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_B 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 0.000 176.103 176.117 -0.024 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 3.021 118.707 115.700 -0.024 0.000 2.587 26 S HA 0.242 4.716 4.470 0.007 0.000 0.260 26 S C 1.168 175.749 174.600 -0.032 0.000 1.353 26 S CA 0.249 58.435 58.200 -0.023 0.000 0.995 26 S CB 1.289 64.478 63.200 -0.019 0.000 0.912 26 S HN 0.577 nan 8.310 nan 0.000 0.568 27 S N 1.258 116.941 115.700 -0.028 0.000 2.382 27 S HA -0.084 4.390 4.470 0.007 0.000 0.228 27 S C 1.820 176.388 174.600 -0.054 0.000 1.027 27 S CA 1.337 59.515 58.200 -0.036 0.000 0.991 27 S CB -0.422 62.765 63.200 -0.022 0.000 0.823 27 S HN 0.734 nan 8.310 nan 0.000 0.469 28 K N 0.925 121.299 120.400 -0.043 0.000 2.097 28 K HA -0.060 4.264 4.320 0.007 0.000 0.205 28 K C 2.406 178.958 176.600 -0.081 0.000 1.050 28 K CA 1.014 57.270 56.287 -0.051 0.000 0.938 28 K CB -0.127 32.361 32.500 -0.020 0.000 0.718 28 K HN 0.404 nan 8.250 nan 0.000 0.442 29 Q N 0.568 120.329 119.800 -0.065 0.000 2.079 29 Q HA -0.190 4.154 4.340 0.007 0.000 0.200 29 Q C 2.251 178.189 176.000 -0.103 0.000 0.974 29 Q CA 1.284 57.045 55.803 -0.069 0.000 0.840 29 Q CB 0.020 28.730 28.738 -0.046 0.000 0.898 29 Q HN 0.330 nan 8.270 nan 0.000 0.430 30 Q N 0.651 120.390 119.800 -0.101 0.000 2.084 30 Q HA -0.179 4.165 4.340 0.007 0.000 0.202 30 Q C 2.060 177.936 176.000 -0.206 0.000 0.978 30 Q CA 1.052 56.785 55.803 -0.117 0.000 0.844 30 Q CB -0.008 28.680 28.738 -0.083 0.000 0.898 30 Q HN 0.374 nan 8.270 nan 0.000 0.426 31 L N 0.041 121.095 121.223 -0.281 0.000 2.017 31 L HA -0.186 4.158 4.340 0.007 0.000 0.208 31 L C 2.577 178.837 176.870 -1.017 0.000 1.073 31 L CA 1.111 55.587 54.840 -0.606 0.000 0.745 31 L CB -0.601 41.164 42.059 -0.490 0.000 0.894 31 L HN 0.285 nan 8.230 nan 0.000 0.432 32 A N -0.744 121.743 122.820 -0.555 0.000 1.940 32 A HA -0.212 4.112 4.320 0.007 0.000 0.219 32 A C 2.487 179.951 177.584 -0.201 0.000 1.176 32 A CA 2.198 54.045 52.037 -0.316 0.000 0.631 32 A CB -0.611 18.328 19.000 -0.102 0.000 0.814 32 A HN 0.406 nan 8.150 nan 0.000 0.446 33 S N -0.220 115.376 115.700 -0.175 0.000 2.383 33 S HA -0.059 4.415 4.470 0.007 0.000 0.227 33 S C 1.788 176.345 174.600 -0.072 0.000 1.026 33 S CA 1.349 59.495 58.200 -0.090 0.000 0.981 33 S CB -0.419 62.737 63.200 -0.073 0.000 0.818 33 S HN 0.507 nan 8.310 nan 0.000 0.472 34 L N 0.155 121.294 121.223 -0.139 0.000 2.046 34 L HA -0.130 4.214 4.340 0.007 0.000 0.208 34 L C 2.299 179.225 176.870 0.093 0.000 1.077 34 L CA 1.180 55.989 54.840 -0.051 0.000 0.747 34 L CB -0.694 41.322 42.059 -0.072 0.000 0.896 34 L HN 0.292 nan 8.230 nan 0.000 0.432 35 Y N -0.649 119.669 120.300 0.031 0.000 2.224 35 Y HA -0.229 4.326 4.550 0.007 0.000 0.289 35 Y C 2.305 178.240 175.900 0.059 0.000 1.146 35 Y CA 0.574 58.701 58.100 0.046 0.000 1.182 35 Y CB -0.952 37.535 38.460 0.044 0.000 0.983 35 Y HN 0.092 nan 8.280 nan 0.000 0.524 36 L N 0.444 121.774 121.223 0.179 0.000 2.056 36 L HA -0.187 4.157 4.340 0.007 0.000 0.207 36 L C 2.418 179.343 176.870 0.091 0.000 1.078 36 L CA 1.797 56.708 54.840 0.117 0.000 0.749 36 L CB -0.948 41.150 42.059 0.064 0.000 0.901 36 L HN 0.268 nan 8.230 nan 0.000 0.433 37 Q N -0.833 119.009 119.800 0.072 0.000 2.135 37 Q HA -0.230 4.114 4.340 0.007 0.000 0.204 37 Q C 2.120 178.158 176.000 0.063 0.000 0.981 37 Q CA 1.803 57.638 55.803 0.053 0.000 0.856 37 Q CB -0.172 28.587 28.738 0.035 0.000 0.902 37 Q HN 0.675 nan 8.270 nan 0.000 0.425 38 A N 1.284 124.160 122.820 0.094 0.000 1.877 38 A HA -0.237 4.087 4.320 0.007 0.000 0.216 38 A C 2.025 179.644 177.584 0.059 0.000 1.186 38 A CA 1.740 53.825 52.037 0.080 0.000 0.620 38 A CB -0.617 18.457 19.000 0.125 0.000 0.822 38 A HN 0.390 nan 8.150 nan 0.000 0.443 39 K N -0.457 120.022 120.400 0.131 0.000 1.991 39 K HA -0.238 4.086 4.320 0.007 0.000 0.212 39 K C 2.268 178.982 176.600 0.191 0.000 1.049 39 K CA 1.922 58.339 56.287 0.217 0.000 0.932 39 K CB -0.288 32.363 32.500 0.251 0.000 0.717 39 K HN 0.637 nan 8.250 nan 0.000 0.441 40 Q N -0.102 119.767 119.800 0.114 0.000 2.124 40 Q HA -0.098 4.246 4.340 0.007 0.000 0.202 40 Q C 2.257 178.286 176.000 0.048 0.000 0.977 40 Q CA 1.597 57.451 55.803 0.086 0.000 0.850 40 Q CB 0.044 28.811 28.738 0.047 0.000 0.901 40 Q HN 0.281 nan 8.270 nan 0.000 0.429 41 S N 0.993 116.699 115.700 0.011 0.000 2.368 41 S HA -0.114 4.360 4.470 0.007 0.000 0.224 41 S C 1.814 176.361 174.600 -0.088 0.000 1.029 41 S CA 0.804 58.989 58.200 -0.026 0.000 0.988 41 S CB -0.163 63.025 63.200 -0.021 0.000 0.838 41 S HN 0.220 nan 8.310 nan 0.000 0.462 42 L N 0.620 121.737 121.223 -0.177 0.000 2.023 42 L HA 0.127 4.471 4.340 0.007 0.000 0.205 42 L C 1.730 178.359 176.870 -0.401 0.000 1.073 42 L CA 1.806 56.412 54.840 -0.390 0.000 0.745 42 L CB -0.758 40.879 42.059 -0.704 0.000 0.900 42 L HN 0.190 nan 8.230 nan 0.000 0.435 43 F N 0.130 120.038 119.950 -0.069 0.000 2.325 43 F HA -0.075 4.456 4.527 0.007 0.000 0.299 43 F C 2.343 178.120 175.800 -0.038 0.000 1.090 43 F CA 1.033 59.010 58.000 -0.039 0.000 1.392 43 F CB -0.601 38.388 39.000 -0.019 0.000 1.053 43 F HN 0.039 nan 8.300 nan 0.000 0.521 44 K N -0.305 120.156 120.400 0.102 0.000 2.209 44 K HA -0.152 4.172 4.320 0.007 0.000 0.204 44 K C 1.500 178.096 176.600 -0.006 0.000 1.048 44 K CA 0.987 57.300 56.287 0.044 0.000 0.940 44 K CB -0.077 32.435 32.500 0.020 0.000 0.729 44 K HN 0.233 nan 8.250 nan 0.000 0.451 45 Q N -0.213 119.557 119.800 -0.049 0.000 2.282 45 Q HA 0.088 4.432 4.340 0.007 0.000 0.206 45 Q C 0.082 176.003 176.000 -0.131 0.000 0.878 45 Q CA 0.286 56.027 55.803 -0.103 0.000 0.944 45 Q CB 1.075 29.743 28.738 -0.117 0.000 1.100 45 Q HN 0.052 nan 8.270 nan 0.000 0.509 46 R N 0.085 120.551 120.500 -0.058 0.000 2.782 46 R HA 0.417 4.761 4.340 0.007 0.000 0.293 46 R C 0.526 176.906 176.300 0.134 0.000 1.333 46 R CA -0.124 55.981 56.100 0.008 0.000 1.479 46 R CB 0.409 30.686 30.300 -0.038 0.000 1.306 46 R HN 0.049 nan 8.270 nan 0.000 0.654 47 A N 0.547 123.398 122.820 0.052 0.000 2.019 47 A HA -0.126 4.198 4.320 0.007 0.000 0.219 47 A C 1.852 179.499 177.584 0.105 0.000 1.164 47 A CA 1.171 53.254 52.037 0.076 0.000 0.644 47 A CB -0.058 18.943 19.000 0.001 0.000 0.805 47 A HN 0.338 nan 8.150 nan 0.000 0.449 48 L N -0.713 120.568 121.223 0.097 0.000 2.072 48 L HA -0.097 4.247 4.340 0.007 0.000 0.205 48 L C 2.797 179.758 176.870 0.152 0.000 1.079 48 L CA 1.591 56.501 54.840 0.116 0.000 0.752 48 L CB -0.344 41.781 42.059 0.110 0.000 0.906 48 L HN 0.261 nan 8.230 nan 0.000 0.436 49 S N -0.331 115.505 115.700 0.228 0.000 2.383 49 S HA -0.204 4.270 4.470 0.007 0.000 0.229 49 S C 2.201 177.006 174.600 0.341 0.000 1.030 49 S CA 1.139 59.536 58.200 0.328 0.000 1.002 49 S CB -0.398 63.140 63.200 0.563 0.000 0.829 49 S HN 0.501 nan 8.310 nan 0.000 0.467 50 A N 1.366 124.372 122.820 0.309 0.000 1.877 50 A HA -0.129 4.195 4.320 0.007 0.000 0.216 50 A C 2.339 179.946 177.584 0.038 0.000 1.186 50 A CA 2.099 54.167 52.037 0.050 0.000 0.620 50 A CB -1.433 17.612 19.000 0.075 0.000 0.822 50 A HN 0.470 nan 8.150 nan 0.000 0.443 51 T N -0.160 114.438 114.554 0.073 0.000 2.665 51 T HA -0.249 4.105 4.350 0.007 0.000 0.268 51 T C 1.932 176.660 174.700 0.046 0.000 1.035 51 T CA 1.823 63.961 62.100 0.064 0.000 1.151 51 T CB -0.349 68.573 68.868 0.089 0.000 0.862 51 T HN 0.524 nan 8.240 nan 0.000 0.438 52 M N -0.161 119.450 119.600 0.018 0.000 2.108 52 M HA -0.154 4.330 4.480 0.007 0.000 0.261 52 M C 1.690 177.911 176.300 -0.132 0.000 1.066 52 M CA 1.821 57.073 55.300 -0.080 0.000 1.107 52 M CB -0.253 32.242 32.600 -0.175 0.000 1.356 52 M HN 0.349 nan 8.290 nan 0.000 0.406 53 Y N -0.117 120.197 120.300 0.024 0.000 2.561 53 Y HA 0.104 4.658 4.550 0.007 0.000 0.291 53 Y C 1.492 177.390 175.900 -0.004 0.000 1.141 53 Y CA 0.533 58.641 58.100 0.012 0.000 1.303 53 Y CB 0.060 38.503 38.460 -0.029 0.000 1.015 53 Y HN 0.568 nan 8.280 nan 0.000 0.547 54 G N 0.810 109.669 108.800 0.098 0.000 2.171 54 G HA2 -0.257 3.707 3.960 0.007 0.000 0.238 54 G HA3 -0.257 3.707 3.960 0.007 0.000 0.238 54 G C -0.231 174.666 174.900 -0.005 0.000 1.039 54 G CA -0.197 44.936 45.100 0.054 0.000 0.759 54 G HN 0.208 nan 8.290 nan 0.000 0.501 55 L N 0.504 121.690 121.223 -0.062 0.000 2.421 55 L HA 0.762 5.106 4.340 0.007 0.000 0.263 55 L C 1.033 177.849 176.870 -0.089 0.000 1.122 55 L CA 0.067 54.813 54.840 -0.156 0.000 0.804 55 L CB 1.561 43.424 42.059 -0.327 0.000 1.150 55 L HN 0.546 nan 8.230 nan 0.000 0.457 56 S N -0.612 115.032 115.700 -0.094 0.000 2.880 56 S HA 0.155 4.629 4.470 0.007 0.000 0.308 56 S C 0.312 174.880 174.600 -0.053 0.000 1.195 56 S CA -0.726 57.444 58.200 -0.050 0.000 0.866 56 S CB 1.462 64.645 63.200 -0.029 0.000 1.254 56 S HN 0.641 nan 8.310 nan 0.000 0.571 57 Q N 1.156 120.938 119.800 -0.029 0.000 2.181 57 Q HA -0.204 4.140 4.340 0.007 0.000 0.205 57 Q C 1.913 177.893 176.000 -0.034 0.000 0.980 57 Q CA 2.068 57.858 55.803 -0.023 0.000 0.862 57 Q CB -0.386 28.347 28.738 -0.009 0.000 0.905 57 Q HN 0.756 nan 8.270 nan 0.000 0.429 58 K N -0.583 119.792 120.400 -0.040 0.000 2.211 58 K HA -0.145 4.179 4.320 0.007 0.000 0.203 58 K C 1.035 177.594 176.600 -0.067 0.000 1.050 58 K CA 1.601 57.862 56.287 -0.044 0.000 0.945 58 K CB 0.056 32.532 32.500 -0.039 0.000 0.732 58 K HN 0.196 nan 8.250 nan 0.000 0.451 59 D N 0.883 121.221 120.400 -0.103 0.000 2.162 59 D HA -0.027 4.617 4.640 0.007 0.000 0.205 59 D C 1.851 178.078 176.300 -0.121 0.000 0.964 59 D CA 0.837 54.738 54.000 -0.165 0.000 0.847 59 D CB 0.180 40.814 40.800 -0.277 0.000 0.988 59 D HN 0.211 nan 8.370 nan 0.000 0.480 60 I N -0.361 120.163 120.570 -0.078 0.000 3.265 60 I HA 0.136 4.310 4.170 0.007 0.000 0.282 60 I C 1.794 177.907 176.117 -0.007 0.000 1.207 60 I CA 0.558 61.843 61.300 -0.026 0.000 1.449 60 I CB -0.612 37.386 38.000 -0.003 0.000 1.121 60 I HN 0.101 nan 8.210 nan 0.000 0.442 61 G N 1.226 110.017 108.800 -0.016 0.000 2.159 61 G HA2 -0.254 3.711 3.960 0.007 0.000 0.256 61 G HA3 -0.254 3.711 3.960 0.007 0.000 0.256 61 G C 0.302 175.202 174.900 0.000 0.000 0.977 61 G CA 0.221 45.317 45.100 -0.007 0.000 0.652 61 G HN 0.444 nan 8.290 nan 0.000 0.531 62 Q N -1.311 118.490 119.800 0.002 0.000 2.426 62 Q HA 0.511 4.855 4.340 0.007 0.000 0.278 62 Q C -0.451 175.554 176.000 0.008 0.000 1.007 62 Q CA -0.875 54.933 55.803 0.008 0.000 0.850 62 Q CB 2.835 31.581 28.738 0.014 0.000 1.427 62 Q HN 0.230 nan 8.270 nan 0.000 0.391 63 V N 3.666 123.587 119.914 0.012 0.000 2.508 63 V HA 0.067 4.191 4.120 0.007 0.000 0.281 63 V C 0.637 176.743 176.094 0.020 0.000 1.041 63 V CA 0.417 62.726 62.300 0.015 0.000 1.016 63 V CB 0.502 32.336 31.823 0.018 0.000 0.984 63 V HN 0.683 nan 8.190 nan 0.000 0.478 64 I N 1.858 122.441 120.570 0.021 0.000 4.154 64 I HA 0.155 4.330 4.170 0.007 0.000 0.334 64 I C 1.796 177.933 176.117 0.033 0.000 1.371 64 I CA 0.569 61.885 61.300 0.026 0.000 1.110 64 I CB -0.040 37.979 38.000 0.032 0.000 1.085 64 I HN 0.473 nan 8.210 nan 0.000 0.398 65 S N 1.139 116.861 115.700 0.038 0.000 2.419 65 S HA -0.117 4.357 4.470 0.007 0.000 0.233 65 S C 1.665 176.304 174.600 0.065 0.000 1.016 65 S CA 1.161 59.393 58.200 0.053 0.000 0.974 65 S CB -0.894 62.337 63.200 0.051 0.000 0.786 65 S HN 0.685 nan 8.310 nan 0.000 0.492 66 S N -0.162 115.571 115.700 0.054 0.000 2.650 66 S HA 0.343 4.817 4.470 0.007 0.000 0.240 66 S C -0.676 173.949 174.600 0.041 0.000 1.007 66 S CA -0.740 57.495 58.200 0.058 0.000 0.984 66 S CB 0.006 63.242 63.200 0.060 0.000 0.910 66 S HN 0.180 nan 8.310 nan 0.000 0.509 67 D N 2.148 122.561 120.400 0.021 0.000 2.312 67 D HA 0.578 5.222 4.640 0.007 0.000 0.248 67 D C -0.346 175.901 176.300 -0.089 0.000 1.086 67 D CA -0.113 53.877 54.000 -0.017 0.000 0.948 67 D CB 1.039 41.824 40.800 -0.025 0.000 1.162 67 D HN 0.292 nan 8.370 nan 0.000 0.446 68 M N 0.609 120.065 119.600 -0.240 0.000 2.664 68 M HA 0.330 4.814 4.480 0.007 0.000 0.314 68 M C -0.953 174.833 176.300 -0.857 0.000 1.200 68 M CA -0.468 54.556 55.300 -0.461 0.000 0.916 68 M CB 1.742 34.081 32.600 -0.434 0.000 1.717 68 M HN 0.179 nan 8.290 nan 0.000 0.470 69 E N 1.785 121.569 120.200 -0.693 0.000 2.266 69 E HA 0.529 4.883 4.350 0.007 0.000 0.277 69 E C -1.533 174.539 176.600 -0.880 0.000 1.018 69 E CA -0.170 55.826 56.400 -0.673 0.000 0.840 69 E CB 1.005 30.527 29.700 -0.296 0.000 1.082 69 E HN 0.434 nan 8.360 nan 0.000 0.395 70 F N 0.652 120.389 119.950 -0.355 0.000 2.577 70 F HA 0.334 4.865 4.527 0.007 0.000 0.318 70 F C -0.278 175.207 175.800 -0.527 0.000 1.065 70 F CA -0.816 57.022 58.000 -0.271 0.000 0.929 70 F CB 0.929 39.848 39.000 -0.135 0.000 1.237 70 F HN 0.430 nan 8.300 nan 0.000 0.468 71 Y N -0.400 119.991 120.300 0.153 0.000 2.721 71 Y HA 0.194 4.748 4.550 0.007 0.000 0.251 71 Y C 0.750 176.684 175.900 0.056 0.000 1.136 71 Y CA -0.695 57.448 58.100 0.072 0.000 1.142 71 Y CB 0.361 38.832 38.460 0.019 0.000 1.212 71 Y HN 0.499 nan 8.280 nan 0.000 0.565 72 S N -0.391 115.385 115.700 0.128 0.000 2.576 72 S HA 0.085 4.559 4.470 0.007 0.000 0.272 72 S C -1.678 172.961 174.600 0.065 0.000 1.352 72 S CA -0.874 57.371 58.200 0.076 0.000 1.021 72 S CB 1.298 64.512 63.200 0.024 0.000 0.887 72 S HN 0.021 nan 8.310 nan 0.000 0.542 73 P HA -0.161 nan 4.420 nan 0.000 0.216 73 P C 1.458 178.769 177.300 0.019 0.000 1.154 73 P CA 1.629 64.749 63.100 0.032 0.000 0.865 73 P CB 0.047 31.758 31.700 0.019 0.000 0.789 74 E N -0.891 119.316 120.200 0.010 0.000 2.107 74 E HA -0.145 4.209 4.350 0.007 0.000 0.191 74 E C 1.820 178.421 176.600 0.001 0.000 0.982 74 E CA 1.187 57.588 56.400 0.001 0.000 0.809 74 E CB -0.826 28.871 29.700 -0.006 0.000 0.756 74 E HN 0.100 nan 8.360 nan 0.000 0.459 75 N N 0.801 119.504 118.700 0.006 0.000 2.069 75 N HA -0.154 4.590 4.740 0.007 0.000 0.191 75 N C 1.599 177.103 175.510 -0.010 0.000 1.031 75 N CA 1.249 54.296 53.050 -0.005 0.000 0.852 75 N CB -0.272 38.209 38.487 -0.010 0.000 1.018 75 N HN 0.229 nan 8.380 nan 0.000 0.423 76 E N 1.151 121.360 120.200 0.015 0.000 2.077 76 E HA -0.148 4.206 4.350 0.007 0.000 0.193 76 E C 1.901 178.505 176.600 0.007 0.000 0.989 76 E CA 0.663 57.079 56.400 0.027 0.000 0.800 76 E CB -0.157 29.587 29.700 0.072 0.000 0.746 76 E HN 0.423 nan 8.360 nan 0.000 0.452 77 K N 0.923 121.325 120.400 0.003 0.000 2.063 77 K HA -0.203 4.121 4.320 0.007 0.000 0.208 77 K C 2.116 178.711 176.600 -0.010 0.000 1.048 77 K CA 1.526 57.809 56.287 -0.007 0.000 0.928 77 K CB 0.040 32.535 32.500 -0.008 0.000 0.713 77 K HN 0.086 nan 8.250 nan 0.000 0.442 78 Q N 0.250 120.044 119.800 -0.010 0.000 2.119 78 Q HA -0.146 4.198 4.340 0.007 0.000 0.201 78 Q C 2.164 178.154 176.000 -0.017 0.000 0.972 78 Q CA 1.077 56.873 55.803 -0.012 0.000 0.847 78 Q CB -0.100 28.631 28.738 -0.012 0.000 0.903 78 Q HN 0.264 nan 8.270 nan 0.000 0.433 79 L N 1.191 122.401 121.223 -0.023 0.000 1.976 79 L HA -0.190 4.154 4.340 0.007 0.000 0.209 79 L C 2.128 178.985 176.870 -0.022 0.000 1.071 79 L CA 1.808 56.628 54.840 -0.033 0.000 0.746 79 L CB -0.317 41.713 42.059 -0.048 0.000 0.890 79 L HN -0.006 nan 8.230 nan 0.000 0.432 80 R N -0.229 120.262 120.500 -0.015 0.000 2.105 80 R HA -0.113 4.231 4.340 0.007 0.000 0.239 80 R C 2.238 178.534 176.300 -0.006 0.000 1.135 80 R CA 1.292 57.386 56.100 -0.009 0.000 0.967 80 R CB -0.806 29.486 30.300 -0.013 0.000 0.861 80 R HN 0.556 nan 8.270 nan 0.000 0.442 81 A N 1.269 124.084 122.820 -0.008 0.000 1.930 81 A HA -0.220 4.104 4.320 0.007 0.000 0.217 81 A C 2.085 179.668 177.584 -0.002 0.000 1.175 81 A CA 1.541 53.575 52.037 -0.006 0.000 0.627 81 A CB -0.346 18.649 19.000 -0.008 0.000 0.815 81 A HN 0.442 nan 8.150 nan 0.000 0.443 82 E N -0.072 120.125 120.200 -0.004 0.000 2.072 82 E HA -0.117 4.237 4.350 0.007 0.000 0.191 82 E C 1.840 178.444 176.600 0.008 0.000 0.985 82 E CA 1.040 57.440 56.400 -0.001 0.000 0.801 82 E CB -0.248 29.448 29.700 -0.008 0.000 0.750 82 E HN 0.585 nan 8.360 nan 0.000 0.452 83 L N 0.409 121.638 121.223 0.009 0.000 2.109 83 L HA -0.106 4.238 4.340 0.007 0.000 0.207 83 L C 2.534 179.423 176.870 0.033 0.000 1.086 83 L CA 0.342 55.199 54.840 0.029 0.000 0.760 83 L CB -0.330 41.755 42.059 0.043 0.000 0.910 83 L HN 0.290 nan 8.230 nan 0.000 0.437 84 L N -0.871 120.363 121.223 0.020 0.000 2.056 84 L HA -0.174 4.170 4.340 0.007 0.000 0.207 84 L C 2.679 179.559 176.870 0.017 0.000 1.078 84 L CA 1.870 56.719 54.840 0.016 0.000 0.749 84 L CB -0.617 41.446 42.059 0.005 0.000 0.901 84 L HN 0.162 nan 8.230 nan 0.000 0.433 85 S N -0.521 115.187 115.700 0.014 0.000 2.356 85 S HA -0.187 4.287 4.470 0.007 0.000 0.223 85 S C 2.064 176.676 174.600 0.020 0.000 1.032 85 S CA 1.752 59.959 58.200 0.013 0.000 1.005 85 S CB -0.459 62.746 63.200 0.008 0.000 0.867 85 S HN 0.499 nan 8.310 nan 0.000 0.449 86 I N 0.900 121.487 120.570 0.028 0.000 2.163 86 I HA -0.170 4.004 4.170 0.007 0.000 0.243 86 I C 2.799 178.949 176.117 0.055 0.000 1.085 86 I CA 1.475 62.801 61.300 0.043 0.000 1.347 86 I CB -0.653 37.380 38.000 0.056 0.000 1.044 86 I HN 0.351 nan 8.210 nan 0.000 0.408 87 S N 1.013 116.744 115.700 0.052 0.000 2.359 87 S HA -0.217 4.258 4.470 0.007 0.000 0.224 87 S C 1.907 176.531 174.600 0.040 0.000 1.035 87 S CA 1.948 60.179 58.200 0.052 0.000 1.018 87 S CB -0.349 62.875 63.200 0.039 0.000 0.876 87 S HN 0.409 nan 8.310 nan 0.000 0.448 88 N N 0.736 119.452 118.700 0.028 0.000 2.149 88 N HA -0.062 4.682 4.740 0.007 0.000 0.188 88 N C 1.786 177.309 175.510 0.021 0.000 1.019 88 N CA 1.812 54.874 53.050 0.020 0.000 0.857 88 N CB -1.164 37.331 38.487 0.013 0.000 0.997 88 N HN 0.466 nan 8.380 nan 0.000 0.426 89 T N 1.551 116.118 114.554 0.023 0.000 2.777 89 T HA 0.067 4.421 4.350 0.007 0.000 0.266 89 T C 2.145 176.859 174.700 0.023 0.000 1.040 89 T CA 0.504 62.614 62.100 0.016 0.000 1.141 89 T CB -0.108 68.766 68.868 0.010 0.000 0.868 89 T HN 0.157 nan 8.240 nan 0.000 0.444 90 I N 1.530 122.127 120.570 0.046 0.000 2.179 90 I HA -0.195 3.979 4.170 0.007 0.000 0.242 90 I C 2.912 179.065 176.117 0.060 0.000 1.088 90 I CA 1.234 62.579 61.300 0.074 0.000 1.357 90 I CB -0.447 37.645 38.000 0.153 0.000 1.051 90 I HN 0.190 nan 8.210 nan 0.000 0.409 91 A N 0.579 123.427 122.820 0.047 0.000 2.019 91 A HA -0.107 4.217 4.320 0.007 0.000 0.219 91 A C 2.329 179.926 177.584 0.023 0.000 1.164 91 A CA 1.794 53.851 52.037 0.033 0.000 0.644 91 A CB -1.200 17.814 19.000 0.024 0.000 0.805 91 A HN 0.498 nan 8.150 nan 0.000 0.449 92 G N -0.833 107.977 108.800 0.018 0.000 2.712 92 G HA2 0.228 4.192 3.960 0.007 0.000 0.212 92 G HA3 0.228 4.192 3.960 0.007 0.000 0.212 92 G C 0.597 175.502 174.900 0.008 0.000 1.142 92 G CA -0.111 44.995 45.100 0.010 0.000 0.789 92 G HN 0.446 nan 8.290 nan 0.000 0.535 93 I N 1.007 121.583 120.570 0.009 0.000 2.556 93 I HA 0.136 4.310 4.170 0.007 0.000 0.284 93 I C 0.240 176.361 176.117 0.006 0.000 1.114 93 I CA -0.403 60.898 61.300 0.002 0.000 1.418 93 I CB 1.264 39.260 38.000 -0.005 0.000 1.394 93 I HN -0.127 nan 8.210 nan 0.000 0.552 94 K N 6.702 127.103 120.400 0.002 0.000 2.248 94 K HA 0.397 4.721 4.320 0.007 0.000 0.281 94 K C -1.263 175.339 176.600 0.003 0.000 1.054 94 K CA -0.354 55.935 56.287 0.004 0.000 0.903 94 K CB 0.558 33.059 32.500 0.002 0.000 1.077 94 K HN 0.283 nan 8.250 nan 0.000 0.474 95 L N 3.831 125.058 121.223 0.007 0.000 2.282 95 L HA 0.272 4.616 4.340 0.007 0.000 0.288 95 L C -0.537 176.337 176.870 0.006 0.000 1.033 95 L CA -0.354 54.491 54.840 0.007 0.000 0.807 95 L CB 1.277 43.344 42.059 0.013 0.000 1.209 95 L HN 0.679 nan 8.230 nan 0.000 0.423 96 D N 2.956 123.358 120.400 0.005 0.000 2.402 96 D HA 0.100 4.744 4.640 0.007 0.000 0.235 96 D C 0.200 176.505 176.300 0.007 0.000 1.226 96 D CA 0.176 54.179 54.000 0.005 0.000 0.918 96 D CB 0.050 40.851 40.800 0.003 0.000 1.043 96 D HN 0.485 nan 8.370 nan 0.000 0.506 97 D N 2.364 122.769 120.400 0.009 0.000 2.689 97 D HA -0.228 4.416 4.640 0.007 0.000 0.237 97 D C -0.569 175.739 176.300 0.014 0.000 1.148 97 D CA 0.848 54.855 54.000 0.012 0.000 0.656 97 D CB -1.040 39.766 40.800 0.011 0.000 1.050 97 D HN 0.502 nan 8.370 nan 0.000 0.426 98 A N 1.101 123.929 122.820 0.013 0.000 2.466 98 A HA 0.367 4.691 4.320 0.007 0.000 0.238 98 A C 0.753 178.347 177.584 0.016 0.000 1.074 98 A CA 0.279 52.324 52.037 0.014 0.000 0.774 98 A CB 0.386 19.395 19.000 0.015 0.000 1.015 98 A HN 0.452 nan 8.150 nan 0.000 0.498 99 D N 0.288 120.696 120.400 0.013 0.000 