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 3lpp_1_B DATA FIRST_RESID 30 DATA SEQUENCE cPNVLNDPVN VRINcIPEQF PTEGIcAQRG ccWRPWNDSL IPWcFFVDNH DATA SEQUENCE GYNVQDMTTT SIGVEAKLNR IPSPTLFGND INSVLFTTQN QTPNRFRFKI DATA SEQUENCE TDPNNRRYEV PHQYVKEFTG PTVSDTLYDV KVAQNPFSIQ VIRKSNGKTL DATA SEQUENCE FDTSIGPLVY SDQYLQISAR LPSDYIYGIG EQVHKRFRHD LSWKTWPIFT DATA SEQUENCE RDQLPGDNNN NLYGHQTFFM CIEDTSGKSF GVFLMNSNAM EIFIQPTPIV DATA SEQUENCE TYRVTGGILD FYILLGDTPE QVVQQYQQLV GLPAMPAYWN LGFQLSRWNY DATA SEQUENCE KSLDVVKEVV RRNREAGIPF DTQVTDIDYM EDKKDFTYDQ VAFNGLPQFV DATA SEQUENCE QDLHDHGQKY VIILDPAISI GRRANGTTYA TYERGNTQHV WINESDGSTP DATA SEQUENCE IIGEVWPGLT VYPDFTNPNC IDWWANECSI FHQEVQYDGL WIDMNEVSSF DATA SEQUENCE IQGSTKGCNV NKLNYPPFTP DILDKLMYSK TICMDAVQNW GKQYDVHSLY DATA SEQUENCE GYSMAIATEQ AVQKVFPNKR SFILTRSTFA GSGRHAAHWL GDNTASWEQM DATA SEQUENCE EWSITGMLEF SLFGIPLVGA DIcGFVAETT EELcRRWMQL GAFYPFSRNH DATA SEQUENCE NSDGYEHQDP AFFGQNSLLV KSSRQYLTIR YTLLPFLYTL FYKAHVFGET DATA SEQUENCE VARPVLHEFY EDTNSWIEDT EFLWGPALLI TPVLKQGADT VSAYIPDAIW DATA SEQUENCE YDYESGAKRP WRKQRVDMYL PADKIGLHLR GGYIIPIQEP DVTTTASRKN DATA SEQUENCE PLGLIVALGE NNTAKGDFFW DDGETKDTIQ NGNYILYTFS VSNNTLDIVC DATA SEQUENCE THSSYQEGTT LAFQTVKILG LTDSVTEVRV AENNQPMNAH SNFTYDASNQ DATA SEQUENCE VLLIADLKLN LGRNFSVQW 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 30 c HA 0.000 nan 4.570 nan 0.000 0.325 30 c C 0.000 174.103 174.090 0.022 0.000 1.270 30 c CA 0.000 56.308 56.329 -0.036 0.000 1.963 30 c CB 0.000 42.474 42.510 -0.060 0.000 2.134 31 P HA 0.273 nan 4.420 nan 0.000 0.269 31 P C 0.566 177.899 177.300 0.054 0.000 1.209 31 P CA 0.082 63.226 63.100 0.073 0.000 0.776 31 P CB 0.774 32.541 31.700 0.112 0.000 0.876 32 N N 0.078 118.803 118.700 0.042 0.000 2.216 32 N HA -0.035 4.705 4.740 -0.000 0.000 0.183 32 N C 0.363 175.895 175.510 0.037 0.000 1.017 32 N CA 0.669 53.739 53.050 0.033 0.000 0.861 32 N CB -0.132 38.370 38.487 0.025 0.000 0.986 32 N HN 0.172 nan 8.380 nan 0.000 0.428 33 V N 2.040 121.979 119.914 0.042 0.000 2.509 33 V HA 0.043 4.163 4.120 -0.000 0.000 0.284 33 V C 1.390 177.520 176.094 0.060 0.000 1.047 33 V CA -0.379 61.947 62.300 0.044 0.000 0.952 33 V CB 1.840 33.685 31.823 0.037 0.000 0.988 33 V HN 0.037 nan 8.190 nan 0.000 0.469 34 L N 4.995 126.257 121.223 0.064 0.000 2.129 34 L HA -0.063 4.277 4.340 -0.000 0.000 0.212 34 L C 1.405 178.353 176.870 0.131 0.000 1.087 34 L CA 1.783 56.680 54.840 0.094 0.000 0.757 34 L CB -0.369 41.738 42.059 0.080 0.000 0.896 34 L HN 0.694 nan 8.230 nan 0.000 0.434 35 N N 1.363 120.124 118.700 0.102 0.000 3.131 35 N HA 0.061 4.801 4.740 -0.000 0.000 0.312 35 N C -0.781 174.738 175.510 0.015 0.000 1.433 35 N CA -0.078 53.035 53.050 0.105 0.000 1.141 35 N CB -0.271 38.290 38.487 0.123 0.000 1.431 35 N HN 0.504 nan 8.380 nan 0.000 0.523 36 D N 0.279 120.655 120.400 -0.040 0.000 2.382 36 D HA 0.082 4.722 4.640 -0.000 0.000 0.240 36 D C -2.257 173.936 176.300 -0.177 0.000 1.146 36 D CA -0.969 52.978 54.000 -0.088 0.000 0.897 36 D CB 0.762 41.514 40.800 -0.081 0.000 1.197 36 D HN 0.093 nan 8.370 nan 0.000 0.432 37 P HA -0.026 nan 4.420 nan 0.000 0.269 37 P C 1.288 178.444 177.300 -0.238 0.000 1.252 37 P CA -0.360 62.653 63.100 -0.145 0.000 0.780 37 P CB 1.028 32.678 31.700 -0.084 0.000 0.829 38 V N 1.361 121.082 119.914 -0.322 0.000 2.626 38 V HA -0.189 3.931 4.120 -0.000 0.000 0.252 38 V C 1.532 177.540 176.094 -0.143 0.000 1.067 38 V CA 1.421 63.447 62.300 -0.456 0.000 1.081 38 V CB -1.511 29.836 31.823 -0.792 0.000 0.686 38 V HN 0.320 nan 8.190 nan 0.000 0.468 39 N N 1.083 119.775 118.700 -0.012 0.000 2.550 39 N HA 0.010 4.750 4.740 -0.000 0.000 0.186 39 N C 1.406 176.913 175.510 -0.005 0.000 1.110 39 N CA 1.076 54.184 53.050 0.096 0.000 0.912 39 N CB 0.260 38.744 38.487 -0.006 0.000 0.968 39 N HN 0.666 nan 8.380 nan 0.000 0.448 40 V N -1.893 117.996 119.914 -0.042 0.000 3.578 40 V HA 0.251 4.371 4.120 -0.000 0.000 0.290 40 V C 0.393 176.476 176.094 -0.018 0.000 1.376 40 V CA -0.371 61.903 62.300 -0.043 0.000 1.083 40 V CB -0.305 31.486 31.823 -0.054 0.000 0.911 40 V HN 0.052 nan 8.190 nan 0.000 0.433 41 R N 1.046 121.506 120.500 -0.067 0.000 2.484 41 R HA 0.451 4.791 4.340 -0.000 0.000 0.293 41 R C -0.884 175.496 176.300 0.134 0.000 1.023 41 R CA 0.037 56.067 56.100 -0.117 0.000 1.037 41 R CB 0.662 30.650 30.300 -0.520 0.000 0.951 41 R HN 0.343 nan 8.270 nan 0.000 0.418 42 I N 2.716 123.430 120.570 0.239 0.000 2.339 42 I HA 0.046 4.216 4.170 -0.000 0.000 0.290 42 I C 0.239 176.570 176.117 0.356 0.000 0.994 42 I CA -0.485 61.000 61.300 0.309 0.000 1.191 42 I CB 1.231 39.407 38.000 0.294 0.000 1.343 42 I HN 0.449 nan 8.210 nan 0.000 0.458 43 N N 5.048 123.872 118.700 0.208 0.000 2.438 43 N HA -0.048 4.692 4.740 -0.000 0.000 0.267 43 N C 0.703 176.178 175.510 -0.058 0.000 1.222 43 N CA 0.255 53.333 53.050 0.047 0.000 0.930 43 N CB 0.929 39.368 38.487 -0.079 0.000 1.083 43 N HN 0.796 nan 8.380 nan 0.000 0.476 44 c N 4.374 122.750 118.600 -0.372 0.000 2.594 44 c HA 0.330 4.900 4.570 -0.000 0.000 0.265 44 c C 0.895 174.747 174.090 -0.396 0.000 1.351 44 c CA -0.124 55.701 56.329 -0.841 0.000 1.744 44 c CB -0.943 40.894 42.510 -1.122 0.000 1.890 44 c HN 0.698 nan 8.230 nan 0.000 0.551 45 I N 2.300 122.746 120.570 -0.208 0.000 2.905 45 I HA 0.244 4.414 4.170 -0.000 0.000 0.297 45 I C -1.623 174.461 176.117 -0.055 0.000 1.358 45 I CA -1.084 60.144 61.300 -0.119 0.000 0.975 45 I CB 0.915 38.852 38.000 -0.105 0.000 1.857 45 I HN 0.103 nan 8.210 nan 0.000 0.612 46 P HA -0.126 nan 4.420 nan 0.000 0.231 46 P C 0.992 178.360 177.300 0.113 0.000 1.168 46 P CA 1.191 64.301 63.100 0.017 0.000 0.779 46 P CB 0.337 32.078 31.700 0.068 0.000 0.844 47 E N 1.102 121.429 120.200 0.210 0.000 2.452 47 E HA -0.021 4.329 4.350 -0.000 0.000 0.197 47 E C 0.594 177.265 176.600 0.119 0.000 1.022 47 E CA 0.308 56.848 56.400 0.234 0.000 0.890 47 E CB 0.074 30.023 29.700 0.415 0.000 0.918 47 E HN 0.465 nan 8.360 nan 0.000 0.496 48 Q N -0.887 118.962 119.800 0.083 0.000 2.565 48 Q HA 0.384 4.723 4.340 -0.000 0.000 0.294 48 Q C -1.044 174.992 176.000 0.061 0.000 1.005 48 Q CA -1.086 54.763 55.803 0.078 0.000 0.771 48 Q CB 0.539 29.327 28.738 0.083 0.000 1.486 48 Q HN -0.052 nan 8.270 nan 0.000 0.422 49 F N 3.502 123.427 119.950 -0.042 0.000 2.602 49 F HA 0.212 4.739 4.527 -0.000 0.000 0.385 49 F C -1.984 173.803 175.800 -0.020 0.000 1.063 49 F CA -1.313 56.644 58.000 -0.072 0.000 1.233 49 F CB 0.625 39.590 39.000 -0.058 0.000 1.067 49 F HN 0.382 nan 8.300 nan 0.000 0.564 50 P HA 0.155 nan 4.420 nan 0.000 0.271 50 P C -0.941 176.342 177.300 -0.029 0.000 1.216 50 P CA -0.218 62.728 63.100 -0.255 0.000 0.776 50 P CB 1.295 32.892 31.700 -0.173 0.000 0.881 51 T N 0.751 115.305 114.554 0.000 0.000 2.933 51 T HA 0.100 4.450 4.350 -0.000 0.000 0.305 51 T C 0.901 175.150 174.700 -0.752 0.000 1.092 51 T CA -0.361 61.608 62.100 -0.218 0.000 1.008 51 T CB 1.908 70.725 68.868 -0.085 0.000 1.102 51 T HN 0.484 nan 8.240 nan 0.000 0.469 52 E N 2.280 121.708 120.200 -1.286 0.000 2.077 52 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 52 E C 2.037 178.238 176.600 -0.665 0.000 0.989 52 E CA 1.731 57.219 56.400 -1.520 0.000 0.800 52 E CB -0.406 28.430 29.700 -1.440 0.000 0.746 52 E HN 0.827 nan 8.360 nan 0.000 0.452 53 G N 1.598 110.144 108.800 -0.423 0.000 2.446 53 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 53 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 53 G C 1.534 176.310 174.900 -0.207 0.000 1.168 53 G CA 0.867 45.816 45.100 -0.250 0.000 0.771 53 G HN 0.228 nan 8.290 nan 0.000 0.551 54 I N 0.585 121.033 120.570 -0.204 0.000 2.286 54 I HA -0.108 4.062 4.170 -0.000 0.000 0.248 54 I C 2.937 178.954 176.117 -0.167 0.000 1.115 54 I CA 0.359 61.564 61.300 -0.159 0.000 1.392 54 I CB -1.331 36.593 38.000 -0.128 0.000 1.065 54 I HN 0.258 nan 8.210 nan 0.000 0.418 55 c N 0.980 119.463 118.600 -0.195 0.000 2.436 55 c HA -0.104 4.466 4.570 -0.000 0.000 0.277 55 c C 3.196 177.210 174.090 -0.126 0.000 1.241 55 c CA 1.184 57.431 56.329 -0.138 0.000 1.721 55 c CB -1.118 41.368 42.510 -0.039 0.000 2.043 55 c HN 0.573 nan 8.230 nan 0.000 0.472 56 A N -0.651 122.078 122.820 -0.151 0.000 1.940 56 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 56 A C 2.167 179.698 177.584 -0.088 0.000 1.176 56 A CA 2.030 54.001 52.037 -0.111 0.000 0.631 56 A CB -0.947 17.977 19.000 -0.128 0.000 0.814 56 A HN 0.829 nan 8.150 nan 0.000 0.446 57 Q N -0.517 119.222 119.800 -0.102 0.000 2.124 57 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 57 Q C 1.983 177.944 176.000 -0.065 0.000 0.977 57 Q CA 1.471 57.225 55.803 -0.082 0.000 0.850 57 Q CB -0.065 28.618 28.738 -0.092 0.000 0.901 57 Q HN 0.663 nan 8.270 nan 0.000 0.429 58 R N -0.933 119.522 120.500 -0.075 0.000 2.299 58 R HA 0.075 4.415 4.340 -0.000 0.000 0.197 58 R C 0.863 177.216 176.300 0.087 0.000 0.971 58 R CA 0.504 56.589 56.100 -0.025 0.000 1.030 58 R CB 0.232 30.452 30.300 -0.132 0.000 0.932 58 R HN 0.433 nan 8.270 nan 0.000 0.477 59 G N 0.961 109.772 108.800 0.018 0.000 2.246 59 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.273 59 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.273 59 G C 0.109 175.051 174.900 0.070 0.000 1.055 59 G CA 0.155 45.275 45.100 0.033 0.000 0.851 59 G HN 0.343 nan 8.290 nan 0.000 0.500 60 c N -1.369 117.214 118.600 -0.028 0.000 2.547 60 c HA 0.806 5.376 4.570 -0.000 0.000 0.411 60 c C 1.303 175.284 174.090 -0.182 0.000 1.424 60 c CA -0.285 55.964 56.329 -0.134 0.000 1.848 60 c CB 1.589 43.901 42.510 -0.331 0.000 2.062 60 c HN 0.902 nan 8.230 nan 0.000 0.504 61 c N 2.296 120.669 118.600 -0.378 0.000 2.307 61 c HA 0.526 5.096 4.570 -0.000 0.000 0.340 61 c C -0.264 173.582 174.090 -0.406 0.000 1.275 61 c CA -0.522 55.525 56.329 -0.471 0.000 1.811 61 c CB -0.884 41.161 42.510 -0.776 0.000 2.372 61 c HN 0.890 nan 8.230 nan 0.000 0.531 62 W N 8.098 129.221 121.300 -0.294 0.000 2.308 62 W HA 0.510 5.169 4.660 -0.000 0.000 0.311 62 W C -0.192 176.300 176.519 -0.046 0.000 1.088 62 W CA -0.560 56.703 57.345 -0.137 0.000 1.309 62 W CB 0.506 29.915 29.460 -0.085 0.000 1.229 62 W HN 0.836 nan 8.180 nan 0.000 0.427 63 R N 7.508 127.759 120.500 -0.416 0.000 2.985 63 R HA 0.275 4.614 4.340 -0.000 0.000 0.259 63 R C -2.744 173.285 176.300 -0.451 0.000 1.815 63 R CA -1.269 54.652 56.100 -0.298 0.000 1.278 63 R CB 1.116 31.493 