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 1ado_1_D DATA FIRST_RESID 1 DATA SEQUENCE PHSHPALTPE QKKELSDIAH RIVAPGKGIL AADESTGSIA KRLQSIGTEN DATA SEQUENCE TEENRRFYRQ LLLTADDRVN PCIGGVILFH ETLYQKADDG RPFPQVIKSK DATA SEQUENCE GGVVGIKVDK GVVPLAGTNG ETTTQGLDGL SERCAQYKKD GADFAKWRCV DATA SEQUENCE LKIGEHTPSA LAIMENANVL ARYASICQQN GIVPIVEPEI LPDGDHDLKR DATA SEQUENCE CQYVTEKVLA AVYKALSDHH IYLEGTLLKP NMVTPGHACT QKYSHEEIAM DATA SEQUENCE ATVTALRRTV PPAVTGVTFL SGGQSEEEAS INLNAINKCP LLKPWALTFS DATA SEQUENCE YGRALQASAL KAWGGKKENL KAAQEEYVKR ALANSLACQG KYTSSGQAGA DATA SEQUENCE AASESLFISN HAY 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.169 177.300 -0.219 0.000 1.155 1 P CA 0.000 63.070 63.100 -0.050 0.000 0.800 1 P CB 0.000 31.703 31.700 0.005 0.000 0.726 2 H N -0.208 118.846 119.070 -0.027 0.000 2.538 2 H HA 0.366 nan 4.556 nan 0.000 0.353 2 H C -0.598 174.599 175.328 -0.218 0.000 1.109 2 H CA -0.296 55.682 56.048 -0.116 0.000 1.192 2 H CB 2.064 31.763 29.762 -0.105 0.000 1.555 2 H HN 0.077 8.443 8.280 0.145 0.000 0.518 3 S N 1.522 117.090 115.700 -0.220 0.000 2.537 3 S HA 0.091 nan 4.470 nan 0.000 0.275 3 S C -0.575 173.731 174.600 -0.490 0.000 1.272 3 S CA -0.093 57.941 58.200 -0.275 0.000 1.050 3 S CB 0.554 63.647 63.200 -0.180 0.000 0.961 3 S HN 0.245 8.435 8.310 -0.200 0.000 0.496 4 H N 4.813 123.821 119.070 -0.103 0.000 2.651 4 H HA 0.295 nan 4.556 nan 0.000 0.252 4 H C -2.317 172.948 175.328 -0.106 0.000 1.365 4 H CA -1.742 54.259 56.048 -0.079 0.000 1.539 4 H CB 0.052 29.773 29.762 -0.069 0.000 1.621 4 H HN 0.166 8.348 8.280 -0.163 0.000 0.526 5 P HA -0.145 nan 4.420 nan 0.000 0.255 5 P C -0.406 176.878 177.300 -0.026 0.000 1.141 5 P CA 0.493 63.567 63.100 -0.043 0.000 0.767 5 P CB 0.714 32.390 31.700 -0.041 0.000 0.726 6 A N 3.001 125.800 122.820 -0.034 0.000 1.970 6 A HA -0.140 nan 4.320 nan 0.000 0.216 6 A C -1.180 176.387 177.584 -0.028 0.000 1.170 6 A CA 1.151 53.182 52.037 -0.009 0.000 0.645 6 A CB 0.646 19.663 19.000 0.029 0.000 0.816 6 A HN 0.470 8.592 8.150 -0.047 0.000 0.447 7 L N -3.758 117.427 121.223 -0.064 0.000 2.370 7 L HA 0.246 nan 4.340 nan 0.000 0.266 7 L C -0.499 176.303 176.870 -0.113 0.000 1.002 7 L CA -1.342 53.437 54.840 -0.101 0.000 0.818 7 L CB 3.682 45.633 42.059 -0.181 0.000 1.325 7 L HN -0.632 7.535 8.230 -0.071 0.020 0.418 8 T N -2.900 111.597 114.554 -0.096 0.000 2.881 8 T HA 0.541 nan 4.350 nan 0.000 0.278 8 T C -0.725 173.910 174.700 -0.109 0.000 0.982 8 T CA -2.912 59.139 62.100 -0.082 0.000 0.989 8 T CB 0.030 68.867 68.868 -0.052 0.000 1.058 8 T HN 0.387 8.914 8.240 -0.084 -0.338 0.529 9 P HA -0.181 nan 4.420 nan 0.000 0.218 9 P C 1.741 179.001 177.300 -0.067 0.000 1.148 9 P CA 2.851 65.902 63.100 -0.082 0.000 0.822 9 P CB 0.023 31.694 31.700 -0.048 0.000 0.784 10 E N -2.579 117.591 120.200 -0.050 0.000 2.051 10 E HA -0.266 nan 4.350 nan 0.000 0.192 10 E C 2.639 179.219 176.600 -0.033 0.000 0.991 10 E CA 3.637 60.018 56.400 -0.031 0.000 0.799 10 E CB -0.876 28.811 29.700 -0.022 0.000 0.748 10 E HN 0.548 8.863 8.360 -0.048 0.017 0.449 11 Q N -0.905 118.863 119.800 -0.053 0.000 2.119 11 Q HA -0.306 nan 4.340 nan 0.000 0.201 11 Q C 2.545 178.502 176.000 -0.072 0.000 0.972 11 Q CA 3.003 58.776 55.803 -0.051 0.000 0.847 11 Q CB -0.039 28.662 28.738 -0.062 0.000 0.903 11 Q HN -0.581 7.652 8.270 -0.062 0.000 0.433 12 K N -0.261 120.032 120.400 -0.178 0.000 2.002 12 K HA -0.373 nan 4.320 nan 0.000 0.209 12 K C 1.941 178.566 176.600 0.041 0.000 1.048 12 K CA 3.499 59.600 56.287 -0.309 0.000 0.930 12 K CB -0.247 31.897 32.500 -0.593 0.000 0.714 12 K HN -0.041 8.097 8.250 -0.186 0.000 0.438 13 K N -0.773 119.642 120.400 0.024 0.000 2.044 13 K HA -0.410 nan 4.320 nan 0.000 0.210 13 K C 1.786 178.438 176.600 0.088 0.000 1.049 13 K CA 3.515 59.845 56.287 0.071 0.000 0.927 13 K CB -0.146 32.371 32.500 0.029 0.000 0.713 13 K HN -0.170 8.060 8.250 -0.032 0.000 0.443 14 E N -0.793 119.444 120.200 0.062 0.000 2.058 14 E HA -0.300 nan 4.350 nan 0.000 0.194 14 E C 2.428 179.086 176.600 0.097 0.000 0.997 14 E CA 3.086 59.525 56.400 0.065 0.000 0.801 14 E CB -0.168 29.559 29.700 0.045 0.000 0.746 14 E HN -0.658 7.724 8.360 0.035 0.000 0.450 15 L N -1.546 119.755 121.223 0.129 0.000 2.046 15 L HA -0.382 nan 4.340 nan 0.000 0.208 15 L C 2.222 179.192 176.870 0.166 0.000 1.077 15 L CA 2.992 57.927 54.840 0.159 0.000 0.747 15 L CB -0.227 41.973 42.059 0.234 0.000 0.896 15 L HN -0.342 7.958 8.230 0.116 0.000 0.432 16 S N -1.022 114.823 115.700 0.242 0.000 2.368 16 S HA -0.337 nan 4.470 nan 0.000 0.224 16 S C 2.353 177.109 174.600 0.260 0.000 1.029 16 S CA 3.815 62.160 58.200 0.242 0.000 0.988 16 S CB -0.247 63.124 63.200 0.285 0.000 0.838 16 S HN 0.253 8.738 8.310 0.291 0.000 0.462 17 D N 2.525 123.023 120.400 0.162 0.000 2.097 17 D HA -0.273 nan 4.640 nan 0.000 0.195 17 D C 2.372 178.731 176.300 0.099 0.000 0.989 17 D CA 3.477 57.545 54.000 0.113 0.000 0.827 17 D CB -0.295 40.543 40.800 0.064 0.000 0.966 17 D HN 0.119 8.573 8.370 0.140 0.000 0.456 18 I N -0.466 120.150 120.570 0.076 0.000 2.179 18 I HA -0.541 nan 4.170 nan 0.000 0.242 18 I C 1.646 177.750 176.117 -0.022 0.000 1.088 18 I CA 3.978 65.301 61.300 0.039 0.000 1.357 18 I CB -0.207 37.829 38.000 0.059 0.000 1.051 18 I HN -0.175 8.088 8.210 0.088 0.000 0.409 19 A N -1.185 121.612 122.820 -0.037 0.000 1.908 19 A HA -0.402 nan 4.320 nan 0.000 0.218 19 A C 2.063 179.526 177.584 -0.202 0.000 1.181 19 A CA 3.244 55.186 52.037 -0.158 0.000 0.627 19 A CB -0.909 17.977 19.000 -0.190 0.000 0.818 19 A HN -0.083 8.075 8.150 0.014 0.000 0.445 20 H N -1.770 117.257 119.070 -0.071 0.000 2.395 20 H HA -0.200 nan 4.556 nan 0.000 0.299 20 H C 2.301 177.585 175.328 -0.073 0.000 1.070 20 H CA 3.234 59.244 56.048 -0.064 0.000 1.356 20 H CB 0.095 29.835 29.762 -0.037 0.000 1.401 20 H HN -0.454 7.870 8.280 0.099 0.015 0.524 21 R N -0.041 120.484 120.500 0.042 0.000 2.081 21 R HA -0.260 nan 4.340 nan 0.000 0.235 21 R C 2.375 178.630 176.300 -0.074 0.000 1.131 21 R CA 3.347 59.443 56.100 -0.007 0.000 0.960 21 R CB 0.014 30.312 30.300 -0.003 0.000 0.856 21 R HN -0.442 7.862 8.270 0.057 0.000 0.436 22 I N -1.810 118.670 120.570 -0.149 0.000 2.226 22 I HA -0.385 nan 4.170 nan 0.000 0.245 22 I C 0.236 176.210 176.117 -0.239 0.000 1.100 22 I CA 3.498 64.649 61.300 -0.248 0.000 1.374 22 I CB 0.625 38.360 38.000 -0.441 0.000 1.057 22 I HN -0.601 7.521 8.210 -0.147 0.000 0.413 23 V N -9.728 110.064 119.914 -0.204 0.000 3.099 23 V HA 0.291 nan 4.120 nan 0.000 0.356 23 V C 0.041 176.078 176.094 -0.096 0.000 1.364 23 V CA -3.253 58.938 62.300 -0.181 0.000 1.229 23 V CB -1.961 29.747 31.823 -0.191 0.000 1.227 23 V HN -0.848 7.230 8.190 -0.186 0.000 0.493 24 A N 2.314 125.094 122.820 -0.066 0.000 2.507 24 A HA 0.195 nan 4.320 nan 0.000 0.235 24 A C -1.768 175.805 177.584 -0.019 0.000 1.070 24 A CA -1.647 50.379 52.037 -0.019 0.000 0.768 24 A CB -0.882 18.110 19.000 -0.013 0.000 1.011 24 A HN -0.618 7.404 8.150 -0.085 0.077 0.502 25 P HA -0.260 nan 4.420 nan 0.000 0.259 25 P C 0.117 177.426 177.300 0.015 0.000 1.163 25 P CA 1.734 64.842 63.100 0.013 0.000 0.760 25 P CB -0.585 31.127 31.700 0.019 0.000 0.762 26 G N 3.011 111.830 108.800 0.031 0.000 2.199 26 G HA2 -0.495 nan 3.960 nan 0.000 0.254 26 G HA3 -0.495 nan 3.960 nan 0.000 0.254 26 G C -0.867 174.067 174.900 0.057 0.000 0.982 26 G CA 0.073 45.204 45.100 0.052 0.000 0.632 26 G HN 0.431 8.744 8.290 0.037 0.000 0.529 27 K N 1.551 121.944 120.400 -0.013 0.000 2.123 27 K HA 0.810 nan 4.320 nan 0.000 0.259 27 K C -1.017 175.390 176.600 -0.321 0.000 0.960 27 K CA -1.149 55.082 56.287 -0.094 0.000 0.872 27 K CB 1.919 34.356 32.500 -0.105 0.000 1.079 27 K HN -0.023 8.140 8.250 -0.027 0.071 0.440 28 G N 0.232 108.644 108.800 -0.647 0.000 3.135 28 G HA2 0.837 nan 3.960 nan 0.000 0.278 28 G HA3 0.837 nan 3.960 nan 0.000 0.278 28 G C -2.788 171.549 174.900 -0.938 0.000 1.302 28 G CA -1.396 42.774 45.100 -1.550 0.000 0.880 28 G HN 0.457 8.521 8.290 -0.376 0.000 0.574 29 I N -1.480 118.554 120.570 -0.895 0.000 2.545 29 I HA 0.548 nan 4.170 nan 0.000 0.292 29 I C -2.120 173.999 176.117 0.003 0.000 1.040 29 I CA -1.230 59.902 61.300 -0.280 0.000 1.068 29 I CB 4.121 42.009 38.000 -0.186 0.000 1.251 29 I HN 0.511 7.814 8.210 -1.327 0.111 0.424 30 L N 6.677 127.964 121.223 0.107 0.000 2.257 30 L HA 0.518 nan 4.340 nan 0.000 0.290 30 L C -2.303 174.635 176.870 0.114 0.000 1.044 30 L CA -1.860 53.084 54.840 0.174 0.000 0.810 30 L CB 1.920 44.072 42.059 0.154 0.000 1.193 30 L HN 0.326 8.601 8.230 0.075 0.000 0.425 31 A N 7.942 130.842 122.820 0.133 0.000 2.621 31 A HA 0.421 nan 4.320 nan 0.000 0.329 31 A C -1.534 176.081 177.584 0.052 0.000 1.458 31 A CA -1.084 51.012 52.037 0.099 0.000 1.052 31 A CB -0.305 18.772 19.000 0.129 0.000 1.142 31 A HN 0.624 8.787 8.150 0.187 0.099 0.523 32 A N 2.226 125.046 122.820 -0.001 0.000 2.713 32 A HA 0.369 nan 4.320 nan 0.000 0.296 32 A C -1.390 176.187 177.584 -0.011 0.000 1.255 32 A CA -1.113 50.897 52.037 -0.046 0.000 0.955 32 A CB 0.427 19.333 19.000 -0.157 0.000 1.149 32 A HN -0.216 7.930 8.150 -0.006 0.000 0.538 33 D N -2.828 117.587 120.400 0.025 0.000 2.538 33 D HA -0.061 nan 4.640 nan 0.000 0.234 33 D C -0.712 175.610 176.300 0.036 0.000 1.191 33 D CA -0.084 53.964 54.000 0.080 0.000 0.828 33 D CB -0.719 40.126 40.800 0.076 0.000 0.981 33 D HN -0.122 8.186 8.370 0.029 0.080 0.490 34 E N -0.817 119.356 120.200 -0.045 0.000 2.360 34 E HA 0.027 nan 4.350 nan 0.000 0.269 34 E C -0.233 176.065 176.600 -0.503 0.000 1.022 34 E CA -0.038 56.262 56.400 -0.166 0.000 0.887 34 E CB 0.353 29.999 29.700 -0.090 0.000 0.990 34 E HN -0.166 8.103 8.360 -0.012 0.085 0.426 35 S N 3.004 118.277 115.700 -0.710 0.000 2.645 35 S HA 0.125 nan 4.470 nan 0.000 0.266 35 S C 1.205 175.425 174.600 -0.634 0.000 1.258 35 S CA -0.936 56.461 58.200 -1.339 0.000 0.990 35 S CB 1.478 64.201 63.200 -0.794 0.000 0.967 35 S HN 0.158 8.212 8.310 -0.427 0.000 0.556 36 T N 4.022 118.296 114.554 -0.467 0.000 2.649 36 T HA -0.321 nan 4.350 nan 0.000 0.268 36 T C 2.168 176.800 174.700 -0.113 0.000 1.036 36 T CA 4.089 66.097 62.100 -0.154 0.000 1.157 36 T CB -0.762 68.093 68.868 -0.022 0.000 0.861 36 T HN 0.602 8.507 8.240 -0.558 0.000 0.445 37 G N 0.095 108.825 108.800 -0.116 0.000 2.418 37 G HA2 -0.214 nan 3.960 nan 0.000 0.217 37 G HA3 -0.214 nan 3.960 nan 0.000 0.217 37 G C 1.524 176.377 174.900 -0.079 0.000 1.158 37 G CA 1.988 47.042 45.100 -0.077 0.000 0.771 37 G HN 0.226 8.429 8.290 -0.138 0.005 0.545 38 S N 2.437 118.069 115.700 -0.113 0.000 2.357 38 S HA -0.178 nan 4.470 nan 0.000 0.221 38 S C 2.017 176.576 174.600 -0.068 0.000 1.031 38 S CA 3.441 61.588 58.200 -0.088 0.000 0.982 38 S CB 0.009 63.147 63.200 -0.104 0.000 0.853 38 S HN -0.875 7.337 8.310 -0.163 0.000 0.458 39 I N 1.847 122.366 120.570 -0.085 0.000 2.454 39 I HA -0.393 nan 4.170 nan 0.000 0.254 39 I C 0.449 176.552 176.117 -0.024 0.000 1.156 39 I CA 1.520 62.797 61.300 -0.037 0.000 1.433 39 I CB -0.404 37.582 38.000 -0.024 0.000 1.082 39 I HN 0.337 8.463 8.210 -0.140 0.000 0.432 40 A N -0.174 122.627 122.820 -0.032 0.000 1.865 40 A HA -0.421 nan 4.320 nan 0.000 0.217 40 A C 1.678 179.246 177.584 -0.025 0.000 1.191 40 A CA 4.009 56.033 52.037 -0.021 0.000 0.623 40 A CB -1.137 17.849 19.000 -0.023 0.000 0.826 40 A HN -0.091 8.006 8.150 -0.050 0.023 0.444 41 K N -1.944 118.439 120.400 -0.029 0.000 2.103 41 K HA -0.348 nan 4.320 nan 0.000 0.207 41 K C 2.887 179.470 176.600 -0.028 0.000 1.048 41 K CA 3.478 59.749 56.287 -0.026 0.000 0.930 41 K CB -0.521 31.964 32.500 -0.024 0.000 0.716 41 K HN -0.492 7.738 8.250 -0.033 0.000 0.444 42 R N -1.347 119.135 120.500 -0.031 0.000 2.062 42 R HA -0.220 nan 4.340 nan 0.000 0.231 42 R C 2.577 178.840 176.300 -0.061 0.000 1.136 42 R CA 2.228 58.304 56.100 -0.041 0.000 0.948 42 R CB -0.387 29.888 30.300 -0.041 0.000 0.845 42 R HN -0.724 7.413 8.270 -0.029 0.116 0.430 43 L N -0.893 120.298 121.223 -0.054 0.000 2.083 43 L HA -0.350 nan 4.340 nan 0.000 0.209 43 L C 2.323 179.151 176.870 -0.070 0.000 1.083 43 L CA 2.852 57.659 54.840 -0.056 0.000 0.752 43 L CB -0.491 41.562 42.059 -0.010 0.000 0.899 43 L HN 0.247 8.454 8.230 -0.038 0.000 0.433 44 Q N -0.557 119.212 119.800 -0.051 0.000 2.096 44 Q HA -0.373 nan 4.340 nan 0.000 0.204 44 Q C 2.796 178.762 176.000 -0.056 0.000 0.982 44 Q CA 3.545 59.318 55.803 -0.050 0.000 0.850 44 Q CB -0.178 28.539 28.738 -0.036 0.000 0.901 44 Q HN 0.372 8.618 8.270 -0.040 0.000 0.422 45 S N 0.366 116.036 115.700 -0.051 0.000 2.402 45 S HA -0.245 nan 4.470 nan 0.000 0.233 45 S C 1.230 175.793 174.600 -0.062 0.000 1.030 45 S CA 3.004 61.177 58.200 -0.046 0.000 1.003 45 S CB -0.130 63.050 