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 3o0y_1_C DATA FIRST_RESID 25 DATA SEQUENCE ISSKQQLASL YLQAKQSLFK QRALSATMYG LSQKDIGQVI SSDMEFYSPE DATA SEQUENCE NEKQLRAELL SISNTIAGIK LDDADITTKN NQQVMAGLTR YFAGEPNFNI DATA SEQUENCE GYIDTWMGLS PFIVNQINGP LIDIPRVMQN DQPITTEKEA LDYIVRLGQF DATA SEQUENCE DKLAATIIEK QTADAAQNWL PSKVTLQGAI KYLKGFTSGS AEQHPFVNVF DATA SEQUENCE REKIEKVDSL TTEQKQSLIT QVIAKVSQVV YPAYQSVEKA SEQLLSEARS DATA SEQUENCE ESGIWAQPKG SVYYQDAIKQ LGDSELSPTQ IHQIGLDEVA RISGVMNEIL DATA SEQUENCE LAQGYTKGTV GERMVALNEE PRFLYEDSIA GREELLSDIN GYITEVTAKM DATA SEQUENCE APVFRTTPSY QVEVKSFPVE VQDGAPGGQY TSPAVDGSKP GIYWINLRDM DATA SEQUENCE KANPKFGLKT LTYHEANPGH HWQIALNLDQ AELPFLRRIA PYNAYTEGWA DATA SEQUENCE LYSEQVAYEL GMYENDPFGD LGRLQAELFR AVRLVVDTGL HDKRWTREQA DATA SEQUENCE ISYMSEQTGT AESDVVAEIE RYMAWPGQAL GYKLGMLKIL SLREQAKARL DATA SEQUENCE GDKFDLAEFH DVVLLNGAVP MAVLSRNVNH WLDNK 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 25 I HA 0.000 nan 4.170 nan 0.000 0.288 25 I C 0.000 176.102 176.117 -0.025 0.000 1.063 25 I CA 0.000 61.287 61.300 -0.022 0.000 1.566 25 I CB 0.000 37.984 38.000 -0.027 0.000 1.214 26 S N 3.134 118.819 115.700 -0.025 0.000 2.589 26 S HA 0.242 4.606 4.470 -0.177 0.000 0.265 26 S C 1.063 175.642 174.600 -0.034 0.000 1.342 26 S CA 0.088 58.273 58.200 -0.025 0.000 1.005 26 S CB 1.550 64.737 63.200 -0.021 0.000 0.909 26 S HN 0.610 nan 8.310 nan 0.000 0.555 27 S N 1.396 117.078 115.700 -0.031 0.000 2.353 27 S HA -0.130 4.234 4.470 -0.177 0.000 0.222 27 S C 1.869 176.434 174.600 -0.057 0.000 1.035 27 S CA 1.558 59.734 58.200 -0.039 0.000 1.025 27 S CB -0.534 62.651 63.200 -0.024 0.000 0.902 27 S HN 0.761 nan 8.310 nan 0.000 0.440 28 K N 0.687 121.061 120.400 -0.044 0.000 2.063 28 K HA -0.154 4.060 4.320 -0.177 0.000 0.208 28 K C 2.498 179.047 176.600 -0.084 0.000 1.048 28 K CA 1.366 57.623 56.287 -0.050 0.000 0.928 28 K CB -0.162 32.326 32.500 -0.020 0.000 0.713 28 K HN 0.352 nan 8.250 nan 0.000 0.442 29 Q N 0.303 120.062 119.800 -0.068 0.000 2.079 29 Q HA -0.170 4.064 4.340 -0.177 0.000 0.200 29 Q C 2.103 178.041 176.000 -0.104 0.000 0.974 29 Q CA 1.345 57.105 55.803 -0.071 0.000 0.840 29 Q CB 0.188 28.898 28.738 -0.046 0.000 0.898 29 Q HN 0.345 nan 8.270 nan 0.000 0.430 30 Q N 0.012 119.749 119.800 -0.105 0.000 2.050 30 Q HA -0.168 4.066 4.340 -0.177 0.000 0.202 30 Q C 2.184 178.060 176.000 -0.207 0.000 0.980 30 Q CA 1.129 56.861 55.803 -0.117 0.000 0.840 30 Q CB -0.071 28.615 28.738 -0.087 0.000 0.898 30 Q HN 0.375 nan 8.270 nan 0.000 0.424 31 L N 0.182 121.234 121.223 -0.285 0.000 2.012 31 L HA -0.236 3.998 4.340 -0.177 0.000 0.210 31 L C 2.533 178.813 176.870 -0.983 0.000 1.073 31 L CA 1.198 55.665 54.840 -0.622 0.000 0.748 31 L CB -0.633 41.114 42.059 -0.520 0.000 0.891 31 L HN 0.228 nan 8.230 nan 0.000 0.431 32 A N -0.936 121.556 122.820 -0.547 0.000 1.940 32 A HA -0.218 3.996 4.320 -0.177 0.000 0.219 32 A C 2.490 179.956 177.584 -0.197 0.000 1.176 32 A CA 2.210 54.056 52.037 -0.318 0.000 0.631 32 A CB -0.611 18.329 19.000 -0.099 0.000 0.814 32 A HN 0.408 nan 8.150 nan 0.000 0.446 33 S N -0.299 115.296 115.700 -0.175 0.000 2.368 33 S HA -0.055 4.308 4.470 -0.177 0.000 0.224 33 S C 1.793 176.354 174.600 -0.066 0.000 1.029 33 S CA 1.347 59.495 58.200 -0.087 0.000 0.988 33 S CB -0.415 62.742 63.200 -0.071 0.000 0.838 33 S HN 0.519 nan 8.310 nan 0.000 0.462 34 L N 0.124 121.270 121.223 -0.129 0.000 2.083 34 L HA -0.134 4.100 4.340 -0.177 0.000 0.209 34 L C 2.242 179.175 176.870 0.106 0.000 1.083 34 L CA 1.144 55.959 54.840 -0.042 0.000 0.752 34 L CB -0.618 41.397 42.059 -0.074 0.000 0.899 34 L HN 0.313 nan 8.230 nan 0.000 0.433 35 Y N -0.853 119.468 120.300 0.035 0.000 2.263 35 Y HA -0.187 4.257 4.550 -0.176 0.000 0.292 35 Y C 2.249 178.186 175.900 0.063 0.000 1.130 35 Y CA 0.438 58.569 58.100 0.052 0.000 1.179 35 Y CB -0.827 37.663 38.460 0.049 0.000 0.998 35 Y HN 0.077 nan 8.280 nan 0.000 0.532 36 L N 0.403 121.737 121.223 0.186 0.000 2.056 36 L HA -0.162 4.071 4.340 -0.177 0.000 0.207 36 L C 2.412 179.335 176.870 0.089 0.000 1.078 36 L CA 1.767 56.676 54.840 0.116 0.000 0.749 36 L CB -0.890 41.206 42.059 0.061 0.000 0.901 36 L HN 0.257 nan 8.230 nan 0.000 0.433 37 Q N -0.790 119.054 119.800 0.073 0.000 2.124 37 Q HA -0.209 4.025 4.340 -0.177 0.000 0.202 37 Q C 2.076 178.118 176.000 0.071 0.000 0.977 37 Q CA 1.640 57.476 55.803 0.055 0.000 0.850 37 Q CB -0.130 28.630 28.738 0.037 0.000 0.901 37 Q HN 0.663 nan 8.270 nan 0.000 0.429 38 A N 1.371 124.255 122.820 0.106 0.000 1.873 38 A HA -0.207 4.007 4.320 -0.177 0.000 0.215 38 A C 2.041 179.681 177.584 0.094 0.000 1.186 38 A CA 1.605 53.703 52.037 0.101 0.000 0.616 38 A CB -0.578 18.509 19.000 0.145 0.000 0.823 38 A HN 0.376 nan 8.150 nan 0.000 0.442 39 K N -0.394 120.100 120.400 0.157 0.000 2.032 39 K HA -0.233 3.981 4.320 -0.177 0.000 0.209 39 K C 2.213 178.944 176.600 0.220 0.000 1.048 39 K CA 1.897 58.330 56.287 0.243 0.000 0.927 39 K CB -0.258 32.380 32.500 0.231 0.000 0.712 39 K HN 0.640 nan 8.250 nan 0.000 0.441 40 Q N -0.106 119.764 119.800 0.117 0.000 2.079 40 Q HA -0.081 4.153 4.340 -0.177 0.000 0.200 40 Q C 2.277 178.313 176.000 0.061 0.000 0.974 40 Q CA 1.564 57.417 55.803 0.083 0.000 0.840 40 Q CB 0.064 28.826 28.738 0.040 0.000 0.898 40 Q HN 0.280 nan 8.270 nan 0.000 0.430 41 S N 1.133 116.852 115.700 0.031 0.000 2.368 41 S HA -0.138 4.226 4.470 -0.177 0.000 0.225 41 S C 1.835 176.398 174.600 -0.061 0.000 1.030 41 S CA 0.968 59.163 58.200 -0.007 0.000 0.999 41 S CB -0.222 62.974 63.200 -0.007 0.000 0.844 41 S HN 0.234 nan 8.310 nan 0.000 0.459 42 L N 0.500 121.649 121.223 -0.124 0.000 2.044 42 L HA 0.130 4.364 4.340 -0.177 0.000 0.205 42 L C 1.729 178.389 176.870 -0.350 0.000 1.075 42 L CA 1.819 56.464 54.840 -0.324 0.000 0.747 42 L CB -0.724 40.993 42.059 -0.570 0.000 0.903 42 L HN 0.203 nan 8.230 nan 0.000 0.435 43 F N -0.090 119.820 119.950 -0.067 0.000 2.367 43 F HA -0.022 4.398 4.527 -0.178 0.000 0.298 43 F C 2.366 178.144 175.800 -0.038 0.000 1.094 43 F CA 0.902 58.879 58.000 -0.038 0.000 1.409 43 F CB -0.435 38.554 39.000 -0.019 0.000 1.064 43 F HN 0.013 nan 8.300 nan 0.000 0.528 44 K N -0.052 120.404 120.400 0.094 0.000 2.113 44 K HA -0.190 4.024 4.320 -0.177 0.000 0.208 44 K C 1.720 178.314 176.600 -0.010 0.000 1.047 44 K CA 1.377 57.687 56.287 0.038 0.000 0.928 44 K CB -0.081 32.431 32.500 0.019 0.000 0.716 44 K HN 0.274 nan 8.250 nan 0.000 0.446 45 Q N -0.407 119.359 119.800 -0.057 0.000 2.319 45 Q HA 0.061 4.295 4.340 -0.177 0.000 0.202 45 Q C 0.048 175.957 176.000 -0.152 0.000 0.896 45 Q CA 0.344 56.081 55.803 -0.111 0.000 0.942 45 Q CB 0.956 29.619 28.738 -0.124 0.000 1.083 45 Q HN 0.060 nan 8.270 nan 0.000 0.510 46 R N 0.227 120.667 120.500 -0.100 0.000 2.835 46 R HA 0.387 4.620 4.340 -0.177 0.000 0.290 46 R C 0.413 176.761 176.300 0.080 0.000 1.410 46 R CA -0.129 55.938 56.100 -0.054 0.000 1.590 46 R CB 0.527 30.745 30.300 -0.137 0.000 1.288 46 R HN 0.066 nan 8.270 nan 0.000 0.637 47 A N 0.581 123.420 122.820 0.032 0.000 2.015 47 A HA -0.101 4.112 4.320 -0.177 0.000 0.219 47 A C 1.819 179.468 177.584 0.108 0.000 1.163 47 A CA 1.076 53.159 52.037 0.076 0.000 0.646 47 A CB -0.031 18.973 19.000 0.007 0.000 0.806 47 A HN 0.350 nan 8.150 nan 0.000 0.448 48 L N -0.693 120.584 121.223 0.090 0.000 2.109 48 L HA -0.077 4.157 4.340 -0.177 0.000 0.207 48 L C 2.736 179.699 176.870 0.155 0.000 1.086 48 L CA 1.477 56.385 54.840 0.114 0.000 0.760 48 L CB -0.257 41.862 42.059 0.100 0.000 0.910 48 L HN 0.253 nan 8.230 nan 0.000 0.437 49 S N -0.340 115.489 115.700 0.215 0.000 2.383 49 S HA -0.160 4.204 4.470 -0.177 0.000 0.227 49 S C 2.239 177.102 174.600 0.438 0.000 1.026 49 S CA 1.027 59.420 58.200 0.321 0.000 0.981 49 S CB -0.364 63.105 63.200 0.448 0.000 0.818 49 S HN 0.490 nan 8.310 nan 0.000 0.472 50 A N 1.587 124.679 122.820 0.453 0.000 1.873 50 A HA -0.173 4.041 4.320 -0.177 0.000 0.218 50 A C 2.343 179.998 177.584 0.118 0.000 1.193 50 A CA 2.274 54.430 52.037 0.200 0.000 0.629 50 A CB -1.555 17.543 19.000 0.164 0.000 0.826 50 A HN 0.476 nan 8.150 nan 0.000 0.447 51 T N -0.292 114.335 114.554 0.122 0.000 2.665 51 T HA -0.246 3.998 4.350 -0.177 0.000 0.268 51 T C 1.922 176.670 174.700 0.080 0.000 1.035 51 T CA 1.815 63.974 62.100 0.097 0.000 1.151 51 T CB -0.341 68.593 68.868 0.110 0.000 0.862 51 T HN 0.511 nan 8.240 nan 0.000 0.438 52 M N -0.210 119.421 119.600 0.051 0.000 2.108 52 M HA -0.167 4.206 4.480 -0.177 0.000 0.261 52 M C 1.592 177.845 176.300 -0.077 0.000 1.066 52 M CA 1.839 57.111 55.300 -0.047 0.000 1.107 52 M CB -0.179 32.325 32.600 -0.161 0.000 1.356 52 M HN 0.274 nan 8.290 nan 0.000 0.406 53 Y N -0.141 120.200 120.300 0.069 0.000 2.544 53 Y HA 0.225 4.668 4.550 -0.178 0.000 0.286 53 Y C 1.560 177.477 175.900 0.028 0.000 1.141 53 Y CA 0.769 58.899 58.100 0.050 0.000 1.299 53 Y CB -0.100 38.383 38.460 0.039 0.000 1.030 53 Y HN 0.509 nan 8.280 nan 0.000 0.543 54 G N 0.556 109.438 108.800 0.136 0.000 2.165 54 G HA2 -0.246 3.607 3.960 -0.177 0.000 0.226 54 G HA3 -0.246 3.607 3.960 -0.177 0.000 0.226 54 G C -0.194 174.721 174.900 0.026 0.000 1.035 54 G CA -0.107 45.041 45.100 0.081 0.000 0.744 54 G HN 0.219 nan 8.290 nan 0.000 0.501 55 L N 0.651 121.859 121.223 -0.025 0.000 2.399 55 L HA 0.735 4.969 4.340 -0.177 0.000 0.266 55 L C 1.066 177.891 176.870 -0.075 0.000 1.114 55 L CA 0.082 54.842 54.840 -0.133 0.000 0.804 55 L CB 1.497 43.373 42.059 -0.304 0.000 1.146 55 L HN 0.522 nan 8.230 nan 0.000 0.451 56 S N -0.108 115.539 115.700 -0.088 0.000 2.903 56 S HA 0.180 4.544 4.470 -0.177 0.000 0.314 56 S C 0.415 174.983 174.600 -0.053 0.000 1.177 56 S CA -0.565 57.607 58.200 -0.046 0.000 0.859 56 S CB 1.371 64.556 63.200 -0.026 0.000 1.265 56 S HN 0.642 nan 8.310 nan 0.000 0.584 57 Q N 1.356 121.139 119.800 -0.030 0.000 2.096 57 Q HA -0.202 4.032 4.340 -0.177 0.000 0.204 57 Q C 1.872 177.848 176.000 -0.041 0.000 0.982 57 Q CA 2.207 57.994 55.803 -0.026 0.000 0.850 57 Q CB -0.514 28.217 28.738 -0.012 0.000 0.901 57 Q HN 0.765 nan 8.270 nan 0.000 0.422 58 K N -0.377 119.995 120.400 -0.047 0.000 2.147 58 K HA -0.156 4.058 4.320 -0.177 0.000 0.205 58 K C 1.246 177.797 176.600 -0.083 0.000 1.049 58 K CA 1.686 57.941 56.287 -0.053 0.000 0.936 58 K CB -0.015 32.457 32.500 -0.046 0.000 0.722 58 K HN 0.252 nan 8.250 nan 0.000 0.446 59 D N 0.970 121.296 120.400 -0.124 0.000 2.120 59 D HA -0.041 4.493 4.640 -0.177 0.000 0.202 59 D C 1.959 178.160 176.300 -0.163 0.000 0.972 59 D CA 0.950 54.827 54.000 -0.205 0.000 0.837 59 D CB 0.137 40.742 40.800 -0.325 0.000 0.989 59 D HN 0.204 nan 8.370 nan 0.000 0.469 60 I N -0.251 120.255 120.570 -0.108 0.000 2.867 60 I HA 0.090 4.154 4.170 -0.177 0.000 0.265 60 I C 1.845 177.949 176.117 -0.022 0.000 1.162 60 I CA 0.837 62.108 61.300 -0.049 0.000 1.471 60 I CB -0.806 37.183 38.000 -0.018 0.000 1.123 60 I HN 0.121 nan 8.210 nan 0.000 0.440 61 G N 1.202 109.987 108.800 -0.025 0.000 2.141 61 G HA2 -0.227 3.627 3.960 -0.177 0.000 0.231 61 G HA3 -0.227 3.627 3.960 -0.177 0.000 0.231 61 G C 0.230 175.128 174.900 -0.004 0.000 0.984 61 G CA 0.193 45.286 45.100 -0.013 0.000 0.660 61 G HN 0.453 nan 8.290 nan 0.000 0.525 62 Q N -1.072 118.726 119.800 -0.003 0.000 2.479 62 Q HA 0.479 4.713 4.340 -0.177 0.000 0.276 62 Q C -0.633 175.371 176.000 0.007 0.000 0.989 62 Q CA -0.808 54.998 55.803 0.006 0.000 0.864 62 Q CB 2.504 31.249 28.738 0.013 0.000 1.444 62 Q HN 0.275 nan 8.270 nan 0.000 0.388 63 V N 4.158 124.080 119.914 0.013 0.000 2.508 63 V HA 0.095 4.109 4.120 -0.177 0.000 0.281 63 V C 0.706 176.814 176.094 0.025 0.000 1.041 63 V CA 0.365 62.676 62.300 0.017 0.000 1.016 63 V CB 0.581 32.417 31.823 0.021 0.000 0.984 63 V HN 0.681 nan 8.190 nan 0.000 0.478 64 I N 1.897 122.484 120.570 0.028 0.000 4.240 64 I HA 0.163 4.227 4.170 -0.177 0.000 0.331 64 I C 1.751 177.893 176.117 0.042 0.000 1.381 64 I CA 0.600 61.920 61.300 0.034 0.000 1.136 64 I CB 0.114 38.138 38.000 0.041 0.000 1.137 64 I HN 0.466 nan 8.210 nan 0.000 0.411 65 S N 0.909 116.637 115.700 0.046 0.000 2.447 65 S HA -0.068 4.296 4.470 -0.177 0.000 0.233 65 S C 1.622 176.265 174.600 0.071 0.000 1.006 65 S CA 0.926 59.162 58.200 0.061 0.000 0.957 65 S CB -0.857 62.379 63.200 0.059 0.000 0.773 65 S HN 0.660 nan 8.310 nan 0.000 0.507 66 S N -0.094 115.643 115.700 0.060 0.000 2.663 66 S HA 0.340 4.704 4.470 -0.177 0.000 0.243 66 S C -0.611 174.016 174.600 0.045 0.000 1.009 66 S CA -0.736 57.502 58.200 0.062 0.000 0.988 66 S CB -0.010 63.228 63.200 0.063 0.000 0.896 66 S HN 0.179 nan 8.310 nan 0.000 0.502 67 D N 2.092 122.509 120.400 0.029 0.000 2.312 67 D HA 0.585 5.119 4.640 -0.177 0.000 0.248 67 D C -0.303 175.950 176.300 -0.077 0.000 1.086 67 D CA -0.175 53.824 54.000 -0.002 0.000 0.948 67 D CB 1.122 41.920 40.800 -0.003 0.000 1.162 67 D HN 0.296 nan 8.370 nan 0.000 0.446 68 M N 0.471 119.937 119.600 -0.223 0.000 2.724 68 M HA 0.344 4.718 4.480 -0.177 0.000 0.310 68 M C -0.968 174.860 176.300 -0.787 0.000 1.217 68 M CA -0.462 54.566 55.300 -0.452 0.000 0.894 68 M CB 1.724 34.042 32.600 -0.470 0.000 1.719 68 M HN 0.166 nan 8.290 nan 0.000 0.479 69 E N 1.338 121.119 120.200 -0.698 0.000 2.266 69 E HA 0.535 4.779 4.350 -0.177 0.000 0.277 69 E C -1.579 174.451 176.600 -0.952 0.000 1.018 69 E CA -0.170 55.819 56.400 -0.685 0.000 0.840 69 E CB 1.038 30.554 29.700 -0.308 0.000 1.082 69 E HN 0.433 nan 8.360 nan 0.000 0.395 70 F N 0.761 120.473 119.950 -0.396 0.000 2.588 70 F HA 0.327 4.748 4.527 -0.176 0.000 0.314 70 F C -0.298 175.178 175.800 -0.541 0.000 1.069 70 F CA -0.772 57.053 58.000 -0.292 0.000 0.931 70 F CB 0.972 39.883 39.000 -0.148 0.000 1.260 70 F HN 0.438 nan 8.300 nan 0.000 0.465 71 Y N -0.323 120.064 120.300 0.145 0.000 2.715 71 Y HA 0.196 4.640 4.550 -0.177 0.000 0.255 71 Y C 0.778 176.709 175.900 0.052 0.000 1.139 71 Y CA -0.696 57.441 58.100 0.062 0.000 1.151 71 Y CB 0.321 38.782 38.460 0.002 0.000 1.201 71 Y HN 0.487 nan 8.280 nan 0.000 0.556 72 S N -0.334 115.439 115.700 0.121 0.000 2.576 72 S HA 0.088 4.452 4.470 -0.177 0.000 0.272 72 S C -1.687 172.951 174.600 0.063 0.000 1.352 72 S CA -0.913 57.331 58.200 0.073 0.000 1.021 72 S CB 1.297 64.511 63.200 0.023 0.000 0.887 72 S HN 0.010 nan 8.310 nan 0.000 0.542 73 P HA -0.154 nan 4.420 nan 0.000 0.216 73 P C 1.466 178.777 177.300 0.019 0.000 1.154 73 P CA 1.589 64.709 63.100 0.033 0.000 0.865 73 P CB 0.039 31.751 31.700 0.021 0.000 0.789 74 E N -0.402 119.804 120.200 0.009 0.000 2.072 74 E HA -0.156 4.088 4.350 -0.177 0.000 0.191 74 E C 1.691 178.290 176.600 -0.001 0.000 0.985 74 E CA 1.518 57.918 56.400 -0.001 0.000 0.801 74 E CB -0.993 28.702 29.700 -0.009 0.000 0.750 74 E HN 0.253 nan 8.360 nan 0.000 0.452 75 N N 0.079 118.780 118.700 0.003 0.000 2.036 75 N HA -0.177 4.456 4.740 -0.177 0.000 0.195 75 N C 1.675 177.177 175.510 -0.012 0.000 1.037 75 N CA 1.372 54.417 53.050 -0.008 0.000 0.855 75 N CB -0.100 38.379 38.487 -0.013 0.000 1.033 75 N HN 0.113 nan 8.380 nan 0.000 0.423 76 E N 1.067 121.276 120.200 0.014 0.000 2.077 76 E HA -0.178 4.066 4.350 -0.177 0.000 0.193 76 E C 1.838 178.442 176.600 0.007 0.000 0.989 76 E CA 0.842 57.258 56.400 0.026 0.000 0.800 76 E CB -0.132 29.610 29.700 0.070 0.000 0.746 76 E HN 0.361 nan 8.360 nan 0.000 0.452 77 K N 0.831 121.233 120.400 0.003 0.000 2.026 77 K HA -0.183 4.031 4.320 -0.177 0.000 0.208 77 K C 2.138 178.733 176.600 -0.008 0.000 1.048 77 K CA 1.448 57.732 56.287 -0.005 0.000 0.929 77 K CB 0.048 32.544 32.500 -0.007 0.000 0.713 77 K HN 0.072 nan 8.250 nan 0.000 0.439 78 Q N 0.244 120.038 119.800 -0.010 0.000 2.123 78 Q HA -0.133 4.101 4.340 -0.177 0.000 0.199 78 Q C 2.133 178.124 176.000 -0.015 0.000 0.966 78 Q CA 0.925 56.721 55.803 -0.011 0.000 0.845 78 Q CB -0.060 28.672 28.738 -0.012 0.000 0.907 78 Q HN 0.238 nan 8.270 nan 0.000 0.439 79 L N 1.204 122.414 121.223 -0.021 0.000 1.989 79 L HA -0.208 4.025 4.340 -0.177 0.000 0.211 79 L C 2.111 178.970 176.870 -0.018 0.000 1.071 79 L CA 1.835 56.658 54.840 -0.030 0.000 0.749 79 L CB -0.300 41.732 42.059 -0.045 0.000 0.890 79 L HN 0.011 nan 8.230 nan 0.000 0.431 80 R N -0.454 120.038 120.500 -0.012 0.000 2.081 80 R HA -0.104 4.129 4.340 -0.177 0.000 0.235 80 R C 2.247 178.545 176.300 -0.003 0.000 1.131 80 R CA 1.323 57.419 56.100 -0.007 0.000 0.960 80 R CB -0.758 29.534 30.300 -0.012 0.000 0.856 80 R HN 0.544 nan 8.270 nan 0.000 0.436 81 A N 1.121 123.938 122.820 -0.006 0.000 1.930 81 A HA -0.216 3.998 4.320 -0.177 0.000 0.217 81 A C 2.063 179.648 177.584 0.001 0.000 1.175 81 A CA 1.473 53.508 52.037 -0.003 0.000 0.627 81 A CB -0.377 18.619 19.000 -0.006 0.000 0.815 81 A HN 0.427 nan 8.150 nan 0.000 0.443 82 E N -0.085 120.115 120.200 -0.000 0.000 2.051 82 E HA -0.159 4.085 4.350 -0.177 0.000 0.192 82 E C 1.910 178.518 176.600 0.014 0.000 0.991 82 E CA 1.151 57.553 56.400 0.004 0.000 0.799 82 E CB -0.229 29.470 29.700 -0.002 0.000 0.748 82 E HN 0.605 nan 8.360 nan 0.000 0.449 83 L N 0.482 121.715 121.223 0.017 0.000 2.046 83 L HA -0.179 4.054 4.340 -0.177 0.000 0.208 83 L C 2.626 179.520 176.870 0.040 0.000 1.077 83 L CA 0.511 55.374 54.840 0.039 0.000 0.747 83 L CB -0.388 41.703 42.059 0.054 0.000 0.896 83 L HN 0.296 nan 8.230 nan 0.000 0.432 84 L N -0.883 120.355 121.223 0.024 0.000 2.027 84 L HA -0.188 4.046 4.340 -0.177 0.000 0.206 84 L C 2.706 179.588 176.870 0.020 0.000 1.074 84 L CA 1.927 56.778 54.840 0.019 0.000 0.745 84 L CB -0.696 41.368 42.059 0.007 0.000 0.898 84 L HN 0.157 nan 8.230 nan 0.000 0.433 85 S N -0.574 115.136 115.700 0.017 0.000 2.359 85 S HA -0.202 4.162 4.470 -0.177 0.000 0.224 85 S C 2.061 176.675 174.600 0.024 0.000 1.035 85 S CA 1.846 60.056 58.200 0.015 0.000 1.018 85 S CB -0.461 62.746 63.200 0.010 0.000 0.876 85 S HN 0.498 nan 8.310 nan 0.000 0.448 86 I N 0.717 121.306 120.570 0.033 0.000 2.179 86 I HA -0.154 3.910 4.170 -0.177 0.000 0.242 86 I C 2.761 178.914 176.117 0.060 0.000 1.088 86 I CA 1.371 62.699 61.300 0.048 0.000 1.357 86 I CB -0.587 37.451 38.000 0.064 0.000 1.051 86 I HN 0.342 nan 8.210 nan 0.000 0.409 87 S N 1.008 116.743 115.700 0.058 0.000 2.359 87 S HA -0.211 4.152 4.470 -0.177 0.000 0.224 87 S C 1.914 176.541 174.600 0.045 0.000 1.035 87 S CA 1.912 60.146 58.200 0.057 0.000 1.018 87 S CB -0.295 62.931 63.200 0.043 0.000 0.876 87 S HN 0.405 nan 8.310 nan 0.000 0.448 88 N N 0.643 119.361 118.700 0.031 0.000 2.142 88 N HA -0.042 4.592 4.740 -0.177 0.000 0.186 88 N C 1.813 177.336 175.510 0.023 0.000 1.023 88 N CA 1.751 54.814 53.050 0.022 0.000 0.852 88 N CB -1.140 37.355 38.487 0.014 0.000 0.998 88 N HN 0.452 nan 8.380 nan 0.000 0.424 89 T N 1.776 116.344 114.554 0.023 0.000 2.746 89 T HA 0.011 4.255 4.350 -0.177 0.000 0.267 89 T C 2.128 176.841 174.700 0.022 0.000 1.039 89 T CA 0.650 62.760 62.100 0.017 0.000 1.142 89 T CB -0.186 68.689 68.868 0.010 0.000 0.866 89 T HN 0.170 nan 8.240 nan 0.000 0.444 90 I N 1.516 122.114 120.570 0.047 0.000 2.163 90 I HA -0.228 3.836 4.170 -0.177 0.000 0.243 90 I C 2.909 179.063 176.117 0.061 0.000 1.085 90 I CA 1.337 62.682 61.300 0.075 0.000 1.347 90 I CB -0.470 37.626 38.000 0.159 0.000 1.044 90 I HN 0.201 nan 8.210 nan 0.000 0.408 91 A N 0.567 123.417 122.820 0.050 0.000 2.015 91 A HA -0.079 4.134 4.320 -0.177 0.000 0.219 91 A C 2.335 179.933 177.584 0.023 0.000 1.163 91 A CA 1.700 53.758 52.037 0.035 0.000 0.646 91 A CB -1.148 17.868 19.000 0.026 0.000 0.806 91 A HN 0.500 nan 8.150 nan 0.000 0.448 92 G N -0.644 108.167 108.800 0.018 0.000 2.623 92 G HA2 0.200 4.054 3.960 -0.177 0.000 0.214 92 G HA3 0.200 4.054 3.960 -0.177 0.000 0.214 92 G C 0.630 175.533 174.900 0.006 0.000 1.138 92 G CA -0.089 45.017 45.100 0.009 0.000 0.794 92 G HN 0.451 nan 8.290 nan 0.000 0.535 93 I N 0.959 121.532 120.570 0.006 0.000 2.618 93 I HA 0.099 4.163 4.170 -0.177 0.000 0.284 93 I C 0.142 176.259 176.117 0.001 0.000 1.146 93 I CA -0.296 61.003 61.300 -0.002 0.000 1.425 93 I CB 1.062 39.056 38.000 -0.011 0.000 1.383 93 I HN -0.174 nan 8.210 nan 0.000 0.562 94 K N 6.040 126.438 120.400 -0.003 0.000 2.276 94 K HA 0.375 4.589 4.320 -0.177 0.000 0.285 94 K C -1.042 175.557 176.600 -0.002 0.000 1.062 94 K CA -0.448 55.839 56.287 -0.001 0.000 0.918 94 K CB 0.469 32.968 32.500 -0.002 0.000 1.055 94 K HN 0.252 nan 8.250 nan 0.000 0.477 95 L N 3.106 124.329 121.223 0.001 0.000 2.305 95 L HA 0.189 4.423 4.340 -0.177 0.000 0.281 95 L C 0.073 176.942 176.870 -0.000 0.000 1.085 95 L CA -0.057 54.784 54.840 0.001 0.000 0.813 95 L CB 1.081 43.143 42.059 0.005 0.000 1.157 95 L HN 0.575 nan 8.230 nan 0.000 0.436 96 D N 3.065 123.464 120.400 -0.002 0.000 2.545 96 D HA -0.004 4.530 4.640 -0.177 0.000 0.227 96 D C -0.045 176.255 176.300 0.000 0.000 1.150 96 D CA 0.125 54.124 54.000 -0.001 0.000 1.046 96 D CB -0.292 40.506 40.800 -0.002 0.000 1.098 96 D HN 0.428 nan 8.370 nan 0.000 0.502 97 D N 1.710 122.110 120.400 0.001 0.000 2.802 97 D HA -0.233 4.301 4.640 -0.177 0.000 0.229 97 D C -0.424 175.877 176.300 0.001 0.000 1.203 97 D CA 0.627 54.628 54.000 0.002 0.000 0.712 97 D CB -0.694 40.108 40.800 0.004 0.000 0.973 97 D HN 0.445 nan 8.370 nan 0.000 0.407 98 A N 1.740 124.560 122.820 -0.001 0.000 2.296 98 A HA 0.417 4.630 4.320 -0.177 0.000 0.264 98 A C 0.795 178.374 177.584 -0.008 0.000 1.097 98 A CA -0.031 52.005 52.037 -0.002 0.000 0.811 98 A CB 0.531 19.531 19.000 0.000 0.000 1.072 98 A HN 0.473 nan 8.150 nan 0.000 0.495 99 D N -0.661 119.731 120.400 -0.012 0.000 2.414 99 D HA 0.017 4.551 4.640 -0.177 0.000 0.251 99 D C 1.205 177.471 176.300 -0.055 0.000 1.252 99 D CA -0.440 53.544 54.000 -0.027 0.000 0.999 99 D CB 0.363 41.150 40.800 -0.021 0.000 1.093 99 D HN 0.384 nan 8.370 nan 0.000 0.515 100 I N -0.507 119.998 120.570 -0.109 0.000 2.264 100 I HA -0.292 3.772 4.170 -0.177 0.000 0.248 100 I C 1.770 177.819 176.117 -0.112 0.000 1.111 100 I CA 1.380 62.584 61.300 -0.159 0.000 1.382 100 I CB -0.100 37.686 38.000 -0.358 0.000 1.060 100 I HN 0.396 nan 8.210 nan 0.000 0.418 101 T N 0.110 114.611 114.554 -0.088 0.000 2.746 101 T HA -0.155 4.089 4.350 -0.177 0.000 0.267 101 T C 1.711 176.391 174.700 -0.033 0.000 1.039 101 T CA 2.051 64.114 62.100 -0.062 0.000 1.142 101 T CB -0.396 68.445 68.868 -0.045 0.000 0.866 101 T HN 0.432 nan 8.240 nan 0.000 0.444 102 T N 1.743 116.288 114.554 -0.015 0.000 2.737 102 T HA -0.048 4.196 4.350 -0.177 0.000 0.265 102 T C 1.961 176.671 174.700 0.017 0.000 1.038 102 T CA 1.218 63.328 62.100 0.017 0.000 1.144 102 T CB -0.162 68.716 68.868 0.017 0.000 0.866 102 T HN 0.432 nan 8.240 nan 0.000 0.434 103 K N 1.190 121.584 120.400 -0.009 0.000 2.032 103 K HA -0.167 4.047 4.320 -0.177 0.000 0.209 103 K C 2.066 178.652 176.600 -0.025 0.000 1.048 103 K CA 1.562 57.842 56.287 -0.013 0.000 0.927 103 K CB -0.123 32.360 32.500 -0.028 0.000 0.712 103 K HN 0.106 nan 8.250 nan 0.000 0.441 104 N N 1.064 119.734 118.700 -0.050 0.000 2.120 104 N HA -0.131 4.503 4.740 -0.177 0.000 0.188 104 N C 1.390 176.854 175.510 -0.077 0.000 1.024 104 N CA 1.464 54.470 53.050 -0.074 0.000 0.852 104 N CB -0.572 37.855 38.487 -0.099 0.000 1.003 104 N HN 0.360 nan 8.380 nan 0.000 0.424 105 N N 0.603 119.267 118.700 -0.059 0.000 2.069 105 N HA -0.212 4.422 4.740 -0.177 0.000 0.191 105 N C 1.737 177.202 175.510 -0.075 0.000 1.031 105 N CA 0.922 53.914 53.050 -0.095 0.000 0.852 105 N CB -0.055 38.429 38.487 -0.006 0.000 1.018 105 N HN 0.390 nan 8.380 nan 0.000 0.423 106 Q N 1.136 120.974 119.800 0.063 0.000 2.050 106 Q HA -0.253 3.981 4.340 -0.177 0.000 0.202 106 Q C 2.152 178.174 176.000 0.037 0.000 0.980 106 Q CA 1.437 57.313 55.803 0.122 0.000 0.840 106 Q CB -0.019 28.785 28.738 0.111 0.000 0.898 106 Q HN 0.397 nan 8.270 nan 0.000 0.424 107 Q N -0.392 119.405 119.800 -0.005 0.000 2.084 107 Q HA -0.141 4.093 4.340 -0.177 0.000 0.202 107 Q C 2.012 177.988 176.000 -0.040 0.000 0.978 107 Q CA 1.795 57.584 55.803 -0.024 0.000 0.844 107 Q CB 0.113 28.825 28.738 -0.043 0.000 0.898 107 Q HN 0.344 nan 8.270 nan 0.000 0.426 108 V N 0.549 120.419 119.914 -0.073 0.000 2.307 108 V HA -0.250 3.764 4.120 -0.177 0.000 0.245 108 V C 2.398 178.462 176.094 -0.051 0.000 1.045 108 V CA 1.447 63.710 62.300 -0.063 0.000 1.024 108 V CB -0.437 31.321 31.823 -0.108 0.000 0.651 108 V HN 0.480 nan 8.190 nan 0.000 0.449 109 M N -0.171 119.345 119.600 -0.139 0.000 2.229 109 M HA -0.061 4.313 4.480 -0.177 0.000 0.264 109 M C 2.341 178.640 176.300 -0.002 0.000 1.063 109 M CA 1.934 57.142 55.300 -0.154 0.000 1.114 109 M CB -1.342 30.964 32.600 -0.490 0.000 1.387 109 M HN 0.418 nan 8.290 nan 0.000 0.420 110 A N 0.080 122.917 122.820 0.029 0.000 1.898 110 A HA 0.045 4.259 4.320 -0.177 0.000 0.216 110 A C 2.414 180.013 177.584 0.025 0.000 1.181 110 A CA 1.797 53.863 52.037 0.047 0.000 0.620 110 A CB -1.310 17.716 19.000 0.042 0.000 0.819 110 A HN 0.485 nan 8.150 nan 0.000 0.442 111 G N -0.140 108.667 108.800 0.012 0.000 2.421 111 G HA2 -0.151 3.702 3.960 -0.177 0.000 0.216 111 G HA3 -0.151 3.702 3.960 -0.177 0.000 0.216 111 G C 1.570 176.449 174.900 -0.036 0.000 1.171 111 G CA 1.001 46.106 45.100 0.008 0.000 0.775 111 G HN 0.410 nan 8.290 nan 0.000 0.543 112 L N 1.111 122.298 121.223 -0.060 0.000 2.046 112 L HA -0.110 4.124 4.340 -0.177 0.000 0.208 112 L C 3.408 180.277 176.870 -0.002 0.000 1.077 112 L CA 1.852 56.597 54.840 -0.157 0.000 0.747 112 L CB -0.857 41.141 42.059 -0.102 0.000 0.896 112 L HN 0.438 nan 8.230 nan 0.000 0.432 113 T N -2.355 112.252 114.554 0.088 0.000 2.788 113 T HA -0.245 3.999 4.350 -0.177 0.000 0.268 113 T C 1.916 176.666 174.700 0.083 0.000 1.044 113 T CA 1.167 63.354 62.100 0.145 0.000 1.139 113 T CB -0.325 68.615 68.868 0.120 0.000 0.867 113 T HN 0.117 nan 8.240 nan 0.000 0.454 114 R N 0.423 120.940 120.500 0.028 0.000 2.096 114 R HA -0.072 4.162 4.340 -0.177 0.000 0.235 114 R C 2.136 178.409 176.300 -0.044 0.000 1.127 114 R CA 1.333 57.431 56.100 -0.004 0.000 0.968 114 R CB -1.449 28.846 30.300 -0.009 0.000 0.861 114 R HN 0.572 nan 8.270 nan 0.000 0.440 115 Y N -0.135 119.999 120.300 -0.276 0.000 2.181 115 Y HA -0.153 4.291 4.550 -0.177 0.000 0.288 115 Y C 1.302 176.938 175.900 -0.440 0.000 1.146 115 Y CA 1.874 59.700 58.100 -0.456 0.000 1.164 115 Y CB -0.318 37.699 38.460 -0.738 0.000 0.982 115 Y HN 0.079 nan 8.280 nan 0.000 0.515 116 F N -0.521 119.367 119.950 -0.104 0.000 2.512 116 F HA 0.140 4.560 4.527 -0.178 0.000 0.296 116 F C 2.448 178.149 175.800 -0.165 0.000 1.110 116 F CA 0.658 58.541 58.000 -0.195 0.000 1.446 116 F CB -1.077 37.860 39.000 -0.105 0.000 1.092 116 F HN 0.125 nan 8.300 nan 0.000 0.554 117 A N 0.164 123.003 122.820 0.031 0.000 2.066 117 A HA 0.374 4.588 4.320 -0.177 0.000 0.218 117 A C 1.676 179.224 177.584 -0.060 0.000 1.157 117 A CA 0.930 52.964 52.037 -0.005 0.000 0.670 117 A CB -1.221 17.781 19.000 0.003 0.000 0.804 117 A HN 0.505 nan 8.150 nan 0.000 0.453 118 G N -0.736 107.987 108.800 -0.128 0.000 2.888 118 G HA2 -0.175 3.679 3.960 -0.177 0.000 0.441 118 G HA3 -0.175 3.679 3.960 -0.177 0.000 0.441 118 G C -0.338 174.499 174.900 -0.105 0.000 1.461 118 G CA -0.115 44.884 45.100 -0.169 0.000 0.897 118 G HN 0.453 nan 8.290 nan 0.000 0.547 119 E N 1.347 121.477 120.200 -0.117 0.000 2.480 119 E HA 0.061 4.305 4.350 -0.177 0.000 0.258 119 E C -0.559 176.080 176.600 0.064 0.000 0.984 119 E CA -0.580 55.804 56.400 -0.027 0.000 0.930 119 E CB 0.915 30.581 29.700 -0.056 0.000 0.936 119 E HN 0.239 nan 8.360 nan 0.000 0.466 120 P HA -0.096 nan 4.420 nan 0.000 0.221 120 P C 0.123 177.434 177.300 0.017 0.000 1.150 120 P CA 1.173 64.287 63.100 0.022 0.000 0.800 120 P CB 0.228 31.932 31.700 0.008 0.000 0.787 121 N N -1.615 117.112 118.700 0.044 0.000 2.336 121 N HA 0.098 4.732 4.740 -0.177 0.000 0.189 121 N C -0.424 174.915 175.510 -0.285 0.000 1.113 121 N CA -0.077 52.914 53.050 -0.099 0.000 0.858 121 N CB -0.176 38.230 38.487 -0.135 0.000 0.970 121 N HN 0.104 nan 8.380 nan 0.000 0.471 122 F N 1.268 121.161 119.950 -0.095 0.000 2.382 122 F HA 0.262 4.683 4.527 -0.176 0.000 0.361 122 F C 0.777 176.468 175.800 -0.182 0.000 1.109 122 F CA -1.173 56.728 58.000 -0.165 0.000 1.031 122 F CB 0.891 39.792 39.000 -0.165 0.000 1.234 122 F HN 0.046 nan 8.300 nan 0.000 0.445 123 N N 2.648 121.294 118.700 -0.090 0.000 2.336 123 N HA -0.002 4.632 4.740 -0.177 0.000 0.189 123 N C 0.233 175.671 175.510 -0.119 0.000 1.113 123 N CA 0.008 53.010 53.050 -0.080 0.000 0.858 123 N CB -0.263 38.183 38.487 -0.069 0.000 0.970 123 N HN 0.432 nan 8.380 nan 0.000 0.471 124 I N -1.998 118.425 120.570 -0.246 0.000 3.327 124 I HA 0.579 4.643 4.170 -0.177 0.000 0.280 124 I C 1.321 177.275 176.117 -0.271 0.000 1.207 124 I CA -0.101 60.962 61.300 -0.396 0.000 1.280 124 I CB -0.484 36.863 38.000 -1.089 0.000 1.417 124 I HN 0.262 nan 8.210 nan 0.000 0.639 125 G N 1.540 110.240 108.800 -0.165 0.000 2.569 125 G HA2 -0.145 3.708 3.960 -0.177 0.000 0.259 125 G HA3 -0.145 3.708 3.960 -0.177 0.000 0.259 125 G C -0.754 174.245 174.900 0.165 0.000 1.263 125 G CA 0.584 45.696 45.100 0.020 0.000 0.928 125 G HN 1.968 nan 8.290 nan 0.000 0.572 126 Y N -2.564 117.736 120.300 -0.001 0.000 2.609 126 Y HA 0.740 5.184 4.550 -0.177 0.000 0.336 126 Y C -0.383 175.535 175.900 0.030 0.000 1.129 126 Y CA -1.944 56.190 58.100 0.057 0.000 1.040 126 Y CB 1.031 39.543 38.460 0.086 0.000 1.310 126 Y HN 0.655 nan 8.280 nan 0.000 0.460 127 I N 3.314 123.891 120.570 0.012 0.000 2.352 127 I HA 0.164 4.228 4.170 -0.177 0.000 0.290 127 I C -0.154 175.967 176.117 0.006 0.000 1.036 127 I CA -0.122 61.122 61.300 -0.093 0.000 1.336 127 I CB 0.615 38.611 38.000 -0.007 0.000 1.407 127 I HN 0.737 nan 8.210 nan 0.000 0.497 128 D N 4.595 124.888 120.400 -0.178 0.000 2.177 128 D HA 0.122 4.655 4.640 -0.177 0.000 0.247 128 D C 1.062 177.451 176.300 0.149 0.000 1.063 128 D CA -0.181 53.853 54.000 0.056 0.000 0.867 128 D CB 2.100 42.859 40.800 -0.069 0.000 1.168 128 D HN 0.652 nan 8.370 nan 0.000 0.445 129 T N 0.599 115.275 114.554 0.204 0.000 3.072 129 T HA -0.095 4.149 4.350 -0.177 0.000 0.266 129 T C 1.419 176.416 174.700 0.495 0.000 1.127 129 T CA 0.193 62.414 62.100 0.202 0.000 1.107 129 T CB -0.124 68.793 68.868 0.081 0.000 0.910 129 T HN 0.605 nan 8.240 nan 0.000 0.513 130 W N 0.854 122.294 121.300 0.233 0.000 2.726 130 W HA 0.462 5.015 4.660 -0.177 0.000 0.285 130 W C 1.940 178.548 176.519 0.149 0.000 1.110 130 W CA -0.142 57.316 57.345 0.188 0.000 1.579 130 W CB 0.039 29.549 29.460 0.082 0.000 1.118 130 W HN 0.092 nan 8.180 nan 0.000 0.556 131 M N 1.059 120.345 119.600 -0.523 0.000 2.556 131 M HA 0.206 4.580 4.480 -0.177 0.000 0.245 131 M C 1.347 177.200 176.300 -0.745 0.000 1.128 131 M CA 1.210 55.927 55.300 -0.972 0.000 1.069 131 M CB -0.403 31.512 32.600 -1.141 0.000 1.469 131 M HN 0.286 nan 8.290 nan 0.000 0.494 132 G N 1.439 109.797 108.800 -0.737 0.000 2.547 132 G HA2 -0.337 3.517 3.960 -0.177 0.000 0.271 132 G HA3 -0.337 3.517 3.960 -0.177 0.000 0.271 132 G C -0.450 174.057 174.900 -0.656 0.000 1.209 132 G CA -0.138 44.332 45.100 -1.050 0.000 0.959 132 G HN 0.384 nan 8.290 nan 0.000 0.563 133 L N 1.328 122.181 121.223 -0.617 0.000 2.534 133 L HA 0.543 4.777 4.340 -0.177 0.000 0.271 133 L C 0.428 177.063 176.870 -0.391 0.000 1.178 133 L CA 0.893 55.478 54.840 -0.424 0.000 0.907 133 L CB 0.469 42.326 42.059 -0.337 0.000 1.164 133 L HN 0.719 nan 8.230 nan 0.000 0.482 134 S N 7.050 122.479 115.700 -0.450 0.000 2.502 134 S HA 0.531 4.895 4.470 -0.177 0.000 0.304 134 S C -1.954 172.521 174.600 -0.209 0.000 1.097 134 S CA -0.705 57.269 58.200 -0.377 0.000 1.045 134 S CB 1.929 64.709 63.200 -0.699 0.000 1.019 134 S HN 0.614 nan 8.310 nan 0.000 0.481 135 P HA 0.121 nan 4.420 nan 0.000 0.224 135 P C -0.438 176.704 177.300 -0.264 0.000 1.157 135 P CA 0.727 63.604 63.100 -0.372 0.000 0.799 135 P CB 0.099 31.252 31.700 -0.912 0.000 0.809 136 F N -0.286 119.871 119.950 0.345 0.000 2.500 136 F HA 0.363 4.784 4.527 -0.177 0.000 0.349 136 F C 1.535 177.509 175.800 0.291 0.000 1.127 136 F CA -1.244 56.930 58.000 0.289 0.000 0.998 136 F CB 0.818 39.928 39.000 0.183 0.000 1.237 136 F HN -0.272 nan 8.300 nan 0.000 0.439 137 I N 1.753 122.549 120.570 0.377 0.000 2.493 137 I HA -0.029 4.034 4.170 -0.177 0.000 0.254 137 I C -0.149 175.917 176.117 -0.084 0.000 1.160 137 I CA 1.148 62.495 61.300 0.078 0.000 1.445 137 I CB 0.301 38.294 38.000 -0.012 0.000 1.086 137 I HN 0.148 nan 8.210 nan 0.000 0.433 138 V N 4.472 124.411 119.914 0.042 0.000 2.378 138 V HA 0.350 4.364 4.120 -0.177 0.000 0.288 138 V C -0.398 175.734 176.094 0.064 0.000 1.016 138 V CA -0.632 61.666 62.300 -0.004 0.000 0.840 138 V CB 1.048 32.855 31.823 -0.026 0.000 0.994 138 V HN 0.446 nan 8.190 nan 0.000 0.431 139 N N 4.012 122.742 118.700 0.050 0.000 3.204 139 N HA 0.238 4.872 4.740 -0.177 0.000 0.285 139 N C 0.309 175.807 175.510 -0.019 0.000 1.536 139 N CA -0.735 52.344 53.050 0.049 0.000 0.832 139 N CB 1.805 40.395 38.487 0.171 0.000 1.645 139 N HN 0.382 nan 8.380 nan 0.000 0.586 140 Q N 0.208 119.981 119.800 -0.044 0.000 2.398 140 Q HA 0.119 4.352 4.340 -0.177 0.000 0.204 140 Q C 0.946 176.865 176.000 -0.134 0.000 0.932 140 Q CA 0.845 56.604 55.803 -0.072 0.000 0.916 140 Q CB 0.137 28.837 28.738 -0.063 0.000 1.024 140 Q HN 0.832 nan 8.270 nan 0.000 0.504 141 I N 0.287 120.784 120.570 -0.122 0.000 3.718 141 I HA 0.077 4.140 4.170 -0.177 0.000 0.297 141 I C 0.223 176.351 176.117 0.019 0.000 1.220 141 I CA 0.399 61.625 61.300 -0.124 0.000 1.381 141 I CB 0.505 38.318 38.000 -0.312 0.000 1.238 141 I HN 0.242 nan 8.210 nan 0.000 0.448 142 N N 0.235 119.030 118.700 0.159 0.000 3.574 142 N HA 0.505 5.139 4.740 -0.177 0.000 0.340 142 N C -0.146 175.453 175.510 0.148 0.000 1.650 142 N CA 0.417 53.610 53.050 0.238 0.000 0.762 142 N CB 0.609 39.422 38.487 0.542 0.000 2.206 142 N HN 0.218 nan 8.380 nan 0.000 0.621 143 G N -1.331 107.572 108.800 0.171 0.000 2.661 143 G HA2 -0.077 3.777 3.960 -0.177 0.000 0.685 143 G HA3 -0.077 3.777 3.960 -0.177 0.000 0.685 143 G C -2.309 172.461 174.900 -0.216 0.000 1.298 143 G CA -0.188 44.837 45.100 -0.126 0.000 0.855 143 G HN 0.545 nan 8.290 nan 0.000 0.560 144 P HA -0.056 nan 4.420 nan 0.000 0.215 144 P C 2.178 179.377 177.300 -0.169 0.000 1.153 144 P CA 1.397 64.308 63.100 -0.315 0.000 0.853 144 P CB 0.022 31.358 31.700 -0.607 0.000 0.788 145 L N -1.723 119.376 121.223 -0.206 0.000 2.376 145 L HA -0.049 4.184 4.340 -0.177 0.000 0.219 145 L C 2.456 179.397 176.870 0.119 0.000 1.133 145 L CA 0.881 55.673 54.840 -0.079 0.000 0.816 145 L CB -0.526 41.391 42.059 -0.237 0.000 0.933 145 L HN -0.088 nan 8.230 nan 0.000 0.449 146 I N -1.085 119.459 120.570 -0.043 0.000 2.729 146 I HA -0.087 3.977 4.170 -0.177 0.000 0.256 146 I C 1.693 177.845 176.117 0.059 0.000 1.115 146 I CA 0.553 61.806 61.300 -0.078 0.000 1.446 146 I CB -0.048 37.754 38.000 -0.330 0.000 1.176 146 I HN 0.079 nan 8.210 nan 0.000 0.446 147 D N 1.088 121.519 120.400 0.052 0.000 2.194 147 D HA -0.007 4.527 4.640 -0.177 0.000 0.204 147 D C 2.250 178.630 176.300 0.134 0.000 0.964 147 D CA 1.090 55.145 54.000 0.090 0.000 0.846 147 D CB 0.027 40.885 40.800 0.097 0.000 0.962 147 D HN 0.258 nan 8.370 nan 0.000 0.490 148 I N 1.256 121.914 120.570 0.147 0.000 2.179 148 I HA -0.182 3.881 4.170 -0.177 0.000 0.242 148 I C -0.684 175.651 176.117 0.363 0.000 1.088 148 I CA 1.078 62.504 61.300 0.211 0.000 1.357 148 I CB -1.118 36.962 38.000 0.133 0.000 1.051 148 I HN -0.001 nan 8.210 nan 0.000 0.409 149 P HA -0.110 nan 4.420 nan 0.000 0.218 149 P C 1.474 178.928 177.300 0.256 0.000 1.149 149 P CA 1.308 64.690 63.100 0.470 0.000 0.817 149 P CB -0.125 31.785 31.700 0.351 0.000 0.785 150 R N -0.457 120.156 120.500 0.189 0.000 2.073 150 R HA -0.074 4.160 4.340 -0.177 0.000 0.234 150 R C 2.102 178.484 176.300 0.137 0.000 1.134 150 R CA 1.344 57.513 56.100 0.116 0.000 0.952 150 R CB -1.376 28.964 30.300 0.067 0.000 0.850 150 R HN 0.115 nan 8.270 nan 0.000 0.433 151 V N 1.476 121.484 119.914 0.157 0.000 2.287 151 V HA -0.284 3.729 4.120 -0.177 0.000 0.248 151 V C 2.421 178.647 176.094 0.220 0.000 1.053 151 V CA 1.840 64.233 62.300 0.155 0.000 1.027 151 V CB -0.409 31.498 31.823 0.139 0.000 0.646 151 V HN 0.330 nan 8.190 nan 0.000 0.447 152 M N -0.896 118.888 119.600 0.306 0.000 2.159 152 M HA -0.232 4.141 4.480 -0.177 0.000 0.263 152 M C 2.289 178.881 176.300 0.486 0.000 1.063 152 M CA 1.814 57.359 55.300 0.409 0.000 1.110 152 M CB -0.378 32.511 32.600 0.482 0.000 1.374 152 M HN 0.364 nan 8.290 nan 0.000 0.411 153 Q N -0.458 119.572 119.800 0.383 0.000 2.311 153 Q HA -0.033 4.201 4.340 -0.177 0.000 0.203 153 Q C 1.354 177.471 176.000 0.195 0.000 0.954 153 Q CA 0.737 56.724 55.803 0.305 0.000 0.885 153 Q CB 0.222 29.061 28.738 0.168 0.000 0.963 153 Q HN 0.519 nan 8.270 nan 0.000 0.471 154 N N -0.454 118.346 118.700 0.165 0.000 2.564 154 N HA -0.008 4.626 4.740 -0.177 0.000 0.202 154 N C 0.646 176.234 175.510 0.130 0.000 1.052 154 N CA 0.729 53.855 53.050 0.127 0.000 0.872 154 N CB 0.496 39.035 38.487 0.087 0.000 1.303 154 N HN 0.127 nan 8.380 nan 0.000 0.440 155 D N 0.526 121.006 120.400 0.134 0.000 2.380 155 D HA -0.018 4.515 4.640 -0.177 0.000 0.212 155 D C 0.587 176.961 176.300 0.124 0.000 1.021 155 D CA 0.203 54.272 54.000 0.115 0.000 0.884 155 D CB 0.728 41.584 40.800 0.092 0.000 1.001 155 D HN 0.216 nan 8.370 nan 0.000 0.506 156 Q N 2.320 122.220 119.800 0.167 0.000 2.296 156 Q HA 0.179 4.413 4.340 -0.177 0.000 0.262 156 Q C -2.448 173.637 176.000 0.142 0.000 0.981 156 Q CA -1.473 54.439 55.803 0.181 0.000 0.905 156 Q CB 1.332 30.237 28.738 0.279 0.000 1.186 156 Q HN -0.073 nan 8.270 nan 0.000 0.399 157 P HA 0.250 nan 4.420 nan 0.000 0.288 157 P C -0.938 176.386 177.300 0.040 0.000 1.267 157 P CA -0.147 62.989 63.100 0.059 0.000 0.815 157 P CB 0.892 32.623 31.700 0.052 0.000 0.989 158 I N 2.661 123.218 120.570 -0.022 0.000 2.668 158 I HA 0.151 4.215 4.170 -0.177 0.000 0.276 158 I C 1.279 177.344 176.117 -0.086 0.000 1.139 158 I CA -0.080 61.175 61.300 -0.075 0.000 1.133 158 I CB 1.042 38.913 38.000 -0.215 0.000 1.327 158 I HN 0.394 nan 8.210 nan 0.000 0.520 159 T N -1.440 113.090 114.554 -0.039 0.000 3.019 159 T HA 0.131 4.374 4.350 -0.177 0.000 0.247 159 T C 0.891 175.575 174.700 -0.027 0.000 0.992 159 T CA 0.538 62.615 62.100 -0.038 0.000 1.036 159 T CB 0.361 69.219 68.868 -0.017 0.000 1.063 159 T HN 0.421 nan 8.240 nan 0.000 0.476 160 T N -0.950 113.600 114.554 -0.007 0.000 2.937 160 T HA 0.498 4.742 4.350 -0.177 0.000 0.283 160 T C 0.965 175.675 174.700 0.017 0.000 1.012 160 T CA -0.477 61.625 62.100 0.004 0.000 0.997 160 T CB 2.154 71.031 68.868 0.015 0.000 1.136 160 T HN 0.203 nan 8.240 nan 0.000 0.551 161 E N 0.200 120.415 120.200 0.025 0.000 2.047 161 E HA -0.162 4.082 4.350 -0.177 0.000 0.191 161 E C 1.960 178.596 176.600 0.060 0.000 0.987 161 E CA 1.101 57.526 56.400 0.043 0.000 0.799 161 E CB -0.124 29.598 29.700 0.037 0.000 0.752 161 E HN 0.670 nan 8.360 nan 0.000 0.449 162 K N 1.120 121.550 120.400 0.050 0.000 2.089 162 K HA -0.226 3.988 4.320 -0.177 0.000 0.210 162 K C 1.774 178.418 176.600 0.074 0.000 1.048 162 K CA 2.108 58.428 56.287 0.056 0.000 0.926 162 K CB -0.062 32.463 32.500 0.043 0.000 0.714 162 K HN 0.207 nan 8.250 nan 0.000 0.448 163 E N -0.885 119.358 120.200 0.071 0.000 2.152 163 E HA -0.081 4.163 4.350 -0.177 0.000 0.192 163 E C 1.902 178.584 176.600 0.137 0.000 0.983 163 E CA 0.786 57.240 56.400 0.091 0.000 0.818 163 E CB -0.092 29.646 29.700 0.062 0.000 0.758 163 E HN 0.473 nan 8.360 nan 0.000 0.467 164 A N 0.917 123.818 122.820 0.135 0.000 1.969 164 A HA -0.096 4.118 4.320 -0.177 0.000 0.218 164 A C 2.081 179.814 177.584 0.248 0.000 1.169 164 A CA 0.833 53.015 52.037 0.242 0.000 0.635 164 A CB -0.330 18.819 19.000 0.248 0.000 0.810 164 A HN 0.129 nan 8.150 nan 0.000 0.445 165 L N -0.831 120.489 121.223 0.162 0.000 2.209 165 L HA -0.078 4.155 4.340 -0.177 0.000 0.207 165 L C 1.719 178.664 176.870 0.124 0.000 1.094 165 L CA 0.737 55.650 54.840 0.121 0.000 0.790 165 L CB -0.451 41.658 42.059 0.083 0.000 0.932 165 L HN 0.243 nan 8.230 nan 0.000 0.447 166 D N -0.469 120.015 120.400 0.141 0.000 2.144 166 D HA -0.243 4.291 4.640 -0.177 0.000 0.199 166 D C 1.853 178.261 176.300 0.179 0.000 0.984 166 D CA 1.318 55.400 54.000 0.137 0.000 0.834 166 D CB -0.096 40.785 40.800 0.135 0.000 0.955 166 D HN 0.297 nan 8.370 nan 0.000 0.465 167 Y N 0.968 121.317 120.300 0.082 0.000 2.200 167 Y HA -0.095 4.349 4.550 -0.177 0.000 0.290 167 Y C 2.227 178.112 175.900 -0.026 0.000 1.137 167 Y CA 1.159 59.301 58.100 0.069 0.000 1.163 167 Y CB -0.176 38.379 38.460 0.158 0.000 0.988 167 Y HN -0.112 nan 8.280 nan 0.000 0.518 168 I N -1.285 119.355 120.570 0.118 0.000 2.315 168 I HA -0.268 3.796 4.170 -0.177 0.000 0.248 168 I C 2.123 178.206 176.117 -0.057 0.000 1.117 168 I CA 0.895 62.171 61.300 -0.041 0.000 1.404 168 I CB -0.306 37.680 38.000 -0.024 0.000 1.071 168 I HN 0.069 nan 8.210 nan 0.000 0.419 169 V N 0.619 120.537 119.914 0.005 0.000 2.358 169 V HA -0.237 3.777 4.120 -0.177 0.000 0.246 169 V C 2.532 178.641 176.094 0.025 0.000 1.047 169 V CA 1.688 64.000 62.300 0.021 0.000 1.035 169 V CB -0.680 31.170 31.823 0.045 0.000 0.658 169 V HN 0.348 nan 8.190 nan 0.000 0.452 170 R N -0.322 120.185 120.500 