30.300 0.129 0.000 1.403 63 R HN 0.108 nan 8.270 nan 0.000 0.534 64 P HA 0.028 nan 4.420 nan 0.000 0.269 64 P C -1.007 175.869 177.300 -0.706 0.000 1.209 64 P CA -0.174 62.169 63.100 -1.262 0.000 0.776 64 P CB 0.562 31.447 31.700 -1.359 0.000 0.876 65 W N 2.559 123.192 121.300 -1.111 0.000 2.894 65 W HA 0.158 4.817 4.660 -0.000 0.000 0.345 65 W C 0.516 176.873 176.519 -0.271 0.000 1.152 65 W CA -0.693 56.402 57.345 -0.417 0.000 1.089 65 W CB 1.848 31.239 29.460 -0.114 0.000 1.454 65 W HN 0.328 nan 8.180 nan 0.000 0.589 66 N N 0.871 119.178 118.700 -0.655 0.000 2.370 66 N HA -0.021 4.718 4.740 -0.000 0.000 0.198 66 N C -0.863 174.596 175.510 -0.085 0.000 1.156 66 N CA 0.339 53.148 53.050 -0.402 0.000 0.839 66 N CB -0.265 37.892 38.487 -0.551 0.000 0.989 66 N HN 0.353 nan 8.380 nan 0.000 0.468 67 D N -3.378 117.126 120.400 0.173 0.000 2.615 67 D HA 0.291 4.931 4.640 -0.000 0.000 0.267 67 D C -0.550 175.969 176.300 0.365 0.000 1.236 67 D CA -0.882 53.263 54.000 0.242 0.000 0.839 67 D CB 0.633 41.517 40.800 0.140 0.000 1.380 67 D HN -0.206 nan 8.370 nan 0.000 0.433 68 S N -0.719 115.067 115.700 0.145 0.000 2.556 68 S HA 0.161 4.631 4.470 -0.000 0.000 0.216 68 S C 1.585 176.033 174.600 -0.255 0.000 0.970 68 S CA -0.264 57.866 58.200 -0.115 0.000 0.912 68 S CB -0.399 62.728 63.200 -0.122 0.000 0.790 68 S HN 0.423 nan 8.310 nan 0.000 0.504 69 L N 0.614 121.690 121.223 -0.245 0.000 2.056 69 L HA 0.082 4.422 4.340 -0.000 0.000 0.207 69 L C 0.468 176.733 176.870 -1.008 0.000 1.078 69 L CA 0.844 55.363 54.840 -0.535 0.000 0.749 69 L CB -0.358 41.379 42.059 -0.536 0.000 0.901 69 L HN 0.225 nan 8.230 nan 0.000 0.433 70 I N 0.711 120.841 120.570 -0.733 0.000 2.496 70 I HA 0.085 4.254 4.170 -0.000 0.000 0.285 70 I C -2.020 173.845 176.117 -0.420 0.000 1.080 70 I CA -1.675 59.174 61.300 -0.752 0.000 1.404 70 I CB 0.483 38.204 38.000 -0.465 0.000 1.403 70 I HN -0.216 nan 8.210 nan 0.000 0.539 71 P HA -0.067 nan 4.420 nan 0.000 0.267 71 P C -0.332 177.020 177.300 0.087 0.000 1.205 71 P CA -0.049 62.939 63.100 -0.186 0.000 0.765 71 P CB 0.287 31.948 31.700 -0.066 0.000 0.828 72 W N 1.694 122.898 121.300 -0.161 0.000 2.863 72 W HA 0.165 4.825 4.660 -0.000 0.000 0.258 72 W C 0.486 176.948 176.519 -0.095 0.000 1.298 72 W CA -0.188 57.010 57.345 -0.245 0.000 1.451 72 W CB -0.591 28.558 29.460 -0.519 0.000 1.107 72 W HN 0.252 nan 8.180 nan 0.000 0.641 73 c N 2.492 121.253 118.600 0.268 0.000 2.346 73 c HA 0.686 5.256 4.570 -0.000 0.000 0.326 73 c C -0.465 173.667 174.090 0.070 0.000 1.224 73 c CA -0.978 55.445 56.329 0.156 0.000 1.408 73 c CB -1.384 41.228 42.510 0.170 0.000 2.089 73 c HN 0.097 nan 8.230 nan 0.000 0.456 74 F N 2.801 122.678 119.950 -0.122 0.000 2.629 74 F HA 0.696 5.223 4.527 -0.000 0.000 0.316 74 F C -0.068 175.640 175.800 -0.154 0.000 1.081 74 F CA -1.254 56.655 58.000 -0.153 0.000 0.954 74 F CB 0.537 39.514 39.000 -0.037 0.000 1.337 74 F HN 0.375 nan 8.300 nan 0.000 0.474 75 F N 0.653 120.679 119.950 0.127 0.000 2.163 75 F HA 0.034 4.561 4.527 -0.000 0.000 0.297 75 F C 1.676 177.520 175.800 0.073 0.000 1.094 75 F CA 1.474 59.499 58.000 0.041 0.000 1.290 75 F CB -0.370 38.658 39.000 0.046 0.000 1.017 75 F HN 0.422 nan 8.300 nan 0.000 0.483 76 V N -0.055 120.080 119.914 0.368 0.000 0.690 76 V HA -0.434 3.686 4.120 -0.000 0.000 0.092 76 V C 0.578 176.799 176.094 0.211 0.000 0.781 76 V CA 1.623 64.080 62.300 0.261 0.000 3.099 76 V CB -1.479 30.447 31.823 0.172 0.000 0.189 76 V HN 0.472 nan 8.190 nan 0.000 0.087 77 D N -0.172 120.320 120.400 0.153 0.000 2.772 77 D HA 0.198 4.837 4.640 -0.000 0.000 0.272 77 D C 0.668 177.046 176.300 0.130 0.000 1.314 77 D CA 0.017 54.089 54.000 0.121 0.000 0.835 77 D CB -0.274 40.569 40.800 0.071 0.000 1.080 77 D HN 0.523 nan 8.370 nan 0.000 0.482 78 N N -0.001 118.826 118.700 0.212 0.000 2.333 78 N HA -0.034 4.706 4.740 -0.000 0.000 0.178 78 N C -0.135 175.484 175.510 0.181 0.000 1.018 78 N CA 0.741 53.915 53.050 0.206 0.000 0.882 78 N CB 0.165 38.813 38.487 0.269 0.000 0.984 78 N HN 0.376 nan 8.380 nan 0.000 0.434 79 H N -1.309 117.847 119.070 0.143 0.000 2.676 79 H HA 0.713 5.268 4.556 -0.000 0.000 0.352 79 H C 0.815 176.159 175.328 0.027 0.000 1.193 79 H CA 0.121 56.223 56.048 0.091 0.000 1.243 79 H CB 1.799 31.657 29.762 0.161 0.000 1.751 79 H HN 0.222 nan 8.280 nan 0.000 0.567 80 G N -0.690 108.191 108.800 0.136 0.000 2.302 80 G HA2 0.071 4.031 3.960 -0.000 0.000 0.276 80 G HA3 0.071 4.031 3.960 -0.000 0.000 0.276 80 G C -2.118 172.839 174.900 0.094 0.000 1.316 80 G CA -0.935 44.278 45.100 0.189 0.000 0.988 80 G HN 0.395 nan 8.290 nan 0.000 0.479 81 Y N 0.365 120.718 120.300 0.089 0.000 2.545 81 Y HA 0.691 5.241 4.550 -0.000 0.000 0.348 81 Y C 0.262 176.207 175.900 0.076 0.000 1.002 81 Y CA -1.077 57.055 58.100 0.053 0.000 1.039 81 Y CB 2.340 40.792 38.460 -0.013 0.000 1.271 81 Y HN 0.543 nan 8.280 nan 0.000 0.467 82 N N 0.089 118.884 118.700 0.159 0.000 2.384 82 N HA 0.451 5.191 4.740 -0.000 0.000 0.301 82 N C -1.331 174.241 175.510 0.104 0.000 1.133 82 N CA -0.668 52.452 53.050 0.117 0.000 0.853 82 N CB 2.274 40.791 38.487 0.049 0.000 1.241 82 N HN 0.256 nan 8.380 nan 0.000 0.502 83 V N 2.198 122.169 119.914 0.095 0.000 2.427 83 V HA 0.034 4.154 4.120 -0.000 0.000 0.268 83 V C 1.696 177.816 176.094 0.042 0.000 1.046 83 V CA 0.094 62.431 62.300 0.061 0.000 0.970 83 V CB 1.024 32.895 31.823 0.079 0.000 1.001 83 V HN 0.717 nan 8.190 nan 0.000 0.476 84 Q N 3.697 123.515 119.800 0.030 0.000 2.020 84 Q HA -0.060 4.280 4.340 -0.000 0.000 0.198 84 Q C 0.154 176.170 176.000 0.026 0.000 0.974 84 Q CA 1.743 57.561 55.803 0.024 0.000 0.829 84 Q CB 0.416 29.165 28.738 0.018 0.000 0.894 84 Q HN 1.026 nan 8.270 nan 0.000 0.433 85 D N -1.517 118.901 120.400 0.031 0.000 2.655 85 D HA 0.408 5.047 4.640 -0.000 0.000 0.229 85 D C -1.214 175.117 176.300 0.052 0.000 1.229 85 D CA -0.610 53.412 54.000 0.035 0.000 0.807 85 D CB 1.189 42.005 40.800 0.027 0.000 1.514 85 D HN 0.164 nan 8.370 nan 0.000 0.444 86 M N 0.992 120.627 119.600 0.058 0.000 2.393 86 M HA 0.589 5.069 4.480 -0.000 0.000 0.299 86 M C -1.637 174.703 176.300 0.067 0.000 1.103 86 M CA -0.081 55.268 55.300 0.083 0.000 0.910 86 M CB 2.401 35.058 32.600 0.095 0.000 1.659 86 M HN 0.558 nan 8.290 nan 0.000 0.445 87 T N 2.472 117.068 114.554 0.071 0.000 2.916 87 T HA 0.577 4.926 4.350 -0.000 0.000 0.298 87 T C -0.935 173.800 174.700 0.058 0.000 1.031 87 T CA -0.426 61.706 62.100 0.053 0.000 0.993 87 T CB 1.323 70.214 68.868 0.037 0.000 1.045 87 T HN 0.723 nan 8.240 nan 0.000 0.454 88 T N 4.019 118.604 114.554 0.051 0.000 2.869 88 T HA 0.533 4.883 4.350 -0.000 0.000 0.295 88 T C 0.655 175.380 174.700 0.042 0.000 0.987 88 T CA -0.463 61.669 62.100 0.053 0.000 1.109 88 T CB 0.877 69.774 68.868 0.048 0.000 0.932 88 T HN 0.853 nan 8.240 nan 0.000 0.518 89 T N -1.407 113.175 114.554 0.046 0.000 2.919 89 T HA 0.406 4.756 4.350 -0.000 0.000 0.282 89 T C 1.690 176.418 174.700 0.047 0.000 1.020 89 T CA -0.292 61.831 62.100 0.038 0.000 0.994 89 T CB 1.170 70.057 68.868 0.032 0.000 1.180 89 T HN 0.412 nan 8.240 nan 0.000 0.566 90 S N 0.371 116.094 115.700 0.040 0.000 2.442 90 S HA -0.079 4.391 4.470 -0.000 0.000 0.236 90 S C 1.670 176.319 174.600 0.082 0.000 1.007 90 S CA 1.096 59.324 58.200 0.046 0.000 0.965 90 S CB -1.066 62.148 63.200 0.023 0.000 0.773 90 S HN 0.862 nan 8.310 nan 0.000 0.504 91 I N -3.149 117.486 120.570 0.108 0.000 4.081 91 I HA 0.692 4.862 4.170 -0.000 0.000 0.333 91 I C 0.813 177.029 176.117 0.164 0.000 1.413 91 I CA -0.277 61.137 61.300 0.189 0.000 1.110 91 I CB 0.454 38.647 38.000 0.320 0.000 1.082 91 I HN 0.378 nan 8.210 nan 0.000 0.402 92 G N 1.516 110.389 108.800 0.121 0.000 2.534 92 G HA2 0.306 4.266 3.960 -0.000 0.000 0.142 92 G HA3 0.306 4.266 3.960 -0.000 0.000 0.142 92 G C -1.105 173.850 174.900 0.093 0.000 1.178 92 G CA 0.056 45.231 45.100 0.125 0.000 1.037 92 G HN 0.538 nan 8.290 nan 0.000 0.474 93 V N -2.300 117.660 119.914 0.078 0.000 3.102 93 V HA 0.948 5.068 4.120 -0.000 0.000 0.312 93 V C -0.844 175.260 176.094 0.016 0.000 1.135 93 V CA -0.534 61.815 62.300 0.081 0.000 1.022 93 V CB 1.960 33.882 31.823 0.165 0.000 1.056 93 V HN 1.139 nan 8.190 nan 0.000 0.436 94 E N 1.003 121.237 120.200 0.056 0.000 2.263 94 E HA 0.781 5.130 4.350 -0.000 0.000 0.268 94 E C -1.052 175.616 176.600 0.112 0.000 0.884 94 E CA -0.622 55.795 56.400 0.029 0.000 0.766 94 E CB 1.982 31.683 29.700 0.000 0.000 1.196 94 E HN 1.409 nan 8.360 nan 0.000 0.416 95 A N 4.415 127.341 122.820 0.178 0.000 2.381 95 A HA 0.438 4.758 4.320 -0.000 0.000 0.299 95 A C -0.993 176.634 177.584 0.070 0.000 1.049 95 A CA -0.789 51.347 52.037 0.166 0.000 0.715 95 A CB 1.321 20.479 19.000 0.263 0.000 1.222 95 A HN 0.561 nan 8.150 nan 0.000 0.428 96 K N 2.679 123.096 120.400 0.028 0.000 2.349 96 K HA 0.503 4.823 4.320 -0.000 0.000 0.288 96 K C -1.031 175.555 176.600 -0.024 0.000 1.058 96 K CA 0.026 56.309 56.287 -0.008 0.000 0.953 96 K CB 0.155 32.657 32.500 0.003 0.000 0.997 96 K HN 0.657 nan 8.250 nan 0.000 0.477 97 L N 3.936 125.119 121.223 -0.066 0.000 2.329 97 L HA 0.407 4.747 4.340 -0.000 0.000 0.279 97 L C -0.505 176.438 176.870 0.121 0.000 1.014 97 L CA -1.050 53.768 54.840 -0.037 0.000 0.814 97 L CB 1.808 43.715 42.059 -0.254 0.000 1.257 97 L HN 0.661 nan 8.230 nan 0.000 0.424 98 N N 1.209 119.999 118.700 0.150 0.000 2.321 98 N HA 0.364 5.104 4.740 -0.000 0.000 0.299 98 N C -0.754 174.708 175.510 -0.080 0.000 1.048 98 N CA -0.788 52.321 53.050 0.098 0.000 0.836 98 N CB 1.984 40.482 38.487 0.018 0.000 1.269 98 N HN 0.440 nan 8.380 nan 0.000 0.486 99 R N 2.392 122.662 120.500 -0.384 0.000 2.489 99 R HA 0.202 4.542 4.340 -0.000 0.000 0.287 99 R C -0.337 175.706 176.300 -0.429 0.000 1.053 99 R CA -0.191 55.342 56.100 -0.944 0.000 1.036 99 R CB 0.211 30.056 30.300 -0.759 0.000 0.966 99 R HN 0.559 nan 8.270 nan 0.000 0.432 100 I N 7.677 128.020 120.570 -0.379 0.000 2.598 100 I HA 0.055 4.225 4.170 -0.000 0.000 0.284 100 I C -1.540 174.456 176.117 -0.202 0.000 1.140 100 I CA -1.680 59.501 61.300 -0.199 0.000 1.420 100 I CB 0.854 38.779 38.000 -0.125 0.000 1.387 100 I HN 0.471 nan 8.210 nan 0.000 0.553 101 P HA 0.033 nan 4.420 nan 0.000 0.266 101 P C -0.612 176.593 177.300 -0.157 0.000 1.419 101 P CA 0.027 63.047 63.100 -0.134 0.000 1.112 101 P CB 0.033 31.678 31.700 -0.092 0.000 1.438 102 S N 3.673 119.242 115.700 -0.218 0.000 