA 0.221 45.455 45.100 0.224 0.000 0.639 227 G HN 0.390 nan 8.290 nan 0.000 0.514 228 M N 1.214 120.885 119.600 0.118 0.000 2.428 228 M HA 0.116 4.597 4.480 0.000 0.000 0.239 228 M C 2.286 178.576 176.300 -0.017 0.000 1.121 228 M CA 1.150 56.466 55.300 0.026 0.000 1.019 228 M CB -0.187 32.339 32.600 -0.124 0.000 1.485 228 M HN 0.534 nan 8.290 nan 0.000 0.484 229 E N 0.888 121.069 120.200 -0.032 0.000 2.160 229 E HA -0.162 4.188 4.350 0.000 0.000 0.195 229 E C 1.796 178.374 176.600 -0.036 0.000 0.991 229 E CA 1.855 58.221 56.400 -0.057 0.000 0.810 229 E CB -0.875 28.785 29.700 -0.066 0.000 0.742 229 E HN 0.463 nan 8.360 nan 0.000 0.466 230 G N 2.030 110.820 108.800 -0.017 0.000 2.422 230 G HA2 -0.206 3.754 3.960 0.000 0.000 0.218 230 G HA3 -0.206 3.754 3.960 0.000 0.000 0.218 230 G C 1.655 176.545 174.900 -0.018 0.000 1.146 230 G CA 0.748 45.840 45.100 -0.014 0.000 0.769 230 G HN 0.258 nan 8.290 nan 0.000 0.547 231 L N -0.263 120.948 121.223 -0.019 0.000 2.027 231 L HA 0.043 4.383 4.340 0.000 0.000 0.206 231 L C 2.882 179.728 176.870 -0.040 0.000 1.074 231 L CA 1.040 55.864 54.840 -0.026 0.000 0.745 231 L CB -0.185 41.860 42.059 -0.022 0.000 0.898 231 L HN 0.229 nan 8.230 nan 0.000 0.433 232 L N -0.627 120.569 121.223 -0.045 0.000 2.056 232 L HA -0.245 4.095 4.340 0.000 0.000 0.207 232 L C 2.627 179.485 176.870 -0.020 0.000 1.078 232 L CA 1.260 56.069 54.840 -0.051 0.000 0.749 232 L CB -0.465 41.545 42.059 -0.082 0.000 0.901 232 L HN 0.295 nan 8.230 nan 0.000 0.433 233 Q N -0.576 119.215 119.800 -0.014 0.000 2.061 233 Q HA -0.311 4.029 4.340 0.000 0.000 0.204 233 Q C 2.244 178.265 176.000 0.035 0.000 0.984 233 Q CA 1.978 57.796 55.803 0.026 0.000 0.846 233 Q CB -0.195 28.549 28.738 0.009 0.000 0.902 233 Q HN 0.382 nan 8.270 nan 0.000 0.421 234 Q N 0.445 120.245 119.800 -0.001 0.000 2.079 234 Q HA -0.138 4.202 4.340 0.000 0.000 0.200 234 Q C 1.863 177.840 176.000 -0.038 0.000 0.974 234 Q CA 1.360 57.152 55.803 -0.018 0.000 0.840 234 Q CB 0.117 28.842 28.738 -0.022 0.000 0.898 234 Q HN 0.104 nan 8.270 nan 0.000 0.430 235 R N -0.505 119.968 120.500 -0.046 0.000 2.092 235 R HA -0.126 4.214 4.340 0.000 0.000 0.231 235 R C 2.283 178.562 176.300 -0.034 0.000 1.119 235 R CA 1.540 57.596 56.100 -0.073 0.000 0.970 235 R CB -0.983 29.256 30.300 -0.102 0.000 0.864 235 R HN 0.613 nan 8.270 nan 0.000 0.440 236 H N 1.098 120.113 119.070 -0.092 0.000 2.290 236 H HA -0.076 4.480 4.556 0.000 0.000 0.298 236 H C 1.907 177.201 175.328 -0.057 0.000 1.087 236 H CA 1.706 57.709 56.048 -0.075 0.000 1.291 236 H CB 0.202 29.925 29.762 -0.064 0.000 1.369 236 H HN 0.060 nan 8.280 nan 0.000 0.492 237 R N 0.281 120.659 120.500 -0.203 0.000 2.139 237 R HA -0.151 4.189 4.340 0.000 0.000 0.243 237 R C 2.061 178.264 176.300 -0.162 0.000 1.145 237 R CA 1.879 57.845 56.100 -0.223 0.000 0.976 237 R CB -0.085 30.151 30.300 -0.107 0.000 0.866 237 R HN 0.595 nan 8.270 nan 0.000 0.449 238 E N -0.877 119.254 120.200 -0.115 0.000 2.502 238 E HA 0.043 4.394 4.350 0.000 0.000 0.194 238 E C 0.653 177.208 176.600 -0.075 0.000 1.062 238 E CA 0.327 56.675 56.400 -0.087 0.000 0.867 238 E CB 0.470 30.121 29.700 -0.081 0.000 0.888 238 E HN 0.508 nan 8.360 nan 0.000 0.510 239 G N 1.974 110.716 108.800 -0.096 0.000 2.198 239 G HA2 -0.341 3.619 3.960 0.000 0.000 0.257 239 G HA3 -0.341 3.619 3.960 0.000 0.000 0.257 239 G C 0.559 175.454 174.900 -0.008 0.000 1.042 239 G CA 0.265 45.342 45.100 -0.040 0.000 0.791 239 G HN 0.263 nan 8.290 nan 0.000 0.502 240 R N -1.362 119.062 120.500 -0.126 0.000 2.577 240 R HA 0.448 4.789 4.340 0.000 0.000 0.344 240 R C -0.036 175.847 176.300 -0.695 0.000 1.037 240 R CA -0.298 55.581 56.100 -0.368 0.000 1.102 240 R CB 0.680 30.850 30.300 -0.216 0.000 1.313 240 R HN 0.325 nan 8.270 nan 0.000 0.561 241 L N 0.687 121.700 121.223 -0.349 0.000 2.409 241 L HA 0.538 4.878 4.340 0.000 0.000 0.272 241 L C -0.861 176.027 176.870 0.029 0.000 0.980 241 L CA -0.300 54.425 54.840 -0.192 0.000 0.826 241 L CB 1.970 43.997 42.059 -0.053 0.000 1.268 241 L HN 0.099 nan 8.230 nan 0.000 0.407 242 S N 2.258 118.040 115.700 0.137 0.000 2.625 242 S HA 0.953 5.424 4.470 0.000 0.000 0.271 242 S C -0.548 174.109 174.600 0.094 0.000 1.161 242 S CA -0.330 57.962 58.200 0.153 0.000 0.820 242 S CB 1.329 64.661 63.200 0.221 0.000 1.137 242 S HN 0.978 nan 8.310 nan 0.000 0.470 243 G N -0.097 108.724 108.800 0.035 0.000 2.415 243 G HA2 0.629 4.589 3.960 0.000 0.000 0.327 243 G HA3 0.629 4.589 3.960 0.000 0.000 0.327 243 G C -1.457 173.419 174.900 -0.041 0.000 1.182 243 G CA -0.866 44.241 45.100 0.011 0.000 0.924 243 G HN 0.972 nan 8.290 nan 0.000 0.470 244 V N 3.382 123.262 119.914 -0.057 0.000 2.447 244 V HA 0.259 4.379 4.120 0.000 0.000 0.292 244 V C -0.231 175.833 176.094 -0.050 0.000 1.021 244 V CA -0.806 61.403 62.300 -0.151 0.000 0.850 244 V CB 1.402 32.931 31.823 -0.490 0.000 1.005 244 V HN 0.738 nan 8.190 nan 0.000 0.426 245 L N 5.167 126.354 121.223 -0.060 0.000 2.453 245 L HA 0.250 4.591 4.340 0.000 0.000 0.272 245 L C 0.709 177.514 176.870 -0.109 0.000 1.182 245 L CA 0.812 55.614 54.840 -0.064 0.000 0.858 245 L CB 0.126 42.155 42.059 -0.051 0.000 1.120 245 L HN 0.692 nan 8.230 nan 0.000 0.474 246 N N 1.959 120.561 118.700 -0.163 0.000 2.381 246 N HA 0.351 5.091 4.740 0.000 0.000 0.241 246 N C 0.086 175.107 175.510 -0.815 0.000 1.279 246 N CA 0.319 53.103 53.050 -0.442 0.000 0.896 246 N CB 0.457 38.829 38.487 -0.191 0.000 1.118 246 N HN 0.797 nan 8.380 nan 0.000 0.438 247 G N -0.645 107.025 108.800 -1.883 0.000 2.613 247 G HA2 0.506 4.466 3.960 0.000 0.000 0.303 247 G HA3 0.506 4.466 3.960 0.000 0.000 0.303 247 G C -0.862 173.541 174.900 -0.828 0.000 1.312 247 G CA -0.512 43.777 45.100 -1.351 0.000 1.036 247 G HN 0.446 nan 8.290 nan 0.000 0.513 248 V N -1.280 118.487 119.914 -0.246 0.000 2.628 248 V HA 0.573 4.693 4.120 0.000 0.000 0.306 248 V C -0.966 175.378 176.094 0.416 0.000 1.045 248 V CA -0.990 61.440 62.300 0.218 0.000 0.905 248 V CB 1.914 33.923 31.823 0.309 0.000 0.997 248 V HN 0.571 nan 8.190 nan 0.000 0.436 249 D N 4.423 125.159 120.400 0.560 0.000 2.344 249 D HA 0.099 4.739 4.640 0.000 0.000 0.253 249 D C 1.283 177.786 176.300 0.338 0.000 1.255 249 D CA 0.149 54.430 54.000 0.468 0.000 0.894 249 D CB 1.325 42.355 40.800 0.382 0.000 1.067 249 D HN 0.882 nan 8.370 nan 0.000 0.492 250 E N 4.324 124.685 120.200 0.268 0.000 2.338 250 E HA -0.192 4.159 4.350 0.000 0.000 0.197 250 E C 0.654 177.330 176.600 0.128 0.000 1.007 250 E CA 0.839 57.349 56.400 0.183 0.000 0.849 250 E CB -0.040 29.742 29.700 0.137 0.000 0.774 250 E HN 0.474 nan 8.360 nan 0.000 0.506 251 K N 0.325 120.804 120.400 0.132 0.000 2.217 251 K HA -0.043 4.277 4.320 0.000 0.000 0.202 251 K C 2.172 178.803 176.600 0.053 0.000 1.051 251 K CA 1.456 57.794 56.287 0.085 0.000 0.952 251 K CB -0.077 32.481 32.500 0.097 0.000 0.736 251 K HN 0.295 nan 8.250 nan 0.000 0.453 252 I N -3.640 116.965 120.570 0.058 0.000 3.883 252 I HA 0.114 4.285 4.170 0.000 0.000 0.305 252 I C -0.242 175.751 176.117 -0.206 0.000 1.247 252 I CA -0.049 61.194 61.300 -0.096 0.000 1.350 252 I CB 0.439 38.364 38.000 -0.124 0.000 1.194 252 I HN -0.049 nan 8.210 nan 0.000 0.441 253 W N 2.537 123.861 121.300 0.039 0.000 2.243 253 W HA 0.720 5.381 4.660 0.001 0.000 0.331 253 W C -0.245 176.351 176.519 0.129 0.000 0.895 253 W CA -0.486 56.895 57.345 0.060 0.000 1.580 253 W CB 0.920 30.179 29.460 -0.335 0.000 1.568 253 W HN -0.115 nan 8.180 nan 0.000 0.372 254 S N 2.341 118.140 115.700 0.165 0.000 2.649 254 S HA 0.201 4.671 4.470 0.000 0.000 0.274 254 S C -1.726 172.603 174.600 -0.450 0.000 1.176 254 S CA -0.843 57.251 58.200 -0.176 0.000 0.988 254 S CB 2.321 65.470 63.200 -0.085 0.000 1.071 254 S HN 0.108 nan 8.310 nan 0.000 0.478 255 P HA -0.021 nan 4.420 nan 0.000 0.230 255 P C 0.573 177.507 177.300 -0.611 0.000 1.158 255 P CA 0.836 63.333 63.100 -1.005 0.000 0.769 255 P CB 0.318 30.956 31.700 -1.771 0.000 0.807 256 E N -0.079 119.863 120.200 -0.430 0.000 2.152 256 E HA -0.079 4.271 4.350 0.000 0.000 0.192 256 E C 1.661 178.170 176.600 -0.152 0.000 0.983 256 E CA 1.887 58.140 56.400 -0.246 0.000 0.818 256 E CB -0.687 28.911 29.700 -0.171 0.000 0.758 256 E HN 0.387 nan 8.360 nan 0.000 0.467 257 T N -2.879 111.593 114.554 -0.137 0.000 3.058 257 T HA 0.083 4.433 4.350 0.000 0.000 0.278 257 T C 0.244 174.904 174.700 -0.067 0.000 0.974 257 T CA -0.490 61.562 62.100 -0.080 0.000 0.893 257 T CB 0.111 68.945 68.868 -0.056 0.000 1.138 257 T HN -0.183 nan 8.240 nan 0.000 0.529 258 D N 2.127 122.482 120.400 -0.075 0.000 2.349 258 D HA 0.082 4.722 4.640 0.000 0.000 0.266 258 D C 0.891 177.173 176.300 -0.030 0.000 1.293 258 D CA -0.569 53.413 54.000 -0.030 0.000 0.926 258 D CB 