0.012 0.000 2.083 170 R HA -0.132 4.101 4.340 -0.177 0.000 0.237 170 R C 2.295 178.639 176.300 0.072 0.000 1.137 170 R CA 1.553 57.673 56.100 0.034 0.000 0.951 170 R CB -0.476 29.837 30.300 0.022 0.000 0.851 170 R HN 0.409 nan 8.270 nan 0.000 0.434 171 L N -0.570 120.549 121.223 -0.174 0.000 2.127 171 L HA -0.120 4.114 4.340 -0.177 0.000 0.211 171 L C 2.405 179.221 176.870 -0.091 0.000 1.089 171 L CA 1.314 55.925 54.840 -0.382 0.000 0.757 171 L CB -0.593 41.066 42.059 -0.668 0.000 0.899 171 L HN 0.399 nan 8.230 nan 0.000 0.434 172 G N -1.179 107.607 108.800 -0.023 0.000 2.598 172 G HA2 -0.164 3.690 3.960 -0.177 0.000 0.215 172 G HA3 -0.164 3.690 3.960 -0.177 0.000 0.215 172 G C 1.379 176.352 174.900 0.122 0.000 1.131 172 G CA 0.010 45.127 45.100 0.030 0.000 0.785 172 G HN 0.418 nan 8.290 nan 0.000 0.539 173 Q N -0.753 119.166 119.800 0.198 0.000 2.360 173 Q HA 0.212 4.446 4.340 -0.177 0.000 0.202 173 Q C 1.356 177.529 176.000 0.288 0.000 0.915 173 Q CA -0.415 55.534 55.803 0.244 0.000 0.943 173 Q CB 0.038 28.932 28.738 0.261 0.000 1.064 173 Q HN 0.423 nan 8.270 nan 0.000 0.511 174 F N 2.374 122.365 119.950 0.068 0.000 2.250 174 F HA -0.225 4.195 4.527 -0.178 0.000 0.301 174 F C 2.039 177.895 175.800 0.094 0.000 1.077 174 F CA 1.417 59.471 58.000 0.090 0.000 1.348 174 F CB -0.230 38.829 39.000 0.098 0.000 1.040 174 F HN 0.278 nan 8.300 nan 0.000 0.509 175 D N 0.260 120.796 120.400 0.227 0.000 2.097 175 D HA -0.243 4.291 4.640 -0.177 0.000 0.195 175 D C 2.005 178.357 176.300 0.088 0.000 0.989 175 D CA 1.452 55.530 54.000 0.131 0.000 0.827 175 D CB -0.806 40.052 40.800 0.096 0.000 0.966 175 D HN 0.289 nan 8.370 nan 0.000 0.456 176 K N -0.262 120.198 120.400 0.101 0.000 2.103 176 K HA -0.067 4.147 4.320 -0.177 0.000 0.204 176 K C 2.336 179.041 176.600 0.175 0.000 1.052 176 K CA 0.385 56.701 56.287 0.047 0.000 0.945 176 K CB -0.158 32.269 32.500 -0.122 0.000 0.722 176 K HN 0.101 nan 8.250 nan 0.000 0.443 177 L N 1.214 122.585 121.223 0.246 0.000 1.970 177 L HA -0.166 4.067 4.340 -0.177 0.000 0.212 177 L C 2.208 179.098 176.870 0.033 0.000 1.071 177 L CA 2.366 57.286 54.840 0.133 0.000 0.751 177 L CB -0.904 41.023 42.059 -0.220 0.000 0.889 177 L HN 0.190 nan 8.230 nan 0.000 0.432 178 A N -0.520 122.281 122.820 -0.031 0.000 1.902 178 A HA -0.095 4.119 4.320 -0.177 0.000 0.217 178 A C 2.443 180.014 177.584 -0.022 0.000 1.181 178 A CA 2.010 54.006 52.037 -0.069 0.000 0.623 178 A CB -1.264 17.700 19.000 -0.060 0.000 0.818 178 A HN 0.660 nan 8.150 nan 0.000 0.443 179 A N -0.312 122.514 122.820 0.010 0.000 1.898 179 A HA -0.084 4.130 4.320 -0.177 0.000 0.216 179 A C 2.450 180.043 177.584 0.015 0.000 1.181 179 A CA 2.474 54.514 52.037 0.005 0.000 0.620 179 A CB -1.337 17.659 19.000 -0.006 0.000 0.819 179 A HN 0.775 nan 8.150 nan 0.000 0.442 180 T N -1.689 112.894 114.554 0.047 0.000 2.857 180 T HA -0.029 4.215 4.350 -0.177 0.000 0.266 180 T C 1.835 176.590 174.700 0.093 0.000 1.048 180 T CA 1.341 63.489 62.100 0.080 0.000 1.139 180 T CB -0.538 68.417 68.868 0.145 0.000 0.874 180 T HN 0.326 nan 8.240 nan 0.000 0.455 181 I N 0.812 121.421 120.570 0.065 0.000 2.179 181 I HA -0.060 4.004 4.170 -0.177 0.000 0.242 181 I C 2.542 178.656 176.117 -0.006 0.000 1.088 181 I CA 1.358 62.656 61.300 -0.004 0.000 1.357 181 I CB -0.355 37.572 38.000 -0.123 0.000 1.051 181 I HN 0.205 nan 8.210 nan 0.000 0.409 182 I N 0.640 121.202 120.570 -0.013 0.000 2.208 182 I HA -0.297 3.767 4.170 -0.177 0.000 0.245 182 I C 2.423 178.550 176.117 0.016 0.000 1.097 182 I CA 1.519 62.817 61.300 -0.004 0.000 1.363 182 I CB -0.414 37.580 38.000 -0.010 0.000 1.051 182 I HN 0.245 nan 8.210 nan 0.000 0.413 183 E N 0.555 120.768 120.200 0.022 0.000 2.085 183 E HA -0.302 3.942 4.350 -0.177 0.000 0.194 183 E C 2.076 178.701 176.600 0.041 0.000 0.994 183 E CA 1.323 57.739 56.400 0.027 0.000 0.801 183 E CB -0.062 29.653 29.700 0.025 0.000 0.743 183 E HN 0.206 nan 8.360 nan 0.000 0.453 184 K N 1.211 121.645 120.400 0.056 0.000 2.057 184 K HA -0.161 4.053 4.320 -0.177 0.000 0.206 184 K C 2.058 178.705 176.600 0.078 0.000 1.050 184 K CA 1.380 57.710 56.287 0.073 0.000 0.935 184 K CB -0.112 32.449 32.500 0.102 0.000 0.715 184 K HN 0.029 nan 8.250 nan 0.000 0.439 185 Q N -0.537 119.305 119.800 0.070 0.000 2.124 185 Q HA -0.138 4.096 4.340 -0.177 0.000 0.202 185 Q C 1.418 177.470 176.000 0.085 0.000 0.977 185 Q CA 2.010 57.867 55.803 0.090 0.000 0.850 185 Q CB -0.064 28.708 28.738 0.056 0.000 0.901 185 Q HN 0.351 nan 8.270 nan 0.000 0.429 186 T N 0.560 115.149 114.554 0.058 0.000 2.777 186 T HA -0.097 4.147 4.350 -0.177 0.000 0.266 186 T C 1.775 176.509 174.700 0.057 0.000 1.040 186 T CA 1.210 63.339 62.100 0.050 0.000 1.141 186 T CB -0.343 68.544 68.868 0.032 0.000 0.868 186 T HN 0.464 nan 8.240 nan 0.000 0.444 187 A N 1.983 124.836 122.820 0.055 0.000 1.902 187 A HA -0.163 4.051 4.320 -0.177 0.000 0.217 187 A C 2.090 179.717 177.584 0.071 0.000 1.181 187 A CA 1.860 53.928 52.037 0.051 0.000 0.623 187 A CB -0.701 18.322 19.000 0.038 0.000 0.818 187 A HN 0.352 nan 8.150 nan 0.000 0.443 188 D N 0.149 120.610 120.400 0.101 0.000 2.097 188 D HA -0.063 4.470 4.640 -0.177 0.000 0.195 188 D C 2.222 178.648 176.300 0.210 0.000 0.989 188 D CA 1.686 55.785 54.000 0.165 0.000 0.827 188 D CB -0.541 40.402 40.800 0.239 0.000 0.966 188 D HN 0.418 nan 8.370 nan 0.000 0.456 189 A N 0.798 123.716 122.820 0.163 0.000 1.978 189 A HA -0.059 4.155 4.320 -0.177 0.000 0.220 189 A C 2.242 179.881 177.584 0.092 0.000 1.170 189 A CA 2.068 54.179 52.037 0.122 0.000 0.636 189 A CB -0.649 18.398 19.000 0.079 0.000 0.810 189 A HN 0.238 nan 8.150 nan 0.000 0.448 190 A N -0.056 122.810 122.820 0.078 0.000 2.067 190 A HA -0.092 4.122 4.320 -0.177 0.000 0.219 190 A C 1.864 179.485 177.584 0.062 0.000 1.158 190 A CA 1.346 53.416 52.037 0.056 0.000 0.661 190 A CB -0.416 18.609 19.000 0.042 0.000 0.801 190 A HN 0.792 nan 8.150 nan 0.000 0.452 191 Q N -1.065 118.788 119.800 0.089 0.000 2.201 191 Q HA 0.209 4.443 4.340 -0.177 0.000 0.236 191 Q C -0.400 175.690 176.000 0.149 0.000 0.857 191 Q CA -0.207 55.654 55.803 0.098 0.000 1.025 191 Q CB -0.148 28.637 28.738 0.078 0.000 1.124 191 Q HN 0.423 nan 8.270 nan 0.000 0.473 192 N N 0.099 118.877 118.700 0.130 0.000 2.741 192 N HA -0.182 4.452 4.740 -0.177 0.000 0.250 192 N C -1.542 174.061 175.510 0.155 0.000 1.115 192 N CA 1.051 54.165 53.050 0.106 0.000 0.724 192 N CB -1.226 37.303 38.487 0.069 0.000 1.090 192 N HN 0.640 nan 8.380 nan 0.000 0.558 193 W N 1.983 123.310 121.300 0.045 0.000 2.278 193 W HA 0.506 5.060 4.660 -0.178 0.000 0.317 193 W C -0.933 175.653 176.519 0.112 0.000 1.030 193 W CA -0.304 57.089 57.345 0.079 0.000 1.334 193 W CB 0.384 29.890 29.460 0.078 0.000 1.215 193 W HN 0.045 nan 8.180 nan 0.000 0.405 194 L N 4.448 125.640 121.223 -0.052 0.000 2.720 194 L HA 0.715 4.949 4.340 -0.177 0.000 0.261 194 L C -3.066 173.648 176.870 -0.259 0.000 1.046 194 L CA -3.107 51.735 54.840 0.004 0.000 0.886 194 L CB 0.321 42.375 42.059 -0.007 0.000 1.493 194 L HN 0.053 nan 8.230 nan 0.000 0.407 195 P HA 0.358 nan 4.420 nan 0.000 0.274 195 P C -0.377 176.582 177.300 -0.568 0.000 1.246 195 P CA -0.300 62.154 63.100 -1.077 0.000 0.795 195 P CB 0.523 31.605 31.700 -1.029 0.000 1.006 196 S N 0.341 115.722 115.700 -0.531 0.000 2.580 196 S HA 0.051 4.415 4.470 -0.177 0.000 0.266 196 S C 1.146 175.599 174.600 -0.245 0.000 1.354 196 S CA -0.116 57.897 58.200 -0.311 0.000 1.008 196 S CB 0.174 63.231 63.200 -0.238 0.000 0.898 196 S HN 0.307 nan 8.310 nan 0.000 0.555 197 K N 0.483 120.782 120.400 -0.167 0.000 2.063 197 K HA -0.100 4.114 4.320 -0.177 0.000 0.208 197 K C 2.042 178.574 176.600 -0.114 0.000 1.048 197 K CA 1.511 57.724 56.287 -0.123 0.000 0.928 197 K CB -0.712 31.736 32.500 -0.087 0.000 0.713 197 K HN 0.463 nan 8.250 nan 0.000 0.442 198 V N 1.356 121.203 119.914 -0.111 0.000 2.343 198 V HA -0.260 3.754 4.120 -0.177 0.000 0.247 198 V C 2.176 178.204 176.094 -0.110 0.000 1.051 198 V CA 2.147 64.391 62.300 -0.093 0.000 1.036 198 V CB -0.620 31.158 31.823 -0.076 0.000 0.654 198 V HN 0.431 nan 8.190 nan 0.000 0.451 199 T N 0.180 114.637 114.554 -0.162 0.000 2.708 199 T HA -0.172 4.072 4.350 -0.177 0.000 0.266 199 T C 1.885 176.494 174.700 -0.151 0.000 1.037 199 T CA 1.448 63.440 62.100 -0.180 0.000 1.146 199 T CB -0.354 68.327 68.868 -0.312 0.000 0.865 199 T HN 0.179 nan 8.240 nan 0.000 0.435 200 L N 1.295 122.416 121.223 -0.171 0.000 2.046 200 L HA -0.075 4.159 4.340 -0.177 0.000 0.208 200 L C 2.514 179.345 176.870 -0.065 0.000 1.077 200 L CA 1.685 56.455 54.840 -0.116 0.000 0.747 200 L CB -1.016 40.971 42.059 -0.121 0.000 0.896 200 L HN 0.320 nan 8.230 nan 0.000 0.432 201 Q N -1.367 118.395 119.800 -0.064 0.000 2.084 201 Q HA -0.141 4.092 4.340 -0.177 0.000 0.202 201 Q C 2.130 178.119 176.000 -0.019 0.000 0.978 201 Q CA 1.429 57.210 55.803 -0.037 0.000 0.844 201 Q CB -0.586 28.129 28.738 -0.039 0.000 0.898 201 Q HN 0.627 nan 8.270 nan 0.000 0.426 202 G N 0.798 109.580 108.800 -0.030 0.000 2.418 202 G HA2 -0.254 3.599 3.960 -0.177 0.000 0.217 202 G HA3 -0.254 3.599 3.960 -0.177 0.000 0.217 202 G C 1.512 176.432 174.900 0.032 0.000 1.158 202 G CA 0.858 45.953 45.100 -0.009 0.000 0.771 202 G HN 0.425 nan 8.290 nan 0.000 0.545 203 A N 0.996 123.827 122.820 0.018 0.000 1.908 203 A HA -0.025 4.189 4.320 -0.177 0.000 0.218 203 A C 2.382 180.034 177.584 0.114 0.000 1.181 203 A CA 1.447 53.525 52.037 0.067 0.000 0.627 203 A CB -0.326 18.686 19.000 0.020 0.000 0.818 203 A HN 0.330 nan 8.150 nan 0.000 0.445 204 I N -0.415 120.187 120.570 0.054 0.000 2.179 204 I HA -0.248 3.815 4.170 -0.177 0.000 0.242 204 I C 2.487 178.638 176.117 0.057 0.000 1.088 204 I CA 1.927 63.254 61.300 0.044 0.000 1.357 204 I CB -0.942 37.065 38.000 0.012 0.000 1.051 204 I HN 0.454 nan 8.210 nan 0.000 0.409 205 K N 0.627 121.060 120.400 0.056 0.000 2.059 205 K HA -0.288 3.925 4.320 -0.177 0.000 0.212 205 K C 2.421 179.073 176.600 0.087 0.000 1.050 205 K CA 2.064 58.384 56.287 0.056 0.000 0.927 205 K CB -0.439 32.088 32.500 0.046 0.000 0.714 205 K HN 0.253 nan 8.250 nan 0.000 0.447 206 Y N 1.183 121.501 120.300 0.032 0.000 2.145 206 Y HA -0.180 4.264 4.550 -0.177 0.000 0.286 206 Y C 1.710 177.688 175.900 0.129 0.000 1.145 206 Y CA 1.563 59.704 58.100 0.068 0.000 1.148 206 Y CB -0.187 38.309 38.460 0.059 0.000 0.981 206 Y HN 0.013 nan 8.280 nan 0.000 0.507 207 L N 0.111 121.341 121.223 0.013 0.000 2.056 207 L HA -0.203 4.031 4.340 -0.177 0.000 0.207 207 L C 2.495 179.351 176.870 -0.024 0.000 1.078 207 L CA 1.643 56.479 54.840 -0.006 0.000 0.749 207 L CB -0.572 41.550 42.059 0.106 0.000 0.901 207 L HN 0.096 nan 8.230 nan 0.000 0.433 208 K N 0.191 120.581 120.400 -0.017 0.000 2.009 208 K HA -0.162 4.052 4.320 -0.177 0.000 0.210 208 K C 2.154 178.716 176.600 -0.064 0.000 1.049 208 K CA 1.533 57.803 56.287 -0.029 0.000 0.929 208 K CB -0.700 31.791 32.500 -0.014 0.000 0.714 208 K HN 0.398 nan 8.250 nan 0.000 0.440 209 G N 0.654 109.407 108.800 -0.079 0.000 2.469 209 G HA2 -0.287 3.567 3.960 -0.177 0.000 0.220 209 G HA3 -0.287 3.567 3.960 -0.177 0.000 0.220 209 G C 1.351 176.161 174.900 -0.149 0.000 1.136 209 G CA 0.658 45.696 45.100 -0.102 0.000 0.759 209 G HN 0.252 nan 8.290 nan 0.000 0.562 210 F N 2.194 121.911 119.950 -0.388 0.000 2.216 210 F HA -0.047 4.373 4.527 -0.178 0.000 0.300 210 F C 2.678 178.295 175.800 -0.305 0.000 1.085 210 F CA 2.001 59.758 58.000 -0.405 0.000 1.326 210 F CB 0.109 38.736 39.000 -0.622 0.000 1.027 210 F HN 0.201 nan 8.300 nan 0.000 0.497 211 T N -3.331 111.070 114.554 -0.255 0.000 3.134 211 T HA 0.114 4.358 4.350 -0.177 0.000 0.260 211 T C 1.705 176.271 174.700 -0.225 0.000 1.027 211 T CA 0.340 62.065 62.100 -0.624 0.000 0.913 211 T CB -0.521 67.819 68.868 -0.881 0.000 1.046 211 T HN 0.236 nan 8.240 nan 0.000 0.553 212 S N 0.594 116.227 115.700 -0.110 0.000 2.453 212 S HA 0.258 4.622 4.470 -0.177 0.000 0.231 212 S C 1.294 175.905 174.600 0.018 0.000 1.005 212 S CA 0.120 58.297 58.200 -0.040 0.000 0.949 212 S CB -0.556 62.615 63.200 -0.049 0.000 0.774 212 S HN 0.717 nan 8.310 nan 0.000 0.510 213 G N 1.442 110.270 108.800 0.047 0.000 2.488 213 G HA2 0.501 4.355 3.960 -0.177 0.000 0.318 213 G HA3 0.501 4.355 3.960 -0.177 0.000 0.318 213 G C -0.276 174.735 174.900 0.184 0.000 1.188 213 G CA -0.312 44.836 45.100 0.079 0.000 0.944 213 G HN 0.511 nan 8.290 nan 0.000 0.495 214 S N -0.541 115.214 115.700 0.093 0.000 2.568 214 S HA 0.345 4.709 4.470 -0.177 0.000 0.282 214 S C 1.613 176.196 174.600 -0.029 0.000 1.338 214 S CA 0.286 58.511 58.200 0.041 0.000 1.045 214 S CB 1.406 64.604 63.200 -0.003 0.000 0.873 214 S HN 1.304 nan 8.310 nan 0.000 0.516 215 A N 2.206 124.850 122.820 -0.293 0.000 1.933 215 A HA -0.054 4.160 4.320 -0.177 0.000 0.218 215 A C 1.994 179.461 177.584 -0.195 0.000 1.175 215 A CA 1.646 53.360 52.037 -0.538 0.000 0.628 215 A CB -1.075 17.418 19.000 -0.844 0.000 0.814 215 A HN 0.915 nan 8.150 nan 0.000 0.444 216 E N 0.056 120.179 120.200 -0.128 0.000 2.130 216 E HA -0.172 4.072 4.350 -0.177 0.000 0.196 216 E C 1.328 177.923 176.600 -0.009 0.000 0.998 216 E CA 1.410 57.776 56.400 -0.055 0.000 0.806 216 E CB -0.038 29.636 29.700 -0.044 0.000 0.738 216 E HN 0.558 nan 8.360 nan 0.000 0.459 217 Q N -0.216 119.583 119.800 -0.001 0.000 2.189 217 Q HA 0.099 4.333 4.340 -0.177 0.000 0.221 217 Q C -0.576 175.427 176.000 0.004 0.000 0.848 217 Q CA -0.043 55.763 55.803 0.005 0.000 1.007 217 Q CB 0.203 28.935 28.738 -0.011 0.000 1.116 217 Q HN 0.372 nan 8.270 nan 0.000 0.481 218 H N 0.872 119.913 119.070 -0.048 0.000 2.629 218 H HA 0.084 4.534 4.556 -0.177 0.000 0.357 218 H C -1.449 173.848 175.328 -0.053 0.000 1.121 218 H CA -1.322 54.684 56.048 -0.070 0.000 1.406 218 H CB 1.321 31.064 29.762 -0.032 0.000 1.456 218 H HN -0.137 nan 8.280 nan 0.000 0.579 219 P HA -0.232 nan 4.420 nan 0.000 0.217 219 P C 1.003 178.352 177.300 0.082 0.000 1.151 219 P CA 1.370 64.334 63.100 -0.226 0.000 0.849 219 P CB 0.005 31.441 31.700 -0.440 0.000 0.787 220 F N -1.087 119.023 119.950 0.267 0.000 2.202 220 F HA -0.159 4.262 4.527 -0.177 0.000 0.301 220 F C 2.286 178.265 175.800 0.297 0.000 1.082 220 F CA 1.058 59.243 58.000 0.309 0.000 1.313 220 F CB -1.310 37.797 39.000 0.178 0.000 1.024 220 F HN -0.214 nan 8.300 nan 0.000 0.495 221 V N -0.351 119.793 119.914 0.384 0.000 2.300 221 V HA -0.202 3.812 4.120 -0.177 0.000 0.241 221 V C 2.159 178.387 176.094 0.224 0.000 1.034 221 V CA 1.640 64.092 62.300 0.254 0.000 1.021 221 V CB -0.686 31.223 31.823 0.142 0.000 0.662 221 V HN 0.213 nan 8.190 nan 0.000 0.458 222 N N 0.646 119.427 118.700 0.135 0.000 2.104 222 N HA -0.139 4.494 4.740 -0.177 0.000 0.190 222 N C 1.785 177.347 175.510 0.087 0.000 1.024 222 N CA 1.416 54.512 53.050 0.076 0.000 0.853 222 N CB -0.626 37.868 38.487 0.011 0.000 1.008 222 N HN 0.327 nan 8.380 nan 0.000 0.424 223 V N 0.709 120.691 119.914 0.114 0.000 2.407 223 V HA -0.191 3.823 4.120 -0.177 0.000 0.248 223 V C 1.922 178.084 176.094 0.113 0.000 1.055 223 V CA 1.220 63.588 62.300 0.112 0.000 1.049 223 V CB -0.597 31.315 31.823 0.149 0.000 0.662 223 V HN 0.202 nan 8.190 nan 0.000 0.455 224 F N 0.581 120.548 119.950 0.028 0.000 2.367 224 F HA -0.015 4.406 4.527 -0.177 0.000 0.298 224 F C 2.459 178.227 175.800 -0.053 0.000 1.094 224 F CA 1.168 59.118 58.000 -0.085 0.000 1.409 224 F CB -0.126 38.842 39.000 -0.053 0.000 1.064 224 F HN -0.058 nan 8.300 nan 0.000 0.528 225 R N 0.314 120.887 120.500 0.123 0.000 2.061 225 R HA -0.183 4.051 4.340 -0.177 0.000 0.230 225 R C 2.310 178.564 176.300 -0.076 0.000 1.140 225 R CA 1.682 57.801 56.100 0.032 0.000 0.940 225 R CB -0.856 29.485 30.300 0.069 0.000 0.839 225 R HN 0.370 nan 8.270 nan 0.000 0.429 226 E N 1.301 121.475 120.200 -0.043 0.000 2.097 226 E HA -0.241 4.002 4.350 -0.177 0.000 0.196 226 E C 1.592 178.132 176.600 -0.100 0.000 1.000 226 E CA 1.556 57.924 56.400 -0.053 0.000 0.804 226 E CB 0.144 29.831 29.700 -0.023 0.000 0.740 226 E HN 0.259 nan 8.360 nan 0.000 0.454 227 K N -0.218 120.085 120.400 -0.162 0.000 2.137 227 K HA -0.052 4.161 4.320 -0.177 0.000 0.202 227 K C 2.185 178.608 176.600 -0.296 0.000 1.052 227 K CA 0.571 56.733 56.287 -0.209 0.000 0.961 227 K CB -0.049 32.312 32.500 -0.232 0.000 0.741 227 K HN 0.117 nan 8.250 nan 0.000 0.452 228 I N 1.999 122.289 120.570 -0.466 0.000 2.439 228 I HA -0.166 3.897 4.170 -0.177 0.000 0.251 228 I C 1.832 177.810 176.117 -0.233 0.000 1.139 228 I CA 1.410 62.423 61.300 -0.478 0.000 1.438 228 I CB -0.045 37.508 38.000 -0.745 0.000 1.085 228 I HN 0.025 nan 8.210 nan 0.000 0.427 229 E N 0.882 120.980 120.200 -0.170 0.000 2.160 229 E HA -0.226 4.018 4.350 -0.177 0.000 0.195 229 E C 1.874 178.427 176.600 -0.079 0.000 0.991 229 E CA 1.326 57.669 56.400 -0.094 0.000 0.810 229 E CB -0.146 29.513 29.700 -0.068 0.000 0.742 229 E HN 0.439 nan 8.360 nan 0.000 0.466 230 K N -0.553 119.792 120.400 -0.092 0.000 2.487 230 K HA 0.085 4.299 4.320 -0.177 0.000 0.192 230 K C -0.135 176.424 176.600 -0.068 0.000 1.027 230 K CA -0.089 56.156 56.287 -0.070 0.000 1.054 230 K CB 0.621 33.081 32.500 -0.067 0.000 0.824 230 K HN -0.050 nan 8.250 nan 0.000 0.510 231 V N 1.357 121.221 119.914 -0.083 0.000 2.785 231 V HA 0.034 4.047 4.120 -0.177 0.000 0.300 231 V C 0.467 176.533 176.094 -0.046 0.000 1.062 231 V CA 0.019 62.278 62.300 -0.070 0.000 1.029 231 V CB 1.573 33.343 31.823 -0.090 0.000 1.024 231 V HN 0.085 nan 8.190 nan 0.000 0.477 232 D N 0.234 120.614 120.400 -0.033 0.000 2.448 232 D HA 0.015 4.549 4.640 -0.177 0.000 0.256 232 D C 1.794 178.085 176.300 -0.015 0.000 1.108 232 D CA 0.798 54.785 54.000 -0.022 0.000 0.848 232 D CB 0.403 41.192 40.800 -0.019 0.000 1.281 232 D HN 0.630 nan 8.370 nan 0.000 0.509 233 S N 0.248 115.940 115.700 -0.013 0.000 2.786 233 S HA 0.203 4.567 4.470 -0.177 0.000 0.223 233 S C 0.536 175.133 174.600 -0.004 0.000 0.956 233 S CA -0.054 58.142 58.200 -0.007 0.000 0.961 233 S CB -0.508 62.690 63.200 -0.004 0.000 0.784 233 S HN 0.102 nan 8.310 nan 0.000 0.519 234 L N 0.855 122.074 121.223 -0.007 0.000 2.482 234 L HA 0.487 4.721 4.340 -0.177 0.000 0.263 234 L C 0.235 177.103 176.870 -0.004 0.000 0.957 234 L CA -0.937 53.902 54.840 -0.002 0.000 0.836 234 L CB 2.047 44.106 42.059 -0.000 0.000 1.324 234 L HN 0.132 nan 8.230 nan 0.000 0.406 235 T N -2.656 111.900 114.554 0.002 0.000 2.726 235 T HA 0.108 4.352 4.350 -0.177 0.000 0.294 235 T C 1.033 175.735 174.700 0.004 0.000 1.013 235 T CA 0.161 62.263 62.100 0.002 0.000 0.996 235 T CB 1.016 69.887 68.868 0.005 0.000 1.016 235 T HN 0.620 nan 8.240 nan 0.000 0.529 236 T N -0.001 114.555 114.554 0.003 0.000 2.777 236 T HA -0.087 4.156 4.350 -0.177 0.000 0.266 236 T C 1.777 176.485 174.700 0.013 0.000 1.040 236 T CA 1.584 63.687 62.100 0.005 0.000 1.141 236 T CB -0.524 68.346 68.868 0.003 0.000 0.868 236 T HN 0.836 nan 8.240 nan 0.000 0.444 237 E N 0.805 121.012 120.200 0.012 0.000 2.114 237 E HA -0.266 3.977 4.350 -0.177 0.000 0.199 237 E C 2.151 178.765 176.600 0.024 0.000 1.008 237 E CA 1.465 57.874 56.400 0.016 0.000 0.810 237 E CB -0.025 29.683 29.700 0.012 0.000 0.739 237 E HN 0.588 nan 8.360 nan 0.000 0.456 238 Q N -0.274 119.541 119.800 0.025 0.000 2.163 238 Q HA -0.061 4.172 4.340 -0.177 0.000 0.198 238 Q C 2.166 178.199 176.000 0.057 0.000 0.954 238 Q CA 0.714 56.539 55.803 0.037 0.000 0.851 238 Q CB 0.087 28.844 28.738 0.031 0.000 0.928 238 Q HN 0.140 nan 8.270 nan 0.000 0.459 239 K N 0.642 121.066 120.400 0.041 0.000 2.034 239 K HA -0.274 3.940 4.320 -0.177 0.000 0.214 239 K C 2.147 178.803 176.600 0.094 0.000 1.051 239 K CA 1.706 58.025 56.287 0.053 0.000 0.931 239 K CB -0.066 32.441 32.500 0.012 0.000 0.715 239 K HN -0.006 nan 8.250 nan 0.000 0.446 240 Q N 0.381 120.217 119.800 0.061 0.000 2.172 240 Q HA -0.074 4.160 4.340 -0.177 0.000 0.200 240 Q C 2.090 178.122 176.000 0.054 0.000 0.964 240 Q CA 1.438 57.274 55.803 0.056 0.000 0.855 240 Q CB -0.183 28.574 28.738 0.032 0.000 0.918 240 Q HN 0.217 nan 8.270 nan 0.000 0.444 241 S N -0.843 114.888 115.700 0.051 0.000 2.343 241 S HA -0.107 4.257 4.470 -0.177 0.000 0.219 241 S C 1.784 176.412 174.600 0.047 0.000 1.033 241 S CA 1.256 59.480 58.200 0.040 0.000 1.014 241 S CB -0.312 62.911 63.200 0.038 0.000 0.915 241 S HN 0.453 nan 8.310 nan 0.000 0.435 242 L N 1.048 122.329 121.223 0.096 0.000 2.046 242 L HA -0.060 4.173 4.340 -0.177 0.000 0.208 242 L C 2.432 179.320 176.870 0.032 0.000 1.077 242 L CA 1.137 56.042 54.840 0.109 0.000 0.747 242 L CB -0.549 41.692 42.059 0.303 0.000 0.896 242 L HN 0.373 nan 8.230 nan 0.000 0.432 243 I N -0.371 120.297 