63.200 -0.034 0.000 0.813 45 S HN -0.371 7.911 8.310 -0.046 0.000 0.477 46 I N -6.673 113.844 120.570 -0.088 0.000 3.861 46 I HA 0.405 nan 4.170 nan 0.000 0.329 46 I C -0.234 175.789 176.117 -0.156 0.000 1.321 46 I CA -1.074 60.153 61.300 -0.123 0.000 1.126 46 I CB -0.210 37.695 38.000 -0.158 0.000 1.018 46 I HN -0.770 7.277 8.210 -0.091 0.109 0.407 47 G N 0.590 109.315 108.800 -0.124 0.000 2.225 47 G HA2 -0.378 nan 3.960 nan 0.000 0.264 47 G HA3 -0.378 nan 3.960 nan 0.000 0.264 47 G C -0.478 174.330 174.900 -0.154 0.000 1.060 47 G CA 0.602 45.629 45.100 -0.122 0.000 0.833 47 G HN -0.245 7.787 8.290 -0.100 0.198 0.498 48 T N 2.375 116.832 114.554 -0.163 0.000 2.809 48 T HA 0.198 nan 4.350 nan 0.000 0.284 48 T C -0.575 174.076 174.700 -0.081 0.000 0.992 48 T CA -0.646 61.352 62.100 -0.169 0.000 0.957 48 T CB 1.704 70.403 68.868 -0.282 0.000 0.942 48 T HN -0.480 7.673 8.240 -0.144 0.000 0.439 49 E N 4.266 124.433 120.200 -0.055 0.000 2.414 49 E HA -0.210 nan 4.350 nan 0.000 0.263 49 E C -0.444 176.163 176.600 0.011 0.000 1.000 49 E CA -0.556 55.831 56.400 -0.021 0.000 0.914 49 E CB 0.619 30.309 29.700 -0.017 0.000 0.948 49 E HN 0.173 8.492 8.360 -0.068 0.000 0.444 50 N N 3.246 121.956 118.700 0.016 0.000 2.434 50 N HA -0.111 nan 4.740 nan 0.000 0.273 50 N C -1.446 174.096 175.510 0.052 0.000 1.210 50 N CA -0.194 52.879 53.050 0.038 0.000 0.992 50 N CB -0.708 37.793 38.487 0.022 0.000 1.355 50 N HN 0.197 8.579 8.380 0.003 0.000 0.495 51 T N 5.560 120.161 114.554 0.077 0.000 2.908 51 T HA 0.278 nan 4.350 nan 0.000 0.290 51 T C -0.177 174.592 174.700 0.116 0.000 1.034 51 T CA -1.467 60.682 62.100 0.082 0.000 1.010 51 T CB 2.892 71.803 68.868 0.071 0.000 1.068 51 T HN -0.530 7.768 8.240 0.096 0.000 0.481 52 E N 2.688 122.955 120.200 0.111 0.000 2.085 52 E HA -0.426 nan 4.350 nan 0.000 0.194 52 E C 1.856 178.552 176.600 0.159 0.000 0.994 52 E CA 3.761 60.241 56.400 0.134 0.000 0.801 52 E CB 0.161 29.930 29.700 0.116 0.000 0.743 52 E HN 0.371 8.786 8.360 0.091 0.000 0.453 53 E N -0.696 119.590 120.200 0.143 0.000 2.077 53 E HA -0.289 nan 4.350 nan 0.000 0.193 53 E C 2.336 179.083 176.600 0.245 0.000 0.989 53 E CA 3.121 59.621 56.400 0.167 0.000 0.800 53 E CB -0.823 28.946 29.700 0.116 0.000 0.746 53 E HN 0.350 8.777 8.360 0.115 0.003 0.452 54 N N -1.893 116.949 118.700 0.237 0.000 2.270 54 N HA -0.219 nan 4.740 nan 0.000 0.181 54 N C 2.578 178.327 175.510 0.398 0.000 1.016 54 N CA 2.896 56.160 53.050 0.357 0.000 0.870 54 N CB -0.607 38.054 38.487 0.290 0.000 0.979 54 N HN 0.172 8.578 8.380 0.179 0.081 0.431 55 R N 0.642 121.314 120.500 0.288 0.000 2.073 55 R HA -0.251 nan 4.340 nan 0.000 0.229 55 R C 2.098 178.551 176.300 0.255 0.000 1.120 55 R CA 3.693 59.952 56.100 0.264 0.000 0.967 55 R CB -0.127 30.296 30.300 0.204 0.000 0.862 55 R HN 0.150 8.563 8.270 0.238 0.000 0.436 56 R N -0.438 120.227 120.500 0.275 0.000 2.096 56 R HA -0.281 nan 4.340 nan 0.000 0.235 56 R C 2.280 178.760 176.300 0.300 0.000 1.127 56 R CA 3.394 59.690 56.100 0.327 0.000 0.968 56 R CB -0.096 30.375 30.300 0.284 0.000 0.861 56 R HN 0.084 8.511 8.270 0.261 0.000 0.440 57 F N 0.783 120.818 119.950 0.141 0.000 2.113 57 F HA -0.363 nan 4.527 nan 0.000 0.297 57 F C 1.340 177.055 175.800 -0.142 0.000 1.103 57 F CA 3.889 61.924 58.000 0.059 0.000 1.248 57 F CB 0.019 39.101 39.000 0.137 0.000 0.999 57 F HN 0.153 8.608 8.300 0.436 0.107 0.475 58 Y N -0.081 120.077 120.300 -0.237 0.000 2.128 58 Y HA -0.524 nan 4.550 nan 0.000 0.284 58 Y C 1.834 177.440 175.900 -0.490 0.000 1.154 58 Y CA 3.549 61.286 58.100 -0.605 0.000 1.149 58 Y CB -0.214 38.019 38.460 -0.379 0.000 0.976 58 Y HN -0.129 8.324 8.280 0.287 0.000 0.505 59 R N -2.449 117.768 120.500 -0.472 0.000 2.096 59 R HA -0.401 nan 4.340 nan 0.000 0.235 59 R C 2.159 178.003 176.300 -0.760 0.000 1.127 59 R CA 2.515 58.222 56.100 -0.654 0.000 0.968 59 R CB -0.825 29.176 30.300 -0.499 0.000 0.861 59 R HN -0.033 8.144 8.270 -0.156 0.000 0.440 60 Q N 0.484 119.947 119.800 -0.561 0.000 2.050 60 Q HA -0.247 nan 4.340 nan 0.000 0.202 60 Q C 2.537 178.239 176.000 -0.498 0.000 0.980 60 Q CA 3.268 58.821 55.803 -0.417 0.000 0.840 60 Q CB -0.261 28.396 28.738 -0.133 0.000 0.898 60 Q HN -0.348 7.616 8.270 -0.354 0.093 0.424 61 L N -0.116 120.705 121.223 -0.670 0.000 2.013 61 L HA -0.373 nan 4.340 nan 0.000 0.212 61 L C 1.561 178.129 176.870 -0.502 0.000 1.073 61 L CA 3.190 57.659 54.840 -0.618 0.000 0.753 61 L CB -0.017 41.587 42.059 -0.759 0.000 0.890 61 L HN 0.032 7.725 8.230 -0.773 0.073 0.432 62 L N -3.251 117.569 121.223 -0.672 0.000 2.023 62 L HA -0.320 nan 4.340 nan 0.000 0.205 62 L C 2.344 178.938 176.870 -0.461 0.000 1.073 62 L CA 2.743 57.135 54.840 -0.746 0.000 0.745 62 L CB 0.156 41.636 42.059 -0.965 0.000 0.900 62 L HN -0.654 7.093 8.230 -0.803 0.001 0.435 63 L N -3.694 117.261 121.223 -0.448 0.000 2.201 63 L HA -0.295 nan 4.340 nan 0.000 0.212 63 L C 1.525 178.303 176.870 -0.153 0.000 1.105 63 L CA 2.311 56.974 54.840 -0.295 0.000 0.775 63 L CB -0.147 41.656 42.059 -0.426 0.000 0.913 63 L HN 0.095 7.981 8.230 -0.574 0.000 0.440 64 T N -8.913 105.545 114.554 -0.161 0.000 3.206 64 T HA 0.149 nan 4.350 nan 0.000 0.253 64 T C 0.884 175.559 174.700 -0.043 0.000 1.042 64 T CA -1.388 60.666 62.100 -0.077 0.000 0.931 64 T CB -0.194 68.632 68.868 -0.070 0.000 1.029 64 T HN -0.383 7.684 8.240 -0.245 0.027 0.564 65 A N 3.322 126.138 122.820 -0.007 0.000 2.448 65 A HA -0.019 nan 4.320 nan 0.000 0.239 65 A C -1.201 176.402 177.584 0.032 0.000 1.080 65 A CA -0.169 51.901 52.037 0.055 0.000 0.779 65 A CB 0.830 19.960 19.000 0.217 0.000 1.026 65 A HN -0.554 7.509 8.150 -0.016 0.077 0.499 66 D N -2.841 117.571 120.400 0.021 0.000 2.362 66 D HA -0.170 nan 4.640 nan 0.000 0.238 66 D C 1.081 177.384 176.300 0.004 0.000 1.212 66 D CA 0.721 54.726 54.000 0.009 0.000 0.902 66 D CB 0.838 41.642 40.800 0.007 0.000 1.180 66 D HN -0.045 8.340 8.370 0.025 0.000 0.445 67 D N 0.081 120.483 120.400 0.003 0.000 2.357 67 D HA -0.322 nan 4.640 nan 0.000 0.216 67 D C 1.828 178.124 176.300 -0.008 0.000 0.973 67 D CA 3.215 57.216 54.000 0.000 0.000 0.912 67 D CB -0.421 40.380 40.800 0.003 0.000 0.900 67 D HN 0.434 8.807 8.370 0.004 0.000 0.501 68 R N -0.910 119.581 120.500 -0.015 0.000 2.152 68 R HA -0.239 nan 4.340 nan 0.000 0.232 68 R C 1.851 178.127 176.300 -0.041 0.000 1.117 68 R CA 2.590 58.675 56.100 -0.025 0.000 0.981 68 R CB -0.052 30.230 30.300 -0.030 0.000 0.870 68 R HN -0.189 8.322 8.270 -0.012 -0.248 0.451 69 V N -7.508 112.375 119.914 -0.052 0.000 2.871 69 V HA 0.020 nan 4.120 nan 0.000 0.256 69 V C 1.535 177.616 176.094 -0.022 0.000 1.082 69 V CA 1.925 64.181 62.300 -0.073 0.000 1.105 69 V CB -0.452 31.307 31.823 -0.106 0.000 0.713 69 V HN -0.191 7.949 8.190 -0.040 0.026 0.473 70 N N 2.458 121.154 118.700 -0.007 0.000 2.060 70 N HA -0.156 nan 4.740 nan 0.000 0.195 70 N C -0.514 174.998 175.510 0.002 0.000 1.028 70 N CA 3.462 56.513 53.050 0.003 0.000 0.861 70 N CB -2.657 35.832 38.487 0.003 0.000 1.029 70 N HN 0.022 8.227 8.380 -0.009 0.169 0.428 71 P HA 0.090 nan 4.420 nan 0.000 0.230 71 P C -0.455 176.852 177.300 0.013 0.000 1.158 71 P CA 1.140 64.243 63.100 0.004 0.000 0.769 71 P CB 0.002 31.705 31.700 0.004 0.000 0.807 72 C N -4.050 115.261 119.300 0.019 0.000 2.611 72 C HA 0.088 nan 4.460 nan 0.000 0.282 72 C C -0.595 174.442 174.990 0.078 0.000 1.321 72 C CA 0.776 59.832 59.018 0.064 0.000 1.747 72 C CB 0.633 28.403 27.740 0.050 0.000 2.124 72 C HN -0.084 7.961 8.230 0.006 0.188 0.531 73 I N 0.353 120.944 120.570 0.035 0.000 2.328 73 I HA 0.148 nan 4.170 nan 0.000 0.287 73 I C 0.192 176.290 176.117 -0.031 0.000 1.012 73 I CA -1.915 59.395 61.300 0.016 0.000 1.195 73 I CB -1.323 36.718 38.000 0.068 0.000 1.350 73 I HN -0.432 7.792 8.210 0.023 0.000 0.464 74 G N 5.464 114.202 108.800 -0.103 0.000 2.539 74 G HA2 0.084 nan 3.960 nan 0.000 0.215 74 G HA3 0.084 nan 3.960 nan 0.000 0.215 74 G C -1.387 173.459 174.900 -0.090 0.000 1.141 74 G CA 0.477 45.511 45.100 -0.111 0.000 0.806 74 G HN 0.802 8.988 8.290 -0.173 0.000 0.533 75 G N -2.288 106.465 108.800 -0.079 0.000 2.704 75 G HA2 0.634 nan 3.960 nan 0.000 0.293 75 G HA3 0.634 nan 3.960 nan 0.000 0.293 75 G C -3.036 171.961 174.900 0.163 0.000 1.421 75 G CA 0.073 45.216 45.100 0.071 0.000 0.870 75 G HN -0.751 7.470 8.290 -0.115 0.000 0.492 76 V N 1.096 121.164 119.914 0.258 0.000 2.525 76 V HA 0.689 nan 4.120 nan 0.000 0.299 76 V C -1.209 174.915 176.094 0.050 0.000 1.034 76 V CA -1.166 61.205 62.300 0.117 0.000 0.863 76 V CB 2.812 34.636 31.823 0.002 0.000 0.999 76 V HN 0.536 8.928 8.190 0.337 0.000 0.423 77 I N 6.212 126.805 120.570 0.039 0.000 2.325 77 I HA 0.473 nan 4.170 nan 0.000 0.291 77 I C -1.096 174.961 176.117 -0.101 0.000 1.019 77 I CA -0.371 60.873 61.300 -0.094 0.000 1.302 77 I CB 0.060 38.074 38.000 0.023 0.000 1.401 77 I HN 0.424 8.685 8.210 0.084 0.000 0.485 78 L N 4.364 125.486 121.223 -0.169 0.000 2.322 78 L HA 0.604 nan 4.340 nan 0.000 0.269 78 L C -1.436 175.410 176.870 -0.041 0.000 1.012 78 L CA -2.036 52.740 54.840 -0.106 0.000 0.815 78 L CB 3.196 45.157 42.059 -0.164 0.000 1.295 78 L HN 0.654 8.596 8.230 -0.271 0.125 0.438 79 F N 0.360 120.251 119.950 -0.098 0.000 2.377 79 F HA 0.159 nan 4.527 nan 0.000 0.328 79 F C 0.265 176.061 175.800 -0.007 0.000 1.094 79 F CA -1.444 56.535 58.000 -0.035 0.000 1.093 79 F CB 2.371 41.378 39.000 0.011 0.000 1.214 79 F HN 0.368 8.773 8.300 0.173 0.000 0.518 80 H N 6.715 125.247 119.070 -0.897 0.000 2.292 80 H HA -0.482 nan 4.556 nan 0.000 0.292 80 H C 1.197 176.428 175.328 -0.162 0.000 1.100 80 H CA 4.590 60.344 56.048 -0.490 0.000 1.238 80 H CB 0.259 29.748 29.762 -0.455 0.000 1.355 80 H HN 0.569 8.082 8.280 -1.279 0.000 0.484 81 E N -2.644 117.569 120.200 0.022 0.000 2.049 81 E HA -0.382 nan 4.350 nan 0.000 0.198 81 E C 2.214 178.927 176.600 0.189 0.000 1.007 81 E CA 3.125 59.676 56.400 0.251 0.000 0.809 81 E CB -0.291 29.636 29.700 0.379 0.000 0.749 81 E HN 0.306 8.493 8.360 -0.287 0.000 0.450 82 T N 1.258 115.920 114.554 0.180 0.000 2.833 82 T HA -0.202 nan 4.350 nan 0.000 0.269 82 T C 2.358 177.119 174.700 0.101 0.000 1.054 82 T CA 3.197 65.419 62.100 0.203 0.000 1.135 82 T CB -0.645 68.305 68.868 0.137 0.000 0.869 82 T HN -0.353 8.024 8.240 0.227 0.000 0.466 83 L N 0.816 121.936 121.223 -0.172 0.000 2.191 83 L HA -0.262 nan 4.340 nan 0.000 0.212 83 L C -0.050 176.466 176.870 -0.589 0.000 1.103 83 L CA 2.302 56.875 54.840 -0.445 0.000 0.769 83 L CB -0.067 41.535 42.059 -0.763 0.000 0.908 83 L HN -0.638 7.450 8.230 -0.198 0.023 0.438 84 Y N -5.264 114.996 120.300 -0.067 0.000 2.507 84 Y HA 0.057 nan 4.550 nan 0.000 0.254 84 Y C -0.082 175.772 175.900 -0.076 0.000 1.171 84 Y CA -0.717 57.343 58.100 -0.065 0.000 1.238 84 Y CB 0.162 38.582 38.460 -0.065 0.000 1.148 84 Y HN -0.780 7.397 8.280 -0.119 0.031 0.525 85 Q N 0.221 120.008 119.800 -0.022 0.000 2.199 85 Q HA 0.243 nan 4.340 nan 0.000 0.232 85 Q C -1.095 174.545 176.000 -0.600 0.000 0.969 85 Q CA -0.505 55.171 55.803 -0.212 0.000 0.925 85 Q CB 2.099 30.767 28.738 -0.118 0.000 1.198 85 Q HN -0.609 7.495 8.270 0.017 0.177 0.494 86 K N -2.227 117.753 120.400 -0.700 0.000 2.395 86 K HA 0.790 nan 4.320 nan 0.000 0.247 86 K C -1.710 174.427 176.600 -0.771 0.000 0.973 86 K CA -1.598 54.281 56.287 -0.680 0.000 0.828 86 K CB 3.411 35.739 32.500 -0.286 0.000 1.272 86 K HN 0.200 8.141 8.250 -0.515 0.000 0.439 87 A N 0.450 122.991 122.820 -0.465 0.000 2.272 87 A HA 0.333 nan 4.320 nan 0.000 0.275 87 A C 1.197 178.745 177.584 -0.060 0.000 1.096 87 A CA -0.939 51.029 52.037 -0.116 0.000 0.822 87 A CB 0.660 19.709 19.000 0.081 0.000 1.088 87 A HN 0.807 8.642 8.150 -0.344 0.109 0.495 88 D N 1.291 121.702 120.400 0.017 0.000 2.158 88 D HA -0.325 nan 4.640 nan 0.000 0.197 88 D C 1.127 177.436 176.300 0.014 0.000 0.995 88 D CA 3.012 57.031 54.000 0.031 0.000 0.846 88 D CB -0.330 40.512 40.800 0.069 0.000 0.941 88 D HN 0.641 9.403 8.370 0.052 -0.362 0.456 89 D N -4.187 116.220 120.400 0.012 0.000 2.371 89 D HA -0.082 nan 4.640 nan 0.000 0.234 89 D C 1.107 177.403 176.300 -0.007 0.000 1.049 89 D CA -0.113 53.892 54.000 0.008 0.000 0.907 89 D CB -0.821 39.987 40.800 0.014 0.000 0.891 89 D HN -0.216 8.158 8.370 0.019 0.008 0.531 90 G N -0.311 108.473 108.800 -0.026 0.000 2.241 90 G HA2 -0.525 nan 3.960 nan 0.000 0.244 90 G HA3 -0.525 nan 3.960 nan 0.000 0.244 90 G C -0.764 174.104 174.900 -0.053 0.000 0.998 90 G CA -0.082 44.995 45.100 -0.038 0.000 0.621 90 G HN 0.068 8.133 8.290 -0.032 0.205 0.519 91 R N 1.930 122.405 120.500 -0.043 0.000 2.442 91 R HA 0.105 nan 4.340 nan 0.000 0.291 91 R C -2.222 174.029 176.300 -0.082 0.000 1.069 91 R CA -1.774 54.304 56.100 -0.037 