0.603 41.451 40.800 0.081 0.000 1.090 258 D HN 0.031 nan 8.370 nan 0.000 0.502 259 L N 4.143 125.330 121.223 -0.059 0.000 2.465 259 L HA -0.013 4.327 4.340 0.000 0.000 0.224 259 L C 1.918 178.760 176.870 -0.046 0.000 1.145 259 L CA 0.819 55.631 54.840 -0.047 0.000 0.834 259 L CB -0.471 41.556 42.059 -0.054 0.000 0.944 259 L HN 0.573 nan 8.230 nan 0.000 0.451 260 L N -1.512 119.664 121.223 -0.080 0.000 2.554 260 L HA 0.005 4.345 4.340 0.000 0.000 0.226 260 L C 0.303 177.191 176.870 0.029 0.000 1.137 260 L CA -0.293 54.510 54.840 -0.061 0.000 0.863 260 L CB -0.060 41.887 42.059 -0.186 0.000 0.985 260 L HN 0.058 nan 8.230 nan 0.000 0.451 261 L N -0.599 120.660 121.223 0.060 0.000 2.375 261 L HA 0.291 4.631 4.340 0.000 0.000 0.271 261 L C 1.327 178.251 176.870 0.089 0.000 1.107 261 L CA 0.398 55.305 54.840 0.112 0.000 0.806 261 L CB 1.210 43.365 42.059 0.160 0.000 1.146 261 L HN -0.079 nan 8.230 nan 0.000 0.447 262 A N 1.810 124.689 122.820 0.098 0.000 1.908 262 A HA -0.061 4.260 4.320 0.000 0.000 0.218 262 A C 1.082 178.715 177.584 0.082 0.000 1.181 262 A CA 1.647 53.731 52.037 0.079 0.000 0.627 262 A CB -0.208 18.838 19.000 0.076 0.000 0.818 262 A HN 0.564 nan 8.150 nan 0.000 0.445 263 S N -1.143 114.628 115.700 0.118 0.000 2.672 263 S HA 0.569 5.040 4.470 0.000 0.000 0.291 263 S C -0.473 174.243 174.600 0.194 0.000 1.145 263 S CA -0.762 57.516 58.200 0.130 0.000 1.013 263 S CB 0.730 64.002 63.200 0.120 0.000 1.017 263 S HN 0.456 nan 8.310 nan 0.000 0.487 264 R N 2.267 122.840 120.500 0.121 0.000 2.615 264 R HA 0.569 4.909 4.340 0.000 0.000 0.270 264 R C -0.722 175.674 176.300 0.160 0.000 1.081 264 R CA -0.102 56.038 56.100 0.066 0.000 1.154 264 R CB 0.510 30.801 30.300 -0.015 0.000 1.063 264 R HN 0.727 nan 8.270 nan 0.000 0.519 265 Y N -2.942 117.344 120.300 -0.022 0.000 2.689 265 Y HA 0.599 5.149 4.550 -0.000 0.000 0.333 265 Y C -0.930 174.942 175.900 -0.046 0.000 1.208 265 Y CA -1.229 56.858 58.100 -0.021 0.000 1.055 265 Y CB 1.220 39.680 38.460 -0.000 0.000 1.304 265 Y HN 0.686 nan 8.280 nan 0.000 0.455 266 T N -2.255 112.394 114.554 0.158 0.000 2.887 266 T HA 0.371 4.721 4.350 0.000 0.000 0.292 266 T C 0.424 175.199 174.700 0.124 0.000 1.087 266 T CA -0.853 61.273 62.100 0.043 0.000 1.009 266 T CB 2.146 71.019 68.868 0.009 0.000 1.203 266 T HN 0.998 nan 8.240 nan 0.000 0.518 267 R N -0.154 120.376 120.500 0.051 0.000 2.200 267 R HA -0.092 4.248 4.340 0.000 0.000 0.234 267 R C 0.427 176.756 176.300 0.049 0.000 1.127 267 R CA 1.883 58.013 56.100 0.050 0.000 0.989 267 R CB -0.225 30.077 30.300 0.003 0.000 0.869 267 R HN 0.637 nan 8.270 nan 0.000 0.459 268 D N -1.087 119.339 120.400 0.043 0.000 2.395 268 D HA 0.019 4.659 4.640 0.000 0.000 0.213 268 D C 0.094 176.421 176.300 0.045 0.000 1.110 268 D CA 0.543 54.565 54.000 0.036 0.000 0.835 268 D CB 1.301 42.114 40.800 0.021 0.000 0.965 268 D HN 0.289 nan 8.370 nan 0.000 0.505 269 T N -1.985 112.612 114.554 0.071 0.000 3.633 269 T HA 0.263 4.613 4.350 0.000 0.000 0.278 269 T C 1.381 176.132 174.700 0.084 0.000 0.991 269 T CA -0.302 61.840 62.100 0.071 0.000 1.036 269 T CB -0.609 68.303 68.868 0.074 0.000 1.148 269 T HN -0.097 nan 8.240 nan 0.000 0.501 270 L N 1.519 122.779 121.223 0.062 0.000 2.353 270 L HA -0.080 4.260 4.340 0.000 0.000 0.220 270 L C 3.003 179.827 176.870 -0.076 0.000 1.133 270 L CA 1.326 56.162 54.840 -0.007 0.000 0.798 270 L CB -0.282 41.789 42.059 0.020 0.000 0.922 270 L HN 0.535 nan 8.230 nan 0.000 0.445 271 E N -0.212 119.971 120.200 -0.029 0.000 2.130 271 E HA -0.288 4.063 4.350 0.000 0.000 0.196 271 E C 0.933 177.506 176.600 -0.044 0.000 0.998 271 E CA 1.687 58.066 56.400 -0.036 0.000 0.806 271 E CB -0.534 29.157 29.700 -0.014 0.000 0.738 271 E HN 0.466 nan 8.360 nan 0.000 0.459 272 D N 1.159 121.548 120.400 -0.018 0.000 2.392 272 D HA -0.077 4.563 4.640 0.000 0.000 0.228 272 D C 1.622 177.882 176.300 -0.066 0.000 1.003 272 D CA 0.691 54.698 54.000 0.011 0.000 0.917 272 D CB -0.133 40.729 40.800 0.103 0.000 0.890 272 D HN 0.376 nan 8.370 nan 0.000 0.532 273 K N 0.544 120.764 120.400 -0.300 0.000 2.305 273 K HA 0.055 4.375 4.320 0.000 0.000 0.199 273 K C 1.877 178.362 176.600 -0.191 0.000 1.047 273 K CA 0.503 56.481 56.287 -0.516 0.000 0.976 273 K CB 0.196 32.144 32.500 -0.920 0.000 0.765 273 K HN -0.024 nan 8.250 nan 0.000 0.474 274 A N 1.440 124.193 122.820 -0.112 0.000 1.908 274 A HA -0.221 4.099 4.320 0.000 0.000 0.218 274 A C 1.947 179.521 177.584 -0.015 0.000 1.181 274 A CA 1.968 53.976 52.037 -0.049 0.000 0.627 274 A CB -0.574 18.405 19.000 -0.035 0.000 0.818 274 A HN 0.463 nan 8.150 nan 0.000 0.445 275 E N 0.972 121.170 120.200 -0.003 0.000 2.160 275 E HA -0.184 4.166 4.350 0.000 0.000 0.195 275 E C 1.683 178.304 176.600 0.035 0.000 0.991 275 E CA 1.715 58.127 56.400 0.020 0.000 0.810 275 E CB -0.329 29.390 29.700 0.031 0.000 0.742 275 E HN 0.623 nan 8.360 nan 0.000 0.466 276 N N 0.400 119.124 118.700 0.040 0.000 2.166 276 N HA -0.165 4.575 4.740 0.000 0.000 0.186 276 N C 1.605 177.140 175.510 0.043 0.000 1.019 276 N CA 1.222 54.311 53.050 0.065 0.000 0.856 276 N CB -0.277 38.277 38.487 0.112 0.000 0.993 276 N HN 0.257 nan 8.380 nan 0.000 0.426 277 K N 1.386 121.797 120.400 0.019 0.000 2.025 277 K HA -0.050 4.270 4.320 0.000 0.000 0.207 277 K C 2.184 178.796 176.600 0.021 0.000 1.049 277 K CA 0.725 57.019 56.287 0.013 0.000 0.933 277 K CB 0.118 32.621 32.500 0.004 0.000 0.714 277 K HN -0.005 nan 8.250 nan 0.000 0.438 278 R N 0.725 121.239 120.500 0.023 0.000 2.080 278 R HA -0.171 4.169 4.340 0.000 0.000 0.236 278 R C 2.249 178.571 176.300 0.037 0.000 1.137 278 R CA 2.030 58.147 56.100 0.027 0.000 0.943 278 R CB -0.116 30.198 30.300 0.023 0.000 0.846 278 R HN 0.350 nan 8.270 nan 0.000 0.431 279 Q N 0.037 119.863 119.800 0.045 0.000 2.224 279 Q HA -0.152 4.188 4.340 0.000 0.000 0.203 279 Q C 2.075 178.122 176.000 0.078 0.000 0.970 279 Q CA 0.961 56.798 55.803 0.058 0.000 0.865 279 Q CB -0.013 28.762 28.738 0.063 0.000 0.922 279 Q HN 0.259 nan 8.270 nan 0.000 0.445 280 L N 0.805 122.070 121.223 0.070 0.000 2.056 280 L HA -0.189 4.151 4.340 0.000 0.000 0.207 280 L C 2.053 178.972 176.870 0.082 0.000 1.078 280 L CA 1.775 56.664 54.840 0.081 0.000 0.749 280 L CB -0.320 41.752 42.059 0.022 0.000 0.901 280 L HN 0.134 nan 8.230 nan 0.000 0.433 281 Q N -0.474 119.357 119.800 0.052 0.000 2.020 281 Q HA -0.204 4.136 4.340 0.000 0.000 0.202 281 Q C 2.288 178.320 176.000 0.052 0.000 0.982 281 Q CA 2.275 58.106 55.803 0.046 0.000 0.838 281 Q CB -0.278 28.478 28.738 0.031 0.000 0.899 281 Q HN 0.557 nan 8.270 nan 0.000 0.423 282 I N 0.736 121.335 120.570 0.048 0.000 2.151 282 I HA -0.337 3.833 4.170 0.000 0.000 0.243 282 I C 2.427 178.572 176.117 0.048 0.000 1.080 282 I CA 1.194 62.519 61.300 0.043 0.000 1.339 282 I CB -0.453 37.569 38.000 0.037 0.000 1.039 282 I HN 0.195 nan 8.210 nan 0.000 0.409 283 A N 0.207 123.070 122.820 0.072 0.000 1.972 283 A HA -0.177 4.143 4.320 0.000 0.000 0.219 283 A C 2.238 179.859 177.584 0.060 0.000 1.169 283 A CA 1.531 53.608 52.037 0.067 0.000 0.635 283 A CB -0.326 18.759 19.000 0.142 0.000 0.810 283 A HN 0.347 nan 8.150 nan 0.000 0.446 284 M N -1.823 117.839 119.600 0.104 0.000 2.509 284 M HA 0.166 4.646 4.480 0.000 0.000 0.250 284 M C 1.336 177.672 176.300 0.061 0.000 1.132 284 M CA 0.950 56.310 55.300 0.100 0.000 1.080 284 M CB -0.680 31.996 32.600 0.127 0.000 1.408 284 M HN 0.785 nan 8.290 nan 0.000 0.484 285 G N 2.212 111.041 108.800 0.049 0.000 2.212 285 G HA2 -0.210 3.750 3.960 0.000 0.000 0.255 285 G HA3 -0.210 3.750 3.960 0.000 0.000 0.255 285 G C -0.232 174.695 174.900 0.044 0.000 1.062 285 G CA -0.133 44.991 45.100 0.039 0.000 0.815 285 G HN 0.402 nan 8.290 nan 0.000 0.497 286 L N -0.668 120.582 121.223 0.045 0.000 2.375 286 L HA 0.533 4.874 4.340 0.000 0.000 0.268 286 L C 1.090 177.981 176.870 0.035 0.000 1.058 286 L CA -1.129 53.736 54.840 0.042 0.000 0.803 286 L CB 1.105 43.187 42.059 0.039 0.000 1.212 286 L HN 0.183 nan 8.230 nan 0.000 0.451 287 K N 1.010 121.430 120.400 0.033 0.000 2.472 287 K HA 0.102 4.423 4.320 0.000 0.000 0.280 287 K C -0.794 175.821 176.600 0.026 0.000 1.028 287 K CA -0.356 55.948 56.287 0.029 0.000 1.045 287 K CB 0.575 33.092 32.500 0.029 0.000 0.902 287 K HN 0.333 nan 8.250 nan 0.000 0.478 288 V N 5.251 125.180 119.914 0.025 0.000 2.403 288 V HA 0.043 4.163 4.120 0.000 0.000 0.265 288 V C -0.146 175.962 176.094 0.024 0.000 1.034 288 V CA 0.261 62.575 62.300 0.024 0.000 1.036 288 V CB 0.318 32.155 31.823 0.023 0.000 1.032 288 V HN 0.829 nan 8.190 nan 0.000 0.478 289 D N 3.225 123.640 120.400 0.025 0.000 2.861 289 D HA 0.208 4.848 4.640 0.000 0.000 0.216 289 D C 0.098 176.423 176.300 0.042 0.000 1.323 289 D CA -0.536 