120.570 0.165 0.000 2.113 243 I HA -0.373 3.691 4.170 -0.177 0.000 0.242 243 I C 2.533 178.637 176.117 -0.023 0.000 1.064 243 I CA 2.016 63.382 61.300 0.110 0.000 1.320 243 I CB -0.766 37.329 38.000 0.159 0.000 1.028 243 I HN 0.344 nan 8.210 nan 0.000 0.406 244 T N 0.104 114.654 114.554 -0.007 0.000 2.635 244 T HA -0.299 3.945 4.350 -0.177 0.000 0.267 244 T C 1.819 176.480 174.700 -0.066 0.000 1.040 244 T CA 1.634 63.715 62.100 -0.032 0.000 1.156 244 T CB -0.509 68.350 68.868 -0.016 0.000 0.863 244 T HN 0.429 nan 8.240 nan 0.000 0.430 245 Q N 0.178 119.935 119.800 -0.072 0.000 2.061 245 Q HA -0.090 4.144 4.340 -0.177 0.000 0.204 245 Q C 2.631 178.538 176.000 -0.155 0.000 0.984 245 Q CA 1.312 57.058 55.803 -0.095 0.000 0.846 245 Q CB -0.521 28.171 28.738 -0.076 0.000 0.902 245 Q HN 0.342 nan 8.270 nan 0.000 0.421 246 V N 0.930 120.698 119.914 -0.244 0.000 2.343 246 V HA -0.262 3.752 4.120 -0.177 0.000 0.247 246 V C 2.105 178.078 176.094 -0.202 0.000 1.051 246 V CA 1.597 63.714 62.300 -0.304 0.000 1.036 246 V CB -0.412 31.084 31.823 -0.545 0.000 0.654 246 V HN 0.367 nan 8.190 nan 0.000 0.451 247 I N 0.197 120.678 120.570 -0.149 0.000 2.361 247 I HA -0.249 3.814 4.170 -0.177 0.000 0.251 247 I C 2.588 178.621 176.117 -0.140 0.000 1.133 247 I CA 1.346 62.572 61.300 -0.123 0.000 1.413 247 I CB -0.499 37.450 38.000 -0.084 0.000 1.073 247 I HN 0.304 nan 8.210 nan 0.000 0.424 248 A N 0.707 123.454 122.820 -0.121 0.000 1.877 248 A HA -0.183 4.031 4.320 -0.177 0.000 0.216 248 A C 2.308 179.820 177.584 -0.120 0.000 1.186 248 A CA 1.409 53.384 52.037 -0.104 0.000 0.620 248 A CB -0.307 18.646 19.000 -0.079 0.000 0.822 248 A HN 0.174 nan 8.150 nan 0.000 0.443 249 K N -0.138 120.174 120.400 -0.147 0.000 2.057 249 K HA -0.047 4.167 4.320 -0.177 0.000 0.206 249 K C 2.037 178.520 176.600 -0.195 0.000 1.050 249 K CA 1.310 57.498 56.287 -0.165 0.000 0.935 249 K CB -1.010 31.362 32.500 -0.213 0.000 0.715 249 K HN 0.358 nan 8.250 nan 0.000 0.439 250 V N 1.853 121.626 119.914 -0.235 0.000 2.261 250 V HA -0.239 3.775 4.120 -0.177 0.000 0.246 250 V C 2.632 178.574 176.094 -0.252 0.000 1.047 250 V CA 2.336 64.487 62.300 -0.249 0.000 1.015 250 V CB -0.751 30.928 31.823 -0.239 0.000 0.642 250 V HN 0.449 nan 8.190 nan 0.000 0.446 251 S N -0.977 114.554 115.700 -0.281 0.000 2.414 251 S HA -0.198 4.166 4.470 -0.177 0.000 0.227 251 S C 1.924 176.469 174.600 -0.091 0.000 1.022 251 S CA 1.336 59.364 58.200 -0.286 0.000 0.958 251 S CB -0.192 62.843 63.200 -0.274 0.000 0.797 251 S HN 0.507 nan 8.310 nan 0.000 0.493 252 Q N 0.497 120.256 119.800 -0.068 0.000 2.049 252 Q HA 0.133 4.366 4.340 -0.177 0.000 0.198 252 Q C 1.949 177.963 176.000 0.023 0.000 0.971 252 Q CA 1.862 57.654 55.803 -0.019 0.000 0.833 252 Q CB 0.029 28.750 28.738 -0.029 0.000 0.896 252 Q HN 0.541 nan 8.270 nan 0.000 0.434 253 V N -2.117 117.808 119.914 0.018 0.000 2.840 253 V HA 0.006 4.020 4.120 -0.177 0.000 0.234 253 V C 1.872 178.050 176.094 0.140 0.000 1.159 253 V CA 0.577 62.917 62.300 0.067 0.000 1.194 253 V CB -0.265 31.583 31.823 0.042 0.000 0.971 253 V HN 0.041 nan 8.190 nan 0.000 0.494 254 V N -0.406 119.554 119.914 0.078 0.000 2.261 254 V HA -0.270 3.744 4.120 -0.177 0.000 0.246 254 V C 2.341 178.667 176.094 0.387 0.000 1.047 254 V CA 2.314 64.717 62.300 0.173 0.000 1.015 254 V CB -0.774 30.980 31.823 -0.115 0.000 0.642 254 V HN 0.493 nan 8.190 nan 0.000 0.446 255 Y N 0.335 120.675 120.300 0.067 0.000 2.097 255 Y HA -0.093 4.351 4.550 -0.177 0.000 0.282 255 Y C 0.268 176.254 175.900 0.144 0.000 1.152 255 Y CA 1.329 59.488 58.100 0.098 0.000 1.136 255 Y CB -2.166 36.307 38.460 0.022 0.000 0.975 255 Y HN 0.340 nan 8.280 nan 0.000 0.498 256 P HA -0.151 nan 4.420 nan 0.000 0.217 256 P C 1.454 178.846 177.300 0.154 0.000 1.150 256 P CA 2.254 65.451 63.100 0.163 0.000 0.832 256 P CB -0.175 31.598 31.700 0.123 0.000 0.787 257 A N -1.259 121.683 122.820 0.202 0.000 1.865 257 A HA -0.241 3.972 4.320 -0.177 0.000 0.217 257 A C 2.101 179.748 177.584 0.105 0.000 1.191 257 A CA 1.648 53.786 52.037 0.168 0.000 0.623 257 A CB -1.967 17.196 19.000 0.271 0.000 0.826 257 A HN 0.125 nan 8.150 nan 0.000 0.444 258 Y N 0.004 120.346 120.300 0.069 0.000 2.293 258 Y HA -0.166 4.277 4.550 -0.177 0.000 0.291 258 Y C 2.730 178.618 175.900 -0.020 0.000 1.137 258 Y CA 1.763 59.859 58.100 -0.007 0.000 1.202 258 Y CB -0.372 38.060 38.460 -0.045 0.000 0.990 258 Y HN 0.438 nan 8.280 nan 0.000 0.537 259 Q N -0.919 118.958 119.800 0.128 0.000 2.167 259 Q HA -0.154 4.080 4.340 -0.177 0.000 0.202 259 Q C 2.376 178.398 176.000 0.038 0.000 0.970 259 Q CA 1.678 57.520 55.803 0.064 0.000 0.855 259 Q CB -0.164 28.610 28.738 0.061 0.000 0.911 259 Q HN 0.333 nan 8.270 nan 0.000 0.438 260 S N 0.050 115.771 115.700 0.035 0.000 2.368 260 S HA -0.123 4.240 4.470 -0.177 0.000 0.225 260 S C 2.072 176.664 174.600 -0.013 0.000 1.030 260 S CA 1.267 59.474 58.200 0.012 0.000 0.999 260 S CB -0.186 63.021 63.200 0.011 0.000 0.844 260 S HN 0.164 nan 8.310 nan 0.000 0.459 261 V N 1.848 121.735 119.914 -0.046 0.000 2.427 261 V HA -0.146 3.868 4.120 -0.177 0.000 0.248 261 V C 2.445 178.518 176.094 -0.035 0.000 1.051 261 V CA 1.688 63.946 62.300 -0.069 0.000 1.048 261 V CB -0.638 31.092 31.823 -0.156 0.000 0.666 261 V HN 0.522 nan 8.190 nan 0.000 0.456 262 E N 0.765 120.957 120.200 -0.013 0.000 2.058 262 E HA -0.312 3.932 4.350 -0.177 0.000 0.194 262 E C 2.317 178.918 176.600 0.001 0.000 0.997 262 E CA 1.843 58.246 56.400 0.005 0.000 0.801 262 E CB -0.097 29.615 29.700 0.019 0.000 0.746 262 E HN 0.589 nan 8.360 nan 0.000 0.450 263 K N -0.007 120.395 120.400 0.003 0.000 2.057 263 K HA -0.140 4.073 4.320 -0.177 0.000 0.207 263 K C 2.048 178.647 176.600 -0.002 0.000 1.049 263 K CA 1.235 57.523 56.287 0.002 0.000 0.931 263 K CB -0.198 32.306 32.500 0.007 0.000 0.714 263 K HN 0.161 nan 8.250 nan 0.000 0.440 264 A N 0.428 123.245 122.820 -0.005 0.000 1.902 264 A HA -0.115 4.099 4.320 -0.177 0.000 0.217 264 A C 2.150 179.729 177.584 -0.007 0.000 1.181 264 A CA 1.980 54.013 52.037 -0.005 0.000 0.623 264 A CB -0.568 18.428 19.000 -0.008 0.000 0.818 264 A HN 0.359 nan 8.150 nan 0.000 0.443 265 S N -0.360 115.333 115.700 -0.011 0.000 2.383 265 S HA -0.146 4.218 4.470 -0.177 0.000 0.227 265 S C 1.805 176.395 174.600 -0.017 0.000 1.026 265 S CA 1.410 59.601 58.200 -0.015 0.000 0.981 265 S CB -0.273 62.918 63.200 -0.014 0.000 0.818 265 S HN 0.701 nan 8.310 nan 0.000 0.472 266 E N 0.867 121.060 120.200 -0.012 0.000 2.118 266 E HA -0.151 4.093 4.350 -0.177 0.000 0.195 266 E C 2.218 178.810 176.600 -0.013 0.000 0.992 266 E CA 0.881 57.274 56.400 -0.012 0.000 0.804 266 E CB -0.055 29.642 29.700 -0.007 0.000 0.741 266 E HN 0.357 nan 8.360 nan 0.000 0.458 267 Q N 0.006 119.800 119.800 -0.009 0.000 2.226 267 Q HA -0.090 4.143 4.340 -0.177 0.000 0.204 267 Q C 2.085 178.078 176.000 -0.011 0.000 0.975 267 Q CA 0.873 56.671 55.803 -0.008 0.000 0.866 267 Q CB 0.001 28.738 28.738 -0.003 0.000 0.915 267 Q HN 0.391 nan 8.270 nan 0.000 0.440 268 L N -0.090 121.124 121.223 -0.015 0.000 2.509 268 L HA 0.007 4.241 4.340 -0.177 0.000 0.222 268 L C 2.059 178.908 176.870 -0.035 0.000 1.123 268 L CA -0.038 54.789 54.840 -0.021 0.000 0.856 268 L CB -0.187 41.860 42.059 -0.020 0.000 0.985 268 L HN 0.158 nan 8.230 nan 0.000 0.456 269 L N -0.203 120.999 121.223 -0.035 0.000 2.042 269 L HA -0.252 3.982 4.340 -0.177 0.000 0.210 269 L C 2.836 179.682 176.870 -0.041 0.000 1.076 269 L CA 1.825 56.639 54.840 -0.044 0.000 0.749 269 L CB -0.495 41.542 42.059 -0.036 0.000 0.893 269 L HN 0.428 nan 8.230 nan 0.000 0.432 270 S N -0.896 114.786 115.700 -0.029 0.000 2.399 270 S HA -0.201 4.163 4.470 -0.177 0.000 0.231 270 S C 1.649 176.231 174.600 -0.030 0.000 1.022 270 S CA 1.235 59.419 58.200 -0.026 0.000 0.983 270 S CB -0.309 62.881 63.200 -0.017 0.000 0.803 270 S HN 0.512 nan 8.310 nan 0.000 0.480 271 E N 1.593 121.775 120.200 -0.031 0.000 2.230 271 E HA 0.340 4.583 4.350 -0.177 0.000 0.192 271 E C 0.923 177.489 176.600 -0.056 0.000 0.987 271 E CA 0.303 56.683 56.400 -0.034 0.000 0.841 271 E CB -0.106 29.580 29.700 -0.023 0.000 0.783 271 E HN 0.669 nan 8.360 nan 0.000 0.481 272 A N 1.862 124.639 122.820 -0.072 0.000 2.498 272 A HA 0.087 4.301 4.320 -0.177 0.000 0.239 272 A C 0.067 177.584 177.584 -0.112 0.000 1.068 272 A CA 0.116 52.086 52.037 -0.111 0.000 0.766 272 A CB 0.200 19.125 19.000 -0.124 0.000 1.003 272 A HN 0.097 nan 8.150 nan 0.000 0.497 273 R N 1.707 122.118 120.500 -0.148 0.000 2.531 273 R HA 0.292 4.526 4.340 -0.177 0.000 0.273 273 R C 0.996 177.222 176.300 -0.123 0.000 1.070 273 R CA -0.120 55.898 56.100 -0.137 0.000 1.112 273 R CB 0.752 30.939 30.300 -0.189 0.000 1.049 273 R HN 0.770 nan 8.270 nan 0.000 0.508 274 S N 1.047 116.696 115.700 -0.085 0.000 2.428 274 S HA -0.069 4.295 4.470 -0.177 0.000 0.230 274 S C 0.047 174.613 174.600 -0.056 0.000 1.014 274 S CA 0.932 59.098 58.200 -0.058 0.000 0.957 274 S CB -0.010 63.176 63.200 -0.024 0.000 0.784 274 S HN 0.477 nan 8.310 nan 0.000 0.499 275 E N 1.318 121.467 120.200 -0.085 0.000 2.413 275 E HA 0.176 4.420 4.350 -0.177 0.000 0.263 275 E C 0.727 177.248 176.600 -0.131 0.000 1.015 275 E CA 0.062 56.414 56.400 -0.081 0.000 0.916 275 E CB 0.558 30.099 29.700 -0.265 0.000 0.947 275 E HN 0.047 nan 8.360 nan 0.000 0.440 276 S N 0.917 116.602 115.700 -0.025 0.000 2.475 276 S HA 0.160 4.524 4.470 -0.177 0.000 0.224 276 S C 0.865 175.427 174.600 -0.063 0.000 1.042 276 S CA 0.271 58.449 58.200 -0.036 0.000 0.935 276 S CB 0.471 63.688 63.200 0.029 0.000 0.801 276 S HN 0.575 nan 8.310 nan 0.000 0.509 277 G N 0.614 109.379 108.800 -0.058 0.000 2.488 277 G HA2 0.527 4.381 3.960 -0.177 0.000 0.318 277 G HA3 0.527 4.381 3.960 -0.177 0.000 0.318 277 G C 0.301 175.058 174.900 -0.238 0.000 1.188 277 G CA -0.587 44.488 45.100 -0.042 0.000 0.944 277 G HN 0.152 nan 8.290 nan 0.000 0.495 278 I N 0.493 121.173 120.570 0.183 0.000 3.111 278 I HA 0.051 4.115 4.170 -0.177 0.000 0.272 278 I C 2.282 178.313 176.117 -0.144 0.000 1.268 278 I CA -0.094 61.163 61.300 -0.072 0.000 1.467 278 I CB -0.220 37.739 38.000 -0.068 0.000 1.087 278 I HN 0.751 nan 8.210 nan 0.000 0.467 279 W N 0.582 121.895 121.300 0.022 0.000 2.364 279 W HA -0.133 4.420 4.660 -0.178 0.000 0.281 279 W C 1.759 178.287 176.519 0.015 0.000 1.219 279 W CA 0.862 58.223 57.345 0.027 0.000 1.220 279 W CB -1.331 28.130 29.460 0.001 0.000 1.127 279 W HN 0.277 nan 8.180 nan 0.000 0.556 280 A N 1.010 123.185 122.820 -1.075 0.000 2.167 280 A HA -0.042 4.171 4.320 -0.177 0.000 0.214 280 A C 1.501 178.822 177.584 -0.437 0.000 1.151 280 A CA 0.566 51.999 52.037 -1.006 0.000 0.735 280 A CB -0.429 17.738 19.000 -1.389 0.000 0.802 280 A HN 0.204 nan 8.150 nan 0.000 0.467 281 Q N 0.125 119.699 119.800 -0.375 0.000 2.382 281 Q HA 0.284 4.517 4.340 -0.177 0.000 0.229 281 Q C -2.550 173.449 176.000 -0.003 0.000 1.006 281 Q CA -2.299 53.320 55.803 -0.308 0.000 0.916 281 Q CB -0.331 27.966 28.738 -0.734 0.000 1.235 281 Q HN 0.128 nan 8.270 nan 0.000 0.512 282 P HA 0.019 nan 4.420 nan 0.000 0.266 282 P C -0.586 176.934 177.300 0.367 0.000 1.215 282 P CA 0.301 63.536 63.100 0.225 0.000 0.763 282 P CB 0.248 32.082 31.700 0.225 0.000 0.806 283 K N 1.777 122.353 120.400 0.293 0.000 3.160 283 K HA -0.192 4.022 4.320 -0.177 0.000 0.280 283 K C 1.371 178.278 176.600 0.512 0.000 1.154 283 K CA 0.639 57.145 56.287 0.365 0.000 0.822 283 K CB -2.099 30.584 32.500 0.306 0.000 1.239 283 K HN 0.717 nan 8.250 nan 0.000 0.489 284 G N 1.196 110.227 108.800 0.386 0.000 2.450 284 G HA2 -0.324 3.529 3.960 -0.177 0.000 0.220 284 G HA3 -0.324 3.529 3.960 -0.177 0.000 0.220 284 G C 1.389 176.510 174.900 0.367 0.000 1.130 284 G CA 1.212 46.512 45.100 0.334 0.000 0.760 284 G HN 0.538 nan 8.290 nan 0.000 0.557 285 S N 0.081 115.983 115.700 0.336 0.000 2.402 285 S HA -0.052 4.312 4.470 -0.177 0.000 0.229 285 S C 2.255 177.029 174.600 0.290 0.000 1.021 285 S CA 1.311 59.700 58.200 0.316 0.000 0.974 285 S CB -0.291 63.059 63.200 0.251 0.000 0.800 285 S HN 0.106 nan 8.310 nan 0.000 0.484 286 V N 0.709 120.805 119.914 0.303 0.000 2.379 286 V HA -0.092 3.922 4.120 -0.177 0.000 0.245 286 V C 2.219 178.396 176.094 0.138 0.000 1.044 286 V CA 1.829 64.286 62.300 0.261 0.000 1.036 286 V CB -1.129 30.913 31.823 0.365 0.000 0.664 286 V HN 0.600 nan 8.190 nan 0.000 0.453 287 Y N -0.056 120.225 120.300 -0.033 0.000 2.114 287 Y HA -0.365 4.079 4.550 -0.177 0.000 0.282 287 Y C 2.502 178.333 175.900 -0.114 0.000 1.165 287 Y CA 2.375 60.242 58.100 -0.388 0.000 1.148 287 Y CB -0.428 37.846 38.460 -0.309 0.000 0.972 287 Y HN 0.322 nan 8.280 nan 0.000 0.504 288 Y N 0.844 121.197 120.300 0.088 0.000 2.242 288 Y HA -0.216 4.228 4.550 -0.177 0.000 0.291 288 Y C 2.559 178.417 175.900 -0.070 0.000 1.137 288 Y CA 1.980 60.097 58.100 0.029 0.000 1.181 288 Y CB -0.789 37.748 38.460 0.128 0.000 0.989 288 Y HN 0.265 nan 8.280 nan 0.000 0.527 289 Q N 0.412 120.172 119.800 -0.066 0.000 2.181 289 Q HA -0.206 4.028 4.340 -0.177 0.000 0.205 289 Q C 1.785 177.645 176.000 -0.233 0.000 0.980 289 Q CA 2.121 57.830 55.803 -0.157 0.000 0.862 289 Q CB -0.447 28.268 28.738 -0.039 0.000 0.905 289 Q HN 0.614 nan 8.270 nan 0.000 0.429 290 D N -1.242 118.988 120.400 -0.282 0.000 2.149 290 D HA -0.070 4.464 4.640 -0.177 0.000 0.201 290 D C 1.626 177.690 176.300 -0.394 0.000 0.972 290 D CA 1.230 55.030 54.000 -0.334 0.000 0.835 290 D CB -0.166 40.381 40.800 -0.422 0.000 0.966 290 D HN 0.323 nan 8.370 nan 0.000 0.476 291 A N 0.240 122.757 122.820 -0.505 0.000 1.933 291 A HA -0.108 4.106 4.320 -0.177 0.000 0.218 291 A C 2.341 179.723 177.584 -0.336 0.000 1.175 291 A CA 1.064 52.848 52.037 -0.421 0.000 0.628 291 A CB -0.815 17.983 19.000 -0.337 0.000 0.814 291 A HN 0.388 nan 8.150 nan 0.000 0.444 292 I N -0.631 119.686 120.570 -0.422 0.000 2.208 292 I HA -0.279 3.785 4.170 -0.177 0.000 0.245 292 I C 2.539 178.536 176.117 -0.200 0.000 1.097 292 I CA 1.923 63.023 61.300 -0.334 0.000 1.363 292 I CB -0.178 37.598 38.000 -0.373 0.000 1.051 292 I HN 0.304 nan 8.210 nan 0.000 0.413 293 K N 0.704 120.989 120.400 -0.191 0.000 2.025 293 K HA -0.181 4.032 4.320 -0.177 0.000 0.207 293 K C 2.158 178.694 176.600 -0.106 0.000 1.049 293 K CA 1.523 57.733 56.287 -0.129 0.000 0.933 293 K CB -0.096 32.332 32.500 -0.121 0.000 0.714 293 K HN 0.151 nan 8.250 nan 0.000 0.438 294 Q N -0.209 119.515 119.800 -0.126 0.000 2.137 294 Q HA 0.056 4.290 4.340 -0.177 0.000 0.198 294 Q C 2.134 178.100 176.000 -0.056 0.000 0.960 294 Q CA 1.238 57.006 55.803 -0.059 0.000 0.847 294 Q CB 0.166 28.875 28.738 -0.049 0.000 0.915 294 Q HN 0.364 nan 8.270 nan 0.000 0.448 295 L N -1.632 119.533 121.223 -0.098 0.000 2.537 295 L HA 0.243 4.477 4.340 -0.177 0.000 0.224 295 L C 1.946 178.782 176.870 -0.057 0.000 1.065 295 L CA 0.648 55.436 54.840 -0.088 0.000 0.860 295 L CB -0.057 41.935 42.059 -0.111 0.000 1.086 295 L HN 0.142 nan 8.230 nan 0.000 0.482 296 G N -1.739 107.018 108.800 -0.071 0.000 2.838 296 G HA2 -0.132 3.722 3.960 -0.177 0.000 0.210 296 G HA3 -0.132 3.722 3.960 -0.177 0.000 0.210 296 G C 0.342 175.221 174.900 -0.034 0.000 1.153 296 G CA 0.100 45.175 45.100 -0.043 0.000 0.778 296 G HN 0.352 nan 8.290 nan 0.000 0.539 297 D N -0.104 120.269 120.400 -0.045 0.000 2.697 297 D HA -0.174 4.360 4.640 -0.177 0.000 0.235 297 D C -0.062 176.215 176.300 -0.040 0.000 1.167 297 D CA 1.096 55.073 54.000 -0.038 0.000 0.656 297 D CB -1.292 39.496 40.800 -0.020 0.000 1.025 297 D HN 0.302 nan 8.370 nan 0.000 0.419 298 S N -0.365 115.303 115.700 -0.054 0.000 2.546 298 S HA 0.493 4.857 4.470 -0.177 0.000 0.274 298 S C 0.283 174.847 174.600 -0.059 0.000 1.121 298 S CA -0.603 57.568 58.200 -0.047 0.000 0.887 298 S CB 1.599 64.773 63.200 -0.043 0.000 1.094 298 S HN 0.140 nan 8.310 nan 0.000 0.474 299 E N 2.248 122.422 120.200 -0.043 0.000 2.501 299 E HA 0.256 4.499 4.350 -0.177 0.000 0.200 299 E C -0.261 176.319 176.600 -0.032 0.000 1.016 299 E CA -0.097 56.278 56.400 -0.042 0.000 0.921 299 E CB 0.324 30.005 29.700 -0.032 0.000 1.034 299 E HN 0.522 nan 8.360 nan 0.000 0.468 300 L N 1.622 122.827 121.223 -0.030 0.000 2.464 300 L HA 0.088 4.322 4.340 -0.177 0.000 0.264 300 L C 1.036 177.894 176.870 -0.020 0.000 1.199 300 L CA -0.307 54.523 54.840 -0.017 0.000 0.818 300 L CB 0.575 42.629 42.059 -0.009 0.000 1.102 300 L HN 0.070 nan 8.230 nan 0.000 0.473 301 S N 0.813 116.511 115.700 -0.003 0.000 2.614 301 S HA 0.231 4.595 4.470 -0.177 0.000 0.265 301 S C -1.958 172.654 174.600 0.022 0.000 1.303 301 S CA -1.106 57.099 58.200 0.008 0.000 1.000 301 S CB 1.018 64.228 63.200 0.017 0.000 0.935 301 S HN 0.399 nan 8.310 nan 0.000 0.551 302 P HA -0.061 nan 4.420 nan 0.000 0.218 302 P C 1.775 179.115 177.300 0.067 0.000 1.149 302 P CA 1.522 64.682 63.100 0.100 0.000 0.817 302 P CB -0.225 31.592 31.700 0.195 0.000 0.785 303 T N -1.717 112.858 114.554 0.034 0.000 2.857 303 T HA -0.174 4.069 4.350 -0.177 0.000 0.266 303 T C 1.893 176.629 174.700 0.061 0.000 1.048 303 T CA 1.271 63.386 62.100 0.025 0.000 1.139 303 T CB -0.693 68.170 68.868 -0.008 0.000 0.874 303 T HN 0.101 nan 8.240 nan 0.000 0.455 304 Q N 0.078 119.904 119.800 0.043 0.000 2.084 304 Q HA 0.018 4.252 4.340 -0.177 0.000 0.202 304 Q C 2.397 178.423 176.000 0.044 0.000 0.978 304 Q CA 1.788 57.613 55.803 0.038 0.000 0.844 304 Q CB -0.290 28.461 28.738 0.022 0.000 0.898 304 Q HN 0.593 nan 8.270 nan 0.000 0.426 305 I N -0.212 120.387 120.570 0.048 0.000 2.252 305 I HA -0.279 3.784 4.170 -0.177 0.000 0.245 305 I C 2.525 178.674 176.117 0.054 0.000 1.102 305 I CA 1.010 62.336 61.300 0.043 0.000 1.385 305 I CB -0.479 37.542 38.000 0.036 0.000 1.064 305 I HN 0.350 nan 8.210 nan 0.000 0.414 306 H N 0.878 119.927 119.070 -0.034 0.000 2.319 306 H HA -0.254 4.196 4.556 -0.176 0.000 0.299 306 H C 2.240 177.545 175.328 -0.038 0.000 1.092 306 H CA 2.196 58.201 56.048 -0.071 0.000 1.302 306 H CB 0.233 29.930 29.762 -0.109 0.000 1.373 306 H HN 0.261 nan 8.280 nan 0.000 0.497 307 Q N 0.417 120.261 119.800 0.074 0.000 2.119 307 Q HA -0.077 4.156 4.340 -0.177 0.000 0.201 307 Q C 2.327 178.324 176.000 -0.006 0.000 0.972 307 Q CA 0.908 56.729 55.803 0.029 0.000 0.847 307 Q CB -0.208 28.563 28.738 0.055 0.000 0.903 307 Q HN 0.422 nan 8.270 nan 0.000 0.433 308 I N -0.021 120.549 120.570 -0.000 0.000 2.208 308 I HA -0.197 3.867 4.170 -0.177 0.000 0.245 308 I C 2.103 178.208 176.117 -0.020 0.000 1.097 308 I CA 1.678 62.977 61.300 -0.003 0.000 1.363 308 I CB -1.768 36.237 38.000 0.007 0.000 1.051 308 I HN 0.388 nan 8.210 nan 0.000 0.413 309 G N 1.051 109.819 108.800 -0.054 0.000 2.459 309 G HA2 -0.228 3.626 3.960 -0.177 0.000 0.217 309 G HA3 -0.228 3.626 3.960 -0.177 0.000 0.217 309 G C 1.835 176.695 174.900 -0.067 0.000 1.183 309 G CA 0.659 45.711 45.100 -0.080 0.000 0.776 309 G HN 0.341 nan 8.290 nan 0.000 0.552 310 L N 0.400 121.557 121.223 -0.109 0.000 2.012 310 L HA -0.094 4.139 4.340 -0.177 0.000 0.210 310 L C 2.622 179.496 176.870 0.007 0.000 1.073 310 L CA 1.384 56.201 54.840 -0.038 0.000 0.748 310 L CB -0.464 41.569 42.059 -0.043 0.000 0.891 310 L HN 0.108 nan 8.230 nan 0.000 0.431 311 D N -0.323 120.076 120.400 -0.001 0.000 2.117 311 D HA -0.167 4.367 4.640 -0.177 0.000 0.197 311 D C 2.251 178.555 176.300 0.007 0.000 0.987 311 D CA 0.994 54.998 54.000 0.008 0.000 0.829 311 D CB -0.092 40.712 40.800 0.006 0.000 0.961 311 D HN 0.260 nan 8.370 nan 0.000 0.460 312 E N 0.360 120.564 120.200 0.006 0.000 2.106 312 E HA -0.077 4.167 4.350 -0.177 0.000 0.192 312 E C 2.423 179.030 176.600 0.012 0.000 0.984 312 E CA 0.228 56.633 56.400 0.008 0.000 0.806 312 E CB -0.202 29.505 29.700 0.013 0.000 0.750 312 E HN 0.141 nan 8.360 nan 0.000 0.458 313 V N 1.676 121.604 119.914 0.023 0.000 2.332 313 V HA -0.281 3.733 4.120 -0.177 0.000 0.248 313 V C 2.453 178.556 176.094 0.016 0.000 1.055 313 V CA 1.885 64.204 62.300 0.032 0.000 1.038 313 V CB -0.830 31.042 31.823 0.082 0.000 0.651 313 V HN 0.247 nan 8.190 nan 0.000 0.450 314 A N -0.084 122.748 122.820 0.019 0.000 1.877 314 A HA -0.252 3.962 4.320 -0.177 0.000 0.216 314 A C 2.409 179.991 177.584 -0.004 0.000 1.186 314 A CA 2.081 54.124 52.037 0.010 0.000 0.620 314 A CB -0.561 18.449 19.000 0.016 0.000 0.822 314 A HN 0.497 nan 8.150 nan 0.000 0.443 315 R N -0.296 120.200 120.500 -0.006 0.000 2.070 315 R HA -0.092 4.142 4.340 -0.177 0.000 0.233 315 R C 1.996 178.279 176.300 -0.028 0.000 1.137 315 R CA 1.974 58.065 56.100 -0.016 0.000 0.945 315 R CB -0.425 29.866 30.300 -0.015 0.000 0.845 315 R HN 0.520 nan 8.270 nan 0.000 0.430 316 I N 0.974 121.529 120.570 -0.026 0.000 2.252 316 I HA -0.257 3.807 4.170 -0.177 0.000 0.245 316 I C 2.571 178.660 176.117 -0.046 0.000 1.102 316 I CA 1.486 62.762 61.300 -0.040 0.000 1.385 316 I CB -0.311 37.672 38.000 -0.028 0.000 1.064 316 I HN 0.346 nan 8.210 nan 0.000 0.414 317 S N 0.967 116.648 115.700 -0.032 0.000 2.382 317 S HA -0.119 4.245 4.470 -0.177 0.000 0.228 317 S C 2.197 176.773 174.600 -0.040 0.000 1.027 317 S CA 1.104 59.282 58.200 -0.036 0.000 0.991 317 S CB -1.319 61.863 63.200 -0.029 0.000 0.823 317 S HN 0.477 nan 8.310 nan 0.000 0.469 318 G N 1.292 110.072 108.800 -0.034 0.000 2.422 318 G HA2 -0.102 3.752 3.960 -0.177 0.000 0.218 318 G HA3 -0.102 3.752 3.960 -0.177 0.000 0.218 318 G C 1.436 176.308 174.900 -0.046 0.000 1.146 318 G CA 0.961 46.041 45.100 -0.033 0.000 0.769 318 G HN 0.482 nan 8.290 nan 0.000 0.547 319 V N 1.058 120.936 119.914 -0.059 0.000 2.307 319 V HA -0.202 3.812 4.120 -0.177 0.000 0.245 319 V C 2.908 178.946 176.094 -0.092 0.000 1.045 319 V CA 2.112 64.364 62.300 -0.080 0.000 1.024 319 V CB -0.420 31.343 31.823 -0.101 0.000 0.651 319 V HN 0.375 nan 8.190 nan 0.000 0.449 320 M N 0.222 119.766 119.600 -0.093 0.000 2.108 320 M HA -0.200 4.174 4.480 -0.177 0.000 0.261 320 M C 2.171 178.420 176.300 -0.085 0.000 1.066 320 M CA 2.269 57.507 55.300 -0.104 0.000 1.107 320 M CB -0.722 31.819 32.600 -0.098 0.000 1.356 320 M HN 0.463 nan 8.290 nan 0.000 0.406 321 N N 0.518 119.183 118.700 -0.059 0.000 2.069 321 N HA -0.196 4.438 4.740 -0.177 0.000 0.191 321 N C 1.543 177.031 175.510 -0.036 0.000 1.031 321 N CA 1.546 54.573 53.050 -0.038 0.000 0.852 321 N CB -0.023 38.449 38.487 -0.026 0.000 1.018 321 N HN 0.216 nan 8.380 nan 0.000 0.423 322 E N 0.305 120.478 120.200 -0.045 0.000 2.058 322 E HA -0.163 4.080 4.350 -0.177 0.000 0.194 322 E C 2.193 178.761 176.600 -0.053 0.000 0.997 322 E CA 1.001 57.375 56.400 -0.042 0.000 0.801 322 E CB -0.372 29.301 29.700 -0.045 0.000 0.746 322 E HN 0.568 nan 8.360 nan 0.000 0.450 323 I N 0.732 121.252 120.570 -0.083 0.000 2.202 323 I HA -0.264 3.800 4.170 -0.177 0.000 0.242 323 I C 2.544 178.593 176.117 -0.115 0.000 1.091 323 I CA 0.789 62.019 61.300 -0.117 0.000 1.368 323 I CB -0.284 37.617 38.000 -0.164 0.000 1.058 323 I HN 0.022 nan 8.210 nan 0.000 0.410 324 L N 0.168 121.338 121.223 -0.088 0.000 2.012 324 L HA -0.241 3.993 4.340 -0.177 0.000 0.210 324 L C 2.553 179.467 176.870 0.074 0.000 1.073 324 L CA 1.431 56.258 54.840 -0.022 0.000 0.748 324 L CB -0.503 41.554 42.059 -0.003 0.000 0.891 324 L HN 0.250 nan 8.230 nan 0.000 0.431 325 L N -0.575 120.671 121.223 0.038 0.000 2.042 325 L HA -0.243 3.990 4.340 -0.177 0.000 0.210 325 L C 2.795 179.691 176.870 0.042 0.000 1.076 325 L CA 1.320 56.187 54.840 0.045 0.000 0.749 325 L CB -0.736 41.333 42.059 0.016 0.000 0.893 325 L HN 0.279 nan 8.230 nan 0.000 0.432 326 A N -1.117 121.710 122.820 0.011 0.000 2.015 326 A HA -0.168 4.045 4.320 -0.177 0.000 0.219 326 A C 2.063 179.662 177.584 0.026 0.000 1.163 326 A CA 1.109 53.148 52.037 0.003 0.000 0.646 326 A CB -0.214 18.770 19.000 -0.027 0.000 0.806 326 A HN 0.411 nan 8.150 nan 0.000 0.448 327 Q N -1.420 118.412 119.800 0.054 0.000 2.403 327 Q HA 0.178 4.412 4.340 -0.177 0.000 0.203 327 Q C 1.112 177.281 176.000 0.281 0.000 0.932 327 Q CA 0.752 56.649 55.803 0.156 0.000 0.945 327 Q CB 0.203 29.014 28.738 0.121 0.000 1.045 327 Q HN 0.977 nan 8.270 nan 0.000 0.511 328 G N 0.497 109.402 108.800 0.174 0.000 2.141 328 G HA2 -0.276 3.578 3.960 -0.177 0.000 0.231 328 G HA3 -0.276 3.578 3.960 -0.177 0.000 0.231 328 G C -0.427 174.444 174.900 -0.048 0.000 0.984 328 G CA -0.363 44.770 45.100 0.054 0.000 0.660 328 G HN 0.344 nan 8.290 nan 0.000 0.525 329 Y N 1.605 121.933 120.300 0.046 0.000 2.700 329 Y HA 0.454 4.899 4.550 -0.174 0.000 0.333 329 Y C 1.723 177.632 175.900 0.016 0.000 1.036 329 Y CA 0.278 58.403 58.100 0.042 0.000 1.287 329 Y CB 1.244 39.742 38.460 0.062 0.000 1.132 329 Y HN 0.253 nan 8.280 nan 0.000 0.510 330 T N -1.815 112.772 114.554 0.055 0.000 3.001 330 T HA 0.129 4.372 4.350 -0.177 0.000 0.251 330 T C 0.352 175.069 174.700 0.028 0.000 1.040 330 T CA -0.365 61.755 62.100 0.034 0.000 0.985 330 T CB 0.200 69.070 68.868 0.004 0.000 1.011 330 T HN 0.326 nan 8.240 nan 0.000 0.509 331 K N 1.265 121.684 120.400 0.032 0.000 2.213 331 K HA 0.532 4.746 4.320 -0.177 0.000 0.270 331 K C 0.585 177.206 176.600 0.036 0.000 1.002 331 K CA 0.214 56.515 56.287 0.023 0.000 0.868 331 K CB 0.605 33.111 32.500 0.010 0.000 1.093 331 K HN 0.426 nan 8.250 nan 0.000 0.454 332 G N 1.827 110.641 108.800 0.023 0.000 2.725 332 G HA2 -0.275 3.579 3.960 -0.177 0.000 0.220 332 G HA3 -0.275 3.579 3.960 -0.177 0.000 0.220 332 G C -0.205 174.704 174.900 0.015 0.000 1.357 332 G CA -0.377 44.734 45.100 0.019 0.000 0.866 332 G HN 0.864 nan 8.290 nan 0.000 0.548 333 T N -2.141 112.416 114.554 0.006 0.000 2.813 333 T HA 0.479 4.723 4.350 -0.177 0.000 0.297 333 T C 1.796 176.494 174.700 -0.003 0.000 1.036 333 T CA 0.440 62.538 62.100 -0.005 0.000 1.044 333 T CB 1.369 70.226 68.868 -0.018 0.000 0.993 333 T HN 1.451 nan 8.240 nan 0.000 0.535 334 V N 2.382 122.286 119.914 -0.016 0.000 2.282 334 V HA -0.099 3.915 4.120 -0.177 0.000 0.249 334 V C 2.919 178.997 176.094 -0.027 0.000 1.057 334 V CA 2.477 64.761 62.300 -0.026 0.000 1.032 334 V CB -1.644 30.156 31.823 -0.038 0.000 0.645 334 V HN 1.133 nan 8.190 nan 0.000 0.447 335 G N -0.677 108.109 108.800 -0.023 0.000 2.418 335 G HA2 -0.248 3.606 3.960 -0.177 0.000 0.217 335 G HA3 -0.248 3.606 3.960 -0.177 0.000 0.217 335 G C 1.450 176.350 174.900 0.001 0.000 1.158 335 G CA 0.930 46.023 45.100 -0.013 0.000 0.771 335 G HN 0.585 nan 8.290 nan 0.000 0.545 336 E N 0.043 120.246 120.200 0.006 0.000 2.110 336 E HA -0.081 4.162 4.350 -0.177 0.000 0.193 336 E C 2.738 179.360 176.600 0.037 0.000 0.988 336 E CA 0.567 56.980 56.400 0.022 0.000 0.804 336 E CB -0.085 29.629 29.700 0.023 0.000 0.745 336 E HN 0.346 nan 8.360 nan 0.000 0.458 337 R N -0.083 120.437 120.500 0.034 0.000 2.075 337 R HA -0.051 4.182 4.340 -0.177 0.000 0.232 337 R C 2.283 178.564 176.300 -0.031 0.000 1.126 337 R CA 1.145 57.276 56.100 0.053 0.000 0.963 337 R CB -0.071 30.268 30.300 0.065 0.000 0.858 337 R HN 0.158 nan 8.270 nan 0.000 0.435 338 M N 0.119 119.678 119.600 -0.068 0.000 2.175 338 M HA -0.105 4.269 4.480 -0.177 0.000 0.264 338 M C 2.298 178.591 176.300 -0.011 0.000 1.063 338 M CA 1.282 56.513 55.300 -0.115 0.000 1.119 338 M CB -0.619 31.927 32.600 -0.090 0.000 1.377 338 M HN -0.011 nan 8.290 nan 0.000 0.415 339 V N 0.569 120.500 119.914 0.029 0.000 2.343 339 V HA -0.233 3.780 4.120 -0.177 0.000 0.247 339 V C 2.705 178.847 176.094 0.079 0.000 1.051 339 V CA 1.823 64.160 62.300 0.062 0.000 1.036 339 V CB -1.283 30.570 31.823 0.050 0.000 0.654 339 V HN 0.480 nan 8.190 nan 0.000 0.451 340 A N -0.350 122.516 122.820 0.077 0.000 1.902 340 A HA -0.156 4.058 4.320 -0.177 0.000 0.217 340 A C 2.207 179.875 177.584 0.140 0.000 1.181 340 A CA 1.719 53.826 52.037 0.116 0.000 0.623 340 A CB -0.555 18.542 19.000 0.162 0.000 0.818 340 A HN 0.496 nan 8.150 nan 0.000 0.443 341 L N -0.135 121.128 121.223 0.066 0.000 2.079 341 L HA -0.210 4.024 4.340 -0.177 0.000 0.210 341 L C 2.402 179.459 176.870 0.312 0.000 1.081 341 L CA 1.388 56.259 54.840 0.051 0.000 0.752 341 L CB -0.552 41.245 42.059 -0.437 0.000 0.896 341 L HN 0.429 nan 8.230 nan 0.000 0.433 342 N N 0.385 119.262 118.700 0.295 0.000 2.453 342 N HA -0.164 4.470 4.740 -0.177 0.000 0.183 342 N C 1.476 177.110 175.510 0.205 0.000 1.041 342 N CA 0.959 54.194 53.050 0.307 0.000 0.900 342 N CB 0.142 38.760 38.487 0.219 0.000 0.961 342 N HN 0.470 nan 8.380 nan 0.000 0.443 343 E N -0.158 120.151 120.200 0.180 0.000 2.371 343 E HA 0.012 4.256 4.350 -0.177 0.000 0.194 343 E C -0.203 176.469 176.600 0.119 0.000 1.012 343 E CA 0.169 56.645 56.400 0.127 0.000 0.860 343 E CB 0.170 29.928 29.700 0.097 0.000 0.811 343 E HN 0.463 nan 8.360 nan 0.000 0.502 344 E N 2.160 122.465 120.200 0.174 0.000 2.338 344 E HA 0.007 4.251 4.350 -0.177 0.000 0.272 344 E C -1.700 174.892 176.600 -0.013 0.000 1.029 344 E CA -1.624 54.818 56.400 0.071 0.000 0.872 344 E CB 0.785 30.514 29.700 0.048 0.000 1.015 344 E HN 0.005 nan 8.360 nan 0.000 0.417 345 P HA -0.197 nan 4.420 nan 0.000 0.223 345 P C 1.036 178.225 177.300 -0.185 0.000 1.151 345 P CA 1.080 64.126 63.100 -0.090 0.000 0.787 345 P CB 0.059 31.717 31.700 -0.070 0.000 0.788 346 R N -0.849 119.448 120.500 -0.338 0.000 2.200 346 R HA -0.069 4.164 4.340 -0.177 0.000 0.234 346 R C 1.006 176.988 176.300 -0.530 0.000 1.127 346 R CA 1.292 57.095 56.100 -0.496 0.000 0.989 346 R CB -1.194 28.686 30.300 -0.700 0.000 0.869 346 R HN 0.120 nan 8.270 nan 0.000 0.459 347 F N 1.022 120.918 119.950 -0.090 0.000 2.664 347 F HA 0.413 4.831 4.527 -0.180 0.000 0.303 347 F C 0.234 175.924 175.800 -0.184 0.000 1.092 347 F CA -0.475 57.462 58.000 -0.105 0.000 1.305 347 F CB 0.397 39.412 39.000 0.025 0.000 1.054 347 F HN -0.133 nan 8.300 nan 0.000 0.565 348 L N -0.355 120.829 121.223 -0.065 0.000 2.356 348 L HA 0.395 4.629 4.340 -0.177 0.000 0.277 348 L C -0.783 176.006 176.870 -0.135 0.000 0.996 348 L CA -1.038 53.768 54.840 -0.057 0.000 0.822 348 L CB 1.491 43.552 42.059 0.004 0.000 1.256 348 L HN -0.102 nan 8.230 nan 0.000 0.413 349 Y N 0.998 121.304 120.300 0.010 0.000 2.326 349 Y HA 0.088 4.529 4.550 -0.183 0.000 0.333 349 Y C 0.833 176.732 175.900 -0.002 0.000 1.240 349 Y CA -0.118 57.983 58.100 0.001 0.000 1.365 349 Y CB 0.619 39.077 38.460 -0.003 0.000 1.289 349 Y HN 0.509 nan 8.280 nan 0.000 0.548 350 E N 1.508 121.804 120.200 0.161 0.000 2.414 350 E HA -0.111 4.133 4.350 -0.177 0.000 0.263 350 E C -0.801 175.847 176.600 0.080 0.000 1.000 350 E CA -0.466 55.986 56.400 0.087 0.000 0.914 350 E CB 0.446 30.184 29.700 0.065 0.000 0.948 350 E HN 0.547 nan 8.360 nan 0.000 0.444 351 D N 3.323 123.755 120.400 0.052 0.000 2.498 351 D HA 0.083 4.616 4.640 -0.177 0.000 0.229 351 D C -1.326 174.988 176.300 0.023 0.000 1.188 351 D CA 0.142 54.163 54.000 0.036 0.000 1.028 351 D CB -0.353 40.464 40.800 0.029 0.000 1.087 351 D HN 0.403 nan 8.370 nan 0.000 0.510 352 S N 1.309 117.021 115.700 0.020 0.000 2.636 352 S HA 0.310 4.673 4.470 -0.177 0.000 0.268 352 S C 1.116 175.715 174.600 -0.001 0.000 1.159 352 S CA -0.868 57.338 58.200 0.010 0.000 0.815 352 S CB 0.253 63.461 63.200 0.014 0.000 1.130 352 S HN 0.097 nan 8.310 nan 0.000 0.471 353 I N 1.115 121.682 120.570 -0.006 0.000 2.226 353 I HA -0.134 3.930 4.170 -0.177 0.000 0.245 353 I C 2.917 179.021 176.117 -0.020 0.000 1.100 353 I CA 1.836 63.127 61.300 -0.015 0.000 1.374 353 I CB -0.801 37.191 38.000 -0.013 0.000 1.057 353 I HN 0.852 nan 8.210 nan 0.000 0.413 354 A N 0.926 123.741 122.820 -0.009 0.000 1.902 354 A HA -0.125 4.089 4.320 -0.177 0.000 0.217 354 A C 2.447 180.030 177.584 -0.002 0.000 1.181 354 A CA 1.921 53.955 52.037 -0.005 0.000 0.623 354 A CB -1.434 17.571 19.000 0.007 0.000 0.818 354 A HN 0.459 nan 8.150 nan 0.000 0.443 355 G N -0.698 108.112 108.800 0.016 0.000 2.418 355 G HA2 -0.218 3.636 3.960 -0.177 0.000 0.217 355 G HA3 -0.218 3.636 3.960 -0.177 0.000 0.217 355 G C 1.789 176.638 174.900 -0.086 0.000 1.158 355 G CA 0.894 46.022 45.100 0.048 0.000 0.771 355 G HN 0.556 nan 8.290 nan 0.000 0.545 356 R N 0.246 120.690 120.500 -0.093 0.000 2.090 356 R HA 0.023 4.257 4.340 -0.177 0.000 0.228 356 R C 2.527 178.719 176.300 -0.179 0.000 1.110 356 R CA 1.160 57.166 56.100 -0.156 0.000 0.973 356 R CB -0.205 30.042 30.300 -0.088 0.000 0.869 356 R HN 0.452 nan 8.270 nan 0.000 0.440 357 E N 0.451 120.579 120.200 -0.119 0.000 2.110 357 E HA -0.230 4.014 4.350 -0.177 0.000 0.193 357 E C 1.868 178.385 176.600 -0.137 0.000 0.988 357 E CA 1.061 57.392 56.400 -0.114 0.000 0.804 357 E CB 0.045 29.703 29.700 -0.070 0.000 0.745 357 E HN 0.379 nan 8.360 nan 0.000 0.458 358 E N 0.992 121.115 120.200 -0.128 0.000 2.072 358 E HA -0.171 4.073 4.350 -0.177 0.000 0.190 358 E C 2.206 178.654 176.600 -0.253 0.000 0.982 358 E CA 0.409 56.754 56.400 -0.092 0.000 0.803 358 E CB 0.003 29.740 29.700 0.062 0.000 0.755 358 E HN 0.215 nan 8.360 nan 0.000 0.453 359 L N 0.715 121.555 121.223 -0.638 0.000 2.012 359 L HA -0.209 4.024 4.340 -0.177 0.000 0.210 359 L C 2.375 178.996 176.870 -0.416 0.000 1.073 359 L CA 1.251 55.545 54.840 -0.911 0.000 0.748 359 L CB -0.181 41.223 42.059 -1.093 0.000 0.891 359 L HN 0.242 nan 8.230 nan 0.000 0.431 360 L N -0.945 120.086 121.223 -0.320 0.000 2.046 360 L HA -0.231 4.003 4.340 -0.177 0.000 0.208 360 L C 2.812 179.555 176.870 -0.213 0.000 1.077 360 L CA 1.430 56.122 54.840 -0.248 0.000 0.747 360 L CB -0.704 41.231 42.059 -0.206 0.000 0.896 360 L HN 0.327 nan 8.230 nan 0.000 0.432 361 S N -0.274 115.317 115.700 -0.183 0.000 2.370 361 S HA -0.218 4.146 4.470 -0.177 0.000 0.226 361 S C 1.650 176.132 174.600 -0.198 0.000 1.033 361 S CA 1.761 59.871 58.200 -0.150 0.000 1.011 361 S CB -0.226 62.911 63.200 -0.105 0.000 0.852 361 S HN 0.410 nan 8.310 nan 0.000 0.457 362 D N 1.064 121.321 120.400 -0.237 0.000 2.117 362 D HA -0.031 4.503 4.640 -0.177 0.000 0.197 362 D C 1.911 177.779 176.300 -0.720 0.000 0.987 362 D CA 1.080 54.838 54.000 -0.405 0.000 0.829 362 D CB -0.417 40.239 40.800 -0.241 0.000 0.961 362 D HN 0.448 nan 8.370 nan 0.000 0.460 363 I N 0.784 121.097 120.570 -0.429 0.000 2.226 363 I HA -0.265 3.799 4.170 -0.177 0.000 0.245 363 I C 1.867 177.907 176.117 -0.129 0.000 1.100 363 I CA 0.990 62.145 61.300 -0.242 0.000 1.374 363 I CB -0.240 37.700 38.000 -0.100 0.000 1.057 363 I HN -0.026 nan 8.210 nan 0.000 0.413 364 N N 0.484 119.097 118.700 -0.145 0.000 2.166 364 N HA -0.146 4.487 4.740 -0.177 0.000 0.186 364 N C 1.951 177.431 175.510 -0.050 0.000 1.019 364 N CA 1.206 54.214 53.050 -0.071 0.000 0.856 364 N CB -0.269 38.163 38.487 -0.091 0.000 0.993 364 N HN 0.397 nan 8.380 nan 0.000 0.426 365 G N 0.230 108.953 108.800 -0.129 0.000 2.446 365 G HA2 -0.278 3.576 3.960 -0.177 0.000 0.217 365 G HA3 -0.278 3.576 3.960 -0.177 0.000 0.217 365 G C 0.901 175.829 174.900 0.047 0.000 1.168 365 G CA 0.849 45.897 45.100 -0.087 0.000 0.771 365 G HN 0.266 nan 8.290 nan 0.000 0.551 366 Y N 0.866 121.201 120.300 0.059 0.000 2.165 366 Y HA -0.026 4.414 4.550 -0.183 0.000 0.286 366 Y C 2.810 178.798 175.900 0.147 0.000 1.155 366 Y CA 0.191 58.347 58.100 0.094 0.000 1.164 366 Y CB -0.802 37.668 38.460 0.016 0.000 0.978 366 Y HN 0.171 nan 8.280 nan 0.000 0.513 367 I N -0.770 119.962 120.570 0.270 0.000 2.179 367 I HA -0.312 3.752 4.170 -0.177 0.000 0.242 367 I C 2.176 178.372 176.117 0.133 0.000 1.088 367 I CA 1.878 63.298 61.300 0.199 0.000 1.357 367 I CB -0.853 37.245 38.000 0.162 0.000 1.051 367 I HN 0.144 nan 8.210 nan 0.000 0.409 368 T N -0.093 114.522 114.554 0.103 0.000 2.746 368 T HA -0.234 4.009 4.350 -0.177 0.000 0.267 368 T C 1.803 176.545 174.700 0.069 0.000 1.039 368 T CA 1.658 63.802 62.100 0.074 0.000 1.142 368 T CB -0.264 68.635 68.868 0.051 0.000 0.866 368 T HN 0.462 nan 8.240 nan 0.000 0.444 369 E N 0.361 120.616 120.200 0.093 0.000 2.047 369 E HA -0.101 4.143 4.350 -0.177 0.000 0.191 369 E C 2.321 178.939 176.600 0.029 0.000 0.987 369 E CA 0.911 57.355 56.400 0.072 0.000 0.799 369 E CB -0.208 29.560 29.700 0.113 0.000 0.752 369 E HN 0.257 nan 8.360 nan 0.000 0.449 370 V N 0.740 120.677 119.914 0.037 0.000 2.515 370 V HA -0.194 3.820 4.120 -0.177 0.000 0.250 370 V C 2.016 178.026 176.094 -0.140 0.000 1.058 370 V CA 2.377 64.615 62.300 -0.103 0.000 1.064 370 V CB -0.443 31.260 31.823 -0.201 0.000 0.675 370 V HN 0.416 nan 8.190 nan 0.000 0.461 371 T N 0.476 114.978 114.554 -0.087 0.000 2.777 371 T HA -0.089 4.155 4.350 -0.177 0.000 0.266 371 T C 2.001 176.663 174.700 -0.063 0.000 1.040 371 T CA 1.571 63.595 62.100 -0.126 0.000 1.141 371 T CB -0.489 68.376 68.868 -0.006 0.000 0.868 371 T HN 0.649 nan 8.240 nan 0.000 0.444 372 A N 1.935 124.749 122.820 -0.009 0.000 1.877 372 A HA -0.100 4.114 4.320 -0.177 0.000 0.216 372 A C 2.269 179.851 177.584 -0.003 0.000 1.186 372 A CA 1.214 53.258 52.037 0.012 0.000 0.620 372 A CB -0.273 18.741 19.000 0.023 0.000 0.822 372 A HN 0.206 nan 8.150 nan 0.000 0.443 373 K N 0.002 120.386 120.400 -0.027 0.000 2.288 373 K HA -0.040 4.174 4.320 -0.177 0.000 0.201 373 K C 1.889 178.472 176.600 -0.028 0.000 1.048 373 K CA 1.367 57.635 56.287 -0.032 0.000 0.956 373 K CB -0.497 31.970 32.500 -0.055 0.000 0.746 373 K HN 0.870 nan 8.250 nan 0.000 0.461 374 M N -1.650 117.922 119.600 -0.048 0.000 2.595 374 M HA 0.219 4.593 4.480 -0.177 0.000 0.248 374 M C 1.857 178.224 176.300 0.113 0.000 1.119 374 M CA 0.821 56.137 55.300 0.027 0.000 1.079 374 M CB -0.218 32.353 32.600 -0.047 0.000 1.472 374 M HN -0.093 nan 8.290 nan 0.000 0.501 375 A N 2.018 124.879 122.820 0.068 0.000 1.986 375 A HA -0.063 4.151 4.320 -0.177 0.000 0.220 375 A C -0.396 177.260 177.584 0.120 0.000 1.171 375 A CA 1.352 53.462 52.037 0.121 0.000 0.640 375 A CB -1.820 17.240 19.000 0.100 0.000 0.811 375 A HN 0.486 nan 8.150 nan 0.000 0.451 376 P HA -0.033 nan 4.420 nan 0.000 0.229 376 P C 1.103 178.422 177.300 0.032 0.000 1.160 376 P CA 1.491 64.621 63.100 0.050 0.000 0.777 376 P CB -0.005 31.711 31.700 0.027 0.000 0.814 377 V N -7.200 112.731 119.914 0.027 0.000 3.528 377 V HA 0.375 4.389 4.120 -0.177 0.000 0.294 377 V C -0.021 175.949 176.094 -0.206 0.000 1.404 377 V CA 0.031 62.281 62.300 -0.084 0.000 1.065 377 V CB -0.824 30.932 31.823 -0.111 0.000 0.904 377 V HN -0.200 nan 8.190 nan 0.000 0.435 378 F N 2.543 122.605 119.950 0.187 0.000 2.686 378 F HA 0.534 4.943 4.527 -0.197 0.000 0.365 378 F C 1.278 177.251 175.800 0.289 0.000 1.196 378 F CA -0.921 57.233 58.000 0.257 0.000 1.198 378 F CB 1.326 40.376 39.000 0.083 0.000 1.454 378 F HN 0.055 nan 8.300 nan 0.000 0.539 379 R N -1.263 119.433 120.500 0.328 0.000 2.317 379 R HA 0.199 4.433 4.340 -0.177 0.000 0.208 379 R C -0.529 175.897 176.300 0.210 0.000 0.914 379 R CA 0.361 56.597 56.100 0.227 0.000 1.060 379 R CB -0.111 30.263 30.300 0.122 0.000 1.015 379 R HN 0.269 nan 8.270 nan 0.000 0.498 380 T N 1.840 116.545 114.554 0.251 0.000 2.788 380 T HA 0.248 4.492 4.350 -0.177 0.000 0.296 380 T C -0.713 174.007 174.700 0.033 0.000 1.009 380 T CA -0.294 61.871 62.100 0.109 0.000 0.949 380 T CB 1.908 70.795 68.868 0.031 0.000 0.946 380 T HN -0.006 nan 8.240 nan 0.000 0.453 381 T N 6.672 121.201 114.554 -0.041 0.000 2.799 381 T HA 0.478 4.722 4.350 -0.177 0.000 0.286 381 T C -1.991 172.475 174.700 -0.389 0.000 0.973 381 T CA -1.145 60.816 62.100 -0.232 0.000 1.035 381 T CB 0.976 69.855 68.868 0.018 0.000 0.932 381 T HN 0.381 nan 8.240 nan 0.000 0.469 382 P HA 0.218 nan 4.420 nan 0.000 0.276 382 P C 0.708 177.889 177.300 -0.199 0.000 1.252 382 P CA -0.524 62.336 63.100 -0.401 0.000 0.802 382 P CB 0.876 32.265 31.700 -0.519 0.000 1.035 383 S N -0.325 115.280 115.700 -0.159 0.000 2.461 383 S HA -0.018 4.346 4.470 -0.177 0.000 0.228 383 S C 0.550 175.033 174.600 -0.195 0.000 1.005 383 S CA 0.274 58.341 58.200 -0.222 0.000 0.942 383 S CB -0.901 62.076 63.200 -0.370 0.000 0.776 383 S HN 0.409 nan 8.310 nan 0.000 0.514 384 Y N 1.960 122.269 120.300 0.015 0.000 2.320 384 Y HA 0.547 4.989 4.550 -0.180 0.000 0.324 384 Y C 0.617 176.674 175.900 0.263 0.000 1.190 384 Y CA -0.942 57.233 58.100 0.125 0.000 1.215 384 Y CB 0.711 39.263 38.460 0.153 0.000 1.221 384 Y HN 0.170 nan 8.280 nan 0.000 0.486 385 Q N 1.351 121.355 119.800 0.339 0.000 2.260 385 Q HA 0.550 4.784 4.340 -0.177 0.000 0.242 385 Q C -1.401 174.602 176.000 0.005 0.000 0.932 385 Q CA -0.687 55.227 55.803 0.184 0.000 0.891 385 Q CB 1.576 30.371 28.738 0.096 0.000 1.222 385 Q HN 0.629 nan 8.270 nan 0.000 0.453 386 V N 2.644 122.384 119.914 -0.290 0.000 2.581 386 V HA 0.470 4.484 4.120 -0.177 0.000 0.303 386 V C -1.105 174.907 176.094 -0.137 0.000 1.041 386 V CA -0.326 61.752 62.300 -0.370 0.000 0.907 386 V CB 1.840 33.294 31.823 -0.615 0.000 0.994 386 V HN 0.965 nan 8.190 nan 0.000 0.442 387 E N 3.600 123.725 120.200 -0.125 0.000 2.244 387 E HA 0.673 4.917 4.350 -0.177 0.000 0.266 387 E C -1.727 174.752 176.600 -0.203 0.000 0.914 387 E CA -0.712 55.598 56.400 -0.149 0.000 0.794 387 E CB 2.334 31.923 29.700 -0.184 0.000 1.210 387 E HN 0.554 nan 8.360 nan 0.000 0.414 388 V N 3.588 123.365 119.914 -0.229 0.000 2.398 388 V HA 0.446 4.460 4.120 -0.177 0.000 0.286 388 V C -0.374 175.476 176.094 -0.406 0.000 1.026 388 V CA -0.530 61.560 62.300 -0.350 0.000 0.868 388 V CB 1.358 32.982 31.823 -0.332 0.000 0.982 388 V HN 0.618 nan 8.190 nan 0.000 0.443 389 K N 2.200 122.274 120.400 -0.544 0.000 2.469 389 K HA 0.583 4.796 4.320 -0.177 0.000 0.254 389 K C -0.438 175.986 