2.411 99 D HA 0.077 4.721 4.640 0.007 0.000 0.251 99 D C 1.072 177.368 176.300 -0.007 0.000 1.201 99 D CA -0.519 53.488 54.000 0.011 0.000 0.996 99 D CB 0.463 41.268 40.800 0.008 0.000 1.101 99 D HN 0.368 nan 8.370 nan 0.000 0.504 100 I N -0.436 120.115 120.570 -0.032 0.000 2.226 100 I HA -0.280 3.894 4.170 0.007 0.000 0.245 100 I C 1.649 177.720 176.117 -0.077 0.000 1.100 100 I CA 1.294 62.553 61.300 -0.068 0.000 1.374 100 I CB -0.089 37.816 38.000 -0.159 0.000 1.057 100 I HN 0.409 nan 8.210 nan 0.000 0.413 101 T N 0.103 114.609 114.554 -0.079 0.000 2.788 101 T HA -0.165 4.189 4.350 0.007 0.000 0.268 101 T C 1.712 176.394 174.700 -0.029 0.000 1.044 101 T CA 2.031 64.092 62.100 -0.066 0.000 1.139 101 T CB -0.459 68.375 68.868 -0.057 0.000 0.867 101 T HN 0.429 nan 8.240 nan 0.000 0.454 102 T N 1.942 116.492 114.554 -0.006 0.000 2.770 102 T HA -0.022 4.332 4.350 0.007 0.000 0.263 102 T C 2.030 176.747 174.700 0.029 0.000 1.039 102 T CA 0.913 63.030 62.100 0.028 0.000 1.142 102 T CB -0.147 68.738 68.868 0.028 0.000 0.868 102 T HN 0.410 nan 8.240 nan 0.000 0.435 103 K N 1.129 121.534 120.400 0.007 0.000 2.032 103 K HA -0.110 4.214 4.320 0.007 0.000 0.209 103 K C 2.279 178.872 176.600 -0.012 0.000 1.048 103 K CA 1.430 57.719 56.287 0.004 0.000 0.927 103 K CB -0.185 32.313 32.500 -0.004 0.000 0.712 103 K HN 0.163 nan 8.250 nan 0.000 0.441 104 N N 0.886 119.563 118.700 -0.038 0.000 2.188 104 N HA -0.109 4.635 4.740 0.007 0.000 0.184 104 N C 1.440 176.902 175.510 -0.080 0.000 1.018 104 N CA 0.934 53.942 53.050 -0.069 0.000 0.858 104 N CB -0.403 38.026 38.487 -0.098 0.000 0.989 104 N HN 0.169 nan 8.380 nan 0.000 0.426 105 N N 1.163 119.825 118.700 -0.063 0.000 2.120 105 N HA -0.166 4.578 4.740 0.007 0.000 0.188 105 N C 1.667 177.119 175.510 -0.097 0.000 1.024 105 N CA 0.708 53.689 53.050 -0.116 0.000 0.852 105 N CB -0.353 38.118 38.487 -0.028 0.000 1.003 105 N HN 0.476 nan 8.380 nan 0.000 0.424 106 Q N 0.747 120.584 119.800 0.063 0.000 2.061 106 Q HA -0.208 4.136 4.340 0.007 0.000 0.204 106 Q C 2.072 178.090 176.000 0.030 0.000 0.984 106 Q CA 1.611 57.484 55.803 0.117 0.000 0.846 106 Q CB -0.075 28.730 28.738 0.112 0.000 0.902 106 Q HN 0.436 nan 8.270 nan 0.000 0.421 107 Q N -0.517 119.278 119.800 -0.008 0.000 2.079 107 Q HA -0.136 4.208 4.340 0.007 0.000 0.200 107 Q C 2.015 177.990 176.000 -0.043 0.000 0.974 107 Q CA 1.673 57.460 55.803 -0.026 0.000 0.840 107 Q CB 0.138 28.851 28.738 -0.042 0.000 0.898 107 Q HN 0.336 nan 8.270 nan 0.000 0.430 108 V N 0.568 120.437 119.914 -0.076 0.000 2.307 108 V HA -0.251 3.873 4.120 0.007 0.000 0.245 108 V C 2.384 178.440 176.094 -0.063 0.000 1.045 108 V CA 1.440 63.702 62.300 -0.064 0.000 1.024 108 V CB -0.406 31.355 31.823 -0.104 0.000 0.651 108 V HN 0.476 nan 8.190 nan 0.000 0.449 109 M N -0.219 119.290 119.600 -0.150 0.000 2.175 109 M HA -0.045 4.439 4.480 0.007 0.000 0.264 109 M C 2.384 178.676 176.300 -0.014 0.000 1.063 109 M CA 1.942 57.145 55.300 -0.162 0.000 1.119 109 M CB -1.366 30.954 32.600 -0.466 0.000 1.377 109 M HN 0.406 nan 8.290 nan 0.000 0.415 110 A N 0.293 123.124 122.820 0.019 0.000 1.898 110 A HA 0.011 4.335 4.320 0.007 0.000 0.216 110 A C 2.424 180.018 177.584 0.015 0.000 1.181 110 A CA 1.913 53.973 52.037 0.039 0.000 0.620 110 A CB -1.353 17.669 19.000 0.038 0.000 0.819 110 A HN 0.495 nan 8.150 nan 0.000 0.442 111 G N -0.458 108.343 108.800 0.002 0.000 2.402 111 G HA2 -0.069 3.895 3.960 0.007 0.000 0.216 111 G HA3 -0.069 3.895 3.960 0.007 0.000 0.216 111 G C 1.378 176.250 174.900 -0.047 0.000 1.162 111 G CA 1.030 46.127 45.100 -0.004 0.000 0.777 111 G HN 0.320 nan 8.290 nan 0.000 0.539 112 L N 1.786 122.963 121.223 -0.076 0.000 2.046 112 L HA -0.053 4.291 4.340 0.007 0.000 0.208 112 L C 3.346 180.205 176.870 -0.019 0.000 1.077 112 L CA 2.315 57.045 54.840 -0.182 0.000 0.747 112 L CB -1.384 40.594 42.059 -0.135 0.000 0.896 112 L HN 0.470 nan 8.230 nan 0.000 0.432 113 T N -2.700 111.899 114.554 0.075 0.000 2.759 113 T HA -0.274 4.080 4.350 0.007 0.000 0.269 113 T C 2.057 176.804 174.700 0.079 0.000 1.042 113 T CA 1.322 63.502 62.100 0.133 0.000 1.140 113 T CB -0.323 68.609 68.868 0.106 0.000 0.864 113 T HN 0.098 nan 8.240 nan 0.000 0.455 114 R N 0.346 120.861 120.500 0.025 0.000 2.092 114 R HA -0.039 4.305 4.340 0.007 0.000 0.231 114 R C 2.133 178.412 176.300 -0.035 0.000 1.119 114 R CA 1.309 57.407 56.100 -0.002 0.000 0.970 114 R CB -1.487 28.808 30.300 -0.009 0.000 0.864 114 R HN 0.590 nan 8.270 nan 0.000 0.440 115 Y N -0.061 120.082 120.300 -0.261 0.000 2.165 115 Y HA -0.171 4.383 4.550 0.007 0.000 0.286 115 Y C 1.316 176.966 175.900 -0.417 0.000 1.155 115 Y CA 1.960 59.796 58.100 -0.441 0.000 1.164 115 Y CB -0.356 37.673 38.460 -0.718 0.000 0.978 115 Y HN 0.078 nan 8.280 nan 0.000 0.513 116 F N -0.469 119.421 119.950 -0.099 0.000 2.558 116 F HA 0.129 4.660 4.527 0.007 0.000 0.298 116 F C 2.420 178.123 175.800 -0.162 0.000 1.119 116 F CA 0.654 58.538 58.000 -0.193 0.000 1.451 116 F CB -1.028 37.902 39.000 -0.117 0.000 1.091 116 F HN 0.141 nan 8.300 nan 0.000 0.563 117 A N 0.142 122.983 122.820 0.035 0.000 2.016 117 A HA 0.396 4.720 4.320 0.007 0.000 0.217 117 A C 1.656 179.210 177.584 -0.051 0.000 1.162 117 A CA 0.915 52.950 52.037 -0.003 0.000 0.662 117 A CB -1.158 17.845 19.000 0.004 0.000 0.812 117 A HN 0.501 nan 8.150 nan 0.000 0.450 118 G N -0.749 107.985 108.800 -0.111 0.000 2.846 118 G HA2 -0.150 3.814 3.960 0.007 0.000 0.660 118 G HA3 -0.150 3.814 3.960 0.007 0.000 0.660 118 G C -0.383 174.467 174.900 -0.084 0.000 1.464 118 G CA -0.134 44.879 45.100 -0.145 0.000 0.891 118 G HN 0.427 nan 8.290 nan 0.000 0.552 119 E N 1.428 121.577 120.200 -0.086 0.000 2.493 119 E HA 0.067 4.421 4.350 0.007 0.000 0.255 119 E C -0.526 176.125 176.600 0.084 0.000 0.999 119 E CA -0.613 55.790 56.400 0.006 0.000 0.934 119 E CB 0.916 30.620 29.700 0.007 0.000 0.940 119 E HN 0.261 nan 8.360 nan 0.000 0.473 120 P HA -0.077 nan 4.420 nan 0.000 0.226 120 P C 0.302 177.605 177.300 0.005 0.000 1.153 120 P CA 0.732 63.844 63.100 0.020 0.000 0.777 120 P CB 0.486 32.190 31.700 0.006 0.000 0.794 121 N N -0.792 117.921 118.700 0.021 0.000 2.270 121 N HA 0.089 4.833 4.740 0.007 0.000 0.198 121 N C -0.365 174.910 175.510 -0.391 0.000 1.117 121 N CA 0.213 53.175 53.050 -0.147 0.000 0.845 121 N CB -0.100 38.284 38.487 -0.172 0.000 0.980 121 N HN 0.215 nan 8.380 nan 0.000 0.486 122 F N 1.539 121.430 119.950 -0.100 0.000 2.366 122 F HA 0.241 4.772 4.527 0.007 0.000 0.366 122 F C 1.166 176.848 175.800 -0.196 0.000 1.096 122 F CA -1.093 56.798 58.000 -0.181 0.000 1.060 122 F CB 0.849 39.745 39.000 -0.173 0.000 1.282 122 F HN -0.070 nan 8.300 nan 0.000 0.450 123 N N 2.412 121.041 118.700 -0.119 0.000 2.398 123 N HA -0.031 4.713 4.740 0.007 0.000 0.188 123 N C 0.220 175.649 175.510 -0.136 0.000 1.122 123 N CA 0.094 53.084 53.050 -0.100 0.000 0.866 123 N CB -0.329 38.106 38.487 -0.085 0.000 0.970 123 N HN 0.441 nan 8.380 nan 0.000 0.462 124 I N -2.543 117.863 120.570 -0.273 0.000 3.269 124 I HA 0.624 4.798 4.170 0.007 0.000 0.287 124 I C 1.339 177.302 176.117 -0.256 0.000 1.152 124 I CA -0.139 60.916 61.300 -0.408 0.000 1.263 124 I CB -0.239 37.077 38.000 -1.141 0.000 1.439 124 I HN 0.238 nan 8.210 nan 0.000 0.637 125 G N 1.652 110.373 108.800 -0.132 0.000 2.539 125 G HA2 -0.154 3.810 3.960 0.007 0.000 0.256 125 G HA3 -0.154 3.810 3.960 0.007 0.000 0.256 125 G C -0.756 174.242 174.900 0.164 0.000 1.233 125 G CA 0.526 45.654 45.100 0.046 0.000 0.936 125 G HN 1.915 nan 8.290 nan 0.000 0.571 126 Y N -2.583 117.726 120.300 0.014 0.000 2.609 126 Y HA 0.731 5.285 4.550 0.007 0.000 0.336 126 Y C -0.425 175.501 175.900 0.042 0.000 1.129 126 Y CA -1.921 56.221 58.100 0.070 0.000 1.040 126 Y CB 1.052 39.575 38.460 0.106 0.000 1.310 126 Y HN 0.639 nan 8.280 nan 0.000 0.460 127 I N 3.380 123.935 120.570 -0.026 0.000 2.337 127 I HA 0.147 4.321 4.170 0.007 0.000 0.291 127 I C -0.082 176.023 176.117 -0.020 0.000 1.046 127 I CA -0.204 61.025 61.300 -0.117 0.000 1.324 127 I CB 0.505 38.498 38.000 -0.012 0.000 1.409 127 I HN 0.740 nan 8.210 nan 0.000 0.494 128 D N 4.667 124.953 120.400 -0.191 0.000 2.210 128 D HA 0.090 4.734 4.640 0.007 0.000 0.249 128 D C 1.119 177.524 176.300 0.174 0.000 1.078 128 D CA -0.143 53.900 54.000 0.070 0.000 0.875 128 D CB 1.975 42.750 40.800 -0.042 0.000 1.175 128 D HN 0.656 nan 8.370 nan 0.000 0.440 129 T N 0.785 115.479 114.554 0.233 0.000 3.051 129 T HA -0.118 4.236 4.350 0.007 0.000 0.269 129 T C 1.458 176.475 174.700 0.527 0.000 1.127 129 T CA 0.274 62.518 62.100 0.239 0.000 1.107 129 T CB -0.162 68.810 68.868 0.174 0.000 0.898 129 T HN 0.627 nan 8.240 nan 0.000 0.517 130 W N 0.842 122.298 121.300 0.261 0.000 2.678 130 W HA 0.453 5.117 4.660 0.007 0.000 0.282 130 W C 1.932 178.549 176.519 0.163 0.000 1.137 130 W CA -0.108 57.362 57.345 0.209 0.000 1.515 130 W CB 0.068 29.590 29.460 0.104 0.000 1.101 130 W HN 0.103 nan 8.180 nan 0.000 0.564 131 M N 1.005 120.310 119.600 -0.492 0.000 2.495 131 M HA 0.229 4.713 4.480 0.007 0.000 0.237 131 M C 1.246 177.103 176.300 -0.739 0.000 1.131 131 M CA 1.094 55.825 55.300 -0.947 0.000 1.032 131 M CB -0.321 31.557 32.600 -1.203 0.000 1.513 131 M HN 0.273 nan 8.290 nan 0.000 0.488 132 G N 1.509 109.870 108.800 -0.731 0.000 2.547 132 G HA2 -0.329 3.635 3.960 0.007 0.000 0.271 132 G HA3 -0.329 3.635 3.960 0.007 0.000 0.271 132 G C -0.502 174.009 174.900 -0.648 0.000 1.209 132 G CA -0.207 44.249 45.100 -1.074 0.000 0.959 132 G HN 0.372 nan 8.290 nan 0.000 0.563 133 L N 1.311 122.170 121.223 -0.606 0.000 2.534 133 L HA 0.542 4.886 4.340 0.007 0.000 0.271 133 L C 0.466 177.123 176.870 -0.355 0.000 1.178 133 L CA 0.867 55.468 54.840 -0.399 0.000 0.907 133 L CB 0.394 42.273 42.059 -0.300 0.000 1.164 133 L HN 0.737 nan 8.230 nan 0.000 0.482 134 S N 7.070 122.520 115.700 -0.418 0.000 2.500 134 S HA 0.552 5.026 4.470 0.007 0.000 0.301 134 S C -1.972 172.525 174.600 -0.172 0.000 1.092 134 S CA -0.724 57.279 58.200 -0.329 0.000 1.030 134 S CB 1.910 64.748 63.200 -0.604 0.000 1.031 134 S HN 0.606 nan 8.310 nan 0.000 0.483 135 P HA 0.152 nan 4.420 nan 0.000 0.226 135 P C -0.442 176.724 177.300 -0.224 0.000 1.161 135 P CA 0.651 63.559 63.100 -0.320 0.000 0.804 135 P CB 0.109 31.284 31.700 -0.875 0.000 0.829 136 F N -0.068 120.085 119.950 0.339 0.000 2.430 136 F HA 0.362 4.893 4.527 0.007 0.000 0.362 136 F C 1.600 177.566 175.800 0.277 0.000 1.103 136 F CA -1.453 56.711 58.000 0.274 0.000 1.045 136 F CB 0.532 39.633 39.000 0.169 0.000 1.276 136 F HN -0.260 nan 8.300 nan 0.000 0.444 137 I N 1.672 122.461 120.570 0.365 0.000 2.454 137 I HA -0.065 4.109 4.170 0.007 0.000 0.254 137 I C -0.115 175.958 176.117 -0.073 0.000 1.156 137 I CA 1.168 62.518 61.300 0.083 0.000 1.433 137 I CB 0.279 38.283 38.000 0.007 0.000 1.082 137 I HN 0.131 nan 8.210 nan 0.000 0.432 138 V N 2.792 122.734 119.914 0.047 0.000 2.378 138 V HA 0.351 4.475 4.120 0.007 0.000 0.288 138 V C -0.816 175.318 176.094 0.067 0.000 1.016 138 V CA -0.569 61.732 62.300 0.001 0.000 0.840 138 V CB 1.191 32.998 31.823 -0.027 0.000 0.994 138 V HN 0.547 nan 8.190 nan 0.000 0.431 139 N N 2.830 121.561 118.700 0.052 0.000 2.972 139 N HA 0.307 5.051 4.740 0.007 0.000 0.262 139 N C 0.433 175.933 175.510 -0.017 0.000 1.478 139 N CA -0.841 52.241 53.050 0.054 0.000 0.841 139 N CB 0.911 39.512 38.487 0.189 0.000 1.512 139 N HN 0.306 nan 8.380 nan 0.000 0.548 140 Q N -0.157 119.618 119.800 -0.042 0.000 2.451 140 Q HA 0.142 4.486 4.340 0.007 0.000 0.206 140 Q C 0.510 176.428 176.000 -0.136 0.000 0.947 140 Q CA 0.968 56.728 55.803 -0.071 0.000 0.937 140 Q CB -0.010 28.693 28.738 -0.058 0.000 1.025 140 Q HN 0.864 nan 8.270 nan 0.000 0.511 141 I N -0.000 120.496 120.570 -0.123 0.000 3.971 141 I HA 0.110 4.284 4.170 0.007 0.000 0.303 141 I C 0.046 176.176 176.117 0.021 0.000 1.233 141 I CA 0.326 61.550 61.300 -0.128 0.000 1.346 141 I CB 0.568 38.368 38.000 -0.334 0.000 1.273 141 I HN 0.239 nan 8.210 nan 0.000 0.448 142 N N 0.302 119.098 118.700 0.160 0.000 3.587 142 N HA 0.513 5.257 4.740 0.007 0.000 0.339 142 N C -0.184 175.417 175.510 0.151 0.000 1.636 142 N CA 0.403 53.594 53.050 0.234 0.000 0.788 142 N CB 0.615 39.420 38.487 0.530 0.000 2.205 142 N HN 0.236 nan 8.380 nan 0.000 0.600 143 G N -1.326 107.570 108.800 0.161 0.000 2.661 143 G HA2 -0.071 3.893 3.960 0.007 0.000 0.685 143 G HA3 -0.071 3.893 3.960 0.007 0.000 0.685 143 G C -2.290 172.478 174.900 -0.221 0.000 1.298 143 G CA -0.187 44.840 45.100 -0.123 0.000 0.855 143 G HN 0.568 nan 8.290 nan 0.000 0.560 144 P HA -0.045 nan 4.420 nan 0.000 0.217 144 P C 2.116 179.314 177.300 -0.170 0.000 1.150 144 P CA 1.280 64.192 63.100 -0.314 0.000 0.832 144 P CB 0.059 31.395 31.700 -0.608 0.000 0.787 145 L N -1.531 119.567 121.223 -0.208 0.000 2.465 145 L HA -0.020 4.324 4.340 0.007 0.000 0.224 145 L C 2.485 179.411 176.870 0.092 0.000 1.145 145 L CA 0.789 55.573 54.840 -0.093 0.000 0.834 145 L CB -0.514 41.385 42.059 -0.266 0.000 0.944 145 L HN -0.098 nan 8.230 nan 0.000 0.451 146 I N -1.068 119.476 120.570 -0.043 0.000 2.810 146 I HA -0.083 4.091 4.170 0.007 0.000 0.262 146 I C 1.650 177.802 176.117 0.058 0.000 1.131 146 I CA 0.574 61.837 61.300 -0.063 0.000 1.453 146 I CB -0.017 37.799 38.000 -0.306 0.000 1.161 146 I HN 0.106 nan 8.210 nan 0.000 0.444 147 D N 0.961 121.393 120.400 0.054 0.000 2.249 147 D HA 0.038 4.682 4.640 0.007 0.000 0.205 147 D C 2.257 178.639 176.300 0.136 0.000 0.962 147 D CA 0.982 55.037 54.000 0.092 0.000 0.860 147 D CB 0.228 41.089 40.800 0.102 0.000 0.955 147 D HN 0.266 nan 8.370 nan 0.000 0.505 148 I N 1.347 122.009 120.570 0.154 0.000 2.202 148 I HA -0.165 4.009 4.170 0.007 0.000 0.242 148 I C -0.701 175.631 176.117 0.358 0.000 1.091 148 I CA 1.019 62.449 61.300 0.218 0.000 1.368 148 I CB -1.053 37.039 38.000 0.153 0.000 1.058 148 I HN -0.033 nan 8.210 nan 0.000 0.410 149 P HA -0.129 nan 4.420 nan 0.000 0.218 149 P C 1.415 178.865 177.300 0.250 0.000 1.149 149 P CA 1.405 64.773 63.100 0.446 0.000 0.817 149 P CB -0.087 31.809 31.700 0.327 0.000 0.785 150 R N -0.645 119.965 120.500 0.184 0.000 2.081 150 R HA -0.068 4.276 4.340 0.007 0.000 0.235 150 R C 2.103 178.480 176.300 0.130 0.000 1.131 150 R CA 1.236 57.403 56.100 0.112 0.000 0.960 150 R CB -1.219 29.119 30.300 0.064 0.000 0.856 150 R HN 0.093 nan 8.270 nan 0.000 0.436 151 V N 1.241 121.247 119.914 0.154 0.000 2.343 151 V HA -0.261 3.863 4.120 0.007 0.000 0.247 151 V C 2.297 178.519 176.094 0.213 0.000 1.051 151 V CA 1.764 64.152 62.300 0.148 0.000 1.036 151 V CB -0.357 31.547 31.823 0.135 0.000 0.654 151 V HN 0.334 nan 8.190 nan 0.000 0.451 152 M N -0.843 118.940 119.600 0.304 0.000 2.175 152 M HA -0.221 4.263 4.480 0.007 0.000 0.264 152 M C 2.281 178.881 176.300 0.499 0.000 1.063 152 M CA 1.817 57.371 55.300 0.424 0.000 1.119 152 M CB -0.372 32.526 32.600 0.496 0.000 1.377 152 M HN 0.359 nan 8.290 nan 0.000 0.415 153 Q N -0.279 119.756 119.800 0.391 0.000 2.269 153 Q HA -0.044 4.300 4.340 0.007 0.000 0.201 153 Q C 1.174 177.283 176.000 0.182 0.000 0.946 153 Q CA 1.112 57.099 55.803 0.306 0.000 0.877 153 Q CB 0.068 28.913 28.738 0.179 0.000 0.963 153 Q HN 0.615 nan 8.270 nan 0.000 0.472 154 N N -0.502 118.286 118.700 0.146 0.000 2.545 154 N HA -0.015 4.729 4.740 0.007 0.000 0.190 154 N C 0.747 176.322 175.510 0.108 0.000 1.043 154 N CA 0.685 53.795 53.050 0.099 0.000 0.879 154 N CB 0.652 39.165 38.487 0.044 0.000 1.210 154 N HN 0.059 nan 8.380 nan 0.000 0.437 155 D N 0.065 120.534 120.400 0.115 0.000 2.422 155 D HA -0.036 4.608 4.640 0.007 0.000 0.218 155 D C 0.251 176.617 176.300 0.109 0.000 1.047 155 D CA 0.166 54.224 54.000 0.097 0.000 0.885 155 D CB 0.316 41.158 40.800 0.070 0.000 1.035 155 D HN 0.197 nan 8.370 nan 0.000 0.502 156 Q N 2.702 122.593 119.800 0.152 0.000 2.271 156 Q HA 0.116 4.460 4.340 0.007 0.000 0.273 156 Q C -2.366 173.709 176.000 0.124 0.000 1.051 156 Q CA -1.388 54.513 55.803 0.164 0.000 0.901 156 Q CB 1.055 29.950 28.738 0.261 0.000 1.174 156 Q HN -0.055 nan 8.270 nan 0.000 0.385 157 P HA 0.144 nan 4.420 nan 0.000 0.275 157 P C -0.833 176.483 177.300 0.026 0.000 1.227 157 P CA 0.163 63.292 63.100 0.048 0.000 0.781 157 P CB 0.730 32.456 31.700 0.043 0.000 0.906 158 I N 2.625 123.175 120.570 -0.034 0.000 2.698 158 I HA 0.149 4.323 4.170 0.007 0.000 0.276 158 I C 0.910 176.965 176.117 -0.104 0.000 1.166 158 I CA -0.092 61.153 61.300 -0.093 0.000 1.101 158 I CB 1.078 38.935 38.000 -0.238 0.000 1.305 158 I HN 0.397 nan 8.210 nan 0.000 0.526 159 T N -1.757 112.765 114.554 -0.053 0.000 3.041 159 T HA 0.189 4.543 4.350 0.007 0.000 0.276 159 T C 0.562 175.242 174.700 -0.033 0.000 0.948 159 T CA 0.274 62.346 62.100 -0.047 0.000 0.885 159 T CB 0.442 69.296 68.868 -0.024 0.000 1.175 159 T HN 0.444 nan 8.240 nan 0.000 0.529 160 T N -1.803 112.740 114.554 -0.017 0.000 2.838 160 T HA 0.527 4.881 4.350 0.007 0.000 0.292 160 T C 0.701 175.409 174.700 0.014 0.000 1.113 160 T CA -0.549 61.549 62.100 -0.002 0.000 1.008 160 T CB 2.318 71.192 68.868 0.011 0.000 1.259 160 T HN -0.016 nan 8.240 nan 0.000 0.520 161 E N 0.207 120.422 120.200 0.024 0.000 2.077 161 E HA -0.184 4.170 4.350 0.007 0.000 0.193 161 E C 1.861 178.499 176.600 0.064 0.000 0.989 161 E CA 1.331 57.759 56.400 0.048 0.000 0.800 161 E CB -0.050 29.674 29.700 0.041 0.000 0.746 161 E HN 0.620 nan 8.360 nan 0.000 0.452 162 K N 1.053 121.484 120.400 0.051 0.000 2.057 162 K HA -0.178 4.146 4.320 0.007 0.000 0.207 162 K C 1.782 178.428 176.600 0.076 0.000 1.049 162 K CA 1.839 58.160 56.287 0.057 0.000 0.931 162 K CB -0.007 32.519 32.500 0.043 0.000 0.714 162 K HN 0.138 nan 8.250 nan 0.000 0.440 163 E N -0.493 119.749 120.200 0.071 0.000 2.150 163 E HA -0.134 4.220 4.350 0.007 0.000 0.193 163 E C 1.903 178.588 176.600 0.142 0.000 0.985 163 E CA 0.867 57.321 56.400 0.089 0.000 0.814 163 E CB -0.121 29.613 29.700 0.056 0.000 0.752 163 E HN 0.468 nan 8.360 nan 0.000 0.466 164 A N 1.093 124.002 122.820 0.148 0.000 1.902 164 A HA -0.149 4.175 4.320 0.007 0.000 0.217 164 A C 2.154 179.903 177.584 0.274 0.000 1.181 164 A CA 0.984 53.195 52.037 0.290 0.000 0.623 164 A CB -0.553 18.628 19.000 0.300 0.000 0.818 164 A HN 0.133 nan 8.150 nan 0.000 0.443 165 L N -0.443 120.883 121.223 0.171 0.000 2.093 165 L HA -0.178 4.166 4.340 0.007 0.000 0.208 165 L C 1.979 178.922 176.870 0.122 0.000 1.085 165 L CA 1.250 56.162 54.840 0.120 0.000 0.755 165 L CB -0.663 41.445 42.059 0.082 0.000 0.904 165 L HN 0.300 nan 8.230 nan 0.000 0.435 166 D N -0.730 119.753 120.400 0.138 0.000 2.149 166 D HA -0.247 4.397 4.640 0.007 0.000 0.198 166 D C 1.892 178.298 176.300 0.178 0.000 0.990 166 D CA 1.339 55.419 54.000 0.134 0.000 0.839 166 D CB -0.176 40.702 40.800 0.130 0.000 0.948 166 D HN 0.316 nan 8.370 nan 0.000 0.460 167 Y N 1.163 121.513 120.300 0.083 0.000 2.145 167 Y HA -0.149 4.405 4.550 0.007 0.000 0.286 167 Y C 2.294 178.167 175.900 -0.046 0.000 1.145 167 Y CA 1.213 59.350 58.100 0.062 0.000 1.148 167 Y CB -0.322 38.232 38.460 0.156 0.000 0.981 167 Y HN -0.118 nan 8.280 nan 0.000 0.507 168 I N -1.160 119.466 120.570 0.094 0.000 2.208 168 I HA -0.332 3.842 4.170 0.007 0.000 0.245 168 I C 2.202 178.278 176.117 -0.068 0.000 1.097 168 I CA 1.322 62.579 61.300 -0.072 0.000 1.363 168 I CB -0.533 37.435 38.000 -0.054 0.000 1.051 168 I HN 0.064 nan 8.210 nan 0.000 0.413 169 V N 0.527 120.441 119.914 0.000 0.000 2.407 169 V HA -0.252 3.872 4.120 0.007 0.000 0.248 169 V C 2.550 178.657 176.094 0.022 0.000 1.055 169 V CA 1.737 64.047 62.300 0.016 0.000 1.049 169 V CB -0.735 31.113 31.823 0.041 0.000 0.662 169 V HN 0.353 nan 8.190 nan 0.000 0.455 170 R N -0.387 120.119 120.500 0.010 0.000 2.073 170 R HA -0.077 4.267 4.340 0.007 0.000 0.234 170 R C 2.317 178.656 176.300 0.065 0.000 1.134 170 R CA 1.411 57.537 56.100 0.043 0.000 0.952 170 R CB -0.435 29.890 30.300 0.041 0.000 0.850 170 R HN 0.402 nan 8.270 nan 0.000 0.433 171 L N -0.395 120.715 121.223 -0.188 0.000 2.127 171 L HA -0.140 4.204 4.340 0.007 0.000 0.211 171 L C 2.353 179.173 176.870 -0.083 0.000 1.089 171 L CA 1.343 55.954 54.840 -0.381 0.000 0.757 171 L CB -0.625 41.035 42.059 -0.664 0.000 0.899 171 L HN 0.405 nan 8.230 nan 0.000 0.434 172 G N -1.191 107.596 108.800 -0.022 0.000 2.679 172 G HA2 -0.160 3.804 3.960 0.007 0.000 0.212 172 G HA3 -0.160 3.804 3.960 0.007 0.000 0.212 172 G C 1.323 176.292 174.900 0.116 0.000 1.137 