0.000 1.022 91 R CB -0.087 30.212 30.300 -0.002 0.000 0.976 91 R HN -0.712 7.686 8.270 -0.027 -0.145 0.443 92 P HA -0.005 nan 4.420 nan 0.000 0.268 92 P C 0.421 177.707 177.300 -0.023 0.000 1.205 92 P CA 0.439 63.474 63.100 -0.110 0.000 0.771 92 P CB 0.288 31.955 31.700 -0.055 0.000 0.858 93 F N 3.274 123.184 119.950 -0.067 0.000 2.115 93 F HA -0.363 nan 4.527 nan 0.000 0.300 93 F C -0.241 175.503 175.800 -0.093 0.000 1.092 93 F CA 4.732 62.680 58.000 -0.086 0.000 1.245 93 F CB -3.134 35.804 39.000 -0.103 0.000 0.995 93 F HN 0.578 8.720 8.300 -0.263 0.000 0.481 94 P HA -0.303 nan 4.420 nan 0.000 0.216 94 P C 1.480 178.787 177.300 0.012 0.000 1.150 94 P CA 3.405 66.502 63.100 -0.003 0.000 0.837 94 P CB -0.302 31.361 31.700 -0.061 0.000 0.786 95 Q N -1.635 118.178 119.800 0.021 0.000 2.079 95 Q HA -0.278 nan 4.340 nan 0.000 0.200 95 Q C 2.285 178.303 176.000 0.031 0.000 0.974 95 Q CA 3.314 59.129 55.803 0.020 0.000 0.840 95 Q CB -0.085 28.661 28.738 0.013 0.000 0.898 95 Q HN -0.396 7.785 8.270 0.020 0.101 0.430 96 V N 0.437 120.385 119.914 0.056 0.000 2.287 96 V HA -0.418 nan 4.120 nan 0.000 0.248 96 V C 2.647 178.757 176.094 0.027 0.000 1.053 96 V CA 4.411 66.744 62.300 0.055 0.000 1.027 96 V CB -0.741 31.146 31.823 0.107 0.000 0.646 96 V HN -0.554 7.685 8.190 0.081 0.000 0.447 97 I N -1.066 119.514 120.570 0.018 0.000 2.163 97 I HA -0.640 nan 4.170 nan 0.000 0.243 97 I C 1.698 177.823 176.117 0.013 0.000 1.085 97 I CA 4.466 65.767 61.300 0.001 0.000 1.347 97 I CB -0.482 37.510 38.000 -0.013 0.000 1.044 97 I HN -0.283 7.946 8.210 0.031 0.000 0.408 98 K N -1.313 119.097 120.400 0.016 0.000 2.097 98 K HA -0.314 nan 4.320 nan 0.000 0.205 98 K C 3.141 179.750 176.600 0.016 0.000 1.050 98 K CA 3.499 59.797 56.287 0.018 0.000 0.938 98 K CB -0.254 32.256 32.500 0.017 0.000 0.718 98 K HN -0.228 8.031 8.250 0.015 0.000 0.442 99 S N 0.670 116.379 115.700 0.016 0.000 2.423 99 S HA -0.163 nan 4.470 nan 0.000 0.231 99 S C 1.033 175.641 174.600 0.013 0.000 1.014 99 S CA 2.981 61.189 58.200 0.014 0.000 0.965 99 S CB -0.432 62.777 63.200 0.015 0.000 0.785 99 S HN 0.060 8.380 8.310 0.017 0.000 0.495 100 K N 0.073 120.481 120.400 0.013 0.000 2.476 100 K HA 0.101 nan 4.320 nan 0.000 0.196 100 K C -0.363 176.244 176.600 0.012 0.000 1.025 100 K CA -0.501 55.793 56.287 0.012 0.000 1.138 100 K CB -0.306 32.201 32.500 0.013 0.000 0.860 100 K HN -0.877 7.259 8.250 0.014 0.122 0.515 101 G N -2.378 106.429 108.800 0.012 0.000 2.148 101 G HA2 -0.347 nan 3.960 nan 0.000 0.254 101 G HA3 -0.347 nan 3.960 nan 0.000 0.254 101 G C -0.346 174.561 174.900 0.011 0.000 0.981 101 G CA 0.057 45.163 45.100 0.010 0.000 0.670 101 G HN -0.282 7.815 8.290 0.013 0.201 0.528 102 G N -1.807 107.004 108.800 0.018 0.000 2.462 102 G HA2 0.627 nan 3.960 nan 0.000 0.319 102 G HA3 0.627 nan 3.960 nan 0.000 0.319 102 G C -1.062 173.870 174.900 0.052 0.000 1.171 102 G CA -1.584 43.532 45.100 0.027 0.000 0.920 102 G HN -0.534 7.727 8.290 0.019 0.041 0.499 103 V N 1.113 121.082 119.914 0.092 0.000 2.472 103 V HA 0.236 nan 4.120 nan 0.000 0.290 103 V C -0.599 175.665 176.094 0.283 0.000 1.037 103 V CA -0.510 61.895 62.300 0.175 0.000 0.908 103 V CB 1.684 33.616 31.823 0.182 0.000 0.985 103 V HN 0.243 8.360 8.190 0.074 0.117 0.454 104 V N 4.469 124.467 119.914 0.139 0.000 2.465 104 V HA 0.574 nan 4.120 nan 0.000 0.279 104 V C -0.522 175.322 176.094 -0.416 0.000 1.045 104 V CA -1.244 61.019 62.300 -0.062 0.000 0.938 104 V CB 0.545 32.306 31.823 -0.105 0.000 0.986 104 V HN 0.673 8.927 8.190 0.108 0.000 0.467 105 G N 4.993 113.276 108.800 -0.863 0.000 2.498 105 G HA2 0.981 nan 3.960 nan 0.000 0.312 105 G HA3 0.981 nan 3.960 nan 0.000 0.312 105 G C -3.244 171.212 174.900 -0.739 0.000 1.230 105 G CA -1.831 42.348 45.100 -1.536 0.000 0.968 105 G HN 0.768 8.740 8.290 -0.530 0.000 0.481 106 I N -0.298 119.912 120.570 -0.599 0.000 2.582 106 I HA 0.561 nan 4.170 nan 0.000 0.292 106 I C -2.505 173.451 176.117 -0.267 0.000 1.066 106 I CA -2.648 58.371 61.300 -0.469 0.000 1.053 106 I CB 4.460 42.012 38.000 -0.748 0.000 1.241 106 I HN 0.270 8.115 8.210 -0.607 0.000 0.421 107 K N 8.450 128.748 120.400 -0.169 0.000 2.339 107 K HA 0.239 nan 4.320 nan 0.000 0.286 107 K C -0.531 176.056 176.600 -0.022 0.000 1.050 107 K CA 0.636 56.900 56.287 -0.039 0.000 0.956 107 K CB 0.801 33.332 32.500 0.052 0.000 0.990 107 K HN 0.259 8.399 8.250 -0.183 0.000 0.475 108 V N -2.223 117.729 119.914 0.062 0.000 3.556 108 V HA 0.416 nan 4.120 nan 0.000 0.287 108 V C -0.623 175.511 176.094 0.067 0.000 1.422 108 V CA -1.558 60.840 62.300 0.164 0.000 1.038 108 V CB 0.719 32.752 31.823 0.349 0.000 0.850 108 V HN 0.415 8.648 8.190 0.071 0.000 0.437 109 D N 0.790 121.073 120.400 -0.196 0.000 2.358 109 D HA 0.088 nan 4.640 nan 0.000 0.244 109 D C 0.171 176.247 176.300 -0.375 0.000 1.163 109 D CA 0.055 53.641 54.000 -0.690 0.000 0.945 109 D CB 0.957 40.965 40.800 -1.320 0.000 1.152 109 D HN -0.651 7.612 8.370 -0.178 0.000 0.451 110 K N 0.435 120.596 120.400 -0.398 0.000 2.726 110 K HA 0.068 nan 4.320 nan 0.000 0.209 110 K C -0.108 176.381 176.600 -0.185 0.000 1.082 110 K CA -0.659 55.514 56.287 -0.190 0.000 1.081 110 K CB 0.112 32.549 32.500 -0.105 0.000 0.830 110 K HN 0.320 8.113 8.250 -0.595 0.100 0.470 111 G N -0.471 108.176 108.800 -0.255 0.000 2.746 111 G HA2 -0.312 nan 3.960 nan 0.000 0.685 111 G HA3 -0.312 nan 3.960 nan 0.000 0.685 111 G C -2.306 172.483 174.900 -0.185 0.000 1.350 111 G CA -0.661 44.325 45.100 -0.190 0.000 0.837 111 G HN -0.453 7.858 8.290 -0.356 -0.235 0.564 112 V N -4.073 115.764 119.914 -0.128 0.000 2.686 112 V HA 0.675 nan 4.120 nan 0.000 0.295 112 V C -0.457 175.605 176.094 -0.055 0.000 1.057 112 V CA -1.773 60.474 62.300 -0.089 0.000 1.012 112 V CB 0.664 32.447 31.823 -0.066 0.000 1.006 112 V HN -0.176 7.947 8.190 -0.112 0.000 0.477 113 V N -2.346 117.549 119.914 -0.032 0.000 2.876 113 V HA 0.689 nan 4.120 nan 0.000 0.312 113 V C -2.586 173.505 176.094 -0.006 0.000 1.085 113 V CA -4.146 58.144 62.300 -0.017 0.000 0.945 113 V CB 2.866 34.684 31.823 -0.008 0.000 1.017 113 V HN 0.946 9.121 8.190 -0.026 0.000 0.428 114 P HA 0.354 nan 4.420 nan 0.000 0.271 114 P C -1.262 176.043 177.300 0.007 0.000 1.218 114 P CA -0.384 62.717 63.100 0.001 0.000 0.780 114 P CB 0.542 32.242 31.700 0.000 0.000 0.901 115 L N 3.078 124.306 121.223 0.009 0.000 2.262 115 L HA 0.227 nan 4.340 nan 0.000 0.288 115 L C -0.551 176.325 176.870 0.011 0.000 1.035 115 L CA -1.202 53.645 54.840 0.012 0.000 0.820 115 L CB 0.721 42.788 42.059 0.014 0.000 1.204 115 L HN 0.570 8.805 8.230 0.008 0.000 0.424 116 A N 5.658 128.484 122.820 0.010 0.000 2.483 116 A HA -0.138 nan 4.320 nan 0.000 0.238 116 A C 0.737 178.326 177.584 0.009 0.000 1.070 116 A CA 0.838 52.880 52.037 0.009 0.000 0.770 116 A CB -0.193 18.812 19.000 0.008 0.000 1.008 116 A HN 0.638 8.794 8.150 0.011 0.000 0.497 117 G N 1.608 110.412 108.800 0.008 0.000 2.143 117 G HA2 -0.225 nan 3.960 nan 0.000 0.249 117 G HA3 -0.225 nan 3.960 nan 0.000 0.249 117 G C -0.404 174.501 174.900 0.008 0.000 0.981 117 G CA 0.116 45.219 45.100 0.006 0.000 0.665 117 G HN 0.429 8.724 8.290 0.008 0.000 0.528 118 T N -3.328 111.234 114.554 0.013 0.000 2.910 118 T HA 0.173 nan 4.350 nan 0.000 0.287 118 T C -0.609 174.109 174.700 0.029 0.000 1.050 118 T CA -2.302 59.810 62.100 0.021 0.000 1.011 118 T CB 2.505 71.385 68.868 0.020 0.000 1.195 118 T HN -0.566 7.637 8.240 0.013 0.045 0.540 119 N N 2.378 121.105 118.700 0.044 0.000 3.245 119 N HA 0.004 nan 4.740 nan 0.000 0.296 119 N C 0.398 175.925 175.510 0.027 0.000 1.254 119 N CA -1.631 51.449 53.050 0.050 0.000 1.190 119 N CB -0.993 37.546 38.487 0.087 0.000 1.460 119 N HN 0.601 9.011 8.380 0.050 0.000 0.538 120 G N 0.587 109.397 108.800 0.018 0.000 2.198 120 G HA2 -0.437 nan 3.960 nan 0.000 0.260 120 G HA3 -0.437 nan 3.960 nan 0.000 0.260 120 G C -0.421 174.482 174.900 0.005 0.000 1.025 120 G CA 0.458 45.563 45.100 0.008 0.000 0.769 120 G HN -0.292 7.959 8.290 0.019 0.051 0.507 121 E N -1.027 119.178 120.200 0.009 0.000 2.314 121 E HA 0.390 nan 4.350 nan 0.000 0.262 121 E C -1.041 175.561 176.600 0.005 0.000 1.093 121 E CA -0.556 55.847 56.400 0.006 0.000 0.908 121 E CB 1.617 31.324 29.700 0.011 0.000 1.091 121 E HN -0.517 7.851 8.360 0.014 0.000 0.425 122 T N -3.965 110.591 114.554 0.003 0.000 2.864 122 T HA 0.711 nan 4.350 nan 0.000 0.289 122 T C -1.464 173.244 174.700 0.013 0.000 1.082 122 T CA -2.175 59.927 62.100 0.003 0.000 1.009 122 T CB 2.723 71.586 68.868 -0.009 0.000 1.234 122 T HN 0.240 8.481 8.240 0.002 0.000 0.526 123 T N 0.402 114.967 114.554 0.020 0.000 2.804 123 T HA 0.450 nan 4.350 nan 0.000 0.290 123 T C -1.881 172.842 174.700 0.037 0.000 1.099 123 T CA -1.835 60.293 62.100 0.047 0.000 1.011 123 T CB 3.009 71.912 68.868 0.059 0.000 1.291 123 T HN 0.396 8.643 8.240 0.011 0.000 0.523 124 T N 2.836 117.445 114.554 0.092 0.000 2.876 124 T HA 0.678 nan 4.350 nan 0.000 0.289 124 T C -1.109 173.639 174.700 0.081 0.000 1.014 124 T CA -0.444 61.651 62.100 -0.008 0.000 0.986 124 T CB 1.848 70.632 68.868 -0.140 0.000 1.021 124 T HN 0.288 8.633 8.240 0.174 0.000 0.458 125 Q N 2.308 122.055 119.800 -0.087 0.000 2.240 125 Q HA 0.467 nan 4.340 nan 0.000 0.260 125 Q C 0.102 176.012 176.000 -0.150 0.000 1.018 125 Q CA -1.764 54.047 55.803 0.013 0.000 0.898 125 Q CB 2.148 30.887 28.738 0.002 0.000 1.301 125 Q HN 0.653 8.812 8.270 -0.185 0.000 0.469 126 G N -1.996 106.871 108.800 0.111 0.000 2.507 126 G HA2 -0.146 nan 3.960 nan 0.000 0.205 126 G HA3 -0.146 nan 3.960 nan 0.000 0.205 126 G C -0.250 174.894 174.900 0.407 0.000 0.996 126 G CA 0.342 45.519 45.100 0.128 0.000 0.776 126 G HN 0.420 8.822 8.290 0.187 0.000 0.532 127 L N -0.657 120.813 121.223 0.411 0.000 2.240 127 L HA -0.119 nan 4.340 nan 0.000 0.211 127 L C -0.496 176.471 176.870 0.161 0.000 1.106 127 L CA 1.118 56.121 54.840 0.271 0.000 0.793 127 L CB -0.301 41.865 42.059 0.178 0.000 0.927 127 L HN -0.181 8.284 8.230 0.391 0.000 0.446 128 D N 0.107 120.584 120.400 0.129 0.000 2.434 128 D HA -0.056 nan 4.640 nan 0.000 0.252 128 D C 1.131 177.472 176.300 0.069 0.000 1.185 128 D CA 1.444 55.492 54.000 0.080 0.000 0.886 128 D CB -0.696 40.140 40.800 0.059 0.000 1.148 128 D HN -0.241 8.211 8.370 0.136 0.000 0.483 129 G N 3.987 112.818 108.800 0.052 0.000 2.187 129 G HA2 -0.384 nan 3.960 nan 0.000 0.261 129 G HA3 -0.384 nan 3.960 nan 0.000 0.261 129 G C 0.711 175.639 174.900 0.046 0.000 1.000 129 G CA 0.872 45.992 45.100 0.034 0.000 0.718 129 G HN 0.446 8.765 8.290 0.048 0.000 0.519 130 L N 0.102 121.377 121.223 0.086 0.000 2.083 130 L HA -0.276 nan 4.340 nan 0.000 0.209 130 L C 0.826 177.746 176.870 0.083 0.000 1.083 130 L CA 2.874 57.788 54.840 0.122 0.000 0.752 130 L CB -0.291 41.880 42.059 0.187 0.000 0.899 130 L HN -0.357 7.874 8.230 0.094 0.055 0.433 131 S N -0.702 115.030 115.700 0.054 0.000 2.359 131 S HA -0.420 nan 4.470 nan 0.000 0.224 131 S C 1.756 176.364 174.600 0.013 0.000 1.035 131 S CA 3.650 61.870 58.200 0.033 0.000 1.018 131 S CB -0.877 62.336 63.200 0.022 0.000 0.876 131 S HN 0.482 8.810 8.310 0.053 0.014 0.448 132 E N 0.811 121.010 120.200 -0.003 0.000 2.106 132 E HA -0.278 nan 4.350 nan 0.000 0.192 132 E C 2.469 179.023 176.600 -0.076 0.000 0.984 132 E CA 3.395 59.777 56.400 -0.030 0.000 0.806 132 E CB -0.701 28.980 29.700 -0.031 0.000 0.750 132 E HN 0.132 8.495 8.360 0.005 0.000 0.458 133 R N -0.032 120.411 120.500 -0.095 0.000 2.081 133 R HA -0.280 nan 4.340 nan 0.000 0.235 133 R C 2.423 178.564 176.300 -0.265 0.000 1.131 133 R CA 3.437 59.378 56.100 -0.264 0.000 0.960 133 R CB -0.162 30.033 30.300 -0.175 0.000 0.856 133 R HN -0.437 7.808 8.270 -0.042 0.000 0.436 134 C N -1.387 117.915 119.300 0.004 0.000 2.440 134 C HA -0.198 nan 4.460 nan 0.000 0.278 134 C C 2.022 177.056 174.990 0.073 0.000 1.295 134 C CA 4.002 63.096 59.018 0.127 0.000 1.738 134 C CB -2.006 25.809 27.740 0.124 0.000 1.987 134 C HN 0.300 8.548 8.230 0.029 0.000 0.492 135 A N -0.736 122.094 122.820 0.016 0.000 1.933 135 A HA -0.301 nan 4.320 nan 0.000 0.218 135 A C 2.186 179.776 177.584 0.010 0.000 1.175 135 A CA 3.275 55.321 52.037 0.015 0.000 0.628 135 A CB -0.863 18.137 19.000 -0.000 0.000 0.814 135 A HN 0.099 8.170 8.150 -0.000 0.080 0.444 136 Q N -0.402 119.371 119.800 -0.044 0.000 2.049 136 Q HA -0.242 nan 4.340 nan 0.000 0.198 136 Q C 2.265 178.302 176.000 0.063 0.000 0.971 136 Q CA 2.545 58.325 55.803 -0.038 0.000 0.833 136 Q CB -0.310 28.348 28.738 -0.133 0.000 0.896 136 Q HN -0.314 7.820 8.270 -0.094 0.079 0.434 137 Y N -0.882 119.455 120.300 0.061 0.000 2.207 137 Y HA -0.449 nan 4.550 nan 0.000 0.287 137 Y C 2.344 178.239 175.900 -0.008 0.000 1.156 137 Y CA 1.975 60.087 