176.600 -0.292 0.000 0.939 389 K CA -0.598 55.420 56.287 -0.448 0.000 0.812 389 K CB 2.434 34.510 32.500 -0.707 0.000 1.301 389 K HN 0.762 nan 8.250 nan 0.000 0.433 390 S N 1.051 116.685 115.700 -0.109 0.000 2.565 390 S HA 0.352 4.716 4.470 -0.177 0.000 0.274 390 S C -0.023 174.712 174.600 0.225 0.000 1.309 390 S CA -0.699 57.512 58.200 0.018 0.000 1.043 390 S CB 0.058 63.266 63.200 0.013 0.000 0.939 390 S HN 0.314 nan 8.310 nan 0.000 0.504 391 F N 2.511 122.623 119.950 0.270 0.000 2.607 391 F HA 0.250 4.672 4.527 -0.175 0.000 0.374 391 F C -1.729 174.126 175.800 0.090 0.000 1.104 391 F CA -1.220 56.883 58.000 0.172 0.000 1.296 391 F CB -0.477 38.545 39.000 0.036 0.000 1.085 391 F HN 0.408 nan 8.300 nan 0.000 0.584 392 P HA -0.063 nan 4.420 nan 0.000 0.267 392 P C 0.913 178.266 177.300 0.088 0.000 1.200 392 P CA 0.046 63.230 63.100 0.140 0.000 0.772 392 P CB 0.528 32.284 31.700 0.093 0.000 0.855 393 V N 0.906 120.852 119.914 0.054 0.000 2.453 393 V HA -0.282 3.732 4.120 -0.177 0.000 0.252 393 V C 1.507 177.599 176.094 -0.004 0.000 1.068 393 V CA 1.880 64.194 62.300 0.025 0.000 1.070 393 V CB -1.393 30.437 31.823 0.013 0.000 0.664 393 V HN 0.343 nan 8.190 nan 0.000 0.461 394 E N 1.293 121.485 120.200 -0.013 0.000 2.204 394 E HA -0.076 4.168 4.350 -0.177 0.000 0.195 394 E C 1.923 178.484 176.600 -0.065 0.000 0.990 394 E CA 1.803 58.175 56.400 -0.048 0.000 0.821 394 E CB -0.285 29.381 29.700 -0.056 0.000 0.750 394 E HN 0.834 nan 8.360 nan 0.000 0.477 395 V N -1.907 117.975 119.914 -0.053 0.000 3.432 395 V HA 0.084 4.098 4.120 -0.177 0.000 0.298 395 V C 1.724 177.729 176.094 -0.149 0.000 1.464 395 V CA 0.275 62.517 62.300 -0.096 0.000 1.046 395 V CB -0.075 31.686 31.823 -0.103 0.000 0.887 395 V HN 0.186 nan 8.190 nan 0.000 0.441 396 Q N 0.442 120.187 119.800 -0.092 0.000 2.224 396 Q HA -0.219 4.014 4.340 -0.177 0.000 0.203 396 Q C 1.371 177.289 176.000 -0.137 0.000 0.970 396 Q CA 2.094 57.824 55.803 -0.122 0.000 0.865 396 Q CB -0.536 28.206 28.738 0.006 0.000 0.922 396 Q HN 0.514 nan 8.270 nan 0.000 0.445 397 D N 1.486 121.830 120.400 -0.093 0.000 2.123 397 D HA -0.112 4.422 4.640 -0.177 0.000 0.196 397 D C 1.912 178.157 176.300 -0.091 0.000 0.992 397 D CA 1.748 55.704 54.000 -0.073 0.000 0.833 397 D CB -0.444 40.326 40.800 -0.051 0.000 0.954 397 D HN 0.530 nan 8.370 nan 0.000 0.455 398 G N -0.378 108.354 108.800 -0.114 0.000 2.777 398 G HA2 0.242 4.096 3.960 -0.177 0.000 0.211 398 G HA3 0.242 4.096 3.960 -0.177 0.000 0.211 398 G C 0.582 175.361 174.900 -0.201 0.000 1.149 398 G CA 0.443 45.474 45.100 -0.115 0.000 0.785 398 G HN 0.420 nan 8.290 nan 0.000 0.536 399 A N 1.133 123.742 122.820 -0.352 0.000 2.351 399 A HA 0.618 4.832 4.320 -0.177 0.000 0.257 399 A C -1.662 175.710 177.584 -0.354 0.000 1.087 399 A CA -1.041 50.627 52.037 -0.616 0.000 0.798 399 A CB 0.383 18.483 19.000 -1.499 0.000 1.033 399 A HN 0.186 nan 8.150 nan 0.000 0.488 400 P HA 0.091 nan 4.420 nan 0.000 0.271 400 P C 1.143 178.518 177.300 0.124 0.000 1.244 400 P CA 0.450 63.562 63.100 0.019 0.000 0.793 400 P CB 0.296 32.084 31.700 0.145 0.000 0.984 401 G N -0.160 108.725 108.800 0.140 0.000 2.432 401 G HA2 0.141 3.994 3.960 -0.177 0.000 0.219 401 G HA3 0.141 3.994 3.960 -0.177 0.000 0.219 401 G C 0.664 175.751 174.900 0.312 0.000 1.135 401 G CA 0.838 46.042 45.100 0.173 0.000 0.767 401 G HN 0.869 nan 8.290 nan 0.000 0.550 402 G N -1.734 107.288 108.800 0.369 0.000 2.742 402 G HA2 0.561 4.414 3.960 -0.177 0.000 0.296 402 G HA3 0.561 4.414 3.960 -0.177 0.000 0.296 402 G C -1.747 173.444 174.900 0.486 0.000 1.436 402 G CA -0.386 44.991 45.100 0.461 0.000 0.928 402 G HN 0.356 nan 8.290 nan 0.000 0.520 403 Q N -0.124 120.006 119.800 0.550 0.000 2.426 403 Q HA 0.515 4.749 4.340 -0.177 0.000 0.278 403 Q C -2.303 174.052 176.000 0.591 0.000 1.007 403 Q CA -0.952 55.169 55.803 0.530 0.000 0.850 403 Q CB 2.812 31.859 28.738 0.515 0.000 1.427 403 Q HN 0.685 nan 8.270 nan 0.000 0.391 404 Y N 1.770 122.296 120.300 0.376 0.000 2.352 404 Y HA 0.550 4.997 4.550 -0.172 0.000 0.339 404 Y C -0.928 175.121 175.900 0.248 0.000 0.992 404 Y CA -0.240 58.048 58.100 0.313 0.000 1.100 404 Y CB 1.748 40.378 38.460 0.282 0.000 1.192 404 Y HN 0.592 nan 8.280 nan 0.000 0.458 405 T N 2.043 116.363 114.554 -0.390 0.000 2.794 405 T HA 0.528 4.772 4.350 -0.177 0.000 0.280 405 T C -0.229 174.011 174.700 -0.766 0.000 0.987 405 T CA -0.888 61.010 62.100 -0.337 0.000 0.993 405 T CB 1.041 69.952 68.868 0.072 0.000 0.939 405 T HN 0.616 nan 8.240 nan 0.000 0.449 406 S N 4.748 120.225 115.700 -0.373 0.000 2.568 406 S HA 0.304 4.668 4.470 -0.177 0.000 0.282 406 S C -2.117 172.418 174.600 -0.107 0.000 1.338 406 S CA -0.728 57.385 58.200 -0.145 0.000 1.045 406 S CB -0.208 63.033 63.200 0.069 0.000 0.873 406 S HN 0.679 nan 8.310 nan 0.000 0.516 407 P HA 0.195 nan 4.420 nan 0.000 0.269 407 P C -0.859 176.425 177.300 -0.026 0.000 1.215 407 P CA -0.367 62.698 63.100 -0.060 0.000 0.780 407 P CB 0.241 31.834 31.700 -0.178 0.000 0.898 408 A N 2.344 125.198 122.820 0.056 0.000 2.477 408 A HA 0.179 4.392 4.320 -0.177 0.000 0.246 408 A C 1.532 179.202 177.584 0.145 0.000 1.078 408 A CA -0.045 52.058 52.037 0.111 0.000 0.770 408 A CB -0.365 18.701 19.000 0.109 0.000 1.011 408 A HN 0.566 nan 8.150 nan 0.000 0.494 409 V N 0.280 120.298 119.914 0.174 0.000 2.759 409 V HA -0.122 3.892 4.120 -0.177 0.000 0.256 409 V C 1.302 177.510 176.094 0.190 0.000 1.080 409 V CA 2.266 64.689 62.300 0.206 0.000 1.101 409 V CB -0.712 31.259 31.823 0.247 0.000 0.698 409 V HN 0.881 nan 8.190 nan 0.000 0.477 410 D N 0.155 120.639 120.400 0.141 0.000 2.319 410 D HA 0.201 4.735 4.640 -0.177 0.000 0.230 410 D C 1.650 178.010 176.300 0.100 0.000 1.094 410 D CA 0.674 54.733 54.000 0.099 0.000 0.856 410 D CB 0.072 40.911 40.800 0.064 0.000 0.915 410 D HN 0.876 nan 8.370 nan 0.000 0.517 411 G N 0.824 109.709 108.800 0.142 0.000 2.205 411 G HA2 -0.392 3.462 3.960 -0.177 0.000 0.261 411 G HA3 -0.392 3.462 3.960 -0.177 0.000 0.261 411 G C 1.082 176.039 174.900 0.096 0.000 0.980 411 G CA 0.819 45.993 45.100 0.124 0.000 0.632 411 G HN 0.726 nan 8.290 nan 0.000 0.533 412 S N -0.725 115.027 115.700 0.086 0.000 2.653 412 S HA 0.336 4.700 4.470 -0.177 0.000 0.233 412 S C 0.590 175.232 174.600 0.070 0.000 0.970 412 S CA 1.595 59.836 58.200 0.069 0.000 0.947 412 S CB 0.206 63.444 63.200 0.063 0.000 0.771 412 S HN 0.748 nan 8.310 nan 0.000 0.538 413 K N 1.301 121.753 120.400 0.087 0.000 2.578 413 K HA 0.282 4.496 4.320 -0.177 0.000 0.263 413 K C -3.212 173.443 176.600 0.092 0.000 0.973 413 K CA -1.330 54.999 56.287 0.071 0.000 0.909 413 K CB 1.786 34.323 32.500 0.062 0.000 1.326 413 K HN -0.008 nan 8.250 nan 0.000 0.440 414 P HA 0.113 nan 4.420 nan 0.000 0.274 414 P C 0.001 177.330 177.300 0.048 0.000 1.256 414 P CA -0.184 62.976 63.100 0.100 0.000 0.795 414 P CB 0.556 32.282 31.700 0.044 0.000 1.038 415 G N 0.210 109.083 108.800 0.121 0.000 2.491 415 G HA2 0.458 4.311 3.960 -0.177 0.000 0.242 415 G HA3 0.458 4.311 3.960 -0.177 0.000 0.242 415 G C -0.455 174.383 174.900 -0.104 0.000 1.266 415 G CA -0.525 44.606 45.100 0.052 0.000 0.844 415 G HN 0.417 nan 8.290 nan 0.000 0.571 416 I N 1.147 121.522 120.570 -0.325 0.000 2.466 416 I HA 0.143 4.207 4.170 -0.177 0.000 0.289 416 I C -1.180 174.769 176.117 -0.280 0.000 1.026 416 I CA -0.993 60.054 61.300 -0.421 0.000 1.078 416 I CB 2.229 39.760 38.000 -0.782 0.000 1.249 416 I HN 0.471 nan 8.210 nan 0.000 0.429 417 Y N 6.691 126.836 120.300 -0.259 0.000 2.477 417 Y HA 0.336 4.777 4.550 -0.181 0.000 0.349 417 Y C -1.244 174.464 175.900 -0.321 0.000 0.977 417 Y CA -1.863 56.198 58.100 -0.065 0.000 1.214 417 Y CB 0.286 38.780 38.460 0.057 0.000 1.124 417 Y HN 0.430 nan 8.280 nan 0.000 0.521 418 W N 7.761 129.077 121.300 0.027 0.000 2.316 418 W HA 0.530 5.086 4.660 -0.174 0.000 0.311 418 W C -0.624 175.675 176.519 -0.367 0.000 1.217 418 W CA -0.557 56.509 57.345 -0.465 0.000 1.199 418 W CB 1.075 29.936 29.460 -1.000 0.000 1.202 418 W HN 0.473 nan 8.180 nan 0.000 0.528 419 I N 3.880 124.328 120.570 -0.203 0.000 2.498 419 I HA 0.281 4.345 4.170 -0.177 0.000 0.290 419 I C -0.562 175.672 176.117 0.196 0.000 1.032 419 I CA -0.691 60.609 61.300 -0.000 0.000 1.073 419 I CB 1.089 38.983 38.000 -0.176 0.000 1.251 419 I HN 0.293 nan 8.210 nan 0.000 0.426 420 N N 7.620 126.548 118.700 0.379 0.000 2.406 420 N HA 0.241 4.875 4.740 -0.177 0.000 0.251 420 N C -0.155 175.454 175.510 0.166 0.000 1.069 420 N CA 0.022 53.298 53.050 0.376 0.000 0.947 420 N CB 0.805 39.465 38.487 0.289 0.000 1.111 420 N HN 0.686 nan 8.380 nan 0.000 0.497 421 L N 3.493 124.791 121.223 0.125 0.000 2.685 421 L HA 0.206 4.440 4.340 -0.177 0.000 0.233 421 L C 2.089 178.985 176.870 0.043 0.000 1.173 421 L CA -0.112 54.759 54.840 0.050 0.000 0.961 421 L CB -0.029 42.035 42.059 0.009 0.000 1.217 421 L HN 0.502 nan 8.230 nan 0.000 0.478 422 R N 0.772 121.302 120.500 0.050 0.000 2.073 422 R HA -0.127 4.106 4.340 -0.177 0.000 0.234 422 R C 0.221 176.533 176.300 0.021 0.000 1.134 422 R CA 1.369 57.486 56.100 0.028 0.000 0.952 422 R CB 0.278 30.586 30.300 0.014 0.000 0.850 422 R HN 0.167 nan 8.270 nan 0.000 0.433 423 D N -0.498 119.916 120.400 0.024 0.000 2.471 423 D HA 0.105 4.638 4.640 -0.177 0.000 0.245 423 D C 0.798 177.116 176.300 0.031 0.000 1.116 423 D CA -0.332 53.681 54.000 0.023 0.000 0.853 423 D CB 1.396 42.205 40.800 0.016 0.000 1.123 423 D HN -0.054 nan 8.370 nan 0.000 0.540 424 M N 2.562 122.186 119.600 0.040 0.000 2.296 424 M HA -0.064 4.310 4.480 -0.177 0.000 0.265 424 M C 1.424 177.757 176.300 0.055 0.000 1.064 424 M CA 1.091 56.430 55.300 0.065 0.000 1.109 424 M CB -0.404 32.247 32.600 0.086 0.000 1.396 424 M HN 0.406 nan 8.290 nan 0.000 0.430 425 K N -0.104 120.317 120.400 0.034 0.000 2.362 425 K HA 0.023 4.236 4.320 -0.177 0.000 0.200 425 K C 1.577 178.178 176.600 0.001 0.000 1.046 425 K CA 1.061 57.360 56.287 0.021 0.000 0.952 425 K CB -0.080 32.434 32.500 0.025 0.000 0.753 425 K HN 0.252 nan 8.250 nan 0.000 0.466 426 A N 1.162 123.984 122.820 0.003 0.000 2.307 426 A HA 0.059 4.273 4.320 -0.177 0.000 0.218 426 A C 0.468 178.037 177.584 -0.025 0.000 1.228 426 A CA 0.081 52.110 52.037 -0.012 0.000 0.857 426 A CB 0.105 19.105 19.000 0.001 0.000 0.897 426 A HN 0.152 nan 8.150 nan 0.000 0.495 427 N N 1.298 119.988 118.700 -0.016 0.000 2.599 427 N HA 0.180 4.813 4.740 -0.177 0.000 0.309 427 N C -3.069 172.414 175.510 -0.045 0.000 1.743 427 N CA -0.903 52.146 53.050 -0.003 0.000 0.918 427 N CB 0.839 39.362 38.487 0.061 0.000 1.339 427 N HN 0.285 nan 8.380 nan 0.000 0.493 428 P HA 0.021 nan 4.420 nan 0.000 0.266 428 P C 0.724 177.773 177.300 -0.418 0.000 1.195 428 P CA 0.041 62.878 63.100 -0.438 0.000 0.768 428 P CB 1.538 32.583 31.700 -1.092 0.000 0.838 429 K N 1.880 122.170 120.400 -0.183 0.000 2.103 429 K HA -0.154 4.060 4.320 -0.177 0.000 0.207 429 K C 1.768 178.379 176.600 0.018 0.000 1.048 429 K CA 1.779 58.087 56.287 0.036 0.000 0.930 429 K CB -0.639 31.939 32.500 0.130 0.000 0.716 429 K HN 0.552 nan 8.250 nan 0.000 0.444 430 F N -0.693 119.236 119.950 -0.035 0.000 2.641 430 F HA 0.125 4.542 4.527 -0.183 0.000 0.298 430 F C 1.620 177.387 175.800 -0.055 0.000 1.146 430 F CA 0.583 58.521 58.000 -0.103 0.000 1.464 430 F CB -0.773 37.976 39.000 -0.418 0.000 1.101 430 F HN -0.146 nan 8.300 nan 0.000 0.585 431 G N 0.359 109.095 108.800 -0.107 0.000 3.020 431 G HA2 0.168 4.022 3.960 -0.177 0.000 0.217 431 G HA3 0.168 4.022 3.960 -0.177 0.000 0.217 431 G C 1.412 176.312 174.900 -0.000 0.000 1.144 431 G CA 0.037 45.126 45.100 -0.018 0.000 0.760 431 G HN 0.418 nan 8.290 nan 0.000 0.548 432 L N -0.112 121.132 121.223 0.036 0.000 2.156 432 L HA 0.081 4.314 4.340 -0.177 0.000 0.208 432 L C 2.807 179.675 176.870 -0.004 0.000 1.095 432 L CA 0.791 55.696 54.840 0.108 0.000 0.770 432 L CB -0.175 42.041 42.059 0.261 0.000 0.914 432 L HN 0.103 nan 8.230 nan 0.000 0.439 433 K N -0.564 119.691 120.400 -0.240 0.000 2.002 433 K HA -0.185 4.029 4.320 -0.177 0.000 0.209 433 K C 2.206 178.395 176.600 -0.685 0.000 1.048 433 K CA 1.953 57.783 56.287 -0.762 0.000 0.930 433 K CB -0.335 31.729 32.500 -0.726 0.000 0.714 433 K HN 0.111 nan 8.250 nan 0.000 0.438 434 T N 1.230 115.685 114.554 -0.165 0.000 2.821 434 T HA -0.103 4.141 4.350 -0.177 0.000 0.267 434 T C 1.739 176.422 174.700 -0.028 0.000 1.046 434 T CA 0.802 62.910 62.100 0.012 0.000 1.139 434 T CB -0.120 68.812 68.868 0.108 0.000 0.871 434 T HN 0.064 nan 8.240 nan 0.000 0.454 435 L N 0.943 122.138 121.223 -0.047 0.000 2.046 435 L HA -0.018 4.216 4.340 -0.177 0.000 0.208 435 L C 2.562 179.382 176.870 -0.084 0.000 1.077 435 L CA 2.024 56.853 54.840 -0.019 0.000 0.747 435 L CB -1.148 40.944 42.059 0.056 0.000 0.896 435 L HN 0.206 nan 8.230 nan 0.000 0.432 436 T N -1.220 113.267 114.554 -0.111 0.000 2.777 436 T HA -0.160 4.084 4.350 -0.177 0.000 0.266 436 T C 1.685 176.304 174.700 -0.134 0.000 1.040 436 T CA 1.656 63.677 62.100 -0.131 0.000 1.141 436 T CB -0.363 68.569 68.868 0.106 0.000 0.868 436 T HN 0.297 nan 8.240 nan 0.000 0.444 437 Y N 0.829 121.111 120.300 -0.029 0.000 2.242 437 Y HA -0.053 4.432 4.550 -0.107 0.000 0.291 437 Y C 2.567 178.401 175.900 -0.110 0.000 1.137 437 Y CA 0.163 58.218 58.100 -0.074 0.000 1.181 437 Y CB -1.167 37.255 38.460 -0.063 0.000 0.989 437 Y HN 0.384 nan 8.280 nan 0.000 0.527 438 H N 0.743 119.788 119.070 -0.041 0.000 2.321 438 H HA -0.120 4.327 4.556 -0.181 0.000 0.300 438 H C 1.468 176.640 175.328 -0.260 0.000 1.087 438 H CA 1.951 57.908 56.048 -0.152 0.000 1.319 438 H CB 0.361 30.066 29.762 -0.096 0.000 1.379 438 H HN 0.282 nan 8.280 nan 0.000 0.501 439 E N 0.161 120.298 120.200 -0.106 0.000 2.122 439 E HA 0.051 4.295 4.350 -0.177 0.000 0.190 439 E C 1.703 178.200 176.600 -0.172 0.000 0.977 439 E CA 0.727 57.054 56.400 -0.122 0.000 0.820 439 E CB 0.067 29.499 29.700 -0.447 0.000 0.770 439 E HN 0.495 nan 8.360 nan 0.000 0.462 440 A N 1.288 123.994 122.820 -0.190 0.000 3.110 440 A HA 0.250 4.464 4.320 -0.177 0.000 0.206 440 A C 0.332 177.961 177.584 0.075 0.000 2.150 440 A CA -0.154 51.882 52.037 -0.001 0.000 1.708 440 A CB 0.007 19.046 19.000 0.066 0.000 1.207 440 A HN 0.051 nan 8.150 nan 0.000 0.367 441 N N 0.243 118.995 118.700 0.088 0.000 2.321 441 N HA 0.464 5.098 4.740 -0.177 0.000 0.299 441 N C -2.634 172.797 175.510 -0.132 0.000 1.048 441 N CA -1.765 51.270 53.050 -0.025 0.000 0.836 441 N CB 1.643 40.093 38.487 -0.062 0.000 1.269 441 N HN 0.092 nan 8.380 nan 0.000 0.486 442 P HA 0.143 nan 4.420 nan 0.000 0.257 442 P C 0.779 178.062 177.300 -0.029 0.000 1.281 442 P CA 0.085 62.883 63.100 -0.504 0.000 0.826 442 P CB 0.248 31.417 31.700 -0.886 0.000 1.237 443 G N 0.211 109.000 108.800 -0.018 0.000 3.048 443 G HA2 -0.096 3.758 3.960 -0.177 0.000 0.151 443 G HA3 -0.096 3.758 3.960 -0.177 0.000 0.151 443 G C 1.075 176.040 174.900 0.109 0.000 1.803 443 G CA 0.183 45.277 45.100 -0.010 0.000 1.047 443 G HN 0.102 nan 8.290 nan 0.000 0.513 444 H N -0.528 118.475 119.070 -0.112 0.000 2.289 444 H HA -0.138 4.315 4.556 -0.173 0.000 0.296 444 H C 2.271 177.327 175.328 -0.454 0.000 1.091 444 H CA 2.050 57.951 56.048 -0.245 0.000 1.274 444 H CB -0.784 28.747 29.762 -0.385 0.000 1.364 444 H HN 0.634 nan 8.280 nan 0.000 0.490 445 H N -0.019 118.705 119.070 -0.578 0.000 2.290 445 H HA -0.184 4.263 4.556 -0.182 0.000 0.298 445 H C 2.473 177.794 175.328 -0.013 0.000 1.087 445 H CA 2.119 57.927 56.048 -0.401 0.000 1.291 445 H CB -0.558 29.146 29.762 -0.096 0.000 1.369 445 H HN 0.420 nan 8.280 nan 0.000 0.492 446 W N 1.208 122.382 121.300 -0.210 0.000 2.335 446 W HA -0.215 4.371 4.660 -0.123 0.000 0.311 446 W C 2.309 178.664 176.519 -0.273 0.000 1.213 446 W CA 1.880 59.087 57.345 -0.229 0.000 1.274 446 W CB -0.190 29.164 29.460 -0.176 0.000 1.148 446 W HN 0.394 nan 8.180 nan 0.000 0.498 447 Q N 0.738 120.507 119.800 -0.053 0.000 2.046 447 Q HA -0.183 4.051 4.340 -0.177 0.000 0.200 447 Q C 2.235 178.124 176.000 -0.186 0.000 0.975 447 Q CA 1.855 57.507 55.803 -0.253 0.000 0.836 447 Q CB -0.803 27.729 28.738 -0.343 0.000 0.896 447 Q HN 0.388 nan 8.270 nan 0.000 0.428 448 I N 0.877 121.373 120.570 -0.124 0.000 2.202 448 I HA -0.230 3.834 4.170 -0.177 0.000 0.242 448 I C 2.495 178.507 176.117 -0.176 0.000 1.091 448 I CA 1.009 62.263 61.300 -0.077 0.000 1.368 448 I CB -0.405 37.637 38.000 0.069 0.000 1.058 448 I HN 0.184 nan 8.210 nan 0.000 0.410 449 A N 0.766 123.408 122.820 -0.297 0.000 1.940 449 A HA -0.182 4.031 4.320 -0.177 0.000 0.219 449 A C 2.289 179.754 177.584 -0.200 0.000 1.176 449 A CA 1.454 53.307 52.037 -0.307 0.000 0.631 449 A CB -0.876 17.832 19.000 -0.486 0.000 0.814 449 A HN 0.386 nan 8.150 nan 0.000 0.446 450 L N -0.383 120.651 121.223 -0.315 0.000 2.046 450 L HA -0.210 4.024 4.340 -0.177 0.000 0.208 450 L C 2.586 179.346 176.870 -0.184 0.000 1.077 450 L CA 1.471 56.144 54.840 -0.279 0.000 0.747 450 L CB -0.575 41.262 42.059 -0.370 0.000 0.896 450 L HN 0.461 nan 8.230 nan 0.000 0.432 451 N N 0.635 119.227 118.700 -0.179 0.000 2.120 451 N HA -0.174 4.460 4.740 -0.177 0.000 0.188 451 N C 1.872 177.302 175.510 -0.132 0.000 1.024 451 N CA 1.452 54.407 53.050 -0.159 0.000 0.852 451 N CB -0.186 38.207 38.487 -0.156 0.000 1.003 451 N HN 0.246 nan 8.380 nan 0.000 0.424 452 L N 0.242 121.395 121.223 -0.118 0.000 2.131 452 L HA -0.138 4.095 4.340 -0.177 0.000 0.210 452 L C 1.245 178.144 176.870 0.049 0.000 1.092 452 L CA 1.006 55.806 54.840 -0.065 0.000 0.759 452 L CB -0.353 41.618 42.059 -0.147 0.000 0.903 452 L HN 0.075 nan 8.230 nan 0.000 0.435 453 D N -0.663 119.770 120.400 0.056 0.000 2.371 453 D HA -0.067 4.467 4.640 -0.177 0.000 0.221 453 D C 0.754 177.041 176.300 -0.023 0.000 0.986 453 D CA 0.595 54.616 54.000 0.035 0.000 0.899 453 D CB 0.058 40.845 40.800 -0.022 0.000 0.902 453 D HN 0.233 nan 8.370 nan 0.000 0.530 454 Q N 0.374 120.143 119.800 -0.050 0.000 2.664 454 Q HA 0.314 4.547 4.340 -0.177 0.000 0.223 454 Q C 0.760 176.736 176.000 -0.039 0.000 1.298 454 Q CA -0.264 55.502 55.803 -0.061 0.000 0.965 454 Q CB 0.615 29.299 28.738 -0.091 0.000 1.510 454 Q HN 0.061 nan 8.270 nan 0.000 0.567 455 A N 2.271 125.081 122.820 -0.017 0.000 2.119 455 A HA -0.135 4.078 4.320 -0.177 0.000 0.217 455 A C 1.731 179.321 177.584 0.009 0.000 1.153 455 A CA 0.918 52.959 52.037 0.006 0.000 0.692 455 A CB 0.069 19.075 19.000 0.011 0.000 0.799 455 A HN 0.526 nan 8.150 nan 0.000 0.458 456 E N 0.447 120.644 120.200 -0.005 0.000 2.435 456 E HA 0.012 4.256 4.350 -0.177 0.000 0.195 456 E C 0.358 176.960 176.600 0.004 0.000 1.029 456 E CA -0.031 56.371 56.400 0.003 0.000 0.865 456 E CB -0.501 29.196 29.700 -0.005 0.000 0.833 456 E HN 0.561 nan 8.360 nan 0.000 0.510 457 L N 2.910 124.121 121.223 -0.019 0.000 2.439 457 L HA 0.232 4.465 4.340 -0.177 0.000 0.269 457 L C -1.913 174.955 176.870 -0.003 0.000 1.179 457 L CA -2.063 52.755 54.840 -0.036 0.000 0.828 457 L CB 0.022 42.029 42.059 -0.086 0.000 1.106 457 L HN -0.074 nan 8.230 nan 0.000 0.467 458 P HA -0.097 nan 4.420 nan 0.000 0.267 458 P C 0.417 177.741 177.300 0.039 0.000 1.200 458 P CA -0.047 63.086 63.100 0.055 0.000 0.772 458 P CB 0.441 32.147 31.700 0.010 0.000 0.855 459 F N 2.481 122.419 119.950 -0.019 0.000 2.126 459 F HA -0.184 4.238 4.527 -0.176 0.000 0.299 459 F C 1.933 177.697 175.800 -0.060 0.000 1.096 459 F CA 1.598 59.568 58.000 -0.050 0.000 1.255 459 F CB -0.526 38.440 39.000 -0.056 0.000 0.997 459 F HN 0.124 nan 8.300 nan 0.000 0.479 460 L N -0.231 121.002 121.223 0.017 0.000 2.191 460 L HA -0.175 4.059 4.340 -0.177 0.000 0.212 460 L C 2.482 179.256 176.870 -0.160 0.000 1.103 460 L CA 1.045 55.855 54.840 -0.050 0.000 0.769 460 L CB -0.600 41.521 42.059 0.104 0.000 0.908 460 L HN 0.104 nan 8.230 nan 0.000 0.438 461 R N -0.182 120.214 120.500 -0.173 0.000 2.189 461 R HA -0.066 4.167 4.340 -0.177 0.000 0.218 461 R C 2.271 178.435 176.300 -0.225 0.000 1.074 461 R CA 0.660 56.652 56.100 -0.179 0.000 0.991 461 R CB -0.041 30.156 30.300 -0.171 0.000 0.883 461 R HN 0.377 nan 8.270 nan 0.000 0.457 462 R N 0.617 120.927 120.500 -0.317 0.000 2.153 462 R HA 0.005 4.238 4.340 -0.177 0.000 0.218 462 R C 1.861 177.943 176.300 -0.363 0.000 1.072 462 R CA 0.994 56.894 56.100 -0.333 0.000 0.990 462 R CB 0.013 30.088 30.300 -0.375 0.000 0.889 462 R HN 0.295 nan 8.270 nan 0.000 0.452 463 I N -2.970 117.321 120.570 -0.464 0.000 3.927 463 I HA 0.393 4.456 4.170 -0.177 0.000 0.332 463 I C 0.138 176.178 176.117 -0.127 0.000 1.485 463 I CA -0.663 60.441 61.300 -0.326 0.000 1.131 463 I CB 0.637 38.270 38.000 -0.613 0.000 1.092 463 I HN -0.217 nan 8.210 nan 0.000 0.410 464 A N 