53.483 54.000 0.032 0.000 0.917 289 D CB 1.958 42.778 40.800 0.033 0.000 1.582 289 D HN 0.543 nan 8.370 nan 0.000 0.576 290 D N 2.278 122.709 120.400 0.052 0.000 2.339 290 D HA -0.020 4.620 4.640 0.000 0.000 0.217 290 D C 0.702 177.092 176.300 0.149 0.000 1.050 290 D CA 0.138 54.184 54.000 0.077 0.000 0.856 290 D CB 0.380 41.204 40.800 0.040 0.000 0.922 290 D HN 0.121 nan 8.370 nan 0.000 0.518 291 K N 0.211 120.697 120.400 0.143 0.000 2.426 291 K HA 0.187 4.507 4.320 0.000 0.000 0.193 291 K C 0.118 176.936 176.600 0.364 0.000 1.028 291 K CA -0.066 56.348 56.287 0.212 0.000 1.047 291 K CB 1.149 33.724 32.500 0.126 0.000 0.821 291 K HN 0.115 nan 8.250 nan 0.000 0.513 292 V N 4.212 124.238 119.914 0.187 0.000 2.495 292 V HA 0.243 4.363 4.120 0.000 0.000 0.298 292 V C -2.449 173.365 176.094 -0.466 0.000 1.031 292 V CA -2.297 59.973 62.300 -0.050 0.000 0.871 292 V CB 2.313 34.130 31.823 -0.011 0.000 0.988 292 V HN -0.008 nan 8.190 nan 0.000 0.432 293 P HA 0.188 nan 4.420 nan 0.000 0.276 293 P C -0.978 175.922 177.300 -0.667 0.000 1.235 293 P CA -0.363 61.834 63.100 -1.506 0.000 0.772 293 P CB 1.292 31.838 31.700 -1.924 0.000 0.871 294 L N 5.463 126.357 121.223 -0.549 0.000 2.265 294 L HA 0.467 4.808 4.340 0.000 0.000 0.289 294 L C -1.020 175.686 176.870 -0.274 0.000 1.033 294 L CA -0.697 54.000 54.840 -0.238 0.000 0.814 294 L CB -0.397 41.575 42.059 -0.145 0.000 1.203 294 L HN 0.150 nan 8.230 nan 0.000 0.423 295 F N 3.981 123.825 119.950 -0.176 0.000 2.397 295 F HA 0.770 5.298 4.527 0.000 0.000 0.331 295 F C 0.650 176.389 175.800 -0.102 0.000 1.090 295 F CA -0.212 57.711 58.000 -0.130 0.000 1.065 295 F CB 1.661 40.582 39.000 -0.132 0.000 1.184 295 F HN 0.645 nan 8.300 nan 0.000 0.499 296 A N 1.653 124.519 122.820 0.078 0.000 2.498 296 A HA 0.847 5.167 4.320 0.000 0.000 0.298 296 A C -1.681 175.882 177.584 -0.034 0.000 1.075 296 A CA -0.702 51.328 52.037 -0.012 0.000 0.714 296 A CB 1.651 20.614 19.000 -0.062 0.000 1.299 296 A HN 0.498 nan 8.150 nan 0.000 0.407 297 V N 1.380 121.239 119.914 -0.091 0.000 2.531 297 V HA 0.562 4.682 4.120 0.000 0.000 0.301 297 V C -0.853 175.163 176.094 -0.129 0.000 1.034 297 V CA -0.464 61.765 62.300 -0.117 0.000 0.865 297 V CB 1.774 33.486 31.823 -0.186 0.000 0.995 297 V HN 0.713 nan 8.190 nan 0.000 0.424 298 V N 3.626 123.470 119.914 -0.116 0.000 2.398 298 V HA 0.711 4.831 4.120 0.000 0.000 0.282 298 V C -0.270 175.771 176.094 -0.088 0.000 1.014 298 V CA -0.107 62.127 62.300 -0.109 0.000 0.838 298 V CB 1.346 33.099 31.823 -0.117 0.000 1.018 298 V HN 0.868 nan 8.190 nan 0.000 0.432 299 S N 4.447 120.110 115.700 -0.062 0.000 2.543 299 S HA 0.534 5.004 4.470 0.000 0.000 0.273 299 S C -0.526 174.085 174.600 0.019 0.000 1.152 299 S CA -0.877 57.304 58.200 -0.031 0.000 0.910 299 S CB 1.506 64.680 63.200 -0.044 0.000 1.105 299 S HN 0.712 nan 8.310 nan 0.000 0.465 300 R N 2.032 122.566 120.500 0.056 0.000 2.538 300 R HA 0.123 4.463 4.340 0.000 0.000 0.282 300 R C -0.735 175.609 176.300 0.073 0.000 1.009 300 R CA -0.072 56.083 56.100 0.092 0.000 1.063 300 R CB 0.004 30.368 30.300 0.107 0.000 0.945 300 R HN 0.347 nan 8.270 nan 0.000 0.414 301 L N 3.940 125.216 121.223 0.088 0.000 2.328 301 L HA 0.186 4.526 4.340 0.000 0.000 0.280 301 L C 0.364 177.289 176.870 0.091 0.000 1.111 301 L CA 0.485 55.383 54.840 0.098 0.000 0.909 301 L CB 0.351 42.486 42.059 0.126 0.000 1.277 301 L HN 0.761 nan 8.230 nan 0.000 0.433 302 T N -2.696 111.909 114.554 0.085 0.000 2.865 302 T HA 0.382 4.732 4.350 0.000 0.000 0.294 302 T C 1.109 175.856 174.700 0.079 0.000 1.119 302 T CA -0.078 62.075 62.100 0.089 0.000 1.007 302 T CB 1.310 70.251 68.868 0.121 0.000 1.225 302 T HN 0.280 nan 8.240 nan 0.000 0.515 303 S N 0.224 115.976 115.700 0.087 0.000 2.370 303 S HA -0.290 4.180 4.470 0.000 0.000 0.226 303 S C 1.938 176.596 174.600 0.097 0.000 1.033 303 S CA 1.452 59.708 58.200 0.093 0.000 1.011 303 S CB -0.998 62.261 63.200 0.097 0.000 0.852 303 S HN 0.847 nan 8.310 nan 0.000 0.457 304 Q N 1.150 120.994 119.800 0.073 0.000 2.242 304 Q HA -0.233 4.107 4.340 0.000 0.000 0.211 304 Q C 1.180 177.103 176.000 -0.128 0.000 0.992 304 Q CA 1.499 57.233 55.803 -0.114 0.000 0.889 304 Q CB -0.082 28.369 28.738 -0.478 0.000 0.913 304 Q HN 0.404 nan 8.270 nan 0.000 0.422 305 K N -1.244 119.133 120.400 -0.040 0.000 2.393 305 K HA 0.097 4.418 4.320 0.000 0.000 0.193 305 K C 1.027 177.656 176.600 0.049 0.000 1.026 305 K CA 0.792 57.066 56.287 -0.023 0.000 1.064 305 K CB 0.474 32.970 32.500 -0.006 0.000 0.833 305 K HN 0.398 nan 8.250 nan 0.000 0.521 306 G N 2.113 110.964 108.800 0.085 0.000 2.198 306 G HA2 -0.267 3.694 3.960 0.000 0.000 0.260 306 G HA3 -0.267 3.694 3.960 0.000 0.000 0.260 306 G C 0.709 175.690 174.900 0.135 0.000 1.025 306 G CA 0.458 45.634 45.100 0.127 0.000 0.769 306 G HN 0.319 nan 8.290 nan 0.000 0.507 307 L N 0.380 121.689 121.223 0.144 0.000 2.395 307 L HA 0.065 4.405 4.340 0.000 0.000 0.218 307 L C 2.677 179.672 176.870 0.209 0.000 1.130 307 L CA 1.055 56.029 54.840 0.224 0.000 0.826 307 L CB -0.346 41.886 42.059 0.289 0.000 0.941 307 L HN 0.435 nan 8.230 nan 0.000 0.451 308 D N 0.947 121.412 120.400 0.108 0.000 2.149 308 D HA -0.238 4.402 4.640 0.000 0.000 0.198 308 D C 2.094 178.409 176.300 0.024 0.000 0.990 308 D CA 1.316 55.331 54.000 0.026 0.000 0.839 308 D CB -0.543 40.273 40.800 0.026 0.000 0.948 308 D HN 0.338 nan 8.370 nan 0.000 0.460 309 L N 0.311 121.569 121.223 0.059 0.000 2.141 309 L HA -0.112 4.228 4.340 0.000 0.000 0.209 309 L C 2.769 179.646 176.870 0.010 0.000 1.094 309 L CA 0.545 55.405 54.840 0.033 0.000 0.763 309 L CB -0.323 41.767 42.059 0.052 0.000 0.908 309 L HN -0.035 nan 8.230 nan 0.000 0.437 310 V N 0.118 120.074 119.914 0.070 0.000 2.343 310 V HA -0.284 3.837 4.120 0.000 0.000 0.247 310 V C 2.443 178.584 176.094 0.077 0.000 1.051 310 V CA 1.540 63.894 62.300 0.091 0.000 1.036 310 V CB -0.298 31.652 31.823 0.212 0.000 0.654 310 V HN 0.321 nan 8.190 nan 0.000 0.451 311 L N -0.246 120.995 121.223 0.029 0.000 2.012 311 L HA -0.244 4.096 4.340 0.000 0.000 0.210 311 L C 2.657 179.481 176.870 -0.076 0.000 1.073 311 L CA 1.933 56.694 54.840 -0.131 0.000 0.748 311 L CB -0.537 41.314 42.059 -0.348 0.000 0.891 311 L HN 0.407 nan 8.230 nan 0.000 0.431 312 E N -0.427 119.740 120.200 -0.056 0.000 2.153 312 E HA -0.213 4.138 4.350 0.000 0.000 0.194 312 E C 1.995 178.564 176.600 -0.051 0.000 0.988 312 E CA 1.126 57.501 56.400 -0.042 0.000 0.811 312 E CB -0.148 29.538 29.700 -0.023 0.000 0.746 312 E HN 0.529 nan 8.360 nan 0.000 0.466 313 A N 0.695 123.473 122.820 -0.070 0.000 2.218 313 A HA 0.008 4.328 4.320 0.000 0.000 0.209 313 A C 1.927 179.431 177.584 -0.134 0.000 1.168 313 A CA 0.021 51.992 52.037 -0.110 0.000 0.804 313 A CB -0.101 18.809 19.000 -0.150 0.000 0.834 313 A HN 0.129 nan 8.150 nan 0.000 0.482 314 L N 0.878 122.036 121.223 -0.108 0.000 2.013 314 L HA -0.073 4.268 4.340 0.000 0.000 0.212 314 L C -0.767 175.971 176.870 -0.219 0.000 1.073 314 L CA 2.444 57.197 54.840 -0.145 0.000 0.753 314 L CB -1.367 40.645 42.059 -0.077 0.000 0.890 314 L HN 0.148 nan 8.230 nan 0.000 0.432 315 P HA -0.123 nan 4.420 nan 0.000 0.216 315 P C 1.654 178.844 177.300 -0.183 0.000 1.153 315 P CA 1.865 64.856 63.100 -0.182 0.000 0.858 315 P CB -0.407 31.253 31.700 -0.066 0.000 0.789 316 G N -0.206 108.498 108.800 -0.160 0.000 2.418 316 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 316 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 316 G C 1.539 176.299 174.900 -0.233 0.000 1.158 316 G CA 0.554 45.548 45.100 -0.177 0.000 0.771 316 G HN 0.275 nan 8.290 nan 0.000 0.545 317 L N -0.035 121.042 121.223 -0.244 0.000 2.027 317 L HA 0.089 4.430 4.340 0.000 0.000 0.206 317 L C 2.802 179.537 176.870 -0.224 0.000 1.074 317 L CA 0.931 55.616 54.840 -0.259 0.000 0.745 317 L CB -0.152 41.679 42.059 -0.379 0.000 0.898 317 L HN 0.190 nan 8.230 nan 0.000 0.433 318 L N -0.323 120.748 121.223 -0.254 0.000 2.046 318 L HA -0.234 4.106 4.340 0.000 0.000 0.208 318 L C 2.555 179.304 176.870 -0.202 0.000 1.077 318 L CA 1.651 56.347 54.840 -0.240 0.000 0.747 318 L CB -0.679 41.140 42.059 -0.400 0.000 0.896 318 L HN 0.421 nan 8.230 nan 0.000 0.432 319 E N 0.258 120.329 120.200 -0.216 0.000 2.153 319 E HA -0.250 4.100 4.350 0.000 0.000 0.194 319 E C 2.027 178.477 176.600 -0.249 0.000 0.988 319 E CA 1.065 57.353 56.400 -0.186 0.000 0.811 319 E CB 0.108 29.712 29.700 -0.160 0.000 0.746 319 E HN 0.563 nan 8.360 nan 0.000 0.466 320 Q N -1.226 118.331 119.800 -0.405 0.000 2.432 320 Q HA 0.071 4.411 4.340 0.000 0.000 0.205 320 Q C 0.904 176.580 176.000 -0.540 0.000 0.945 320 Q CA 0.588 55.973 55.803 -0.697 0.000 0.924 320 Q CB 0.853 28.721 28.738 -1.450 0.000 1.016 320 Q HN 0.449 