58.100 0.018 0.000 1.182 137 Y CB -0.718 37.746 38.460 0.005 0.000 0.979 137 Y HN 0.314 8.515 8.280 -0.132 0.000 0.521 138 K N -0.982 119.520 120.400 0.171 0.000 2.026 138 K HA -0.351 nan 4.320 nan 0.000 0.208 138 K C 2.677 179.320 176.600 0.070 0.000 1.048 138 K CA 2.749 59.094 56.287 0.096 0.000 0.929 138 K CB -0.400 32.146 32.500 0.077 0.000 0.713 138 K HN -0.002 8.341 8.250 0.170 0.009 0.439 139 K N -1.196 119.246 120.400 0.069 0.000 2.152 139 K HA -0.256 nan 4.320 nan 0.000 0.206 139 K C 1.667 178.303 176.600 0.060 0.000 1.048 139 K CA 2.634 58.955 56.287 0.055 0.000 0.933 139 K CB -0.128 32.402 32.500 0.050 0.000 0.721 139 K HN -0.699 7.595 8.250 0.073 0.000 0.447 140 D N -3.867 116.583 120.400 0.083 0.000 2.319 140 D HA 0.036 nan 4.640 nan 0.000 0.230 140 D C 0.538 176.831 176.300 -0.012 0.000 1.094 140 D CA 0.072 54.109 54.000 0.061 0.000 0.856 140 D CB -0.327 40.548 40.800 0.125 0.000 0.915 140 D HN -0.486 7.827 8.370 0.111 0.124 0.517 141 G N -2.185 106.616 108.800 0.001 0.000 2.201 141 G HA2 -0.388 nan 3.960 nan 0.000 0.212 141 G HA3 -0.388 nan 3.960 nan 0.000 0.212 141 G C -1.128 173.749 174.900 -0.038 0.000 0.994 141 G CA -0.024 45.063 45.100 -0.022 0.000 0.644 141 G HN -0.280 7.848 8.290 0.026 0.178 0.508 142 A N -0.143 122.648 122.820 -0.048 0.000 2.327 142 A HA 0.349 nan 4.320 nan 0.000 0.283 142 A C -1.298 176.280 177.584 -0.011 0.000 1.127 142 A CA -0.451 51.530 52.037 -0.092 0.000 0.810 142 A CB 0.855 19.750 19.000 -0.174 0.000 1.066 142 A HN -0.370 7.770 8.150 -0.017 0.000 0.492 143 D N -0.553 119.859 120.400 0.020 0.000 2.500 143 D HA 0.458 nan 4.640 nan 0.000 0.218 143 D C -1.082 175.351 176.300 0.222 0.000 1.140 143 D CA 0.901 54.974 54.000 0.122 0.000 0.830 143 D CB 3.548 44.439 40.800 0.153 0.000 1.055 143 D HN 0.481 8.835 8.370 -0.026 0.000 0.512 144 F N -3.228 116.723 119.950 0.001 0.000 2.645 144 F HA 0.904 nan 4.527 nan 0.000 0.310 144 F C -3.004 172.813 175.800 0.028 0.000 1.102 144 F CA -2.022 55.984 58.000 0.010 0.000 0.952 144 F CB 3.221 42.218 39.000 -0.006 0.000 1.326 144 F HN -0.692 7.540 8.300 -0.114 0.000 0.456 145 A N -1.845 121.085 122.820 0.184 0.000 2.485 145 A HA 0.820 nan 4.320 nan 0.000 0.292 145 A C -2.571 175.201 177.584 0.313 0.000 1.147 145 A CA -1.528 50.589 52.037 0.135 0.000 0.750 145 A CB 3.560 22.713 19.000 0.256 0.000 1.331 145 A HN 0.806 9.160 8.150 0.339 0.000 0.419 146 K N -1.211 119.329 120.400 0.233 0.000 2.422 146 K HA 0.796 nan 4.320 nan 0.000 0.251 146 K C -2.609 174.053 176.600 0.104 0.000 0.933 146 K CA -1.400 55.014 56.287 0.213 0.000 0.798 146 K CB 4.113 36.690 32.500 0.128 0.000 1.238 146 K HN 0.076 8.410 8.250 0.140 0.000 0.428 147 W N 5.336 126.453 121.300 -0.306 0.000 3.042 147 W HA 0.252 nan 4.660 nan 0.000 0.337 147 W C -3.139 173.196 176.519 -0.307 0.000 1.086 147 W CA -1.200 55.818 57.345 -0.546 0.000 1.236 147 W CB 3.905 32.469 29.460 -1.492 0.000 1.381 147 W HN 0.005 8.241 8.180 0.093 0.000 0.472 148 R N 5.929 126.301 120.500 -0.213 0.000 2.387 148 R HA 0.610 nan 4.340 nan 0.000 0.314 148 R C -1.599 174.651 176.300 -0.083 0.000 0.958 148 R CA -1.198 54.853 56.100 -0.082 0.000 0.846 148 R CB 2.711 32.955 30.300 -0.093 0.000 1.147 148 R HN -0.084 8.132 8.270 -0.499 -0.246 0.447 149 C N 7.443 126.776 119.300 0.054 0.000 2.411 149 C HA 0.703 nan 4.460 nan 0.000 0.330 149 C C -1.608 173.391 174.990 0.016 0.000 1.224 149 C CA -0.650 58.403 59.018 0.058 0.000 1.770 149 C CB 2.268 30.079 27.740 0.118 0.000 2.297 149 C HN 0.596 8.873 8.230 0.079 0.000 0.507 150 V N 2.978 122.892 119.914 -0.000 0.000 2.540 150 V HA 0.803 nan 4.120 nan 0.000 0.302 150 V C -1.733 174.356 176.094 -0.007 0.000 1.035 150 V CA -0.861 61.434 62.300 -0.009 0.000 0.873 150 V CB 1.625 33.435 31.823 -0.022 0.000 0.992 150 V HN 0.488 8.678 8.190 0.001 0.000 0.428 151 L N 5.090 126.306 121.223 -0.011 0.000 2.371 151 L HA 0.524 nan 4.340 nan 0.000 0.262 151 L C -2.072 174.781 176.870 -0.029 0.000 1.006 151 L CA -0.498 54.333 54.840 -0.016 0.000 0.818 151 L CB 4.340 46.391 42.059 -0.014 0.000 1.354 151 L HN 1.002 9.225 8.230 -0.012 0.000 0.415 152 K N -1.092 119.287 120.400 -0.035 0.000 2.375 152 K HA 0.513 nan 4.320 nan 0.000 0.249 152 K C -1.173 175.382 176.600 -0.075 0.000 0.942 152 K CA -1.749 54.506 56.287 -0.053 0.000 0.806 152 K CB 2.970 35.444 32.500 -0.042 0.000 1.227 152 K HN 0.187 8.421 8.250 -0.026 0.000 0.430 153 I N 2.107 122.597 120.570 -0.132 0.000 2.342 153 I HA 0.316 nan 4.170 nan 0.000 0.291 153 I C -0.458 175.575 176.117 -0.141 0.000 1.010 153 I CA -0.273 60.909 61.300 -0.197 0.000 1.308 153 I CB 0.618 38.333 38.000 -0.476 0.000 1.400 153 I HN 0.579 8.707 8.210 -0.137 0.000 0.488 154 G N 4.602 113.340 108.800 -0.103 0.000 2.554 154 G HA2 0.204 nan 3.960 nan 0.000 0.306 154 G HA3 0.204 nan 3.960 nan 0.000 0.306 154 G C -0.615 174.218 174.900 -0.111 0.000 1.320 154 G CA 0.409 45.456 45.100 -0.089 0.000 0.800 154 G HN 0.051 8.199 8.290 -0.091 0.087 0.481 155 E N -0.807 119.277 120.200 -0.193 0.000 2.086 155 E HA -0.238 nan 4.350 nan 0.000 0.200 155 E C -0.253 176.170 176.600 -0.296 0.000 1.012 155 E CA 2.629 58.832 56.400 -0.328 0.000 0.812 155 E CB -0.401 28.947 29.700 -0.586 0.000 0.743 155 E HN 0.443 8.692 8.360 -0.185 0.000 0.453 156 H N -4.292 114.775 119.070 -0.004 0.000 2.785 156 H HA 0.346 nan 4.556 nan 0.000 0.268 156 H C -1.200 174.126 175.328 -0.003 0.000 1.153 156 H CA -1.241 54.806 56.048 -0.001 0.000 1.111 156 H CB 0.799 30.561 29.762 0.001 0.000 1.633 156 H HN -0.180 7.948 8.280 -0.229 0.015 0.576 157 T N -0.806 113.779 114.554 0.052 0.000 2.893 157 T HA 0.453 nan 4.350 nan 0.000 0.291 157 T C -2.482 172.215 174.700 -0.005 0.000 1.028 157 T CA -3.244 58.871 62.100 0.025 0.000 0.995 157 T CB 1.757 70.628 68.868 0.005 0.000 1.051 157 T HN -0.719 7.394 8.240 -0.004 0.125 0.470 158 P HA 0.196 nan 4.420 nan 0.000 0.279 158 P C -0.768 176.548 177.300 0.026 0.000 1.239 158 P CA -0.975 62.130 63.100 0.008 0.000 0.789 158 P CB 0.924 32.621 31.700 -0.005 0.000 0.933 159 S N 1.347 117.065 115.700 0.030 0.000 2.632 159 S HA 0.098 nan 4.470 nan 0.000 0.267 159 S C 1.296 175.909 174.600 0.021 0.000 1.276 159 S CA -1.120 57.099 58.200 0.032 0.000 0.998 159 S CB 2.258 65.476 63.200 0.031 0.000 0.953 159 S HN 0.079 8.873 8.310 0.026 -0.468 0.547 160 A N 2.222 125.054 122.820 0.019 0.000 1.940 160 A HA -0.195 nan 4.320 nan 0.000 0.219 160 A C 2.144 179.735 177.584 0.011 0.000 1.176 160 A CA 3.103 55.149 52.037 0.014 0.000 0.631 160 A CB -0.798 18.211 19.000 0.013 0.000 0.814 160 A HN 0.736 8.899 8.150 0.022 0.000 0.446 161 L N -0.916 120.314 121.223 0.012 0.000 2.017 161 L HA -0.274 nan 4.340 nan 0.000 0.208 161 L C 1.633 178.510 176.870 0.012 0.000 1.073 161 L CA 2.304 57.151 54.840 0.012 0.000 0.745 161 L CB -0.531 41.535 42.059 0.012 0.000 0.894 161 L HN -0.601 7.620 8.230 0.012 0.016 0.432 162 A N -0.780 122.048 122.820 0.013 0.000 1.902 162 A HA -0.337 nan 4.320 nan 0.000 0.217 162 A C 2.312 179.901 177.584 0.008 0.000 1.181 162 A CA 3.059 55.104 52.037 0.012 0.000 0.623 162 A CB -0.881 18.126 19.000 0.011 0.000 0.818 162 A HN -0.606 7.552 8.150 0.014 0.000 0.443 163 I N -0.992 119.580 120.570 0.004 0.000 2.142 163 I HA -0.594 nan 4.170 nan 0.000 0.240 163 I C 1.722 177.836 176.117 -0.006 0.000 1.078 163 I CA 4.276 65.573 61.300 -0.004 0.000 1.343 163 I CB -0.038 37.958 38.000 -0.007 0.000 1.046 163 I HN -0.184 8.030 8.210 0.006 0.000 0.405 164 M N 0.050 119.650 119.600 -0.000 0.000 2.086 164 M HA -0.493 nan 4.480 nan 0.000 0.261 164 M C 1.780 178.081 176.300 0.002 0.000 1.067 164 M CA 4.112 59.412 55.300 0.001 0.000 1.116 164 M CB -0.014 32.591 32.600 0.008 0.000 1.348 164 M HN -0.147 8.144 8.290 0.003 0.000 0.407 165 E N -0.525 119.680 120.200 0.009 0.000 2.051 165 E HA -0.381 nan 4.350 nan 0.000 0.192 165 E C 2.350 178.959 176.600 0.014 0.000 0.991 165 E CA 3.036 59.445 56.400 0.016 0.000 0.799 165 E CB -0.614 29.100 29.700 0.024 0.000 0.748 165 E HN 0.161 8.527 8.360 0.011 0.000 0.449 166 N N -0.693 118.016 118.700 0.016 0.000 2.142 166 N HA -0.283 nan 4.740 nan 0.000 0.186 166 N C 2.223 177.721 175.510 -0.019 0.000 1.023 166 N CA 3.178 56.243 53.050 0.024 0.000 0.852 166 N CB 0.016 38.520 38.487 0.028 0.000 0.998 166 N HN -0.184 8.204 8.380 0.014 0.000 0.424 167 A N -0.371 122.425 122.820 -0.041 0.000 1.933 167 A HA -0.271 nan 4.320 nan 0.000 0.218 167 A C 2.080 179.591 177.584 -0.121 0.000 1.175 167 A CA 3.100 55.087 52.037 -0.083 0.000 0.628 167 A CB -0.537 18.423 19.000 -0.065 0.000 0.814 167 A HN 0.056 8.191 8.150 -0.026 0.000 0.444 168 N N -1.812 116.835 118.700 -0.087 0.000 2.171 168 N HA -0.217 nan 4.740 nan 0.000 0.184 168 N C 2.090 177.460 175.510 -0.233 0.000 1.021 168 N CA 3.019 55.994 53.050 -0.125 0.000 0.854 168 N CB 0.400 38.882 38.487 -0.008 0.000 0.994 168 N HN -0.357 7.985 8.380 -0.046 0.011 0.426 169 V N 1.097 120.924 119.914 -0.144 0.000 2.427 169 V HA -0.325 nan 4.120 nan 0.000 0.248 169 V C 1.282 177.140 176.094 -0.395 0.000 1.051 169 V CA 3.413 65.606 62.300 -0.177 0.000 1.048 169 V CB -0.545 31.296 31.823 0.030 0.000 0.666 169 V HN -0.221 7.925 8.190 -0.074 0.000 0.456 170 L N -1.405 119.628 121.223 -0.317 0.000 2.083 170 L HA -0.418 nan 4.340 nan 0.000 0.209 170 L C 1.809 178.505 176.870 -0.290 0.000 1.083 170 L CA 3.420 58.058 54.840 -0.337 0.000 0.752 170 L CB -0.701 41.253 42.059 -0.176 0.000 0.899 170 L HN -0.116 7.998 8.230 -0.193 0.000 0.433 171 A N -1.366 121.228 122.820 -0.377 0.000 1.930 171 A HA -0.283 nan 4.320 nan 0.000 0.217 171 A C 2.228 179.509 177.584 -0.506 0.000 1.175 171 A CA 3.120 54.877 52.037 -0.467 0.000 0.627 171 A CB -0.847 17.751 19.000 -0.670 0.000 0.815 171 A HN -0.293 7.558 8.150 -0.365 0.080 0.443 172 R N -1.328 118.851 120.500 -0.535 0.000 2.073 172 R HA -0.293 nan 4.340 nan 0.000 0.234 172 R C 2.013 178.153 176.300 -0.268 0.000 1.134 172 R CA 2.509 58.411 56.100 -0.329 0.000 0.952 172 R CB -0.465 29.692 30.300 -0.237 0.000 0.850 172 R HN -0.403 7.452 8.270 -0.550 0.085 0.433 173 Y N 0.697 120.672 120.300 -0.542 0.000 2.128 173 Y HA -0.456 nan 4.550 nan 0.000 0.284 173 Y C 1.103 176.827 175.900 -0.292 0.000 1.154 173 Y CA 3.248 61.015 58.100 -0.555 0.000 1.149 173 Y CB -0.563 37.203 38.460 -1.156 0.000 0.976 173 Y HN -0.211 7.807 8.280 -0.437 0.000 0.505 174 A N -2.139 120.237 122.820 -0.740 0.000 1.908 174 A HA -0.467 nan 4.320 nan 0.000 0.218 174 A C 2.040 179.409 177.584 -0.359 0.000 1.181 174 A CA 3.058 54.687 52.037 -0.680 0.000 0.627 174 A CB -1.302 17.468 19.000 -0.383 0.000 0.818 174 A HN -0.019 7.858 8.150 -0.455 0.000 0.445 175 S N -1.069 114.494 115.700 -0.229 0.000 2.359 175 S HA -0.295 nan 4.470 nan 0.000 0.224 175 S C 2.152 176.701 174.600 -0.084 0.000 1.035 175 S CA 3.270 61.412 58.200 -0.096 0.000 1.018 175 S CB -0.213 62.972 63.200 -0.024 0.000 0.876 175 S HN -0.410 7.748 8.310 -0.253 0.000 0.448 176 I N 0.950 121.457 120.570 -0.104 0.000 2.226 176 I HA -0.530 nan 4.170 nan 0.000 0.245 176 I C 1.605 177.688 176.117 -0.056 0.000 1.100 176 I CA 3.940 65.209 61.300 -0.053 0.000 1.374 176 I CB -0.050 37.937 38.000 -0.021 0.000 1.057 176 I HN -0.440 7.686 8.210 -0.139 0.000 0.413 177 C N -0.672 118.547 119.300 -0.135 0.000 2.436 177 C HA -0.444 nan 4.460 nan 0.000 0.277 177 C C 2.565 177.524 174.990 -0.051 0.000 1.241 177 C CA 4.189 63.147 59.018 -0.100 0.000 1.721 177 C CB -1.736 25.864 27.740 -0.234 0.000 2.043 177 C HN -0.190 7.893 8.230 -0.245 0.000 0.472 178 Q N -1.750 118.010 119.800 -0.066 0.000 2.226 178 Q HA -0.364 nan 4.340 nan 0.000 0.204 178 Q C 3.163 179.163 176.000 0.001 0.000 0.975 178 Q CA 3.069 58.866 55.803 -0.010 0.000 0.866 178 Q CB -0.459 28.286 28.738 0.012 0.000 0.915 178 Q HN -0.063 8.136 8.270 -0.118 0.000 0.440 179 Q N -1.354 118.442 119.800 -0.006 0.000 2.297 179 Q HA -0.136 nan 4.340 nan 0.000 0.204 179 Q C 0.890 176.895 176.000 0.007 0.000 0.962 179 Q CA 1.828 57.632 55.803 0.001 0.000 0.879 179 Q CB -0.291 28.448 28.738 0.002 0.000 0.947 179 Q HN -0.374 7.757 8.270 -0.018 0.128 0.462 180 N N -2.457 116.251 118.700 0.013 0.000 2.238 180 N HA 0.176 nan 4.740 nan 0.000 0.222 180 N C -0.602 174.929 175.510 0.035 0.000 1.133 180 N CA -0.591 52.474 53.050 0.026 0.000 0.854 180 N CB 0.356 38.865 38.487 0.036 0.000 1.041 180 N HN -0.521 7.708 8.380 0.008 0.155 0.510 181 G N -2.120 106.699 108.800 0.031 0.000 2.179 181 G HA2 -0.345 nan 3.960 nan 0.000 0.257 181 G HA3 -0.345 nan 3.960 nan 0.000 0.257 181 G C -0.997 173.938 174.900 0.058 0.000 1.010 181 G CA 0.600 45.725 45.100 0.042 0.000 0.736 181 G HN -0.538 7.696 8.290 0.022 0.069 0.513 182 I N -0.101 120.502 120.570 0.055 0.000 2.378 182 I HA 0.286 nan 4.170 nan 0.000 0.291 182 I C -0.730 175.424 