3.790 126.528 122.820 -0.137 0.000 2.545 464 A HA 0.299 4.513 4.320 -0.177 0.000 0.253 464 A C -2.014 175.497 177.584 -0.121 0.000 1.074 464 A CA -0.660 51.293 52.037 -0.140 0.000 0.760 464 A CB -0.560 18.380 19.000 -0.101 0.000 1.005 464 A HN 0.346 nan 8.150 nan 0.000 0.506 465 P HA 0.177 nan 4.420 nan 0.000 0.206 465 P C -1.041 176.071 177.300 -0.314 0.000 1.854 465 P CA -0.186 62.880 63.100 -0.057 0.000 0.969 465 P CB -0.481 31.298 31.700 0.132 0.000 1.843 466 Y N 1.151 121.316 120.300 -0.225 0.000 2.697 466 Y HA -0.045 4.398 4.550 -0.178 0.000 0.349 466 Y C 2.078 177.935 175.900 -0.071 0.000 1.120 466 Y CA 0.157 58.105 58.100 -0.254 0.000 1.468 466 Y CB -0.073 38.263 38.460 -0.207 0.000 1.182 466 Y HN 0.128 nan 8.280 nan 0.000 0.525 467 N N 3.008 121.700 118.700 -0.013 0.000 2.084 467 N HA -0.234 4.400 4.740 -0.177 0.000 0.190 467 N C 1.935 177.474 175.510 0.048 0.000 1.030 467 N CA 1.689 54.756 53.050 0.028 0.000 0.849 467 N CB 0.008 38.456 38.487 -0.065 0.000 1.012 467 N HN 0.695 nan 8.380 nan 0.000 0.423 468 A N -0.675 122.176 122.820 0.053 0.000 1.873 468 A HA -0.143 4.070 4.320 -0.177 0.000 0.215 468 A C 2.198 179.840 177.584 0.098 0.000 1.186 468 A CA 1.375 53.439 52.037 0.045 0.000 0.616 468 A CB -1.311 17.710 19.000 0.036 0.000 0.823 468 A HN 0.590 nan 8.150 nan 0.000 0.442 469 Y N 1.127 121.452 120.300 0.041 0.000 2.097 469 Y HA -0.243 4.202 4.550 -0.175 0.000 0.282 469 Y C 2.716 178.709 175.900 0.156 0.000 1.152 469 Y CA 2.635 60.777 58.100 0.070 0.000 1.136 469 Y CB -0.520 37.950 38.460 0.017 0.000 0.975 469 Y HN 0.313 nan 8.280 nan 0.000 0.498 470 T N 0.355 115.143 114.554 0.389 0.000 2.770 470 T HA -0.124 4.120 4.350 -0.177 0.000 0.263 470 T C 1.582 176.461 174.700 0.299 0.000 1.039 470 T CA 1.517 63.848 62.100 0.384 0.000 1.142 470 T CB -0.143 68.928 68.868 0.338 0.000 0.868 470 T HN 0.344 nan 8.240 nan 0.000 0.435 471 E N 0.911 121.198 120.200 0.145 0.000 2.076 471 E HA 0.030 4.274 4.350 -0.177 0.000 0.190 471 E C 2.593 179.212 176.600 0.032 0.000 0.979 471 E CA 0.948 57.351 56.400 0.004 0.000 0.807 471 E CB -0.846 28.485 29.700 -0.615 0.000 0.761 471 E HN 0.536 nan 8.360 nan 0.000 0.454 472 G N 1.252 110.065 108.800 0.022 0.000 2.422 472 G HA2 -0.258 3.595 3.960 -0.177 0.000 0.218 472 G HA3 -0.258 3.595 3.960 -0.177 0.000 0.218 472 G C 1.364 176.270 174.900 0.010 0.000 1.146 472 G CA 0.638 45.761 45.100 0.038 0.000 0.769 472 G HN 0.328 nan 8.290 nan 0.000 0.547 473 W N 1.755 122.977 121.300 -0.131 0.000 2.355 473 W HA -0.076 4.475 4.660 -0.182 0.000 0.309 473 W C 2.455 178.967 176.519 -0.013 0.000 1.206 473 W CA 1.998 59.273 57.345 -0.118 0.000 1.284 473 W CB -0.389 28.902 29.460 -0.283 0.000 1.145 473 W HN 0.313 nan 8.180 nan 0.000 0.502 474 A N 0.757 123.436 122.820 -0.235 0.000 1.898 474 A HA -0.196 4.018 4.320 -0.177 0.000 0.216 474 A C 1.960 179.353 177.584 -0.319 0.000 1.181 474 A CA 1.648 53.390 52.037 -0.491 0.000 0.620 474 A CB -1.185 17.186 19.000 -1.048 0.000 0.819 474 A HN 0.322 nan 8.150 nan 0.000 0.442 475 L N -1.449 119.738 121.223 -0.060 0.000 2.046 475 L HA -0.158 4.076 4.340 -0.177 0.000 0.208 475 L C 2.326 179.179 176.870 -0.029 0.000 1.077 475 L CA 2.354 57.243 54.840 0.082 0.000 0.747 475 L CB -0.945 41.240 42.059 0.210 0.000 0.896 475 L HN 0.564 nan 8.230 nan 0.000 0.432 476 Y N 0.033 120.190 120.300 -0.238 0.000 2.114 476 Y HA -0.339 4.114 4.550 -0.162 0.000 0.282 476 Y C 2.861 178.534 175.900 -0.378 0.000 1.165 476 Y CA 2.201 60.124 58.100 -0.295 0.000 1.148 476 Y CB -0.736 37.506 38.460 -0.363 0.000 0.972 476 Y HN 0.439 nan 8.280 nan 0.000 0.504 477 S N -0.433 114.832 115.700 -0.725 0.000 2.419 477 S HA -0.227 4.137 4.470 -0.177 0.000 0.233 477 S C 1.722 176.109 174.600 -0.356 0.000 1.016 477 S CA 1.467 59.261 58.200 -0.676 0.000 0.974 477 S CB -0.621 62.179 63.200 -0.667 0.000 0.786 477 S HN 0.724 nan 8.310 nan 0.000 0.492 478 E N 0.675 120.759 120.200 -0.194 0.000 2.150 478 E HA -0.167 4.077 4.350 -0.177 0.000 0.193 478 E C 2.278 178.876 176.600 -0.002 0.000 0.985 478 E CA 1.186 57.591 56.400 0.008 0.000 0.814 478 E CB -0.146 29.605 29.700 0.085 0.000 0.752 478 E HN 0.796 nan 8.360 nan 0.000 0.466 479 Q N 0.534 120.253 119.800 -0.134 0.000 2.123 479 Q HA -0.089 4.145 4.340 -0.177 0.000 0.196 479 Q C 2.184 178.121 176.000 -0.104 0.000 0.958 479 Q CA 0.728 56.476 55.803 -0.092 0.000 0.841 479 Q CB 0.310 28.973 28.738 -0.125 0.000 0.915 479 Q HN 0.100 nan 8.270 nan 0.000 0.455 480 V N 1.525 121.242 119.914 -0.327 0.000 2.380 480 V HA -0.305 3.709 4.120 -0.177 0.000 0.251 480 V C 2.403 178.426 176.094 -0.119 0.000 1.063 480 V CA 1.837 63.998 62.300 -0.230 0.000 1.055 480 V CB -1.100 30.546 31.823 -0.294 0.000 0.657 480 V HN 0.516 nan 8.190 nan 0.000 0.455 481 A N -0.924 121.799 122.820 -0.162 0.000 1.933 481 A HA -0.260 3.953 4.320 -0.177 0.000 0.218 481 A C 2.143 179.680 177.584 -0.079 0.000 1.175 481 A CA 2.004 53.882 52.037 -0.265 0.000 0.628 481 A CB -0.728 17.944 19.000 -0.546 0.000 0.814 481 A HN 0.650 nan 8.150 nan 0.000 0.444 482 Y N 0.972 121.307 120.300 0.058 0.000 2.145 482 Y HA -0.208 4.245 4.550 -0.160 0.000 0.286 482 Y C 2.146 178.070 175.900 0.040 0.000 1.145 482 Y CA 2.315 60.516 58.100 0.167 0.000 1.148 482 Y CB -0.315 38.214 38.460 0.114 0.000 0.981 482 Y HN 0.459 nan 8.280 nan 0.000 0.507 483 E N 0.056 120.271 120.200 0.026 0.000 2.333 483 E HA -0.156 4.087 4.350 -0.177 0.000 0.198 483 E C 1.775 178.310 176.600 -0.108 0.000 1.007 483 E CA 0.979 57.354 56.400 -0.041 0.000 0.845 483 E CB -0.174 29.550 29.700 0.040 0.000 0.766 483 E HN 0.528 nan 8.360 nan 0.000 0.507 484 L N -0.754 120.395 121.223 -0.124 0.000 2.567 484 L HA 0.153 4.387 4.340 -0.177 0.000 0.225 484 L C 1.279 178.052 176.870 -0.161 0.000 1.119 484 L CA 0.330 55.098 54.840 -0.120 0.000 0.871 484 L CB 0.360 42.351 42.059 -0.114 0.000 1.036 484 L HN 0.290 nan 8.230 nan 0.000 0.459 485 G N -1.083 107.577 108.800 -0.233 0.000 2.144 485 G HA2 -0.256 3.598 3.960 -0.177 0.000 0.218 485 G HA3 -0.256 3.598 3.960 -0.177 0.000 0.218 485 G C 0.775 175.549 174.900 -0.210 0.000 0.988 485 G CA 0.082 45.048 45.100 -0.224 0.000 0.659 485 G HN 0.041 nan 8.290 nan 0.000 0.522 486 M N -0.582 118.856 119.600 -0.270 0.000 2.460 486 M HA 0.193 4.567 4.480 -0.177 0.000 0.263 486 M C 1.266 177.281 176.300 -0.475 0.000 1.071 486 M CA 0.760 55.837 55.300 -0.372 0.000 1.096 486 M CB -0.761 31.521 32.600 -0.529 0.000 1.408 486 M HN 0.412 nan 8.290 nan 0.000 0.463 487 Y N -0.105 120.171 120.300 -0.040 0.000 2.681 487 Y HA 0.290 4.786 4.550 -0.091 0.000 0.267 487 Y C 0.616 176.510 175.900 -0.009 0.000 1.166 487 Y CA -0.982 57.134 58.100 0.027 0.000 1.209 487 Y CB -0.363 38.187 38.460 0.150 0.000 1.161 487 Y HN 0.218 nan 8.280 nan 0.000 0.534 488 E N 1.726 121.933 120.200 0.011 0.000 2.585 488 E HA -0.123 4.120 4.350 -0.177 0.000 0.252 488 E C -0.043 176.589 176.600 0.053 0.000 0.981 488 E CA 0.423 56.828 56.400 0.008 0.000 0.943 488 E CB -0.101 29.584 29.700 -0.025 0.000 0.923 488 E HN 0.619 nan 8.360 nan 0.000 0.486 489 N N 3.419 122.155 118.700 0.060 0.000 2.721 489 N HA -0.245 4.389 4.740 -0.177 0.000 0.249 489 N C -1.139 174.437 175.510 0.111 0.000 1.072 489 N CA 0.798 53.892 53.050 0.073 0.000 0.710 489 N CB -0.405 38.119 38.487 0.061 0.000 0.993 489 N HN 0.438 nan 8.380 nan 0.000 0.547 490 D N -1.137 119.346 120.400 0.139 0.000 2.621 490 D HA 0.168 4.702 4.640 -0.177 0.000 0.274 490 D C -1.777 174.618 176.300 0.159 0.000 1.215 490 D CA -1.913 52.206 54.000 0.199 0.000 0.810 490 D CB 0.889 41.837 40.800 0.248 0.000 1.248 490 D HN -0.013 nan 8.370 nan 0.000 0.517 491 P HA -0.062 nan 4.420 nan 0.000 0.219 491 P C 1.385 178.513 177.300 -0.287 0.000 1.150 491 P CA 0.562 63.548 63.100 -0.189 0.000 0.814 491 P CB 0.140 31.606 31.700 -0.389 0.000 0.787 492 F N 0.739 120.701 119.950 0.020 0.000 2.206 492 F HA 0.098 4.517 4.527 -0.181 0.000 0.298 492 F C 2.739 178.503 175.800 -0.061 0.000 1.090 492 F CA 1.461 59.399 58.000 -0.104 0.000 1.323 492 F CB -1.678 37.282 39.000 -0.068 0.000 1.028 492 F HN -0.053 nan 8.300 nan 0.000 0.492 493 G N -0.523 108.433 108.800 0.259 0.000 2.442 493 G HA2 -0.317 3.537 3.960 -0.177 0.000 0.219 493 G HA3 -0.317 3.537 3.960 -0.177 0.000 0.219 493 G C 1.353 176.213 174.900 -0.066 0.000 1.141 493 G CA 1.280 46.540 45.100 0.267 0.000 0.763 493 G HN 0.310 nan 8.290 nan 0.000 0.554 494 D N 0.460 120.731 120.400 -0.215 0.000 2.117 494 D HA -0.070 4.464 4.640 -0.177 0.000 0.197 494 D C 2.608 178.689 176.300 -0.364 0.000 0.987 494 D CA 0.602 54.283 54.000 -0.531 0.000 0.829 494 D CB -0.304 40.350 40.800 -0.244 0.000 0.961 494 D HN 0.308 nan 8.370 nan 0.000 0.460 495 L N -0.062 121.009 121.223 -0.253 0.000 2.042 495 L HA -0.093 4.141 4.340 -0.177 0.000 0.210 495 L C 2.625 179.392 176.870 -0.172 0.000 1.076 495 L CA 1.479 56.178 54.840 -0.235 0.000 0.749 495 L CB -0.842 41.048 42.059 -0.281 0.000 0.893 495 L HN 0.170 nan 8.230 nan 0.000 0.432 496 G N -0.355 108.396 108.800 -0.081 0.000 2.446 496 G HA2 -0.328 3.525 3.960 -0.177 0.000 0.217 496 G HA3 -0.328 3.525 3.960 -0.177 0.000 0.217 496 G C 1.690 176.570 174.900 -0.034 0.000 1.168 496 G CA 0.948 46.077 45.100 0.049 0.000 0.771 496 G HN 0.298 nan 8.290 nan 0.000 0.551 497 R N 0.036 120.454 120.500 -0.137 0.000 2.094 497 R HA -0.049 4.184 4.340 -0.177 0.000 0.239 497 R C 2.596 178.827 176.300 -0.115 0.000 1.137 497 R CA 1.626 57.639 56.100 -0.143 0.000 0.943 497 R CB -0.469 29.638 30.300 -0.321 0.000 0.850 497 R HN 0.411 nan 8.270 nan 0.000 0.433 498 L N 0.518 121.641 121.223 -0.166 0.000 2.093 498 L HA -0.171 4.062 4.340 -0.177 0.000 0.208 498 L C 2.912 179.746 176.870 -0.061 0.000 1.085 498 L CA 1.524 56.286 54.840 -0.129 0.000 0.755 498 L CB -0.482 41.474 42.059 -0.170 0.000 0.904 498 L HN 0.430 nan 8.230 nan 0.000 0.435 499 Q N 0.209 119.979 119.800 -0.050 0.000 2.124 499 Q HA -0.229 4.004 4.340 -0.177 0.000 0.202 499 Q C 2.254 178.286 176.000 0.053 0.000 0.977 499 Q CA 1.773 57.578 55.803 0.004 0.000 0.850 499 Q CB -0.054 28.687 28.738 0.005 0.000 0.901 499 Q HN 0.509 nan 8.270 nan 0.000 0.429 500 A N 0.709 123.541 122.820 0.020 0.000 1.930 500 A HA -0.208 4.006 4.320 -0.177 0.000 0.217 500 A C 1.907 179.548 177.584 0.095 0.000 1.175 500 A CA 1.468 53.523 52.037 0.030 0.000 0.627 500 A CB -0.600 18.388 19.000 -0.019 0.000 0.815 500 A HN 0.611 nan 8.150 nan 0.000 0.443 501 E N -0.505 119.730 120.200 0.059 0.000 2.051 501 E HA -0.200 4.044 4.350 -0.177 0.000 0.192 501 E C 1.933 178.582 176.600 0.082 0.000 0.991 501 E CA 1.339 57.779 56.400 0.066 0.000 0.799 501 E CB -0.194 29.516 29.700 0.016 0.000 0.748 501 E HN 0.442 nan 8.360 nan 0.000 0.449 502 L N 0.509 121.773 121.223 0.069 0.000 2.042 502 L HA -0.171 4.063 4.340 -0.177 0.000 0.210 502 L C 2.113 179.052 176.870 0.115 0.000 1.076 502 L CA 1.718 56.599 54.840 0.069 0.000 0.749 502 L CB -0.777 41.310 42.059 0.047 0.000 0.893 502 L HN 0.212 nan 8.230 nan 0.000 0.432 503 F N 0.357 120.313 119.950 0.010 0.000 2.126 503 F HA -0.230 4.191 4.527 -0.176 0.000 0.299 503 F C 2.507 178.320 175.800 0.020 0.000 1.096 503 F CA 1.746 59.761 58.000 0.025 0.000 1.255 503 F CB -0.146 38.862 39.000 0.012 0.000 0.997 503 F HN 0.037 nan 8.300 nan 0.000 0.479 504 R N -0.155 120.444 120.500 0.165 0.000 2.148 504 R HA -0.028 4.206 4.340 -0.177 0.000 0.223 504 R C 2.412 178.733 176.300 0.034 0.000 1.088 504 R CA 0.962 57.103 56.100 0.068 0.000 0.985 504 R CB -0.676 29.709 30.300 0.142 0.000 0.880 504 R HN 0.348 nan 8.270 nan 0.000 0.451 505 A N 0.493 123.337 122.820 0.039 0.000 1.902 505 A HA -0.110 4.103 4.320 -0.177 0.000 0.217 505 A C 2.262 179.844 177.584 -0.003 0.000 1.181 505 A CA 1.355 53.405 52.037 0.022 0.000 0.623 505 A CB -0.544 18.474 19.000 0.030 0.000 0.818 505 A HN 0.118 nan 8.150 nan 0.000 0.443 506 V N 0.011 119.919 119.914 -0.011 0.000 2.407 506 V HA -0.272 3.742 4.120 -0.177 0.000 0.248 506 V C 2.598 178.652 176.094 -0.066 0.000 1.055 506 V CA 2.160 64.478 62.300 0.031 0.000 1.049 506 V CB -0.841 30.972 31.823 -0.016 0.000 0.662 506 V HN 0.522 nan 8.190 nan 0.000 0.455 507 R N -0.358 120.032 120.500 -0.182 0.000 2.103 507 R HA -0.177 4.057 4.340 -0.177 0.000 0.242 507 R C 2.274 178.470 176.300 -0.174 0.000 1.142 507 R CA 1.625 57.564 56.100 -0.268 0.000 0.960 507 R CB -0.485 29.640 30.300 -0.291 0.000 0.858 507 R HN 0.435 nan 8.270 nan 0.000 0.439 508 L N 0.064 121.235 121.223 -0.087 0.000 2.042 508 L HA -0.200 4.033 4.340 -0.177 0.000 0.210 508 L C 2.386 179.187 176.870 -0.117 0.000 1.076 508 L CA 1.147 55.952 54.840 -0.058 0.000 0.749 508 L CB -0.530 41.508 42.059 -0.035 0.000 0.893 508 L HN 0.071 nan 8.230 nan 0.000 0.432 509 V N -0.194 119.605 119.914 -0.192 0.000 2.270 509 V HA -0.212 3.802 4.120 -0.177 0.000 0.245 509 V C 2.466 178.329 176.094 -0.384 0.000 1.043 509 V CA 1.786 63.843 62.300 -0.404 0.000 1.014 509 V CB -0.419 31.140 31.823 -0.441 0.000 0.645 509 V HN 0.436 nan 8.190 nan 0.000 0.447 510 V N -1.128 118.651 119.914 -0.226 0.000 2.548 510 V HA -0.175 3.838 4.120 -0.177 0.000 0.249 510 V C 2.019 178.031 176.094 -0.136 0.000 1.055 510 V CA 2.382 64.592 62.300 -0.150 0.000 1.065 510 V CB -0.779 31.133 31.823 0.149 0.000 0.681 510 V HN 0.562 nan 8.190 nan 0.000 0.462 511 D N 1.696 122.033 120.400 -0.105 0.000 2.097 511 D HA -0.186 4.348 4.640 -0.177 0.000 0.197 511 D C 2.337 178.676 176.300 0.065 0.000 0.984 511 D CA 2.158 56.182 54.000 0.040 0.000 0.826 511 D CB -0.188 40.658 40.800 0.077 0.000 0.973 511 D HN 0.672 nan 8.370 nan 0.000 0.460 512 T N -2.543 112.042 114.554 0.051 0.000 2.833 512 T HA -0.042 4.202 4.350 -0.177 0.000 0.269 512 T C 2.121 176.630 174.700 -0.318 0.000 1.054 512 T CA 1.220 63.337 62.100 0.028 0.000 1.135 512 T CB -1.060 67.883 68.868 0.125 0.000 0.869 512 T HN 0.141 nan 8.240 nan 0.000 0.466 513 G N 1.968 110.410 108.800 -0.598 0.000 2.480 513 G HA2 -0.096 3.758 3.960 -0.177 0.000 0.216 513 G HA3 -0.096 3.758 3.960 -0.177 0.000 0.216 513 G C 1.518 176.002 174.900 -0.694 0.000 1.200 513 G CA 0.974 45.269 45.100 -1.342 0.000 0.782 513 G HN 0.525 nan 8.290 nan 0.000 0.554 514 L N -0.641 120.351 121.223 -0.385 0.000 2.046 514 L HA -0.043 4.191 4.340 -0.177 0.000 0.208 514 L C 2.707 179.423 176.870 -0.256 0.000 1.077 514 L CA 1.124 55.811 54.840 -0.256 0.000 0.747 514 L CB -0.361 41.447 42.059 -0.418 0.000 0.896 514 L HN 0.230 nan 8.230 nan 0.000 0.432 515 H N -2.170 116.788 119.070 -0.185 0.000 2.547 515 H HA 0.011 4.460 4.556 -0.178 0.000 0.272 515 H C 1.238 176.397 175.328 -0.281 0.000 0.971 515 H CA 1.265 57.108 56.048 -0.341 0.000 1.245 515 H CB 0.568 29.686 29.762 -1.073 0.000 1.440 515 H HN 0.395 nan 8.280 nan 0.000 0.540 516 D N -0.551 119.730 120.400 -0.199 0.000 2.602 516 D HA -0.008 4.526 4.640 -0.177 0.000 0.284 516 D C 1.627 177.762 176.300 -0.274 0.000 1.065 516 D CA 0.096 54.011 54.000 -0.141 0.000 0.923 516 D CB 0.568 41.351 40.800 -0.028 0.000 1.373 516 D HN -0.155 nan 8.370 nan 0.000 0.492 517 K N 0.846 121.026 120.400 -0.368 0.000 2.459 517 K HA 0.150 4.363 4.320 -0.177 0.000 0.193 517 K C 0.118 176.556 176.600 -0.271 0.000 1.030 517 K CA 0.186 56.259 56.287 -0.357 0.000 1.026 517 K CB 0.170 32.360 32.500 -0.517 0.000 0.809 517 K HN 0.234 nan 8.250 nan 0.000 0.504 518 R N -0.402 119.887 120.500 -0.351 0.000 3.656 518 R HA -0.125 4.109 4.340 -0.177 0.000 0.297 518 R C -0.895 175.473 176.300 0.113 0.000 1.166 518 R CA 0.342 56.236 56.100 -0.343 0.000 0.799 518 R CB -2.354 27.413 30.300 -0.889 0.000 1.285 518 R HN 0.098 nan 8.270 nan 0.000 0.477 519 W N 2.157 123.399 121.300 -0.098 0.000 2.223 519 W HA 0.080 4.633 4.660 -0.178 0.000 0.334 519 W C 1.616 178.144 176.519 0.015 0.000 1.334 519 W CA 0.199 57.518 57.345 -0.044 0.000 1.246 519 W CB -0.084 29.349 29.460 -0.046 0.000 1.184 519 W HN 0.117 nan 8.180 nan 0.000 0.563 520 T N -0.156 114.526 114.554 0.213 0.000 2.802 520 T HA 0.124 4.367 4.350 -0.177 0.000 0.305 520 T C 1.462 176.245 174.700 0.140 0.000 1.053 520 T CA -0.400 61.788 62.100 0.147 0.000 1.058 520 T CB 1.006 69.920 68.868 0.076 0.000 0.988 520 T HN 0.557 nan 8.240 nan 0.000 0.539 521 R N 0.546 121.100 120.500 0.090 0.000 2.096 521 R HA -0.193 4.041 4.340 -0.177 0.000 0.240 521 R C 1.991 178.334 176.300 0.070 0.000 1.139 521 R CA 2.227 58.368 56.100 0.070 0.000 0.952 521 R CB -0.434 29.883 30.300 0.029 0.000 0.854 521 R HN 0.806 nan 8.270 nan 0.000 0.436 522 E N 0.436 120.664 120.200 0.046 0.000 2.106 522 E HA -0.163 4.081 4.350 -0.177 0.000 0.192 522 E C 2.118 178.733 176.600 0.024 0.000 0.984 522 E CA 1.369 57.786 56.400 0.028 0.000 0.806 522 E CB -0.071 29.635 29.700 0.009 0.000 0.750 522 E HN 0.484 nan 8.360 nan 0.000 0.458 523 Q N -0.047 119.757 119.800 0.007 0.000 2.084 523 Q HA -0.087 4.147 4.340 -0.177 0.000 0.202 523 Q C 2.187 178.209 176.000 0.037 0.000 0.978 523 Q CA 1.434 57.191 55.803 -0.076 0.000 0.844 523 Q CB -0.203 28.392 28.738 -0.237 0.000 0.898 523 Q HN 0.318 nan 8.270 nan 0.000 0.426 524 A N 0.783 123.734 122.820 0.217 0.000 1.898 524 A HA -0.155 4.059 4.320 -0.177 0.000 0.216 524 A C 2.029 179.771 177.584 0.262 0.000 1.181 524 A CA 1.025 53.283 52.037 0.368 0.000 0.620 524 A CB -0.571 18.633 19.000 0.340 0.000 0.819 524 A HN 0.295 nan 8.150 nan 0.000 0.442 525 I N -0.347 120.315 120.570 0.155 0.000 2.163 525 I HA -0.245 3.819 4.170 -0.177 0.000 0.243 525 I C 2.730 178.908 176.117 0.102 0.000 1.085 525 I CA 1.496 62.862 61.300 0.109 0.000 1.347 525 I CB -0.281 37.755 38.000 0.060 0.000 1.044 525 I HN 0.234 nan 8.210 nan 0.000 0.408 526 S N -0.239 115.510 115.700 0.082 0.000 2.356 526 S HA -0.239 4.124 4.470 -0.177 0.000 0.223 526 S C 1.946 176.588 174.600 0.071 0.000 1.032 526 S CA 1.346 59.575 58.200 0.049 0.000 1.005 526 S CB -0.457 62.749 63.200 0.010 0.000 0.867 526 S HN 0.417 nan 8.310 nan 0.000 0.449 527 Y N 1.775 122.079 120.300 0.007 0.000 2.097 527 Y HA -0.215 4.229 4.550 -0.177 0.000 0.282 527 Y C 2.495 178.438 175.900 0.071 0.000 1.152 527 Y CA 2.173 60.302 58.100 0.048 0.000 1.136 527 Y CB -0.403 38.142 38.460 0.143 0.000 0.975 527 Y HN 0.228 nan 8.280 nan 0.000 0.498 528 M N -0.967 118.756 119.600 0.205 0.000 2.117 528 M HA -0.228 4.145 4.480 -0.177 0.000 0.262 528 M C 2.213 178.520 176.300 0.013 0.000 1.065 528 M CA 2.293 57.650 55.300 0.095 0.000 1.114 528 M CB -0.242 32.442 32.600 0.140 0.000 1.361 528 M HN 0.222 nan 8.290 nan 0.000 0.408 529 S N 0.590 116.309 115.700 0.033 0.000 2.383 529 S HA -0.177 4.187 4.470 -0.177 0.000 0.229 529 S C 1.608 176.191 174.600 -0.029 0.000 1.030 529 S CA 1.800 60.012 58.200 0.020 0.000 1.002 529 S CB -0.360 62.855 63.200 0.026 0.000 0.829 529 S HN 0.593 nan 8.310 nan 0.000 0.467 530 E N 0.449 120.597 120.200 -0.086 0.000 2.112 530 E HA -0.042 4.202 4.350 -0.177 0.000 0.190 530 E C 2.217 178.724 176.600 -0.154 0.000 0.979 530 E CA 0.686 57.017 56.400 -0.114 0.000 0.814 530 E CB 0.027 29.646 29.700 -0.135 0.000 0.762 530 E HN 0.310 nan 8.360 nan 0.000 0.460 531 Q N 0.024 119.670 119.800 -0.258 0.000 2.389 531 Q HA 0.016 4.250 4.340 -0.177 0.000 0.204 531 Q C 0.955 176.895 176.000 -0.100 0.000 0.944 531 Q CA 0.864 56.518 55.803 -0.249 0.000 0.908 531 Q CB 0.615 29.071 28.738 -0.471 0.000 1.002 531 Q HN 0.309 nan 8.270 nan 0.000 0.493 532 T N -4.482 110.051 114.554 -0.034 0.000 2.907 532 T HA 0.639 4.883 4.350 -0.177 0.000 0.290 532 T C 0.605 175.336 174.700 0.051 0.000 1.066 532 T CA -0.527 61.607 62.100 0.055 0.000 1.012 532 T CB 1.820 70.801 68.868 0.189 0.000 1.184 532 T HN 0.005 nan 8.240 nan 0.000 0.522 533 G N 0.759 109.599 108.800 0.067 0.000 3.820 533 G HA2 0.396 4.250 3.960 -0.177 0.000 0.293 533 G HA3 0.396 4.250 3.960 -0.177 0.000 0.293 533 G C 0.163 175.109 174.900 0.077 0.000 1.152 533 G CA -0.494 44.639 45.100 0.055 0.000 0.921 533 G HN 0.807 nan 8.290 nan 0.000 0.544 534 T N 1.639 116.259 114.554 0.110 0.000 2.919 534 T HA 0.489 4.732 4.350 -0.177 0.000 0.302 534 T C 0.852 175.602 174.700 0.083 0.000 1.031 534 T CA -0.022 62.144 62.100 0.111 0.000 1.127 534 T CB 1.569 70.571 68.868 0.223 0.000 0.952 534 T HN 0.402 nan 8.240 nan 0.000 0.540 535 A N 2.123 124.977 122.820 0.058 0.000 2.445 535 A HA 0.186 4.399 4.320 -0.177 0.000 0.242 535 A C 1.496 179.108 177.584 0.047 0.000 1.075 535 A CA -0.392 51.672 52.037 0.045 0.000 0.777 535 A CB -0.060 18.958 19.000 0.030 0.000 1.013 535 A HN 1.060 nan 8.150 nan 0.000 0.493 536 E N 1.631 121.853 120.200 0.037 0.000 2.038 536 E HA -0.230 4.013 4.350 -0.177 0.000 0.195 536 E C 2.107 178.722 176.600 0.026 0.000 1.000 536 E CA 2.175 58.595 56.400 0.033 0.000 0.803 536 E CB -0.141 29.573 29.700 0.023 0.000 0.750 536 E HN 0.901 nan 