nan 8.270 nan 0.000 0.503 321 G N 0.192 108.861 108.800 -0.218 0.000 2.148 321 G HA2 -0.149 3.811 3.960 0.000 0.000 0.157 321 G HA3 -0.149 3.811 3.960 0.000 0.000 0.157 321 G C 0.155 175.154 174.900 0.164 0.000 1.012 321 G CA -0.495 44.606 45.100 0.001 0.000 0.677 321 G HN 0.459 nan 8.290 nan 0.000 0.506 322 G N -0.629 108.330 108.800 0.265 0.000 2.476 322 G HA2 0.605 4.566 3.960 0.000 0.000 0.286 322 G HA3 0.605 4.566 3.960 0.000 0.000 0.286 322 G C -0.054 174.896 174.900 0.084 0.000 1.177 322 G CA -0.329 44.934 45.100 0.273 0.000 0.870 322 G HN 0.423 nan 8.290 nan 0.000 0.528 323 Q N -1.098 118.754 119.800 0.086 0.000 2.204 323 Q HA 0.618 4.959 4.340 0.000 0.000 0.254 323 Q C -1.167 174.881 176.000 0.080 0.000 0.981 323 Q CA -0.768 55.062 55.803 0.045 0.000 0.897 323 Q CB 2.560 31.310 28.738 0.019 0.000 1.273 323 Q HN 0.375 nan 8.270 nan 0.000 0.464 324 L N 0.495 121.739 121.223 0.035 0.000 2.385 324 L HA 0.759 5.100 4.340 0.000 0.000 0.273 324 L C -1.762 175.122 176.870 0.024 0.000 0.990 324 L CA -0.338 54.524 54.840 0.038 0.000 0.821 324 L CB 1.931 43.990 42.059 0.001 0.000 1.279 324 L HN 0.694 nan 8.230 nan 0.000 0.412 325 A N 5.911 128.735 122.820 0.007 0.000 2.311 325 A HA 0.715 5.036 4.320 0.000 0.000 0.306 325 A C -1.533 176.015 177.584 -0.060 0.000 1.189 325 A CA -0.428 51.602 52.037 -0.010 0.000 0.791 325 A CB 0.893 19.882 19.000 -0.019 0.000 1.172 325 A HN 0.811 nan 8.150 nan 0.000 0.481 326 L N 3.325 124.507 121.223 -0.068 0.000 2.362 326 L HA 0.836 5.176 4.340 0.000 0.000 0.275 326 L C -1.552 175.277 176.870 -0.069 0.000 0.998 326 L CA -1.006 53.743 54.840 -0.151 0.000 0.820 326 L CB 1.807 43.656 42.059 -0.351 0.000 1.270 326 L HN 0.701 nan 8.230 nan 0.000 0.415 327 L N 4.998 126.175 121.223 -0.077 0.000 2.381 327 L HA 1.030 5.370 4.340 0.000 0.000 0.274 327 L C -0.599 176.247 176.870 -0.040 0.000 0.988 327 L CA 0.200 55.038 54.840 -0.003 0.000 0.824 327 L CB 1.711 43.793 42.059 0.039 0.000 1.263 327 L HN 0.659 nan 8.230 nan 0.000 0.410 328 G N 3.001 111.802 108.800 0.001 0.000 2.411 328 G HA2 0.742 4.702 3.960 0.000 0.000 0.295 328 G HA3 0.742 4.702 3.960 0.000 0.000 0.295 328 G C -2.246 172.700 174.900 0.076 0.000 1.542 328 G CA -0.142 44.971 45.100 0.022 0.000 0.814 328 G HN 1.027 nan 8.290 nan 0.000 0.557 329 A N -0.569 122.318 122.820 0.111 0.000 2.422 329 A HA 1.057 5.377 4.320 0.000 0.000 0.302 329 A C 0.476 178.128 177.584 0.113 0.000 1.041 329 A CA 0.468 52.578 52.037 0.123 0.000 0.708 329 A CB 1.672 20.767 19.000 0.159 0.000 1.257 329 A HN 2.516 nan 8.150 nan 0.000 0.414 330 G N 0.824 109.677 108.800 0.088 0.000 2.445 330 G HA2 0.291 4.251 3.960 0.000 0.000 0.104 330 G HA3 0.291 4.251 3.960 0.000 0.000 0.104 330 G C -1.406 173.516 174.900 0.037 0.000 0.958 330 G CA -0.246 44.892 45.100 0.064 0.000 1.324 330 G HN 0.603 nan 8.290 nan 0.000 0.549 331 D N 3.019 123.450 120.400 0.051 0.000 2.348 331 D HA 0.390 5.030 4.640 0.000 0.000 0.253 331 D C -1.204 175.123 176.300 0.045 0.000 1.161 331 D CA -1.594 52.428 54.000 0.036 0.000 0.876 331 D CB 2.099 42.926 40.800 0.045 0.000 1.160 331 D HN 0.006 nan 8.370 nan 0.000 0.459 332 P HA -0.137 nan 4.420 nan 0.000 0.218 332 P C 1.426 178.742 177.300 0.027 0.000 1.149 332 P CA 0.549 63.665 63.100 0.026 0.000 0.817 332 P CB 0.353 32.058 31.700 0.008 0.000 0.785 333 V N 0.384 120.309 119.914 0.018 0.000 2.287 333 V HA -0.246 3.874 4.120 0.000 0.000 0.248 333 V C 2.788 178.882 176.094 -0.000 0.000 1.053 333 V CA 1.726 64.029 62.300 0.005 0.000 1.027 333 V CB -1.442 30.383 31.823 0.004 0.000 0.646 333 V HN 0.021 nan 8.190 nan 0.000 0.447 334 L N -0.662 120.581 121.223 0.034 0.000 2.005 334 L HA -0.199 4.142 4.340 0.000 0.000 0.207 334 L C 2.823 179.777 176.870 0.139 0.000 1.072 334 L CA 1.680 56.560 54.840 0.068 0.000 0.744 334 L CB -0.710 41.448 42.059 0.164 0.000 0.895 334 L HN 0.340 nan 8.230 nan 0.000 0.433 335 Q N 0.052 119.943 119.800 0.152 0.000 2.062 335 Q HA -0.295 4.046 4.340 0.000 0.000 0.209 335 Q C 2.097 178.172 176.000 0.125 0.000 0.996 335 Q CA 2.131 58.031 55.803 0.161 0.000 0.859 335 Q CB -0.285 28.516 28.738 0.105 0.000 0.920 335 Q HN 0.552 nan 8.270 nan 0.000 0.415 336 E N -0.015 120.223 120.200 0.062 0.000 2.077 336 E HA -0.159 4.191 4.350 0.000 0.000 0.193 336 E C 2.122 178.726 176.600 0.007 0.000 0.989 336 E CA 0.805 57.225 56.400 0.034 0.000 0.800 336 E CB -0.317 29.392 29.700 0.014 0.000 0.746 336 E HN 0.500 nan 8.360 nan 0.000 0.452 337 G N 0.984 109.752 108.800 -0.053 0.000 2.529 337 G HA2 -0.277 3.684 3.960 0.000 0.000 0.219 337 G HA3 -0.277 3.684 3.960 0.000 0.000 0.219 337 G C 1.240 176.027 174.900 -0.187 0.000 1.177 337 G CA 0.935 45.927 45.100 -0.180 0.000 0.773 337 G HN 0.134 nan 8.290 nan 0.000 0.573 338 F N 0.502 120.474 119.950 0.036 0.000 2.163 338 F HA 0.187 4.714 4.527 0.001 0.000 0.297 338 F C 2.678 178.507 175.800 0.048 0.000 1.094 338 F CA 0.413 58.439 58.000 0.044 0.000 1.290 338 F CB -0.531 38.494 39.000 0.041 0.000 1.017 338 F HN 0.005 nan 8.300 nan 0.000 0.483 339 L N -0.365 120.982 121.223 0.206 0.000 2.043 339 L HA -0.280 4.060 4.340 0.000 0.000 0.212 339 L C 2.730 179.654 176.870 0.089 0.000 1.075 339 L CA 1.286 56.203 54.840 0.127 0.000 0.752 339 L CB -1.045 41.069 42.059 0.091 0.000 0.891 339 L HN 0.166 nan 8.230 nan 0.000 0.432 340 A N -0.025 122.831 122.820 0.060 0.000 1.883 340 A HA -0.245 4.075 4.320 0.000 0.000 0.217 340 A C 2.520 180.129 177.584 0.041 0.000 1.186 340 A CA 2.010 54.062 52.037 0.025 0.000 0.624 340 A CB -0.820 18.177 19.000 -0.005 0.000 0.822 340 A HN 0.435 nan 8.150 nan 0.000 0.444 341 A N -0.389 122.489 122.820 0.097 0.000 1.933 341 A HA 0.167 4.488 4.320 0.000 0.000 0.218 341 A C 2.480 180.205 177.584 0.235 0.000 1.175 341 A CA 2.095 54.252 52.037 0.200 0.000 0.628 341 A CB -0.929 18.215 19.000 0.241 0.000 0.814 341 A HN 1.084 nan 8.150 nan 0.000 0.444 342 A N -0.215 122.712 122.820 0.179 0.000 1.930 342 A HA 0.223 4.543 4.320 0.000 0.000 0.217 342 A C 2.485 180.124 177.584 0.092 0.000 1.175 342 A CA 1.869 53.994 52.037 0.147 0.000 0.627 342 A CB -0.932 18.142 19.000 0.123 0.000 0.815 342 A HN 0.985 nan 8.150 nan 0.000 0.443 343 A N -0.304 122.548 122.820 0.053 0.000 1.877 343 A HA -0.201 4.119 4.320 0.000 0.000 0.216 343 A C 2.037 179.592 177.584 -0.048 0.000 1.186 343 A CA 1.820 53.861 52.037 0.006 0.000 0.620 343 A CB -0.591 18.407 19.000 -0.004 0.000 0.822 343 A HN 0.634 nan 8.150 nan 0.000 0.443 344 E N -1.649 118.484 120.200 -0.112 0.000 2.110 344 E HA -0.163 4.188 4.350 0.000 0.000 0.193 344 E C -0.233 176.099 176.600 -0.446 0.000 0.988 344 E CA 0.930 57.124 56.400 -0.344 0.000 0.804 344 E CB -0.063 29.318 29.700 -0.533 0.000 0.745 344 E HN 0.748 nan 8.360 nan 0.000 0.458 345 Y N 0.684 120.994 120.300 0.016 0.000 2.553 345 Y HA 0.312 4.862 4.550 0.000 0.000 0.369 345 Y C -2.274 173.638 175.900 0.020 0.000 0.964 345 Y CA -2.615 55.494 58.100 0.015 0.000 1.156 345 Y CB 0.694 39.162 38.460 0.014 0.000 1.218 345 Y HN 0.044 nan 8.280 nan 0.000 0.630 346 P HA 0.065 nan 4.420 nan 0.000 0.269 346 P C 1.096 178.448 177.300 0.086 0.000 1.209 346 P CA 1.319 64.470 63.100 0.084 0.000 0.776 346 P CB 1.396 33.123 31.700 0.046 0.000 0.876 347 G N 2.255 111.098 108.800 0.071 0.000 2.234 347 G HA2 -0.306 3.654 3.960 0.000 0.000 0.260 347 G HA3 -0.306 3.654 3.960 0.000 0.000 0.260 347 G C 0.817 175.753 174.900 0.060 0.000 0.987 347 G CA 0.525 45.660 45.100 0.059 0.000 0.625 347 G HN 0.576 nan 8.290 nan 0.000 0.532 348 Q N -1.342 118.505 119.800 0.079 0.000 2.404 348 Q HA 0.420 4.761 4.340 0.000 0.000 0.262 348 Q C 0.245 176.275 176.000 0.050 0.000 0.846 348 Q CA 0.660 56.496 55.803 0.054 0.000 0.978 348 Q CB 1.713 30.477 28.738 0.045 0.000 1.156 348 Q HN 0.396 nan 8.270 nan 0.000 0.548 349 V N 1.083 121.053 119.914 0.093 0.000 2.407 349 V HA 0.616 4.736 4.120 0.000 0.000 0.291 349 V C -0.205 175.947 176.094 0.096 0.000 1.018 349 V CA -0.762 61.596 62.300 0.097 0.000 0.842 349 V CB 1.366 33.284 31.823 0.157 0.000 0.996 349 V HN 0.207 nan 8.190 nan 0.000 0.426 350 G N 3.558 112.404 108.800 0.076 0.000 2.416 350 G HA2 0.665 4.626 3.960 0.000 0.000 0.324 350 G HA3 0.665 4.626 3.960 0.000 0.000 0.324 350 G C -1.216 173.729 174.900 0.074 0.000 1.194 350 G CA -0.456 44.691 45.100 0.078 0.000 0.922 350 G HN 0.533 nan 8.290 nan 0.000 0.467 351 V N 1.588 121.550 119.914 0.081 0.000 2.789 351 V HA 0.606 4.726 4.120 0.000 0.000 0.311 351 V C -0.744 175.397 176.094 0.077 0.000 1.073 351 V CA -0.787 61.555 62.300 0.071 0.000 0.921 351 V CB 2.159 34.042 31.823 0.100 0.000 1.009 351 V HN 0.739 nan 8.190 nan 0.000 0.426 352 Q N 3.490 123.338 119.800 0.081 0.000 2.295 352 Q HA 0.515 4.855 4.340 0.000 0.000 0.259 352 Q C -1.482 174.567 176.000 0.081 