2.671 102 S HA 0.841 5.311 4.470 -0.000 0.000 0.299 102 S C -2.855 171.614 174.600 -0.218 0.000 1.116 102 S CA -1.930 56.083 58.200 -0.312 0.000 0.912 102 S CB 0.595 63.363 63.200 -0.721 0.000 1.130 102 S HN 0.042 nan 8.310 nan 0.000 0.501 103 P HA 0.284 nan 4.420 nan 0.000 0.272 103 P C -0.170 177.146 177.300 0.028 0.000 1.240 103 P CA -0.222 62.847 63.100 -0.051 0.000 0.791 103 P CB 0.157 31.846 31.700 -0.019 0.000 0.978 104 T N 0.392 114.967 114.554 0.036 0.000 2.868 104 T HA 0.221 4.571 4.350 -0.000 0.000 0.292 104 T C 1.206 175.911 174.700 0.009 0.000 1.028 104 T CA -0.310 61.830 62.100 0.066 0.000 1.059 104 T CB -0.023 68.873 68.868 0.047 0.000 0.991 104 T HN 0.174 nan 8.240 nan 0.000 0.531 105 L N 2.010 123.202 121.223 -0.052 0.000 2.187 105 L HA 0.289 4.629 4.340 -0.000 0.000 0.197 105 L C 1.242 177.689 176.870 -0.705 0.000 1.090 105 L CA 0.809 55.374 54.840 -0.460 0.000 0.781 105 L CB -0.164 41.559 42.059 -0.560 0.000 0.956 105 L HN 0.628 nan 8.230 nan 0.000 0.463 106 F N -0.021 119.919 119.950 -0.017 0.000 2.683 106 F HA 0.490 5.017 4.527 -0.000 0.000 0.306 106 F C 0.994 176.832 175.800 0.063 0.000 1.102 106 F CA -0.063 57.940 58.000 0.005 0.000 1.244 106 F CB 0.404 39.389 39.000 -0.024 0.000 1.029 106 F HN 0.158 nan 8.300 nan 0.000 0.545 107 G N 0.804 109.701 108.800 0.162 0.000 2.781 107 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.683 107 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.683 107 G C -0.054 174.946 174.900 0.166 0.000 1.390 107 G CA -0.506 44.676 45.100 0.137 0.000 0.850 107 G HN 0.501 nan 8.290 nan 0.000 0.557 108 N N -0.276 118.502 118.700 0.131 0.000 2.740 108 N HA -0.156 4.584 4.740 -0.000 0.000 0.248 108 N C -0.147 175.464 175.510 0.169 0.000 1.062 108 N CA 1.160 54.290 53.050 0.133 0.000 0.704 108 N CB -0.694 37.869 38.487 0.125 0.000 0.968 108 N HN 0.798 nan 8.380 nan 0.000 0.547 109 D N 0.618 121.121 120.400 0.171 0.000 2.414 109 D HA 0.143 4.783 4.640 -0.000 0.000 0.242 109 D C 0.674 177.099 176.300 0.208 0.000 1.129 109 D CA 0.342 54.471 54.000 0.217 0.000 0.885 109 D CB 0.933 41.844 40.800 0.186 0.000 1.198 109 D HN 0.238 nan 8.370 nan 0.000 0.437 110 I N 2.621 123.364 120.570 0.289 0.000 2.297 110 I HA 0.004 4.173 4.170 -0.000 0.000 0.291 110 I C 1.497 177.768 176.117 0.257 0.000 1.033 110 I CA -0.312 61.139 61.300 0.252 0.000 1.253 110 I CB 0.817 38.999 38.000 0.304 0.000 1.396 110 I HN 0.248 nan 8.210 nan 0.000 0.476 111 N N 3.037 121.830 118.700 0.156 0.000 2.270 111 N HA -0.093 4.646 4.740 -0.000 0.000 0.181 111 N C 0.368 175.971 175.510 0.155 0.000 1.016 111 N CA 0.855 53.971 53.050 0.109 0.000 0.870 111 N CB 0.363 38.876 38.487 0.044 0.000 0.979 111 N HN 0.508 nan 8.380 nan 0.000 0.431 112 S N -0.144 115.633 115.700 0.127 0.000 2.605 112 S HA 0.562 5.032 4.470 -0.000 0.000 0.308 112 S C -0.944 173.646 174.600 -0.016 0.000 1.113 112 S CA -0.775 57.472 58.200 0.078 0.000 1.049 112 S CB 0.516 63.736 63.200 0.032 0.000 1.001 112 S HN 0.130 nan 8.310 nan 0.000 0.480 113 V N 2.936 122.780 119.914 -0.116 0.000 3.126 113 V HA 0.847 4.967 4.120 -0.000 0.000 0.314 113 V C -1.128 174.826 176.094 -0.233 0.000 1.138 113 V CA -1.105 61.008 62.300 -0.312 0.000 1.034 113 V CB 1.745 33.127 31.823 -0.735 0.000 1.075 113 V HN 0.709 nan 8.190 nan 0.000 0.442 114 L N 2.513 123.604 121.223 -0.220 0.000 2.333 114 L HA 0.689 5.029 4.340 -0.000 0.000 0.280 114 L C -0.941 175.876 176.870 -0.089 0.000 1.004 114 L CA -0.496 54.272 54.840 -0.121 0.000 0.820 114 L CB 1.309 43.315 42.059 -0.089 0.000 1.247 114 L HN 0.803 nan 8.230 nan 0.000 0.416 115 F N 4.417 124.243 119.950 -0.208 0.000 2.415 115 F HA 0.698 5.225 4.527 -0.000 0.000 0.348 115 F C -0.494 175.283 175.800 -0.039 0.000 1.119 115 F CA 0.004 57.917 58.000 -0.145 0.000 1.069 115 F CB 1.211 40.059 39.000 -0.253 0.000 1.124 115 F HN 0.520 nan 8.300 nan 0.000 0.472 116 T N 4.270 118.460 114.554 -0.607 0.000 2.848 116 T HA 0.438 4.787 4.350 -0.000 0.000 0.285 116 T C -0.381 173.941 174.700 -0.630 0.000 0.995 116 T CA -0.686 61.116 62.100 -0.498 0.000 0.970 116 T CB 1.379 70.095 68.868 -0.254 0.000 0.976 116 T HN 0.731 nan 8.240 nan 0.000 0.441 117 T N 1.464 115.724 114.554 -0.488 0.000 2.925 117 T HA 0.684 5.034 4.350 -0.000 0.000 0.285 117 T C -0.770 173.808 174.700 -0.203 0.000 1.021 117 T CA -0.922 60.977 62.100 -0.335 0.000 1.042 117 T CB 1.430 70.291 68.868 -0.011 0.000 1.037 117 T HN 0.507 nan 8.240 nan 0.000 0.481 118 Q N 1.837 121.453 119.800 -0.308 0.000 2.290 118 Q HA 0.343 4.683 4.340 -0.000 0.000 0.269 118 Q C -1.020 174.865 176.000 -0.192 0.000 1.016 118 Q CA -0.925 54.760 55.803 -0.197 0.000 0.754 118 Q CB 1.623 30.203 28.738 -0.262 0.000 1.247 118 Q HN 0.588 nan 8.270 nan 0.000 0.451 119 N N 3.159 121.890 118.700 0.052 0.000 2.663 119 N HA 0.027 4.767 4.740 -0.000 0.000 0.250 119 N C 0.367 175.853 175.510 -0.039 0.000 1.129 119 N CA 0.265 53.449 53.050 0.224 0.000 0.995 119 N CB 0.806 39.498 38.487 0.342 0.000 1.324 119 N HN 0.596 nan 8.380 nan 0.000 0.512 120 Q N -0.052 119.571 119.800 -0.294 0.000 2.062 120 Q HA -0.027 4.312 4.340 -0.000 0.000 0.196 120 Q C 0.666 176.574 176.000 -0.153 0.000 0.967 120 Q CA 0.960 56.325 55.803 -0.730 0.000 0.832 120 Q CB 0.236 28.553 28.738 -0.702 0.000 0.899 120 Q HN 0.631 nan 8.270 nan 0.000 0.442 121 T N -4.175 110.407 114.554 0.045 0.000 2.841 121 T HA 0.276 4.626 4.350 -0.000 0.000 0.296 121 T C -2.546 172.263 174.700 0.183 0.000 1.166 121 T CA -1.881 60.289 62.100 0.116 0.000 1.007 121 T CB 1.663 70.586 68.868 0.091 0.000 1.253 121 T HN -0.300 nan 8.240 nan 0.000 0.511 122 P HA 0.002 nan 4.420 nan 0.000 0.221 122 P C 0.943 178.333 177.300 0.150 0.000 1.145 122 P CA 1.008 64.123 63.100 0.026 0.000 0.795 122 P CB 0.026 31.725 31.700 -0.001 0.000 0.775 123 N N -1.718 117.115 118.700 0.222 0.000 2.282 123 N HA 0.038 4.778 4.740 -0.000 0.000 0.185 123 N C 0.676 176.361 175.510 0.291 0.000 1.099 123 N CA 0.016 53.215 53.050 0.250 0.000 0.878 123 N CB 0.762 39.331 38.487 0.138 0.000 0.993 123 N HN 0.098 nan 8.380 nan 0.000 0.481 124 R N 0.748 121.421 120.500 0.288 0.000 2.439 124 R HA 0.258 4.598 4.340 -0.000 0.000 0.310 124 R C -1.777 174.536 176.300 0.021 0.000 0.955 124 R CA -0.454 55.728 56.100 0.136 0.000 0.853 124 R CB 0.865 31.215 30.300 0.083 0.000 1.171 124 R HN -0.167 nan 8.270 nan 0.000 0.449 125 F N 3.983 123.706 119.950 -0.379 0.000 2.495 125 F HA 0.558 5.084 4.527 -0.000 0.000 0.327 125 F C -0.977 174.642 175.800 -0.302 0.000 1.103 125 F CA -0.858 56.793 58.000 -0.581 0.000 0.949 125 F CB 1.325 39.669 39.000 -1.093 0.000 1.142 125 F HN 0.431 nan 8.300 nan 0.000 0.457 126 R N 6.191 125.957 120.500 -1.224 0.000 2.686 126 R HA 0.607 4.947 4.340 -0.000 0.000 0.286 126 R C -2.079 173.501 176.300 -1.201 0.000 0.969 126 R CA -0.664 54.748 56.100 -1.147 0.000 0.898 126 R CB 1.754 31.490 30.300 -0.940 0.000 1.183 126 R HN 0.731 nan 8.270 nan 0.000 0.456 127 F N 1.471 120.873 119.950 -0.914 0.000 2.581 127 F HA 0.564 5.091 4.527 -0.000 0.000 0.311 127 F C -1.624 173.973 175.800 -0.339 0.000 1.113 127 F CA -0.954 56.689 58.000 -0.596 0.000 0.935 127 F CB 1.431 40.257 39.000 -0.289 0.000 1.232 127 F HN 0.439 nan 8.300 nan 0.000 0.445 128 K N 3.852 124.109 120.400 -0.237 0.000 2.426 128 K HA 0.809 5.129 4.320 -0.000 0.000 0.251 128 K C -1.832 174.768 176.600 -0.000 0.000 0.941 128 K CA -0.879 55.297 56.287 -0.186 0.000 0.808 128 K CB 2.963 35.309 32.500 -0.256 0.000 1.265 128 K HN 0.830 nan 8.250 nan 0.000 0.432 129 I N 2.622 123.241 120.570 0.082 0.000 2.382 129 I HA 0.258 4.427 4.170 -0.000 0.000 0.286 129 I C -0.413 175.698 176.117 -0.010 0.000 1.002 129 I CA -0.491 60.837 61.300 0.046 0.000 1.135 129 I CB 1.969 40.039 38.000 0.117 0.000 1.288 129 I HN 0.902 nan 8.210 nan 0.000 0.448 130 T N 0.240 114.718 114.554 -0.128 0.000 2.888 130 T HA 0.394 4.744 4.350 -0.000 0.000 0.288 130 T C -0.789 173.816 174.700 -0.159 0.000 1.063 130 T CA -0.833 61.227 62.100 -0.066 0.000 1.010 130 T CB 2.390 71.229 68.868 -0.049 0.000 1.214 130 T HN 0.327 nan 8.240 nan 0.000 0.533 131 D N 1.843 122.220 120.400 -0.037 0.000 2.428 131 D HA 0.331 4.971 4.640 -0.000 0.000 0.221 131 D C -1.223 175.064 176.300 -0.020 0.000 1.123 131 D CA -2.497 51.485 54.000 -0.029 0.000 0.869 131 D CB 1.475 42.318 40.800 0.072 0.000 1.032 131 D HN 0.235 nan 8.370 nan 0.000 0.506 132 P HA -0.091 nan 4.420 nan 0.000 0.219 132 P C 0.620 177.911 177.300 -0.014 0.000 1.150 132 P CA 0.777 63.857 63.100 -0.032 0.000 0.814 132 P CB 0.377 32.054 31.700 -0.038 0.000 0.787 133 N N -0.625 118.072 118.700 -0.005 0.000 2.205 133 N HA 0.025 4.765 4.740 -0.000 0.000 0.201 133 N C -0.377 175.141 175.510 0.013 0.000 1.128 133 N CA -0.146 52.906 53.050 0.003 0.000 0.867 133 N CB -0.616 37.874 38.487 0.005 0.000 0.996 133 N HN 0.078 nan 8.380 nan 0.000 0.503 134 N N 0.272 118.984 118.700 0.022 0.000 2.296 134 N HA 0.222 4.962 4.740 -0.000 0.000 0.294 134 N C -1.172 174.360 175.510 0.038 0.000 1.033 134 N CA -0.764 52.306 53.050 0.033 0.000 0.839 134 N CB 2.030 40.545 38.487 0.047 0.000 1.395 134 N HN 0.029 nan 8.380 nan 0.000 0.479 135 R N 1.948 122.469 120.500 0.036 0.000 2.404 135 R HA 0.184 4.524 4.340 -0.000 0.000 0.315 135 R C -0.660 175.678 176.300 0.063 0.000 1.032 135 R CA 0.259 56.381 56.100 0.037 0.000 0.992 135 R CB 0.090 30.409 30.300 0.031 0.000 0.959 135 R HN 0.506 nan 8.270 nan 0.000 0.428 136 R N 3.803 124.344 120.500 0.068 0.000 2.604 136 R HA 0.153 4.493 4.340 -0.000 0.000 0.287 136 R C -0.819 175.542 176.300 0.101 0.000 0.970 136 R CA -1.158 55.006 56.100 0.108 0.000 0.946 136 R CB 1.153 31.531 30.300 0.130 0.000 1.127 136 R HN 0.628 nan 8.270 nan 0.000 0.473 137 Y N 2.313 122.637 120.300 0.039 0.000 2.805 137 Y HA -0.114 4.435 4.550 -0.000 0.000 0.331 137 Y C -0.431 175.470 175.900 0.002 0.000 1.241 137 Y CA 0.859 58.975 58.100 0.026 0.000 1.546 137 Y CB 0.432 38.924 38.460 0.053 0.000 1.248 137 Y HN 0.443 nan 8.280 nan 0.000 0.559 138 E N 4.924 124.696 120.200 -0.712 0.000 2.212 138 E HA 0.323 4.673 4.350 -0.000 0.000 0.268 138 E C -1.025 174.956 176.600 -1.032 0.000 0.902 138 E CA -1.264 54.731 56.400 -0.675 0.000 0.779 138 E CB 2.179 31.680 29.700 -0.333 0.000 1.172 138 E HN 0.445 nan 8.360 nan 0.000 0.409 139 V N 4.495 123.994 119.914 -0.691 0.000 2.509 139 V HA -0.007 4.112 4.120 -0.000 0.000 0.297 139 V C -1.714 174.150 176.094 -0.383 0.000 1.014 139 V CA -0.564 