8.360 nan 0.000 0.448 537 S N 0.558 116.268 115.700 0.017 0.000 2.383 537 S HA -0.225 4.139 4.470 -0.177 0.000 0.229 537 S C 1.579 176.183 174.600 0.006 0.000 1.030 537 S CA 1.550 59.754 58.200 0.006 0.000 1.002 537 S CB -0.387 62.814 63.200 0.001 0.000 0.829 537 S HN 0.291 nan 8.310 nan 0.000 0.467 538 D N 1.411 121.822 120.400 0.019 0.000 2.117 538 D HA -0.001 4.533 4.640 -0.177 0.000 0.198 538 D C 2.204 178.538 176.300 0.058 0.000 0.982 538 D CA 1.070 55.087 54.000 0.028 0.000 0.828 538 D CB -0.473 40.343 40.800 0.028 0.000 0.967 538 D HN 0.357 nan 8.370 nan 0.000 0.464 539 V N 1.111 121.073 119.914 0.081 0.000 2.332 539 V HA -0.210 3.804 4.120 -0.177 0.000 0.248 539 V C 2.722 178.824 176.094 0.013 0.000 1.055 539 V CA 1.032 63.387 62.300 0.091 0.000 1.038 539 V CB -0.488 31.392 31.823 0.096 0.000 0.651 539 V HN 0.044 nan 8.190 nan 0.000 0.450 540 V N 0.244 120.158 119.914 0.001 0.000 2.295 540 V HA -0.275 3.739 4.120 -0.177 0.000 0.246 540 V C 2.719 178.770 176.094 -0.072 0.000 1.049 540 V CA 2.122 64.405 62.300 -0.028 0.000 1.024 540 V CB -1.102 30.710 31.823 -0.018 0.000 0.648 540 V HN 0.570 nan 8.190 nan 0.000 0.447 541 A N -0.629 122.150 122.820 -0.070 0.000 1.902 541 A HA -0.213 4.001 4.320 -0.177 0.000 0.217 541 A C 2.205 179.676 177.584 -0.188 0.000 1.181 541 A CA 1.726 53.700 52.037 -0.107 0.000 0.623 541 A CB -0.412 18.544 19.000 -0.073 0.000 0.818 541 A HN 0.555 nan 8.150 nan 0.000 0.443 542 E N -0.027 120.061 120.200 -0.187 0.000 2.031 542 E HA -0.159 4.085 4.350 -0.177 0.000 0.193 542 E C 2.082 178.133 176.600 -0.916 0.000 0.994 542 E CA 1.109 57.246 56.400 -0.439 0.000 0.800 542 E CB -0.441 29.159 29.700 -0.166 0.000 0.752 542 E HN 0.539 nan 8.360 nan 0.000 0.447 543 I N 1.592 121.864 120.570 -0.497 0.000 2.194 543 I HA -0.250 3.814 4.170 -0.177 0.000 0.246 543 I C 2.153 178.136 176.117 -0.223 0.000 1.093 543 I CA 1.381 62.497 61.300 -0.306 0.000 1.355 543 I CB -1.153 36.816 38.000 -0.052 0.000 1.046 543 I HN 0.176 nan 8.210 nan 0.000 0.413 544 E N 0.095 120.174 120.200 -0.202 0.000 2.150 544 E HA -0.209 4.035 4.350 -0.177 0.000 0.193 544 E C 2.294 178.785 176.600 -0.182 0.000 0.985 544 E CA 0.593 56.905 56.400 -0.145 0.000 0.814 544 E CB -0.120 29.506 29.700 -0.124 0.000 0.752 544 E HN 0.410 nan 8.360 nan 0.000 0.466 545 R N 0.432 120.749 120.500 -0.306 0.000 2.073 545 R HA -0.192 4.042 4.340 -0.177 0.000 0.234 545 R C 1.844 178.106 176.300 -0.064 0.000 1.134 545 R CA 1.547 57.420 56.100 -0.377 0.000 0.952 545 R CB -0.249 29.807 30.300 -0.406 0.000 0.850 545 R HN 0.165 nan 8.270 nan 0.000 0.433 546 Y N 0.647 121.002 120.300 0.093 0.000 2.224 546 Y HA -0.110 4.333 4.550 -0.178 0.000 0.289 546 Y C 2.348 178.474 175.900 0.376 0.000 1.146 546 Y CA 0.968 59.227 58.100 0.264 0.000 1.182 546 Y CB -0.720 37.873 38.460 0.222 0.000 0.983 546 Y HN 0.064 nan 8.280 nan 0.000 0.524 547 M N -0.515 119.289 119.600 0.340 0.000 2.149 547 M HA -0.183 4.190 4.480 -0.177 0.000 0.261 547 M C 2.325 178.868 176.300 0.405 0.000 1.064 547 M CA 1.875 57.371 55.300 0.326 0.000 1.102 547 M CB -0.381 32.285 32.600 0.109 0.000 1.369 547 M HN 0.273 nan 8.290 nan 0.000 0.408 548 A N -1.407 121.584 122.820 0.284 0.000 2.072 548 A HA -0.064 4.150 4.320 -0.177 0.000 0.216 548 A C 0.472 178.382 177.584 0.543 0.000 1.156 548 A CA 0.557 52.820 52.037 0.376 0.000 0.701 548 A CB -0.090 18.958 19.000 0.081 0.000 0.816 548 A HN 0.622 nan 8.150 nan 0.000 0.458 549 W N 0.270 121.762 121.300 0.320 0.000 1.759 549 W HA 0.376 4.929 4.660 -0.179 0.000 0.291 549 W C -3.095 173.557 176.519 0.223 0.000 0.855 549 W CA -3.533 53.964 57.345 0.254 0.000 2.167 549 W CB -0.658 28.998 29.460 0.326 0.000 2.351 549 W HN 0.068 nan 8.180 nan 0.000 0.423 550 P HA 0.166 nan 4.420 nan 0.000 0.264 550 P C 1.154 178.588 177.300 0.223 0.000 1.193 550 P CA 1.797 64.917 63.100 0.033 0.000 0.763 550 P CB 0.863 32.372 31.700 -0.319 0.000 0.810 551 G N 2.593 111.593 108.800 0.333 0.000 2.268 551 G HA2 -0.325 3.529 3.960 -0.177 0.000 0.240 551 G HA3 -0.325 3.529 3.960 -0.177 0.000 0.240 551 G C 1.261 176.247 174.900 0.142 0.000 1.010 551 G CA 0.292 45.492 45.100 0.166 0.000 0.618 551 G HN 0.534 nan 8.290 nan 0.000 0.516 552 Q N 0.965 120.894 119.800 0.216 0.000 2.124 552 Q HA 0.059 4.293 4.340 -0.177 0.000 0.202 552 Q C 2.767 178.986 176.000 0.365 0.000 0.977 552 Q CA 2.365 58.308 55.803 0.233 0.000 0.850 552 Q CB -0.534 28.392 28.738 0.313 0.000 0.901 552 Q HN 1.121 nan 8.270 nan 0.000 0.429 553 A N 0.346 123.378 122.820 0.353 0.000 2.172 553 A HA -0.046 4.168 4.320 -0.177 0.000 0.216 553 A C 2.033 179.786 177.584 0.281 0.000 1.154 553 A CA 0.535 52.740 52.037 0.280 0.000 0.701 553 A CB -0.383 18.427 19.000 -0.315 0.000 0.789 553 A HN 0.408 nan 8.150 nan 0.000 0.465 554 L N -1.259 120.085 121.223 0.200 0.000 2.313 554 L HA 0.006 4.240 4.340 -0.177 0.000 0.214 554 L C 2.590 179.553 176.870 0.155 0.000 1.119 554 L CA 0.673 55.597 54.840 0.140 0.000 0.809 554 L CB -0.474 41.623 42.059 0.064 0.000 0.933 554 L HN 0.454 nan 8.230 nan 0.000 0.449 555 G N -0.775 108.110 108.800 0.142 0.000 2.448 555 G HA2 -0.228 3.626 3.960 -0.177 0.000 0.218 555 G HA3 -0.228 3.626 3.960 -0.177 0.000 0.218 555 G C 1.183 176.091 174.900 0.014 0.000 1.135 555 G CA 0.279 45.393 45.100 0.023 0.000 0.784 555 G HN 0.231 nan 8.290 nan 0.000 0.543 556 Y N 0.810 121.200 120.300 0.149 0.000 2.014 556 Y HA -0.101 4.341 4.550 -0.180 0.000 0.270 556 Y C 2.888 178.856 175.900 0.115 0.000 1.145 556 Y CA 1.694 59.892 58.100 0.163 0.000 1.106 556 Y CB -0.126 38.450 38.460 0.193 0.000 0.968 556 Y HN -0.053 nan 8.280 nan 0.000 0.484 557 K N 0.296 120.858 120.400 0.269 0.000 2.116 557 K HA -0.027 4.187 4.320 -0.177 0.000 0.203 557 K C 2.050 178.713 176.600 0.105 0.000 1.052 557 K CA 0.806 57.189 56.287 0.160 0.000 0.952 557 K CB -0.576 31.996 32.500 0.120 0.000 0.729 557 K HN 0.353 nan 8.250 nan 0.000 0.446 558 L N -0.342 120.935 121.223 0.090 0.000 2.093 558 L HA -0.115 4.119 4.340 -0.177 0.000 0.208 558 L C 2.411 179.309 176.870 0.046 0.000 1.085 558 L CA 1.439 56.311 54.840 0.054 0.000 0.755 558 L CB -0.771 41.309 42.059 0.036 0.000 0.904 558 L HN 0.245 nan 8.230 nan 0.000 0.435 559 G N -0.480 108.349 108.800 0.049 0.000 2.402 559 G HA2 -0.282 3.572 3.960 -0.177 0.000 0.216 559 G HA3 -0.282 3.572 3.960 -0.177 0.000 0.216 559 G C 1.635 176.554 174.900 0.032 0.000 1.162 559 G CA 0.595 45.715 45.100 0.033 0.000 0.777 559 G HN 0.198 nan 8.290 nan 0.000 0.539 560 M N -0.002 119.636 119.600 0.063 0.000 2.117 560 M HA 0.025 4.399 4.480 -0.177 0.000 0.262 560 M C 2.475 178.819 176.300 0.074 0.000 1.065 560 M CA 1.341 56.690 55.300 0.081 0.000 1.114 560 M CB -0.203 32.469 32.600 0.120 0.000 1.361 560 M HN 0.215 nan 8.290 nan 0.000 0.408 561 L N 0.139 121.401 121.223 0.065 0.000 2.141 561 L HA -0.208 4.026 4.340 -0.177 0.000 0.209 561 L C 2.477 179.373 176.870 0.042 0.000 1.094 561 L CA 1.022 55.894 54.840 0.053 0.000 0.763 561 L CB -0.623 41.462 42.059 0.044 0.000 0.908 561 L HN 0.268 nan 8.230 nan 0.000 0.437 562 K N 1.004 121.426 120.400 0.035 0.000 2.062 562 K HA -0.086 4.128 4.320 -0.177 0.000 0.205 562 K C 1.841 178.467 176.600 0.043 0.000 1.051 562 K CA 1.405 57.712 56.287 0.034 0.000 0.941 562 K CB -0.246 32.270 32.500 0.027 0.000 0.719 562 K HN 0.160 nan 8.250 nan 0.000 0.440 563 I N 0.438 121.016 120.570 0.013 0.000 2.226 563 I HA -0.272 3.792 4.170 -0.177 0.000 0.245 563 I C 2.031 178.172 176.117 0.040 0.000 1.100 563 I CA 1.091 62.385 61.300 -0.010 0.000 1.374 563 I CB -0.201 37.666 38.000 -0.222 0.000 1.057 563 I HN 0.103 nan 8.210 nan 0.000 0.413 564 L N -0.413 120.831 121.223 0.035 0.000 2.093 564 L HA -0.188 4.045 4.340 -0.177 0.000 0.208 564 L C 2.718 179.604 176.870 0.027 0.000 1.085 564 L CA 1.164 56.044 54.840 0.066 0.000 0.755 564 L CB -0.502 41.618 42.059 0.102 0.000 0.904 564 L HN 0.224 nan 8.230 nan 0.000 0.435 565 S N 0.065 115.788 115.700 0.037 0.000 2.368 565 S HA -0.129 4.234 4.470 -0.177 0.000 0.225 565 S C 1.990 176.615 174.600 0.042 0.000 1.030 565 S CA 1.117 59.333 58.200 0.027 0.000 0.999 565 S CB -0.134 63.085 63.200 0.031 0.000 0.844 565 S HN 0.301 nan 8.310 nan 0.000 0.459 566 L N 0.700 121.983 121.223 0.099 0.000 2.093 566 L HA -0.001 4.233 4.340 -0.177 0.000 0.208 566 L C 2.877 179.853 176.870 0.176 0.000 1.085 566 L CA 1.340 56.293 54.840 0.188 0.000 0.755 566 L CB -0.435 41.792 42.059 0.280 0.000 0.904 566 L HN 0.305 nan 8.230 nan 0.000 0.435 567 R N -0.037 120.467 120.500 0.006 0.000 2.081 567 R HA -0.164 4.070 4.340 -0.177 0.000 0.235 567 R C 2.234 178.318 176.300 -0.360 0.000 1.131 567 R CA 1.213 57.015 56.100 -0.496 0.000 0.960 567 R CB 0.066 29.991 30.300 -0.624 0.000 0.856 567 R HN 0.247 nan 8.270 nan 0.000 0.436 568 E N 0.526 120.606 120.200 -0.200 0.000 2.077 568 E HA -0.254 3.990 4.350 -0.177 0.000 0.193 568 E C 1.796 178.313 176.600 -0.138 0.000 0.989 568 E CA 1.072 57.361 56.400 -0.185 0.000 0.800 568 E CB -0.236 29.401 29.700 -0.104 0.000 0.746 568 E HN 0.487 nan 8.360 nan 0.000 0.452 569 Q N 0.284 120.051 119.800 -0.056 0.000 2.096 569 Q HA -0.163 4.070 4.340 -0.177 0.000 0.204 569 Q C 2.010 178.002 176.000 -0.013 0.000 0.982 569 Q CA 1.736 57.530 55.803 -0.015 0.000 0.850 569 Q CB -0.065 28.697 28.738 0.040 0.000 0.901 569 Q HN 0.209 nan 8.270 nan 0.000 0.422 570 A N 0.895 123.734 122.820 0.032 0.000 1.898 570 A HA -0.181 4.033 4.320 -0.177 0.000 0.216 570 A C 1.982 179.556 177.584 -0.018 0.000 1.181 570 A CA 1.577 53.683 52.037 0.116 0.000 0.620 570 A CB -0.333 18.967 19.000 0.501 0.000 0.819 570 A HN 0.329 nan 8.150 nan 0.000 0.442 571 K N -0.317 119.878 120.400 -0.342 0.000 2.057 571 K HA -0.063 4.151 4.320 -0.177 0.000 0.207 571 K C 2.276 178.756 176.600 -0.200 0.000 1.049 571 K CA 1.163 57.147 56.287 -0.505 0.000 0.931 571 K CB -0.305 31.778 32.500 -0.694 0.000 0.714 571 K HN 0.440 nan 8.250 nan 0.000 0.440 572 A N 1.232 123.962 122.820 -0.150 0.000 1.930 572 A HA -0.170 4.044 4.320 -0.177 0.000 0.217 572 A C 2.071 179.617 177.584 -0.064 0.000 1.175 572 A CA 1.547 53.529 52.037 -0.091 0.000 0.627 572 A CB -0.332 18.624 19.000 -0.074 0.000 0.815 572 A HN 0.123 nan 8.150 nan 0.000 0.443 573 R N -0.227 120.238 120.500 -0.058 0.000 2.073 573 R HA 0.124 4.358 4.340 -0.177 0.000 0.229 573 R C 1.624 177.889 176.300 -0.058 0.000 1.120 573 R CA 1.515 57.580 56.100 -0.057 0.000 0.967 573 R CB -0.473 29.787 30.300 -0.067 0.000 0.862 573 R HN 0.480 nan 8.270 nan 0.000 0.436 574 L N -0.883 120.319 121.223 -0.035 0.000 2.463 574 L HA 0.320 4.554 4.340 -0.177 0.000 0.219 574 L C 1.527 178.406 176.870 0.015 0.000 1.088 574 L CA 0.213 55.043 54.840 -0.016 0.000 0.849 574 L CB -0.407 41.668 42.059 0.028 0.000 1.012 574 L HN 0.517 nan 8.230 nan 0.000 0.468 575 G N 2.137 110.943 108.800 0.010 0.000 2.651 575 G HA2 -0.441 3.413 3.960 -0.177 0.000 0.315 575 G HA3 -0.441 3.413 3.960 -0.177 0.000 0.315 575 G C 0.692 175.623 174.900 0.051 0.000 1.258 575 G CA 0.607 45.712 45.100 0.008 0.000 1.002 575 G HN 0.491 nan 8.290 nan 0.000 0.551 576 D N 0.776 121.197 120.400 0.034 0.000 2.309 576 D HA -0.061 4.473 4.640 -0.177 0.000 0.212 576 D C 1.767 178.103 176.300 0.060 0.000 0.968 576 D CA 1.468 55.494 54.000 0.044 0.000 0.882 576 D CB -0.160 40.653 40.800 0.022 0.000 0.918 576 D HN 0.602 nan 8.370 nan 0.000 0.503 577 K N -0.413 120.021 120.400 0.057 0.000 2.417 577 K HA 0.087 4.300 4.320 -0.177 0.000 0.196 577 K C 0.092 176.740 176.600 0.080 0.000 1.023 577 K CA -0.550 55.764 56.287 0.045 0.000 1.122 577 K CB 0.027 32.532 32.500 0.007 0.000 0.850 577 K HN 0.065 nan 8.250 nan 0.000 0.521 578 F N 2.397 122.345 119.950 -0.003 0.000 2.504 578 F HA 0.047 4.465 4.527 -0.182 0.000 0.369 578 F C -0.058 175.778 175.800 0.060 0.000 1.082 578 F CA -0.512 57.509 58.000 0.035 0.000 1.216 578 F CB 0.487 39.487 39.000 0.000 0.000 1.108 578 F HN -0.061 nan 8.300 nan 0.000 0.554 579 D N 5.438 125.492 120.400 -0.576 0.000 2.502 579 D HA 0.185 4.718 4.640 -0.177 0.000 0.249 579 D C 0.340 176.183 176.300 -0.762 0.000 1.092 579 D CA -0.566 53.168 54.000 -0.444 0.000 0.839 579 D CB 1.525 42.226 40.800 -0.164 0.000 1.264 579 D HN 0.532 nan 8.370 nan 0.000 0.511 580 L N 4.366 125.272 121.223 -0.528 0.000 2.156 580 L HA 0.172 4.405 4.340 -0.177 0.000 0.208 580 L C 1.978 178.590 176.870 -0.430 0.000 1.095 580 L CA 1.998 56.578 54.840 -0.433 0.000 0.770 580 L CB -0.677 41.288 42.059 -0.158 0.000 0.914 580 L HN 0.614 nan 8.230 nan 0.000 0.439 581 A N -0.837 121.827 122.820 -0.260 0.000 1.908 581 A HA -0.231 3.982 4.320 -0.177 0.000 0.218 581 A C 2.204 179.698 177.584 -0.151 0.000 1.181 581 A CA 1.895 53.840 52.037 -0.153 0.000 0.627 581 A CB -0.534 18.429 19.000 -0.062 0.000 0.818 581 A HN 0.581 nan 8.150 nan 0.000 0.445 582 E N -1.617 118.470 120.200 -0.188 0.000 2.106 582 E HA -0.135 4.108 4.350 -0.177 0.000 0.192 582 E C 1.762 178.045 176.600 -0.528 0.000 0.984 582 E CA 1.082 57.338 56.400 -0.240 0.000 0.806 582 E CB -0.235 29.453 29.700 -0.020 0.000 0.750 582 E HN 0.709 nan 8.360 nan 0.000 0.458 583 F N 1.268 120.835 119.950 -0.638 0.000 2.134 583 F HA -0.196 4.221 4.527 -0.183 0.000 0.299 583 F C 1.974 177.584 175.800 -0.317 0.000 1.097 583 F CA 1.865 59.490 58.000 -0.625 0.000 1.264 583 F CB -0.224 38.613 39.000 -0.272 0.000 1.001 583 F HN 0.061 nan 8.300 nan 0.000 0.479 584 H N -1.042 117.933 119.070 -0.158 0.000 2.423 584 H HA -0.145 4.303 4.556 -0.179 0.000 0.297 584 H C 1.727 176.937 175.328 -0.197 0.000 1.075 584 H CA 0.906 56.886 56.048 -0.113 0.000 1.342 584 H CB -0.089 29.657 29.762 -0.026 0.000 1.395 584 H HN 0.219 nan 8.280 nan 0.000 0.530 585 D N 0.182 120.514 120.400 -0.112 0.000 2.117 585 D HA -0.129 4.405 4.640 -0.177 0.000 0.197 585 D C 2.287 178.430 176.300 -0.262 0.000 0.987 585 D CA 0.707 54.616 54.000 -0.152 0.000 0.829 585 D CB -0.249 40.463 40.800 -0.146 0.000 0.961 585 D HN 0.137 nan 8.370 nan 0.000 0.460 586 V N 0.455 120.099 119.914 -0.450 0.000 2.343 586 V HA -0.197 3.817 4.120 -0.177 0.000 0.247 586 V C 2.569 178.458 176.094 -0.342 0.000 1.051 586 V CA 1.045 63.076 62.300 -0.448 0.000 1.036 586 V CB -0.348 31.058 31.823 -0.695 0.000 0.654 586 V HN 0.069 nan 8.190 nan 0.000 0.451 587 V N -0.584 119.083 119.914 -0.412 0.000 2.379 587 V HA -0.152 3.861 4.120 -0.177 0.000 0.245 587 V C 2.108 178.111 176.094 -0.152 0.000 1.044 587 V CA 1.754 63.883 62.300 -0.285 0.000 1.036 587 V CB -0.359 31.260 31.823 -0.341 0.000 0.664 587 V HN 0.422 nan 8.190 nan 0.000 0.453 588 L N -1.035 120.055 121.223 -0.221 0.000 2.253 588 L HA 0.107 4.341 4.340 -0.177 0.000 0.205 588 L C 2.045 178.809 176.870 -0.176 0.000 1.078 588 L CA 0.745 55.442 54.840 -0.237 0.000 0.805 588 L CB -0.209 41.667 42.059 -0.305 0.000 0.963 588 L HN 0.232 nan 8.230 nan 0.000 0.459 589 L N -0.235 120.892 121.223 -0.160 0.000 2.554 589 L HA -0.021 4.213 4.340 -0.177 0.000 0.226 589 L C 0.812 177.598 176.870 -0.141 0.000 1.137 589 L CA 0.631 55.385 54.840 -0.144 0.000 0.863 589 L CB -0.458 41.529 42.059 -0.120 0.000 0.985 589 L HN 0.343 nan 8.230 nan 0.000 0.451 590 N N -0.044 118.564 118.700 -0.154 0.000 2.270 590 N HA 0.235 4.869 4.740 -0.177 0.000 0.198 590 N C 0.729 176.109 175.510 -0.217 0.000 1.117 590 N CA 0.430 53.382 53.050 -0.163 0.000 0.845 590 N CB 0.715 39.111 38.487 -0.151 0.000 0.980 590 N HN 0.280 nan 8.380 nan 0.000 0.486 591 G N 0.610 109.267 108.800 -0.238 0.000 2.828 591 G HA2 -0.094 3.760 3.960 -0.177 0.000 0.463 591 G HA3 -0.094 3.760 3.960 -0.177 0.000 0.463 591 G C -0.311 174.224 174.900 -0.608 0.000 1.394 591 G CA -0.604 44.308 45.100 -0.313 0.000 0.862 591 G HN 0.391 nan 8.290 nan 0.000 0.540 592 A N -0.606 121.814 122.820 -0.667 0.000 2.454 592 A HA 0.710 4.924 4.320 -0.177 0.000 0.260 592 A C 0.855 177.992 177.584 -0.746 0.000 1.106 592 A CA 0.841 52.180 52.037 -1.165 0.000 0.780 592 A CB -0.008 18.750 19.000 -0.402 0.000 1.044 592 A HN 2.400 nan 8.150 nan 0.000 0.498 593 V N -0.144 119.143 119.914 -1.045 0.000 3.130 593 V HA 0.785 4.798 4.120 -0.177 0.000 0.310 593 V C -3.028 172.414 176.094 -1.086 0.000 1.158 593 V CA -2.728 59.006 62.300 -0.944 0.000 1.029 593 V CB 1.716 33.212 31.823 -0.546 0.000 1.057 593 V HN 0.644 nan 8.190 nan 0.000 0.436 594 P HA 0.257 nan 4.420 nan 0.000 0.269 594 P C 0.823 177.946 177.300 -0.294 0.000 1.215 594 P CA -0.279 62.431 63.100 -0.649 0.000 0.780 594 P CB 0.445 31.865 31.700 -0.467 0.000 0.898 595 M N 1.291 120.802 119.600 -0.149 0.000 2.267 595 M HA -0.141 4.233 4.480 -0.177 0.000 0.263 595 M C 1.865 178.128 176.300 -0.061 0.000 1.063 595 M CA 1.762 57.026 55.300 -0.060 0.000 1.090 595 M CB -1.929 30.656 32.600 -0.025 0.000 1.392 595 M HN 0.451 nan 8.290 nan 0.000 0.422 596 A N -0.375 122.395 122.820 -0.084 0.000 1.930 596 A HA -0.055 4.159 4.320 -0.177 0.000 0.217 596 A C 2.434 179.978 177.584 -0.068 0.000 1.175 596 A CA 1.489 53.488 52.037 -0.062 0.000 0.627 596 A CB -0.740 18.222 19.000 -0.063 0.000 0.815 596 A HN 0.301 nan 8.150 nan 0.000 0.443 597 V N -0.357 119.487 119.914 -0.116 0.000 2.379 597 V HA -0.166 3.848 4.120 -0.177 0.000 0.245 597 V C 2.440 178.482 176.094 -0.086 0.000 1.044 597 V CA 1.675 63.904 62.300 -0.119 0.000 1.036 597 V CB -0.662 31.049 31.823 -0.186 0.000 0.664 597 V HN 0.583 nan 8.190 nan 0.000 0.453 598 L N 0.408 121.583 121.223 -0.080 0.000 2.012 598 L HA -0.148 4.086 4.340 -0.177 0.000 0.210 598 L C 2.515 179.393 176.870 0.012 0.000 1.073 598 L CA 2.271 57.095 54.840 -0.027 0.000 0.748 598 L CB -0.893 41.179 42.059 0.023 0.000 0.891 598 L HN 0.291 nan 8.230 nan 0.000 0.431 599 S N -0.348 115.363 115.700 0.019 0.000 2.359 599 S HA -0.254 4.109 4.470 -0.177 0.000 0.224 599 S C 2.055 176.695 174.600 0.066 0.000 1.035 599 S CA 1.583 59.815 58.200 0.053 0.000 1.018 599 S CB -0.498 62.724 63.200 0.038 0.000 0.876 599 S HN 0.509 nan 8.310 nan 0.000 0.448 600 R N 1.486 122.006 120.500 0.034 0.000 2.091 600 R HA -0.121 4.113 4.340 -0.177 0.000 0.238 600 R C 1.737 178.089 176.300 0.087 0.000 1.136 600 R CA 1.652 57.779 56.100 0.045 0.000 0.959 600 R CB -0.290 30.011 30.300 0.001 0.000 0.856 600 R HN 0.292 nan 8.270 nan 0.000 0.437 601 N N 0.077 118.812 118.700 0.059 0.000 2.142 601 N HA -0.122 4.512 4.740 -0.177 0.000 0.186 601 N C 1.799 177.428 175.510 0.199 0.000 1.023 601 N CA 1.308 54.414 53.050 0.093 0.000 0.852 601 N CB -0.334 38.155 38.487 0.002 0.000 0.998 601 N HN 0.053 nan 8.380 nan 0.000 0.424 602 V N 1.681 121.710 119.914 0.192 0.000 2.295 602 V HA -0.232 3.782 4.120 -0.177 0.000 0.246 602 V C 1.628 177.944 176.094 0.371 0.000 1.049 602 V CA 1.635 64.148 62.300 0.355 0.000 1.024 602 V CB -0.732 31.290 31.823 0.332 0.000 0.648 602 V HN 0.339 nan 8.190 nan 0.000 0.447 603 N N -0.752 118.088 118.700 0.233 0.000 2.166 603 N HA -0.217 4.416 4.740 -0.177 0.000 0.186 603 N C 1.845 177.453 175.510 0.164 0.000 1.019 603 N CA 1.377 54.526 53.050 0.165 0.000 0.856 603 N CB -0.295 38.260 38.487 0.113 0.000 0.993 603 N HN 0.658 nan 8.380 nan 0.000 0.426 604 H N -0.742 118.401 119.070 0.122 0.000 2.353 604 H HA -0.160 4.290 4.556 -0.178 0.000 0.300 604 H C 1.861 177.282 175.328 0.156 0.000 1.090 604 H CA 1.821 57.933 56.048 0.107 0.000 1.327 604 H CB -0.287 29.529 29.762 0.091 0.000 1.383 604 H HN 0.439 nan 8.280 nan 0.000 0.508 605 W N 1.068 122.381 121.300 0.021 0.000 2.335 605 W HA -0.190 4.364 4.660 -0.176 0.000 0.311 605 W C 1.698 178.194 176.519 -0.037 0.000 1.213 605 W CA 1.975 59.306 57.345 -0.022 0.000 1.274 605 W CB -0.671 28.816 29.460 0.045 0.000 1.148 605 W HN 0.260 nan 8.180 nan 0.000 0.498 606 L N 0.440 121.514 121.223 -0.249 0.000 2.046 606 L HA -0.214 4.019 4.340 -0.177 0.000 0.208 606 L C 2.138 178.844 176.870 -0.273 0.000 1.077 606 L CA 1.733 56.311 54.840 -0.437 0.000 0.747 606 L CB -0.950 40.971 42.059 -0.230 0.000 0.896 606 L HN -0.105 nan 8.230 nan 0.000 0.432 607 D N -0.291 120.008 120.400 -0.169 0.000 2.269 607 D HA -0.101 4.433 4.640 -0.177 0.000 0.208 607 D C 1.187 177.384 176.300 -0.172 0.000 0.963 607 D CA 0.842 54.760 54.000 -0.138 0.000 0.864 607 D CB -0.165 40.583 40.800 -0.087 0.000 0.936 607 D HN 0.272 nan 8.370 nan 0.000 0.505 608 N N 0.818 119.380 118.700 -0.231 0.000 2.320 608 N HA 0.047 4.680 4.740 -0.177 0.000 0.237 608 N C 0.266 175.682 175.510 -0.158 0.000 1.129 608 N CA 0.106 53.039 53.050 -0.196 0.000 0.854 608 N CB 0.951 39.287 38.487 -0.253 0.000 1.083 608 N HN 0.158 nan 8.380 nan 0.000 0.504 609 K N 0.000 120.286 120.400 -0.191 0.000 2.780 609 K HA 0.000 4.214 4.320 -0.177 0.000 0.191 609 K CA 0.000 56.183 56.287 -0.174 0.000 0.838 609 K CB 0.000 32.334 32.500 -0.276 0.000 1.064 609 K HN 0.000 nan 8.250 nan 0.000 0.543