0.000 0.966 352 Q CA -0.292 55.559 55.803 0.080 0.000 0.763 352 Q CB 1.385 30.191 28.738 0.113 0.000 1.283 352 Q HN 0.601 nan 8.270 nan 0.000 0.445 353 I N 3.345 123.961 120.570 0.077 0.000 2.371 353 I HA 0.835 5.005 4.170 0.000 0.000 0.290 353 I C 0.859 177.034 176.117 0.097 0.000 1.028 353 I CA 0.372 61.723 61.300 0.085 0.000 1.345 353 I CB 0.320 38.371 38.000 0.086 0.000 1.407 353 I HN 0.751 nan 8.210 nan 0.000 0.501 354 G N 5.897 114.767 108.800 0.116 0.000 2.361 354 G HA2 -0.026 3.934 3.960 0.000 0.000 0.331 354 G HA3 -0.026 3.934 3.960 0.000 0.000 0.331 354 G C -2.038 172.979 174.900 0.194 0.000 1.324 354 G CA -0.900 44.290 45.100 0.151 0.000 0.984 354 G HN 0.413 nan 8.290 nan 0.000 0.586 355 Y N 1.639 122.007 120.300 0.113 0.000 2.385 355 Y HA 0.678 5.228 4.550 0.000 0.000 0.341 355 Y C -0.090 175.910 175.900 0.166 0.000 0.965 355 Y CA -0.565 57.614 58.100 0.131 0.000 1.180 355 Y CB 0.991 39.506 38.460 0.093 0.000 1.139 355 Y HN 0.678 nan 8.280 nan 0.000 0.502 356 H N 5.554 124.548 119.070 -0.127 0.000 2.991 356 H HA 0.180 4.736 4.556 0.000 0.000 0.304 356 H C 0.516 175.842 175.328 -0.003 0.000 1.040 356 H CA -0.297 55.775 56.048 0.041 0.000 1.410 356 H CB 1.317 31.155 29.762 0.128 0.000 1.529 356 H HN 0.888 nan 8.280 nan 0.000 0.509 357 E N 3.818 124.138 120.200 0.200 0.000 2.058 357 E HA -0.109 4.241 4.350 0.000 0.000 0.194 357 E C 1.822 178.636 176.600 0.357 0.000 0.997 357 E CA 1.919 58.480 56.400 0.268 0.000 0.801 357 E CB 0.142 30.047 29.700 0.342 0.000 0.746 357 E HN 0.702 nan 8.360 nan 0.000 0.450 358 A N -0.417 122.661 122.820 0.430 0.000 1.929 358 A HA -0.085 4.235 4.320 0.000 0.000 0.216 358 A C 2.106 179.882 177.584 0.320 0.000 1.176 358 A CA 1.090 53.312 52.037 0.309 0.000 0.628 358 A CB -0.813 18.361 19.000 0.289 0.000 0.816 358 A HN 0.415 nan 8.150 nan 0.000 0.444 359 F N 2.231 122.242 119.950 0.102 0.000 2.171 359 F HA -0.189 4.338 4.527 0.000 0.000 0.300 359 F C 2.761 178.563 175.800 0.003 0.000 1.090 359 F CA 1.433 59.343 58.000 -0.148 0.000 1.293 359 F CB -0.481 38.238 39.000 -0.469 0.000 1.013 359 F HN 0.348 nan 8.300 nan 0.000 0.486 360 S N -1.118 114.610 115.700 0.048 0.000 2.400 360 S HA -0.249 4.222 4.470 0.000 0.000 0.232 360 S C 2.079 176.657 174.600 -0.038 0.000 1.025 360 S CA 1.483 59.659 58.200 -0.039 0.000 0.993 360 S CB -1.138 62.113 63.200 0.085 0.000 0.808 360 S HN 0.566 nan 8.310 nan 0.000 0.478 361 H N 1.510 120.543 119.070 -0.062 0.000 2.326 361 H HA 0.086 4.643 4.556 0.001 0.000 0.301 361 H C 2.550 177.822 175.328 -0.093 0.000 1.081 361 H CA 1.650 57.619 56.048 -0.132 0.000 1.334 361 H CB -0.099 29.523 29.762 -0.234 0.000 1.385 361 H HN 0.432 nan 8.280 nan 0.000 0.504 362 R N 0.216 120.725 120.500 0.015 0.000 2.120 362 R HA -0.068 4.272 4.340 0.000 0.000 0.234 362 R C 2.454 178.652 176.300 -0.170 0.000 1.123 362 R CA 0.862 56.941 56.100 -0.034 0.000 0.975 362 R CB -0.050 30.262 30.300 0.020 0.000 0.866 362 R HN 0.269 nan 8.270 nan 0.000 0.446 363 I N -0.034 120.315 120.570 -0.367 0.000 2.163 363 I HA -0.279 3.891 4.170 0.000 0.000 0.240 363 I C 2.377 178.401 176.117 -0.154 0.000 1.081 363 I CA 0.971 62.074 61.300 -0.329 0.000 1.353 363 I CB -0.112 37.629 38.000 -0.433 0.000 1.054 363 I HN 0.128 nan 8.210 nan 0.000 0.407 364 M N 0.978 120.483 119.600 -0.158 0.000 2.106 364 M HA -0.146 4.334 4.480 0.000 0.000 0.259 364 M C 1.989 178.301 176.300 0.021 0.000 1.068 364 M CA 2.016 57.214 55.300 -0.169 0.000 1.100 364 M CB -0.953 31.395 32.600 -0.421 0.000 1.351 364 M HN 0.222 nan 8.290 nan 0.000 0.404 365 G N -2.145 106.734 108.800 0.132 0.000 2.598 365 G HA2 0.114 4.074 3.960 0.000 0.000 0.215 365 G HA3 0.114 4.074 3.960 0.000 0.000 0.215 365 G C 1.296 176.346 174.900 0.251 0.000 1.131 365 G CA 0.612 45.965 45.100 0.421 0.000 0.785 365 G HN 0.631 nan 8.290 nan 0.000 0.539 366 G N -0.265 108.597 108.800 0.102 0.000 2.739 366 G HA2 0.464 4.424 3.960 0.000 0.000 0.200 366 G HA3 0.464 4.424 3.960 0.000 0.000 0.200 366 G C 0.795 175.703 174.900 0.013 0.000 1.069 366 G CA 0.761 45.887 45.100 0.043 0.000 0.768 366 G HN 0.585 nan 8.290 nan 0.000 0.565 367 A N 0.692 123.510 122.820 -0.002 0.000 2.406 367 A HA 0.447 4.767 4.320 0.000 0.000 0.243 367 A C 0.795 178.384 177.584 0.009 0.000 1.082 367 A CA 0.215 52.233 52.037 -0.030 0.000 0.786 367 A CB 0.424 19.391 19.000 -0.055 0.000 1.029 367 A HN 0.153 nan 8.150 nan 0.000 0.495 368 D N -0.541 119.827 120.400 -0.054 0.000 2.338 368 D HA 0.159 4.800 4.640 0.000 0.000 0.208 368 D C -0.185 176.190 176.300 0.125 0.000 0.997 368 D CA 1.113 55.153 54.000 0.068 0.000 0.880 368 D CB 0.491 41.200 40.800 -0.150 0.000 0.980 368 D HN 0.203 nan 8.370 nan 0.000 0.509 369 V N 1.464 121.315 119.914 -0.107 0.000 2.808 369 V HA 0.323 4.443 4.120 0.000 0.000 0.308 369 V C -0.858 175.215 176.094 -0.034 0.000 1.099 369 V CA -0.978 61.274 62.300 -0.081 0.000 0.920 369 V CB 2.922 34.519 31.823 -0.376 0.000 1.014 369 V HN -0.119 nan 8.190 nan 0.000 0.425 370 I N 4.967 125.551 120.570 0.023 0.000 2.339 370 I HA 0.517 4.687 4.170 0.000 0.000 0.290 370 I C -0.658 175.491 176.117 0.052 0.000 0.994 370 I CA -0.088 61.218 61.300 0.010 0.000 1.191 370 I CB 1.045 39.023 38.000 -0.036 0.000 1.343 370 I HN 0.549 nan 8.210 nan 0.000 0.458 371 L N 7.825 129.089 121.223 0.068 0.000 2.278 371 L HA 0.415 4.755 4.340 0.000 0.000 0.287 371 L C -0.607 176.295 176.870 0.055 0.000 1.072 371 L CA -0.547 54.354 54.840 0.100 0.000 0.819 371 L CB 1.007 43.129 42.059 0.104 0.000 1.176 371 L HN 0.379 nan 8.230 nan 0.000 0.435 372 V N 4.510 124.468 119.914 0.074 0.000 2.384 372 V HA 0.202 4.322 4.120 0.000 0.000 0.257 372 V C -1.937 174.208 176.094 0.086 0.000 0.969 372 V CA -0.754 61.562 62.300 0.028 0.000 0.910 372 V CB 0.843 32.634 31.823 -0.053 0.000 1.150 372 V HN 0.630 nan 8.190 nan 0.000 0.481 373 P HA 0.165 nan 4.420 nan 0.000 0.235 373 P C 0.373 177.783 177.300 0.184 0.000 1.725 373 P CA 0.076 63.372 63.100 0.327 0.000 0.894 373 P CB 0.102 32.020 31.700 0.364 0.000 1.704 374 S N 0.644 116.371 115.700 0.045 0.000 2.560 374 S HA 0.123 4.593 4.470 0.000 0.000 0.284 374 S C 1.649 176.281 174.600 0.052 0.000 1.327 374 S CA -0.247 57.951 58.200 -0.004 0.000 1.055 374 S CB 0.919 64.055 63.200 -0.107 0.000 0.868 374 S HN 0.248 nan 8.310 nan 0.000 0.506 375 R N 0.592 121.153 120.500 0.102 0.000 2.090 375 R HA 0.069 4.409 4.340 0.000 0.000 0.228 375 R C 0.227 176.782 176.300 0.426 0.000 1.110 375 R CA 0.974 57.219 56.100 0.241 0.000 0.973 375 R CB -0.041 30.429 30.300 0.283 0.000 0.869 375 R HN 0.735 nan 8.270 nan 0.000 0.440 376 F N -2.925 117.133 119.950 0.181 0.000 2.626 376 F HA 0.745 5.272 4.527 0.001 0.000 0.311 376 F C -1.433 174.375 175.800 0.013 0.000 1.088 376 F CA -1.551 56.575 58.000 0.209 0.000 0.949 376 F CB 1.733 41.000 39.000 0.445 0.000 1.322 376 F HN -0.247 nan 8.300 nan 0.000 0.461 377 A N 2.994 125.762 122.820 -0.086 0.000 2.872 377 A HA 0.581 4.901 4.320 0.000 0.000 0.305 377 A C -2.615 174.699 177.584 -0.451 0.000 1.171 377 A CA -1.385 50.477 52.037 -0.291 0.000 0.782 377 A CB 0.489 19.359 19.000 -0.217 0.000 1.329 377 A HN 0.507 nan 8.150 nan 0.000 0.432 378 P HA -0.167 nan 4.420 nan 0.000 0.216 378 P C 1.218 178.252 177.300 -0.444 0.000 1.157 378 P CA 2.069 64.504 63.100 -1.108 0.000 0.880 378 P CB 0.429 31.714 31.700 -0.691 0.000 0.791 379 C N -4.294 114.829 119.300 -0.295 0.000 3.095 379 C HA 0.656 5.116 4.460 0.000 0.000 0.350 379 C C 0.280 175.115 174.990 -0.257 0.000 2.039 379 C CA 1.069 59.952 59.018 -0.224 0.000 1.926 379 C CB 0.429 28.073 27.740 -0.161 0.000 1.978 379 C HN 0.473 nan 8.230 nan 0.000 0.639 380 G N 1.260 109.906 108.800 -0.256 0.000 3.209 380 G HA2 -0.052 3.908 3.960 0.000 0.000 0.686 380 G HA3 -0.052 3.908 3.960 0.000 0.000 0.686 380 G C -0.364 174.288 174.900 -0.414 0.000 1.065 380 G CA 0.023 44.941 45.100 -0.303 0.000 0.812 380 G HN 0.678 nan 8.290 nan 0.000 0.573 381 L N 1.570 122.479 121.223 -0.523 0.000 2.577 381 L HA 0.112 4.452 4.340 0.000 0.000 0.225 381 L C 3.092 179.186 176.870 -1.294 0.000 1.053 381 L CA 1.106 55.418 54.840 -0.880 0.000 0.866 381 L CB -0.309 41.253 42.059 -0.829 0.000 1.132 381 L HN 0.884 nan 8.230 nan 0.000 0.486 382 T N -1.722 112.295 114.554 -0.896 0.000 2.803 382 T HA -0.249 4.101 4.350 0.000 0.000 0.269 382 T C 1.827 176.221 174.700 -0.510 0.000 1.052 382 T CA 1.438 63.105 62.100 -0.721 0.000 1.136 382 T CB -0.257 68.382 68.868 -0.382 0.000 0.864 382 T HN 0.365 nan 8.240 nan 0.000 0.467 383 Q N 1.615 121.154 119.800 -0.435 0.000 2.172 383 Q HA 0.017 4.357 4.340 0.000 0.000 0.200 383 Q C 2.346 178.152 176.000 -0.324 0.000 0.964 383 Q CA 1.137 56.759 55.803 -0.302 0.000 0.855 383 Q CB -0.830 27.761 28.738 -0.245 0.000 0.918 383 Q HN 0.594 nan 8.270 