61.465 62.300 -0.451 0.000 1.127 139 V CB -0.368 31.381 31.823 -0.124 0.000 0.925 139 V HN 0.575 nan 8.190 nan 0.000 0.480 140 P HA 0.103 nan 4.420 nan 0.000 0.237 140 P C 0.002 177.017 177.300 -0.474 0.000 1.788 140 P CA -0.145 62.617 63.100 -0.564 0.000 1.061 140 P CB -0.099 31.015 31.700 -0.976 0.000 1.967 141 H N 2.819 121.743 119.070 -0.243 0.000 2.815 141 H HA 0.070 4.626 4.556 -0.000 0.000 0.350 141 H C 0.970 176.324 175.328 0.043 0.000 1.080 141 H CA 0.467 56.489 56.048 -0.043 0.000 1.433 141 H CB 1.106 30.892 29.762 0.042 0.000 1.432 141 H HN 0.260 nan 8.280 nan 0.000 0.592 142 Q N 3.949 123.760 119.800 0.019 0.000 2.392 142 Q HA -0.092 4.248 4.340 -0.000 0.000 0.203 142 Q C 0.766 176.918 176.000 0.253 0.000 0.917 142 Q CA 0.496 56.378 55.803 0.132 0.000 0.939 142 Q CB 0.329 29.146 28.738 0.132 0.000 1.063 142 Q HN 0.715 nan 8.270 nan 0.000 0.516 143 Y N -0.039 120.435 120.300 0.289 0.000 2.594 143 Y HA 0.136 4.686 4.550 -0.000 0.000 0.283 143 Y C 0.641 176.626 175.900 0.141 0.000 1.140 143 Y CA -0.110 58.117 58.100 0.212 0.000 1.261 143 Y CB 0.583 39.164 38.460 0.202 0.000 1.358 143 Y HN -0.319 nan 8.280 nan 0.000 0.513 144 V N 3.981 124.070 119.914 0.292 0.000 2.539 144 V HA -0.078 4.042 4.120 -0.000 0.000 0.300 144 V C -0.079 175.986 176.094 -0.048 0.000 1.019 144 V CA 0.363 62.668 62.300 0.008 0.000 1.160 144 V CB 0.012 31.779 31.823 -0.094 0.000 0.901 144 V HN 0.166 nan 8.190 nan 0.000 0.481 145 K N 4.243 124.577 120.400 -0.109 0.000 2.156 145 K HA 0.378 4.697 4.320 -0.000 0.000 0.271 145 K C -0.113 176.487 176.600 0.000 0.000 0.995 145 K CA -0.542 55.692 56.287 -0.089 0.000 0.890 145 K CB 1.066 33.482 32.500 -0.141 0.000 1.073 145 K HN 0.689 nan 8.250 nan 0.000 0.454 146 E N 2.569 122.768 120.200 -0.000 0.000 2.392 146 E HA 0.116 4.465 4.350 -0.000 0.000 0.264 146 E C -1.436 175.211 176.600 0.080 0.000 1.024 146 E CA 0.103 56.525 56.400 0.036 0.000 0.903 146 E CB 0.277 29.974 29.700 -0.004 0.000 0.963 146 E HN 0.436 nan 8.360 nan 0.000 0.432 147 F N 3.180 123.105 119.950 -0.042 0.000 2.444 147 F HA 0.360 4.887 4.527 -0.000 0.000 0.342 147 F C 0.472 176.250 175.800 -0.036 0.000 1.121 147 F CA -0.209 57.771 58.000 -0.034 0.000 0.997 147 F CB 1.617 40.605 39.000 -0.021 0.000 1.130 147 F HN 0.456 nan 8.300 nan 0.000 0.454 148 T N 2.823 116.964 114.554 -0.688 0.000 2.954 148 T HA 0.535 4.885 4.350 -0.000 0.000 0.252 148 T C 0.359 174.669 174.700 -0.650 0.000 0.983 148 T CA 0.199 62.010 62.100 -0.482 0.000 0.941 148 T CB 0.530 69.239 68.868 -0.266 0.000 1.141 148 T HN 0.886 nan 8.240 nan 0.000 0.500 149 G N 2.006 110.136 108.800 -1.117 0.000 2.317 149 G HA2 0.465 4.425 3.960 -0.000 0.000 0.293 149 G HA3 0.465 4.425 3.960 -0.000 0.000 0.293 149 G C -3.130 171.492 174.900 -0.464 0.000 1.287 149 G CA -0.914 43.794 45.100 -0.653 0.000 0.850 149 G HN 0.036 nan 8.290 nan 0.000 0.515 150 P HA 0.442 nan 4.420 nan 0.000 0.280 150 P C -0.039 177.308 177.300 0.080 0.000 1.272 150 P CA -0.171 62.903 63.100 -0.043 0.000 0.819 150 P CB 0.561 32.255 31.700 -0.011 0.000 1.122 151 T N 0.468 115.064 114.554 0.070 0.000 2.800 151 T HA 0.068 4.418 4.350 -0.000 0.000 0.283 151 T C 0.414 175.180 174.700 0.110 0.000 0.999 151 T CA 0.111 62.275 62.100 0.107 0.000 1.176 151 T CB -0.442 68.465 68.868 0.064 0.000 0.973 151 T HN 0.100 nan 8.240 nan 0.000 0.519 152 V N 5.519 125.517 119.914 0.140 0.000 2.408 152 V HA 0.243 4.363 4.120 -0.000 0.000 0.267 152 V C 0.788 176.908 176.094 0.043 0.000 1.047 152 V CA -0.614 61.744 62.300 0.097 0.000 0.937 152 V CB 0.683 32.574 31.823 0.113 0.000 0.999 152 V HN 1.071 nan 8.190 nan 0.000 0.472 153 S N 3.073 118.786 115.700 0.022 0.000 2.616 153 S HA 0.444 4.914 4.470 -0.000 0.000 0.277 153 S C -0.222 174.359 174.600 -0.032 0.000 1.234 153 S CA -0.655 57.542 58.200 -0.004 0.000 1.028 153 S CB 1.060 64.261 63.200 0.002 0.000 0.988 153 S HN 0.756 nan 8.310 nan 0.000 0.522 154 D N 0.850 121.215 120.400 -0.057 0.000 2.828 154 D HA -0.115 4.524 4.640 -0.000 0.000 0.241 154 D C 0.292 176.507 176.300 -0.142 0.000 1.142 154 D CA 1.340 55.290 54.000 -0.084 0.000 0.755 154 D CB -1.752 39.018 40.800 -0.050 0.000 1.014 154 D HN 0.940 nan 8.370 nan 0.000 0.420 155 T N -2.562 111.840 114.554 -0.253 0.000 2.899 155 T HA 0.427 4.777 4.350 -0.000 0.000 0.295 155 T C 1.861 176.304 174.700 -0.429 0.000 1.033 155 T CA -0.817 60.982 62.100 -0.502 0.000 1.084 155 T CB 1.090 69.330 68.868 -1.047 0.000 0.979 155 T HN 0.230 nan 8.240 nan 0.000 0.532 156 L N 0.478 121.474 121.223 -0.380 0.000 2.492 156 L HA 0.187 4.527 4.340 -0.000 0.000 0.223 156 L C 0.213 177.008 176.870 -0.124 0.000 1.132 156 L CA -0.015 54.730 54.840 -0.159 0.000 0.850 156 L CB -0.481 41.570 42.059 -0.013 0.000 0.966 156 L HN 0.742 nan 8.230 nan 0.000 0.454 157 Y N -2.418 117.852 120.300 -0.050 0.000 2.487 157 Y HA 0.685 5.235 4.550 -0.000 0.000 0.337 157 Y C -0.709 175.109 175.900 -0.136 0.000 1.076 157 Y CA -2.183 55.849 58.100 -0.112 0.000 1.115 157 Y CB 0.756 39.122 38.460 -0.157 0.000 1.235 157 Y HN -0.190 nan 8.280 nan 0.000 0.468 158 D N 0.892 121.292 120.400 -0.000 0.000 2.481 158 D HA 0.603 5.242 4.640 -0.000 0.000 0.244 158 D C -1.704 174.535 176.300 -0.102 0.000 1.057 158 D CA -0.557 53.414 54.000 -0.047 0.000 0.848 158 D CB 2.188 42.951 40.800 -0.061 0.000 1.388 158 D HN 0.521 nan 8.370 nan 0.000 0.475 159 V N 4.078 123.920 119.914 -0.120 0.000 2.444 159 V HA 0.409 4.528 4.120 -0.000 0.000 0.294 159 V C -0.192 175.846 176.094 -0.094 0.000 1.022 159 V CA -0.807 61.374 62.300 -0.199 0.000 0.850 159 V CB 1.548 33.186 31.823 -0.309 0.000 0.992 159 V HN 0.452 nan 8.190 nan 0.000 0.426 160 K N 3.754 124.088 120.400 -0.110 0.000 2.244 160 K HA 0.699 5.018 4.320 -0.000 0.000 0.260 160 K C -1.226 175.304 176.600 -0.116 0.000 0.951 160 K CA -0.727 55.508 56.287 -0.087 0.000 0.826 160 K CB 2.599 35.042 32.500 -0.094 0.000 1.108 160 K HN 0.417 nan 8.250 nan 0.000 0.433 161 V N 2.514 122.379 119.914 -0.082 0.000 2.347 161 V HA 0.301 4.420 4.120 -0.000 0.000 0.280 161 V C 0.150 176.159 176.094 -0.141 0.000 1.021 161 V CA -0.909 61.305 62.300 -0.144 0.000 0.847 161 V CB 1.117 32.922 31.823 -0.030 0.000 0.990 161 V HN 0.895 nan 8.190 nan 0.000 0.444 162 A N 3.901 126.583 122.820 -0.229 0.000 2.371 162 A HA 0.489 4.809 4.320 -0.000 0.000 0.257 162 A C 0.722 178.244 177.584 -0.104 0.000 1.089 162 A CA -0.143 51.797 52.037 -0.162 0.000 0.794 162 A CB 0.668 19.552 19.000 -0.193 0.000 1.029 162 A HN 0.892 nan 8.150 nan 0.000 0.488 163 Q N 0.135 119.913 119.800 -0.036 0.000 2.442 163 Q HA 0.071 4.410 4.340 -0.000 0.000 0.228 163 Q C -0.633 175.389 176.000 0.036 0.000 0.902 163 Q CA 0.668 56.485 55.803 0.022 0.000 0.933 163 Q CB 0.296 29.047 28.738 0.022 0.000 1.071 163 Q HN 0.870 nan 8.270 nan 0.000 0.562 164 N N 1.882 120.587 118.700 0.008 0.000 2.648 164 N HA 0.240 4.979 4.740 -0.000 0.000 0.261 164 N C -2.630 172.880 175.510 -0.001 0.000 1.138 164 N CA -0.903 52.156 53.050 0.014 0.000 0.804 164 N CB 1.408 39.900 38.487 0.010 0.000 1.237 164 N HN 0.060 nan 8.380 nan 0.000 0.532 165 P HA 0.277 nan 4.420 nan 0.000 0.281 165 P C -0.592 176.725 177.300 0.028 0.000 1.281 165 P CA -0.643 62.480 63.100 0.040 0.000 0.811 165 P CB 0.724 32.453 31.700 0.049 0.000 1.154 166 F N 1.417 121.339 119.950 -0.046 0.000 2.578 166 F HA 0.312 4.839 4.527 -0.000 0.000 0.376 166 F C 0.110 175.823 175.800 -0.146 0.000 1.085 166 F CA 0.818 58.748 58.000 -0.117 0.000 1.260 166 F CB 0.289 39.217 39.000 -0.120 0.000 1.095 166 F HN 0.498 nan 8.300 nan 0.000 0.573 167 S N 6.607 121.559 115.700 -1.247 0.000 2.567 167 S HA 0.564 5.034 4.470 -0.000 0.000 0.270 167 S C -1.351 172.581 174.600 -1.114 0.000 1.152 167 S CA -1.102 56.352 58.200 -1.244 0.000 0.835 167 S CB 1.213 64.075 63.200 -0.562 0.000 1.115 167 S HN 0.975 nan 8.310 nan 0.000 0.459 168 I N 0.829 120.892 120.570 -0.845 0.000 2.530 168 I HA 0.619 4.789 4.170 -0.000 0.000 0.297 168 I C -0.990 174.938 176.117 -0.315 0.000 1.011 168 I CA -0.607 60.376 61.300 -0.528 0.000 1.107 168 I CB 1.921 39.625 38.000 -0.494 0.000 1.285 168 I HN 0.917 nan 8.210 nan 0.000 0.436 169 Q N 6.097 125.760 119.800 -0.228 0.000 2.309 169 Q HA 0.502 4.842 4.340 -0.000 0.000 0.270 169 Q C -1.977 173.930 176.000 -0.154 0.000 1.023 169 Q CA -0.737 54.967 55.803 -0.165 0.000 0.758 169 Q CB 2.010 30.651 28.738 -0.162 0.000 1.247 169 Q HN 0.582 nan 8.270 nan 0.000 0.455 170 V N 6.053 125.899 119.914 -0.112 0.000 2.370 170 V HA 0.471 4.591 4.120 -0.000 0.000 0.279 170 V C -0.168 175.827 176.094 -0.167 0.000 1.029 170 V CA -0.398 61.782 62.300 -0.200 0.000 0.870 170 V CB 1.037 32.727 31.823 -0.223 0.000 0.984 170 V HN 0.703 nan 8.190 nan 0.000 0.451 171 I N 4.333 124.818 120.570 -0.143 0.000 2.509 171 I HA 0.512 4.682 4.170 -0.000 0.000 0.293 171 I C 0.291 176.366 176.117 -0.071 0.000 1.020 171 I CA -0.677 60.558 61.300 -0.108 0.000 1.088 171 I CB 1.883 39.831 38.000 -0.087 0.000 1.267 171 I HN 0.503 nan 8.210 nan 0.000 0.430 172 R N 5.590 126.050 120.500 -0.067 0.000 2.296 172 R HA 0.137 4.477 4.340 -0.000 0.000 0.323 172 R C 1.119 177.402 176.300 -0.029 0.000 1.067 172 R CA -0.226 55.856 56.100 -0.030 0.000 0.946 172 R CB 0.668 30.956 30.300 -0.020 0.000 0.991 172 R HN 0.687 nan 8.270 nan 0.000 0.448 173 K N 2.021 122.402 120.400 -0.032 0.000 2.296 173 K HA -0.080 4.239 4.320 -0.000 0.000 0.200 173 K C 1.376 177.960 176.600 -0.026 0.000 1.048 173 K CA 1.297 57.561 56.287 -0.038 0.000 0.966 173 K CB 0.162 32.628 32.500 -0.056 0.000 0.754 173 K HN 0.569 nan 8.250 nan 0.000 0.466 174 S N 2.462 118.152 115.700 -0.018 0.000 2.383 174 S HA -0.156 4.313 4.470 -0.000 0.000 0.227 174 S C 1.543 176.142 174.600 -0.001 0.000 1.026 174 S CA 1.218 59.413 58.200 -0.008 0.000 0.981 174 S CB -0.472 62.728 63.200 -0.000 0.000 0.818 174 S HN 0.605 nan 8.310 nan 0.000 0.472 175 N N 0.101 118.802 118.700 0.001 0.000 2.159 175 N HA 0.263 5.002 4.740 -0.000 0.000 0.217 175 N C 1.062 176.571 175.510 -0.001 0.000 1.223 175 N CA 0.407 53.461 53.050 0.006 0.000 0.896 175 N CB -0.199 38.299 38.487 0.019 0.000 1.064 175 N HN 0.608 nan 8.380 nan 0.000 0.518 176 G N 0.792 109.584 108.800 -0.013 0.000 2.153 176 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.252 176 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.252 176 G C -0.203 174.682 174.900 -0.025 0.000 0.994 176 G CA 0.513 45.600 45.100 -0.021 0.000 0.698 176 G HN 0.656 nan 