172 G CA 0.036 45.152 45.100 0.027 0.000 0.787 172 G HN 0.438 nan 8.290 nan 0.000 0.534 173 Q N -0.848 119.072 119.800 0.201 0.000 2.247 173 Q HA 0.254 4.598 4.340 0.007 0.000 0.204 173 Q C 1.132 177.309 176.000 0.296 0.000 0.872 173 Q CA -0.500 55.450 55.803 0.245 0.000 0.951 173 Q CB 0.158 29.053 28.738 0.262 0.000 1.099 173 Q HN 0.405 nan 8.270 nan 0.000 0.501 174 F N 2.255 122.255 119.950 0.083 0.000 2.365 174 F HA -0.187 4.344 4.527 0.007 0.000 0.300 174 F C 1.965 177.827 175.800 0.103 0.000 1.090 174 F CA 1.235 59.300 58.000 0.109 0.000 1.408 174 F CB -0.145 38.930 39.000 0.126 0.000 1.060 174 F HN 0.255 nan 8.300 nan 0.000 0.534 175 D N 0.416 120.953 120.400 0.228 0.000 2.087 175 D HA -0.273 4.371 4.640 0.007 0.000 0.192 175 D C 2.013 178.360 176.300 0.078 0.000 0.993 175 D CA 1.621 55.700 54.000 0.130 0.000 0.828 175 D CB -0.908 39.947 40.800 0.092 0.000 0.968 175 D HN 0.271 nan 8.370 nan 0.000 0.448 176 K N -0.300 120.142 120.400 0.069 0.000 2.097 176 K HA -0.096 4.228 4.320 0.007 0.000 0.205 176 K C 2.335 179.003 176.600 0.113 0.000 1.050 176 K CA 0.521 56.803 56.287 -0.008 0.000 0.938 176 K CB -0.243 32.138 32.500 -0.199 0.000 0.718 176 K HN 0.099 nan 8.250 nan 0.000 0.442 177 L N 1.220 122.588 121.223 0.242 0.000 1.978 177 L HA -0.231 4.113 4.340 0.007 0.000 0.218 177 L C 2.215 179.108 176.870 0.038 0.000 1.075 177 L CA 2.449 57.383 54.840 0.156 0.000 0.767 177 L CB -0.953 41.003 42.059 -0.171 0.000 0.890 177 L HN 0.235 nan 8.230 nan 0.000 0.434 178 A N -0.706 122.099 122.820 -0.025 0.000 1.902 178 A HA -0.103 4.221 4.320 0.007 0.000 0.217 178 A C 2.443 180.011 177.584 -0.026 0.000 1.181 178 A CA 2.108 54.105 52.037 -0.066 0.000 0.623 178 A CB -1.307 17.659 19.000 -0.057 0.000 0.818 178 A HN 0.658 nan 8.150 nan 0.000 0.443 179 A N -0.278 122.542 122.820 -0.000 0.000 1.902 179 A HA -0.120 4.204 4.320 0.007 0.000 0.217 179 A C 2.463 180.050 177.584 0.005 0.000 1.181 179 A CA 2.646 54.680 52.037 -0.005 0.000 0.623 179 A CB -1.403 17.587 19.000 -0.016 0.000 0.818 179 A HN 0.790 nan 8.150 nan 0.000 0.443 180 T N -1.700 112.872 114.554 0.029 0.000 2.857 180 T HA -0.037 4.317 4.350 0.007 0.000 0.266 180 T C 1.844 176.596 174.700 0.086 0.000 1.048 180 T CA 1.323 63.462 62.100 0.065 0.000 1.139 180 T CB -0.568 68.372 68.868 0.121 0.000 0.874 180 T HN 0.323 nan 8.240 nan 0.000 0.455 181 I N 0.862 121.469 120.570 0.062 0.000 2.163 181 I HA -0.094 4.080 4.170 0.007 0.000 0.243 181 I C 2.549 178.661 176.117 -0.008 0.000 1.085 181 I CA 1.471 62.766 61.300 -0.007 0.000 1.347 181 I CB -0.361 37.566 38.000 -0.122 0.000 1.044 181 I HN 0.215 nan 8.210 nan 0.000 0.408 182 I N 0.419 120.980 120.570 -0.014 0.000 2.286 182 I HA -0.302 3.872 4.170 0.007 0.000 0.248 182 I C 2.597 178.722 176.117 0.014 0.000 1.115 182 I CA 1.387 62.683 61.300 -0.006 0.000 1.392 182 I CB -0.345 37.648 38.000 -0.012 0.000 1.065 182 I HN 0.285 nan 8.210 nan 0.000 0.418 183 E N 1.088 121.300 120.200 0.020 0.000 2.118 183 E HA -0.315 4.039 4.350 0.007 0.000 0.195 183 E C 2.093 178.717 176.600 0.039 0.000 0.992 183 E CA 1.445 57.860 56.400 0.025 0.000 0.804 183 E CB 0.119 29.832 29.700 0.021 0.000 0.741 183 E HN 0.150 nan 8.360 nan 0.000 0.458 184 K N 0.868 121.301 120.400 0.055 0.000 2.062 184 K HA -0.139 4.186 4.320 0.007 0.000 0.205 184 K C 2.086 178.731 176.600 0.075 0.000 1.051 184 K CA 1.527 57.857 56.287 0.071 0.000 0.941 184 K CB -0.230 32.332 32.500 0.103 0.000 0.719 184 K HN 0.110 nan 8.250 nan 0.000 0.440 185 Q N -0.417 119.423 119.800 0.066 0.000 2.096 185 Q HA -0.160 4.184 4.340 0.007 0.000 0.204 185 Q C 1.397 177.446 176.000 0.083 0.000 0.982 185 Q CA 2.131 57.985 55.803 0.085 0.000 0.850 185 Q CB -0.122 28.649 28.738 0.054 0.000 0.901 185 Q HN 0.351 nan 8.270 nan 0.000 0.422 186 T N 0.432 115.019 114.554 0.056 0.000 2.777 186 T HA -0.091 4.263 4.350 0.007 0.000 0.266 186 T C 1.747 176.480 174.700 0.054 0.000 1.040 186 T CA 1.189 63.318 62.100 0.048 0.000 1.141 186 T CB -0.343 68.543 68.868 0.030 0.000 0.868 186 T HN 0.479 nan 8.240 nan 0.000 0.444 187 A N 1.942 124.793 122.820 0.051 0.000 1.902 187 A HA -0.165 4.159 4.320 0.007 0.000 0.217 187 A C 2.083 179.704 177.584 0.062 0.000 1.181 187 A CA 1.900 53.964 52.037 0.045 0.000 0.623 187 A CB -0.704 18.315 19.000 0.032 0.000 0.818 187 A HN 0.357 nan 8.150 nan 0.000 0.443 188 D N 0.115 120.570 120.400 0.091 0.000 2.097 188 D HA -0.058 4.586 4.640 0.007 0.000 0.195 188 D C 2.214 178.634 176.300 0.199 0.000 0.989 188 D CA 1.707 55.796 54.000 0.148 0.000 0.827 188 D CB -0.519 40.420 40.800 0.231 0.000 0.966 188 D HN 0.422 nan 8.370 nan 0.000 0.456 189 A N 0.800 123.715 122.820 0.159 0.000 1.972 189 A HA -0.006 4.318 4.320 0.007 0.000 0.219 189 A C 2.249 179.890 177.584 0.094 0.000 1.169 189 A CA 1.919 54.032 52.037 0.127 0.000 0.635 189 A CB -0.653 18.396 19.000 0.082 0.000 0.810 189 A HN 0.225 nan 8.150 nan 0.000 0.446 190 A N 0.165 123.031 122.820 0.076 0.000 2.070 190 A HA -0.144 4.180 4.320 0.007 0.000 0.220 190 A C 1.853 179.473 177.584 0.061 0.000 1.159 190 A CA 1.445 53.516 52.037 0.055 0.000 0.656 190 A CB -0.489 18.535 19.000 0.039 0.000 0.800 190 A HN 0.793 nan 8.150 nan 0.000 0.453 191 Q N -1.201 118.650 119.800 0.085 0.000 2.211 191 Q HA 0.241 4.585 4.340 0.007 0.000 0.231 191 Q C -0.306 175.783 176.000 0.147 0.000 0.865 191 Q CA -0.213 55.645 55.803 0.092 0.000 0.997 191 Q CB -0.104 28.672 28.738 0.063 0.000 1.101 191 Q HN 0.425 nan 8.270 nan 0.000 0.468 192 N N 0.148 118.929 118.700 0.135 0.000 2.741 192 N HA -0.183 4.561 4.740 0.007 0.000 0.250 192 N C -1.555 174.066 175.510 0.186 0.000 1.115 192 N CA 1.002 54.125 53.050 0.120 0.000 0.724 192 N CB -1.113 37.424 38.487 0.083 0.000 1.090 192 N HN 0.645 nan 8.380 nan 0.000 0.558 193 W N 1.984 123.309 121.300 0.042 0.000 2.278 193 W HA 0.503 5.167 4.660 0.007 0.000 0.317 193 W C -0.935 175.647 176.519 0.105 0.000 1.030 193 W CA -0.333 57.056 57.345 0.074 0.000 1.334 193 W CB 0.394 29.898 29.460 0.074 0.000 1.215 193 W HN 0.046 nan 8.180 nan 0.000 0.405 194 L N 4.530 125.736 121.223 -0.029 0.000 2.671 194 L HA 0.701 5.045 4.340 0.007 0.000 0.259 194 L C -3.075 173.632 176.870 -0.270 0.000 1.021 194 L CA -3.189 51.652 54.840 0.001 0.000 0.871 194 L CB 0.327 42.383 42.059 -0.004 0.000 1.472 194 L HN 0.084 nan 8.230 nan 0.000 0.410 195 P HA 0.287 nan 4.420 nan 0.000 0.272 195 P C -0.211 176.742 177.300 -0.577 0.000 1.230 195 P CA -0.152 62.303 63.100 -1.076 0.000 0.788 195 P CB 0.452 31.573 31.700 -0.965 0.000 0.949 196 S N 1.102 116.480 115.700 -0.537 0.000 2.572 196 S HA 0.003 4.477 4.470 0.007 0.000 0.267 196 S C 1.179 175.632 174.600 -0.245 0.000 1.361 196 S CA -0.019 57.992 58.200 -0.315 0.000 1.009 196 S CB 0.147 63.201 63.200 -0.245 0.000 0.888 196 S HN 0.328 nan 8.310 nan 0.000 0.553 197 K N 0.517 120.816 120.400 -0.168 0.000 2.044 197 K HA -0.118 4.206 4.320 0.007 0.000 0.210 197 K C 2.051 178.582 176.600 -0.115 0.000 1.049 197 K CA 1.695 57.908 56.287 -0.123 0.000 0.927 197 K CB -0.772 31.676 32.500 -0.088 0.000 0.713 197 K HN 0.477 nan 8.250 nan 0.000 0.443 198 V N 1.226 121.074 119.914 -0.111 0.000 2.407 198 V HA -0.243 3.881 4.120 0.007 0.000 0.248 198 V C 2.141 178.170 176.094 -0.109 0.000 1.055 198 V CA 2.059 64.304 62.300 -0.092 0.000 1.049 198 V CB -0.543 31.235 31.823 -0.076 0.000 0.662 198 V HN 0.434 nan 8.190 nan 0.000 0.455 199 T N -0.149 114.309 114.554 -0.159 0.000 2.812 199 T HA -0.063 4.292 4.350 0.007 0.000 0.264 199 T C 1.899 176.507 174.700 -0.154 0.000 1.042 199 T CA 1.219 63.212 62.100 -0.179 0.000 1.140 199 T CB -0.191 68.489 68.868 -0.313 0.000 0.870 199 T HN 0.258 nan 8.240 nan 0.000 0.445 200 L N 0.708 121.828 121.223 -0.172 0.000 2.056 200 L HA -0.140 4.204 4.340 0.007 0.000 0.207 200 L C 2.856 179.686 176.870 -0.067 0.000 1.078 200 L CA 1.441 56.211 54.840 -0.117 0.000 0.749 200 L CB -0.437 41.550 42.059 -0.121 0.000 0.901 200 L HN 0.349 nan 8.230 nan 0.000 0.433 201 Q N -0.745 119.016 119.800 -0.065 0.000 2.135 201 Q HA -0.182 4.162 4.340 0.007 0.000 0.204 201 Q C 2.144 178.132 176.000 -0.020 0.000 0.981 201 Q CA 1.550 57.330 55.803 -0.039 0.000 0.856 201 Q CB -0.396 28.317 28.738 -0.041 0.000 0.902 201 Q HN 0.609 nan 8.270 nan 0.000 0.425 202 G N 0.428 109.211 108.800 -0.029 0.000 2.408 202 G HA2 -0.183 3.781 3.960 0.007 0.000 0.217 202 G HA3 -0.183 3.781 3.960 0.007 0.000 0.217 202 G C 1.457 176.377 174.900 0.033 0.000 1.150 202 G CA 0.736 45.831 45.100 -0.007 0.000 0.776 202 G HN 0.413 nan 8.290 nan 0.000 0.542 203 A N 0.943 123.774 122.820 0.019 0.000 1.877 203 A HA 0.043 4.367 4.320 0.007 0.000 0.216 203 A C 2.382 180.032 177.584 0.110 0.000 1.186 203 A CA 1.280 53.355 52.037 0.065 0.000 0.620 203 A CB -0.391 18.619 19.000 0.018 0.000 0.822 203 A HN 0.353 nan 8.150 nan 0.000 0.443 204 I N -0.364 120.236 120.570 0.051 0.000 2.163 204 I HA -0.306 3.868 4.170 0.007 0.000 0.243 204 I C 2.544 178.691 176.117 0.050 0.000 1.085 204 I CA 1.982 63.307 61.300 0.043 0.000 1.347 204 I CB -0.261 37.745 38.000 0.011 0.000 1.044 204 I HN 0.396 nan 8.210 nan 0.000 0.408 205 K N 0.459 120.888 120.400 0.049 0.000 2.063 205 K HA -0.287 4.037 4.320 0.007 0.000 0.208 205 K C 2.382 179.024 176.600 0.070 0.000 1.048 205 K CA 1.908 58.222 56.287 0.044 0.000 0.928 205 K CB -0.338 32.183 32.500 0.036 0.000 0.713 205 K HN 0.314 nan 8.250 nan 0.000 0.442 206 Y N 1.173 121.489 120.300 0.027 0.000 2.163 206 Y HA -0.144 4.410 4.550 0.007 0.000 0.288 206 Y C 1.667 177.635 175.900 0.114 0.000 1.136 206 Y CA 1.491 59.626 58.100 0.058 0.000 1.147 206 Y CB -0.166 38.323 38.460 0.049 0.000 0.987 206 Y HN -0.004 nan 8.280 nan 0.000 0.509 207 L N 0.152 121.379 121.223 0.008 0.000 2.093 207 L HA -0.185 4.159 4.340 0.007 0.000 0.208 207 L C 2.507 179.367 176.870 -0.017 0.000 1.085 207 L CA 1.460 56.306 54.840 0.010 0.000 0.755 207 L CB -0.502 41.627 42.059 0.116 0.000 0.904 207 L HN 0.126 nan 8.230 nan 0.000 0.435 208 K N 0.085 120.472 120.400 -0.022 0.000 2.025 208 K HA -0.108 4.216 4.320 0.007 0.000 0.207 208 K C 2.156 178.714 176.600 -0.071 0.000 1.049 208 K CA 1.316 57.584 56.287 -0.031 0.000 0.933 208 K CB -0.495 31.995 32.500 -0.017 0.000 0.714 208 K HN 0.381 nan 8.250 nan 0.000 0.438 209 G N 0.719 109.463 108.800 -0.094 0.000 2.450 209 G HA2 -0.277 3.687 3.960 0.007 0.000 0.220 209 G HA3 -0.277 3.687 3.960 0.007 0.000 0.220 209 G C 1.323 176.124 174.900 -0.164 0.000 1.130 209 G CA 0.481 45.511 45.100 -0.117 0.000 0.760 209 G HN 0.232 nan 8.290 nan 0.000 0.557 210 F N 2.211 121.921 119.950 -0.401 0.000 2.186 210 F HA -0.033 4.498 4.527 0.007 0.000 0.299 210 F C 2.646 178.243 175.800 -0.339 0.000 1.090 210 F CA 1.971 59.717 58.000 -0.424 0.000 1.307 210 F CB 0.047 38.682 39.000 -0.608 0.000 1.019 210 F HN 0.182 nan 8.300 nan 0.000 0.489 211 T N -3.028 111.355 114.554 -0.286 0.000 3.214 211 T HA 0.131 4.485 4.350 0.007 0.000 0.264 211 T C 1.591 176.152 174.700 -0.231 0.000 1.012 211 T CA 0.317 62.044 62.100 -0.623 0.000 0.901 211 T CB -0.557 67.794 68.868 -0.861 0.000 1.070 211 T HN 0.238 nan 8.240 nan 0.000 0.561 212 S N 0.278 115.907 115.700 -0.120 0.000 2.461 212 S HA 0.298 4.772 4.470 0.007 0.000 0.228 212 S C 1.317 175.926 174.600 0.015 0.000 1.005 212 S CA 0.039 58.213 58.200 -0.042 0.000 0.942 212 S CB -0.471 62.696 63.200 -0.055 0.000 0.776 212 S HN 0.702 nan 8.310 nan 0.000 0.514 213 G N 1.543 110.365 108.800 0.036 0.000 2.535 213 G HA2 0.494 4.458 3.960 0.007 0.000 0.303 213 G HA3 0.494 4.458 3.960 0.007 0.000 0.303 213 G C -0.225 174.775 174.900 0.166 0.000 1.237 213 G CA -0.266 44.873 45.100 0.064 0.000 0.986 213 G HN 0.526 nan 8.290 nan 0.000 0.494 214 S N -0.839 114.913 115.700 0.087 0.000 2.572 214 S HA 0.379 4.853 4.470 0.007 0.000 0.279 214 S C 1.595 176.196 174.600 0.001 0.000 1.341 214 S CA 0.293 58.520 58.200 0.044 0.000 1.043 214 S CB 1.414 64.610 63.200 -0.007 0.000 0.887 214 S HN 1.276 nan 8.310 nan 0.000 0.516 215 A N 2.103 124.762 122.820 -0.270 0.000 1.933 215 A HA -0.063 4.261 4.320 0.007 0.000 0.218 215 A C 1.962 179.452 177.584 -0.157 0.000 1.175 215 A CA 1.685 53.434 52.037 -0.481 0.000 0.628 215 A CB -1.124 17.372 19.000 -0.839 0.000 0.814 215 A HN 0.914 nan 8.150 nan 0.000 0.444 216 E N -0.179 119.951 120.200 -0.116 0.000 2.209 216 E HA -0.150 4.204 4.350 0.007 0.000 0.196 216 E C 1.531 178.130 176.600 -0.002 0.000 0.993 216 E CA 1.175 57.545 56.400 -0.049 0.000 0.819 216 E CB -0.010 29.664 29.700 -0.044 0.000 0.745 216 E HN 0.511 nan 8.360 nan 0.000 0.477 217 Q N -0.498 119.306 119.800 0.006 0.000 2.198 217 Q HA 0.081 4.425 4.340 0.007 0.000 0.209 217 Q C -0.452 175.552 176.000 0.005 0.000 0.848 217 Q CA -0.036 55.772 55.803 0.008 0.000 0.974 217 Q CB 0.220 28.952 28.738 -0.010 0.000 1.115 217 Q HN 0.406 nan 8.270 nan 0.000 0.494 218 H N 0.714 119.761 119.070 -0.037 0.000 2.690 218 H HA 0.045 4.605 4.556 0.007 0.000 0.365 218 H C -1.478 173.815 175.328 -0.058 0.000 1.142 218 H CA -1.039 54.970 56.048 -0.065 0.000 1.417 218 H CB 1.235 30.988 29.762 -0.015 0.000 1.446 218 H HN -0.147 nan 8.280 nan 0.000 0.599 219 P HA -0.203 nan 4.420 nan 0.000 0.216 219 P C 1.046 178.402 177.300 0.094 0.000 1.150 219 P CA 1.294 64.245 63.100 -0.248 0.000 0.843 219 P CB 0.004 31.421 31.700 -0.472 0.000 0.787 220 F N -0.764 119.380 119.950 0.323 0.000 2.120 220 F HA -0.200 4.331 4.527 0.007 0.000 0.300 220 F C 2.306 178.290 175.800 0.306 0.000 1.095 220 F CA 1.274 59.468 58.000 0.324 0.000 1.249 220 F CB -1.485 37.617 39.000 0.170 0.000 0.995 220 F HN -0.218 nan 8.300 nan 0.000 0.480 221 V N -0.237 119.914 119.914 0.396 0.000 2.407 221 V HA -0.224 3.900 4.120 0.007 0.000 0.245 221 V C 2.125 178.363 176.094 0.240 0.000 1.041 221 V CA 1.698 64.158 62.300 0.267 0.000 1.040 221 V CB -0.664 31.248 31.823 0.147 0.000 0.671 221 V HN 0.271 nan 8.190 nan 0.000 0.455 222 N N 0.537 119.332 118.700 0.158 0.000 2.120 222 N HA -0.129 4.615 4.740 0.007 0.000 0.188 222 N C 1.810 177.380 175.510 0.100 0.000 1.024 222 N CA 1.377 54.483 53.050 0.094 0.000 0.852 222 N CB -0.599 37.905 38.487 0.028 0.000 1.003 222 N HN 0.337 nan 8.380 nan 0.000 0.424 223 V N 0.957 120.951 119.914 0.134 0.000 2.295 223 V HA -0.197 3.927 4.120 0.007 0.000 0.246 223 V C 2.010 178.152 176.094 0.080 0.000 1.049 223 V CA 1.275 63.641 62.300 0.110 0.000 1.024 223 V CB -0.652 31.267 31.823 0.160 0.000 0.648 223 V HN 0.156 nan 8.190 nan 0.000 0.447 224 F N 1.090 121.041 119.950 0.001 0.000 2.134 224 F HA -0.186 4.345 4.527 0.007 0.000 0.299 224 F C 2.579 178.344 175.800 -0.058 0.000 1.097 224 F CA 1.751 59.683 58.000 -0.112 0.000 1.264 224 F CB -0.214 38.748 39.000 -0.063 0.000 1.001 224 F HN -0.029 nan 8.300 nan 0.000 0.479 225 R N 0.045 120.620 120.500 0.125 0.000 2.083 225 R HA -0.217 4.127 4.340 0.007 0.000 0.237 225 R C 2.286 178.539 176.300 -0.078 0.000 1.137 225 R CA 1.828 57.946 56.100 0.030 0.000 0.951 225 R CB -0.646 29.699 30.300 0.075 0.000 0.851 225 R HN 0.426 nan 8.270 nan 0.000 0.434 226 E N 1.026 121.192 120.200 -0.057 0.000 2.077 226 E HA -0.208 4.146 4.350 0.007 0.000 0.193 226 E C 1.599 178.129 176.600 -0.117 0.000 0.989 226 E CA 1.375 57.736 56.400 -0.065 0.000 0.800 226 E CB 0.208 29.889 29.700 -0.031 0.000 0.746 226 E HN 0.240 nan 8.360 nan 0.000 0.452 227 K N -0.090 120.198 120.400 -0.187 0.000 2.076 227 K HA -0.080 4.244 4.320 0.007 0.000 0.204 227 K C 2.154 178.573 176.600 -0.300 0.000 1.051 227 K CA 0.783 56.934 56.287 -0.228 0.000 0.949 227 K CB -0.062 32.286 32.500 -0.253 0.000 0.726 227 K HN 0.134 nan 8.250 nan 0.000 0.443 228 I N 1.899 122.187 120.570 -0.470 0.000 2.546 228 I HA -0.181 3.993 4.170 0.007 0.000 0.255 228 I C 2.082 178.066 176.117 -0.222 0.000 1.163 228 I CA 1.251 62.277 61.300 -0.456 0.000 1.457 228 I CB -0.059 37.495 38.000 -0.744 0.000 1.092 228 I HN 0.066 nan 8.210 nan 0.000 0.434 229 E N 1.051 121.151 120.200 -0.168 0.000 2.209 229 E HA -0.235 4.119 4.350 0.007 0.000 0.196 229 E C 1.864 178.416 176.600 -0.080 0.000 0.993 229 E CA 1.531 57.875 56.400 -0.094 0.000 0.819 229 E CB -0.169 29.489 29.700 -0.069 0.000 0.745 229 E HN 0.447 nan 8.360 nan 0.000 0.477 230 K N -0.576 119.767 120.400 -0.095 0.000 2.487 230 K HA 0.110 4.434 4.320 0.007 0.000 0.192 230 K C -0.290 176.271 176.600 -0.066 0.000 1.027 230 K CA 0.117 56.362 56.287 -0.070 0.000 1.054 230 K CB 0.716 33.176 32.500 -0.067 0.000 0.824 230 K HN -0.055 nan 8.250 nan 0.000 0.510 231 V N 2.930 122.796 119.914 -0.080 0.000 2.356 231 V HA -0.006 4.118 4.120 0.007 0.000 0.258 231 V C 0.394 176.463 176.094 -0.042 0.000 1.065 231 V CA 0.055 62.317 62.300 -0.063 0.000 0.935 231 V CB 0.736 32.512 31.823 -0.079 0.000 1.061 231 V HN 0.133 nan 8.190 nan 0.000 0.484 232 D N 2.568 122.949 120.400 -0.031 0.000 2.269 232 D HA -0.101 4.543 4.640 0.007 0.000 0.208 232 D C 2.209 178.500 176.300 -0.016 0.000 0.963 232 D CA 1.521 55.508 54.000 -0.022 0.000 0.864 232 D CB 0.163 40.952 40.800 -0.018 0.000 0.936 232 D HN 0.697 nan 8.370 nan 0.000 0.505 233 S N -0.567 115.124 115.700 -0.015 0.000 2.522 233 S HA 0.014 4.488 4.470 0.007 0.000 0.227 233 S C 0.933 175.530 174.600 -0.005 0.000 0.986 233 S CA 0.020 58.215 58.200 -0.008 0.000 0.929 233 S CB -0.085 63.112 63.200 -0.006 0.000 0.769 233 S HN 0.106 nan 8.310 nan 0.000 0.529 234 L N 2.716 123.933 121.223 -0.009 0.000 2.322 234 L HA 0.425 4.769 4.340 0.007 0.000 0.279 234 L C 0.823 177.692 176.870 -0.003 0.000 1.036 234 L CA -0.771 54.067 54.840 -0.003 0.000 0.807 234 L CB 1.597 43.654 42.059 -0.004 0.000 1.226 234 L HN 0.188 nan 8.230 nan 0.000 0.433 235 T N -2.071 112.484 114.554 0.003 0.000 2.788 235 T HA 0.067 4.421 4.350 0.007 0.000 0.287 235 T C 1.206 175.908 174.700 0.004 0.000 1.007 235 T CA -0.378 61.724 62.100 0.003 0.000 1.005 235 T CB 0.971 69.843 68.868 0.005 0.000 1.012 235 T HN 0.652 nan 8.240 nan 0.000 0.530 236 T N 0.295 114.851 114.554 0.003 0.000 2.737 236 T HA -0.164 4.190 4.350 0.007 0.000 0.269 236 T C 1.738 176.446 174.700 0.013 0.000 1.040 236 T CA 1.826 63.929 62.100 0.005 0.000 1.142 236 T CB -0.430 68.440 68.868 0.004 0.000 0.861 236 T HN 0.876 nan 8.240 nan 0.000 0.456 237 E N 1.109 121.316 120.200 0.013 0.000 2.072 237 E HA -0.198 4.156 4.350 0.007 0.000 0.191 237 E C 2.174 178.789 176.600 0.024 0.000 0.985 237 E CA 1.016 57.426 56.400 0.016 0.000 0.801 237 E CB -0.152 29.555 29.700 0.012 0.000 0.750 237 E HN 0.574 nan 8.360 nan 0.000 0.452 238 Q N 0.444 120.258 119.800 0.024 0.000 2.084 238 Q HA -0.147 4.197 4.340 0.007 0.000 0.202 238 Q C 2.247 178.279 176.000 0.053 0.000 0.978 238 Q CA 1.659 57.483 55.803 0.034 0.000 0.844 238 Q CB -0.006 28.748 28.738 0.028 0.000 0.898 238 Q HN 0.225 nan 8.270 nan 0.000 0.426 239 K N 0.344 120.769 120.400 0.043 0.000 2.026 239 K HA -0.223 4.101 4.320 0.007 0.000 0.208 239 K C 2.162 178.818 176.600 0.093 0.000 1.048 239 K CA 1.339 57.660 56.287 0.058 0.000 0.929 239 K CB -0.079 32.430 32.500 0.016 0.000 0.713 239 K HN 0.011 nan 8.250 nan 0.000 0.439 240 Q N 1.022 120.859 119.800 0.061 0.000 2.084 240 Q HA -0.147 4.197 4.340 0.007 0.000 0.202 240 Q C 2.129 178.165 176.000 0.059 0.000 0.978 240 Q CA 1.914 57.752 55.803 0.059 0.000 0.844 240 Q CB -0.427 28.331 28.738 0.034 0.000 0.898 240 Q HN 0.191 nan 8.270 nan 0.000 0.426 241 S N -0.926 114.804 115.700 0.051 0.000 2.359 241 S HA -0.130 4.344 4.470 0.007 0.000 0.224 241 S C 1.806 176.435 174.600 0.048 0.000 1.035 241 S CA 1.406 59.630 58.200 0.039 0.000 1.018 241 S CB -0.312 62.908 63.200 0.034 0.000 0.876 241 S HN 0.485 nan 8.310 nan 0.000 0.448 242 L N 0.686 121.970 121.223 0.101 0.000 2.056 242 L HA -0.038 4.306 4.340 0.007 0.000 0.207 242 L C 2.410 179.315 176.870 0.059 0.000 1.078 242 L CA 1.145 56.061 54.840 0.127 0.000 0.749 242 L CB -0.544 41.711 42.059 0.328 0.000 0.901 242 L HN 0.339 nan 8.230 nan 0.000 0.433 243 I N -0.479 120.203 120.570 0.188 0.000 2.208 243 I HA -0.298 3.876 4.170 0.007 0.000 0.245 243 I C 2.491 178.603 176.117 -0.007 0.000 1.097 243 I CA 1.608 62.985 61.300 0.128 0.000 1.363 243 I CB -0.553 37.559 38.000 0.185 0.000 1.051 243 I HN 0.242 nan 8.210 nan 0.000 0.413 244 T N -0.090 114.464 114.554 0.001 0.000 2.788 244 T HA -0.226 4.128 4.350 0.007 0.000 0.268 244 T C 1.866 176.527 174.700 -0.065 0.000 1.044 244 T CA 1.308 63.391 62.100 -0.028 0.000 1.139 244 T CB -0.226 68.635 68.868 -0.012 0.000 0.867 244 T HN 0.423 nan 8.240 nan 0.000 0.454 245 Q N 0.107 119.860 119.800 -0.078 0.000 2.119 245 Q HA -0.027 