nan 0.000 0.444 384 L N -0.091 120.829 121.223 -0.505 0.000 2.046 384 L HA -0.166 4.174 4.340 0.000 0.000 0.208 384 L C 2.547 179.323 176.870 -0.157 0.000 1.077 384 L CA 1.340 55.886 54.840 -0.490 0.000 0.747 384 L CB -0.793 40.822 42.059 -0.740 0.000 0.896 384 L HN 0.103 nan 8.230 nan 0.000 0.432 385 Y N 0.415 120.523 120.300 -0.320 0.000 2.181 385 Y HA -0.097 4.454 4.550 0.001 0.000 0.288 385 Y C 2.643 178.504 175.900 -0.066 0.000 1.146 385 Y CA 0.655 58.589 58.100 -0.277 0.000 1.164 385 Y CB -1.629 36.357 38.460 -0.791 0.000 0.982 385 Y HN 0.085 nan 8.280 nan 0.000 0.515 386 G N 0.247 109.053 108.800 0.011 0.000 2.446 386 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 386 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 386 G C 1.831 176.802 174.900 0.118 0.000 1.168 386 G CA 1.090 46.221 45.100 0.053 0.000 0.771 386 G HN 0.354 nan 8.290 nan 0.000 0.551 387 L N 0.197 121.458 121.223 0.064 0.000 1.990 387 L HA -0.160 4.180 4.340 0.000 0.000 0.213 387 L C 2.788 179.744 176.870 0.145 0.000 1.072 387 L CA 1.891 56.781 54.840 0.082 0.000 0.755 387 L CB -0.386 41.735 42.059 0.103 0.000 0.889 387 L HN 0.215 nan 8.230 nan 0.000 0.432 388 K N -0.312 120.218 120.400 0.215 0.000 2.152 388 K HA -0.201 4.119 4.320 0.000 0.000 0.206 388 K C 1.696 178.381 176.600 0.140 0.000 1.048 388 K CA 1.632 58.035 56.287 0.193 0.000 0.933 388 K CB -0.309 32.350 32.500 0.266 0.000 0.721 388 K HN 0.305 nan 8.250 nan 0.000 0.447 389 Y N -0.645 119.729 120.300 0.125 0.000 2.466 389 Y HA 0.187 4.737 4.550 0.000 0.000 0.272 389 Y C 1.153 177.227 175.900 0.289 0.000 1.169 389 Y CA 0.212 58.431 58.100 0.198 0.000 1.285 389 Y CB 0.679 39.267 38.460 0.213 0.000 1.078 389 Y HN 0.278 nan 8.280 nan 0.000 0.523 390 G N 0.899 109.866 108.800 0.277 0.000 2.221 390 G HA2 -0.282 3.679 3.960 0.000 0.000 0.265 390 G HA3 -0.282 3.679 3.960 0.000 0.000 0.265 390 G C -0.041 174.979 174.900 0.199 0.000 1.041 390 G CA 0.567 45.786 45.100 0.197 0.000 0.807 390 G HN 0.266 nan 8.290 nan 0.000 0.502 391 T N 1.615 116.285 114.554 0.194 0.000 2.929 391 T HA 0.500 4.851 4.350 0.000 0.000 0.331 391 T C 0.898 175.643 174.700 0.076 0.000 1.120 391 T CA -0.509 61.684 62.100 0.155 0.000 0.973 391 T CB 0.675 69.628 68.868 0.141 0.000 1.036 391 T HN 0.355 nan 8.240 nan 0.000 0.502 392 L N 6.338 127.592 121.223 0.051 0.000 2.584 392 L HA 0.194 4.534 4.340 0.000 0.000 0.272 392 L C -1.800 175.090 176.870 0.034 0.000 1.195 392 L CA -1.558 53.249 54.840 -0.055 0.000 0.920 392 L CB -0.091 41.840 42.059 -0.214 0.000 1.173 392 L HN 0.260 nan 8.230 nan 0.000 0.489 393 P HA 0.165 nan 4.420 nan 0.000 0.286 393 P C -0.853 176.528 177.300 0.135 0.000 1.269 393 P CA -0.381 62.737 63.100 0.030 0.000 0.787 393 P CB 1.485 33.157 31.700 -0.046 0.000 0.920 394 L N 5.296 126.647 121.223 0.214 0.000 2.276 394 L HA 0.491 4.831 4.340 0.000 0.000 0.286 394 L C -0.325 176.689 176.870 0.240 0.000 1.024 394 L CA -0.736 54.291 54.840 0.310 0.000 0.826 394 L CB 0.898 43.148 42.059 0.319 0.000 1.211 394 L HN 0.221 nan 8.230 nan 0.000 0.422 395 V N 1.870 121.900 119.914 0.194 0.000 3.040 395 V HA 0.608 4.729 4.120 0.000 0.000 0.312 395 V C -0.406 175.577 176.094 -0.185 0.000 1.115 395 V CA -1.099 61.234 62.300 0.055 0.000 0.998 395 V CB 1.843 33.637 31.823 -0.047 0.000 1.042 395 V HN 0.805 nan 8.190 nan 0.000 0.433 396 R N 1.267 121.489 120.500 -0.463 0.000 2.441 396 R HA 0.371 4.712 4.340 0.000 0.000 0.284 396 R C 0.268 176.333 176.300 -0.392 0.000 1.070 396 R CA -0.574 54.996 56.100 -0.884 0.000 1.047 396 R CB 0.706 30.586 30.300 -0.701 0.000 1.016 396 R HN 0.855 nan 8.270 nan 0.000 0.477 397 R N 2.591 122.898 120.500 -0.322 0.000 2.605 397 R HA 0.017 4.358 4.340 0.000 0.000 0.271 397 R C -0.999 175.241 176.300 -0.100 0.000 1.418 397 R CA 0.522 56.528 56.100 -0.156 0.000 1.102 397 R CB 0.030 30.272 30.300 -0.097 0.000 1.131 397 R HN 0.492 nan 8.270 nan 0.000 0.554 398 T N 1.486 115.981 114.554 -0.098 0.000 2.942 398 T HA 0.469 4.819 4.350 0.000 0.000 0.327 398 T C 0.322 174.960 174.700 -0.104 0.000 1.360 398 T CA 0.384 62.445 62.100 -0.064 0.000 1.055 398 T CB 1.249 70.139 68.868 0.037 0.000 1.261 398 T HN 0.747 nan 8.240 nan 0.000 0.485 399 G N 2.946 111.664 108.800 -0.137 0.000 2.652 399 G HA2 -0.256 3.704 3.960 0.000 0.000 0.318 399 G HA3 -0.256 3.704 3.960 0.000 0.000 0.318 399 G C 1.300 176.132 174.900 -0.114 0.000 1.295 399 G CA 0.831 45.865 45.100 -0.110 0.000 0.999 399 G HN 1.694 nan 8.290 nan 0.000 0.548 400 G N -0.484 108.228 108.800 -0.148 0.000 2.484 400 G HA2 0.186 4.146 3.960 0.000 0.000 0.218 400 G HA3 0.186 4.146 3.960 0.000 0.000 0.218 400 G C 1.904 176.704 174.900 -0.167 0.000 1.130 400 G CA 1.186 46.193 45.100 -0.154 0.000 0.784 400 G HN 0.668 nan 8.290 nan 0.000 0.543 401 L N 0.561 121.684 121.223 -0.168 0.000 2.079 401 L HA -0.121 4.220 4.340 0.000 0.000 0.210 401 L C 3.305 180.102 176.870 -0.122 0.000 1.081 401 L CA 1.203 55.950 54.840 -0.156 0.000 0.752 401 L CB -0.466 41.503 42.059 -0.150 0.000 0.896 401 L HN 0.305 nan 8.230 nan 0.000 0.433 402 A N -0.564 122.191 122.820 -0.107 0.000 2.014 402 A HA -0.167 4.154 4.320 0.000 0.000 0.218 402 A C 1.851 179.395 177.584 -0.067 0.000 1.163 402 A CA 1.465 53.453 52.037 -0.082 0.000 0.652 402 A CB -0.310 18.646 19.000 -0.075 0.000 0.808 402 A HN 0.346 nan 8.150 nan 0.000 0.449 403 D N -0.750 119.607 120.400 -0.071 0.000 2.317 403 D HA -0.056 4.585 4.640 0.000 0.000 0.211 403 D C 1.763 178.051 176.300 -0.021 0.000 0.966 403 D CA 1.805 55.777 54.000 -0.047 0.000 0.876 403 D CB 0.058 40.829 40.800 -0.049 0.000 0.927 403 D HN 0.652 nan 8.370 nan 0.000 0.519 404 T N -3.158 111.368 114.554 -0.046 0.000 2.958 404 T HA 0.224 4.574 4.350 0.000 0.000 0.256 404 T C 0.591 175.294 174.700 0.005 0.000 0.983 404 T CA -0.235 61.867 62.100 0.002 0.000 0.924 404 T CB 0.554 69.322 68.868 -0.168 0.000 1.136 404 T HN -0.215 nan 8.240 nan 0.000 0.506 405 V N 2.229 122.112 119.914 -0.052 0.000 2.513 405 V HA 0.646 4.766 4.120 0.000 0.000 0.299 405 V C -0.470 175.583 176.094 -0.069 0.000 1.035 405 V CA -0.752 61.508 62.300 -0.067 0.000 0.889 405 V CB 1.797 33.568 31.823 -0.088 0.000 0.988 405 V HN 0.362 nan 8.190 nan 0.000 0.440 406 S N 2.673 118.320 115.700 -0.088 0.000 2.456 406 S HA 0.331 4.801 4.470 0.000 0.000 0.316 406 S C -0.458 174.071 174.600 -0.118 0.000 1.089 406 S CA -0.541 57.607 58.200 -0.087 0.000 1.101 406 S CB 1.189 64.341 63.200 -0.080 0.000 0.995 406 S HN 0.898 nan 8.310 nan 0.000 0.468 407 D N 1.369 121.722 120.400 -0.078 0.000 2.400 407 D HA 0.005 4.646 4.640 0.000 0.000 0.238 407 D C 0.495 176.745 176.300 -0.084 0.000 1.157 407 D CA -0.492 53.467 54.000 -0.068 0.000 0.889 407 D CB 0.479 41.283 40.800 0.008 0.000 1.199 407 D HN 0.661 nan 8.370 nan 0.000 0.436 408 C N 2.757 121.995 119.300 -0.103 0.000 3.247 408 C HA 0.499 4.959 4.460 0.000 0.000 0.573 408 C C 0.784 175.792 174.990 0.030 0.000 1.106 408 C CA -1.025 57.957 59.018 -0.060 0.000 1.209 408 C CB -2.440 25.240 27.740 -0.100 0.000 1.460 408 C HN 0.409 nan 8.230 nan 0.000 0.634 409 S N 0.906 116.621 115.700 0.025 0.000 2.614 409 S HA 0.450 4.921 4.470 0.000 0.000 0.265 409 S C 1.008 175.632 174.600 0.040 0.000 1.303 409 S CA -0.727 57.498 58.200 0.042 0.000 1.000 409 S CB 0.757 63.977 63.200 0.034 0.000 0.935 409 S HN 0.585 nan 8.310 nan 0.000 0.551 410 L N 0.622 121.870 121.223 0.042 0.000 2.042 410 L HA -0.184 4.157 4.340 0.000 0.000 0.210 410 L C 2.641 179.529 176.870 0.031 0.000 1.076 410 L CA 1.824 56.686 54.840 0.036 0.000 0.749 410 L CB -0.927 41.151 42.059 0.032 0.000 0.893 410 L HN 0.728 nan 8.230 nan 0.000 0.432 411 E N -0.081 120.135 120.200 0.027 0.000 2.051 411 E HA -0.180 4.170 4.350 0.000 0.000 0.192 411 E C 1.883 178.498 176.600 0.025 0.000 0.991 411 E CA 1.141 57.554 56.400 0.022 0.000 0.799 411 E CB -0.381 29.329 29.700 0.016 0.000 0.748 411 E HN 0.374 nan 8.360 nan 0.000 0.449 412 N N 0.292 119.004 118.700 0.021 0.000 2.244 412 N HA -0.063 4.677 4.740 0.000 0.000 0.183 412 N C 1.724 177.264 175.510 0.049 0.000 1.016 412 N CA 0.760 53.818 53.050 0.014 0.000 0.866 412 N CB -0.150 38.330 38.487 -0.012 0.000 0.980 412 N HN 0.166 nan 8.380 nan 0.000 0.430 413 L N 0.330 121.596 121.223 0.073 0.000 2.056 413 L HA -0.036 4.304 4.340 0.000 0.000 0.207 413 L C 2.325 179.287 176.870 0.154 0.000 1.078 413 L CA 1.066 56.000 54.840 0.155 0.000 0.749 413 L CB -0.424 41.698 42.059 0.105 0.000 0.901 413 L HN 0.100 nan 8.230 nan 0.000 0.433 414 A N -0.376 122.487 122.820 0.072 0.000 1.930 414 A HA -0.195 4.125 4.320 0.000 0.000 0.217 414 A C 1.690 179.313 177.584 0.064 0.000 1.175 414 A CA 1.807 53.871 52.037 0.046 0.000 0.627 414 A CB -0.403 18.610 19.000 0.022 0.000 0.815 414 A HN 0.348 nan 8.150 nan 