8.290 nan 0.000 0.521 177 K N 1.038 121.425 120.400 -0.023 0.000 2.297 177 K HA 0.415 4.735 4.320 -0.000 0.000 0.286 177 K C 0.181 176.744 176.600 -0.062 0.000 1.053 177 K CA -0.165 56.107 56.287 -0.025 0.000 0.940 177 K CB 0.282 32.782 32.500 -0.000 0.000 1.019 177 K HN 0.045 nan 8.250 nan 0.000 0.475 178 T N 6.092 120.607 114.554 -0.064 0.000 2.738 178 T HA 0.123 4.472 4.350 -0.000 0.000 0.293 178 T C 1.322 175.941 174.700 -0.134 0.000 0.913 178 T CA -0.191 61.851 62.100 -0.098 0.000 1.103 178 T CB 0.318 69.136 68.868 -0.083 0.000 0.880 178 T HN 0.539 nan 8.240 nan 0.000 0.526 179 L N 2.194 123.267 121.223 -0.250 0.000 2.253 179 L HA 0.389 4.729 4.340 -0.000 0.000 0.205 179 L C 0.439 177.126 176.870 -0.305 0.000 1.078 179 L CA 0.580 55.087 54.840 -0.555 0.000 0.805 179 L CB 0.136 41.545 42.059 -1.083 0.000 0.963 179 L HN 0.495 nan 8.230 nan 0.000 0.459 180 F N 0.905 120.670 119.950 -0.307 0.000 2.671 180 F HA 0.372 4.899 4.527 -0.000 0.000 0.332 180 F C -1.363 174.349 175.800 -0.146 0.000 1.189 180 F CA -1.112 56.805 58.000 -0.138 0.000 0.988 180 F CB 1.155 40.094 39.000 -0.101 0.000 1.258 180 F HN -0.217 nan 8.300 nan 0.000 0.471 181 D N 3.500 123.649 120.400 -0.420 0.000 2.473 181 D HA 0.186 4.826 4.640 -0.000 0.000 0.253 181 D C 0.516 176.566 176.300 -0.417 0.000 1.233 181 D CA -0.194 53.608 54.000 -0.331 0.000 0.908 181 D CB 1.602 42.278 40.800 -0.208 0.000 1.170 181 D HN 0.518 nan 8.370 nan 0.000 0.558 182 T N -0.237 114.064 114.554 -0.421 0.000 3.129 182 T HA -0.010 4.340 4.350 -0.000 0.000 0.251 182 T C 1.515 176.053 174.700 -0.269 0.000 1.117 182 T CA 0.608 62.487 62.100 -0.369 0.000 1.034 182 T CB -0.210 68.450 68.868 -0.346 0.000 0.968 182 T HN 0.200 nan 8.240 nan 0.000 0.526 183 S N 2.424 117.976 115.700 -0.247 0.000 2.481 183 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 183 S C 2.042 176.569 174.600 -0.122 0.000 0.996 183 S CA 0.402 58.487 58.200 -0.191 0.000 0.942 183 S CB -0.774 62.322 63.200 -0.172 0.000 0.768 183 S HN 0.683 nan 8.310 nan 0.000 0.520 184 I N 0.239 120.740 120.570 -0.115 0.000 3.176 184 I HA 0.327 4.497 4.170 -0.000 0.000 0.275 184 I C 0.716 176.818 176.117 -0.027 0.000 1.298 184 I CA 0.487 61.749 61.300 -0.063 0.000 1.445 184 I CB -1.773 36.186 38.000 -0.068 0.000 1.075 184 I HN 0.325 nan 8.210 nan 0.000 0.482 185 G N 1.669 110.437 108.800 -0.054 0.000 2.695 185 G HA2 0.633 4.593 3.960 -0.000 0.000 0.290 185 G HA3 0.633 4.593 3.960 -0.000 0.000 0.290 185 G C -3.234 171.612 174.900 -0.091 0.000 1.410 185 G CA -0.854 44.215 45.100 -0.052 0.000 0.844 185 G HN 0.036 nan 8.290 nan 0.000 0.478 186 P HA 0.387 nan 4.420 nan 0.000 0.276 186 P C -0.753 176.529 177.300 -0.029 0.000 1.244 186 P CA -0.603 62.425 63.100 -0.121 0.000 0.801 186 P CB 1.846 33.358 31.700 -0.312 0.000 1.006 187 L N 2.733 124.044 121.223 0.146 0.000 2.290 187 L HA 0.259 4.598 4.340 -0.000 0.000 0.284 187 L C -0.753 176.294 176.870 0.295 0.000 1.078 187 L CA -0.220 54.747 54.840 0.211 0.000 0.815 187 L CB 0.448 42.659 42.059 0.253 0.000 1.162 187 L HN 0.055 nan 8.230 nan 0.000 0.435 188 V N 6.389 126.437 119.914 0.223 0.000 2.459 188 V HA 0.363 4.483 4.120 -0.000 0.000 0.295 188 V C -1.052 175.221 176.094 0.299 0.000 1.029 188 V CA -0.539 61.957 62.300 0.326 0.000 0.874 188 V CB 1.241 33.246 31.823 0.304 0.000 0.985 188 V HN 0.690 nan 8.190 nan 0.000 0.438 189 Y N 4.099 124.554 120.300 0.259 0.000 2.475 189 Y HA 0.544 5.094 4.550 -0.000 0.000 0.343 189 Y C 0.154 176.187 175.900 0.222 0.000 1.068 189 Y CA -0.214 57.974 58.100 0.147 0.000 1.307 189 Y CB 1.524 39.958 38.460 -0.043 0.000 1.097 189 Y HN 0.787 nan 8.280 nan 0.000 0.530 190 S N 1.111 116.944 115.700 0.220 0.000 2.667 190 S HA 0.290 4.760 4.470 -0.000 0.000 0.292 190 S C 0.343 175.033 174.600 0.150 0.000 1.126 190 S CA -0.615 57.736 58.200 0.253 0.000 0.881 190 S CB 1.744 65.129 63.200 0.309 0.000 1.132 190 S HN 0.556 nan 8.310 nan 0.000 0.492 191 D N 0.126 120.626 120.400 0.165 0.000 2.149 191 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 191 D C 1.154 177.520 176.300 0.110 0.000 0.990 191 D CA 1.737 55.810 54.000 0.122 0.000 0.839 191 D CB 0.091 40.956 40.800 0.108 0.000 0.948 191 D HN 0.654 nan 8.370 nan 0.000 0.460 192 Q N -1.839 118.057 119.800 0.160 0.000 2.084 192 Q HA 0.138 4.477 4.340 -0.000 0.000 0.230 192 Q C -1.173 174.987 176.000 0.267 0.000 0.806 192 Q CA -0.310 55.614 55.803 0.202 0.000 1.083 192 Q CB 1.480 30.331 28.738 0.188 0.000 1.208 192 Q HN 0.254 nan 8.270 nan 0.000 0.462 193 Y N 0.605 120.945 120.300 0.067 0.000 2.307 193 Y HA 0.370 4.920 4.550 -0.000 0.000 0.323 193 Y C -2.108 173.782 175.900 -0.016 0.000 1.100 193 Y CA -1.113 57.000 58.100 0.021 0.000 1.140 193 Y CB 1.036 39.548 38.460 0.088 0.000 1.159 193 Y HN -0.072 nan 8.280 nan 0.000 0.436 194 L N 5.511 126.415 121.223 -0.532 0.000 2.346 194 L HA 0.620 4.960 4.340 -0.000 0.000 0.276 194 L C -0.745 175.768 176.870 -0.595 0.000 1.006 194 L CA -0.635 53.926 54.840 -0.465 0.000 0.817 194 L CB 1.997 43.826 42.059 -0.382 0.000 1.272 194 L HN 0.717 nan 8.230 nan 0.000 0.421 195 Q N 3.187 122.801 119.800 -0.311 0.000 2.315 195 Q HA 0.746 5.085 4.340 -0.000 0.000 0.273 195 Q C -1.937 174.086 176.000 0.038 0.000 1.053 195 Q CA -0.507 55.195 55.803 -0.169 0.000 0.817 195 Q CB 3.051 31.704 28.738 -0.141 0.000 1.326 195 Q HN 0.690 nan 8.270 nan 0.000 0.423 196 I N 1.299 121.950 120.570 0.135 0.000 2.775 196 I HA 0.463 4.633 4.170 -0.000 0.000 0.295 196 I C -1.544 174.693 176.117 0.200 0.000 1.287 196 I CA -0.216 61.179 61.300 0.159 0.000 1.029 196 I CB 2.548 40.678 38.000 0.217 0.000 1.282 196 I HN 0.661 nan 8.210 nan 0.000 0.426 197 S N 4.276 120.025 115.700 0.081 0.000 2.638 197 S HA 0.968 5.437 4.470 -0.000 0.000 0.302 197 S C -1.058 173.470 174.600 -0.119 0.000 1.096 197 S CA -0.617 57.614 58.200 0.052 0.000 0.953 197 S CB 1.941 65.153 63.200 0.019 0.000 1.107 197 S HN 0.789 nan 8.310 nan 0.000 0.503 198 A N 1.626 124.345 122.820 -0.168 0.000 2.437 198 A HA 0.660 4.980 4.320 -0.000 0.000 0.293 198 A C -0.648 176.785 177.584 -0.252 0.000 1.038 198 A CA -0.729 51.045 52.037 -0.438 0.000 0.708 198 A CB 1.068 19.457 19.000 -1.018 0.000 1.251 198 A HN 0.763 nan 8.150 nan 0.000 0.409 199 R N 2.643 122.998 120.500 -0.241 0.000 2.390 199 R HA 0.617 4.957 4.340 -0.000 0.000 0.291 199 R C -1.011 175.234 176.300 -0.091 0.000 1.070 199 R CA -0.211 55.802 56.100 -0.145 0.000 1.014 199 R CB 0.320 30.542 30.300 -0.130 0.000 1.007 199 R HN 0.696 nan 8.270 nan 0.000 0.466 200 L N 5.599 126.818 121.223 -0.006 0.000 2.313 200 L HA 0.513 4.852 4.340 -0.000 0.000 0.268 200 L C -1.547 175.379 176.870 0.094 0.000 1.010 200 L CA -2.226 52.693 54.840 0.131 0.000 0.814 200 L CB 2.065 44.260 42.059 0.227 0.000 1.304 200 L HN 0.617 nan 8.230 nan 0.000 0.441 201 P HA 0.026 nan 4.420 nan 0.000 0.251 201 P C -0.010 177.367 177.300 0.130 0.000 1.223 201 P CA 0.375 63.544 63.100 0.115 0.000 0.796 201 P CB 0.665 32.439 31.700 0.123 0.000 1.068 202 S N -1.122 114.663 115.700 0.142 0.000 2.588 202 S HA 0.382 4.852 4.470 -0.000 0.000 0.275 202 S C -0.203 174.440 174.600 0.070 0.000 1.130 202 S CA -0.630 57.670 58.200 0.166 0.000 0.855 202 S CB 1.352 64.687 63.200 0.225 0.000 1.116 202 S HN -0.321 nan 8.310 nan 0.000 0.472 203 D N 0.903 121.333 120.400 0.050 0.000 2.325 203 D HA 0.192 4.832 4.640 -0.000 0.000 0.234 203 D C -1.028 174.915 176.300 -0.596 0.000 1.122 203 D CA 0.609 54.441 54.000 -0.280 0.000 0.850 203 D CB -0.269 40.319 40.800 -0.354 0.000 0.921 203 D HN 0.520 nan 8.370 nan 0.000 0.513 204 Y N 0.480 120.691 120.300 -0.148 0.000 2.447 204 Y HA 0.422 4.972 4.550 -0.000 0.000 0.325 204 Y C 0.209 175.803 175.900 -0.509 0.000 0.976 204 Y CA -0.602 57.324 58.100 -0.290 0.000 1.280 204 Y CB 1.062 39.462 38.460 -0.099 0.000 1.104 204 Y HN -0.260 nan 8.280 nan 0.000 0.486 205 I N 3.884 124.021 120.570 -0.722 0.000 2.545 205 I HA 0.452 4.622 4.170 -0.000 0.000 0.292 205 I C -1.325 174.246 176.117 -0.910 0.000 1.040 205 I CA -1.155 59.750 61.300 -0.658 0.000 1.068 205 I CB 2.133 39.731 38.000 -0.671 0.000 1.251 205 I HN 0.404 nan 8.210 nan 0.000 0.424 206 Y N 3.153 123.291 120.300 -0.269 0.000 2.421 206 Y HA 0.773 5.323 4.550 -0.000 0.000 0.339 206 Y C 0.527 176.294 175.900 -0.222 0.000 0.996 206 Y CA -0.571 57.293 58.100 -0.393 0.000 1.046 206 Y CB 2.232 40.266 38.460 -0.711 0.000 1.226 206 Y HN 0.846 nan 8.280 nan 0.000 0.445 207 G N 1.451 110.285 108.800 0.056 0.000 2.280 207 G HA2 0.243 4.202 3.960 -0.000 0.000 0.277 207 G HA3 0.243 4.202 3.960 -0.000 0.000 0.277 207 G C -1.244 173.857 174.900 0.335 0.000 1.288 207 G CA -0.559 44.646 45.100 0.174 0.000 1.075 207 G HN 1.002 nan 8.290 nan 0.000 0.480 208 I N -1.046 119.764 120.570 0.399 0.000 8.673 208 I HA 0.180 4.350 4.170 -0.000 0.000 0.126 208 I C 0.603 176.910 176.117 0.317 0.000 1.860 208 I CA 1.126 62.566 61.300 0.234 0.000 2.038 208 I CB -0.935 37.060 38.000 -0.008 0.000 3.874 208 I HN 2.290 nan 8.210 nan 0.000 0.169 209 G N 4.372 113.195 108.800 0.037 0.000 2.550 209 G HA2 0.558 4.518 3.960 -0.000 0.000 0.293 209 G HA3 0.558 4.518 3.960 -0.000 0.000 0.293 209 G C -1.909 172.953 174.900 -0.064 0.000 1.402 209 G CA -0.641 44.451 45.100 -0.014 0.000 0.784 209 G HN 0.798 nan 8.290 nan 0.000 0.482 210 E N -0.217 120.004 120.200 0.034 0.000 2.134 210 E HA 0.587 4.937 4.350 -0.000 0.000 0.278 210 E C -0.640 175.992 176.600 0.053 0.000 0.959 210 E CA -0.258 56.213 56.400 0.119 0.000 0.783 210 E CB 0.954 30.840 29.700 0.309 0.000 1.095 210 E HN 0.381 nan 8.360 nan 0.000 0.399 211 Q N 1.383 121.145 119.800 -0.064 0.000 2.553 211 Q HA 0.404 4.744 4.340 -0.000 0.000 0.293 211 Q C -1.413 174.464 176.000 -0.205 0.000 1.038 211 Q CA -0.841 54.940 55.803 -0.037 0.000 0.777 211 Q CB 2.158 31.009 28.738 0.188 0.000 1.487 211 Q HN 0.330 nan 8.270 nan 0.000 0.426 212 V N 2.234 122.114 119.914 -0.057 0.000 2.372 212 V HA 0.109 4.228 4.120 -0.000 0.000 0.261 212 V C 0.154 176.175 176.094 -0.122 0.000 1.055 212 V CA 0.212 62.440 62.300 -0.119 0.000 0.930 212 V CB 0.013 31.774 31.823 -0.102 0.000 1.031 212 V HN 0.742 nan 8.190 nan 0.000 0.479 213 H N 3.174 122.121 119.070 -0.206 0.000 2.497 213 H HA 0.086 4.642 4.556 -0.000 0.000 0.282 213 H C 1.515 176.700 175.328 -0.238 0.000 1.003 213 H CA 0.464 56.335 56.048 -0.294 0.000 1.307 213 H CB 0.291 29.754 29.762 -0.497 0.000 1.437 213 H HN 0.680 nan 8.280 nan 0.000 0.544 214 