4.317 4.340 0.007 0.000 0.201 245 Q C 2.539 178.438 176.000 -0.168 0.000 0.972 245 Q CA 0.888 56.629 55.803 -0.103 0.000 0.847 245 Q CB -0.235 28.453 28.738 -0.084 0.000 0.903 245 Q HN 0.340 nan 8.270 nan 0.000 0.433 246 V N 0.916 120.677 119.914 -0.254 0.000 2.307 246 V HA -0.259 3.865 4.120 0.007 0.000 0.245 246 V C 2.088 178.061 176.094 -0.203 0.000 1.045 246 V CA 1.562 63.677 62.300 -0.309 0.000 1.024 246 V CB -0.395 31.121 31.823 -0.511 0.000 0.651 246 V HN 0.352 nan 8.190 nan 0.000 0.449 247 I N 0.438 120.921 120.570 -0.145 0.000 2.208 247 I HA -0.264 3.910 4.170 0.007 0.000 0.245 247 I C 2.642 178.671 176.117 -0.146 0.000 1.097 247 I CA 1.505 62.732 61.300 -0.122 0.000 1.363 247 I CB -0.557 37.393 38.000 -0.084 0.000 1.051 247 I HN 0.294 nan 8.210 nan 0.000 0.413 248 A N 0.700 123.444 122.820 -0.126 0.000 1.877 248 A HA -0.196 4.128 4.320 0.007 0.000 0.216 248 A C 2.304 179.812 177.584 -0.126 0.000 1.186 248 A CA 1.482 53.453 52.037 -0.111 0.000 0.620 248 A CB -0.340 18.609 19.000 -0.084 0.000 0.822 248 A HN 0.204 nan 8.150 nan 0.000 0.443 249 K N -0.190 120.118 120.400 -0.153 0.000 2.057 249 K HA -0.057 4.267 4.320 0.007 0.000 0.207 249 K C 2.013 178.493 176.600 -0.199 0.000 1.049 249 K CA 1.320 57.503 56.287 -0.172 0.000 0.931 249 K CB -0.968 31.395 32.500 -0.228 0.000 0.714 249 K HN 0.366 nan 8.250 nan 0.000 0.440 250 V N 2.053 121.824 119.914 -0.239 0.000 2.307 250 V HA -0.236 3.888 4.120 0.007 0.000 0.245 250 V C 2.623 178.582 176.094 -0.224 0.000 1.045 250 V CA 2.259 64.414 62.300 -0.242 0.000 1.024 250 V CB -0.695 30.983 31.823 -0.242 0.000 0.651 250 V HN 0.425 nan 8.190 nan 0.000 0.449 251 S N -0.747 114.785 115.700 -0.281 0.000 2.387 251 S HA -0.173 4.301 4.470 0.007 0.000 0.226 251 S C 1.839 176.375 174.600 -0.107 0.000 1.026 251 S CA 0.853 58.865 58.200 -0.314 0.000 0.972 251 S CB -0.294 62.745 63.200 -0.269 0.000 0.814 251 S HN 0.574 nan 8.310 nan 0.000 0.477 252 Q N 0.200 119.956 119.800 -0.073 0.000 2.354 252 Q HA 0.248 4.592 4.340 0.007 0.000 0.203 252 Q C 1.907 177.920 176.000 0.022 0.000 0.933 252 Q CA 0.731 56.523 55.803 -0.019 0.000 0.901 252 Q CB 0.377 29.096 28.738 -0.031 0.000 1.007 252 Q HN 0.592 nan 8.270 nan 0.000 0.495 253 V N -1.385 118.542 119.914 0.022 0.000 3.029 253 V HA -0.017 4.107 4.120 0.007 0.000 0.230 253 V C 2.087 178.268 176.094 0.144 0.000 1.254 253 V CA 0.366 62.707 62.300 0.070 0.000 1.276 253 V CB -0.090 31.756 31.823 0.039 0.000 1.080 253 V HN -0.094 nan 8.190 nan 0.000 0.495 254 V N -0.303 119.661 119.914 0.084 0.000 2.295 254 V HA -0.268 3.856 4.120 0.007 0.000 0.246 254 V C 2.317 178.642 176.094 0.385 0.000 1.049 254 V CA 2.358 64.772 62.300 0.189 0.000 1.024 254 V CB -0.757 31.027 31.823 -0.065 0.000 0.648 254 V HN 0.510 nan 8.190 nan 0.000 0.447 255 Y N 0.427 120.774 120.300 0.077 0.000 2.128 255 Y HA -0.091 4.463 4.550 0.007 0.000 0.284 255 Y C 0.231 176.223 175.900 0.154 0.000 1.154 255 Y CA 1.422 59.584 58.100 0.102 0.000 1.149 255 Y CB -2.087 36.388 38.460 0.024 0.000 0.976 255 Y HN 0.354 nan 8.280 nan 0.000 0.505 256 P HA -0.116 nan 4.420 nan 0.000 0.219 256 P C 1.411 178.809 177.300 0.164 0.000 1.150 256 P CA 2.086 65.289 63.100 0.172 0.000 0.814 256 P CB -0.171 31.607 31.700 0.129 0.000 0.787 257 A N -0.942 122.009 122.820 0.218 0.000 1.851 257 A HA -0.248 4.076 4.320 0.007 0.000 0.216 257 A C 2.120 179.780 177.584 0.126 0.000 1.195 257 A CA 1.670 53.820 52.037 0.189 0.000 0.622 257 A CB -2.001 17.186 19.000 0.311 0.000 0.831 257 A HN 0.102 nan 8.150 nan 0.000 0.444 258 Y N 0.038 120.392 120.300 0.089 0.000 2.181 258 Y HA -0.218 4.336 4.550 0.007 0.000 0.288 258 Y C 2.772 178.672 175.900 -0.001 0.000 1.146 258 Y CA 1.898 60.009 58.100 0.020 0.000 1.164 258 Y CB -0.499 37.960 38.460 -0.001 0.000 0.982 258 Y HN 0.439 nan 8.280 nan 0.000 0.515 259 Q N -0.675 119.216 119.800 0.153 0.000 2.170 259 Q HA -0.172 4.172 4.340 0.007 0.000 0.203 259 Q C 2.456 178.485 176.000 0.049 0.000 0.976 259 Q CA 1.817 57.669 55.803 0.081 0.000 0.858 259 Q CB -0.229 28.558 28.738 0.081 0.000 0.907 259 Q HN 0.553 nan 8.270 nan 0.000 0.433 260 S N -0.557 115.170 115.700 0.044 0.000 2.402 260 S HA -0.080 4.394 4.470 0.007 0.000 0.229 260 S C 2.007 176.603 174.600 -0.008 0.000 1.021 260 S CA 0.981 59.192 58.200 0.019 0.000 0.974 260 S CB -0.371 62.841 63.200 0.020 0.000 0.800 260 S HN 0.140 nan 8.310 nan 0.000 0.484 261 V N 2.210 122.102 119.914 -0.038 0.000 2.453 261 V HA -0.098 4.026 4.120 0.007 0.000 0.247 261 V C 2.804 178.878 176.094 -0.034 0.000 1.048 261 V CA 1.944 64.203 62.300 -0.067 0.000 1.049 261 V CB -0.849 30.876 31.823 -0.164 0.000 0.672 261 V HN 0.604 nan 8.190 nan 0.000 0.457 262 E N 0.775 120.968 120.200 -0.010 0.000 2.058 262 E HA -0.324 4.030 4.350 0.007 0.000 0.194 262 E C 2.287 178.889 176.600 0.004 0.000 0.997 262 E CA 1.974 58.379 56.400 0.008 0.000 0.801 262 E CB -0.071 29.645 29.700 0.026 0.000 0.746 262 E HN 0.615 nan 8.360 nan 0.000 0.450 263 K N 0.133 120.536 120.400 0.006 0.000 2.025 263 K HA -0.117 4.207 4.320 0.007 0.000 0.207 263 K C 2.082 178.682 176.600 -0.000 0.000 1.049 263 K CA 1.287 57.577 56.287 0.005 0.000 0.933 263 K CB -0.255 32.251 32.500 0.010 0.000 0.714 263 K HN 0.135 nan 8.250 nan 0.000 0.438 264 A N 0.678 123.496 122.820 -0.004 0.000 1.908 264 A HA -0.143 4.181 4.320 0.007 0.000 0.218 264 A C 2.180 179.760 177.584 -0.007 0.000 1.181 264 A CA 2.139 54.173 52.037 -0.005 0.000 0.627 264 A CB -0.702 18.294 19.000 -0.007 0.000 0.818 264 A HN 0.420 nan 8.150 nan 0.000 0.445 265 S N -0.286 115.407 115.700 -0.011 0.000 2.368 265 S HA -0.151 4.323 4.470 0.007 0.000 0.224 265 S C 1.780 176.370 174.600 -0.016 0.000 1.029 265 S CA 1.411 59.602 58.200 -0.015 0.000 0.988 265 S CB -0.324 62.867 63.200 -0.015 0.000 0.838 265 S HN 0.710 nan 8.310 nan 0.000 0.462 266 E N 1.115 121.309 120.200 -0.011 0.000 2.160 266 E HA -0.157 4.197 4.350 0.007 0.000 0.195 266 E C 2.240 178.833 176.600 -0.012 0.000 0.991 266 E CA 0.910 57.303 56.400 -0.012 0.000 0.810 266 E CB -0.096 29.600 29.700 -0.006 0.000 0.742 266 E HN 0.519 nan 8.360 nan 0.000 0.466 267 Q N -0.001 119.794 119.800 -0.009 0.000 2.224 267 Q HA -0.080 4.264 4.340 0.007 0.000 0.203 267 Q C 2.126 178.120 176.000 -0.010 0.000 0.970 267 Q CA 0.764 56.563 55.803 -0.007 0.000 0.865 267 Q CB 0.049 28.786 28.738 -0.002 0.000 0.922 267 Q HN 0.395 nan 8.270 nan 0.000 0.445 268 L N 0.202 121.417 121.223 -0.014 0.000 2.554 268 L HA -0.068 4.276 4.340 0.007 0.000 0.226 268 L C 1.883 178.732 176.870 -0.034 0.000 1.137 268 L CA -0.200 54.628 54.840 -0.020 0.000 0.863 268 L CB -0.173 41.875 42.059 -0.019 0.000 0.985 268 L HN 0.150 nan 8.230 nan 0.000 0.451 269 L N 0.273 121.475 121.223 -0.034 0.000 2.042 269 L HA -0.235 4.109 4.340 0.007 0.000 0.210 269 L C 2.896 179.742 176.870 -0.040 0.000 1.076 269 L CA 2.270 57.084 54.840 -0.043 0.000 0.749 269 L CB -1.023 41.015 42.059 -0.035 0.000 0.893 269 L HN 0.412 nan 8.230 nan 0.000 0.432 270 S N -1.642 114.041 115.700 -0.029 0.000 2.399 270 S HA -0.181 4.293 4.470 0.007 0.000 0.231 270 S C 1.758 176.341 174.600 -0.029 0.000 1.022 270 S CA 1.228 59.413 58.200 -0.025 0.000 0.983 270 S CB -0.379 62.812 63.200 -0.016 0.000 0.803 270 S HN 0.567 nan 8.310 nan 0.000 0.480 271 E N 1.484 121.666 120.200 -0.030 0.000 2.230 271 E HA 0.347 4.701 4.350 0.007 0.000 0.192 271 E C 0.929 177.497 176.600 -0.053 0.000 0.987 271 E CA 0.310 56.691 56.400 -0.032 0.000 0.841 271 E CB -0.081 29.606 29.700 -0.021 0.000 0.783 271 E HN 0.687 nan 8.360 nan 0.000 0.481 272 A N 1.800 124.579 122.820 -0.069 0.000 2.531 272 A HA 0.083 4.407 4.320 0.007 0.000 0.236 272 A C 0.058 177.575 177.584 -0.111 0.000 1.062 272 A CA 0.143 52.116 52.037 -0.107 0.000 0.760 272 A CB 0.209 19.136 19.000 -0.121 0.000 0.995 272 A HN 0.102 nan 8.150 nan 0.000 0.501 273 R N 1.738 122.150 120.500 -0.147 0.000 2.531 273 R HA 0.292 4.636 4.340 0.007 0.000 0.273 273 R C 1.015 177.239 176.300 -0.127 0.000 1.070 273 R CA -0.176 55.841 56.100 -0.139 0.000 1.112 273 R CB 0.776 30.962 30.300 -0.190 0.000 1.049 273 R HN 0.772 nan 8.270 nan 0.000 0.508 274 S N 1.082 116.728 115.700 -0.090 0.000 2.406 274 S HA -0.074 4.400 4.470 0.007 0.000 0.228 274 S C 0.007 174.567 174.600 -0.067 0.000 1.020 274 S CA 0.995 59.157 58.200 -0.063 0.000 0.965 274 S CB 0.001 63.184 63.200 -0.027 0.000 0.798 274 S HN 0.476 nan 8.310 nan 0.000 0.488 275 E N 1.275 121.415 120.200 -0.099 0.000 2.413 275 E HA 0.142 4.496 4.350 0.007 0.000 0.263 275 E C 0.808 177.316 176.600 -0.153 0.000 1.015 275 E CA 0.070 56.405 56.400 -0.109 0.000 0.916 275 E CB 0.519 30.024 29.700 -0.325 0.000 0.947 275 E HN 0.056 nan 8.360 nan 0.000 0.440 276 S N 1.052 116.722 115.700 -0.050 0.000 2.441 276 S HA 0.120 4.594 4.470 0.007 0.000 0.224 276 S C 0.936 175.487 174.600 -0.082 0.000 1.043 276 S CA 0.359 58.529 58.200 -0.050 0.000 0.948 276 S CB 0.311 63.524 63.200 0.021 0.000 0.810 276 S HN 0.595 nan 8.310 nan 0.000 0.504 277 G N 0.650 109.400 108.800 -0.084 0.000 2.504 277 G HA2 0.489 4.453 3.960 0.007 0.000 0.288 277 G HA3 0.489 4.453 3.960 0.007 0.000 0.288 277 G C 0.383 175.147 174.900 -0.226 0.000 1.182 277 G CA -0.588 44.475 45.100 -0.062 0.000 0.894 277 G HN 0.165 nan 8.290 nan 0.000 0.521 278 I N 0.934 121.617 120.570 0.188 0.000 2.830 278 I HA -0.012 4.162 4.170 0.007 0.000 0.263 278 I C 2.333 178.358 176.117 -0.154 0.000 1.230 278 I CA 0.193 61.441 61.300 -0.087 0.000 1.480 278 I CB -0.203 37.745 38.000 -0.086 0.000 1.095 278 I HN 0.771 nan 8.210 nan 0.000 0.455 279 W N 0.499 121.811 121.300 0.021 0.000 2.341 279 W HA -0.158 4.506 4.660 0.007 0.000 0.283 279 W C 1.794 178.323 176.519 0.016 0.000 1.215 279 W CA 0.870 58.233 57.345 0.030 0.000 1.211 279 W CB -1.367 28.100 29.460 0.012 0.000 1.131 279 W HN 0.284 nan 8.180 nan 0.000 0.552 280 A N 1.042 123.277 122.820 -0.974 0.000 2.119 280 A HA -0.045 4.279 4.320 0.007 0.000 0.216 280 A C 1.501 178.841 177.584 -0.406 0.000 1.152 280 A CA 0.508 51.984 52.037 -0.935 0.000 0.708 280 A CB -0.441 17.770 19.000 -1.315 0.000 0.805 280 A HN 0.202 nan 8.150 nan 0.000 0.460 281 Q N 0.362 119.946 119.800 -0.360 0.000 2.417 281 Q HA 0.267 4.611 4.340 0.007 0.000 0.241 281 Q C -2.530 173.482 176.000 0.019 0.000 1.008 281 Q CA -2.234 53.396 55.803 -0.287 0.000 0.901 281 Q CB -0.358 27.937 28.738 -0.739 0.000 1.259 281 Q HN 0.168 nan 8.270 nan 0.000 0.489 282 P HA -0.009 nan 4.420 nan 0.000 0.267 282 P C -0.500 177.021 177.300 0.368 0.000 1.209 282 P CA 0.256 63.490 63.100 0.224 0.000 0.763 282 P CB 0.282 32.106 31.700 0.207 0.000 0.816 283 K N 1.665 122.247 120.400 0.303 0.000 3.020 283 K HA -0.212 4.112 4.320 0.007 0.000 0.266 283 K C 1.426 178.346 176.600 0.534 0.000 1.067 283 K CA 0.681 57.198 56.287 0.384 0.000 0.780 283 K CB -2.006 30.703 32.500 0.349 0.000 1.220 283 K HN 0.747 nan 8.250 nan 0.000 0.483 284 G N 0.380 109.424 108.800 0.405 0.000 2.450 284 G HA2 -0.280 3.684 3.960 0.007 0.000 0.220 284 G HA3 -0.280 3.684 3.960 0.007 0.000 0.220 284 G C 1.343 176.465 174.900 0.370 0.000 1.130 284 G CA 1.205 46.509 45.100 0.340 0.000 0.760 284 G HN 0.360 nan 8.290 nan 0.000 0.557 285 S N -0.187 115.718 115.700 0.342 0.000 2.406 285 S HA -0.046 4.428 4.470 0.007 0.000 0.228 285 S C 2.496 177.266 174.600 0.282 0.000 1.020 285 S CA 0.869 59.263 58.200 0.324 0.000 0.965 285 S CB -0.037 63.323 63.200 0.266 0.000 0.798 285 S HN 0.213 nan 8.310 nan 0.000 0.488 286 V N 0.831 120.920 119.914 0.290 0.000 2.295 286 V HA -0.216 3.908 4.120 0.007 0.000 0.246 286 V C 1.923 178.085 176.094 0.113 0.000 1.049 286 V CA 1.909 64.356 62.300 0.245 0.000 1.024 286 V CB -0.840 31.208 31.823 0.376 0.000 0.648 286 V HN 0.547 nan 8.190 nan 0.000 0.447 287 Y N -0.072 120.192 120.300 -0.059 0.000 2.114 287 Y HA -0.373 4.181 4.550 0.007 0.000 0.282 287 Y C 2.526 178.354 175.900 -0.121 0.000 1.165 287 Y CA 2.401 60.253 58.100 -0.413 0.000 1.148 287 Y CB -0.516 37.724 38.460 -0.366 0.000 0.972 287 Y HN 0.316 nan 8.280 nan 0.000 0.504 288 Y N 0.945 121.284 120.300 0.065 0.000 2.181 288 Y HA -0.253 4.301 4.550 0.007 0.000 0.288 288 Y C 2.578 178.422 175.900 -0.093 0.000 1.146 288 Y CA 2.102 60.207 58.100 0.008 0.000 1.164 288 Y CB -0.831 37.696 38.460 0.112 0.000 0.982 288 Y HN 0.305 nan 8.280 nan 0.000 0.515 289 Q N 0.398 120.130 119.800 -0.114 0.000 2.124 289 Q HA -0.188 4.156 4.340 0.007 0.000 0.202 289 Q C 1.827 177.676 176.000 -0.252 0.000 0.977 289 Q CA 2.110 57.796 55.803 -0.195 0.000 0.850 289 Q CB -0.490 28.210 28.738 -0.064 0.000 0.901 289 Q HN 0.606 nan 8.270 nan 0.000 0.429 290 D N -1.041 119.188 120.400 -0.284 0.000 2.117 290 D HA -0.099 4.545 4.640 0.007 0.000 0.198 290 D C 1.640 177.706 176.300 -0.390 0.000 0.982 290 D CA 1.367 55.172 54.000 -0.326 0.000 0.828 290 D CB -0.214 40.343 40.800 -0.406 0.000 0.967 290 D HN 0.338 nan 8.370 nan 0.000 0.464 291 A N 0.163 122.678 122.820 -0.508 0.000 1.933 291 A HA -0.121 4.203 4.320 0.007 0.000 0.218 291 A C 2.352 179.744 177.584 -0.320 0.000 1.175 291 A CA 1.136 52.923 52.037 -0.417 0.000 0.628 291 A CB -0.811 17.994 19.000 -0.325 0.000 0.814 291 A HN 0.401 nan 8.150 nan 0.000 0.444 292 I N -0.662 119.666 120.570 -0.403 0.000 2.226 292 I HA -0.274 3.900 4.170 0.007 0.000 0.245 292 I C 2.545 178.543 176.117 -0.199 0.000 1.100 292 I CA 1.915 63.020 61.300 -0.324 0.000 1.374 292 I CB -0.227 37.542 38.000 -0.385 0.000 1.057 292 I HN 0.378 nan 8.210 nan 0.000 0.413 293 K N 0.399 120.684 120.400 -0.191 0.000 2.026 293 K HA -0.205 4.119 4.320 0.007 0.000 0.208 293 K C 2.223 178.760 176.600 -0.105 0.000 1.048 293 K CA 1.299 57.508 56.287 -0.129 0.000 0.929 293 K CB 0.113 32.541 32.500 -0.120 0.000 0.713 293 K HN 0.207 nan 8.250 nan 0.000 0.439 294 Q N -0.070 119.657 119.800 -0.123 0.000 2.187 294 Q HA 0.003 4.347 4.340 0.007 0.000 0.199 294 Q C 1.989 177.964 176.000 -0.042 0.000 0.957 294 Q CA 1.019 56.792 55.803 -0.051 0.000 0.857 294 Q CB 0.309 29.028 28.738 -0.031 0.000 0.929 294 Q HN 0.377 nan 8.270 nan 0.000 0.453 295 L N -1.732 119.438 121.223 -0.088 0.000 2.609 295 L HA 0.265 4.609 4.340 0.007 0.000 0.230 295 L C 1.847 178.684 176.870 -0.054 0.000 1.064 295 L CA 0.577 55.367 54.840 -0.082 0.000 0.873 295 L CB 0.134 42.129 42.059 -0.108 0.000 1.139 295 L HN 0.135 nan 8.230 nan 0.000 0.490 296 G N -1.769 106.991 108.800 -0.066 0.000 2.838 296 G HA2 -0.124 3.840 3.960 0.007 0.000 0.210 296 G HA3 -0.124 3.840 3.960 0.007 0.000 0.210 296 G C 0.362 175.240 174.900 -0.037 0.000 1.153 296 G CA 0.097 45.171 45.100 -0.043 0.000 0.778 296 G HN 0.330 nan 8.290 nan 0.000 0.539 297 D N -0.150 120.223 120.400 -0.047 0.000 2.686 297 D HA -0.171 4.473 4.640 0.007 0.000 0.235 297 D C -0.042 176.232 176.300 -0.044 0.000 1.160 297 D CA 1.145 55.121 54.000 -0.041 0.000 0.645 297 D CB -1.282 39.504 40.800 -0.024 0.000 1.039 297 D HN 0.322 nan 8.370 nan 0.000 0.423 298 S N -0.519 115.145 115.700 -0.059 0.000 2.556 298 S HA 0.473 4.947 4.470 0.007 0.000 0.271 298 S C 0.199 174.760 174.600 -0.066 0.000 1.135 298 S CA -0.608 57.560 58.200 -0.053 0.000 0.858 298 S CB 1.562 64.733 63.200 -0.048 0.000 1.114 298 S HN 0.063 nan 8.310 nan 0.000 0.468 299 E N 2.357 122.527 120.200 -0.051 0.000 2.501 299 E HA 0.226 4.580 4.350 0.007 0.000 0.201 299 E C -0.034 176.541 176.600 -0.041 0.000 1.016 299 E CA -0.084 56.286 56.400 -0.049 0.000 0.920 299 E CB 0.277 29.956 29.700 -0.036 0.000 1.023 299 E HN 0.545 nan 8.360 nan 0.000 0.474 300 L N 2.045 123.244 121.223 -0.039 0.000 2.473 300 L HA 0.033 4.377 4.340 0.007 0.000 0.268 300 L C 1.072 177.921 176.870 -0.035 0.000 1.215 300 L CA -0.129 54.694 54.840 -0.028 0.000 0.823 300 L CB 0.311 42.357 42.059 -0.021 0.000 1.099 300 L HN 0.004 nan 8.230 nan 0.000 0.483 301 S N 1.232 116.921 115.700 -0.018 0.000 2.603 301 S HA 0.242 4.716 4.470 0.007 0.000 0.268 301 S C -1.783 172.816 174.600 -0.002 0.000 1.317 301 S CA -1.187 57.006 58.200 -0.011 0.000 1.012 301 S CB 0.965 64.165 63.200 0.002 0.000 0.926 301 S HN 0.460 nan 8.310 nan 0.000 0.539 302 P HA -0.037 nan 4.420 nan 0.000 0.222 302 P C 1.253 178.580 177.300 0.045 0.000 1.147 302 P CA 1.088 64.226 63.100 0.062 0.000 0.790 302 P CB -0.493 31.314 31.700 0.179 0.000 0.780 303 T N 0.062 114.627 114.554 0.019 0.000 2.746 303 T HA -0.171 4.183 4.350 0.007 0.000 0.267 303 T C 1.964 176.686 174.700 0.037 0.000 1.039 303 T CA 1.443 63.548 62.100 0.007 0.000 1.142 303 T CB -0.524 68.342 68.868 -0.003 0.000 0.866 303 T HN 0.314 nan 8.240 nan 0.000 0.444 304 Q N 0.051 119.867 119.800 0.027 0.000 2.083 304 Q HA 0.134 4.478 4.340 0.007 0.000 0.198 304 Q C 2.345 178.364 176.000 0.031 0.000 0.969 304 Q CA 0.909 56.728 55.803 0.026 0.000 0.838 304 Q CB -0.233 28.512 28.738 0.012 0.000 0.900 304 Q HN 0.492 nan 8.270 nan 0.000 0.436 305 I N -0.089 120.500 120.570 0.031 0.000 2.361 305 I HA -0.277 3.897 4.170 0.007 0.000 0.251 305 I C 2.256 178.391 176.117 0.030 0.000 1.133 305 I CA 1.197 62.511 61.300 0.024 0.000 1.413 305 I CB -0.216 37.795 38.000 0.018 0.000 1.073 305 I HN 0.267 nan 8.210 nan 0.000 0.424 306 H N 0.664 119.699 119.070 -0.058 0.000 2.353 306 H HA -0.243 4.317 4.556 0.007 0.000 0.300 306 H C 2.228 177.514 175.328 -0.070 0.000 1.090 306 H CA 1.965 57.951 56.048 -0.104 0.000 1.327 306 H CB 0.127 29.799 29.762 -0.151 0.000 1.383 306 H HN 0.185 nan 8.280 nan 0.000 0.508 307 Q N 0.287 120.116 119.800 0.048 0.000 2.172 307 Q HA -0.020 4.324 4.340 0.007 0.000 0.200 307 Q C 2.193 178.178 176.000 -0.025 0.000 0.964 307 Q CA 1.522 57.331 55.803 0.009 0.000 0.855 307 Q CB -0.289 28.477 28.738 0.046 0.000 0.918 307 Q HN 0.653 nan 8.270 nan 0.000 0.444 308 I N -0.197 120.363 120.570 -0.017 0.000 2.226 308 I HA -0.220 3.954 4.170 0.007 0.000 0.245 308 I C 2.116 178.212 176.117 -0.035 0.000 1.100 308 I CA 1.158 62.449 61.300 -0.016 0.000 1.374 308 I CB -0.694 37.304 38.000 -0.005 0.000 1.057 308 I HN 0.406 nan 8.210 nan 0.000 0.413 309 G N 1.180 109.937 108.800 -0.072 0.000 2.491 309 G HA2 -0.244 3.720 3.960 0.007 0.000 0.218 309 G HA3 -0.244 3.720 3.960 0.007 0.000 0.218 309 G C 1.678 176.528 174.900 -0.083 0.000 1.180 309 G CA 0.764 45.805 45.100 -0.098 0.000 0.774 309 G HN 0.284 nan 8.290 nan 0.000 0.562 310 L N 0.454 121.597 121.223 -0.132 0.000 2.042 310 L HA -0.097 4.247 4.340 0.007 0.000 0.210 310 L C 2.606 179.478 176.870 0.003 0.000 1.076 310 L CA 1.400 56.210 54.840 -0.050 0.000 0.749 310 L CB -0.428 41.597 42.059 -0.056 0.000 0.893 310 L HN 0.126 nan 8.230 nan 0.000 0.432 311 D N -0.392 120.003 120.400 -0.007 0.000 2.117 311 D HA -0.157 4.487 4.640 0.007 0.000 0.198 311 D C 2.220 178.522 176.300 0.003 0.000 0.982 311 D CA 0.935 54.937 54.000 0.003 0.000 0.828 311 D CB -0.100 40.700 40.800 0.001 0.000 0.967 311 D HN 0.280 nan 8.370 nan 0.000 0.464 312 E N 0.555 120.755 120.200 0.000 0.000 2.110 312 E HA -0.088 4.266 4.350 0.007 0.000 0.193 312 E C 2.447 179.052 176.600 0.009 0.000 0.988 312 E CA 0.271 56.673 56.400 0.003 0.000 0.804 312 E CB -0.227 29.476 29.700 0.005 0.000 0.745 312 E HN 0.146 nan 8.360 nan 0.000 0.458 313 V N 1.661 121.588 119.914 0.023 0.000 2.287 313 V HA -0.275 3.849 4.120 0.007 0.000 0.248 313 V C 2.466 178.572 176.094 0.020 0.000 1.053 313 V CA 1.904 64.226 62.300 0.036 0.000 1.027 313 V CB -0.860 31.019 31.823 0.093 0.000 0.646 313 V HN 0.253 nan 8.190 nan 0.000 0.447 314 A N -0.147 122.687 122.820 0.022 0.000 1.902 314 A HA -0.250 4.074 4.320 0.007 0.000 0.217 314 A C 2.411 179.993 177.584 -0.004 0.000 1.181 314 A CA 2.066 54.110 52.037 0.011 0.000 0.623 314 A CB -0.555 18.456 19.000 0.017 0.000 0.818 314 A HN 0.495 nan 8.150 nan 0.000 0.443 315 R N -0.295 120.201 120.500 -0.006 0.000 2.070 315 R HA -0.091 4.253 4.340 0.007 0.000 0.232 315 R C 2.005 178.288 176.300 -0.029 0.000 1.138 315 R CA 1.971 58.061 56.100 -0.018 0.000 0.936 315 R CB -0.421 29.869 30.300 -0.017 0.000 0.839 315 R HN 0.520 nan 8.270 nan 0.000 0.429 316 I N 0.956 121.510 120.570 -0.027 0.000 2.252 316 I HA -0.263 3.911 4.170 0.007 0.000 0.245 316 I C 2.580 178.669 176.117 -0.047 0.000 1.102 316 I CA 1.508 62.783 61.300 -0.043 0.000 1.385 316 I CB -0.334 37.647 38.000 -0.031 0.000 1.064 316 I HN 0.349 nan 8.210 nan 0.000 0.414 317 S N 0.990 116.670 115.700 -0.032 0.000 2.400 317 S HA -0.130 4.344 4.470 0.007 0.000 0.232 317 S C 2.180 176.756 174.600 -0.040 0.000 1.025 317 S CA 1.150 59.329 58.200 -0.036 0.000 0.993 317 S CB -1.301 61.882 63.200 -0.028 0.000 0.808 317 S HN 0.487 nan 