0.000 0.443 415 D N -1.047 119.390 120.400 0.061 0.000 2.349 415 D HA 0.259 4.899 4.640 0.000 0.000 0.224 415 D C 1.294 177.632 176.300 0.063 0.000 1.029 415 D CA 1.020 55.048 54.000 0.046 0.000 0.879 415 D CB -0.157 40.654 40.800 0.019 0.000 0.906 415 D HN 0.580 nan 8.370 nan 0.000 0.528 416 G N 0.399 109.278 108.800 0.133 0.000 2.176 416 G HA2 -0.281 3.679 3.960 0.000 0.000 0.252 416 G HA3 -0.281 3.679 3.960 0.000 0.000 0.252 416 G C 0.844 175.697 174.900 -0.080 0.000 1.024 416 G CA 0.376 45.542 45.100 0.110 0.000 0.755 416 G HN 0.367 nan 8.290 nan 0.000 0.507 417 V N -0.284 119.597 119.914 -0.055 0.000 3.604 417 V HA 0.570 4.690 4.120 0.000 0.000 0.277 417 V C 1.812 177.836 176.094 -0.117 0.000 1.399 417 V CA 0.958 63.204 62.300 -0.091 0.000 1.034 417 V CB 0.370 32.161 31.823 -0.053 0.000 0.824 417 V HN 1.159 nan 8.190 nan 0.000 0.439 418 A N 0.705 123.460 122.820 -0.108 0.000 2.520 418 A HA 0.405 4.725 4.320 0.000 0.000 0.245 418 A C 1.123 178.569 177.584 -0.229 0.000 1.072 418 A CA 0.899 52.850 52.037 -0.142 0.000 0.761 418 A CB 0.225 19.169 19.000 -0.093 0.000 1.004 418 A HN 0.687 nan 8.150 nan 0.000 0.499 419 S N 0.938 116.486 115.700 -0.253 0.000 2.744 419 S HA 0.549 5.019 4.470 0.000 0.000 0.265 419 S C 0.627 175.008 174.600 -0.366 0.000 1.065 419 S CA 0.563 58.597 58.200 -0.276 0.000 1.191 419 S CB -0.146 62.947 63.200 -0.178 0.000 1.150 419 S HN 2.099 nan 8.310 nan 0.000 0.646 420 G N 0.520 109.032 108.800 -0.480 0.000 2.435 420 G HA2 0.526 4.486 3.960 0.000 0.000 0.296 420 G HA3 0.526 4.486 3.960 0.000 0.000 0.296 420 G C -2.156 172.275 174.900 -0.782 0.000 1.240 420 G CA -0.804 43.889 45.100 -0.678 0.000 0.872 420 G HN 0.199 nan 8.290 nan 0.000 0.480 421 F N -0.123 119.807 119.950 -0.034 0.000 2.520 421 F HA 0.709 5.237 4.527 0.000 0.000 0.322 421 F C 0.020 175.857 175.800 0.061 0.000 1.103 421 F CA -0.945 57.069 58.000 0.023 0.000 0.926 421 F CB 2.694 41.728 39.000 0.056 0.000 1.154 421 F HN 0.257 nan 8.300 nan 0.000 0.453 422 V N 3.793 123.847 119.914 0.233 0.000 2.656 422 V HA 0.556 4.676 4.120 0.000 0.000 0.307 422 V C -0.667 175.559 176.094 0.220 0.000 1.051 422 V CA -0.967 61.420 62.300 0.145 0.000 0.893 422 V CB 1.806 33.649 31.823 0.033 0.000 0.999 422 V HN 0.629 nan 8.190 nan 0.000 0.426 423 F N 1.363 121.353 119.950 0.068 0.000 2.598 423 F HA 0.770 5.297 4.527 0.000 0.000 0.327 423 F C 0.714 176.555 175.800 0.069 0.000 1.057 423 F CA -0.750 57.285 58.000 0.058 0.000 0.957 423 F CB 1.615 40.638 39.000 0.038 0.000 1.278 423 F HN 0.346 nan 8.300 nan 0.000 0.484 424 E N 0.081 120.368 120.200 0.144 0.000 2.162 424 E HA 0.084 4.434 4.350 0.000 0.000 0.193 424 E C -0.570 176.081 176.600 0.085 0.000 0.953 424 E CA 0.631 57.059 56.400 0.047 0.000 0.849 424 E CB 0.030 29.799 29.700 0.114 0.000 0.810 424 E HN 0.623 nan 8.360 nan 0.000 0.470 425 D N 0.703 121.277 120.400 0.291 0.000 2.185 425 D HA 0.197 4.838 4.640 0.000 0.000 0.247 425 D C -0.476 176.064 176.300 0.400 0.000 1.027 425 D CA -0.330 53.837 54.000 0.278 0.000 0.861 425 D CB 1.686 42.642 40.800 0.261 0.000 1.202 425 D HN -0.281 nan 8.370 nan 0.000 0.453 426 S N 1.696 117.565 115.700 0.282 0.000 4.053 426 S HA 0.106 4.576 4.470 0.000 0.000 0.184 426 S C 0.096 174.835 174.600 0.232 0.000 1.324 426 S CA -0.426 57.951 58.200 0.295 0.000 0.956 426 S CB -1.128 62.191 63.200 0.199 0.000 1.503 426 S HN 0.468 nan 8.310 nan 0.000 0.440 427 N N -1.093 117.752 118.700 0.242 0.000 2.610 427 N HA 0.608 5.348 4.740 0.000 0.000 0.264 427 N C 0.350 175.913 175.510 0.089 0.000 1.348 427 N CA -0.638 52.505 53.050 0.156 0.000 0.819 427 N CB 0.565 39.148 38.487 0.161 0.000 1.521 427 N HN -0.072 nan 8.380 nan 0.000 0.497 428 A N -0.270 122.585 122.820 0.059 0.000 1.969 428 A HA -0.082 4.238 4.320 0.000 0.000 0.218 428 A C 1.574 179.146 177.584 -0.019 0.000 1.169 428 A CA 1.050 53.075 52.037 -0.019 0.000 0.635 428 A CB -1.160 17.839 19.000 -0.001 0.000 0.810 428 A HN 0.816 nan 8.150 nan 0.000 0.445 429 W N 0.451 121.708 121.300 -0.070 0.000 2.381 429 W HA -0.126 4.534 4.660 0.001 0.000 0.301 429 W C 2.589 179.067 176.519 -0.069 0.000 1.205 429 W CA 1.761 59.071 57.345 -0.058 0.000 1.285 429 W CB -0.319 29.129 29.460 -0.021 0.000 1.133 429 W HN 0.253 nan 8.180 nan 0.000 0.521 430 S N 0.409 116.189 115.700 0.134 0.000 2.351 430 S HA -0.251 4.220 4.470 0.000 0.000 0.220 430 S C 1.875 176.222 174.600 -0.423 0.000 1.035 430 S CA 1.690 59.887 58.200 -0.004 0.000 1.031 430 S CB -1.037 62.362 63.200 0.332 0.000 0.928 430 S HN 0.298 nan 8.310 nan 0.000 0.433 431 L N 1.797 122.546 121.223 -0.790 0.000 1.997 431 L HA -0.126 4.215 4.340 0.000 0.000 0.216 431 L C 2.113 178.648 176.870 -0.559 0.000 1.074 431 L CA 1.859 56.055 54.840 -1.073 0.000 0.763 431 L CB -0.845 40.741 42.059 -0.789 0.000 0.890 431 L HN 0.396 nan 8.230 nan 0.000 0.434 432 L N -1.195 119.767 121.223 -0.436 0.000 2.131 432 L HA -0.185 4.155 4.340 0.000 0.000 0.210 432 L C 2.732 179.381 176.870 -0.369 0.000 1.092 432 L CA 0.690 55.314 54.840 -0.360 0.000 0.759 432 L CB -0.505 41.362 42.059 -0.321 0.000 0.903 432 L HN 0.252 nan 8.230 nan 0.000 0.435 433 R N 0.030 120.226 120.500 -0.507 0.000 2.073 433 R HA -0.098 4.242 4.340 0.000 0.000 0.234 433 R C 2.310 178.499 176.300 -0.185 0.000 1.134 433 R CA 1.500 57.355 56.100 -0.408 0.000 0.952 433 R CB -1.199 28.758 30.300 -0.571 0.000 0.850 433 R HN 0.351 nan 8.270 nan 0.000 0.433 434 A N 1.205 123.941 122.820 -0.139 0.000 1.908 434 A HA -0.125 4.195 4.320 0.000 0.000 0.218 434 A C 2.355 179.873 177.584 -0.110 0.000 1.181 434 A CA 1.376 53.404 52.037 -0.015 0.000 0.627 434 A CB -0.573 18.498 19.000 0.119 0.000 0.818 434 A HN 0.231 nan 8.150 nan 0.000 0.445 435 I N -1.323 119.168 120.570 -0.132 0.000 2.226 435 I HA -0.245 3.925 4.170 0.000 0.000 0.245 435 I C 2.790 178.962 176.117 0.091 0.000 1.100 435 I CA 1.167 62.430 61.300 -0.063 0.000 1.374 435 I CB -0.391 37.533 38.000 -0.126 0.000 1.057 435 I HN 0.277 nan 8.210 nan 0.000 0.413 436 R N 0.990 121.512 120.500 0.037 0.000 2.081 436 R HA -0.163 4.177 4.340 0.000 0.000 0.235 436 R C 2.370 178.743 176.300 0.122 0.000 1.131 436 R CA 1.430 57.592 56.100 0.102 0.000 0.960 436 R CB -0.463 29.823 30.300 -0.023 0.000 0.856 436 R HN 0.321 nan 8.270 nan 0.000 0.436 437 R N 0.003 120.525 120.500 0.038 0.000 2.091 437 R HA -0.147 4.193 4.340 0.000 0.000 0.238 437 R C 2.105 178.429 176.300 0.038 0.000 1.136 437 R CA 1.768 57.921 56.100 0.089 0.000 0.959 437 R CB -0.268 30.122 30.300 0.151 0.000 0.856 437 R HN 0.234 nan 8.270 nan 0.000 0.437 438 A N 0.178 122.782 122.820 -0.361 0.000 1.877 438 A HA -0.160 4.160 4.320 0.000 0.000 0.216 438 A C 2.003 179.627 177.584 0.067 0.000 1.186 438 A CA 1.359 53.068 52.037 -0.546 0.000 0.620 438 A CB -0.791 17.683 19.000 -0.877 0.000 0.822 438 A HN 0.398 nan 8.150 nan 0.000 0.443 439 F N -0.129 119.883 119.950 0.103 0.000 2.171 439 F HA -0.177 4.350 4.527 0.000 0.000 0.300 439 F C 2.441 178.372 175.800 0.220 0.000 1.090 439 F CA 1.569 59.663 58.000 0.156 0.000 1.293 439 F CB -0.392 38.646 39.000 0.064 0.000 1.013 439 F HN 0.038 nan 8.300 nan 0.000 0.486 440 V N -0.225 119.897 119.914 0.346 0.000 2.295 440 V HA -0.288 3.832 4.120 0.000 0.000 0.246 440 V C 2.266 178.553 176.094 0.322 0.000 1.049 440 V CA 1.610 64.077 62.300 0.278 0.000 1.024 440 V CB -0.702 31.244 31.823 0.205 0.000 0.648 440 V HN 0.258 nan 8.190 nan 0.000 0.447 441 L N -0.431 121.045 121.223 0.422 0.000 2.083 441 L HA -0.174 4.167 4.340 0.000 0.000 0.209 441 L C 2.157 179.416 176.870 0.649 0.000 1.083 441 L CA 1.913 57.075 54.840 0.536 0.000 0.752 441 L CB -0.646 41.809 42.059 0.661 0.000 0.899 441 L HN 0.557 nan 8.230 nan 0.000 0.433 442 W N -0.175 121.350 121.300 0.374 0.000 2.392 442 W HA -0.180 4.480 4.660 -0.000 0.000 0.279 442 W C 2.237 178.747 176.519 -0.015 0.000 1.225 442 W CA 1.429 58.743 57.345 -0.051 0.000 1.233 442 W CB -0.189 29.049 29.460 -0.371 0.000 1.122 442 W HN 0.513 nan 8.180 nan 0.000 0.561 443 S N 0.839 116.651 115.700 0.187 0.000 2.607 443 S HA 0.064 4.534 4.470 0.000 0.000 0.224 443 S C 0.695 175.309 174.600 0.023 0.000 0.969 443 S CA 0.136 58.383 58.200 0.077 0.000 0.927 443 S CB -0.283 63.005 63.200 0.147 0.000 0.772 443 S HN 0.140 nan 8.310 nan 0.000 0.533 444 R N 1.051 121.584 120.500 0.055 0.000 2.587 444 R HA 0.301 4.641 4.340 0.000 0.000 0.283 444 R C -2.649 173.671 176.300 0.033 0.000 1.472 444 R CA -1.802 54.324 56.100 0.043 0.000 1.578 444 R CB 0.572 30.925 30.300 0.089 0.000 1.130 444 R HN 0.207 nan 8.270 nan 0.000 0.602 445 P HA -0.237 nan 4.420 nan 0.000 0.217 445 P C 1.499 178.810 177.300 0.019 0.000 1.151 445 P CA 1.638 64.659 63.100 -0.131 0.000 0.849 445 P CB 0.279 31.845 31.700 -0.223 0.000 0.787 446 S N -1.360 114.352 