K N -0.950 119.329 120.400 -0.201 0.000 6.796 214 K HA -0.184 4.136 4.320 -0.000 0.000 0.469 214 K C 0.016 176.652 176.600 0.060 0.000 0.368 214 K CA 1.502 57.639 56.287 -0.251 0.000 1.945 214 K CB -0.614 31.644 32.500 -0.403 0.000 0.693 214 K HN 0.081 nan 8.250 nan 0.000 0.773 215 R N 0.326 120.851 120.500 0.042 0.000 2.532 215 R HA 0.251 4.591 4.340 -0.000 0.000 0.295 215 R C 0.645 177.010 176.300 0.107 0.000 0.968 215 R CA -0.363 55.794 56.100 0.095 0.000 0.916 215 R CB 0.708 31.037 30.300 0.048 0.000 1.124 215 R HN 0.081 nan 8.270 nan 0.000 0.463 216 F N 2.032 122.008 119.950 0.043 0.000 2.128 216 F HA 0.013 4.540 4.527 -0.000 0.000 0.295 216 F C 1.159 177.005 175.800 0.076 0.000 1.100 216 F CA 1.234 59.288 58.000 0.090 0.000 1.260 216 F CB 0.180 39.286 39.000 0.177 0.000 1.009 216 F HN 0.202 nan 8.300 nan 0.000 0.476 217 R N 1.327 121.845 120.500 0.030 0.000 2.316 217 R HA -0.002 4.338 4.340 -0.000 0.000 0.314 217 R C -1.046 175.046 176.300 -0.347 0.000 1.069 217 R CA -0.189 55.748 56.100 -0.272 0.000 0.959 217 R CB -0.311 30.010 30.300 0.036 0.000 0.987 217 R HN 0.243 nan 8.270 nan 0.000 0.446 218 H N 2.087 120.844 119.070 -0.521 0.000 3.004 218 H HA -0.067 4.489 4.556 -0.000 0.000 0.316 218 H C -0.106 175.033 175.328 -0.315 0.000 1.014 218 H CA 0.795 56.585 56.048 -0.430 0.000 1.454 218 H CB 0.368 29.810 29.762 -0.533 0.000 1.472 218 H HN 0.447 nan 8.280 nan 0.000 0.571 219 D N 3.430 123.752 120.400 -0.130 0.000 2.450 219 D HA -0.066 4.574 4.640 -0.000 0.000 0.247 219 D C 0.615 176.836 176.300 -0.133 0.000 1.162 219 D CA 0.285 54.225 54.000 -0.099 0.000 0.879 219 D CB 0.766 41.544 40.800 -0.036 0.000 1.163 219 D HN 0.546 nan 8.370 nan 0.000 0.472 220 L N 2.514 123.614 121.223 -0.206 0.000 2.592 220 L HA 0.039 4.379 4.340 -0.000 0.000 0.227 220 L C 1.451 178.096 176.870 -0.375 0.000 1.127 220 L CA -0.002 54.652 54.840 -0.310 0.000 0.884 220 L CB 0.047 41.908 42.059 -0.330 0.000 1.065 220 L HN 0.250 nan 8.230 nan 0.000 0.457 221 S N 0.339 115.904 115.700 -0.225 0.000 4.183 221 S HA 0.066 4.536 4.470 -0.000 0.000 0.195 221 S C -0.541 174.061 174.600 0.003 0.000 1.421 221 S CA -0.456 57.675 58.200 -0.116 0.000 0.920 221 S CB -0.885 62.345 63.200 0.049 0.000 1.525 221 S HN 0.403 nan 8.310 nan 0.000 0.447 222 W N 1.273 122.420 121.300 -0.254 0.000 5.447 222 W HA -0.162 4.498 4.660 -0.000 0.000 0.421 222 W C -0.131 176.117 176.519 -0.451 0.000 1.665 222 W CA -0.098 57.056 57.345 -0.318 0.000 0.941 222 W CB -1.639 27.852 29.460 0.051 0.000 2.889 222 W HN 0.268 nan 8.180 nan 0.000 1.320 223 K N 0.629 120.652 120.400 -0.628 0.000 2.221 223 K HA 0.686 5.006 4.320 -0.000 0.000 0.258 223 K C 0.240 176.421 176.600 -0.698 0.000 0.944 223 K CA -0.709 55.257 56.287 -0.535 0.000 0.823 223 K CB 1.843 34.113 32.500 -0.384 0.000 1.113 223 K HN -0.123 nan 8.250 nan 0.000 0.431 224 T N 1.896 116.110 114.554 -0.566 0.000 2.797 224 T HA 0.436 4.786 4.350 -0.000 0.000 0.279 224 T C -0.754 173.568 174.700 -0.629 0.000 0.991 224 T CA -0.560 61.368 62.100 -0.286 0.000 0.979 224 T CB 0.507 69.402 68.868 0.045 0.000 0.943 224 T HN 0.395 nan 8.240 nan 0.000 0.444 225 W N 5.289 126.617 121.300 0.047 0.000 2.413 225 W HA 0.358 5.017 4.660 -0.000 0.000 0.308 225 W C -2.453 174.101 176.519 0.058 0.000 0.997 225 W CA -2.352 55.024 57.345 0.052 0.000 1.447 225 W CB 1.122 30.605 29.460 0.038 0.000 1.263 225 W HN 0.384 nan 8.180 nan 0.000 0.416 226 P HA 0.349 nan 4.420 nan 0.000 0.278 226 P C -0.464 176.935 177.300 0.164 0.000 1.238 226 P CA 0.022 63.218 63.100 0.161 0.000 0.794 226 P CB 1.812 33.570 31.700 0.098 0.000 0.955 227 I N 3.238 123.877 120.570 0.115 0.000 2.468 227 I HA 0.476 4.646 4.170 -0.000 0.000 0.285 227 I C -0.923 175.318 176.117 0.207 0.000 1.039 227 I CA -0.528 60.789 61.300 0.029 0.000 1.074 227 I CB 1.248 39.110 38.000 -0.229 0.000 1.228 227 I HN 0.210 nan 8.210 nan 0.000 0.436 228 F N 4.589 124.594 119.950 0.092 0.000 2.775 228 F HA 0.151 4.678 4.527 -0.000 0.000 0.339 228 F C 0.054 176.012 175.800 0.262 0.000 1.159 228 F CA -0.794 57.351 58.000 0.241 0.000 1.145 228 F CB 1.247 40.301 39.000 0.090 0.000 1.408 228 F HN 0.516 nan 8.300 nan 0.000 0.597 229 T N 2.058 116.678 114.554 0.110 0.000 2.871 229 T HA 0.450 4.799 4.350 -0.000 0.000 0.296 229 T C -0.230 174.514 174.700 0.072 0.000 0.998 229 T CA -0.068 62.076 62.100 0.072 0.000 1.162 229 T CB 0.965 69.813 68.868 -0.032 0.000 0.947 229 T HN 0.772 nan 8.240 nan 0.000 0.536 230 R N 1.771 122.315 120.500 0.074 0.000 2.584 230 R HA 0.386 4.726 4.340 -0.000 0.000 0.276 230 R C -1.905 174.429 176.300 0.056 0.000 1.046 230 R CA -0.701 55.441 56.100 0.069 0.000 0.906 230 R CB 1.536 31.878 30.300 0.069 0.000 1.215 230 R HN 0.673 nan 8.270 nan 0.000 0.449 231 D N 2.820 123.298 120.400 0.129 0.000 2.374 231 D HA 0.228 4.868 4.640 -0.000 0.000 0.240 231 D C -1.220 175.168 176.300 0.147 0.000 1.229 231 D CA 0.329 54.465 54.000 0.227 0.000 0.895 231 D CB 0.810 41.750 40.800 0.234 0.000 1.046 231 D HN 0.467 nan 8.370 nan 0.000 0.498 232 Q N 3.576 123.412 119.800 0.060 0.000 2.320 232 Q HA 0.316 4.655 4.340 -0.000 0.000 0.272 232 Q C -1.492 174.561 176.000 0.088 0.000 1.023 232 Q CA -0.674 55.166 55.803 0.062 0.000 0.855 232 Q CB 1.146 29.882 28.738 -0.003 0.000 1.367 232 Q HN 0.423 nan 8.270 nan 0.000 0.406 233 L N 5.381 126.724 121.223 0.200 0.000 2.534 233 L HA 0.255 4.594 4.340 -0.000 0.000 0.271 233 L C -1.813 175.176 176.870 0.198 0.000 1.178 233 L CA -1.429 53.569 54.840 0.264 0.000 0.907 233 L CB 0.050 42.280 42.059 0.285 0.000 1.164 233 L HN 0.578 nan 8.230 nan 0.000 0.482 234 P HA 0.129 nan 4.420 nan 0.000 0.265 234 P C 0.062 177.522 177.300 0.267 0.000 1.193 234 P CA 0.071 63.292 63.100 0.203 0.000 0.765 234 P CB 0.932 32.789 31.700 0.262 0.000 0.823 235 G N 0.949 109.886 108.800 0.229 0.000 2.682 235 G HA2 0.296 4.255 3.960 -0.000 0.000 0.303 235 G HA3 0.296 4.255 3.960 -0.000 0.000 0.303 235 G C -1.415 173.575 174.900 0.150 0.000 1.341 235 G CA -0.398 44.870 45.100 0.279 0.000 0.784 235 G HN 0.333 nan 8.290 nan 0.000 0.497 236 D N 1.105 121.606 120.400 0.168 0.000 2.619 236 D HA 0.224 4.864 4.640 -0.000 0.000 0.224 236 D C 0.323 176.628 176.300 0.008 0.000 1.133 236 D CA -0.194 53.802 54.000 -0.006 0.000 1.017 236 D CB -0.904 40.016 40.800 0.200 0.000 1.077 236 D HN 0.547 nan 8.370 nan 0.000 0.503 237 N N 0.141 118.837 118.700 -0.007 0.000 3.308 237 N HA 0.032 4.772 4.740 -0.000 0.000 0.276 237 N C -0.298 175.244 175.510 0.053 0.000 1.533 237 N CA -0.643 52.415 53.050 0.015 0.000 0.878 237 N CB 0.170 38.676 38.487 0.032 0.000 1.566 237 N HN -0.015 nan 8.380 nan 0.000 0.546 238 N N -0.170 118.536 118.700 0.009 0.000 2.251 238 N HA 0.029 4.769 4.740 -0.000 0.000 0.217 238 N C -0.923 174.661 175.510 0.124 0.000 1.124 238 N CA -0.239 52.831 53.050 0.034 0.000 0.843 238 N CB -0.660 37.622 38.487 -0.343 0.000 1.024 238 N HN 0.331 nan 8.380 nan 0.000 0.501 239 N N 2.279 121.037 118.700 0.096 0.000 2.395 239 N HA -0.054 4.685 4.740 -0.000 0.000 0.246 239 N C 0.046 175.622 175.510 0.109 0.000 1.246 239 N CA 0.144 53.241 53.050 0.079 0.000 0.879 239 N CB 0.305 38.820 38.487 0.048 0.000 1.098 239 N HN 0.454 nan 8.380 nan 0.000 0.444 240 N N 2.108 120.867 118.700 0.098 0.000 2.483 240 N HA 0.073 4.813 4.740 -0.000 0.000 0.264 240 N C -0.069 175.449 175.510 0.013 0.000 1.197 240 N CA 0.153 53.263 53.050 0.099 0.000 0.927 240 N CB 1.021 39.594 38.487 0.142 0.000 1.065 240 N HN 0.400 nan 8.380 nan 0.000 0.461 241 L N 0.537 121.736 121.223 -0.039 0.000 2.777 241 L HA 0.319 4.659 4.340 -0.000 0.000 0.241 241 L C 1.184 177.945 176.870 -0.181 0.000 1.854 241 L CA -0.989 53.688 54.840 -0.272 0.000 2.070 241 L CB -0.280 41.552 42.059 -0.378 0.000 2.441 241 L HN 0.314 nan 8.230 nan 0.000 0.587 242 Y N 0.236 120.595 120.300 0.099 0.000 2.293 242 Y HA 0.044 4.594 4.550 -0.000 0.000 0.291 242 Y C 1.399 177.357 175.900 0.096 0.000 1.137 242 Y CA 0.504 58.650 58.100 0.076 0.000 1.202 242 Y CB -0.847 37.635 38.460 0.037 0.000 0.990 242 Y HN 0.399 nan 8.280 nan 0.000 0.537 243 G N -1.643 107.316 108.800 0.265 0.000 2.471 243 G HA2 0.390 4.350 3.960 -0.000 0.000 0.332 243 G HA3 0.390 4.350 3.960 -0.000 0.000 0.332 243 G C -1.703 173.315 174.900 0.197 0.000 1.176 243 G CA -0.623 44.614 45.100 0.228 0.000 0.949 243 G HN 0.360 nan 8.290 nan 0.000 0.488 244 H N 0.511 119.650 119.070 0.115 0.000 2.786 244 H HA 0.423 4.979 4.556 -0.000 0.000 0.284 244 H C -0.719 174.564 175.328 -0.076 0.000 1.104 244 H CA -0.509 55.616 56.048 0.128 0.000 1.339 244 H CB 0.526 30.488 29.762 0.332 0.000 1.427 244 H HN 0.173 nan 8.280 nan 0.000 0.497 245 Q N 3.738 123.402 119.800 -0.227 0.000 2.394 245 Q HA 0.114 4.453 4.340 -0.000 0.000 0.261 245 Q C 0.710 176.544 176.000 -0.277 0.000 1.023 245 Q CA -0.287 55.225 55.803 -0.485 0.000 0.720 245 Q CB 1.766 29.697 28.738 -1.345 0.000 1.241 245 Q HN 0.890 nan 8.270 nan 0.000 0.483 246 T N -1.350 113.195 114.554 -0.014 0.000 3.043 246 T HA 0.061 4.411 4.350 -0.000 0.000 0.263 246 T C 0.724 175.587 174.700 0.272 0.000 1.094 246 T CA -0.069 62.118 62.100 0.145 0.000 1.127 246 T CB -0.071 68.889 68.868 0.154 0.000 0.905 246 T HN 0.302 nan 8.240 nan 0.000 0.490 247 F N 3.887 123.886 119.950 0.080 0.000 2.608 247 F HA 0.399 4.925 4.527 -0.000 0.000 0.380 247 F C -0.298 175.591 175.800 0.147 0.000 1.083 247 F CA -1.806 56.188 58.000 -0.011 0.000 1.266 247 F CB -0.087 38.597 39.000 -0.526 0.000 1.076 247 F HN 0.303 nan 8.300 nan 0.000 0.574 248 F N 5.638 125.125 119.950 -0.771 0.000 2.650 248 F HA 0.725 5.252 4.527 -0.000 0.000 0.320 248 F C -1.318 173.818 175.800 -1.106 0.000 1.091 248 F CA -1.609 55.906 58.000 -0.810 0.000 0.962 248 F CB 1.462 40.203 39.000 -0.432 0.000 1.363 248 F HN 0.517 nan 8.300 nan 0.000 0.482 249 M N 2.476 121.809 119.600 -0.446 0.000 2.572 249 M HA 0.692 5.172 4.480 -0.000 0.000 0.299 249 M C -2.181 174.005 176.300 -0.190 0.000 1.205 249 M CA -0.471 54.568 55.300 -0.435 0.000 0.876 249 M CB 2.200 34.637 32.600 -0.273 0.000 1.728 249 M HN 1.045 nan 8.290 nan 0.000 0.458 250 C N 4.877 123.919 119.300 -0.430 0.000 2.481 250 C HA 0.644 5.103 4.460 -0.000 0.000 0.324 250 C C -0.820 173.992 174.990 -0.296 0.000 1.170 250 C CA -0.814 57.981 59.018 -0.371 0.000 1.361 250 C CB 0.732 28.052 27.740 -0.699 0.000 1.977 250 C HN 0.951 nan 8.230 nan 0.000 0.459 251 I N 5.739 126.205 120.570 -0.173 0.000 2.325 251 