8.310 nan 0.000 0.478 318 G N 1.271 110.051 108.800 -0.034 0.000 2.418 318 G HA2 -0.099 3.865 3.960 0.007 0.000 0.217 318 G HA3 -0.099 3.865 3.960 0.007 0.000 0.217 318 G C 1.440 176.312 174.900 -0.047 0.000 1.158 318 G CA 0.940 46.020 45.100 -0.034 0.000 0.771 318 G HN 0.484 nan 8.290 nan 0.000 0.545 319 V N 1.104 120.981 119.914 -0.060 0.000 2.295 319 V HA -0.215 3.909 4.120 0.007 0.000 0.246 319 V C 2.915 178.952 176.094 -0.094 0.000 1.049 319 V CA 2.148 64.399 62.300 -0.082 0.000 1.024 319 V CB -0.428 31.333 31.823 -0.104 0.000 0.648 319 V HN 0.379 nan 8.190 nan 0.000 0.447 320 M N 0.217 119.761 119.600 -0.095 0.000 2.086 320 M HA -0.198 4.286 4.480 0.007 0.000 0.261 320 M C 2.195 178.445 176.300 -0.084 0.000 1.067 320 M CA 2.344 57.580 55.300 -0.106 0.000 1.116 320 M CB -0.762 31.777 32.600 -0.102 0.000 1.348 320 M HN 0.445 nan 8.290 nan 0.000 0.407 321 N N 0.492 119.157 118.700 -0.058 0.000 2.104 321 N HA -0.197 4.547 4.740 0.007 0.000 0.190 321 N C 1.557 177.046 175.510 -0.033 0.000 1.024 321 N CA 1.541 54.570 53.050 -0.036 0.000 0.853 321 N CB -0.013 38.459 38.487 -0.025 0.000 1.008 321 N HN 0.245 nan 8.380 nan 0.000 0.424 322 E N 0.223 120.396 120.200 -0.044 0.000 2.077 322 E HA -0.128 4.226 4.350 0.007 0.000 0.193 322 E C 2.197 178.767 176.600 -0.050 0.000 0.989 322 E CA 0.889 57.265 56.400 -0.039 0.000 0.800 322 E CB -0.302 29.372 29.700 -0.043 0.000 0.746 322 E HN 0.561 nan 8.360 nan 0.000 0.452 323 I N 0.901 121.423 120.570 -0.080 0.000 2.226 323 I HA -0.262 3.912 4.170 0.007 0.000 0.245 323 I C 2.525 178.579 176.117 -0.105 0.000 1.100 323 I CA 0.806 62.039 61.300 -0.112 0.000 1.374 323 I CB -0.270 37.632 38.000 -0.163 0.000 1.057 323 I HN 0.026 nan 8.210 nan 0.000 0.413 324 L N 0.114 121.291 121.223 -0.077 0.000 2.046 324 L HA -0.227 4.117 4.340 0.007 0.000 0.208 324 L C 2.535 179.455 176.870 0.084 0.000 1.077 324 L CA 1.386 56.224 54.840 -0.003 0.000 0.747 324 L CB -0.445 41.618 42.059 0.007 0.000 0.896 324 L HN 0.257 nan 8.230 nan 0.000 0.432 325 L N -0.626 120.621 121.223 0.040 0.000 2.083 325 L HA -0.198 4.146 4.340 0.007 0.000 0.209 325 L C 2.778 179.673 176.870 0.042 0.000 1.083 325 L CA 1.105 55.972 54.840 0.045 0.000 0.752 325 L CB -0.630 41.439 42.059 0.016 0.000 0.899 325 L HN 0.251 nan 8.230 nan 0.000 0.433 326 A N -1.042 121.787 122.820 0.016 0.000 2.015 326 A HA -0.164 4.160 4.320 0.007 0.000 0.219 326 A C 2.073 179.676 177.584 0.032 0.000 1.163 326 A CA 1.061 53.102 52.037 0.007 0.000 0.646 326 A CB -0.189 18.799 19.000 -0.022 0.000 0.806 326 A HN 0.381 nan 8.150 nan 0.000 0.448 327 Q N -1.429 118.410 119.800 0.064 0.000 2.403 327 Q HA 0.172 4.516 4.340 0.007 0.000 0.203 327 Q C 1.171 177.333 176.000 0.270 0.000 0.932 327 Q CA 0.777 56.681 55.803 0.169 0.000 0.945 327 Q CB 0.193 29.025 28.738 0.156 0.000 1.045 327 Q HN 0.977 nan 8.270 nan 0.000 0.511 328 G N 0.407 109.302 108.800 0.158 0.000 2.157 328 G HA2 -0.276 3.688 3.960 0.007 0.000 0.239 328 G HA3 -0.276 3.688 3.960 0.007 0.000 0.239 328 G C -0.389 174.457 174.900 -0.090 0.000 0.982 328 G CA -0.337 44.785 45.100 0.038 0.000 0.650 328 G HN 0.342 nan 8.290 nan 0.000 0.527 329 Y N 1.721 122.049 120.300 0.047 0.000 2.700 329 Y HA 0.460 5.014 4.550 0.005 0.000 0.333 329 Y C 1.714 177.623 175.900 0.015 0.000 1.036 329 Y CA 0.364 58.488 58.100 0.040 0.000 1.287 329 Y CB 1.187 39.682 38.460 0.058 0.000 1.132 329 Y HN 0.248 nan 8.280 nan 0.000 0.510 330 T N -2.109 112.473 114.554 0.047 0.000 3.010 330 T HA 0.241 4.595 4.350 0.007 0.000 0.257 330 T C 0.318 175.033 174.700 0.025 0.000 1.020 330 T CA -0.319 61.799 62.100 0.031 0.000 0.938 330 T CB 0.186 69.055 68.868 0.002 0.000 1.049 330 T HN -0.021 nan 8.240 nan 0.000 0.522 331 K N 1.825 122.242 120.400 0.029 0.000 2.244 331 K HA 0.729 5.053 4.320 0.007 0.000 0.260 331 K C 0.673 177.293 176.600 0.034 0.000 0.951 331 K CA -0.037 56.262 56.287 0.021 0.000 0.826 331 K CB 1.078 33.582 32.500 0.007 0.000 1.108 331 K HN 0.520 nan 8.250 nan 0.000 0.433 332 G N 1.074 109.887 108.800 0.021 0.000 2.655 332 G HA2 -0.232 3.732 3.960 0.007 0.000 0.680 332 G HA3 -0.232 3.732 3.960 0.007 0.000 0.680 332 G C -0.186 174.723 174.900 0.014 0.000 1.302 332 G CA -0.430 44.682 45.100 0.019 0.000 0.872 332 G HN 0.761 nan 8.290 nan 0.000 0.540 333 T N -2.145 112.412 114.554 0.005 0.000 2.766 333 T HA 0.482 4.836 4.350 0.007 0.000 0.295 333 T C 1.829 176.527 174.700 -0.003 0.000 1.024 333 T CA 0.468 62.565 62.100 -0.005 0.000 1.018 333 T CB 1.283 70.140 68.868 -0.018 0.000 1.002 333 T HN 1.451 nan 8.240 nan 0.000 0.532 334 V N 2.051 121.955 119.914 -0.016 0.000 2.287 334 V HA -0.087 4.037 4.120 0.007 0.000 0.248 334 V C 2.933 179.012 176.094 -0.025 0.000 1.053 334 V CA 2.462 64.746 62.300 -0.025 0.000 1.027 334 V CB -1.656 30.144 31.823 -0.038 0.000 0.646 334 V HN 1.128 nan 8.190 nan 0.000 0.447 335 G N -0.705 108.082 108.800 -0.021 0.000 2.418 335 G HA2 -0.242 3.722 3.960 0.007 0.000 0.217 335 G HA3 -0.242 3.722 3.960 0.007 0.000 0.217 335 G C 1.453 176.355 174.900 0.003 0.000 1.158 335 G CA 0.889 45.983 45.100 -0.009 0.000 0.771 335 G HN 0.584 nan 8.290 nan 0.000 0.545 336 E N -0.024 120.180 120.200 0.007 0.000 2.153 336 E HA -0.058 4.296 4.350 0.007 0.000 0.194 336 E C 2.723 179.346 176.600 0.039 0.000 0.988 336 E CA 0.449 56.863 56.400 0.023 0.000 0.811 336 E CB -0.056 29.658 29.700 0.024 0.000 0.746 336 E HN 0.348 nan 8.360 nan 0.000 0.466 337 R N -0.182 120.338 120.500 0.033 0.000 2.090 337 R HA -0.012 4.332 4.340 0.007 0.000 0.228 337 R C 2.206 178.486 176.300 -0.033 0.000 1.110 337 R CA 0.950 57.081 56.100 0.052 0.000 0.973 337 R CB -0.003 30.340 30.300 0.071 0.000 0.869 337 R HN 0.147 nan 8.270 nan 0.000 0.440 338 M N 0.086 119.645 119.600 -0.069 0.000 2.175 338 M HA -0.089 4.395 4.480 0.007 0.000 0.264 338 M C 2.306 178.607 176.300 0.002 0.000 1.063 338 M CA 1.246 56.474 55.300 -0.119 0.000 1.119 338 M CB -0.628 31.918 32.600 -0.090 0.000 1.377 338 M HN -0.036 nan 8.290 nan 0.000 0.415 339 V N 0.775 120.711 119.914 0.036 0.000 2.287 339 V HA -0.272 3.852 4.120 0.007 0.000 0.248 339 V C 2.721 178.867 176.094 0.087 0.000 1.053 339 V CA 1.966 64.307 62.300 0.068 0.000 1.027 339 V CB -1.373 30.481 31.823 0.052 0.000 0.646 339 V HN 0.487 nan 8.190 nan 0.000 0.447 340 A N -0.493 122.377 122.820 0.084 0.000 1.902 340 A HA -0.168 4.156 4.320 0.007 0.000 0.217 340 A C 2.228 179.901 177.584 0.149 0.000 1.181 340 A CA 1.836 53.946 52.037 0.121 0.000 0.623 340 A CB -0.561 18.537 19.000 0.162 0.000 0.818 340 A HN 0.495 nan 8.150 nan 0.000 0.443 341 L N -0.195 121.079 121.223 0.084 0.000 2.042 341 L HA -0.211 4.133 4.340 0.007 0.000 0.210 341 L C 2.447 179.518 176.870 0.334 0.000 1.076 341 L CA 1.389 56.278 54.840 0.081 0.000 0.749 341 L CB -0.563 41.277 42.059 -0.365 0.000 0.893 341 L HN 0.440 nan 8.230 nan 0.000 0.432 342 N N 0.472 119.363 118.700 0.319 0.000 2.430 342 N HA -0.199 4.545 4.740 0.007 0.000 0.186 342 N C 1.488 177.116 175.510 0.197 0.000 1.032 342 N CA 1.141 54.369 53.050 0.296 0.000 0.893 342 N CB 0.095 38.703 38.487 0.202 0.000 0.957 342 N HN 0.477 nan 8.380 nan 0.000 0.442 343 E N -0.187 120.119 120.200 0.177 0.000 2.371 343 E HA 0.006 4.360 4.350 0.007 0.000 0.194 343 E C -0.170 176.500 176.600 0.116 0.000 1.012 343 E CA 0.182 56.655 56.400 0.121 0.000 0.860 343 E CB 0.163 29.921 29.700 0.096 0.000 0.811 343 E HN 0.487 nan 8.360 nan 0.000 0.502 344 E N 1.767 122.071 120.200 0.174 0.000 2.331 344 E HA 0.021 4.375 4.350 0.007 0.000 0.272 344 E C -1.732 174.860 176.600 -0.013 0.000 1.036 344 E CA -1.724 54.719 56.400 0.073 0.000 0.864 344 E CB 0.834 30.567 29.700 0.056 0.000 1.035 344 E HN -0.023 nan 8.360 nan 0.000 0.408 345 P HA -0.181 nan 4.420 nan 0.000 0.223 345 P C 1.014 178.208 177.300 -0.177 0.000 1.151 345 P CA 1.090 64.136 63.100 -0.089 0.000 0.787 345 P CB 0.076 31.732 31.700 -0.073 0.000 0.788 346 R N -0.970 119.336 120.500 -0.324 0.000 2.193 346 R HA -0.044 4.300 4.340 0.007 0.000 0.229 346 R C 1.050 177.055 176.300 -0.493 0.000 1.110 346 R CA 1.255 57.069 56.100 -0.477 0.000 0.988 346 R CB -1.142 28.738 30.300 -0.700 0.000 0.871 346 R HN 0.115 nan 8.270 nan 0.000 0.458 347 F N 1.046 120.936 119.950 -0.100 0.000 2.664 347 F HA 0.403 4.934 4.527 0.006 0.000 0.303 347 F C 0.233 175.909 175.800 -0.207 0.000 1.092 347 F CA -0.530 57.392 58.000 -0.129 0.000 1.305 347 F CB 0.382 39.365 39.000 -0.029 0.000 1.054 347 F HN -0.139 nan 8.300 nan 0.000 0.565 348 L N -0.324 120.857 121.223 -0.070 0.000 2.356 348 L HA 0.399 4.743 4.340 0.007 0.000 0.277 348 L C -0.758 176.035 176.870 -0.128 0.000 0.996 348 L CA -1.049 53.755 54.840 -0.059 0.000 0.822 348 L CB 1.280 43.340 42.059 0.002 0.000 1.256 348 L HN -0.101 nan 8.230 nan 0.000 0.413 349 Y N 1.177 121.480 120.300 0.005 0.000 2.326 349 Y HA 0.126 4.681 4.550 0.007 0.000 0.333 349 Y C 0.980 176.877 175.900 -0.005 0.000 1.240 349 Y CA -0.291 57.808 58.100 -0.002 0.000 1.365 349 Y CB 0.599 39.055 38.460 -0.007 0.000 1.289 349 Y HN 0.446 nan 8.280 nan 0.000 0.548 350 E N 1.224 121.526 120.200 0.170 0.000 2.392 350 E HA -0.088 4.266 4.350 0.007 0.000 0.264 350 E C -0.775 175.870 176.600 0.075 0.000 1.024 350 E CA -0.045 56.409 56.400 0.089 0.000 0.903 350 E CB 0.625 30.363 29.700 0.063 0.000 0.963 350 E HN 0.495 nan 8.360 nan 0.000 0.432 351 D N 2.123 122.551 120.400 0.047 0.000 2.551 351 D HA 0.056 4.700 4.640 0.007 0.000 0.223 351 D C -1.006 175.305 176.300 0.019 0.000 1.144 351 D CA -0.093 53.926 54.000 0.031 0.000 1.025 351 D CB -0.347 40.468 40.800 0.025 0.000 1.085 351 D HN 0.336 nan 8.370 nan 0.000 0.506 352 S N 0.818 116.526 115.700 0.014 0.000 2.625 352 S HA 0.359 4.833 4.470 0.007 0.000 0.271 352 S C 1.266 175.863 174.600 -0.006 0.000 1.161 352 S CA -0.859 57.345 58.200 0.006 0.000 0.820 352 S CB 0.498 63.705 63.200 0.011 0.000 1.137 352 S HN 0.093 nan 8.310 nan 0.000 0.470 353 I N 1.063 121.627 120.570 -0.009 0.000 2.151 353 I HA -0.213 3.961 4.170 0.007 0.000 0.243 353 I C 2.882 178.985 176.117 -0.024 0.000 1.080 353 I CA 2.040 63.328 61.300 -0.018 0.000 1.339 353 I CB -0.713 37.278 38.000 -0.015 0.000 1.039 353 I HN 0.875 nan 8.210 nan 0.000 0.409 354 A N 0.678 123.490 122.820 -0.013 0.000 1.898 354 A HA -0.101 4.223 4.320 0.007 0.000 0.216 354 A C 2.433 180.011 177.584 -0.009 0.000 1.181 354 A CA 1.783 53.813 52.037 -0.011 0.000 0.620 354 A CB -1.376 17.625 19.000 0.002 0.000 0.819 354 A HN 0.472 nan 8.150 nan 0.000 0.442 355 G N -0.614 108.190 108.800 0.007 0.000 2.422 355 G HA2 -0.208 3.756 3.960 0.007 0.000 0.218 355 G HA3 -0.208 3.756 3.960 0.007 0.000 0.218 355 G C 1.781 176.617 174.900 -0.105 0.000 1.146 355 G CA 0.858 45.976 45.100 0.030 0.000 0.769 355 G HN 0.560 nan 8.290 nan 0.000 0.547 356 R N 0.177 120.613 120.500 -0.106 0.000 2.090 356 R HA 0.046 4.390 4.340 0.007 0.000 0.228 356 R C 2.491 178.682 176.300 -0.181 0.000 1.110 356 R CA 1.084 57.085 56.100 -0.165 0.000 0.973 356 R CB -0.166 30.075 30.300 -0.097 0.000 0.869 356 R HN 0.432 nan 8.270 nan 0.000 0.440 357 E N 0.505 120.632 120.200 -0.121 0.000 2.110 357 E HA -0.216 4.138 4.350 0.007 0.000 0.193 357 E C 1.840 178.361 176.600 -0.132 0.000 0.988 357 E CA 1.008 57.341 56.400 -0.112 0.000 0.804 357 E CB 0.074 29.732 29.700 -0.070 0.000 0.745 357 E HN 0.363 nan 8.360 nan 0.000 0.458 358 E N 0.973 121.099 120.200 -0.124 0.000 2.072 358 E HA -0.167 4.187 4.350 0.007 0.000 0.190 358 E C 2.187 178.653 176.600 -0.223 0.000 0.982 358 E CA 0.371 56.720 56.400 -0.085 0.000 0.803 358 E CB 0.011 29.749 29.700 0.063 0.000 0.755 358 E HN 0.217 nan 8.360 nan 0.000 0.453 359 L N 0.780 121.657 121.223 -0.577 0.000 1.989 359 L HA -0.228 4.116 4.340 0.007 0.000 0.211 359 L C 2.426 179.073 176.870 -0.371 0.000 1.071 359 L CA 1.351 55.715 54.840 -0.794 0.000 0.749 359 L CB -0.209 41.241 42.059 -1.014 0.000 0.890 359 L HN 0.252 nan 8.230 nan 0.000 0.431 360 L N -0.979 120.066 121.223 -0.296 0.000 2.083 360 L HA -0.227 4.117 4.340 0.007 0.000 0.209 360 L C 2.803 179.555 176.870 -0.198 0.000 1.083 360 L CA 1.363 56.063 54.840 -0.233 0.000 0.752 360 L CB -0.611 41.329 42.059 -0.200 0.000 0.899 360 L HN 0.339 nan 8.230 nan 0.000 0.433 361 S N -0.255 115.341 115.700 -0.173 0.000 2.370 361 S HA -0.216 4.258 4.470 0.007 0.000 0.226 361 S C 1.639 176.127 174.600 -0.187 0.000 1.033 361 S CA 1.735 59.849 58.200 -0.142 0.000 1.011 361 S CB -0.196 62.945 63.200 -0.099 0.000 0.852 361 S HN 0.411 nan 8.310 nan 0.000 0.457 362 D N 1.004 121.265 120.400 -0.231 0.000 2.117 362 D HA -0.013 4.631 4.640 0.007 0.000 0.198 362 D C 1.892 177.773 176.300 -0.700 0.000 0.982 362 D CA 1.028 54.784 54.000 -0.408 0.000 0.828 362 D CB -0.357 40.285 40.800 -0.264 0.000 0.967 362 D HN 0.447 nan 8.370 nan 0.000 0.464 363 I N 0.686 121.008 120.570 -0.413 0.000 2.252 363 I HA -0.233 3.941 4.170 0.007 0.000 0.245 363 I C 1.744 177.796 176.117 -0.107 0.000 1.102 363 I CA 0.855 62.019 61.300 -0.225 0.000 1.385 363 I CB -0.185 37.774 38.000 -0.069 0.000 1.064 363 I HN -0.047 nan 8.210 nan 0.000 0.414 364 N N 0.587 119.210 118.700 -0.127 0.000 2.166 364 N HA -0.137 4.607 4.740 0.007 0.000 0.186 364 N C 1.926 177.414 175.510 -0.037 0.000 1.019 364 N CA 1.274 54.290 53.050 -0.058 0.000 0.856 364 N CB -0.258 38.183 38.487 -0.077 0.000 0.993 364 N HN 0.375 nan 8.380 nan 0.000 0.426 365 G N -0.048 108.685 108.800 -0.112 0.000 2.418 365 G HA2 -0.251 3.713 3.960 0.007 0.000 0.217 365 G HA3 -0.251 3.713 3.960 0.007 0.000 0.217 365 G C 0.868 175.802 174.900 0.057 0.000 1.158 365 G CA 0.660 45.720 45.100 -0.067 0.000 0.771 365 G HN 0.258 nan 8.290 nan 0.000 0.545 366 Y N 0.769 121.103 120.300 0.056 0.000 2.207 366 Y HA -0.008 4.546 4.550 0.006 0.000 0.287 366 Y C 2.723 178.706 175.900 0.138 0.000 1.156 366 Y CA 0.046 58.202 58.100 0.092 0.000 1.182 366 Y CB -0.670 37.810 38.460 0.034 0.000 0.979 366 Y HN 0.165 nan 8.280 nan 0.000 0.521 367 I N -0.820 119.906 120.570 0.261 0.000 2.163 367 I HA -0.299 3.875 4.170 0.007 0.000 0.240 367 I C 2.195 178.385 176.117 0.122 0.000 1.081 367 I CA 1.765 63.178 61.300 0.188 0.000 1.353 367 I CB -0.757 37.333 38.000 0.150 0.000 1.054 367 I HN 0.151 nan 8.210 nan 0.000 0.407 368 T N 0.026 114.638 114.554 0.096 0.000 2.665 368 T HA -0.285 4.069 4.350 0.007 0.000 0.268 368 T C 1.793 176.530 174.700 0.063 0.000 1.035 368 T CA 1.907 64.048 62.100 0.068 0.000 1.151 368 T CB -0.352 68.545 68.868 0.049 0.000 0.862 368 T HN 0.449 nan 8.240 nan 0.000 0.438 369 E N 0.190 120.441 120.200 0.084 0.000 2.051 369 E HA -0.125 4.229 4.350 0.007 0.000 0.192 369 E C 2.318 178.928 176.600 0.018 0.000 0.991 369 E CA 1.106 57.545 56.400 0.064 0.000 0.799 369 E CB -0.224 29.539 29.700 0.106 0.000 0.748 369 E HN 0.280 nan 8.360 nan 0.000 0.449 370 V N 0.532 120.458 119.914 0.019 0.000 2.453 370 V HA -0.182 3.942 4.120 0.007 0.000 0.247 370 V C 2.044 178.048 176.094 -0.150 0.000 1.048 370 V CA 2.347 64.575 62.300 -0.119 0.000 1.049 370 V CB -0.429 31.249 31.823 -0.241 0.000 0.672 370 V HN 0.407 nan 8.190 nan 0.000 0.457 371 T N 0.546 115.040 114.554 -0.100 0.000 2.788 371 T HA -0.121 4.233 4.350 0.007 0.000 0.268 371 T C 1.943 176.605 174.700 -0.062 0.000 1.044 371 T CA 1.630 63.651 62.100 -0.132 0.000 1.139 371 T CB -0.434 68.430 68.868 -0.007 0.000 0.867 371 T HN 0.654 nan 8.240 nan 0.000 0.454 372 A N 1.413 124.225 122.820 -0.013 0.000 1.872 372 A HA 0.001 4.325 4.320 0.007 0.000 0.214 372 A C 2.249 179.832 177.584 -0.000 0.000 1.187 372 A CA 1.378 53.422 52.037 0.012 0.000 0.614 372 A CB -0.358 18.656 19.000 0.024 0.000 0.826 372 A HN 0.298 nan 8.150 nan 0.000 0.442 373 K N -0.037 120.347 120.400 -0.026 0.000 2.211 373 K HA -0.037 4.287 4.320 0.007 0.000 0.203 373 K C 1.988 178.577 176.600 -0.018 0.000 1.050 373 K CA 1.511 57.781 56.287 -0.028 0.000 0.945 373 K CB -0.339 32.126 32.500 -0.057 0.000 0.732 373 K HN 0.789 nan 8.250 nan 0.000 0.451 374 M N -2.047 117.530 119.600 -0.037 0.000 2.558 374 M HA 0.197 4.681 4.480 0.007 0.000 0.255 374 M C 1.817 178.203 176.300 0.142 0.000 1.113 374 M CA 1.136 56.465 55.300 0.049 0.000 1.097 374 M CB -0.027 32.533 32.600 -0.067 0.000 1.426 374 M HN -0.018 nan 8.290 nan 0.000 0.488 375 A N 2.039 124.910 122.820 0.085 0.000 1.948 375 A HA -0.061 4.263 4.320 0.007 0.000 0.220 375 A C -0.311 177.353 177.584 0.134 0.000 1.177 375 A CA 1.379 53.499 52.037 0.138 0.000 0.636 375 A CB -1.879 17.189 19.000 0.113 0.000 0.815 375 A HN 0.501 nan 8.150 nan 0.000 0.449 376 P HA -0.063 nan 4.420 nan 0.000 0.223 376 P C 1.110 178.433 177.300 0.038 0.000 1.151 376 P CA 1.603 64.738 63.100 0.057 0.000 0.787 376 P CB -0.057 31.664 31.700 0.034 0.000 0.788 377 V N -7.344 112.592 119.914 0.037 0.000 3.528 377 V HA 0.370 4.494 4.120 0.007 0.000 0.294 377 V C 0.002 175.979 176.094 -0.194 0.000 1.404 377 V CA 0.040 62.295 62.300 -0.075 0.000 1.065 377 V CB -0.829 30.928 31.823 -0.110 0.000 0.904 377 V HN -0.193 nan 8.190 nan 0.000 0.435 378 F N 0.919 120.984 119.950 0.192 0.000 2.660 378 F HA 0.602 5.133 4.527 0.006 0.000 0.352 378 F C 1.227 177.198 175.800 0.285 0.000 1.257 378 F CA -0.708 57.442 58.000 0.249 0.000 1.200 378 F CB 1.284 40.328 39.000 0.073 0.000 1.473 378 F HN -0.150 nan 8.300 nan 0.000 0.561 379 R N -0.571 120.125 120.500 0.327 0.000 2.276 379 R HA 0.135 4.479 4.340 0.007 0.000 0.196 379 R C 0.161 176.587 176.300 0.210 0.000 0.961 379 R CA 0.457 56.692 56.100 0.225 0.000 1.024 379 R CB 0.232 30.605 30.300 0.123 0.000 0.940 379 R HN 0.233 nan 8.270 nan 0.000 0.480 380 T N 1.402 116.095 114.554 0.231 0.000 2.743 380 T HA 0.210 4.564 4.350 0.007 0.000 0.292 380 T C -0.205 174.527 174.700 0.053 0.000 0.972 380 T CA -0.233 61.932 62.100 0.109 0.000 0.967 380 T CB 1.854 70.736 68.868 0.023 0.000 0.926 380 T HN -0.072 nan 8.240 nan 0.000 0.459 381 T N 6.596 121.134 114.554 -0.028 0.000 2.799 381 T HA 0.438 4.792 4.350 0.007 0.000 0.286 381 T C -2.044 172.431 174.700 -0.375 0.000 0.973 381 T CA -1.263 60.683 62.100 -0.258 0.000 1.035 381 T CB 0.910 69.791 68.868 0.022 0.000 0.932 381 T HN 0.375 nan 8.240 nan 0.000 0.469 382 P HA 0.138 nan 4.420 nan 0.000 0.272 382 P C 0.853 178.057 177.300 -0.159 0.000 1.230 382 P CA -0.369 62.504 63.100 -0.378 0.000 0.788 382 P CB 0.696 32.104 31.700 -0.486 0.000 0.949 383 S N 0.136 115.776 115.700 -0.100 0.000 2.453 383 S HA -0.063 4.411 4.470 0.007 0.000 0.231 383 S C 0.540 175.069 174.600 -0.118 0.000 1.005 383 S CA 0.414 58.527 58.200 -0.145 0.000 0.949 383 S CB -0.903 62.141 63.200 -0.261 0.000 0.774 383 S HN 0.406 nan 8.310 nan 0.000 0.510 384 Y N 2.428 122.738 120.300 0.017 0.000 2.310 384 Y HA 0.529 5.083 4.550 0.006 0.000 0.326 384 Y C 0.548 176.597 175.900 0.249 0.000 1.151 384 Y CA -0.890 57.282 58.100 0.121 0.000 1.195 384 Y CB 0.778 39.330 38.460 0.155 0.000 1.210 384 Y HN 0.152 nan 8.280 nan 0.000 0.483 385 Q N 2.094 122.093 119.800 0.331 0.000 2.230 385 Q HA 0.388 4.732 4.340 0.007 0.000 0.253 385 Q C -0.622 175.383 176.000 0.008 0.000 0.919 385 Q CA -0.796 55.123 55.803 0.193 0.000 0.908 385 Q CB 2.540 31.336 28.738 0.097 0.000 1.245 385 Q HN 0.542 nan 8.270 nan 0.000 0.437 386 V N 1.452 121.193 119.914 -0.290 0.000 2.644 386 V HA 0.282 4.406 4.120 0.007 0.000 0.295 386 V C -0.282 175.729 176.094 -0.137 0.000 1.053 386 V CA -0.225 61.828 62.300 -0.411 0.000 0.987 386 V CB 1.563 33.005 31.823 -0.635 0.000 1.006 386 V HN 0.744 nan 8.190 nan 0.000 0.472 387 E N 3.126 123.255 120.200 -0.119 0.000 2.227 387 E HA 0.567 4.922 4.350 0.007 0.000 0.268 387 E C -1.574 174.911 176.600 -0.192 0.000 0.907 387 E CA -0.705 55.610 56.400 -0.141 0.000 0.786 387 E CB 2.338 31.937 29.700 -0.167 0.000 1.191 387 E HN 0.558 nan 8.360 nan 0.000 0.411 388 V N 3.247 123.028 119.914 -0.221 0.000 2.435 388 V HA 0.413 4.537 4.120 0.007 0.000 0.290 388 V C -0.315 175.527 176.094 -0.421 0.000 1.030 388 V CA -0.547 61.545 62.300 -0.348 0.000 0.881 388 V CB 1.379 33.008 31.823 -0.324 0.000 0.983 388 V HN 0.566 nan 8.190 nan 0.000 0.445 389 K N 2.187 122.238 120.400 -0.582 0.000 2.469 389 K HA 0.577 4.901 4.320 0.007 0.000 0.254 389 K C -0.479 175.907 176.600 -0.358 0.000 0.939 389 K CA -0.607 55.375 56.287 -0.508 0.000 0.812 389 K CB 2.415 34.446 32.500 -0.782 0.000 1.301 389 K HN 0.757 nan 8.250 nan 0.000 0.433 390 S N 1.045 116.653 115.700 -0.154 0.000 2.580 390 S HA 0.339 4.813 4.470 0.007 0.000 0.274 390 S C 0.004 174.726 174.600 0.202 0.000 1.329 390 S CA -0.707 57.483 58.200 -0.017 0.000 1.036 390 S CB 