115.700 0.020 0.000 2.402 446 S HA -0.082 4.388 4.470 0.000 0.000 0.229 446 S C 1.989 176.654 174.600 0.109 0.000 1.021 446 S CA 0.742 58.972 58.200 0.050 0.000 0.974 446 S CB -1.471 61.733 63.200 0.007 0.000 0.800 446 S HN 0.060 nan 8.310 nan 0.000 0.484 447 L N -0.135 121.155 121.223 0.111 0.000 2.072 447 L HA -0.024 4.316 4.340 0.000 0.000 0.205 447 L C 2.668 179.685 176.870 0.246 0.000 1.079 447 L CA 1.420 56.351 54.840 0.153 0.000 0.752 447 L CB -0.443 41.686 42.059 0.117 0.000 0.906 447 L HN 0.554 nan 8.230 nan 0.000 0.436 448 W N 1.290 122.629 121.300 0.065 0.000 2.318 448 W HA -0.316 4.345 4.660 0.000 0.000 0.313 448 W C 2.635 179.188 176.519 0.056 0.000 1.221 448 W CA 1.954 59.337 57.345 0.064 0.000 1.266 448 W CB -0.232 29.220 29.460 -0.013 0.000 1.150 448 W HN 0.151 nan 8.180 nan 0.000 0.496 449 R N 0.381 121.066 120.500 0.308 0.000 2.092 449 R HA -0.204 4.136 4.340 0.000 0.000 0.231 449 R C 2.312 178.696 176.300 0.139 0.000 1.119 449 R CA 1.941 58.164 56.100 0.204 0.000 0.970 449 R CB -1.898 28.492 30.300 0.150 0.000 0.864 449 R HN 0.184 nan 8.270 nan 0.000 0.440 450 F N -0.102 119.849 119.950 0.001 0.000 2.171 450 F HA -0.130 4.397 4.527 0.000 0.000 0.300 450 F C 1.701 177.452 175.800 -0.081 0.000 1.090 450 F CA 1.513 59.494 58.000 -0.032 0.000 1.293 450 F CB -0.162 38.824 39.000 -0.024 0.000 1.013 450 F HN -0.110 nan 8.300 nan 0.000 0.486 451 V N 0.305 120.157 119.914 -0.102 0.000 2.453 451 V HA -0.257 3.863 4.120 0.000 0.000 0.247 451 V C 2.255 178.158 176.094 -0.318 0.000 1.048 451 V CA 1.923 64.039 62.300 -0.306 0.000 1.049 451 V CB -0.822 30.794 31.823 -0.345 0.000 0.672 451 V HN 0.364 nan 8.190 nan 0.000 0.457 452 Q N -0.024 119.629 119.800 -0.245 0.000 2.061 452 Q HA -0.210 4.131 4.340 0.000 0.000 0.204 452 Q C 2.517 178.455 176.000 -0.104 0.000 0.984 452 Q CA 1.706 57.426 55.803 -0.138 0.000 0.846 452 Q CB -0.246 28.493 28.738 0.002 0.000 0.902 452 Q HN 0.576 nan 8.270 nan 0.000 0.421 453 R N 0.194 120.626 120.500 -0.112 0.000 2.120 453 R HA -0.181 4.159 4.340 0.000 0.000 0.234 453 R C 2.277 178.471 176.300 -0.178 0.000 1.123 453 R CA 1.377 57.410 56.100 -0.111 0.000 0.975 453 R CB -0.136 30.109 30.300 -0.092 0.000 0.866 453 R HN 0.200 nan 8.270 nan 0.000 0.446 454 Q N 0.819 120.447 119.800 -0.286 0.000 2.083 454 Q HA -0.016 4.325 4.340 0.000 0.000 0.198 454 Q C 1.968 177.850 176.000 -0.196 0.000 0.969 454 Q CA 1.734 57.362 55.803 -0.292 0.000 0.838 454 Q CB -0.206 28.278 28.738 -0.423 0.000 0.900 454 Q HN 0.274 nan 8.270 nan 0.000 0.436 455 A N 0.477 123.188 122.820 -0.181 0.000 1.917 455 A HA -0.223 4.097 4.320 0.000 0.000 0.219 455 A C 2.077 179.631 177.584 -0.049 0.000 1.182 455 A CA 2.048 54.019 52.037 -0.109 0.000 0.633 455 A CB -0.663 18.269 19.000 -0.115 0.000 0.819 455 A HN 0.543 nan 8.150 nan 0.000 0.448 456 M N -0.792 118.779 119.600 -0.049 0.000 2.562 456 M HA 0.038 4.518 4.480 0.000 0.000 0.257 456 M C 2.095 178.363 176.300 -0.054 0.000 1.099 456 M CA 0.796 56.084 55.300 -0.021 0.000 1.099 456 M CB -0.091 32.508 32.600 -0.001 0.000 1.427 456 M HN 0.469 nan 8.290 nan 0.000 0.489 457 A N -0.061 122.704 122.820 -0.091 0.000 2.123 457 A HA 0.125 4.445 4.320 0.000 0.000 0.214 457 A C 1.096 178.591 177.584 -0.148 0.000 1.152 457 A CA 0.366 52.336 52.037 -0.112 0.000 0.728 457 A CB -0.085 18.839 19.000 -0.127 0.000 0.814 457 A HN 0.254 nan 8.150 nan 0.000 0.464 458 M N 0.983 120.490 119.600 -0.155 0.000 2.239 458 M HA 0.192 4.672 4.480 0.000 0.000 0.348 458 M C -0.798 175.250 176.300 -0.420 0.000 1.239 458 M CA 0.021 55.147 55.300 -0.289 0.000 1.114 458 M CB -0.111 32.388 32.600 -0.168 0.000 1.641 458 M HN 0.222 nan 8.290 nan 0.000 0.453 459 D N 2.501 122.486 120.400 -0.691 0.000 2.391 459 D HA 0.534 5.174 4.640 0.000 0.000 0.245 459 D C -1.686 174.071 176.300 -0.905 0.000 1.069 459 D CA -0.192 53.470 54.000 -0.563 0.000 0.831 459 D CB 0.735 41.349 40.800 -0.311 0.000 1.204 459 D HN 0.336 nan 8.370 nan 0.000 0.503 460 F N 2.200 122.088 119.950 -0.102 0.000 2.552 460 F HA 0.280 4.807 4.527 0.000 0.000 0.369 460 F C 0.219 175.896 175.800 -0.205 0.000 1.112 460 F CA -0.897 56.999 58.000 -0.174 0.000 1.129 460 F CB 1.657 40.534 39.000 -0.206 0.000 1.360 460 F HN 0.140 nan 8.300 nan 0.000 0.473 461 S N 1.956 117.618 115.700 -0.064 0.000 2.457 461 S HA 0.204 4.674 4.470 0.000 0.000 0.289 461 S C 0.687 175.273 174.600 -0.023 0.000 1.163 461 S CA -0.533 57.656 58.200 -0.018 0.000 1.078 461 S CB 0.651 63.856 63.200 0.009 0.000 0.987 461 S HN 0.705 nan 8.310 nan 0.000 0.482 462 W N 2.710 124.090 121.300 0.133 0.000 2.402 462 W HA -0.060 4.600 4.660 0.000 0.000 0.286 462 W C 2.444 179.046 176.519 0.138 0.000 1.221 462 W CA 0.371 57.803 57.345 0.144 0.000 1.257 462 W CB 0.071 29.614 29.460 0.139 0.000 1.120 462 W HN 0.747 nan 8.180 nan 0.000 0.551 463 Q N -0.342 119.654 119.800 0.328 0.000 2.172 463 Q HA -0.151 4.189 4.340 0.000 0.000 0.200 463 Q C 2.117 178.224 176.000 0.179 0.000 0.964 463 Q CA 1.361 57.305 55.803 0.235 0.000 0.855 463 Q CB -0.378 28.462 28.738 0.170 0.000 0.918 463 Q HN 0.183 nan 8.270 nan 0.000 0.444 464 V N 0.886 120.878 119.914 0.130 0.000 2.343 464 V HA -0.275 3.845 4.120 0.000 0.000 0.247 464 V C 2.240 178.386 176.094 0.088 0.000 1.051 464 V CA 1.889 64.234 62.300 0.074 0.000 1.036 464 V CB -0.855 30.977 31.823 0.016 0.000 0.654 464 V HN 0.376 nan 8.190 nan 0.000 0.451 465 A N 0.010 122.916 122.820 0.143 0.000 1.873 465 A HA -0.085 4.235 4.320 0.000 0.000 0.215 465 A C 2.471 180.232 177.584 0.294 0.000 1.186 465 A CA 1.923 54.067 52.037 0.178 0.000 0.616 465 A CB -0.885 18.297 19.000 0.304 0.000 0.823 465 A HN 0.570 nan 8.150 nan 0.000 0.442 466 A N -0.052 123.013 122.820 0.408 0.000 1.927 466 A HA -0.288 4.033 4.320 0.000 0.000 0.220 466 A C 2.129 179.865 177.584 0.253 0.000 1.185 466 A CA 2.362 54.636 52.037 0.396 0.000 0.639 466 A CB -0.549 18.644 19.000 0.322 0.000 0.820 466 A HN 0.579 nan 8.150 nan 0.000 0.451 467 K N -0.440 120.056 120.400 0.160 0.000 2.097 467 K HA -0.111 4.209 4.320 0.000 0.000 0.206 467 K C 2.235 178.853 176.600 0.031 0.000 1.049 467 K CA 1.539 57.882 56.287 0.093 0.000 0.933 467 K CB -0.150 32.386 32.500 0.060 0.000 0.717 467 K HN 0.482 nan 8.250 nan 0.000 0.442 468 S N -0.092 115.590 115.700 -0.030 0.000 2.355 468 S HA -0.114 4.356 4.470 0.000 0.000 0.222 468 S C 1.696 176.171 174.600 -0.207 0.000 1.031 468 S CA 1.128 59.242 58.200 -0.143 0.000 0.993 468 S CB -0.425 62.632 63.200 -0.238 0.000 0.859 468 S HN 0.351 nan 8.310 nan 0.000 0.453 469 Y N 1.609 121.842 120.300 -0.112 0.000 2.207 469 Y HA -0.163 4.387 4.550 0.000 0.000 0.287 469 Y C 2.716 178.218 175.900 -0.664 0.000 1.156 469 Y CA 1.494 59.359 58.100 -0.391 0.000 1.182 469 Y CB -0.186 38.120 38.460 -0.256 0.000 0.979 469 Y HN 0.132 nan 8.280 nan 0.000 0.521 470 R N 0.859 121.306 120.500 -0.088 0.000 2.081 470 R HA -0.187 4.153 4.340 0.000 0.000 0.235 470 R C 1.870 178.282 176.300 0.186 0.000 1.131 470 R CA 1.940 58.112 56.100 0.120 0.000 0.960 470 R CB -0.205 30.251 30.300 0.260 0.000 0.856 470 R HN 0.381 nan 8.270 nan 0.000 0.436 471 E N 0.652 120.894 120.200 0.070 0.000 2.085 471 E HA -0.238 4.113 4.350 0.000 0.000 0.194 471 E C 2.069 178.697 176.600 0.046 0.000 0.994 471 E CA 1.475 57.914 56.400 0.064 0.000 0.801 471 E CB -0.181 29.516 29.700 -0.005 0.000 0.743 471 E HN 0.361 nan 8.360 nan 0.000 0.453 472 L N 0.094 121.269 121.223 -0.079 0.000 2.017 472 L HA -0.227 4.114 4.340 0.000 0.000 0.208 472 L C 2.200 179.077 176.870 0.012 0.000 1.073 472 L CA 1.276 56.032 54.840 -0.139 0.000 0.745 472 L CB -0.180 41.710 42.059 -0.282 0.000 0.894 472 L HN 0.166 nan 8.230 nan 0.000 0.432 473 Y N -0.909 119.417 120.300 0.044 0.000 2.128 473 Y HA -0.284 4.267 4.550 0.000 0.000 0.284 473 Y C 2.423 178.279 175.900 -0.074 0.000 1.154 473 Y CA 1.242 59.324 58.100 -0.031 0.000 1.149 473 Y CB -1.313 37.117 38.460 -0.051 0.000 0.976 473 Y HN 0.195 nan 8.280 nan 0.000 0.505 474 Y N 0.389 120.794 120.300 0.176 0.000 2.352 474 Y HA -0.154 4.397 4.550 0.000 0.000 0.292 474 Y C 2.289 178.223 175.900 0.057 0.000 1.136 474 Y CA 1.497 59.656 58.100 0.098 0.000 1.227 474 Y CB -0.258 38.249 38.460 0.077 0.000 0.991 474 Y HN 0.129 nan 8.280 nan 0.000 0.545 475 R N -0.206 120.394 120.500 0.168 0.000 2.334 475 R HA 0.189 4.529 4.340 0.000 0.000 0.220 475 R C -0.345 175.995 176.300 0.067 0.000 0.917 475 R CA 0.121 56.279 56.100 0.097 0.000 1.073 475 R CB -0.407 29.928 30.300 0.058 0.000 1.056 475 R HN 0.201 nan 8.270 nan 0.000 0.506 476 L N 0.000 121.262 121.223 0.065 0.000 2.949 476 L HA 0.000 4.340 4.340 0.000 0.000 0.249 476 L CA 0.000 54.869 54.840 0.048 0.000 0.813 476 L CB 0.000 42.089 42.059 0.050 0.000 0.961 476 L HN 0.000 nan 8.230 nan 0.000 0.502