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 251 I C 0.956 176.935 176.117 -0.229 0.000 1.019 251 I CA 0.219 61.336 61.300 -0.306 0.000 1.302 251 I CB 1.057 38.675 38.000 -0.636 0.000 1.401 251 I HN 0.832 nan 8.210 nan 0.000 0.485 252 E N 4.386 124.548 120.200 -0.064 0.000 2.076 252 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 252 E C -0.624 176.035 176.600 0.099 0.000 0.979 252 E CA 0.941 57.388 56.400 0.079 0.000 0.807 252 E CB 0.131 29.921 29.700 0.150 0.000 0.761 252 E HN 0.872 nan 8.360 nan 0.000 0.454 253 D N -2.705 117.749 120.400 0.091 0.000 2.792 253 D HA -0.035 4.605 4.640 -0.000 0.000 0.335 253 D C 0.255 176.815 176.300 0.433 0.000 1.353 253 D CA -0.193 53.995 54.000 0.315 0.000 0.839 253 D CB 0.213 41.148 40.800 0.225 0.000 1.396 253 D HN -0.112 nan 8.370 nan 0.000 0.479 254 T N -2.568 112.281 114.554 0.491 0.000 3.113 254 T HA -0.027 4.323 4.350 -0.000 0.000 0.263 254 T C 1.555 176.490 174.700 0.391 0.000 1.143 254 T CA 1.059 63.452 62.100 0.489 0.000 1.090 254 T CB -0.624 68.399 68.868 0.258 0.000 0.922 254 T HN 0.506 nan 8.240 nan 0.000 0.521 255 S N 0.899 116.763 115.700 0.274 0.000 2.474 255 S HA 0.282 4.751 4.470 -0.000 0.000 0.235 255 S C 2.141 176.847 174.600 0.176 0.000 0.997 255 S CA 0.746 59.079 58.200 0.221 0.000 0.949 255 S CB -0.833 62.446 63.200 0.131 0.000 0.766 255 S HN 1.108 nan 8.310 nan 0.000 0.517 256 G N 0.904 109.742 108.800 0.065 0.000 2.234 256 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.235 256 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.235 256 G C 0.012 174.707 174.900 -0.342 0.000 0.997 256 G CA -0.015 44.789 45.100 -0.493 0.000 0.623 256 G HN 0.586 nan 8.290 nan 0.000 0.514 257 K N 1.465 121.787 120.400 -0.130 0.000 2.491 257 K HA 0.408 4.728 4.320 -0.000 0.000 0.279 257 K C 0.015 176.590 176.600 -0.042 0.000 1.026 257 K CA 1.042 57.294 56.287 -0.060 0.000 1.070 257 K CB 0.400 32.909 32.500 0.015 0.000 0.887 257 K HN 0.298 nan 8.250 nan 0.000 0.481 258 S N 1.604 117.297 115.700 -0.010 0.000 2.638 258 S HA 0.712 5.182 4.470 -0.000 0.000 0.274 258 S C -1.217 173.489 174.600 0.176 0.000 1.157 258 S CA -1.005 57.199 58.200 0.007 0.000 0.826 258 S CB 0.992 64.098 63.200 -0.155 0.000 1.139 258 S HN 0.570 nan 8.310 nan 0.000 0.474 259 F N -1.449 118.491 119.950 -0.016 0.000 2.685 259 F HA 0.956 5.482 4.527 -0.000 0.000 0.315 259 F C -0.241 175.552 175.800 -0.012 0.000 1.126 259 F CA -0.885 57.123 58.000 0.013 0.000 0.950 259 F CB 0.981 40.001 39.000 0.034 0.000 1.360 259 F HN 0.769 nan 8.300 nan 0.000 0.469 260 G N 0.301 109.152 108.800 0.084 0.000 2.574 260 G HA2 0.645 4.605 3.960 -0.000 0.000 0.299 260 G HA3 0.645 4.605 3.960 -0.000 0.000 0.299 260 G C -2.329 172.561 174.900 -0.016 0.000 1.298 260 G CA -1.228 43.796 45.100 -0.127 0.000 0.952 260 G HN 0.751 nan 8.290 nan 0.000 0.477 261 V N 1.124 120.789 119.914 -0.415 0.000 2.525 261 V HA 0.555 4.675 4.120 -0.000 0.000 0.299 261 V C -1.418 174.688 176.094 0.020 0.000 1.034 261 V CA -0.681 61.487 62.300 -0.221 0.000 0.863 261 V CB 1.392 32.965 31.823 -0.417 0.000 0.999 261 V HN 0.681 nan 8.190 nan 0.000 0.423 262 F N 6.583 126.612 119.950 0.133 0.000 2.477 262 F HA 0.761 5.288 4.527 -0.000 0.000 0.335 262 F C -1.028 174.771 175.800 -0.001 0.000 1.130 262 F CA -1.370 56.731 58.000 0.168 0.000 0.948 262 F CB 1.751 40.913 39.000 0.269 0.000 1.154 262 F HN 0.416 nan 8.300 nan 0.000 0.439 263 L N 8.009 128.745 121.223 -0.811 0.000 2.265 263 L HA 0.493 4.832 4.340 -0.000 0.000 0.289 263 L C -0.534 175.572 176.870 -1.272 0.000 1.033 263 L CA -0.595 53.543 54.840 -1.170 0.000 0.814 263 L CB 1.050 42.539 42.059 -0.950 0.000 1.203 263 L HN 0.768 nan 8.230 nan 0.000 0.423 264 M N 6.456 125.409 119.600 -1.078 0.000 2.557 264 M HA 0.366 4.846 4.480 -0.000 0.000 0.328 264 M C -0.989 175.165 176.300 -0.244 0.000 1.423 264 M CA 0.669 55.630 55.300 -0.566 0.000 1.418 264 M CB -0.842 31.627 32.600 -0.219 0.000 1.381 264 M HN 0.667 nan 8.290 nan 0.000 0.467 265 N N 1.505 120.174 118.700 -0.050 0.000 2.521 265 N HA 0.211 4.950 4.740 -0.000 0.000 0.269 265 N C -0.964 174.697 175.510 0.253 0.000 1.079 265 N CA 0.079 53.169 53.050 0.065 0.000 0.980 265 N CB 1.541 40.005 38.487 -0.039 0.000 1.667 265 N HN 0.529 nan 8.380 nan 0.000 0.498 266 S N 1.193 116.993 115.700 0.166 0.000 2.593 266 S HA 0.266 4.736 4.470 -0.000 0.000 0.236 266 S C 0.241 174.837 174.600 -0.006 0.000 0.991 266 S CA -0.596 57.527 58.200 -0.127 0.000 0.963 266 S CB -0.157 62.824 63.200 -0.366 0.000 0.865 266 S HN 0.479 nan 8.310 nan 0.000 0.488 267 N N 2.425 121.216 118.700 0.152 0.000 2.467 267 N HA 0.404 5.144 4.740 -0.000 0.000 0.262 267 N C 0.174 175.824 175.510 0.232 0.000 1.234 267 N CA 0.225 53.337 53.050 0.103 0.000 0.952 267 N CB 0.890 39.389 38.487 0.020 0.000 1.158 267 N HN 0.472 nan 8.380 nan 0.000 0.463 268 A N 1.666 124.445 122.820 -0.069 0.000 2.565 268 A HA 0.242 4.562 4.320 -0.000 0.000 0.237 268 A C 0.474 178.041 177.584 -0.028 0.000 1.053 268 A CA 0.506 52.391 52.037 -0.254 0.000 0.755 268 A CB -0.294 18.055 19.000 -1.084 0.000 0.980 268 A HN 0.762 nan 8.150 nan 0.000 0.506 269 M N 0.471 120.120 119.600 0.082 0.000 2.880 269 M HA 0.751 5.230 4.480 -0.000 0.000 0.269 269 M C -1.230 175.165 176.300 0.159 0.000 1.248 269 M CA -0.634 54.759 55.300 0.155 0.000 0.821 269 M CB 1.656 34.371 32.600 0.192 0.000 1.650 269 M HN 0.514 nan 8.290 nan 0.000 0.479 270 E N 0.912 121.244 120.200 0.220 0.000 2.266 270 E HA 0.689 5.039 4.350 -0.000 0.000 0.268 270 E C -1.622 175.081 176.600 0.173 0.000 0.879 270 E CA -0.777 55.748 56.400 0.209 0.000 0.762 270 E CB 3.170 33.035 29.700 0.276 0.000 1.199 270 E HN 0.588 nan 8.360 nan 0.000 0.422 271 I N 2.996 123.644 120.570 0.131 0.000 2.378 271 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 271 I C -0.911 175.250 176.117 0.074 0.000 0.992 271 I CA -0.705 60.583 61.300 -0.019 0.000 1.154 271 I CB 0.874 38.781 38.000 -0.155 0.000 1.315 271 I HN 0.399 nan 8.210 nan 0.000 0.448 272 F N 7.795 127.680 119.950 -0.108 0.000 2.482 272 F HA 0.661 5.187 4.527 -0.000 0.000 0.331 272 F C -0.771 174.940 175.800 -0.147 0.000 1.115 272 F CA -0.591 57.364 58.000 -0.075 0.000 0.955 272 F CB 1.109 40.110 39.000 0.002 0.000 1.136 272 F HN 0.185 nan 8.300 nan 0.000 0.452 273 I N 6.125 126.135 120.570 -0.933 0.000 2.436 273 I HA 0.350 4.520 4.170 -0.000 0.000 0.289 273 I C -1.033 174.535 176.117 -0.915 0.000 1.010 273 I CA -0.601 60.273 61.300 -0.710 0.000 1.098 273 I CB 1.901 39.592 38.000 -0.515 0.000 1.266 273 I HN 0.627 nan 8.210 nan 0.000 0.434 274 Q N 6.277 125.633 119.800 -0.739 0.000 2.484 274 Q HA 0.664 5.004 4.340 -0.000 0.000 0.285 274 Q C -2.959 172.554 176.000 -0.811 0.000 1.097 274 Q CA -2.335 52.828 55.803 -1.067 0.000 0.802 274 Q CB 2.343 30.346 28.738 -1.225 0.000 1.444 274 Q HN 0.168 nan 8.270 nan 0.000 0.429 275 P HA 0.140 nan 4.420 nan 0.000 0.269 275 P C -0.466 176.628 177.300 -0.344 0.000 1.209 275 P CA 0.450 63.265 63.100 -0.474 0.000 0.776 275 P CB 0.953 32.450 31.700 -0.337 0.000 0.876 276 T N -1.662 112.751 114.554 -0.235 0.000 5.354 276 T HA -0.005 4.345 4.350 -0.000 0.000 0.268 276 T C -2.722 171.900 174.700 -0.129 0.000 2.210 276 T CA -0.086 61.920 62.100 -0.158 0.000 3.779 276 T CB -1.911 66.866 68.868 -0.150 0.000 0.283 276 T HN 0.417 nan 8.240 nan 0.000 0.547 277 P HA 0.793 nan 4.420 nan 0.000 0.282 277 P C -1.165 176.016 177.300 -0.199 0.000 1.259 277 P CA -0.486 62.474 63.100 -0.232 0.000 0.826 277 P CB 1.146 32.685 31.700 -0.267 0.000 1.064 278 I N 0.431 120.856 120.570 -0.241 0.000 2.533 278 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 278 I C -0.448 175.553 176.117 -0.193 0.000 1.056 278 I CA -1.112 60.082 61.300 -0.176 0.000 1.057 278 I CB 2.475 40.396 38.000 -0.132 0.000 1.240 278 I HN -0.018 nan 8.210 nan 0.000 0.423 279 V N 4.472 124.302 119.914 -0.141 0.000 2.483 279 V HA 0.530 4.650 4.120 -0.000 0.000 0.295 279 V C -0.078 176.008 176.094 -0.012 0.000 1.035 279 V CA -0.313 61.891 62.300 -0.159 0.000 0.896 279 V CB 1.902 33.602 31.823 -0.205 0.000 0.986 279 V HN 0.734 nan 8.190 nan 0.000 0.447 280 T N 4.155 118.720 114.554 0.019 0.000 2.824 280 T HA 0.597 4.947 4.350 -0.000 0.000 0.282 280 T C -1.056 173.693 174.700 0.082 0.000 0.993 280 T CA -0.283 61.903 62.100 0.143 0.000 0.967 280 T CB 0.894 69.885 68.868 0.205 0.000 0.960 280 T HN 0.412 nan 8.240 nan 0.000 0.441 281 Y N 1.943 122.348 120.300 0.175 0.000 2.330 281 Y HA 0.558 5.107 4.550 -0.000 0.000 0.336 281 Y C 0.995 176.921 175.900 0.043 0.000 1.036 281 Y CA -0.966 57.233 58.100 0.165 0.000 1.125 281 Y CB 1.251 39.861 38.460 0.249 0.000 1.194 281 Y HN 0.286 nan 8.280 nan 0.000 0.469 282 R N 2.760 123.350 120.500 0.150 0.000 2.467 282 R HA 0.520 4.860 4.340 -0.000 0.000 0.299 282 R C -1.568 174.745 176.300 0.022 0.000 1.120 282 R CA -0.715 55.331 56.100 -0.091 0.000 0.940 282 R CB 1.954 32.237 30.300 -0.028 0.000 1.161 282 R HN 0.496 nan 8.270 nan 0.000 0.506 283 V N 1.566 121.399 119.914 -0.135 0.000 2.680 283 V HA 0.402 4.521 4.120 -0.000 0.000 0.309 283 V C 0.855 176.954 176.094 0.009 0.000 1.052 283 V CA -0.322 61.983 62.300 0.009 0.000 0.908 283 V CB 2.096 33.939 31.823 0.034 0.000 1.001 283 V HN 0.856 nan 8.190 nan 0.000 0.431 284 T N 1.857 116.463 114.554 0.086 0.000 3.107 284 T HA 0.610 4.960 4.350 -0.000 0.000 0.249 284 T C 0.700 175.512 174.700 0.187 0.000 1.096 284 T CA 0.472 62.659 62.100 0.146 0.000 1.012 284 T CB -0.355 68.519 68.868 0.009 0.000 0.977 284 T HN 1.670 nan 8.240 nan 0.000 0.527 285 G N -1.311 107.556 108.800 0.111 0.000 2.340 285 G HA2 0.557 4.517 3.960 -0.000 0.000 0.299 285 G HA3 0.557 4.517 3.960 -0.000 0.000 0.299 285 G C 0.029 174.989 174.900 0.100 0.000 1.291 285 G CA -0.126 45.076 45.100 0.170 0.000 0.841 285 G HN 0.992 nan 8.290 nan 0.000 0.500 286 G N -0.971 107.931 108.800 0.170 0.000 2.569 286 G HA2 0.229 4.189 3.960 -0.000 0.000 0.259 286 G HA3 0.229 4.189 3.960 -0.000 0.000 0.259 286 G C 0.326 175.253 174.900 0.044 0.000 1.263 286 G CA 0.962 46.173 45.100 0.184 0.000 0.928 286 G HN 2.166 nan 8.290 nan 0.000 0.572 287 I N -2.681 117.900 120.570 0.018 0.000 3.170 287 I HA 0.830 5.000 4.170 -0.000 0.000 0.312 287 I C -0.010 176.076 176.117 -0.053 0.000 1.085 287 I CA -1.553 59.764 61.300 0.028 0.000 0.999 287 I CB 1.867 39.904 38.000 0.061 0.000 1.233 287 I HN 0.548 nan 8.210 nan 0.000 0.467 288 L N 2.087 123.329 121.223 0.032 0.000 2.257 288 L HA 