176.117 0.062 0.000 0.992 182 I CA -0.728 60.616 61.300 0.073 0.000 1.154 182 I CB 1.840 39.888 38.000 0.079 0.000 1.315 182 I HN -0.590 7.609 8.210 0.039 0.035 0.448 183 V N 8.293 128.271 119.914 0.107 0.000 2.439 183 V HA 0.154 nan 4.120 nan 0.000 0.271 183 V C -1.844 174.308 176.094 0.095 0.000 1.040 183 V CA -2.784 59.565 62.300 0.082 0.000 1.002 183 V CB -0.237 31.630 31.823 0.073 0.000 1.000 183 V HN 0.632 8.911 8.190 0.149 0.000 0.477 184 P HA 0.493 nan 4.420 nan 0.000 0.292 184 P C -1.418 175.943 177.300 0.101 0.000 1.287 184 P CA -1.337 61.745 63.100 -0.030 0.000 0.800 184 P CB 0.739 32.159 31.700 -0.466 0.000 0.945 185 I N 3.714 124.449 120.570 0.275 0.000 2.312 185 I HA 0.216 nan 4.170 nan 0.000 0.291 185 I C -0.106 176.164 176.117 0.255 0.000 1.031 185 I CA -0.630 60.786 61.300 0.192 0.000 1.293 185 I CB 0.715 38.833 38.000 0.197 0.000 1.403 185 I HN 0.278 8.733 8.210 0.407 0.000 0.484 186 V N 10.049 130.042 119.914 0.132 0.000 2.389 186 V HA 0.040 nan 4.120 nan 0.000 0.264 186 V C -1.658 174.461 176.094 0.042 0.000 1.049 186 V CA -0.091 62.270 62.300 0.102 0.000 0.932 186 V CB -0.599 31.203 31.823 -0.036 0.000 1.011 186 V HN 0.999 9.219 8.190 0.050 0.000 0.475 187 E N 8.385 128.628 120.200 0.071 0.000 2.256 187 E HA 0.601 nan 4.350 nan 0.000 0.243 187 E C -2.728 173.896 176.600 0.040 0.000 0.925 187 E CA -3.987 52.442 56.400 0.047 0.000 0.748 187 E CB 2.745 32.481 29.700 0.061 0.000 1.206 187 E HN -0.105 8.322 8.360 0.111 0.000 0.428 188 P HA 0.218 nan 4.420 nan 0.000 0.227 188 P C -1.777 175.530 177.300 0.012 0.000 1.815 188 P CA -0.893 62.211 63.100 0.006 0.000 1.134 188 P CB -0.603 31.082 31.700 -0.025 0.000 1.795 189 E N 3.945 124.157 120.200 0.019 0.000 2.223 189 E HA 0.043 nan 4.350 nan 0.000 0.282 189 E C -1.389 175.217 176.600 0.009 0.000 1.046 189 E CA -0.838 55.575 56.400 0.022 0.000 0.857 189 E CB 1.080 30.794 29.700 0.024 0.000 1.055 189 E HN 0.165 8.539 8.360 0.022 0.000 0.409 190 I N 6.894 127.471 120.570 0.011 0.000 2.304 190 I HA 0.187 nan 4.170 nan 0.000 0.291 190 I C 0.046 176.159 176.117 -0.007 0.000 1.018 190 I CA -0.780 60.516 61.300 -0.007 0.000 1.260 190 I CB 0.641 38.636 38.000 -0.009 0.000 1.390 190 I HN -0.118 8.366 8.210 0.024 -0.260 0.475 191 L N 8.223 129.430 121.223 -0.026 0.000 2.483 191 L HA 0.010 nan 4.340 nan 0.000 0.276 191 L C -0.092 176.751 176.870 -0.045 0.000 1.213 191 L CA -0.831 53.983 54.840 -0.045 0.000 0.843 191 L CB -0.630 41.394 42.059 -0.058 0.000 1.107 191 L HN 0.498 8.710 8.230 -0.031 0.000 0.487 192 P HA 0.077 nan 4.420 nan 0.000 0.249 192 P C -1.133 176.015 177.300 -0.253 0.000 1.229 192 P CA -0.037 62.970 63.100 -0.154 0.000 0.788 192 P CB 0.267 31.796 31.700 -0.286 0.000 1.072 193 D N 0.503 120.769 120.400 -0.223 0.000 2.449 193 D HA -0.167 nan 4.640 nan 0.000 0.236 193 D C -0.160 176.154 176.300 0.022 0.000 1.149 193 D CA 2.700 56.604 54.000 -0.160 0.000 0.878 193 D CB 0.158 40.893 40.800 -0.109 0.000 1.198 193 D HN -0.483 7.710 8.370 -0.188 0.064 0.446 194 G N -1.068 107.701 108.800 -0.052 0.000 2.479 194 G HA2 -0.262 nan 3.960 nan 0.000 0.686 194 G HA3 -0.262 nan 3.960 nan 0.000 0.686 194 G C -2.180 172.625 174.900 -0.158 0.000 1.295 194 G CA -0.452 44.649 45.100 0.003 0.000 0.922 194 G HN -0.404 7.817 8.290 -0.116 0.000 0.582 195 D N -3.448 116.887 120.400 -0.109 0.000 2.424 195 D HA 0.056 nan 4.640 nan 0.000 0.220 195 D C -0.679 175.542 176.300 -0.132 0.000 1.150 195 D CA -0.584 53.309 54.000 -0.179 0.000 0.831 195 D CB -0.713 40.012 40.800 -0.125 0.000 0.981 195 D HN 0.158 8.518 8.370 -0.016 0.000 0.500 196 H N -2.918 116.128 119.070 -0.041 0.000 2.771 196 H HA -0.031 nan 4.556 nan 0.000 0.364 196 H C -0.195 175.143 175.328 0.017 0.000 1.133 196 H CA -1.355 54.684 56.048 -0.014 0.000 1.423 196 H CB 1.143 30.893 29.762 -0.019 0.000 1.425 196 H HN -0.461 7.655 8.280 -0.130 0.087 0.606 197 D N 0.005 120.477 120.400 0.119 0.000 2.433 197 D HA -0.021 nan 4.640 nan 0.000 0.255 197 D C 0.810 177.156 176.300 0.077 0.000 1.226 197 D CA -0.872 53.202 54.000 0.124 0.000 1.015 197 D CB 0.842 41.757 40.800 0.193 0.000 1.091 197 D HN 0.172 8.630 8.370 0.147 0.000 0.527 198 L N -0.923 120.249 121.223 -0.085 0.000 2.012 198 L HA -0.316 nan 4.340 nan 0.000 0.210 198 L C 1.576 178.418 176.870 -0.046 0.000 1.073 198 L CA 3.574 58.264 54.840 -0.250 0.000 0.748 198 L CB 0.118 41.741 42.059 -0.727 0.000 0.891 198 L HN -0.223 7.999 8.230 -0.013 0.000 0.431 199 K N -2.330 118.081 120.400 0.019 0.000 2.103 199 K HA -0.400 nan 4.320 nan 0.000 0.207 199 K C 2.513 179.169 176.600 0.094 0.000 1.048 199 K CA 2.842 59.166 56.287 0.061 0.000 0.930 199 K CB -0.757 31.783 32.500 0.067 0.000 0.716 199 K HN -0.036 8.239 8.250 0.041 0.000 0.444 200 R N -0.166 120.393 120.500 0.098 0.000 2.073 200 R HA -0.228 nan 4.340 nan 0.000 0.234 200 R C 2.012 178.376 176.300 0.107 0.000 1.134 200 R CA 3.049 59.208 56.100 0.100 0.000 0.952 200 R CB -0.449 29.920 30.300 0.116 0.000 0.850 200 R HN -0.206 8.308 8.270 0.103 -0.182 0.433 201 C N -0.397 118.978 119.300 0.126 0.000 2.429 201 C HA -0.261 nan 4.460 nan 0.000 0.277 201 C C 1.787 176.818 174.990 0.069 0.000 1.262 201 C CA 3.108 62.175 59.018 0.080 0.000 1.733 201 C CB -1.976 25.844 27.740 0.133 0.000 2.010 201 C HN -0.403 7.935 8.230 0.181 0.000 0.483 202 Q N 0.385 120.232 119.800 0.078 0.000 2.061 202 Q HA -0.428 nan 4.340 nan 0.000 0.204 202 Q C 1.666 177.723 176.000 0.095 0.000 0.984 202 Q CA 3.556 59.403 55.803 0.074 0.000 0.846 202 Q CB -0.193 28.588 28.738 0.071 0.000 0.902 202 Q HN -0.004 8.239 8.270 0.074 0.072 0.421 203 Y N -0.092 120.213 120.300 0.009 0.000 2.097 203 Y HA -0.507 nan 4.550 nan 0.000 0.282 203 Y C 2.062 177.962 175.900 0.000 0.000 1.152 203 Y CA 4.023 62.128 58.100 0.008 0.000 1.136 203 Y CB 0.124 38.589 38.460 0.007 0.000 0.975 203 Y HN -0.201 8.226 8.280 0.246 0.000 0.498 204 V N -2.077 117.891 119.914 0.090 0.000 2.343 204 V HA -0.564 nan 4.120 nan 0.000 0.247 204 V C 2.093 178.153 176.094 -0.056 0.000 1.051 204 V CA 4.617 66.912 62.300 -0.008 0.000 1.036 204 V CB -1.266 30.559 31.823 0.004 0.000 0.654 204 V HN -0.105 8.197 8.190 0.186 0.000 0.451 205 T N 2.020 116.560 114.554 -0.024 0.000 2.746 205 T HA -0.380 nan 4.350 nan 0.000 0.267 205 T C 1.769 176.448 174.700 -0.035 0.000 1.039 205 T CA 5.377 67.468 62.100 -0.014 0.000 1.142 205 T CB -0.647 68.232 68.868 0.018 0.000 0.866 205 T HN 0.205 8.448 8.240 0.005 0.000 0.444 206 E N 1.114 121.274 120.200 -0.066 0.000 2.077 206 E HA -0.381 nan 4.350 nan 0.000 0.193 206 E C 2.495 179.027 176.600 -0.113 0.000 0.989 206 E CA 3.328 59.680 56.400 -0.080 0.000 0.800 206 E CB -0.229 29.409 29.700 -0.103 0.000 0.746 206 E HN -0.076 8.244 8.360 -0.066 0.000 0.452 207 K N -1.037 119.245 120.400 -0.197 0.000 2.057 207 K HA -0.182 nan 4.320 nan 0.000 0.206 207 K C 2.678 179.227 176.600 -0.084 0.000 1.050 207 K CA 2.210 58.390 56.287 -0.177 0.000 0.935 207 K CB -0.548 31.804 32.500 -0.248 0.000 0.715 207 K HN -0.409 7.688 8.250 -0.256 0.000 0.439 208 V N 0.820 120.694 119.914 -0.067 0.000 2.261 208 V HA -0.339 nan 4.120 nan 0.000 0.246 208 V C 1.989 178.070 176.094 -0.022 0.000 1.047 208 V CA 4.666 66.942 62.300 -0.039 0.000 1.015 208 V CB -0.616 31.188 31.823 -0.032 0.000 0.642 208 V HN 0.052 8.193 8.190 -0.081 0.000 0.446 209 L N -2.238 118.986 121.223 0.002 0.000 2.083 209 L HA -0.442 nan 4.340 nan 0.000 0.209 209 L C 1.931 178.878 176.870 0.129 0.000 1.083 209 L CA 3.299 58.180 54.840 0.068 0.000 0.752 209 L CB -1.020 41.100 42.059 0.101 0.000 0.899 209 L HN 0.064 8.289 8.230 -0.008 0.000 0.433 210 A N -1.334 121.526 122.820 0.066 0.000 1.902 210 A HA -0.384 nan 4.320 nan 0.000 0.217 210 A C 1.764 179.381 177.584 0.055 0.000 1.181 210 A CA 3.121 55.200 52.037 0.070 0.000 0.623 210 A CB -1.114 17.894 19.000 0.013 0.000 0.818 210 A HN -0.160 8.001 8.150 0.020 0.000 0.443 211 A N -2.127 120.699 122.820 0.010 0.000 1.898 211 A HA -0.243 nan 4.320 nan 0.000 0.216 211 A C 2.065 179.626 177.584 -0.038 0.000 1.181 211 A CA 3.015 55.047 52.037 -0.009 0.000 0.620 211 A CB -0.599 18.388 19.000 -0.021 0.000 0.819 211 A HN -0.528 7.530 8.150 -0.003 0.090 0.442 212 V N 0.013 119.877 119.914 -0.083 0.000 2.287 212 V HA -0.469 nan 4.120 nan 0.000 0.248 212 V C 1.996 177.900 176.094 -0.318 0.000 1.053 212 V CA 4.919 67.086 62.300 -0.223 0.000 1.027 212 V CB -0.948 30.682 31.823 -0.321 0.000 0.646 212 V HN -0.159 7.927 8.190 -0.055 0.071 0.447 213 Y N -1.999 118.282 120.300 -0.032 0.000 2.293 213 Y HA -0.399 nan 4.550 nan 0.000 0.291 213 Y C 1.999 177.893 175.900 -0.010 0.000 1.137 213 Y CA 3.793 61.878 58.100 -0.024 0.000 1.202 213 Y CB -0.729 37.717 38.460 -0.024 0.000 0.990 213 Y HN -0.050 8.233 8.280 0.004 0.000 0.537 214 K N 0.094 120.546 120.400 0.087 0.000 2.097 214 K HA -0.348 nan 4.320 nan 0.000 0.205 214 K C 1.913 178.533 176.600 0.032 0.000 1.050 214 K CA 1.893 58.214 56.287 0.057 0.000 0.938 214 K CB -0.796 31.727 32.500 0.038 0.000 0.718 214 K HN -0.345 7.952 8.250 0.078 0.000 0.442 215 A N -0.479 122.344 122.820 0.006 0.000 1.898 215 A HA -0.186 nan 4.320 nan 0.000 0.216 215 A C 2.261 179.877 177.584 0.053 0.000 1.181 215 A CA 3.068 55.128 52.037 0.038 0.000 0.620 215 A CB -0.884 18.096 19.000 -0.034 0.000 0.819 215 A HN -0.235 7.902 8.150 -0.020 0.000 0.442 216 L N -2.694 118.502 121.223 -0.044 0.000 2.079 216 L HA -0.455 nan 4.340 nan 0.000 0.210 216 L C 2.178 179.071 176.870 0.037 0.000 1.081 216 L CA 2.997 57.816 54.840 -0.035 0.000 0.752 216 L CB -0.730 41.272 42.059 -0.094 0.000 0.896 216 L HN 0.151 8.319 8.230 -0.102 0.000 0.433 217 S N -0.645 115.085 115.700 0.052 0.000 2.355 217 S HA -0.300 nan 4.470 nan 0.000 0.222 217 S C 2.858 177.441 174.600 -0.029 0.000 1.031 217 S CA 3.755 61.987 58.200 0.053 0.000 0.993 217 S CB -0.494 62.745 63.200 0.065 0.000 0.859 217 S HN -0.135 8.206 8.310 0.056 0.003 0.453 218 D N 2.345 122.711 120.400 -0.056 0.000 2.149 218 D HA -0.201 nan 4.640 nan 0.000 0.198 218 D C 1.704 177.700 176.300 -0.508 0.000 0.990 218 D CA 2.693 56.570 54.000 -0.206 0.000 0.839 218 D CB -0.108 40.614 40.800 -0.130 0.000 0.948 218 D HN -0.102 8.205 8.370 0.001 0.063 0.460 219 H N -3.572 115.304 119.070 -0.323 0.000 2.524 219 H HA 0.137 nan 4.556 nan 0.000 0.280 219 H C -1.061 174.115 175.328 -0.254 0.000 1.018 219 H CA 0.357 56.209 56.048 -0.327 0.000 1.165 219 H CB 0.343 30.008 29.762 -0.161 0.000 1.411 219 H HN -0.466 7.825 8.280 0.051 0.021 0.569 220 H N -5.671 113.451 119.070 0.087 0.000 2.826 220 H HA -0.342 nan 4.556 nan 0.000 0.306 220 H C -0.529 174.850 175.328 0.085 0.000 1.235 220 H CA 0.716 56.807 56.048 0.072 0.000 1.150 220 H CB -2.681 27.112 29.762 0.052 0.000 1.409 220 H HN -0.420 7.480 8.280 -0.292 0.205 0.420 221 I N -1.233 119.426 120.570 0.149 0.000 2.529 221 I HA -0.106 nan 4.170 nan 0.000 0.284 221 I C -0.173 176.052 176.117 0.180 0.000 1.082 221 I CA -2.013 59.359 61.300 0.120 0.000 1.406 221 I CB -0.231 37.790 38.000 0.035 0.000 1.405 221 I HN -0.160 8.116 8.210 0.111 0.000 0.548 222 Y N 8.390 128.710 120.300 0.033 0.000 2.600 222 Y HA 0.063 nan 4.550 nan 0.000 0.351 222 Y C -0.272 175.648 175.900 0.034 0.000 1.042 222 Y CA -1.380 56.741 58.100 0.036 0.000 1.333 222 Y CB -0.526 37.950 38.460 0.025 0.000 1.172 222 Y HN 0.049 8.818 8.280 0.247 -0.341 0.517 223 L N 7.681 128.829 121.223 -0.127 0.000 2.079 223 L HA -0.527 nan 4.340 nan 0.000 0.210 223 L C 1.614 178.300 176.870 -0.307 0.000 1.081 223 L CA 3.320 58.077 54.840 -0.140 0.000 0.752 223 L CB -0.746 41.297 42.059 -0.026 0.000 0.896 223 L HN 0.188 8.412 8.230 -0.009 0.000 0.433 224 E N -1.676 118.146 120.200 -0.631 0.000 2.265 224 E HA -0.172 nan 4.350 nan 0.000 0.196 224 E C 1.304 177.619 176.600 -0.475 0.000 0.996 224 E CA 2.420 58.487 56.400 -0.553 0.000 0.832 224 E CB -0.708 28.634 29.700 -0.596 0.000 0.756 224 E HN 0.410 8.258 8.360 -0.854 0.000 0.491 225 G N -2.912 105.555 108.800 -0.555 0.000 3.702 225 G HA2 0.177 nan 3.960 nan 0.000 0.288 225 G HA3 0.177 nan 3.960 nan 0.000 0.288 225 G C -0.973 173.880 174.900 -0.080 0.000 1.193 225 G CA -0.689 44.338 45.100 -0.121 0.000 0.952 225 G HN -0.477 7.148 8.290 -0.829 0.167 0.544 226 T N -2.762 111.712 114.554 -0.132 0.000 2.864 226 T HA 0.431 nan 4.350 nan 0.000 0.299 226 T C -1.984 172.646 174.700 -0.116 0.000 1.166 226 T CA -2.089 59.955 62.100 -0.093 0.000 1.007 226 T CB 3.127 71.954 68.868 -0.068 0.000 1.219 226 T HN -0.711 7.342 8.240 -0.185 0.077 0.506 227 L N -1.548 119.616 121.223 -0.098 0.000 2.388 227 L HA 0.919 nan 4.340 nan 0.000 0.264 227 L C -2.228 174.580 176.870 -0.104 0.000 0.998 227 L CA -1.105 53.654 54.840 -0.135 0.000 0.817 227 L CB 4.403 46.359 42.059 -0.172 0.000 1.338 227 L HN -0.111 8.082 