0.069 63.272 63.200 0.006 0.000 0.919 390 S HN 0.305 nan 8.310 nan 0.000 0.515 391 F N 2.363 122.484 119.950 0.286 0.000 2.572 391 F HA 0.269 4.800 4.527 0.007 0.000 0.370 391 F C -1.736 174.133 175.800 0.114 0.000 1.103 391 F CA -1.306 56.822 58.000 0.213 0.000 1.286 391 F CB -0.526 38.511 39.000 0.063 0.000 1.105 391 F HN 0.398 nan 8.300 nan 0.000 0.583 392 P HA -0.056 nan 4.420 nan 0.000 0.267 392 P C 0.885 178.245 177.300 0.100 0.000 1.200 392 P CA 0.051 63.243 63.100 0.153 0.000 0.772 392 P CB 0.502 32.265 31.700 0.105 0.000 0.855 393 V N 0.679 120.629 119.914 0.061 0.000 2.469 393 V HA -0.254 3.870 4.120 0.007 0.000 0.251 393 V C 1.534 177.629 176.094 0.001 0.000 1.064 393 V CA 1.782 64.101 62.300 0.031 0.000 1.066 393 V CB -1.390 30.444 31.823 0.017 0.000 0.667 393 V HN 0.331 nan 8.190 nan 0.000 0.461 394 E N 0.288 120.483 120.200 -0.007 0.000 2.204 394 E HA -0.043 4.311 4.350 0.007 0.000 0.195 394 E C 1.826 178.387 176.600 -0.065 0.000 0.990 394 E CA 1.444 57.819 56.400 -0.041 0.000 0.821 394 E CB -0.078 29.595 29.700 -0.046 0.000 0.750 394 E HN 0.536 nan 8.360 nan 0.000 0.477 395 V N 0.303 120.183 119.914 -0.058 0.000 3.432 395 V HA -0.030 4.094 4.120 0.007 0.000 0.298 395 V C 1.591 177.587 176.094 -0.162 0.000 1.464 395 V CA 0.406 62.641 62.300 -0.108 0.000 1.046 395 V CB 0.196 31.952 31.823 -0.112 0.000 0.887 395 V HN 0.289 nan 8.190 nan 0.000 0.441 396 Q N -0.821 118.923 119.800 -0.092 0.000 2.224 396 Q HA -0.222 4.122 4.340 0.007 0.000 0.203 396 Q C 1.257 177.180 176.000 -0.129 0.000 0.970 396 Q CA 2.019 57.756 55.803 -0.109 0.000 0.865 396 Q CB -0.289 28.463 28.738 0.023 0.000 0.922 396 Q HN 0.467 nan 8.270 nan 0.000 0.445 397 D N 1.479 121.824 120.400 -0.093 0.000 2.117 397 D HA -0.099 4.545 4.640 0.007 0.000 0.197 397 D C 1.969 178.212 176.300 -0.097 0.000 0.987 397 D CA 1.689 55.643 54.000 -0.076 0.000 0.829 397 D CB -0.492 40.275 40.800 -0.055 0.000 0.961 397 D HN 0.520 nan 8.370 nan 0.000 0.460 398 G N -0.118 108.609 108.800 -0.121 0.000 2.572 398 G HA2 0.168 4.132 3.960 0.007 0.000 0.216 398 G HA3 0.168 4.132 3.960 0.007 0.000 0.216 398 G C 0.635 175.417 174.900 -0.196 0.000 1.133 398 G CA 0.559 45.586 45.100 -0.122 0.000 0.791 398 G HN 0.435 nan 8.290 nan 0.000 0.538 399 A N 0.772 123.393 122.820 -0.332 0.000 2.304 399 A HA 0.681 5.005 4.320 0.007 0.000 0.271 399 A C -1.664 175.712 177.584 -0.346 0.000 1.091 399 A CA -1.149 50.541 52.037 -0.578 0.000 0.812 399 A CB 0.686 18.835 19.000 -1.419 0.000 1.056 399 A HN 0.183 nan 8.150 nan 0.000 0.489 400 P HA 0.169 nan 4.420 nan 0.000 0.277 400 P C 1.035 178.414 177.300 0.133 0.000 1.276 400 P CA 0.301 63.408 63.100 0.012 0.000 0.788 400 P CB 0.325 32.105 31.700 0.135 0.000 1.114 401 G N -1.116 107.773 108.800 0.150 0.000 2.422 401 G HA2 0.223 4.187 3.960 0.007 0.000 0.218 401 G HA3 0.223 4.187 3.960 0.007 0.000 0.218 401 G C 0.656 175.748 174.900 0.319 0.000 1.140 401 G CA 0.772 45.981 45.100 0.183 0.000 0.775 401 G HN 0.853 nan 8.290 nan 0.000 0.545 402 G N -1.753 107.274 108.800 0.378 0.000 2.703 402 G HA2 0.562 4.526 3.960 0.007 0.000 0.294 402 G HA3 0.562 4.526 3.960 0.007 0.000 0.294 402 G C -1.810 173.389 174.900 0.497 0.000 1.451 402 G CA -0.401 44.979 45.100 0.466 0.000 0.869 402 G HN 0.347 nan 8.290 nan 0.000 0.516 403 Q N -0.447 119.688 119.800 0.558 0.000 2.527 403 Q HA 0.507 4.851 4.340 0.007 0.000 0.280 403 Q C -2.336 174.030 176.000 0.610 0.000 0.977 403 Q CA -0.932 55.197 55.803 0.543 0.000 0.837 403 Q CB 2.753 31.813 28.738 0.537 0.000 1.454 403 Q HN 0.694 nan 8.270 nan 0.000 0.387 404 Y N 1.660 122.196 120.300 0.393 0.000 2.352 404 Y HA 0.577 5.131 4.550 0.007 0.000 0.339 404 Y C -0.980 175.082 175.900 0.269 0.000 0.992 404 Y CA -0.206 58.095 58.100 0.335 0.000 1.100 404 Y CB 1.799 40.428 38.460 0.282 0.000 1.192 404 Y HN 0.590 nan 8.280 nan 0.000 0.458 405 T N 1.915 116.253 114.554 -0.360 0.000 2.797 405 T HA 0.596 4.950 4.350 0.007 0.000 0.279 405 T C -0.347 173.913 174.700 -0.733 0.000 0.991 405 T CA -0.882 61.032 62.100 -0.310 0.000 0.979 405 T CB 1.095 70.021 68.868 0.096 0.000 0.943 405 T HN 0.592 nan 8.240 nan 0.000 0.444 406 S N 4.317 119.782 115.700 -0.391 0.000 2.585 406 S HA 0.409 4.883 4.470 0.007 0.000 0.273 406 S C -2.295 172.220 174.600 -0.141 0.000 1.339 406 S CA -0.907 57.167 58.200 -0.209 0.000 1.028 406 S CB -0.069 63.151 63.200 0.033 0.000 0.906 406 S HN 0.693 nan 8.310 nan 0.000 0.528 407 P HA 0.192 nan 4.420 nan 0.000 0.265 407 P C -0.720 176.565 177.300 -0.026 0.000 1.193 407 P CA -0.261 62.787 63.100 -0.087 0.000 0.765 407 P CB 0.115 31.649 31.700 -0.277 0.000 0.823 408 A N 3.009 125.861 122.820 0.054 0.000 2.445 408 A HA 0.199 4.523 4.320 0.007 0.000 0.242 408 A C 1.461 179.139 177.584 0.157 0.000 1.075 408 A CA -0.035 52.068 52.037 0.109 0.000 0.777 408 A CB -0.196 18.861 19.000 0.096 0.000 1.013 408 A HN 0.536 nan 8.150 nan 0.000 0.493 409 V N -0.763 119.266 119.914 0.192 0.000 3.217 409 V HA -0.010 4.114 4.120 0.007 0.000 0.264 409 V C 0.994 177.195 176.094 0.177 0.000 1.135 409 V CA 1.713 64.146 62.300 0.222 0.000 1.142 409 V CB -0.703 31.280 31.823 0.268 0.000 0.754 409 V HN 0.851 nan 8.190 nan 0.000 0.484 410 D N 0.336 120.813 120.400 0.130 0.000 2.325 410 D HA 0.231 4.875 4.640 0.007 0.000 0.225 410 D C 1.630 177.983 176.300 0.089 0.000 1.096 410 D CA 0.512 54.564 54.000 0.087 0.000 0.844 410 D CB 0.169 40.999 40.800 0.051 0.000 0.925 410 D HN 0.763 nan 8.370 nan 0.000 0.513 411 G N 0.640 109.518 108.800 0.130 0.000 2.179 411 G HA2 -0.384 3.580 3.960 0.007 0.000 0.260 411 G HA3 -0.384 3.580 3.960 0.007 0.000 0.260 411 G C 1.160 176.116 174.900 0.093 0.000 0.977 411 G CA 0.866 46.033 45.100 0.112 0.000 0.641 411 G HN 0.676 nan 8.290 nan 0.000 0.533 412 S N -1.043 114.708 115.700 0.086 0.000 2.496 412 S HA 0.332 4.806 4.470 0.007 0.000 0.224 412 S C 0.702 175.342 174.600 0.068 0.000 0.996 412 S CA 1.497 59.736 58.200 0.066 0.000 0.927 412 S CB 0.445 63.679 63.200 0.058 0.000 0.774 412 S HN 0.831 nan 8.310 nan 0.000 0.524 413 K N 1.700 122.150 120.400 0.083 0.000 2.565 413 K HA 0.457 4.781 4.320 0.007 0.000 0.251 413 K C -3.250 173.397 176.600 0.079 0.000 0.956 413 K CA -1.797 54.534 56.287 0.073 0.000 0.809 413 K CB 2.083 34.624 32.500 0.069 0.000 1.267 413 K HN -0.019 nan 8.250 nan 0.000 0.438 414 P HA 0.208 nan 4.420 nan 0.000 0.279 414 P C -0.284 177.030 177.300 0.023 0.000 1.276 414 P CA -0.370 62.778 63.100 0.079 0.000 0.801 414 P CB 0.684 32.416 31.700 0.053 0.000 1.127 415 G N 0.449 109.296 108.800 0.078 0.000 2.361 415 G HA2 0.457 4.421 3.960 0.007 0.000 0.260 415 G HA3 0.457 4.421 3.960 0.007 0.000 0.260 415 G C -0.342 174.524 174.900 -0.056 0.000 1.261 415 G CA -0.358 44.769 45.100 0.044 0.000 0.897 415 G HN 0.356 nan 8.290 nan 0.000 0.499 416 I N 2.000 122.417 120.570 -0.254 0.000 2.498 416 I HA 0.185 4.359 4.170 0.007 0.000 0.290 416 I C -1.042 174.973 176.117 -0.171 0.000 1.032 416 I CA -1.154 59.942 61.300 -0.339 0.000 1.073 416 I CB 2.328 39.907 38.000 -0.701 0.000 1.251 416 I HN 0.479 nan 8.210 nan 0.000 0.426 417 Y N 6.325 126.504 120.300 -0.202 0.000 2.404 417 Y HA 0.371 4.924 4.550 0.006 0.000 0.344 417 Y C -1.327 174.386 175.900 -0.312 0.000 0.970 417 Y CA -1.968 56.116 58.100 -0.026 0.000 1.180 417 Y CB 0.355 38.854 38.460 0.065 0.000 1.138 417 Y HN 0.424 nan 8.280 nan 0.000 0.510 418 W N 7.876 129.172 121.300 -0.007 0.000 2.316 418 W HA 0.553 5.217 4.660 0.007 0.000 0.311 418 W C -0.520 175.734 176.519 -0.442 0.000 1.217 418 W CA -0.485 56.550 57.345 -0.516 0.000 1.199 418 W CB 1.011 29.833 29.460 -1.063 0.000 1.202 418 W HN 0.484 nan 8.180 nan 0.000 0.528 419 I N 3.757 124.145 120.570 -0.302 0.000 2.545 419 I HA 0.281 4.455 4.170 0.007 0.000 0.292 419 I C -0.581 175.612 176.117 0.126 0.000 1.040 419 I CA -0.868 60.395 61.300 -0.062 0.000 1.068 419 I CB 1.195 39.076 38.000 -0.198 0.000 1.251 419 I HN 0.295 nan 8.210 nan 0.000 0.424 420 N N 7.686 126.598 118.700 0.353 0.000 2.406 420 N HA 0.254 4.998 4.740 0.007 0.000 0.251 420 N C -0.194 175.413 175.510 0.161 0.000 1.069 420 N CA 0.020 53.302 53.050 0.387 0.000 0.947 420 N CB 0.907 39.596 38.487 0.338 0.000 1.111 420 N HN 0.673 nan 8.380 nan 0.000 0.497 421 L N 3.513 124.807 121.223 0.119 0.000 2.818 421 L HA 0.218 4.562 4.340 0.007 0.000 0.243 421 L C 2.108 179.002 176.870 0.040 0.000 1.185 421 L CA -0.142 54.724 54.840 0.044 0.000 0.988 421 L CB 0.032 42.093 42.059 0.002 0.000 1.292 421 L HN 0.506 nan 8.230 nan 0.000 0.519 422 R N 0.971 121.503 120.500 0.053 0.000 2.083 422 R HA -0.152 4.192 4.340 0.007 0.000 0.237 422 R C 0.179 176.491 176.300 0.020 0.000 1.137 422 R CA 1.520 57.638 56.100 0.030 0.000 0.951 422 R CB 0.234 30.546 30.300 0.020 0.000 0.851 422 R HN 0.179 nan 8.270 nan 0.000 0.434 423 D N -0.292 120.122 120.400 0.022 0.000 2.469 423 D HA 0.094 4.738 4.640 0.007 0.000 0.251 423 D C 0.889 177.205 176.300 0.026 0.000 1.173 423 D CA -0.329 53.682 54.000 0.019 0.000 0.882 423 D CB 1.245 42.053 40.800 0.013 0.000 1.129 423 D HN -0.060 nan 8.370 nan 0.000 0.549 424 M N 2.528 122.148 119.600 0.033 0.000 2.202 424 M HA -0.108 4.376 4.480 0.007 0.000 0.262 424 M C 1.442 177.772 176.300 0.049 0.000 1.063 424 M CA 1.256 56.590 55.300 0.057 0.000 1.097 424 M CB -0.435 32.212 32.600 0.079 0.000 1.382 424 M HN 0.419 nan 8.290 nan 0.000 0.413 425 K N -0.401 120.017 120.400 0.029 0.000 2.362 425 K HA 0.017 4.341 4.320 0.007 0.000 0.200 425 K C 1.628 178.224 176.600 -0.007 0.000 1.046 425 K CA 1.081 57.376 56.287 0.014 0.000 0.952 425 K CB -0.109 32.403 32.500 0.019 0.000 0.753 425 K HN 0.271 nan 8.250 nan 0.000 0.466 426 A N 1.198 124.016 122.820 -0.003 0.000 2.251 426 A HA 0.041 4.365 4.320 0.007 0.000 0.209 426 A C 0.448 178.015 177.584 -0.027 0.000 1.187 426 A CA 0.157 52.184 52.037 -0.016 0.000 0.823 426 A CB 0.092 19.091 19.000 -0.001 0.000 0.846 426 A HN 0.164 nan 8.150 nan 0.000 0.486 427 N N 1.465 120.154 118.700 -0.018 0.000 2.696 427 N HA 0.186 4.930 4.740 0.007 0.000 0.308 427 N C -3.097 172.387 175.510 -0.043 0.000 1.915 427 N CA -0.892 52.154 53.050 -0.007 0.000 0.906 427 N CB 1.024 39.542 38.487 0.052 0.000 1.284 427 N HN 0.294 nan 8.380 nan 0.000 0.488 428 P HA 0.045 nan 4.420 nan 0.000 0.266 428 P C 0.595 177.645 177.300 -0.418 0.000 1.195 428 P CA -0.023 62.797 63.100 -0.465 0.000 0.768 428 P CB 1.620 32.667 31.700 -1.088 0.000 0.838 429 K N 1.789 122.067 120.400 -0.203 0.000 2.147 429 K HA -0.124 4.200 4.320 0.007 0.000 0.205 429 K C 1.751 178.374 176.600 0.039 0.000 1.049 429 K CA 1.605 57.905 56.287 0.022 0.000 0.936 429 K CB -0.620 31.930 32.500 0.083 0.000 0.722 429 K HN 0.546 nan 8.250 nan 0.000 0.446 430 F N -0.746 119.184 119.950 -0.033 0.000 2.641 430 F HA 0.096 4.627 4.527 0.006 0.000 0.298 430 F C 1.519 177.289 175.800 -0.051 0.000 1.146 430 F CA 0.633 58.571 58.000 -0.103 0.000 1.464 430 F CB -0.718 38.031 39.000 -0.419 0.000 1.101 430 F HN -0.151 nan 8.300 nan 0.000 0.585 431 G N 0.221 108.992 108.800 -0.048 0.000 3.044 431 G HA2 0.194 4.158 3.960 0.007 0.000 0.223 431 G HA3 0.194 4.158 3.960 0.007 0.000 0.223 431 G C 1.348 176.261 174.900 0.022 0.000 1.123 431 G CA 0.021 45.133 45.100 0.021 0.000 0.765 431 G HN 0.417 nan 8.290 nan 0.000 0.546 432 L N -0.107 121.149 121.223 0.055 0.000 2.179 432 L HA 0.119 4.463 4.340 0.007 0.000 0.208 432 L C 2.754 179.627 176.870 0.005 0.000 1.096 432 L CA 0.678 55.589 54.840 0.117 0.000 0.779 432 L CB -0.143 42.082 42.059 0.277 0.000 0.922 432 L HN 0.087 nan 8.230 nan 0.000 0.443 433 K N -0.507 119.757 120.400 -0.226 0.000 2.032 433 K HA -0.189 4.135 4.320 0.007 0.000 0.209 433 K C 2.199 178.381 176.600 -0.697 0.000 1.048 433 K CA 1.946 57.778 56.287 -0.758 0.000 0.927 433 K CB -0.346 31.682 32.500 -0.786 0.000 0.712 433 K HN 0.107 nan 8.250 nan 0.000 0.441 434 T N 1.129 115.596 114.554 -0.144 0.000 2.821 434 T HA -0.094 4.260 4.350 0.007 0.000 0.267 434 T C 1.716 176.401 174.700 -0.025 0.000 1.046 434 T CA 0.817 62.932 62.100 0.025 0.000 1.139 434 T CB -0.101 68.832 68.868 0.108 0.000 0.871 434 T HN 0.083 nan 8.240 nan 0.000 0.454 435 L N 0.829 122.027 121.223 -0.042 0.000 2.056 435 L HA 0.023 4.367 4.340 0.007 0.000 0.207 435 L C 2.530 179.355 176.870 -0.076 0.000 1.078 435 L CA 1.969 56.806 54.840 -0.006 0.000 0.749 435 L CB -1.078 41.021 42.059 0.066 0.000 0.901 435 L HN 0.186 nan 8.230 nan 0.000 0.433 436 T N -1.120 113.369 114.554 -0.108 0.000 2.777 436 T HA -0.156 4.198 4.350 0.007 0.000 0.266 436 T C 1.686 176.302 174.700 -0.140 0.000 1.040 436 T CA 1.664 63.673 62.100 -0.151 0.000 1.141 436 T CB -0.376 68.539 68.868 0.079 0.000 0.868 436 T HN 0.296 nan 8.240 nan 0.000 0.444 437 Y N 0.858 121.133 120.300 -0.042 0.000 2.242 437 Y HA -0.049 4.504 4.550 0.006 0.000 0.291 437 Y C 2.541 178.371 175.900 -0.116 0.000 1.137 437 Y CA 0.066 58.115 58.100 -0.085 0.000 1.181 437 Y CB -1.137 37.282 38.460 -0.068 0.000 0.989 437 Y HN 0.404 nan 8.280 nan 0.000 0.527 438 H N 0.705 119.745 119.070 -0.051 0.000 2.321 438 H HA -0.116 4.444 4.556 0.006 0.000 0.300 438 H C 1.448 176.636 175.328 -0.235 0.000 1.087 438 H CA 1.920 57.879 56.048 -0.148 0.000 1.319 438 H CB 0.416 30.120 29.762 -0.096 0.000 1.379 438 H HN 0.280 nan 8.280 nan 0.000 0.501 439 E N 0.084 120.216 120.200 -0.112 0.000 2.170 439 E HA 0.049 4.403 4.350 0.007 0.000 0.191 439 E C 1.648 178.137 176.600 -0.184 0.000 0.981 439 E CA 0.698 57.019 56.400 -0.132 0.000 0.830 439 E CB 0.151 29.596 29.700 -0.424 0.000 0.775 439 E HN 0.485 nan 8.360 nan 0.000 0.470 440 A N 1.278 123.978 122.820 -0.199 0.000 2.940 440 A HA 0.254 4.578 4.320 0.007 0.000 0.210 440 A C 0.282 177.902 177.584 0.060 0.000 2.267 440 A CA -0.175 51.849 52.037 -0.023 0.000 1.544 440 A CB 0.064 19.098 19.000 0.057 0.000 1.180 440 A HN 0.042 nan 8.150 nan 0.000 0.403 441 N N 0.407 119.147 118.700 0.066 0.000 2.342 441 N HA 0.452 5.196 4.740 0.007 0.000 0.293 441 N C -2.689 172.726 175.510 -0.158 0.000 1.026 441 N CA -1.695 51.334 53.050 -0.035 0.000 0.857 441 N CB 1.752 40.199 38.487 -0.067 0.000 1.256 441 N HN 0.121 nan 8.380 nan 0.000 0.484 442 P HA 0.157 nan 4.420 nan 0.000 0.256 442 P C 0.708 178.000 177.300 -0.013 0.000 1.384 442 P CA 0.019 62.804 63.100 -0.525 0.000 0.879 442 P CB 0.209 31.325 31.700 -0.974 0.000 1.403 443 G N 0.210 109.004 108.800 -0.010 0.000 3.224 443 G HA2 -0.066 3.898 3.960 0.007 0.000 0.161 443 G HA3 -0.066 3.898 3.960 0.007 0.000 0.161 443 G C 1.072 176.053 174.900 0.136 0.000 1.872 443 G CA 0.158 45.258 45.100 -0.001 0.000 1.012 443 G HN 0.104 nan 8.290 nan 0.000 0.504 444 H N -0.562 118.449 119.070 -0.099 0.000 2.319 444 H HA -0.109 4.451 4.556 0.007 0.000 0.299 444 H C 2.280 177.333 175.328 -0.457 0.000 1.092 444 H CA 1.969 57.888 56.048 -0.215 0.000 1.302 444 H CB -0.621 28.968 29.762 -0.288 0.000 1.373 444 H HN 0.614 nan 8.280 nan 0.000 0.497 445 H N -0.102 118.612 119.070 -0.594 0.000 2.321 445 H HA -0.160 4.400 4.556 0.006 0.000 0.300 445 H C 2.430 177.726 175.328 -0.053 0.000 1.087 445 H CA 1.889 57.639 56.048 -0.496 0.000 1.319 445 H CB -0.442 29.209 29.762 -0.184 0.000 1.379 445 H HN 0.391 nan 8.280 nan 0.000 0.501 446 W N 1.235 122.405 121.300 -0.218 0.000 2.358 446 W HA -0.175 4.490 4.660 0.009 0.000 0.303 446 W C 2.225 178.581 176.519 -0.271 0.000 1.208 446 W CA 1.722 58.932 57.345 -0.225 0.000 1.274 446 W CB -0.142 29.219 29.460 -0.164 0.000 1.138 446 W HN 0.369 nan 8.180 nan 0.000 0.515 447 Q N 0.887 120.647 119.800 -0.066 0.000 2.016 447 Q HA -0.200 4.144 4.340 0.007 0.000 0.200 447 Q C 2.255 178.143 176.000 -0.186 0.000 0.978 447 Q CA 2.006 57.659 55.803 -0.250 0.000 0.833 447 Q CB -0.861 27.674 28.738 -0.339 0.000 0.895 447 Q HN 0.380 nan 8.270 nan 0.000 0.427 448 I N 0.932 121.429 120.570 -0.120 0.000 2.226 448 I HA -0.268 3.906 4.170 0.007 0.000 0.245 448 I C 2.508 178.520 176.117 -0.175 0.000 1.100 448 I CA 1.098 62.353 61.300 -0.075 0.000 1.374 448 I CB -0.452 37.592 38.000 0.072 0.000 1.057 448 I HN 0.188 nan 8.210 nan 0.000 0.413 449 A N 0.781 123.411 122.820 -0.316 0.000 1.902 449 A HA -0.151 4.173 4.320 0.007 0.000 0.217 449 A C 2.294 179.752 177.584 -0.211 0.000 1.181 449 A CA 1.364 53.206 52.037 -0.326 0.000 0.623 449 A CB -0.808 17.879 19.000 -0.522 0.000 0.818 449 A HN 0.380 nan 8.150 nan 0.000 0.443 450 L N -0.309 120.726 121.223 -0.314 0.000 2.093 450 L HA -0.183 4.161 4.340 0.007 0.000 0.208 450 L C 2.556 179.318 176.870 -0.179 0.000 1.085 450 L CA 1.345 56.020 54.840 -0.275 0.000 0.755 450 L CB -0.536 41.307 42.059 -0.359 0.000 0.904 450 L HN 0.458 nan 8.230 nan 0.000 0.435 451 N N 0.688 119.286 118.700 -0.170 0.000 2.142 451 N HA -0.157 4.587 4.740 0.007 0.000 0.186 451 N C 1.874 177.317 175.510 -0.112 0.000 1.023 451 N CA 1.414 54.378 53.050 -0.144 0.000 0.852 451 N CB -0.143 38.263 38.487 -0.136 0.000 0.998 451 N HN 0.244 nan 8.380 nan 0.000 0.424 452 L N 0.310 121.478 121.223 -0.091 0.000 2.131 452 L HA -0.129 4.215 4.340 0.007 0.000 0.210 452 L C 1.272 178.174 176.870 0.055 0.000 1.092 452 L CA 0.966 55.790 54.840 -0.026 0.000 0.759 452 L CB -0.369 41.657 42.059 -0.055 0.000 0.903 452 L HN 0.046 nan 8.230 nan 0.000 0.435 453 D N -0.564 119.861 120.400 0.042 0.000 2.371 453 D HA -0.085 4.559 4.640 0.007 0.000 0.221 453 D C 0.848 177.135 176.300 -0.022 0.000 0.986 453 D CA 0.655 54.668 54.000 0.022 0.000 0.899 453 D CB 0.014 40.797 40.800 -0.029 0.000 0.902 453 D HN 0.209 nan 8.370 nan 0.000 0.530 454 Q N 0.228 120.002 119.800 -0.043 0.000 3.027 454 Q HA 0.316 4.660 4.340 0.007 0.000 0.260 454 Q C 0.965 176.947 176.000 -0.031 0.000 1.379 454 Q CA -0.322 55.449 55.803 -0.054 0.000 1.038 454 Q CB 0.400 29.087 28.738 -0.085 0.000 1.578 454 Q HN 0.080 nan 8.270 nan 0.000 0.571 455 A N 1.928 124.742 122.820 -0.010 0.000 2.024 455 A HA -0.192 4.132 4.320 0.007 0.000 0.220 455 A C 1.748 179.341 177.584 0.015 0.000 1.164 455 A CA 1.513 53.558 52.037 0.013 0.000 0.643 455 A CB 0.011 19.019 19.000 0.013 0.000 0.806 455 A HN 0.497 nan 8.150 nan 0.000 0.451 456 E N 0.326 120.525 120.200 -0.001 0.000 2.435 456 E HA 0.042 4.396 4.350 0.007 0.000 0.195 456 E C 0.460 177.065 176.600 0.009 0.000 1.029 456 E CA -0.031 56.373 56.400 0.006 0.000 0.865 456 E CB -0.637 29.061 29.700 -0.002 0.000 0.833 456 E HN 0.573 nan 8.360 nan 0.000 0.510 457 L N 2.877 124.093 121.223 -0.011 0.000 2.439 457 L HA 0.235 4.579 4.340 0.007 0.000 0.269 457 L C -1.888 174.987 176.870 0.008 0.000 1.179 457 L CA -2.026 52.798 54.840 -0.027 0.000 0.828 457 L CB 0.066 42.079 42.059 -0.077 0.000 1.106 457 L HN -0.084 nan 8.230 nan 0.000 0.467 458 P HA -0.099 nan 4.420 nan 0.000 0.267 458 P C 0.435 177.765 177.300 0.049 0.000 1.200 458 P CA -0.053 63.087 63.100 0.068 0.000 0.772 458 P CB 0.462 32.174 31.700 0.020 0.000 0.855 459 F N 2.467 122.416 119.950 -0.002 0.000 2.126 459 F HA -0.191 4.340 4.527 0.007 0.000 0.299 459 F C 1.981 177.758 175.800 -0.039 0.000 1.096 459 F CA 1.620 59.604 58.000 -0.026 0.000 1.255 459 F CB -0.607 38.381 39.000 -0.021 0.000 0.997 459 F HN 0.121 nan 8.300 nan 0.000 0.479 460 L N -0.201 121.006 121.223 -0.026 0.000 2.191 460 L HA -0.187 4.157 4.340 0.007 0.000 0.212 460 L C 2.556 179.307 176.870 -0.198 0.000 1.103 460 L CA 1.086 55.861 54.840 -0.108 0.000 0.769 460 L CB -0.571 41.522 42.059 0.057 0.000 0.908 460 L HN 0.100 nan 8.230 nan 0.000 0.438 461 R N -0.159 120.228 120.500 -0.190 0.000 2.148 461 R HA -0.081 4.263 4.340 0.007 0.000 0.223 461 R C 2.270 178.438 176.300 -0.221 0.000 1.088 461 R CA 0.746 56.735 56.100 -0.185 0.000 0.985 461 R CB -0.080 30.116 30.300 -0.174 0.000 0.880 461 R HN 0.386 nan 8.270 nan 0.000 0.451 462 R N 0.626 120.947 120.500 -0.298 0.000 2.189 462 R HA -0.017 4.327 4.340 0.007 0.000 0.218 462 R C 1.829 177.936 176.300 -0.322 0.000 1.074 462 R CA 1.034 56.958 56.100 -0.294 0.000 0.991 462 R CB -0.012 30.119 30.300 -0.282 0.000 0.883 462 R HN 0.323 nan 8.270 nan 0.000 0.457 463 I N -3.474 116.839 120.570 -0.429 0.000 4.009 463 I HA 0.403 4.577 4.170 0.007 0.000 0.331 463 I C 0.143 176.183 176.117 -0.128 0.000 1.462 463 I CA -0.708 60.413 61.300 -0.298 0.000 1.117 463 I CB 0.661 38.323 38.000 -0.563 0.000 1.091 463 I HN -0.222 nan 8.210 nan 0.000 0.410 464 A N 4.001 126.735 122.820 -0.144 0.000 2.566 464 A HA 0.241 4.565 4.320 0.007 0.000 0.245 464 A C -2.041 175.472 177.584 -0.118 0.000 1.056 464 A CA -0.469 51.477 52.037 -0.151 0.000 0.757 464 A CB -0.588 18.348 19.000 -0.107 0.000 0.979 464 