8.230 -0.063 0.000 0.414 228 L N 1.655 122.786 121.223 -0.154 0.000 2.329 228 L HA 0.670 nan 4.340 nan 0.000 0.279 228 L C -2.482 174.268 176.870 -0.199 0.000 1.014 228 L CA -1.229 53.524 54.840 -0.146 0.000 0.814 228 L CB 3.255 45.221 42.059 -0.154 0.000 1.257 228 L HN 0.644 8.749 8.230 -0.209 0.000 0.424 229 K N 7.276 127.602 120.400 -0.125 0.000 2.562 229 K HA 0.457 nan 4.320 nan 0.000 0.206 229 K C -2.405 174.161 176.600 -0.055 0.000 1.033 229 K CA -3.311 52.913 56.287 -0.104 0.000 1.029 229 K CB 0.760 33.248 32.500 -0.019 0.000 1.393 229 K HN 0.512 8.715 8.250 -0.077 0.000 0.539 230 P HA 0.252 nan 4.420 nan 0.000 0.289 230 P C -1.828 175.568 177.300 0.160 0.000 1.300 230 P CA -1.603 61.507 63.100 0.018 0.000 0.828 230 P CB 1.839 33.530 31.700 -0.014 0.000 1.235 231 N N -2.742 116.054 118.700 0.159 0.000 2.524 231 N HA 0.089 nan 4.740 nan 0.000 0.283 231 N C -0.629 175.024 175.510 0.238 0.000 1.142 231 N CA -0.867 52.294 53.050 0.185 0.000 0.984 231 N CB 0.550 39.101 38.487 0.106 0.000 1.155 231 N HN 0.086 8.529 8.380 0.106 0.000 0.467 232 M N -0.780 118.937 119.600 0.195 0.000 2.226 232 M HA -0.028 nan 4.480 nan 0.000 0.324 232 M C -0.013 176.318 176.300 0.051 0.000 1.112 232 M CA 0.966 56.297 55.300 0.051 0.000 1.176 232 M CB 1.002 33.538 32.600 -0.106 0.000 1.430 232 M HN 0.309 8.709 8.290 0.184 0.000 0.462 233 V N 2.518 122.444 119.914 0.021 0.000 2.389 233 V HA 0.066 nan 4.120 nan 0.000 0.264 233 V C -0.767 175.309 176.094 -0.029 0.000 1.049 233 V CA -0.156 62.153 62.300 0.015 0.000 0.932 233 V CB -1.494 30.338 31.823 0.014 0.000 1.011 233 V HN 0.316 8.505 8.190 -0.002 0.000 0.475 234 T N 4.347 118.893 114.554 -0.014 0.000 2.901 234 T HA 0.551 nan 4.350 nan 0.000 0.293 234 T C -2.799 171.863 174.700 -0.063 0.000 1.084 234 T CA -3.490 58.577 62.100 -0.055 0.000 1.008 234 T CB 1.546 70.418 68.868 0.006 0.000 1.170 234 T HN -0.360 7.897 8.240 0.029 0.000 0.509 235 P HA 0.137 nan 4.420 nan 0.000 0.276 235 P C -0.638 176.536 177.300 -0.210 0.000 1.261 235 P CA -1.108 61.905 63.100 -0.145 0.000 0.800 235 P CB 0.923 32.596 31.700 -0.044 0.000 1.066 236 G N -2.477 105.933 108.800 -0.650 0.000 2.544 236 G HA2 -0.003 nan 3.960 nan 0.000 0.242 236 G HA3 -0.003 nan 3.960 nan 0.000 0.242 236 G C 1.064 175.814 174.900 -0.250 0.000 1.247 236 G CA -0.619 44.011 45.100 -0.783 0.000 0.840 236 G HN 0.374 8.132 8.290 -0.708 0.107 0.578 237 H N 4.383 123.280 119.070 -0.289 0.000 2.460 237 H HA -0.456 nan 4.556 nan 0.000 0.297 237 H C 0.067 175.098 175.328 -0.496 0.000 1.103 237 H CA 2.473 58.363 56.048 -0.263 0.000 1.292 237 H CB 0.045 29.691 29.762 -0.194 0.000 1.376 237 H HN 0.424 8.628 8.280 -0.126 0.000 0.531 238 A N -4.466 118.042 122.820 -0.519 0.000 2.500 238 A HA 0.143 nan 4.320 nan 0.000 0.267 238 A C -0.616 176.726 177.584 -0.403 0.000 1.290 238 A CA -0.850 50.618 52.037 -0.948 0.000 0.928 238 A CB 0.233 18.691 19.000 -0.903 0.000 1.066 238 A HN -0.461 7.424 8.150 -0.375 0.040 0.516 239 C N -0.560 118.602 119.300 -0.230 0.000 2.662 239 C HA -0.035 nan 4.460 nan 0.000 0.420 239 C C 1.724 176.706 174.990 -0.013 0.000 1.314 239 C CA 1.420 60.381 59.018 -0.095 0.000 1.963 239 C CB 1.001 28.723 27.740 -0.030 0.000 2.686 239 C HN -0.256 7.667 8.230 -0.233 0.168 0.609 240 T N 1.977 116.521 114.554 -0.017 0.000 3.107 240 T HA -0.023 nan 4.350 nan 0.000 0.249 240 T C -0.625 174.074 174.700 -0.001 0.000 1.096 240 T CA 0.375 62.471 62.100 -0.006 0.000 1.012 240 T CB -0.402 68.398 68.868 -0.113 0.000 0.977 240 T HN 0.124 8.343 8.240 -0.034 0.000 0.527 241 Q N 1.294 121.070 119.800 -0.040 0.000 2.243 241 Q HA 0.031 nan 4.340 nan 0.000 0.252 241 Q C -0.899 174.918 176.000 -0.305 0.000 0.909 241 Q CA -0.194 55.492 55.803 -0.195 0.000 0.922 241 Q CB 1.192 29.744 28.738 -0.310 0.000 1.215 241 Q HN -0.787 7.424 8.270 -0.001 0.058 0.427 242 K N 4.595 124.795 120.400 -0.334 0.000 2.172 242 K HA 0.122 nan 4.320 nan 0.000 0.276 242 K C -1.402 174.939 176.600 -0.432 0.000 1.013 242 K CA -0.197 55.941 56.287 -0.248 0.000 0.913 242 K CB 0.506 32.930 32.500 -0.127 0.000 1.055 242 K HN 0.246 8.323 8.250 -0.288 0.000 0.461 243 Y N 1.175 121.444 120.300 -0.052 0.000 2.545 243 Y HA 0.285 nan 4.550 nan 0.000 0.348 243 Y C -0.978 174.845 175.900 -0.128 0.000 1.002 243 Y CA -1.514 56.548 58.100 -0.065 0.000 1.039 243 Y CB 3.635 42.065 38.460 -0.050 0.000 1.271 243 Y HN 0.040 8.361 8.280 0.068 0.000 0.467 244 S N 0.241 115.976 115.700 0.058 0.000 2.687 244 S HA 0.344 nan 4.470 nan 0.000 0.283 244 S C 0.795 175.332 174.600 -0.105 0.000 1.170 244 S CA -1.215 56.934 58.200 -0.084 0.000 1.008 244 S CB 2.674 65.872 63.200 -0.004 0.000 1.026 244 S HN 0.440 9.156 8.310 0.134 -0.326 0.541 245 H N 2.574 121.679 119.070 0.058 0.000 2.456 245 H HA -0.182 nan 4.556 nan 0.000 0.296 245 H C 2.295 177.642 175.328 0.031 0.000 1.079 245 H CA 3.361 59.431 56.048 0.037 0.000 1.322 245 H CB -0.225 29.556 29.762 0.033 0.000 1.388 245 H HN 0.826 8.951 8.280 -0.258 0.000 0.538 246 E N -0.857 119.421 120.200 0.131 0.000 2.150 246 E HA -0.231 nan 4.350 nan 0.000 0.193 246 E C 2.310 178.950 176.600 0.067 0.000 0.985 246 E CA 3.352 59.806 56.400 0.091 0.000 0.814 246 E CB -1.020 28.726 29.700 0.077 0.000 0.752 246 E HN 0.671 9.078 8.360 0.119 0.024 0.466 247 E N -0.437 119.803 120.200 0.065 0.000 2.046 247 E HA -0.272 nan 4.350 nan 0.000 0.190 247 E C 2.484 179.087 176.600 0.005 0.000 0.982 247 E CA 2.792 59.226 56.400 0.057 0.000 0.800 247 E CB 0.020 29.792 29.700 0.121 0.000 0.756 247 E HN -0.729 7.551 8.360 0.069 0.121 0.449 248 I N -2.489 118.074 120.570 -0.012 0.000 2.286 248 I HA -0.385 nan 4.170 nan 0.000 0.248 248 I C 1.354 177.459 176.117 -0.019 0.000 1.115 248 I CA 3.487 64.760 61.300 -0.045 0.000 1.392 248 I CB -0.514 37.466 38.000 -0.033 0.000 1.065 248 I HN -0.561 7.657 8.210 0.013 0.000 0.418 249 A N 0.169 122.996 122.820 0.011 0.000 1.877 249 A HA -0.351 nan 4.320 nan 0.000 0.216 249 A C 1.723 179.326 177.584 0.032 0.000 1.186 249 A CA 3.107 55.151 52.037 0.013 0.000 0.620 249 A CB -0.934 18.089 19.000 0.038 0.000 0.822 249 A HN -0.117 8.050 8.150 0.037 0.005 0.443 250 M N -0.580 119.044 119.600 0.040 0.000 2.080 250 M HA -0.396 nan 4.480 nan 0.000 0.260 250 M C 1.950 178.279 176.300 0.049 0.000 1.068 250 M CA 2.102 57.431 55.300 0.049 0.000 1.109 250 M CB -0.468 32.161 32.600 0.048 0.000 1.342 250 M HN -0.143 8.170 8.290 0.040 0.000 0.405 251 A N -2.164 120.673 122.820 0.028 0.000 1.902 251 A HA -0.356 nan 4.320 nan 0.000 0.217 251 A C 2.072 179.681 177.584 0.041 0.000 1.181 251 A CA 3.529 55.580 52.037 0.024 0.000 0.623 251 A CB -1.052 17.937 19.000 -0.017 0.000 0.818 251 A HN 0.196 8.354 8.150 0.014 0.000 0.443 252 T N 2.345 116.919 114.554 0.034 0.000 2.701 252 T HA -0.295 nan 4.350 nan 0.000 0.263 252 T C 1.997 176.769 174.700 0.121 0.000 1.040 252 T CA 5.008 67.145 62.100 0.061 0.000 1.147 252 T CB -0.302 68.559 68.868 -0.012 0.000 0.865 252 T HN -0.175 8.073 8.240 0.012 0.000 0.426 253 V N 1.080 121.073 119.914 0.131 0.000 2.407 253 V HA -0.411 nan 4.120 nan 0.000 0.248 253 V C 1.772 177.977 176.094 0.185 0.000 1.055 253 V CA 4.892 67.312 62.300 0.200 0.000 1.049 253 V CB -1.088 30.843 31.823 0.181 0.000 0.662 253 V HN 0.245 8.491 8.190 0.093 0.000 0.455 254 T N 1.190 115.819 114.554 0.124 0.000 2.708 254 T HA -0.319 nan 4.350 nan 0.000 0.266 254 T C 1.411 176.172 174.700 0.102 0.000 1.037 254 T CA 5.033 67.197 62.100 0.106 0.000 1.146 254 T CB -0.625 68.289 68.868 0.077 0.000 0.865 254 T HN 0.192 8.493 8.240 0.102 0.000 0.435 255 A N 1.377 124.249 122.820 0.087 0.000 1.908 255 A HA -0.260 nan 4.320 nan 0.000 0.218 255 A C 1.895 179.516 177.584 0.061 0.000 1.181 255 A CA 3.170 55.246 52.037 0.064 0.000 0.627 255 A CB -0.934 18.099 19.000 0.055 0.000 0.818 255 A HN -0.232 7.969 8.150 0.085 0.000 0.445 256 L N -2.727 118.540 121.223 0.074 0.000 2.056 256 L HA -0.435 nan 4.340 nan 0.000 0.207 256 L C 2.473 179.449 176.870 0.177 0.000 1.078 256 L CA 3.028 57.864 54.840 -0.007 0.000 0.749 256 L CB -0.526 41.419 42.059 -0.191 0.000 0.901 256 L HN -0.206 8.086 8.230 0.104 0.000 0.433 257 R N -1.021 119.680 120.500 0.335 0.000 2.152 257 R HA -0.314 nan 4.340 nan 0.000 0.232 257 R C 2.208 178.610 176.300 0.170 0.000 1.117 257 R CA 3.182 59.481 56.100 0.332 0.000 0.981 257 R CB -0.284 30.141 30.300 0.208 0.000 0.870 257 R HN 0.062 8.508 8.270 0.293 0.000 0.451 258 R N -4.157 116.410 120.500 0.110 0.000 2.276 258 R HA 0.004 nan 4.340 nan 0.000 0.196 258 R C 0.680 177.001 176.300 0.035 0.000 0.961 258 R CA 1.741 57.877 56.100 0.060 0.000 1.024 258 R CB 0.354 30.681 30.300 0.045 0.000 0.940 258 R HN -0.289 8.024 8.270 0.112 0.024 0.480 259 T N -8.084 106.485 114.554 0.025 0.000 3.010 259 T HA 0.140 nan 4.350 nan 0.000 0.253 259 T C 0.105 174.706 174.700 -0.166 0.000 0.939 259 T CA 0.200 62.288 62.100 -0.020 0.000 0.910 259 T CB 1.688 70.567 68.868 0.018 0.000 1.226 259 T HN -0.527 7.570 8.240 0.049 0.172 0.508 260 V N 5.289 125.085 119.914 -0.197 0.000 2.368 260 V HA 0.400 nan 4.120 nan 0.000 0.266 260 V C -2.025 173.999 176.094 -0.117 0.000 1.045 260 V CA -2.731 59.286 62.300 -0.471 0.000 0.899 260 V CB -0.894 30.565 31.823 -0.606 0.000 1.006 260 V HN 0.086 8.136 8.190 -0.058 0.106 0.470 261 P HA 0.216 nan 4.420 nan 0.000 0.267 261 P C -1.171 176.214 177.300 0.141 0.000 1.200 261 P CA -0.837 62.224 63.100 -0.065 0.000 0.772 261 P CB -0.556 31.063 31.700 -0.135 0.000 0.855 262 P HA -0.170 nan 4.420 nan 0.000 0.221 262 P C -0.499 176.839 177.300 0.062 0.000 1.145 262 P CA 1.848 64.952 63.100 0.006 0.000 0.795 262 P CB -0.132 31.503 31.700 -0.110 0.000 0.775 263 A N -3.707 119.135 122.820 0.038 0.000 2.019 263 A HA -0.070 nan 4.320 nan 0.000 0.219 263 A C 0.127 177.712 177.584 0.001 0.000 1.164 263 A CA 0.498 52.539 52.037 0.006 0.000 0.644 263 A CB -0.103 18.884 19.000 -0.022 0.000 0.805 263 A HN -0.420 7.704 8.150 0.020 0.038 0.449 264 V N -0.156 119.790 119.914 0.053 0.000 2.493 264 V HA -0.216 nan 4.120 nan 0.000 0.292 264 V C 0.663 176.779 176.094 0.037 0.000 1.016 264 V CA 1.403 63.710 62.300 0.012 0.000 1.097 264 V CB -0.476 31.322 31.823 -0.041 0.000 0.947 264 V HN -0.667 7.542 8.190 0.092 0.036 0.479 265 T N 6.437 120.925 114.554 -0.110 0.000 2.759 265 T HA -0.120 nan 4.350 nan 0.000 0.269 265 T C -0.445 174.174 174.700 -0.135 0.000 1.042 265 T CA 3.081 65.050 62.100 -0.218 0.000 1.140 265 T CB 0.508 69.073 68.868 -0.505 0.000 0.864 265 T HN 0.281 8.429 8.240 -0.153 0.000 0.455 266 G N -4.045 104.673 108.800 -0.138 0.000 2.601 266 G HA2 0.375 nan 3.960 nan 0.000 0.291 266 G HA3 0.375 nan 3.960 nan 0.000 0.291 266 G C -3.308 171.449 174.900 -0.239 0.000 1.456 266 G CA 0.455 45.475 45.100 -0.134 0.000 0.804 266 G HN -0.819 7.375 8.290 -0.161 0.000 0.499 267 V N 0.074 119.809 119.914 -0.298 0.000 2.407 267 V HA 0.695 nan 4.120 nan 0.000 0.291 267 V C -1.235 174.545 176.094 -0.523 0.000 1.018 267 V CA -1.663 60.332 62.300 -0.508 0.000 0.842 267 V CB 2.002 33.383 31.823 -0.738 0.000 0.996 267 V HN 0.525 8.594 8.190 -0.201 0.000 0.426 268 T N 3.513 117.801 114.554 -0.443 0.000 2.947 268 T HA 0.548 nan 4.350 nan 0.000 0.337 268 T C -0.143 174.423 174.700 -0.223 0.000 1.139 268 T CA -2.980 58.938 62.100 -0.304 0.000 0.992 268 T CB -0.152 68.573 68.868 -0.238 0.000 1.043 268 T HN 0.586 8.594 8.240 -0.387 0.000 0.498 269 F N 6.083 126.038 119.950 0.008 0.000 2.518 269 F HA 0.094 nan 4.527 nan 0.000 0.359 269 F C -0.429 175.514 175.800 0.238 0.000 1.118 269 F CA 0.724 58.789 58.000 0.109 0.000 1.287 269 F CB 0.757 39.852 39.000 0.157 0.000 1.132 269 F HN 0.414 8.710 8.300 -0.007 0.000 0.587 270 L N -2.464 119.010 121.223 0.419 0.000 2.379 270 L HA 0.449 nan 4.340 nan 0.000 0.269 270 L C 0.035 177.114 176.870 0.348 0.000 1.084 270 L CA -0.877 54.181 54.840 0.364 0.000 0.802 270 L CB 0.247 42.429 42.059 0.206 0.000 1.175 270 L HN -0.283 8.172 8.230 0.374 0.000 0.448 271 S N 2.031 117.837 115.700 0.177 0.000 2.436 271 S HA -0.165 nan 4.470 nan 0.000 0.228 271 S C 1.255 175.844 174.600 -0.018 0.000 1.014 271 S CA 1.502 59.627 58.200 -0.125 0.000 0.950 271 S CB -0.197 62.701 63.200 -0.503 0.000 0.784 271 S HN 0.626 9.067 8.310 0.218 0.000 0.504 272 G N 1.832 110.656 108.800 0.041 0.000 2.393 272 G HA2 -0.362 nan 3.960 nan 0.000 0.299 272 G HA3 -0.362 nan 3.960 nan 0.000 0.299 272 G C -0.093 174.856 174.900 0.080 0.000 0.990 272 G CA 0.275 45.412 45.100 0.061 0.000 1.118 272 G HN 0.280 8.607 8.290 0.062 0.000 0.513 273 G N -3.358 105.471 108.800 0.047 0.000 2.176 273 G HA2 -0.457 nan 3.960 nan 0.000 0.253 273 G HA3 -0.457 nan 3.960 nan 0.000 0.253 273 G C 0.129 175.033 174.900 0.007 0.000 0.979 273 G CA -0.165 44.973 45.100 0.063 0.000 0.641 273 G HN 0.324 8.623 8.290 0.016 0.000 0.530 274 Q N 0.773 120.554 119.800 -0.032 0.000 2.373 274 Q HA 0.035 nan 4.340 nan 0.000 0.255 274 Q C 0.364 176.309 176.000 -0.091 0.000 0.980 274 Q CA -0.085 55.679 55.803 -0.065 0.000 0.882 274 Q CB 0.937 29.624 28.738 -0.086 0.000 1.249 274 Q HN -0.600 7.478 8.270 -0.038 0.169 0.438 275 S N 2.099 117.759 115.700 -0.067 0.000 2.608 275 S HA -0.035 nan 4.470 nan 0.000 0.261 275 S C 1.031 175.576 174.600 -0.092 0.000 1.314 275 S CA -0.742 57.423 58.200 -0.059 0.000 0.992 275 S CB 1.516 64.699 63.200 -0.029 0.000 0.935 275 S HN -0.165 8.341 8.310 -0.050 -0.225 0.564 276 E N 2.442 122.598 120.200 -0.073 0.000 2.070 276 E HA -0.467 nan 4.350 nan 0.000 0.197 276 E C 1.966 178.514 176.600 -0.087 0.000 1.004 276 E CA 3.865 60.213 56.400 -0.087 0.000 0.805 276 E CB -0.307 29.369 29.700 -0.039 0.000 0.744 276 E HN 0.641 8.974 8.360 -0.045 0.000 0.451 277 E N -1.635 118.539 120.200 -0.042 0.000 2.047 277 E HA -0.244 nan 4.350 nan 0.000 0.191 277 E C 1.990 178.569 176.600 -0.035 0.000 0.987 277 E CA 2.616 59.008 56.400 -0.014 0.000 0.799 277 E CB -0.633 29.084 29.700 0.028 0.000 0.752 277 E HN 0.004 8.349 8.360 -0.025 0.000 0.449 278 E N -0.023 120.155 120.200 -0.037 0.000 2.058 278 E HA -0.378 nan 4.350 nan 0.000 0.194 278 E C 2.087 178.649 176.600 -0.064 0.000 0.997 278 E CA 2.981 59.361 56.400 -0.033 0.000 0.801 278 E CB -0.146 29.558 29.700 0.006 0.000 0.746 278 E HN -0.760 7.583 8.360 -0.029 0.000 0.450 279 A N -1.833 120.920 122.820 -0.111 0.000 1.940 279 A HA -0.290 nan 4.320 nan 0.000 0.219 279 A C 2.542 180.117 177.584 -0.015 0.000 1.176 279 A CA 3.304 55.256 52.037 -0.141 0.000 0.631 279 A CB -0.797 17.917 19.000 -0.477 0.000 0.814 279 A HN 0.119 8.191 8.150 -0.130 0.000 0.446 280 S N -0.622 115.028 115.700 -0.083 0.000 2.357 280 S HA -0.221 nan 4.470 nan 0.000 0.221 280 S C 2.148 176.689 174.600 -0.097 0.000 1.031 280 S CA 3.881 61.972 58.200 -0.182 0.000 0.982 280 S CB -0.309 62.602 63.200 -0.482 0.000 0.853 280 S HN -0.671 7.467 8.310 -0.115 0.103 0.458 281 I N 2.208 122.748 120.570 -0.051 0.000 2.179 281 I HA -0.474 nan 4.170 nan 0.000 0.242 281 I C 1.762 177.813 176.117 -0.111 0.000 1.088 281 I CA 2.722 63.976 61.300 -0.077 0.000 1.357 281 I CB -1.271 36.540 38.000 -0.315 0.000 1.051 281 I HN 0.424 8.594 8.210 -0.067 0.000 0.409 282 N N 0.280 118.925 118.700 -0.090 0.000 2.120 282 N HA -0.253 nan 4.740 nan 0.000 0.188 282 N C 2.545 178.030 175.510 -0.041 0.000 1.024 282 N CA 3.102 56.138 53.050 -0.022 0.000 0.852 282 N CB -0.370 38.122 38.487 0.007 0.000 1.003 282 N HN 0.108 8.434 8.380 -0.091 0.000 0.424 283 L N 0.245 121.454 121.223 -0.024 0.000 2.083 283 L HA -0.276 nan 4.340 nan 0.000 0.209 283 L C 1.314 178.198 176.870 0.024 0.000 1.083 283 L CA 2.989 57.824 54.840 -0.010 0.000 0.752 283 L CB -0.182 41.924 42.059 0.078 0.000 0.899 283 L HN -0.207 8.024 8.230 0.001 0.000 0.433 284 N N -0.710 118.010 118.700 0.033 0.000 2.106 284 N HA -0.359 nan 4.740 nan 0.000 0.188 284 N C 1.925 177.470 175.510 0.059 0.000 1.029 284 N CA 3.573 56.667 53.050 0.072 0.000 0.848 284 N CB 0.342 38.911 38.487 0.137 0.000 1.007 284 N HN -0.049 8.250 8.380 0.018 0.091 0.423 285 A N 0.159 123.004 122.820 0.042 0.000 1.933 285 A HA -0.276 nan 4.320 nan 0.000 0.218 285 A C 2.183 179.795 177.584 0.046 0.000 1.175 285 A CA 2.851 54.917 52.037 0.050 0.000 0.628 285 A CB -0.601 18.441 19.000 0.069 0.000 0.814 285 A HN -0.050 8.115 8.150 0.026 0.000 0.444 286 I N -2.769 117.814 120.570 0.021 0.000 2.208 286 I HA -0.570 nan 4.170 nan 0.000 0.245 286 I C 2.550 178.717 176.117 0.084 0.000 1.097 286 I CA 4.043 65.359 61.300 0.026 0.000 1.363 286 I CB -0.354 37.604 38.000 -0.070 0.000 1.051 286 I HN 0.101 8.310 8.210 -0.002 0.000 0.413 287 N N -1.158 117.594 118.700 0.087 0.000 2.457 287 N HA -0.171 nan 4.740 nan 0.000 0.180 287 N C 0.963 176.518 175.510 0.076 0.000 1.050 287 N CA 2.617 55.726 53.050 0.100 0.000 0.906 287 N CB 0.082 38.631 38.487 0.103 0.000 0.968 287 N HN -0.417 7.915 8.380 0.072 0.092 0.445 288 K N -3.503 116.936 120.400 0.065 0.000 2.374 288 K HA 0.063 nan 4.320 nan 0.000 0.196 288 K C -0.422 176.209 176.600 0.050 0.000 1.023 288 K CA -0.642 55.677 56.287 0.053 0.000 1.103 288 K CB 0.127 32.656 32.500 0.049 0.000 0.848 288 K HN -0.669 7.462 8.250 0.065 0.158 0.528 289 C N 3.741 123.076 119.300 0.059 0.000 2.648 289 C HA 0.223 nan 4.460 nan 0.000 0.415 289 C C -0.585 174.434 174.990 0.047 0.000 1.366 289 C CA -1.572 57.480 59.018 0.057 0.000 1.756 289 C CB -0.245 27.538 27.740 0.071 0.000 2.549 289 C HN -0.521 7.685 8.230 0.068 0.064 0.597 290 P HA -0.218 nan 4.420 nan 0.000 0.217 290 P C -0.640 176.672 177.300 0.020 0.000 1.148 290 P CA 1.098 64.214 63.100 0.026 0.000 0.828 290 P CB 0.067 31.781 31.700 0.024 0.000 0.783 291 L N -1.935 119.305 121.223 0.029 0.000 2.499 291 L HA -0.215 nan 4.340 nan 0.000 0.281 291 L C 0.055 176.923 176.870 -0.002 0.000 1.234 291 L CA -0.520 54.331 54.840 0.020 0.000 0.839 291 L CB 0.280 42.365 42.059 0.042 0.000 1.104 291 L HN -0.507 7.713 8.230 0.040 0.034 0.500 292 L N 1.925 123.126 121.223 -0.037 0.000 2.410 292 L HA -0.000 nan 4.340 nan 0.000 0.273 292 L C -0.972 175.799 176.870 -0.165 0.000 1.144 292 L CA 0.597 55.383 54.840 -0.091 0.000 0.863 292 L CB 0.201 42.196 42.059 -0.106 0.000 1.140 292 L HN 0.143 8.355 8.230 -0.031 0.000 0.463 293 K N 7.697 127.978 120.400 -0.199 0.000 2.521 293 K HA 0.375 nan 4.320 nan 0.000 0.248 293 K C -1.860 174.428 176.600 -0.520 0.000 0.978 293 K CA -1.961 54.117 56.287 -0.347 0.000 0.947 293 K CB -0.219 32.280 32.500 -0.001 0.000 1.165 293 K HN 0.314 8.479 8.250 -0.143 0.000 0.445 294 P HA -0.057 nan 4.420 nan 0.000 0.242 294 P C -2.019 174.898 177.300 -0.638 0.000 1.197 294 P CA 0.534 63.162 63.100 -0.785 0.000 0.765 294 P CB 0.321 31.533 31.700 -0.814 0.000 0.936 295 W N -3.706 117.574 121.300 -0.034 0.000 2.962 295 W HA 0.128 nan 4.660 nan 0.000 0.341 295 W C -1.354 175.140 176.519 -0.041 0.000 1.155 295 W CA -2.305 55.007 57.345 -0.056 0.000 1.165 295 W CB 1.322 30.728 29.460 -0.090 0.000 1.435 295 W HN -0.904 6.907 8.180 -0.496 0.071 0.546 296 A N -0.126 122.814 122.820 0.200 0.000 2.511 296 A HA 0.106 nan 4.320 nan 0.000 0.242 296 A C -1.669 175.993 177.584 0.130 0.000 1.069 296 A CA 0.505 52.611 52.037 0.114 0.000 0.763 296 A CB 0.832 19.846 19.000 0.022 0.000 1.001 296 A HN 0.336 8.581 8.150 0.158 0.000 0.498 297 L N 4.109 125.431 121.223 0.164 0.000 2.337 297 L HA 0.466 nan 4.340 nan 0.000 0.269 297 L C -1.091 175.906 176.870 0.213 0.000 1.018 297 L CA -1.040 53.937 54.840 0.228 0.000 0.876 297 L CB -0.442 41.853 42.059 0.393 0.000 1.236 297 L HN 0.429 8.754 8.230 0.158 0.000 0.436 298 T N 2.595 117.205 114.554 0.093 0.000 2.678 298 T HA 0.497 nan 4.350 nan 0.000 0.260 298 T C -2.202 172.550 174.700 0.087 0.000 0.932 298 T CA -2.419 59.726 62.100 0.075 0.000 1.043 298 T CB 3.300 72.090 68.868 -0.131 0.000 1.413 298 T HN 0.497 8.716 8.240 -0.035 0.000 0.568 299 F N -4.547 115.269 119.950 -0.223 0.000 2.556 299 F HA 0.972 nan 4.527 nan 0.000 0.327 299 F C -1.635 173.957 175.800 -0.347 0.000 1.059 299 F CA -3.430 54.270 58.000 -0.499 0.000 0.953 299 F CB 2.901 41.207 39.000 -1.156 0.000 1.227 299 F HN -0.082 7.915 8.300 -0.504 0.000 0.478 300 S N 0.503 116.132 115.700 -0.118 0.000 2.317 300 S HA 0.204 nan 4.470 nan 0.000 0.144 300 S C -1.863 172.933 174.600 0.327 0.000 1.660 300 S CA -0.689 57.532 58.200 0.034 0.000 1.273 300 S CB 0.150 63.364 63.200 0.023 0.000 1.330 300 S HN 0.213 8.484 8.310 -0.064 0.000 0.395 301 Y N 2.432 122.909 120.300 0.295 0.000 2.334 301 Y HA 0.248 nan 4.550 nan 0.000 0.328 301 Y C -0.631 175.362 175.900 0.155 0.000 1.130 301 Y CA -2.075 56.154 58.100 0.216 0.000 1.163 301 Y CB 1.597 40.180 38.460 0.204 0.000 1.207 301 Y HN -0.192 8.356 8.280 0.446 0.000 0.471 302 G N 1.691 110.646 108.800 0.259 0.000 2.534 302 G HA2 0.089 nan 3.960 nan 0.000 0.224 302 G HA3 0.089 nan 3.960 nan 0.000 0.224 302 G C 1.223 176.195 174.900 0.120 0.000 1.822 302 G CA 0.428 45.620 45.100 0.154 0.000 0.805 302 G HN 0.012 8.441 8.290 0.232 0.000 0.649 303 R N 3.561 124.103 120.500 0.071 0.000 2.091 303 R HA -0.266 nan 4.340 nan 0.000 0.238 303 R C 1.466 177.781 176.300 0.025 0.000 1.136 303 R CA 2.651 58.779 56.100 0.048 0.000 0.959 303 R CB -0.339 29.972 30.300 0.019 0.000 0.856 303 R HN 0.387 8.694 8.270 0.061 0.000 0.437 304 A N -2.740 120.052 122.820 -0.047 0.000 2.186 304 A HA -0.180 nan 4.320 nan 0.000 0.219 304 A C 0.921 178.521 177.584 0.026 0.000 1.159 304 A CA 2.345 54.302 52.037 -0.133 0.000 0.680 304 A CB -0.540 18.119 19.000 -0.567 0.000 0.787 304 A HN -0.136 7.972 8.150 -0.069 0.000 0.467 305 L N -8.212 113.095 121.223 0.139 0.000 2.817 305 L HA 0.090 nan 4.340 nan 0.000 0.248 305 L C 0.303 177.309 176.870 0.226 0.000 1.133 305 L CA 0.125 55.095 54.840 0.217 0.000 0.935 305 L CB 0.567 42.823 42.059 0.330 0.000 1.266 305 L HN -0.548 7.594 8.230 0.144 0.174 0.535 306 Q N -3.267 116.624 119.800 0.152 0.000 2.280 306 Q HA 0.102 nan 4.340 nan 0.000 0.244 306 Q C 1.363 177.457 176.000 0.156 0.000 0.847 306 Q CA 0.533 56.429 55.803 0.155 0.000 0.945 306 Q CB 2.103 30.940 28.738 0.165 0.000 1.115 306 Q HN -0.321 7.877 8.270 0.124 0.146 0.513 307 A N 1.584 124.469 122.820 0.107 0.000 1.881 307 A HA -0.425 nan 4.320 nan 0.000 0.219 307 A C 1.746 179.387 177.584 0.096 0.000 1.215 307 A CA 3.749 55.836 52.037 0.082 0.000 0.648 307 A CB -0.797 18.231 19.000 0.046 0.000 0.832 307 A HN 0.481 8.685 8.150 0.089 0.000 0.455 308 S N -0.710 115.048 115.700 0.097 0.000 2.383 308 S HA -0.349 nan 4.470 nan 0.000 0.227 308 S C 1.955 176.640 174.600 0.141 0.000 1.026 308 S CA 2.994 61.254 58.200 0.101 0.000 0.981 308 S CB -0.238 63.013 63.200 0.085 0.000 0.818 308 S HN -0.378 8.424 8.310 0.087 -0.440 0.472 309 A N 2.392 125.317 122.820 0.175 0.000 1.858 309 A HA -0.242 nan 4.320 nan 0.000 0.216 309 A C 1.722 179.483 177.584 0.296 0.000 1.190 309 A CA 2.970 55.136 52.037 0.216 0.000 0.617 309 A CB -0.970 18.145 19.000 0.192 0.000 0.827 309 A HN -0.028 8.223 8.150 0.169 0.000 0.443 310 L N -1.651 119.751 121.223 0.299 0.000 2.012 310 L HA -0.377 nan 4.340 nan 0.000 0.210 310 L C 1.726 178.738 176.870 0.236 0.000 1.073 310 L CA 3.476 58.488 54.840 0.286 0.000 0.748 310 L CB -0.618 41.500 42.059 0.098 0.000 0.891 310 L HN 0.164 8.550 8.230 0.260 0.000 0.431 311 K N -1.079 119.409 120.400 0.147 0.000 2.002 311 K HA -0.375 nan 4.320 nan 0.000 0.209 311 K C 1.450 178.116 176.600 0.111 0.000 1.048 311 K CA 2.874 59.215 56.287 0.089 0.000 0.930 311 K CB -0.024 32.515 32.500 0.065 0.000 0.714 311 K HN -0.548 7.785 8.250 0.138 0.000 0.438 312 A N -1.961 120.951 122.820 0.153 0.000 1.940 312 A HA -0.146 nan 4.320 nan 0.000 0.219 312 A C 1.352 179.072 177.584 0.227 0.000 1.176 312 A CA 2.189 54.321 52.037 0.159 0.000 0.631 312 A CB -0.271 18.824 19.000 0.159 0.000 0.814 312 A HN -0.084 8.054 8.150 0.158 0.107 0.446 313 W N -0.268 121.082 121.300 0.084 0.000 2.353 313 W HA -0.330 nan 4.660 nan 0.000 0.319 313 W C 1.327 177.890 176.519 0.074 0.000 1.207 313 W CA 1.252 58.663 57.345 0.110 0.000 1.291 313 W CB 0.966 30.521 29.460 0.158 0.000 1.159 313 W HN -0.211 8.123 8.180 0.418 0.097 0.478 314 G N -3.850 104.851 108.800 -0.164 0.000 2.168 314 G HA2 -0.507 nan 3.960 nan 0.000 0.257 314 G HA3 -0.507 nan 3.960 nan 0.000 0.257 314 G C 0.055 174.494 174.900 -0.769 0.000 0.997 314 G CA 0.684 45.556 45.100 -0.381 0.000 0.708 314 G HN -0.009 8.318 8.290 0.062 0.000 0.520 315 G N -2.456 105.272 108.800 -1.786 0.000 2.245 315 G HA2 -0.539 nan 3.960 nan 0.000 0.264 315 G HA3 -0.539 nan 3.960 nan 0.000 0.264 315 G C -0.164 174.266 174.900 -0.783 0.000 0.985 315 G CA 0.401 44.495 45.100 -1.677 0.000 0.625 315 G HN 0.281 6.957 8.290 -2.618 0.043 0.536 316 K N 2.628 122.725 120.400 -0.505 0.000 2.349 316 K HA -0.040 nan 4.320 nan 0.000 0.289 316 K C 0.325 176.999 176.600 0.123 0.000 1.064 316 K CA -0.694 55.511 56.287 -0.137 0.000 0.947 316 K CB 0.007 32.461 32.500 -0.078 0.000 1.007 316 K HN -0.654 7.149 8.250 -0.568 0.106 0.478 317 K N 7.014 127.482 120.400 0.114 0.000 2.360 317 K HA -0.336 nan 4.320 nan 0.000 0.201 317 K C 1.849 178.606 176.600 0.262 0.000 1.046 317 K CA 3.052 59.480 56.287 0.236 0.000 0.940 317 K CB -0.007 32.517 32.500 0.039 0.000 0.748 317 K HN 0.730 8.975 8.250 -0.008 0.000 0.465 318 E N -2.345 117.954 120.200 0.165 0.000 2.208 318 E HA -0.165 nan 4.350 nan 0.000 0.193 318 E C 1.149 177.847 176.600 0.164 0.000 0.988 318 E CA 2.178 58.659 56.400 0.136 0.000 0.828 318 E CB -0.621 29.127 29.700 0.079 0.000 0.763 318 E HN 0.406 8.783 8.360 0.112 0.050 0.478 319 N N -1.432 117.396 118.700 0.214 0.000 2.383 319 N HA 0.043 