A HN 0.363 nan 8.150 nan 0.000 0.508 465 P HA 0.211 nan 4.420 nan 0.000 0.202 465 P C -1.203 175.911 177.300 -0.310 0.000 1.869 465 P CA -0.219 62.856 63.100 -0.042 0.000 1.017 465 P CB -0.256 31.540 31.700 0.160 0.000 1.848 466 Y N 1.513 121.702 120.300 -0.185 0.000 2.674 466 Y HA 0.051 4.605 4.550 0.007 0.000 0.354 466 Y C 2.112 177.982 175.900 -0.051 0.000 1.089 466 Y CA 0.257 58.226 58.100 -0.219 0.000 1.444 466 Y CB -0.321 38.031 38.460 -0.181 0.000 1.187 466 Y HN 0.261 nan 8.280 nan 0.000 0.523 467 N N 2.561 121.267 118.700 0.010 0.000 2.069 467 N HA -0.257 4.487 4.740 0.007 0.000 0.191 467 N C 1.885 177.424 175.510 0.048 0.000 1.031 467 N CA 1.373 54.445 53.050 0.037 0.000 0.852 467 N CB 0.215 38.665 38.487 -0.062 0.000 1.018 467 N HN 0.720 nan 8.380 nan 0.000 0.423 468 A N 0.025 122.878 122.820 0.056 0.000 1.898 468 A HA -0.158 4.166 4.320 0.007 0.000 0.216 468 A C 2.080 179.721 177.584 0.095 0.000 1.181 468 A CA 0.949 53.012 52.037 0.044 0.000 0.620 468 A CB -1.050 17.968 19.000 0.031 0.000 0.819 468 A HN 0.598 nan 8.150 nan 0.000 0.442 469 Y N 1.221 121.546 120.300 0.042 0.000 2.089 469 Y HA -0.218 4.337 4.550 0.007 0.000 0.282 469 Y C 2.714 178.710 175.900 0.160 0.000 1.139 469 Y CA 2.592 60.734 58.100 0.070 0.000 1.123 469 Y CB -0.605 37.862 38.460 0.012 0.000 0.980 469 Y HN 0.311 nan 8.280 nan 0.000 0.493 470 T N 0.594 115.362 114.554 0.357 0.000 2.708 470 T HA -0.164 4.190 4.350 0.007 0.000 0.266 470 T C 1.583 176.457 174.700 0.290 0.000 1.037 470 T CA 1.690 63.999 62.100 0.349 0.000 1.146 470 T CB -0.212 68.855 68.868 0.331 0.000 0.865 470 T HN 0.357 nan 8.240 nan 0.000 0.435 471 E N 0.797 121.088 120.200 0.152 0.000 2.072 471 E HA 0.022 4.376 4.350 0.007 0.000 0.190 471 E C 2.604 179.232 176.600 0.047 0.000 0.982 471 E CA 1.004 57.423 56.400 0.031 0.000 0.803 471 E CB -0.879 28.478 29.700 -0.571 0.000 0.755 471 E HN 0.560 nan 8.360 nan 0.000 0.453 472 G N 1.236 110.052 108.800 0.026 0.000 2.418 472 G HA2 -0.253 3.711 3.960 0.007 0.000 0.217 472 G HA3 -0.253 3.711 3.960 0.007 0.000 0.217 472 G C 1.368 176.273 174.900 0.009 0.000 1.158 472 G CA 0.618 45.742 45.100 0.041 0.000 0.771 472 G HN 0.330 nan 8.290 nan 0.000 0.545 473 W N 1.862 123.079 121.300 -0.139 0.000 2.318 473 W HA -0.155 4.509 4.660 0.007 0.000 0.313 473 W C 2.436 178.943 176.519 -0.021 0.000 1.221 473 W CA 2.262 59.525 57.345 -0.136 0.000 1.266 473 W CB -0.480 28.785 29.460 -0.325 0.000 1.150 473 W HN 0.314 nan 8.180 nan 0.000 0.496 474 A N 0.874 123.530 122.820 -0.273 0.000 1.930 474 A HA -0.168 4.156 4.320 0.007 0.000 0.217 474 A C 2.260 179.637 177.584 -0.345 0.000 1.175 474 A CA 1.512 53.235 52.037 -0.525 0.000 0.627 474 A CB -1.153 17.203 19.000 -1.075 0.000 0.815 474 A HN 0.405 nan 8.150 nan 0.000 0.443 475 L N -1.845 119.330 121.223 -0.079 0.000 2.056 475 L HA -0.162 4.182 4.340 0.007 0.000 0.207 475 L C 2.543 179.379 176.870 -0.058 0.000 1.078 475 L CA 1.883 56.761 54.840 0.064 0.000 0.749 475 L CB -0.464 41.697 42.059 0.169 0.000 0.901 475 L HN 0.634 nan 8.230 nan 0.000 0.433 476 Y N 0.741 120.889 120.300 -0.253 0.000 2.151 476 Y HA -0.354 4.201 4.550 0.008 0.000 0.284 476 Y C 2.938 178.603 175.900 -0.391 0.000 1.166 476 Y CA 1.960 59.877 58.100 -0.305 0.000 1.163 476 Y CB -0.454 37.774 38.460 -0.387 0.000 0.974 476 Y HN 0.337 nan 8.280 nan 0.000 0.511 477 S N -0.492 114.755 115.700 -0.754 0.000 2.419 477 S HA -0.206 4.268 4.470 0.007 0.000 0.233 477 S C 1.708 176.096 174.600 -0.353 0.000 1.016 477 S CA 1.389 59.183 58.200 -0.677 0.000 0.974 477 S CB -0.589 62.197 63.200 -0.690 0.000 0.786 477 S HN 0.713 nan 8.310 nan 0.000 0.492 478 E N 0.788 120.866 120.200 -0.203 0.000 2.150 478 E HA -0.166 4.188 4.350 0.007 0.000 0.193 478 E C 2.277 178.874 176.600 -0.006 0.000 0.985 478 E CA 1.152 57.551 56.400 -0.001 0.000 0.814 478 E CB -0.176 29.572 29.700 0.080 0.000 0.752 478 E HN 0.772 nan 8.360 nan 0.000 0.466 479 Q N 0.654 120.372 119.800 -0.137 0.000 2.137 479 Q HA -0.100 4.244 4.340 0.007 0.000 0.198 479 Q C 2.147 178.084 176.000 -0.105 0.000 0.960 479 Q CA 0.819 56.559 55.803 -0.105 0.000 0.847 479 Q CB 0.296 28.944 28.738 -0.149 0.000 0.915 479 Q HN 0.113 nan 8.270 nan 0.000 0.448 480 V N 1.173 120.902 119.914 -0.309 0.000 2.490 480 V HA -0.247 3.877 4.120 0.007 0.000 0.250 480 V C 2.339 178.380 176.094 -0.089 0.000 1.061 480 V CA 1.622 63.800 62.300 -0.203 0.000 1.064 480 V CB -0.896 30.778 31.823 -0.248 0.000 0.670 480 V HN 0.503 nan 8.190 nan 0.000 0.461 481 A N -0.704 122.036 122.820 -0.133 0.000 1.902 481 A HA -0.280 4.044 4.320 0.007 0.000 0.217 481 A C 2.149 179.709 177.584 -0.041 0.000 1.181 481 A CA 2.099 53.993 52.037 -0.237 0.000 0.623 481 A CB -0.767 17.938 19.000 -0.493 0.000 0.818 481 A HN 0.653 nan 8.150 nan 0.000 0.443 482 Y N 0.963 121.319 120.300 0.092 0.000 2.145 482 Y HA -0.202 4.353 4.550 0.008 0.000 0.286 482 Y C 2.145 178.079 175.900 0.057 0.000 1.145 482 Y CA 2.288 60.505 58.100 0.194 0.000 1.148 482 Y CB -0.247 38.282 38.460 0.115 0.000 0.981 482 Y HN 0.469 nan 8.280 nan 0.000 0.507 483 E N 0.052 120.288 120.200 0.059 0.000 2.338 483 E HA -0.137 4.217 4.350 0.007 0.000 0.197 483 E C 1.793 178.341 176.600 -0.087 0.000 1.007 483 E CA 0.942 57.332 56.400 -0.016 0.000 0.849 483 E CB -0.143 29.595 29.700 0.062 0.000 0.774 483 E HN 0.521 nan 8.360 nan 0.000 0.506 484 L N -0.529 120.636 121.223 -0.097 0.000 2.558 484 L HA 0.135 4.479 4.340 0.007 0.000 0.225 484 L C 1.219 178.002 176.870 -0.144 0.000 1.128 484 L CA 0.330 55.111 54.840 -0.098 0.000 0.868 484 L CB 0.245 42.248 42.059 -0.093 0.000 1.006 484 L HN 0.282 nan 8.230 nan 0.000 0.454 485 G N -0.867 107.808 108.800 -0.210 0.000 2.130 485 G HA2 -0.258 3.706 3.960 0.007 0.000 0.216 485 G HA3 -0.258 3.706 3.960 0.007 0.000 0.216 485 G C 0.712 175.495 174.900 -0.195 0.000 0.999 485 G CA 0.067 45.039 45.100 -0.213 0.000 0.686 485 G HN 0.057 nan 8.290 nan 0.000 0.515 486 M N -0.716 118.733 119.600 -0.252 0.000 2.557 486 M HA 0.208 4.692 4.480 0.007 0.000 0.259 486 M C 1.206 177.199 176.300 -0.513 0.000 1.086 486 M CA 0.666 55.739 55.300 -0.379 0.000 1.096 486 M CB -0.767 31.503 32.600 -0.551 0.000 1.424 486 M HN 0.443 nan 8.290 nan 0.000 0.488 487 Y N -0.347 119.933 120.300 -0.034 0.000 2.696 487 Y HA 0.295 4.848 4.550 0.005 0.000 0.260 487 Y C 0.633 176.529 175.900 -0.007 0.000 1.165 487 Y CA -1.020 57.097 58.100 0.030 0.000 1.189 487 Y CB -0.208 38.339 38.460 0.146 0.000 1.180 487 Y HN 0.218 nan 8.280 nan 0.000 0.538 488 E N 2.047 122.263 120.200 0.027 0.000 2.558 488 E HA -0.125 4.229 4.350 0.007 0.000 0.255 488 E C 0.078 176.712 176.600 0.056 0.000 0.968 488 E CA 0.323 56.731 56.400 0.014 0.000 0.939 488 E CB 0.127 29.814 29.700 -0.022 0.000 0.921 488 E HN 0.390 nan 8.360 nan 0.000 0.477 489 N N 3.536 122.273 118.700 0.062 0.000 2.708 489 N HA -0.227 4.517 4.740 0.007 0.000 0.249 489 N C -1.162 174.414 175.510 0.110 0.000 1.097 489 N CA 1.473 54.566 53.050 0.072 0.000 0.710 489 N CB -0.821 37.703 38.487 0.061 0.000 1.032 489 N HN 0.554 nan 8.380 nan 0.000 0.551 490 D N -1.027 119.456 120.400 0.138 0.000 2.656 490 D HA 0.230 4.874 4.640 0.007 0.000 0.303 490 D C -1.525 174.869 176.300 0.156 0.000 1.199 490 D CA -1.490 52.628 54.000 0.197 0.000 0.797 490 D CB 0.867 41.819 40.800 0.254 0.000 1.170 490 D HN 0.009 nan 8.370 nan 0.000 0.509 491 P HA -0.115 nan 4.420 nan 0.000 0.216 491 P C 1.419 178.527 177.300 -0.319 0.000 1.150 491 P CA 0.774 63.746 63.100 -0.214 0.000 0.837 491 P CB 0.106 31.563 31.700 -0.404 0.000 0.786 492 F N 0.576 120.542 119.950 0.027 0.000 2.206 492 F HA 0.077 4.608 4.527 0.006 0.000 0.298 492 F C 2.762 178.532 175.800 -0.049 0.000 1.090 492 F CA 1.525 59.475 58.000 -0.084 0.000 1.323 492 F CB -1.707 37.294 39.000 0.001 0.000 1.028 492 F HN -0.049 nan 8.300 nan 0.000 0.492 493 G N -0.611 108.349 108.800 0.266 0.000 2.422 493 G HA2 -0.311 3.653 3.960 0.007 0.000 0.218 493 G HA3 -0.311 3.653 3.960 0.007 0.000 0.218 493 G C 1.323 176.211 174.900 -0.020 0.000 1.146 493 G CA 1.252 46.527 45.100 0.293 0.000 0.769 493 G HN 0.325 nan 8.290 nan 0.000 0.547 494 D N 0.348 120.636 120.400 -0.186 0.000 2.117 494 D HA -0.050 4.594 4.640 0.007 0.000 0.198 494 D C 2.568 178.645 176.300 -0.371 0.000 0.982 494 D CA 0.524 54.206 54.000 -0.529 0.000 0.828 494 D CB -0.265 40.375 40.800 -0.266 0.000 0.967 494 D HN 0.305 nan 8.370 nan 0.000 0.464 495 L N -0.164 120.901 121.223 -0.264 0.000 2.079 495 L HA -0.049 4.295 4.340 0.007 0.000 0.210 495 L C 2.580 179.339 176.870 -0.185 0.000 1.081 495 L CA 1.281 55.972 54.840 -0.249 0.000 0.752 495 L CB -0.766 41.113 42.059 -0.301 0.000 0.896 495 L HN 0.173 nan 8.230 nan 0.000 0.433 496 G N -0.160 108.583 108.800 -0.095 0.000 2.476 496 G HA2 -0.331 3.633 3.960 0.007 0.000 0.218 496 G HA3 -0.331 3.633 3.960 0.007 0.000 0.218 496 G C 1.708 176.586 174.900 -0.037 0.000 1.164 496 G CA 0.949 46.077 45.100 0.047 0.000 0.768 496 G HN 0.304 nan 8.290 nan 0.000 0.560 497 R N -0.005 120.407 120.500 -0.146 0.000 2.083 497 R HA 0.017 4.361 4.340 0.007 0.000 0.237 497 R C 2.578 178.799 176.300 -0.131 0.000 1.137 497 R CA 1.367 57.371 56.100 -0.160 0.000 0.951 497 R CB -0.409 29.672 30.300 -0.365 0.000 0.851 497 R HN 0.409 nan 8.270 nan 0.000 0.434 498 L N 0.664 121.780 121.223 -0.179 0.000 2.093 498 L HA -0.164 4.180 4.340 0.007 0.000 0.208 498 L C 2.905 179.734 176.870 -0.069 0.000 1.085 498 L CA 1.508 56.263 54.840 -0.141 0.000 0.755 498 L CB -0.496 41.455 42.059 -0.181 0.000 0.904 498 L HN 0.421 nan 8.230 nan 0.000 0.435 499 Q N 0.431 120.195 119.800 -0.059 0.000 2.084 499 Q HA -0.232 4.112 4.340 0.007 0.000 0.202 499 Q C 2.216 178.242 176.000 0.044 0.000 0.978 499 Q CA 1.865 57.665 55.803 -0.005 0.000 0.844 499 Q CB -0.095 28.639 28.738 -0.006 0.000 0.898 499 Q HN 0.475 nan 8.270 nan 0.000 0.426 500 A N 0.772 123.601 122.820 0.016 0.000 1.930 500 A HA -0.194 4.130 4.320 0.007 0.000 0.217 500 A C 1.936 179.577 177.584 0.096 0.000 1.175 500 A CA 1.406 53.464 52.037 0.035 0.000 0.627 500 A CB -0.587 18.404 19.000 -0.014 0.000 0.815 500 A HN 0.624 nan 8.150 nan 0.000 0.443 501 E N -0.496 119.736 120.200 0.054 0.000 2.072 501 E HA -0.189 4.165 4.350 0.007 0.000 0.191 501 E C 1.927 178.572 176.600 0.075 0.000 0.985 501 E CA 1.275 57.711 56.400 0.060 0.000 0.801 501 E CB -0.173 29.531 29.700 0.007 0.000 0.750 501 E HN 0.462 nan 8.360 nan 0.000 0.452 502 L N 0.490 121.752 121.223 0.065 0.000 2.042 502 L HA -0.172 4.172 4.340 0.007 0.000 0.210 502 L C 2.104 179.040 176.870 0.109 0.000 1.076 502 L CA 1.690 56.570 54.840 0.067 0.000 0.749 502 L CB -0.707 41.380 42.059 0.047 0.000 0.893 502 L HN 0.191 nan 8.230 nan 0.000 0.432 503 F N 0.158 120.112 119.950 0.007 0.000 2.134 503 F HA -0.208 4.323 4.527 0.007 0.000 0.299 503 F C 2.398 178.208 175.800 0.016 0.000 1.097 503 F CA 1.478 59.491 58.000 0.021 0.000 1.264 503 F CB -0.151 38.854 39.000 0.008 0.000 1.001 503 F HN 0.018 nan 8.300 nan 0.000 0.479 504 R N 0.272 120.848 120.500 0.127 0.000 2.148 504 R HA 0.015 4.359 4.340 0.007 0.000 0.227 504 R C 2.339 178.638 176.300 -0.002 0.000 1.103 504 R CA 1.047 57.163 56.100 0.028 0.000 0.983 504 R CB -1.042 29.335 30.300 0.128 0.000 0.874 504 R HN 0.362 nan 8.270 nan 0.000 0.451 505 A N 0.042 122.870 122.820 0.014 0.000 1.898 505 A HA -0.092 4.232 4.320 0.007 0.000 0.216 505 A C 2.203 179.773 177.584 -0.023 0.000 1.181 505 A CA 1.419 53.458 52.037 0.004 0.000 0.620 505 A CB -0.612 18.400 19.000 0.020 0.000 0.819 505 A HN 0.102 nan 8.150 nan 0.000 0.442 506 V N 0.114 120.010 119.914 -0.030 0.000 2.392 506 V HA -0.304 3.820 4.120 0.007 0.000 0.249 506 V C 2.607 178.641 176.094 -0.101 0.000 1.059 506 V CA 2.279 64.586 62.300 0.012 0.000 1.051 506 V CB -0.867 30.951 31.823 -0.007 0.000 0.658 506 V HN 0.524 nan 8.190 nan 0.000 0.455 507 R N -0.472 119.884 120.500 -0.240 0.000 2.103 507 R HA -0.161 4.183 4.340 0.007 0.000 0.242 507 R C 2.287 178.462 176.300 -0.208 0.000 1.142 507 R CA 1.594 57.498 56.100 -0.327 0.000 0.960 507 R CB -0.444 29.648 30.300 -0.348 0.000 0.858 507 R HN 0.446 nan 8.270 nan 0.000 0.439 508 L N 0.002 121.157 121.223 -0.113 0.000 2.012 508 L HA -0.204 4.140 4.340 0.007 0.000 0.210 508 L C 2.413 179.202 176.870 -0.136 0.000 1.073 508 L CA 1.214 56.007 54.840 -0.078 0.000 0.748 508 L CB -0.609 41.419 42.059 -0.052 0.000 0.891 508 L HN 0.065 nan 8.230 nan 0.000 0.431 509 V N -0.016 119.768 119.914 -0.217 0.000 2.261 509 V HA -0.237 3.887 4.120 0.007 0.000 0.246 509 V C 2.473 178.343 176.094 -0.373 0.000 1.047 509 V CA 1.942 63.986 62.300 -0.426 0.000 1.015 509 V CB -0.567 30.951 31.823 -0.509 0.000 0.642 509 V HN 0.461 nan 8.190 nan 0.000 0.446 510 V N -1.233 118.563 119.914 -0.196 0.000 2.591 510 V HA -0.148 3.976 4.120 0.007 0.000 0.249 510 V C 2.026 178.069 176.094 -0.086 0.000 1.053 510 V CA 2.262 64.516 62.300 -0.078 0.000 1.068 510 V CB -0.759 31.177 31.823 0.189 0.000 0.689 510 V HN 0.562 nan 8.190 nan 0.000 0.462 511 D N 1.791 122.137 120.400 -0.091 0.000 2.097 511 D HA -0.192 4.452 4.640 0.007 0.000 0.197 511 D C 2.302 178.659 176.300 0.094 0.000 0.984 511 D CA 2.192 56.222 54.000 0.049 0.000 0.826 511 D CB -0.153 40.688 40.800 0.069 0.000 0.973 511 D HN 0.668 nan 8.370 nan 0.000 0.460 512 T N -2.589 112.003 114.554 0.064 0.000 2.821 512 T HA -0.017 4.337 4.350 0.007 0.000 0.267 512 T C 2.139 176.682 174.700 -0.263 0.000 1.046 512 T CA 1.114 63.254 62.100 0.067 0.000 1.139 512 T CB -1.087 67.853 68.868 0.119 0.000 0.871 512 T HN 0.146 nan 8.240 nan 0.000 0.454 513 G N 2.105 110.602 108.800 -0.506 0.000 2.514 513 G HA2 -0.125 3.839 3.960 0.007 0.000 0.217 513 G HA3 -0.125 3.839 3.960 0.007 0.000 0.217 513 G C 1.508 176.047 174.900 -0.602 0.000 1.198 513 G CA 1.024 45.423 45.100 -1.169 0.000 0.780 513 G HN 0.515 nan 8.290 nan 0.000 0.565 514 L N -0.560 120.486 121.223 -0.296 0.000 1.989 514 L HA -0.116 4.228 4.340 0.007 0.000 0.211 514 L C 2.748 179.496 176.870 -0.204 0.000 1.071 514 L CA 1.406 56.117 54.840 -0.216 0.000 0.749 514 L CB -0.420 41.365 42.059 -0.457 0.000 0.890 514 L HN 0.256 nan 8.230 nan 0.000 0.431 515 H N -2.312 116.661 119.070 -0.162 0.000 2.547 515 H HA 0.007 4.567 4.556 0.007 0.000 0.272 515 H C 1.296 176.470 175.328 -0.256 0.000 0.971 515 H CA 1.326 57.182 56.048 -0.320 0.000 1.245 515 H CB 0.535 29.674 29.762 -1.038 0.000 1.440 515 H HN 0.430 nan 8.280 nan 0.000 0.540 516 D N -0.409 119.898 120.400 -0.154 0.000 2.932 516 D HA -0.022 4.622 4.640 0.007 0.000 0.294 516 D C 1.646 177.792 176.300 -0.256 0.000 1.119 516 D CA 0.051 53.991 54.000 -0.100 0.000 0.980 516 D CB 0.483 41.304 40.800 0.035 0.000 1.361 516 D HN -0.184 nan 8.370 nan 0.000 0.466 517 K N 0.954 121.128 120.400 -0.376 0.000 2.439 517 K HA 0.077 4.401 4.320 0.007 0.000 0.197 517 K C 0.224 176.648 176.600 -0.293 0.000 1.041 517 K CA 0.299 56.341 56.287 -0.407 0.000 0.970 517 K CB -0.143 31.939 32.500 -0.696 0.000 0.773 517 K HN 0.288 nan 8.250 nan 0.000 0.479 518 R N -0.689 119.600 120.500 -0.352 0.000 3.656 518 R HA -0.138 4.206 4.340 0.007 0.000 0.297 518 R C -0.840 175.536 176.300 0.125 0.000 1.166 518 R CA 0.364 56.264 56.100 -0.334 0.000 0.799 518 R CB -2.300 27.455 30.300 -0.907 0.000 1.285 518 R HN 0.110 nan 8.270 nan 0.000 0.477 519 W N 1.904 123.155 121.300 -0.080 0.000 2.231 519 W HA 0.046 4.710 4.660 0.006 0.000 0.341 519 W C 1.618 178.158 176.519 0.034 0.000 1.298 519 W CA 0.285 57.614 57.345 -0.027 0.000 1.266 519 W CB -0.116 29.325 29.460 -0.031 0.000 1.172 519 W HN 0.120 nan 8.180 nan 0.000 0.568 520 T N -0.144 114.545 114.554 0.224 0.000 2.813 520 T HA 0.136 4.490 4.350 0.007 0.000 0.297 520 T C 1.466 176.249 174.700 0.139 0.000 1.036 520 T CA -0.415 61.774 62.100 0.149 0.000 1.044 520 T CB 0.971 69.884 68.868 0.075 0.000 0.993 520 T HN 0.565 nan 8.240 nan 0.000 0.535 521 R N 0.641 121.194 120.500 0.088 0.000 2.113 521 R HA -0.216 4.128 4.340 0.007 0.000 0.244 521 R C 1.932 178.270 176.300 0.064 0.000 1.142 521 R CA 2.343 58.482 56.100 0.065 0.000 0.953 521 R CB -0.462 29.853 30.300 0.024 0.000 0.860 521 R HN 0.813 nan 8.270 nan 0.000 0.438 522 E N 0.342 120.566 120.200 0.041 0.000 2.106 522 E HA -0.149 4.205 4.350 0.007 0.000 0.192 522 E C 2.119 178.725 176.600 0.011 0.000 0.984 522 E CA 1.318 57.731 56.400 0.021 0.000 0.806 522 E CB -0.038 29.664 29.700 0.003 0.000 0.750 522 E HN 0.497 nan 8.360 nan 0.000 0.458 523 Q N -0.067 119.727 119.800 -0.010 0.000 2.079 523 Q HA -0.072 4.272 4.340 0.007 0.000 0.200 523 Q C 2.198 178.202 176.000 0.007 0.000 0.974 523 Q CA 1.374 57.109 55.803 -0.112 0.000 0.840 523 Q CB -0.186 28.362 28.738 -0.316 0.000 0.898 523 Q HN 0.316 nan 8.270 nan 0.000 0.430 524 A N 0.811 123.757 122.820 0.210 0.000 1.898 524 A HA -0.162 4.162 4.320 0.007 0.000 0.216 524 A C 2.024 179.761 177.584 0.255 0.000 1.181 524 A CA 1.024 53.276 52.037 0.358 0.000 0.620 524 A CB -0.583 18.618 19.000 0.335 0.000 0.819 524 A HN 0.290 nan 8.150 nan 0.000 0.442 525 I N -0.631 120.029 120.570 0.150 0.000 2.127 525 I HA -0.257 3.917 4.170 0.007 0.000 0.241 525 I C 2.874 179.049 176.117 0.097 0.000 1.075 525 I CA 1.660 63.025 61.300 0.107 0.000 1.334 525 I CB -0.300 37.735 38.000 0.059 0.000 1.040 525 I HN 0.424 nan 8.210 nan 0.000 0.405 526 S N -0.111 115.630 115.700 0.068 0.000 2.370 526 S HA -0.285 4.189 4.470 0.007 0.000 0.226 526 S C 2.169 176.804 174.600 0.058 0.000 1.033 526 S CA 1.511 59.733 58.200 0.037 0.000 1.011 526 S CB -0.477 62.719 63.200 -0.006 0.000 0.852 526 S HN 0.486 nan 8.310 nan 0.000 0.457 527 Y N 1.338 121.641 120.300 0.006 0.000 2.133 527 Y HA -0.058 4.496 4.550 0.007 0.000 0.287 527 Y C 2.489 178.433 175.900 0.073 0.000 1.134 527 Y CA 2.295 60.422 58.100 0.045 0.000 1.133 527 Y CB -0.492 38.056 38.460 0.147 0.000 0.987 527 Y HN 0.367 nan 8.280 nan 0.000 0.502 528 M N -1.020 118.701 119.600 0.202 0.000 2.159 528 M HA -0.212 4.272 4.480 0.007 0.000 0.263 528 M C 2.122 178.442 176.300 0.033 0.000 1.063 528 M CA 2.198 57.566 55.300 0.113 0.000 1.110 528 M CB -0.193 32.512 32.600 0.175 0.000 1.374 528 M HN 0.194 nan 8.290 nan 0.000 0.411 529 S N 0.192 115.915 115.700 0.038 0.000 2.402 529 S HA -0.164 4.310 4.470 0.007 0.000 0.229 529 S C 1.651 176.235 174.600 -0.027 0.000 1.021 529 S CA 1.631 59.845 58.200 0.023 0.000 0.974 529 S CB -0.267 62.949 63.200 0.026 0.000 0.800 529 S HN 0.568 nan 8.310 nan 0.000 0.484 530 E N 1.182 121.331 120.200 -0.085 0.000 2.112 530 E HA -0.041 4.313 4.350 0.007 0.000 0.190 530 E C 1.846 178.351 176.600 -0.159 0.000 0.979 530 E CA 0.997 57.325 56.400 -0.119 0.000 0.814 530 E CB -0.048 29.561 29.700 -0.152 0.000 0.762 530 E HN 0.248 nan 8.360 nan 0.000 0.460 531 Q N -0.136 119.512 119.800 -0.252 0.000 2.392 531 Q HA 0.121 4.465 4.340 0.007 0.000 0.203 531 Q C 0.310 176.253 176.000 -0.096 0.000 0.917 531 Q CA 0.954 56.609 55.803 -0.247 0.000 0.939 531 Q CB 0.926 29.386 28.738 -0.464 0.000 1.063 531 Q HN 0.379 nan 8.270 nan 0.000 0.516 532 T N -4.907 109.629 114.554 -0.029 0.000 2.887 532 T HA 0.591 4.945 4.350 0.007 0.000 0.292 532 T C 0.693 175.424 174.700 0.051 0.000 1.087 532 T CA -0.465 61.668 62.100 0.055 0.000 1.009 532 T CB 1.671 70.650 68.868 0.185 0.000 1.203 532 T HN -0.018 nan 8.240 nan 0.000 0.518 533 G N 0.737 109.574 108.800 0.061 0.000 3.327 533 G HA2 0.328 4.293 3.960 0.007 0.000 0.240 533 G HA3 0.328 4.293 3.960 0.007 0.000 0.240 533 G C 0.319 175.259 174.900 0.066 0.000 1.222 533 G CA -0.385 44.747 45.100 0.053 0.000 0.871 533 G HN 0.838 nan 8.290 nan 0.000 0.525 534 T N 1.785 116.397 114.554 0.097 0.000 2.888 534 T HA 0.447 4.801 4.350 0.007 0.000 0.301 534 T C 0.880 175.621 174.700 0.069 0.000 1.001 534 T CA -0.014 62.141 62.100 0.092 0.000 1.147 534 T CB 1.390 70.375 68.868 0.195 0.000 0.931 534 T HN 0.389 nan 8.240 nan 0.000 0.541 535 A N 2.430 125.276 122.820 0.044 0.000 2.483 535 A HA 0.142 4.466 4.320 0.007 0.000 0.238 535 A C 1.512 179.119 177.584 0.038 0.000 1.070 535 A CA -0.373 51.684 52.037 0.034 0.000 0.770 535 A CB -0.043 18.969 19.000 0.020 0.000 1.008 535 A HN 1.046 nan 8.150 nan 0.000 0.497 536 E N 1.301 121.519 120.200 0.030 0.000 2.118 536 E HA -0.211 4.143 4.350 0.007 0.000 0.195 536 E C 2.047 178.659 176.600 0.021 0.000 0.992 536 E CA 1.819 58.235 56.400 0.028 0.000 0.804 536 E CB -0.059 29.653 29.700 0.019 0.000 0.741 536 E HN 0.901 nan 8.360 nan 0.000 0.458 537 S N 0.361 116.069 115.700 0.012 0.000 2.383 537 S HA -0.157 4.317 4.470 0.007 0.000 0.227 537 S C 1.542 176.143 174.600 0.001 0.000 1.026 537 S CA 1.242 59.444 58.200 0.003 0.000 0.981 537 S CB -0.172 63.027 63.200 -0.003 0.000 0.818 537 S HN 0.231 nan 8.310 nan 0.000 0.472 538 D N 1.579 121.986 120.400 0.011 0.000 2.144 538 D HA -0.012 4.632 4.640 0.007 0.000 0.200 538 D C 2.144 178.472 176.300 0.047 0.000 0.978 538 D CA 0.968 54.979 54.000 0.018 0.000 0.833 538 D CB -0.457 40.353 40.800 0.016 0.000 0.961 538 D HN 0.345 nan 8.370 nan 0.000 0.470 539 V N 0.880 120.835 119.914 0.068 0.000 2.343 539 V HA -0.203 3.921 4.120 0.007 0.000 0.247 539 V C 2.696 178.803 176.094 0.021 0.000 1.051 539 V CA 0.959 63.312 62.300 0.088 0.000 1.036 539 V CB -0.442 31.438 31.823 0.095 0.000 0.654 539 V HN 0.048 nan 8.190 nan 0.000 0.451 540 V N 0.384 120.299 119.914 0.002 0.000 2.287 540 V HA -0.293 3.831 4.120 0.007 0.000 0.248 540 V C 2.732 178.783 176.094 -0.071 0.000 1.053 540 V CA 2.204 64.487 62.300 -0.027 0.000 1.027 540 V CB -1.163 30.648 31.823 -0.019 0.000 0.646 540 V HN 0.569 nan 8.190 nan 0.000 0.447 541 A N -0.674 122.104 122.820 -0.068 0.000 1.902 541 A HA -0.206 4.118 4.320 0.007 0.000 0.217 541 A C 2.214 179.685 177.584 -0.188 0.000 1.181 541 A CA 1.711 53.684 52.037 -0.105 0.000 0.623 541 A CB -0.395 18.561 19.000 -0.072 0.000 0.818 541 A HN 0.556 nan 8.150 nan 0.000 0.443 542 E N -0.117 119.972 120.200 -0.186 0.000 2.047 542 E HA -0.131 4.223 4.350 0.007 0.000 0.191 542 E C 2.079 178.136 176.600 -0.905 0.000 0.987 542 E CA 0.938 57.084 56.400 -0.425 0.000 0.799 542 E CB -0.384 29.244 29.700 -0.119 0.000 0.752 542 E HN 0.528 nan 8.360 nan 0.000 0.449 543 I N 1.658 121.949 120.570 -0.464 0.000 2.208 543 I HA -0.227 3.947 4.170 0.007 0.000 0.245 543 I C 2.136 178.111 176.117 -0.237 0.000 1.097 543 I CA 1.316 62.438 61.300 -0.296 0.000 1.363 543 I CB -1.140 36.838 38.000 -0.036 0.000 1.051 543 I HN 0.159 nan 8.210 nan 0.000 0.413 544 E N 0.141 120.220 120.200 -0.201 0.000 2.150 544 E HA -0.218 4.136 4.350 0.007 0.000 0.193 544 E C 2.266 178.755 176.600 -0.186 0.000 0.985 544 E CA 0.626 56.940 56.400 -0.144 0.000 0.814 544 E CB -0.160 29.468 29.700 -0.122 0.000 0.752 544 E HN 0.417 nan 8.360 nan 0.000 0.466 545 R N 0.541 120.851 120.500 -0.317 0.000 2.073 545 R HA -0.191 4.153 4.340 0.007 0.000 0.234 545 R C 1.874 178.121 176.300 -0.089 0.000 1.134 545 R CA 1.523 57.389 56.100 -0.390 0.000 0.952 545 R CB -0.268 29.768 30.300 -0.439 0.000 0.850 545 R HN 0.156 nan 8.270 nan 0.000 0.433 546 Y N 0.802 121.158 120.300 0.094 0.000 2.224 546 Y HA -0.142 4.412 4.550 0.007 0.000 0.289 546 Y C 2.373 178.491 175.900 0.365 0.000 1.146 546 Y CA 1.064 59.319 58.100 0.259 0.000 1.182 546 Y CB -0.771 37.814 38.460 0.208 0.000 0.983 546 Y HN 0.077 nan 8.280 nan 0.000 0.524 547 M N -0.555 119.232 119.600 0.311 0.000 2.149 547 M HA -0.194 4.290 4.480 0.007 0.000 0.261 547 M C 2.339 178.876 176.300 0.394 0.000 1.064 547 M CA 1.884 57.364 55.300 0.299 0.000 1.102 547 M CB -0.407 32.249 32.600 0.095 0.000 1.369 547 M HN 0.268 nan 8.290 nan 0.000 0.408 548 A N -1.337 121.656 122.820 0.287 0.000 2.021 548 A HA -0.063 4.261 4.320 0.007 0.000 0.216 548 A C 0.552 178.467 177.584 0.553 0.000 1.163 548 A CA 0.576 52.847 52.037 0.389 0.000 0.676 548 A CB -0.101 18.958 19.000 0.098 0.000 0.818 548 A HN 0.618 nan 8.150 nan 0.000 0.453 549 W N 0.545 122.037 121.300 0.319 0.000 1.817 549 W HA 0.370 5.034 4.660 0.006 0.000 0.289 549 W C -2.990 173.664 176.519 0.225 0.000 0.841 549 W CA -3.537 53.962 57.345 0.255 0.000 2.216 549 W CB -0.627 29.032 29.460 0.331 0.000 2.396 549 W HN 0.087 nan 8.180 nan 0.000 0.421 550 P HA 0.116 nan 4.420 nan 0.000 0.261 550 P C 1.181 178.614 177.300 0.222 0.000 1.183 550 P CA 1.851 64.962 63.100 0.018 0.000 0.761 550 P CB 0.751 32.231 31.700 -0.367 0.000 0.785 551 G N 2.540 111.544 108.800 0.340 0.000 2.284 551 G HA2 -0.334 3.630 3.960 0.007 0.000 0.247 551 G HA3 -0.334 3.630 3.960 0.007 0.000 0.247 551 G C 1.228 176.225 174.900 0.162 0.000 1.012 551 G CA 0.346 45.567 45.100 0.202 0.000 0.618 551 G HN 0.550 nan 8.290 nan 0.000 0.521 552 Q N 0.957 120.894 119.800 0.229 0.000 2.124 552 Q HA 0.070 4.414 4.340 0.007 0.000 0.202 552 Q C 2.798 179.026 176.000 0.380 0.000 0.977 552 Q CA 2.315 58.260 55.803 0.237 0.000 0.850 552 Q CB -0.549 28.365 28.738 0.292 0.000 0.901 552 Q HN 1.118 nan 8.270 nan 0.000 0.429 553 A N 0.514 123.561 122.820 0.379 0.000 2.125 553 A HA -0.086 4.238 4.320 0.007 0.000 0.219 553 A C 2.065 179.821 177.584 0.286 0.000 1.156 553 A CA 0.745 52.958 52.037 0.292 0.000 0.671 553 A CB -0.437 18.395 19.000 -0.280 0.000 0.794 553 A HN 0.418 nan 8.150 nan 0.000 0.459 554 L N -1.263 120.080 121.223 0.201 0.000 2.313 554 L HA 0.008 4.352 4.340 0.007 0.000 0.214 554 L C 2.680 179.642 176.870 0.153 0.000 1.119 554 L CA 0.639 55.562 54.840 0.139 0.000 0.809 554 L CB -0.661 41.438 42.059 0.067 0.000 0.933 554 L HN 0.444 nan 8.230 nan 0.000 0.449 555 G N -0.270 108.609 108.800 0.133 0.000 2.450 555 G HA2 -0.279 3.685 3.960 0.007 0.000 0.220 555 G HA3 -0.279 3.685 3.960 0.007 0.000 0.220 555 G C 1.233 176.145 174.900 0.019 0.000 1.130 555 G CA 0.636 45.746 45.100 0.017 0.000 0.760 555 G HN 0.263 nan 8.290 nan 0.000 0.557 556 Y N 0.760 121.147 120.300 0.144 0.000 2.014 556 Y HA -0.108 4.446 4.550 0.006 0.000 0.270 556 Y C 2.957 178.922 175.900 0.109 0.000 1.145 556 Y CA 1.696 59.890 58.100 0.157 0.000 1.106 556 Y CB -0.170 38.404 38.460 0.190 0.000 0.968 556 Y HN -0.046 nan 8.280 nan 0.000 0.484 557 K N 0.303 120.856 120.400 0.255 0.000 2.103 557 K HA -0.055 4.269 4.320 0.007 0.000 0.204 557 K C 2.060 178.719 176.600 0.098 0.000 1.052 557 K CA 0.895 57.271 56.287 0.148 0.000 0.945 557 K CB -0.620 31.943 32.500 0.105 0.000 0.722 557 K HN 0.357 nan 8.250 nan 0.000 0.443 558 L N -0.194 121.079 121.223 0.082 0.000 2.079 558 L HA -0.146 4.198 4.340 0.007 0.000 0.210 558 L C 2.447 179.344 176.870 0.045 0.000 1.081 558 L CA 1.519 56.388 54.840 0.049 0.000 0.752 558 L CB -0.801 41.276 42.059 0.030 0.000 0.896 558 L HN 0.260 nan 8.230 nan 0.000 0.433 559 G N -0.704 108.127 108.800 0.050 0.000 2.394 559 G HA2 -0.242 3.722 3.960 0.007 0.000 0.215 559 G HA3 -0.242 3.722 3.960 0.007 0.000 0.215 559 G C 1.638 176.562 174.900 0.040 0.000 1.165 559 G CA 0.488 45.610 45.100 0.037 0.000 0.784 559 G HN 0.187 nan 8.290 nan 0.000 0.535 560 M N 0.049 119.690 119.600 0.068 0.000 2.086 560 M HA 0.039 4.523 4.480 0.007 0.000 0.261 560 M C 2.508 178.858 176.300 0.084 0.000 1.067 560 M CA 1.272 56.626 55.300 0.090 0.000 1.116 560 M CB -0.223 32.447 32.600 0.117 0.000 1.348 560 M HN 0.205 nan 8.290 nan 0.000 0.407 561 L N 0.246 121.510 121.223 0.069 0.000 2.042 561 L HA -0.249 4.095 4.340 0.007 0.000 0.210 561 L C 2.538 179.436 176.870 0.047 0.000 1.076 561 L CA 1.327 56.200 54.840 0.055 0.000 0.749 561 L CB -0.729 41.355 42.059 0.042 0.000 0.893 561 L HN 0.280 nan 8.230 nan 0.000 0.432 562 K N 0.879 121.304 120.400 0.041 0.000 2.062 562 K HA -0.094 4.230 4.320 0.007 0.000 0.205 562 K C 1.842 178.474 176.600 0.053 0.000 1.051 562 K CA 1.396 57.707 56.287 0.040 0.000 0.941 562 K CB -0.297 32.222 32.500 0.032 0.000 0.719 562 K HN 0.164 nan 8.250 nan 0.000 0.440 563 I N 0.484 121.074 120.570 0.032 0.000 2.208 563 I HA -0.294 3.880 4.170 0.007 0.000 0.245 563 I C 2.113 178.268 176.117 0.064 0.000 1.097 563 I CA 1.176 62.486 61.300 0.016 0.000 1.363 563 I CB -0.241 37.652 38.000 -0.178 0.000 1.051 563 I HN 0.110 nan 8.210 nan 0.000 0.413 564 L N -0.382 120.879 121.223 0.062 0.000 2.093 564 L HA -0.208 4.136 4.340 0.007 0.000 0.208 564 L C 2.739 179.629 176.870 0.034 0.000 1.085 564 L CA 1.313 56.203 54.840 0.082 0.000 0.755 564 L CB -0.489 41.637 42.059 0.112 0.000 0.904 564 L HN 0.255 nan 8.230 nan 0.000 0.435 565 S N 0.083 115.808 115.700 0.042 0.000 2.368 565 S HA -0.137 4.337 4.470 0.007 0.000 0.225 565 S C 2.000 176.626 174.600 0.044 0.000 1.030 565 S CA 1.099 59.316 58.200 0.029 0.000 0.999 565 S CB -0.168 63.052 63.200 0.033 0.000 0.844 565 S HN 0.294 nan 8.310 nan 0.000 0.459 566 L N 0.840 122.124 121.223 0.101 0.000 2.046 566 L HA -0.048 4.296 4.340 0.007 0.000 0.208 566 L C 2.893 179.858 176.870 0.159 0.000 1.077 566 L CA 1.557 56.506 54.840 0.181 0.000 0.747 566 L CB -0.471 41.756 42.059 0.280 0.000 0.896 566 L HN 0.303 nan 8.230 nan 0.000 0.432 567 R N -0.112 120.385 120.500 -0.004 0.000 2.096 567 R HA -0.157 4.187 4.340 0.007 0.000 0.235 567 R C 2.244 178.344 176.300 -0.332 0.000 1.127 567 R CA 1.183 57.004 56.100 -0.464 0.000 0.968 567 R CB 0.061 29.989 30.300 -0.620 0.000 0.861 567 R HN 0.274 nan 8.270 nan 0.000 0.440 568 E N 0.503 120.590 120.200 -0.188 0.000 2.107 568 E HA -0.183 4.171 4.350 0.007 0.000 0.191 568 E C 1.988 178.512 176.600 -0.126 0.000 0.982 568 E CA 1.059 57.352 56.400 -0.178 0.000 0.809 568 E CB -0.059 29.578 29.700 -0.104 0.000 0.756 568 E HN 0.484 nan 8.360 nan 0.000 0.459 569 Q N 0.279 120.049 119.800 -0.050 0.000 2.061 569 Q HA -0.138 4.206 4.340 0.007 0.000 0.204 569 Q C 2.174 178.171 176.000 -0.004 0.000 0.984 569 Q CA 1.623 57.420 55.803 -0.011 0.000 0.846 569 Q CB -0.199 28.564 28.738 0.041 0.000 0.902 569 Q HN 0.229 nan 8.270 nan 0.000 0.421 570 A N 1.355 124.203 122.820 0.047 0.000 1.883 570 A HA -0.245 4.079 4.320 0.007 0.000 0.217 570 A C 1.928 179.524 177.584 0.021 0.000 1.186 570 A CA 1.715 53.836 52.037 0.141 0.000 0.624 570 A CB -0.363 18.937 19.000 0.499 0.000 0.822 570 A HN 0.199 nan 8.150 nan 0.000 0.444 571 K N -0.410 119.821 120.400 -0.281 0.000 2.057 571 K HA -0.061 4.263 4.320 0.007 0.000 0.207 571 K C 2.338 178.836 176.600 -0.170 0.000 1.049 571 K CA 1.149 57.188 56.287 -0.414 0.000 0.931 571 K CB -0.348 31.767 32.500 -0.641 0.000 0.714 571 K HN 0.446 nan 8.250 nan 0.000 0.440 572 A N 1.588 124.330 122.820 -0.131 0.000 1.902 572 A HA -0.180 4.144 4.320 0.007 0.000 0.217 572 A C 2.134 179.685 177.584 -0.054 0.000 1.181 572 A CA 1.297 53.287 52.037 -0.079 0.000 0.623 572 A CB -0.376 18.586 19.000 -0.064 0.000 0.818 572 A HN 0.082 nan 8.150 nan 0.000 0.443 573 R N -0.342 120.130 120.500 -0.046 0.000 2.081 573 R HA 0.009 4.353 4.340 0.007 0.000 0.235 573 R C 1.847 178.117 176.300 -0.050 0.000 1.131 573 R CA 1.553 57.625 56.100 -0.047 0.000 0.960 573 R CB -0.670 29.598 30.300 -0.053 0.000 0.856 573 R HN 0.602 nan 8.270 nan 0.000 0.436 574 L N -1.167 120.038 121.223 -0.031 0.000 2.463 574 L HA 0.165 4.509 4.340 0.007 0.000 0.219 574 L C 1.577 178.456 176.870 0.014 0.000 1.088 574 L CA 0.408 55.236 54.840 -0.018 0.000 0.849 574 L CB -0.355 41.716 42.059 0.020 0.000 1.012 574 L HN 0.353 nan 8.230 nan 0.000 0.468 575 G N 1.280 110.086 108.800 0.011 0.000 2.672 575 G HA2 -0.443 3.521 3.960 0.007 0.000 0.324 575 G HA3 -0.443 3.521 3.960 0.007 0.000 0.324 575 G C 0.562 175.498 174.900 0.060 0.000 1.286 575 G CA 0.709 45.818 45.100 0.014 0.000 1.004 575 G HN 0.292 nan 8.290 nan 0.000 0.548 576 D N 0.680 121.104 120.400 0.040 0.000 2.220 576 D HA -0.088 4.556 4.640 0.007 0.000 0.198 576 D C 2.318 178.656 176.300 0.063 0.000 1.001 576 D CA 1.627 55.656 54.000 0.049 0.000 0.875 576 D CB -0.132 40.682 40.800 0.023 0.000 0.921 576 D HN 0.598 nan 8.370 nan 0.000 0.454 577 K N -0.461 119.969 120.400 0.051 0.000 2.432 577 K HA -0.028 4.297 4.320 0.007 0.000 0.196 577 K C 0.614 177.252 176.600 0.064 0.000 1.038 577 K CA -0.344 55.961 56.287 0.030 0.000 0.986 577 K CB -0.022 32.467 32.500 -0.019 0.000 0.782 577 K HN 0.145 nan 8.250 nan 0.000 0.485 578 F N 2.716 122.662 119.950 -0.006 0.000 2.538 578 F HA -0.026 4.504 4.527 0.006 0.000 0.371 578 F C 0.090 175.943 175.800 0.089 0.000 1.087 578 F CA -0.111 57.919 58.000 0.049 0.000 1.250 578 F CB 0.462 39.472 39.000 0.018 0.000 1.110 578 F HN -0.114 nan 8.300 nan 0.000 0.570 579 D N 6.808 126.796 120.400 -0.686 0.000 2.469 579 D HA 0.080 4.724 4.640 0.007 0.000 0.251 579 D C 0.654 176.516 176.300 -0.730 0.000 1.173 579 D CA -0.447 53.284 54.000 -0.449 0.000 0.882 579 D CB 1.416 42.127 40.800 -0.148 0.000 1.129 579 D HN 0.660 nan 8.370 nan 0.000 0.549 580 L N 4.794 125.698 121.223 -0.532 0.000 2.127 580 L HA -0.102 4.242 4.340 0.007 0.000 0.211 580 L C 2.090 178.692 176.870 -0.446 0.000 1.089 580 L CA 2.349 56.955 54.840 -0.390 0.000 0.757 580 L CB -0.464 41.528 42.059 -0.111 0.000 0.899 580 L HN 0.540 nan 8.230 nan 0.000 0.434 581 A N -1.029 121.618 122.820 -0.288 0.000 1.902 581 A HA -0.217 4.107 4.320 0.007 0.000 0.217 581 A C 2.193 179.654 177.584 -0.204 0.000 1.181 581 A CA 1.786 53.704 52.037 -0.198 0.000 0.623 581 A CB -0.530 18.415 19.000 -0.092 0.000 0.818 581 A HN 0.595 nan 8.150 nan 0.000 0.443 582 E N -1.524 118.535 120.200 -0.237 0.000 2.107 582 E HA -0.125 4.229 4.350 0.007 0.000 0.191 582 E C 1.728 177.922 176.600 -0.675 0.000 0.982 582 E CA 1.021 57.230 56.400 -0.318 0.000 0.809 582 E CB -0.243 29.409 29.700 -0.079 0.000 0.756 582 E HN 0.691 nan 8.360 nan 0.000 0.459 583 F N 1.428 120.894 119.950 -0.807 0.000 2.095 583 F HA -0.235 4.296 4.527 0.007 0.000 0.298 583 F C 1.987 177.563 175.800 -0.373 0.000 1.104 583 F CA 1.976 59.515 58.000 -0.768 0.000 1.232 583 F CB -0.267 38.517 39.000 -0.359 0.000 0.987 583 F HN 0.071 nan 8.300 nan 0.000 0.475 584 H N -1.033 117.911 119.070 -0.209 0.000 2.421 584 H HA -0.156 4.403 4.556 0.006 0.000 0.298 584 H C 1.718 176.912 175.328 -0.223 0.000 1.087 584 H CA 0.918 56.871 56.048 -0.159 0.000 1.330 584 H CB -0.103 29.590 29.762 -0.114 0.000 1.388 584 H HN 0.247 nan 8.280 nan 0.000 0.526 585 D N 0.124 120.438 120.400 -0.143 0.000 2.117 585 D HA -0.119 4.525 4.640 0.007 0.000 0.197 585 D C 2.294 178.442 176.300 -0.254 0.000 0.987 585 D CA 0.664 54.569 54.000 -0.158 0.000 0.829 585 D CB -0.229 40.475 40.800 -0.161 0.000 0.961 585 D HN 0.145 nan 8.370 nan 0.000 0.460 586 V N 0.520 120.179 119.914 -0.425 0.000 2.343 586 V HA -0.186 3.938 4.120 0.007 0.000 0.247 586 V C 2.599 178.494 176.094 -0.332 0.000 1.051 586 V CA 0.983 63.039 62.300 -0.407 0.000 1.036 586 V CB -0.360 31.114 31.823 -0.581 0.000 0.654 586 V HN 0.061 nan 8.190 nan 0.000 0.451 587 V N -0.489 119.170 119.914 -0.424 0.000 2.427 587 V HA -0.186 3.938 4.120 0.007 0.000 0.248 587 V C 2.110 178.115 176.094 -0.148 0.000 1.051 587 V CA 1.868 63.998 62.300 -0.282 0.000 1.048 587 V CB -0.369 31.242 31.823 -0.353 0.000 0.666 587 V HN 0.433 nan 8.190 nan 0.000 0.456 588 L N -1.285 119.812 121.223 -0.211 0.000 2.357 588 L HA 0.136 4.480 4.340 0.007 0.000 0.211 588 L C 1.942 178.708 176.870 -0.173 0.000 1.075 588 L CA 0.648 55.353 54.840 -0.225 0.000 0.830 588 L CB -0.100 41.792 42.059 -0.278 0.000 0.996 588 L HN 0.232 nan 8.230 nan 0.000 0.467 589 L N -0.376 120.752 121.223 -0.160 0.000 2.591 589 L HA 0.035 4.379 4.340 0.007 0.000 0.228 589 L C 0.754 177.535 176.870 -0.148 0.000 1.133 589 L CA 0.439 55.192 54.840 -0.145 0.000 0.880 589 L CB -0.301 41.687 42.059 -0.119 0.000 1.033 589 L HN 0.311 nan 8.230 nan 0.000 0.450 590 N N -0.040 118.560 118.700 -0.166 0.000 2.230 590 N HA 0.248 4.992 4.740 0.007 0.000 0.202 590 N C 0.712 176.086 175.510 -0.228 0.000 1.119 590 N CA 0.429 53.372 53.050 -0.178 0.000 0.851 590 N CB 0.787 39.169 38.487 -0.175 0.000 0.990 590 N HN 0.265 nan 8.380 nan 0.000 0.497 591 G N 0.617 109.269 108.800 -0.248 0.000 2.760 591 G HA2 -0.078 3.886 3.960 0.007 0.000 0.246 591 G HA3 -0.078 3.886 3.960 0.007 0.000 0.246 591 G C -0.394 174.129 174.900 -0.629 0.000 1.359 591 G CA -0.604 44.306 45.100 -0.316 0.000 0.861 591 G HN 0.384 nan 8.290 nan 0.000 0.541 592 A N -0.610 121.802 122.820 -0.679 0.000 2.454 592 A HA 0.728 5.052 4.320 0.007 0.000 0.260 592 A C 0.788 177.928 177.584 -0.739 0.000 1.106 592 A CA 0.796 52.156 52.037 -1.130 0.000 0.780 592 A CB 0.002 18.813 19.000 -0.315 0.000 1.044 592 A HN 2.394 nan 8.150 nan 0.000 0.498 593 V N -0.038 119.251 119.914 -1.042 0.000 3.114 593 V HA 0.771 4.895 4.120 0.007 0.000 0.308 593 V C -3.010 172.433 176.094 -1.086 0.000 1.168 593 V CA -2.672 59.071 62.300 -0.929 0.000 1.015 593 V CB 1.764 33.261 31.823 -0.544 0.000 1.050 593 V HN 0.660 nan 8.190 nan 0.000 0.433 594 P HA 0.221 nan 4.420 nan 0.000 0.269 594 P C 0.911 178.033 177.300 -0.297 0.000 1.215 594 P CA -0.217 62.499 63.100 -0.640 0.000 0.780 594 P CB 0.472 31.901 31.700 -0.452 0.000 0.898 595 M N 1.366 120.872 119.600 -0.157 0.000 2.202 595 M HA -0.162 4.322 4.480 0.007 0.000 0.262 595 M C 1.911 178.172 176.300 -0.064 0.000 1.063 595 M CA 1.963 57.223 55.300 -0.066 0.000 1.097 595 M CB -1.988 30.596 32.600 -0.027 0.000 1.382 595 M HN 0.457 nan 8.290 nan 0.000 0.413 596 A N -0.257 122.512 122.820 -0.086 0.000 1.933 596 A HA -0.057 4.268 4.320 0.007 0.000 0.218 596 A C 2.431 179.974 177.584 -0.068 0.000 1.175 596 A CA 1.588 53.587 52.037 -0.063 0.000 0.628 596 A CB -0.752 18.210 19.000 -0.063 0.000 0.814 596 A HN 0.314 nan 8.150 nan 0.000 0.444 597 V N -0.403 119.441 119.914 -0.117 0.000 2.407 597 V HA -0.158 3.966 4.120 0.007 0.000 0.245 597 V C 2.423 178.461 176.094 -0.094 0.000 1.041 597 V CA 1.594 63.823 62.300 -0.119 0.000 1.040 597 V CB -0.713 31.000 31.823 -0.184 0.000 0.671 597 V HN 0.568 nan 8.190 nan 0.000 0.455 598 L N 0.568 121.735 121.223 -0.093 0.000 2.042 598 L HA -0.164 4.180 4.340 0.007 0.000 0.210 598 L C 2.485 179.359 176.870 0.006 0.000 1.076 598 L CA 2.260 57.076 54.840 -0.040 0.000 0.749 598 L CB -0.817 41.247 42.059 0.008 0.000 0.893 598 L HN 0.303 nan 8.230 nan 0.000 0.432 599 S N -0.507 115.203 115.700 0.016 0.000 2.368 599 S HA -0.218 4.256 4.470 0.007 0.000 0.225 599 S C 2.045 176.684 174.600 0.065 0.000 1.030 599 S CA 1.424 59.656 58.200 0.053 0.000 0.999 599 S CB -0.464 62.759 63.200 0.039 0.000 0.844 599 S HN 0.515 nan 8.310 nan 0.000 0.459 600 R N 1.538 122.058 120.500 0.033 0.000 2.096 600 R HA -0.071 4.273 4.340 0.007 0.000 0.235 600 R C 1.645 177.996 176.300 0.084 0.000 1.127 600 R CA 1.443 57.572 56.100 0.047 0.000 0.968 600 R CB -0.228 30.078 30.300 0.010 0.000 0.861 600 R HN 0.269 nan 8.270 nan 0.000 0.440 601 N N 0.046 118.776 118.700 0.050 0.000 2.216 601 N HA -0.102 4.642 4.740 0.007 0.000 0.183 601 N C 1.745 177.360 175.510 0.175 0.000 1.017 601 N CA 1.077 54.160 53.050 0.056 0.000 0.861 601 N CB -0.150 38.315 38.487 -0.037 0.000 0.986 601 N HN 0.048 nan 8.380 nan 0.000 0.428 602 V N 2.036 122.059 119.914 0.181 0.000 2.343 602 V HA -0.176 3.948 4.120 0.007 0.000 0.247 602 V C 1.802 178.127 176.094 0.384 0.000 1.051 602 V CA 1.301 63.809 62.300 0.346 0.000 1.036 602 V CB -0.459 31.555 31.823 0.319 0.000 0.654 602 V HN 0.303 nan 8.190 nan 0.000 0.451 603 N N -0.605 118.236 118.700 0.236 0.000 2.223 603 N HA -0.184 4.560 4.740 0.007 0.000 0.185 603 N C 1.843 177.451 175.510 0.165 0.000 1.016 603 N CA 1.340 54.487 53.050 0.162 0.000 0.863 603 N CB -0.542 38.009 38.487 0.107 0.000 0.983 603 N HN 0.625 nan 8.380 nan 0.000 0.429 604 H N -1.092 118.054 119.070 0.126 0.000 2.389 604 H HA -0.142 4.418 4.556 0.007 0.000 0.299 604 H C 1.907 177.328 175.328 0.155 0.000 1.081 604 H CA 1.413 57.525 56.048 0.107 0.000 1.345 604 H CB -0.187 29.631 29.762 0.093 0.000 1.393 604 H HN 0.346 nan 8.280 nan 0.000 0.520 605 W N 1.746 123.124 121.300 0.129 0.000 2.407 605 W HA -0.087 4.577 4.660 0.006 0.000 0.305 605 W C 2.164 178.695 176.519 0.020 0.000 1.196 605 W CA 1.054 58.446 57.345 0.078 0.000 1.311 605 W CB -0.819 28.700 29.460 0.099 0.000 1.135 605 W HN 0.100 nan 8.180 nan 0.000 0.514 606 L N 0.800 121.910 121.223 -0.189 0.000 2.079 606 L HA -0.248 4.096 4.340 0.007 0.000 0.210 606 L C 1.998 178.714 176.870 -0.257 0.000 1.081 606 L CA 1.778 56.384 54.840 -0.390 0.000 0.752 606 L CB -0.902 41.049 42.059 -0.181 0.000 0.896 606 L HN -0.062 nan 8.230 nan 0.000 0.433 607 D N -0.407 119.898 120.400 -0.159 0.000 2.312 607 D HA -0.101 4.543 4.640 0.007 0.000 0.211 607 D C 1.251 177.451 176.300 -0.167 0.000 0.964 607 D CA 0.756 54.668 54.000 -0.147 0.000 0.877 607 D CB -0.201 40.523 40.800 -0.127 0.000 0.924 607 D HN 0.261 nan 8.370 nan 0.000 0.515 608 N N 0.531 119.117 118.700 -0.190 0.000 2.276 608 N HA 0.025 4.769 4.740 0.007 0.000 0.212 608 N C 0.257 175.683 175.510 -0.140 0.000 1.127 608 N CA 0.181 53.145 53.050 -0.143 0.000 0.834 608 N CB 0.619 39.044 38.487 -0.103 0.000 1.014 608 N HN 0.087 nan 8.380 nan 0.000 0.491 609 K N 0.000 120.283 120.400 -0.195 0.000 2.780 609 K HA 0.000 4.324 4.320 0.007 0.000 0.191 609 K CA 0.000 56.175 56.287 -0.186 0.000 0.838 609 K CB 0.000 32.318 32.500 -0.303 0.000 1.064 609 K HN 0.000 nan 8.250 nan 0.000 0.543