nan 4.740 nan 0.000 0.192 319 N C 0.430 176.110 175.510 0.283 0.000 1.141 319 N CA -0.201 52.984 53.050 0.226 0.000 0.851 319 N CB 0.008 38.625 38.487 0.216 0.000 0.976 319 N HN -0.363 8.011 8.380 0.230 0.144 0.465 320 L N 1.533 122.941 121.223 0.309 0.000 1.976 320 L HA -0.463 nan 4.340 nan 0.000 0.223 320 L C 0.788 177.731 176.870 0.122 0.000 1.081 320 L CA 4.620 59.595 54.840 0.225 0.000 0.784 320 L CB -0.140 42.042 42.059 0.205 0.000 0.896 320 L HN -0.750 7.594 8.230 0.324 0.080 0.438 321 K N -2.451 118.012 120.400 0.106 0.000 2.147 321 K HA -0.404 nan 4.320 nan 0.000 0.205 321 K C 2.140 178.789 176.600 0.083 0.000 1.049 321 K CA 3.227 59.559 56.287 0.076 0.000 0.936 321 K CB -0.610 31.930 32.500 0.066 0.000 0.722 321 K HN 0.261 8.583 8.250 0.119 0.000 0.446 322 A N -0.818 122.064 122.820 0.104 0.000 1.872 322 A HA -0.120 nan 4.320 nan 0.000 0.214 322 A C 1.830 179.484 177.584 0.118 0.000 1.187 322 A CA 2.656 54.754 52.037 0.101 0.000 0.614 322 A CB -0.935 18.128 19.000 0.105 0.000 0.826 322 A HN -0.679 7.521 8.150 0.119 0.022 0.442 323 A N -1.966 120.946 122.820 0.154 0.000 1.902 323 A HA -0.377 nan 4.320 nan 0.000 0.217 323 A C 2.384 180.047 177.584 0.133 0.000 1.181 323 A CA 2.987 55.129 52.037 0.175 0.000 0.623 323 A CB -0.855 18.293 19.000 0.246 0.000 0.818 323 A HN 0.064 8.319 8.150 0.175 0.000 0.443 324 Q N -2.199 117.656 119.800 0.093 0.000 2.170 324 Q HA -0.387 nan 4.340 nan 0.000 0.203 324 Q C 2.426 178.502 176.000 0.127 0.000 0.976 324 Q CA 3.016 58.880 55.803 0.102 0.000 0.858 324 Q CB -0.126 28.642 28.738 0.049 0.000 0.907 324 Q HN -0.029 8.290 8.270 0.082 0.000 0.433 325 E N 0.259 120.512 120.200 0.089 0.000 2.051 325 E HA -0.335 nan 4.350 nan 0.000 0.192 325 E C 2.383 179.019 176.600 0.060 0.000 0.991 325 E CA 2.945 59.381 56.400 0.060 0.000 0.799 325 E CB -0.649 29.083 29.700 0.053 0.000 0.748 325 E HN -0.513 7.787 8.360 0.086 0.112 0.449 326 E N -1.070 119.185 120.200 0.092 0.000 2.085 326 E HA -0.357 nan 4.350 nan 0.000 0.194 326 E C 2.381 179.045 176.600 0.107 0.000 0.994 326 E CA 2.819 59.275 56.400 0.093 0.000 0.801 326 E CB -0.503 29.268 29.700 0.117 0.000 0.743 326 E HN -0.553 7.870 8.360 0.105 0.000 0.453 327 Y N 0.739 121.047 120.300 0.013 0.000 2.114 327 Y HA -0.385 nan 4.550 nan 0.000 0.284 327 Y C 1.971 177.864 175.900 -0.011 0.000 1.143 327 Y CA 2.975 61.073 58.100 -0.004 0.000 1.135 327 Y CB -0.213 38.230 38.460 -0.030 0.000 0.980 327 Y HN -0.655 7.684 8.280 0.241 0.086 0.499 328 V N -0.594 119.164 119.914 -0.260 0.000 2.392 328 V HA -0.589 nan 4.120 nan 0.000 0.249 328 V C 2.108 178.070 176.094 -0.220 0.000 1.059 328 V CA 4.685 66.789 62.300 -0.327 0.000 1.051 328 V CB -1.138 30.603 31.823 -0.135 0.000 0.658 328 V HN 0.268 8.445 8.190 -0.021 0.000 0.455 329 K N -1.179 119.153 120.400 -0.113 0.000 2.097 329 K HA -0.320 nan 4.320 nan 0.000 0.205 329 K C 2.598 179.138 176.600 -0.099 0.000 1.050 329 K CA 3.664 59.910 56.287 -0.069 0.000 0.938 329 K CB -0.367 32.124 32.500 -0.015 0.000 0.718 329 K HN 0.117 8.241 8.250 -0.068 0.085 0.442 330 R N -1.535 118.896 120.500 -0.115 0.000 2.090 330 R HA -0.175 nan 4.340 nan 0.000 0.228 330 R C 2.271 178.430 176.300 -0.236 0.000 1.110 330 R CA 1.327 57.346 56.100 -0.135 0.000 0.973 330 R CB -1.097 29.177 30.300 -0.043 0.000 0.869 330 R HN -0.371 7.755 8.270 -0.093 0.088 0.440 331 A N 0.447 123.092 122.820 -0.291 0.000 1.902 331 A HA -0.177 nan 4.320 nan 0.000 0.217 331 A C 2.362 179.816 177.584 -0.216 0.000 1.181 331 A CA 3.093 54.958 52.037 -0.287 0.000 0.623 331 A CB -0.886 17.875 19.000 -0.397 0.000 0.818 331 A HN 0.050 7.988 8.150 -0.353 0.000 0.443 332 L N -2.247 118.870 121.223 -0.176 0.000 2.046 332 L HA -0.441 nan 4.340 nan 0.000 0.208 332 L C 2.155 178.959 176.870 -0.110 0.000 1.077 332 L CA 2.897 57.676 54.840 -0.101 0.000 0.747 332 L CB -0.472 41.551 42.059 -0.061 0.000 0.896 332 L HN -0.055 8.058 8.230 -0.195 0.000 0.432 333 A N -1.020 121.695 122.820 -0.175 0.000 1.877 333 A HA -0.416 nan 4.320 nan 0.000 0.216 333 A C 2.108 179.379 177.584 -0.523 0.000 1.186 333 A CA 3.373 55.208 52.037 -0.336 0.000 0.620 333 A CB -0.859 17.875 19.000 -0.443 0.000 0.822 333 A HN -0.011 8.038 8.150 -0.169 0.000 0.443 334 N N -2.301 116.085 118.700 -0.524 0.000 2.309 334 N HA -0.267 nan 4.740 nan 0.000 0.182 334 N C 2.335 177.650 175.510 -0.324 0.000 1.018 334 N CA 2.795 55.459 53.050 -0.644 0.000 0.876 334 N CB -0.441 37.256 38.487 -1.318 0.000 0.972 334 N HN -0.135 7.954 8.380 -0.485 0.000 0.434 335 S N 1.421 117.035 115.700 -0.144 0.000 2.356 335 S HA -0.246 nan 4.470 nan 0.000 0.223 335 S C 1.441 176.071 174.600 0.049 0.000 1.032 335 S CA 3.276 61.521 58.200 0.075 0.000 1.005 335 S CB -0.019 63.212 63.200 0.052 0.000 0.867 335 S HN -0.208 7.877 8.310 -0.213 0.097 0.449 336 L N -1.052 120.182 121.223 0.018 0.000 2.056 336 L HA -0.266 nan 4.340 nan 0.000 0.207 336 L C 1.837 178.760 176.870 0.089 0.000 1.078 336 L CA 2.790 57.678 54.840 0.079 0.000 0.749 336 L CB -0.084 42.074 42.059 0.165 0.000 0.901 336 L HN -0.490 7.727 8.230 -0.021 0.000 0.433 337 A N -0.623 122.205 122.820 0.013 0.000 1.933 337 A HA -0.238 nan 4.320 nan 0.000 0.218 337 A C 2.246 179.870 177.584 0.065 0.000 1.175 337 A CA 3.000 55.051 52.037 0.022 0.000 0.628 337 A CB -0.898 18.011 19.000 -0.152 0.000 0.814 337 A HN 0.214 8.230 8.150 -0.108 0.070 0.444 338 C N -5.571 113.784 119.300 0.091 0.000 2.539 338 C HA -0.020 nan 4.460 nan 0.000 0.271 338 C C 0.683 175.739 174.990 0.110 0.000 1.412 338 C CA -0.140 58.963 59.018 0.142 0.000 1.729 338 C CB -1.881 25.989 27.740 0.217 0.000 1.739 338 C HN -0.173 8.102 8.230 0.075 0.000 0.570 339 Q N -0.400 119.454 119.800 0.091 0.000 2.164 339 Q HA 0.055 nan 4.340 nan 0.000 0.226 339 Q C 0.674 176.717 176.000 0.072 0.000 0.813 339 Q CA -1.124 54.724 55.803 0.075 0.000 0.978 339 Q CB 1.291 30.067 28.738 0.064 0.000 1.149 339 Q HN -0.485 7.636 8.270 0.089 0.203 0.489 340 G N 0.047 108.897 108.800 0.083 0.000 2.198 340 G HA2 -0.449 nan 3.960 nan 0.000 0.260 340 G HA3 -0.449 nan 3.960 nan 0.000 0.260 340 G C -0.570 174.375 174.900 0.075 0.000 1.025 340 G CA 0.896 46.044 45.100 0.079 0.000 0.769 340 G HN -0.106 8.047 8.290 0.091 0.192 0.507 341 K N -2.272 118.183 120.400 0.091 0.000 2.414 341 K HA 0.085 nan 4.320 nan 0.000 0.204 341 K C -0.846 175.820 176.600 0.110 0.000 1.026 341 K CA -1.579 54.754 56.287 0.078 0.000 1.108 341 K CB 0.785 33.324 32.500 0.065 0.000 0.855 341 K HN 0.028 8.308 8.250 0.102 0.031 0.517 342 Y N 1.715 122.010 120.300 -0.008 0.000 2.691 342 Y HA -0.019 nan 4.550 nan 0.000 0.338 342 Y C -1.500 174.387 175.900 -0.022 0.000 1.148 342 Y CA -0.813 57.275 58.100 -0.020 0.000 1.430 342 Y CB -0.643 37.799 38.460 -0.030 0.000 1.303 342 Y HN -0.472 7.873 8.280 0.211 0.061 0.499 343 T N 7.859 122.240 114.554 -0.288 0.000 3.060 343 T HA 0.222 nan 4.350 nan 0.000 0.367 343 T C -0.354 174.133 174.700 -0.354 0.000 1.229 343 T CA -1.309 60.629 62.100 -0.270 0.000 1.104 343 T CB -0.381 68.415 68.868 -0.120 0.000 1.083 343 T HN -0.438 7.677 8.240 -0.209 0.000 0.524 344 S N 5.878 121.270 115.700 -0.512 0.000 2.558 344 S HA -0.154 nan 4.470 nan 0.000 0.287 344 S C 0.080 174.566 174.600 -0.190 0.000 1.321 344 S CA 0.232 58.207 58.200 -0.375 0.000 1.048 344 S CB 0.694 63.701 63.200 -0.323 0.000 0.844 344 S HN 0.279 8.203 8.310 -0.644 0.000 0.512 345 S N 2.210 117.830 115.700 -0.133 0.000 2.998 345 S HA -0.342 nan 4.470 nan 0.000 0.348 345 S C 0.314 174.874 174.600 -0.066 0.000 1.210 345 S CA 1.875 60.026 58.200 -0.081 0.000 1.118 345 S CB -0.169 62.997 63.200 -0.056 0.000 0.832 345 S HN 0.244 8.473 8.310 -0.135 0.000 0.516 346 G N 5.750 114.516 108.800 -0.057 0.000 2.205 346 G HA2 -0.280 nan 3.960 nan 0.000 0.180 346 G HA3 -0.280 nan 3.960 nan 0.000 0.180 346 G C -0.809 174.065 174.900 -0.042 0.000 1.004 346 G CA -0.209 44.867 45.100 -0.041 0.000 0.670 346 G HN 0.074 8.329 8.290 -0.058 0.000 0.496 347 Q N -1.521 118.243 119.800 -0.060 0.000 2.447 347 Q HA -0.470 nan 4.340 nan 0.000 0.348 347 Q C -1.489 174.486 176.000 -0.041 0.000 1.421 347 Q CA 0.893 56.663 55.803 -0.056 0.000 0.978 347 Q CB -1.901 26.816 28.738 -0.036 0.000 1.191 347 Q HN -0.212 7.954 8.270 -0.076 0.058 0.371 348 A N -1.587 121.201 122.820 -0.054 0.000 2.564 348 A HA 0.201 nan 4.320 nan 0.000 0.291 348 A C -2.147 175.414 177.584 -0.039 0.000 1.102 348 A CA -0.277 51.745 52.037 -0.025 0.000 0.660 348 A CB 2.386 21.383 19.000 -0.005 0.000 1.283 348 A HN -0.339 7.760 8.150 -0.085 0.000 0.430 349 G N -3.256 105.543 108.800 -0.001 0.000 2.420 349 G HA2 0.241 nan 3.960 nan 0.000 0.331 349 G HA3 0.241 nan 3.960 nan 0.000 0.331 349 G C -1.295 173.624 174.900 0.033 0.000 1.168 349 G CA -0.873 44.207 45.100 -0.033 0.000 0.936 349 G HN -0.126 8.188 8.290 0.040 0.000 0.479 350 A N 1.762 124.592 122.820 0.017 0.000 2.406 350 A HA -0.073 nan 4.320 nan 0.000 0.243 350 A C -0.321 177.364 177.584 0.167 0.000 1.082 350 A CA -0.210 51.867 52.037 0.068 0.000 0.786 350 A CB 0.650 19.677 19.000 0.045 0.000 1.029 350 A HN 0.333 8.465 8.150 -0.029 0.000 0.495 351 A N 0.639 123.530 122.820 0.117 0.000 2.248 351 A HA 0.358 nan 4.320 nan 0.000 0.316 351 A C -0.131 177.505 177.584 0.087 0.000 1.101 351 A CA -1.271 50.833 52.037 0.111 0.000 0.875 351 A CB 1.229 20.265 19.000 0.060 0.000 1.207 351 A HN 0.081 8.277 8.150 0.077 0.000 0.504 352 A N -0.871 121.985 122.820 0.060 0.000 2.491 352 A HA 0.059 nan 4.320 nan 0.000 0.261 352 A C 0.499 178.102 177.584 0.032 0.000 1.101 352 A CA 0.194 52.258 52.037 0.045 0.000 0.772 352 A CB -0.033 18.985 19.000 0.030 0.000 1.043 352 A HN 0.157 8.335 8.150 0.045 0.000 0.501 353 S N 2.156 117.872 115.700 0.027 0.000 2.595 353 S HA -0.221 nan 4.470 nan 0.000 0.235 353 S C 0.339 174.946 174.600 0.012 0.000 0.974 353 S CA 0.842 59.053 58.200 0.018 0.000 0.942 353 S CB 0.489 63.698 63.200 0.015 0.000 0.766 353 S HN 0.484 8.812 8.310 0.030 0.000 0.536 354 E N 0.674 120.882 120.200 0.013 0.000 3.258 354 E HA 0.024 nan 4.350 nan 0.000 0.283 354 E C -0.889 175.719 176.600 0.013 0.000 1.171 354 E CA 0.285 56.689 56.400 0.007 0.000 1.987 354 E CB -0.009 29.691 29.700 -0.001 0.000 2.022 354 E HN -0.358 7.918 8.360 0.018 0.094 0.978 355 S N 1.964 117.679 115.700 0.024 0.000 3.711 355 S HA -0.240 nan 4.470 nan 0.000 0.374 355 S C 0.607 175.226 174.600 0.033 0.000 0.969 355 S CA -0.466 57.764 58.200 0.049 0.000 1.198 355 S CB -0.420 62.806 63.200 0.044 0.000 0.903 355 S HN 0.246 8.571 8.310 0.024 0.000 0.493 356 L N 0.620 121.825 121.223 -0.031 0.000 2.131 356 L HA -0.259 nan 4.340 nan 0.000 0.210 356 L C 0.334 177.102 176.870 -0.170 0.000 1.092 356 L CA 2.732 57.492 54.840 -0.134 0.000 0.759 356 L CB 0.172 42.053 42.059 -0.297 0.000 0.903 356 L HN -0.567 7.841 8.230 -0.032 -0.197 0.435 357 F N -3.555 116.400 119.950 0.008 0.000 2.771 357 F HA -0.166 nan 4.527 nan 0.000 0.299 357 F C 0.804 176.585 175.800 -0.032 0.000 1.177 357 F CA 2.818 60.805 58.000 -0.021 0.000 1.450 357 F CB -0.299 38.682 39.000 -0.032 0.000 1.114 357 F HN -0.060 8.275 8.300 0.092 0.020 0.587 358 I N -3.410 117.237 120.570 0.128 0.000 4.082 358 I HA 0.066 nan 4.170 nan 0.000 0.337 358 I C -0.353 175.833 176.117 0.116 0.000 1.352 358 I CA -0.279 61.083 61.300 0.103 0.000 1.097 358 I CB 0.585 38.625 38.000 0.066 0.000 1.048 358 I HN -0.512 7.576 8.210 0.099 0.181 0.393 359 S N 1.536 117.285 115.700 0.082 0.000 2.686 359 S HA 0.105 nan 4.470 nan 0.000 0.270 359 S C 0.381 175.045 174.600 0.106 0.000 1.194 359 S CA -0.429 57.794 58.200 0.037 0.000 0.990 359 S CB 1.885 65.070 63.200 -0.027 0.000 1.029 359 S HN -0.359 7.809 8.310 0.058 0.177 0.560 360 N N -0.620 118.038 118.700 -0.070 0.000 2.364 360 N HA -0.247 nan 4.740 nan 0.000 0.183 360 N C 2.021 177.557 175.510 0.043 0.000 1.022 360 N CA 2.624 55.655 53.050 -0.031 0.000 0.883 360 N CB -0.642 37.712 38.487 -0.222 0.000 0.965 360 N HN 0.587 8.856 8.380 -0.186 0.000 0.438 361 H N 0.406 119.533 119.070 0.094 0.000 2.521 361 H HA -0.067 nan 4.556 nan 0.000 0.286 361 H C 0.426 175.759 175.328 0.008 0.000 1.034 361 H CA 1.571 57.635 56.048 0.027 0.000 1.278 361 H CB -0.689 29.045 29.762 -0.047 0.000 1.386 361 H HN -0.509 7.532 8.280 -0.325 0.045 0.567 362 A N -2.579 120.298 122.820 0.096 0.000 2.327 362 A HA -0.009 nan 4.320 nan 0.000 0.228 362 A C -1.392 176.039 177.584 -0.255 0.000 1.275 362 A CA 0.355 52.355 52.037 -0.062 0.000 0.875 362 A CB 0.200 19.146 19.000 -0.089 0.000 0.925 362 A HN -0.506 7.572 8.150 0.143 0.158 0.493 363 Y N 0.000 120.323 120.300 0.038 0.000 2.660 363 Y HA 0.000 nan 4.550 nan 0.000 0.201 363 Y CA 0.000 58.115 58.100 0.026 0.000 1.940 363 Y CB 0.000 38.461 38.460 0.001 0.000 1.050 363 Y HN 0.000 8.321 8.280 0.234 0.100 0.758