0.436 4.776 4.340 -0.000 0.000 0.290 288 L C -1.124 175.628 176.870 -0.198 0.000 1.044 288 L CA 0.021 54.827 54.840 -0.056 0.000 0.810 288 L CB 0.731 42.933 42.059 0.238 0.000 1.193 288 L HN 0.593 nan 8.230 nan 0.000 0.425 289 D N 3.905 124.004 120.400 -0.501 0.000 2.358 289 D HA 0.348 4.987 4.640 -0.000 0.000 0.253 289 D C -1.222 174.577 176.300 -0.834 0.000 1.288 289 D CA -0.171 53.495 54.000 -0.556 0.000 0.950 289 D CB 0.712 41.280 40.800 -0.387 0.000 1.197 289 D HN 0.029 nan 8.370 nan 0.000 0.550 290 F N 2.314 121.664 119.950 -1.001 0.000 2.492 290 F HA 0.522 5.048 4.527 -0.000 0.000 0.327 290 F C -0.416 174.841 175.800 -0.905 0.000 1.079 290 F CA -0.623 56.808 58.000 -0.949 0.000 0.967 290 F CB 1.522 39.738 39.000 -1.306 0.000 1.169 290 F HN 0.166 nan 8.300 nan 0.000 0.472 291 Y N 3.002 123.191 120.300 -0.184 0.000 2.350 291 Y HA 0.588 5.138 4.550 -0.000 0.000 0.338 291 Y C -0.833 175.065 175.900 -0.003 0.000 0.961 291 Y CA -0.906 57.135 58.100 -0.099 0.000 1.100 291 Y CB 1.518 40.009 38.460 0.052 0.000 1.179 291 Y HN 0.257 nan 8.280 nan 0.000 0.454 292 I N 4.913 125.549 120.570 0.110 0.000 2.378 292 I HA 0.391 4.560 4.170 -0.000 0.000 0.291 292 I C -0.994 175.212 176.117 0.148 0.000 0.992 292 I CA -0.497 60.872 61.300 0.115 0.000 1.154 292 I CB 1.224 39.240 38.000 0.027 0.000 1.315 292 I HN 0.386 nan 8.210 nan 0.000 0.448 293 L N 6.992 128.345 121.223 0.218 0.000 2.343 293 L HA 0.559 4.899 4.340 -0.000 0.000 0.278 293 L C -0.909 176.098 176.870 0.228 0.000 0.996 293 L CA -0.634 54.329 54.840 0.206 0.000 0.831 293 L CB 1.228 43.420 42.059 0.221 0.000 1.232 293 L HN 0.297 nan 8.230 nan 0.000 0.413 294 L N 2.374 123.717 121.223 0.200 0.000 2.343 294 L HA 0.908 5.248 4.340 -0.000 0.000 0.275 294 L C 0.565 177.513 176.870 0.130 0.000 1.056 294 L CA 0.062 55.017 54.840 0.190 0.000 0.804 294 L CB 1.800 43.969 42.059 0.183 0.000 1.203 294 L HN 0.652 nan 8.230 nan 0.000 0.440 295 G N 0.162 109.019 108.800 0.095 0.000 2.718 295 G HA2 0.380 4.340 3.960 -0.000 0.000 0.295 295 G HA3 0.380 4.340 3.960 -0.000 0.000 0.295 295 G C -0.508 174.386 174.900 -0.010 0.000 1.421 295 G CA -0.394 44.725 45.100 0.030 0.000 0.902 295 G HN 0.471 nan 8.290 nan 0.000 0.501 296 D N -0.215 120.163 120.400 -0.036 0.000 2.347 296 D HA 0.120 4.759 4.640 -0.000 0.000 0.213 296 D C 1.467 177.661 176.300 -0.178 0.000 0.985 296 D CA 1.480 55.440 54.000 -0.065 0.000 0.879 296 D CB 0.526 41.307 40.800 -0.032 0.000 0.919 296 D HN 0.622 nan 8.370 nan 0.000 0.526 297 T N -4.669 109.751 114.554 -0.223 0.000 2.843 297 T HA 0.368 4.717 4.350 -0.000 0.000 0.302 297 T C -2.472 172.024 174.700 -0.340 0.000 1.232 297 T CA -1.620 60.227 62.100 -0.423 0.000 1.009 297 T CB 2.252 70.925 68.868 -0.325 0.000 1.254 297 T HN -0.407 nan 8.240 nan 0.000 0.504 298 P HA -0.044 nan 4.420 nan 0.000 0.216 298 P C 1.373 178.376 177.300 -0.495 0.000 1.150 298 P CA 0.999 63.795 63.100 -0.506 0.000 0.837 298 P CB 0.178 31.425 31.700 -0.755 0.000 0.786 299 E N -0.141 119.821 120.200 -0.397 0.000 2.077 299 E HA -0.228 4.121 4.350 -0.000 0.000 0.193 299 E C 2.199 178.764 176.600 -0.059 0.000 0.989 299 E CA 1.275 57.594 56.400 -0.136 0.000 0.800 299 E CB -0.620 29.079 29.700 -0.003 0.000 0.746 299 E HN 0.164 nan 8.360 nan 0.000 0.452 300 Q N -0.550 119.205 119.800 -0.075 0.000 2.124 300 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 300 Q C 2.098 178.096 176.000 -0.003 0.000 0.977 300 Q CA 1.589 57.373 55.803 -0.033 0.000 0.850 300 Q CB 0.099 28.813 28.738 -0.039 0.000 0.901 300 Q HN 0.241 nan 8.270 nan 0.000 0.429 301 V N -0.312 119.598 119.914 -0.007 0.000 2.287 301 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 301 V C 2.223 178.384 176.094 0.112 0.000 1.053 301 V CA 1.617 63.962 62.300 0.074 0.000 1.027 301 V CB -0.527 31.341 31.823 0.074 0.000 0.646 301 V HN 0.245 nan 8.190 nan 0.000 0.447 302 V N -0.456 119.513 119.914 0.092 0.000 2.343 302 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 302 V C 2.468 178.572 176.094 0.018 0.000 1.051 302 V CA 2.077 64.430 62.300 0.088 0.000 1.036 302 V CB -0.743 31.169 31.823 0.147 0.000 0.654 302 V HN 0.600 nan 8.190 nan 0.000 0.451 303 Q N -0.849 118.956 119.800 0.007 0.000 2.050 303 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 303 Q C 2.477 178.445 176.000 -0.053 0.000 0.980 303 Q CA 1.447 57.237 55.803 -0.022 0.000 0.840 303 Q CB -0.235 28.505 28.738 0.003 0.000 0.898 303 Q HN 0.590 nan 8.270 nan 0.000 0.424 304 Q N -0.156 119.633 119.800 -0.019 0.000 2.061 304 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 304 Q C 1.929 177.869 176.000 -0.101 0.000 0.984 304 Q CA 1.496 57.283 55.803 -0.026 0.000 0.846 304 Q CB -0.570 28.191 28.738 0.038 0.000 0.902 304 Q HN 0.483 nan 8.270 nan 0.000 0.421 305 Y N 1.792 121.926 120.300 -0.277 0.000 2.097 305 Y HA -0.255 4.295 4.550 -0.000 0.000 0.282 305 Y C 2.236 177.835 175.900 -0.502 0.000 1.152 305 Y CA 2.071 59.858 58.100 -0.523 0.000 1.136 305 Y CB -0.249 37.606 38.460 -1.009 0.000 0.975 305 Y HN 0.163 nan 8.280 nan 0.000 0.498 306 Q N -0.382 119.110 119.800 -0.513 0.000 2.167 306 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 306 Q C 2.261 177.981 176.000 -0.467 0.000 0.970 306 Q CA 1.634 57.108 55.803 -0.548 0.000 0.855 306 Q CB -0.192 28.360 28.738 -0.311 0.000 0.911 306 Q HN 0.607 nan 8.270 nan 0.000 0.438 307 Q N 0.105 119.717 119.800 -0.313 0.000 2.226 307 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 307 Q C 1.870 177.763 176.000 -0.178 0.000 0.975 307 Q CA 0.884 56.566 55.803 -0.201 0.000 0.866 307 Q CB 0.042 28.711 28.738 -0.115 0.000 0.915 307 Q HN 0.280 nan 8.270 nan 0.000 0.440 308 L N -0.576 120.444 121.223 -0.339 0.000 2.034 308 L HA -0.064 4.276 4.340 -0.000 0.000 0.203 308 L C 1.947 178.587 176.870 -0.383 0.000 1.074 308 L CA 1.427 56.041 54.840 -0.376 0.000 0.748 308 L CB -0.459 41.266 42.059 -0.558 0.000 0.905 308 L HN 0.152 nan 8.230 nan 0.000 0.439 309 V N -1.858 117.618 119.914 -0.730 0.000 3.541 309 V HA 0.533 4.653 4.120 -0.000 0.000 0.267 309 V C 0.825 176.599 176.094 -0.533 0.000 1.213 309 V CA 0.260 62.152 62.300 -0.680 0.000 1.149 309 V CB -1.106 30.085 31.823 -1.054 0.000 0.822 309 V HN 0.727 nan 8.190 nan 0.000 0.462 310 G N 0.292 108.583 108.800 -0.847 0.000 3.088 310 G HA2 0.044 4.004 3.960 -0.000 0.000 0.620 310 G HA3 0.044 4.004 3.960 -0.000 0.000 0.620 310 G C -0.966 173.491 174.900 -0.739 0.000 1.375 310 G CA -0.642 43.692 45.100 -1.276 0.000 1.016 310 G HN 0.379 nan 8.290 nan 0.000 0.590 311 L N 3.913 124.742 121.223 -0.656 0.000 2.456 311 L HA 0.339 4.679 4.340 -0.000 0.000 0.272 311 L C -1.196 175.466 176.870 -0.346 0.000 1.189 311 L CA -1.539 53.035 54.840 -0.444 0.000 0.846 311 L CB 0.709 42.493 42.059 -0.457 0.000 1.111 311 L HN 0.380 nan 8.230 nan 0.000 0.475 312 P HA 0.060 nan 4.420 nan 0.000 0.269 312 P C -0.724 176.589 177.300 0.022 0.000 1.209 312 P CA -0.414 62.626 63.100 -0.101 0.000 0.776 312 P CB 0.668 32.353 31.700 -0.024 0.000 0.876 313 A N 3.510 126.319 122.820 -0.018 0.000 2.498 313 A HA 0.228 4.548 4.320 -0.000 0.000 0.239 313 A C 0.512 178.046 177.584 -0.083 0.000 1.068 313 A CA -0.204 51.823 52.037 -0.016 0.000 0.766 313 A CB -0.414 18.535 19.000 -0.085 0.000 1.003 313 A HN 0.574 nan 8.150 nan 0.000 0.497 314 M N 4.901 124.296 119.600 -0.341 0.000 2.251 314 M HA 0.251 4.731 4.480 -0.000 0.000 0.346 314 M C -1.942 174.179 176.300 -0.299 0.000 1.499 314 M CA -2.003 53.035 55.300 -0.436 0.000 1.128 314 M CB 0.198 32.359 32.600 -0.732 0.000 1.809 314 M HN 0.463 nan 8.290 nan 0.000 0.464 315 P HA 0.234 nan 4.420 nan 0.000 0.274 315 P C -1.252 175.920 177.300 -0.213 0.000 1.237 315 P CA -0.447 62.446 63.100 -0.344 0.000 0.793 315 P CB 0.361 31.699 31.700 -0.604 0.000 0.977 316 A N 1.758 124.402 122.820 -0.294 0.000 2.425 316 A HA 0.022 4.342 4.320 -0.000 0.000 0.249 316 A C 1.083 178.506 177.584 -0.268 0.000 1.084 316 A CA -0.244 51.633 52.037 -0.268 0.000 0.781 316 A CB -0.588 18.097 19.000 -0.524 0.000 1.019 316 A HN 0.686 nan 8.150 nan 0.000 0.490 317 Y N 1.825 121.977 120.300 -0.246 0.000 2.207 317 Y HA -0.256 4.294 4.550 -0.000 0.000 0.287 317 Y C 2.108 177.879 175.900 -0.215 0.000 1.156 317 Y CA 2.762 60.653 58.100 -0.349 0.000 1.182 317 Y CB -0.083 38.026 38.460 -0.585 0.000 0.979 317 Y HN 0.893 nan 8.280 nan 0.000 0.521 318 W N 0.146 121.443 121.300 -0.005 0.000 2.421 318 W HA -0.160 4.500 4.660 -0.000 0.000 0.270 318 W C 1.016 177.437 176.519 -0.163 0.000 1.233 318 W CA 0.902 58.211 57.345 -0.061 0.000 1.226 318 W CB -1.161 28.267 29.460 -0.054 0.000 1.121 318 W HN 0.123 nan 8.180 nan 0.000 0.579 319 N N 2.006 120.233 118.700 -0.789 0.000 2.272 319 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 319 N C 1.807 177.099 175.510 -0.363 0.000 1.014 319 N CA 1.815 54.377 53.050 -0.813 0.000 0.870 319 N CB -0.893 37.186 38.487 -0.679 0.000 0.975 319 N HN 0.338 nan 8.380 nan 0.000 0.433 320 L N -0.373 120.663 121.223 -0.312 0.000 2.554 320 L HA 0.173 4.512 4.340 -0.000 0.000 0.226 320 L C 1.353 178.129 176.870 -0.157 0.000 1.137 320 L CA -0.252 54.457 54.840 -0.220 0.000 0.863 320 L CB -0.665 41.191 42.059 -0.338 0.000 0.985 320 L HN 0.018 nan 8.230 nan 0.000 0.451 321 G N -0.329 108.408 108.800 -0.105 0.000 2.569 321 G HA2 0.107 4.066 3.960 -0.000 0.000 0.249 321 G HA3 0.107 4.066 3.960 -0.000 0.000 0.249 321 G C -0.678 174.370 174.900 0.247 0.000 1.216 321 G CA -0.430 44.702 45.100 0.053 0.000 0.845 321 G HN -0.077 nan 8.290 nan 0.000 0.568 322 F N 0.371 120.515 119.950 0.323 0.000 2.518 322 F HA 0.262 4.789 4.527 -0.000 0.000 0.359 322 F C 0.732 176.659 175.800 0.212 0.000 1.118 322 F CA -0.082 58.054 58.000 0.226 0.000 1.287 322 F CB 0.707 39.882 39.000 0.291 0.000 1.132 322 F HN 0.385 nan 8.300 nan 0.000 0.587 323 Q N 6.150 125.566 119.800 -0.639 0.000 2.337 323 Q HA 0.533 4.872 4.340 -0.000 0.000 0.266 323 Q C -1.302 174.250 176.000 -0.746 0.000 1.023 323 Q CA -0.956 54.569 55.803 -0.463 0.000 0.829 323 Q CB 2.770 31.343 28.738 -0.275 0.000 1.306 323 Q HN 0.611 nan 8.270 nan 0.000 0.449 324 L N 1.270 122.309 121.223 -0.307 0.000 2.317 324 L HA 0.688 5.028 4.340 -0.000 0.000 0.281 324 L C -0.289 176.623 176.870 0.069 0.000 1.024 324 L CA -0.485 54.237 54.840 -0.197 0.000 0.810 324 L CB 1.940 43.898 42.059 -0.167 0.000 1.240 324 L HN 0.628 nan 8.230 nan 0.000 0.427 325 S N 2.981 118.770 115.700 0.148 0.000 2.565 325 S HA 0.809 5.278 4.470 -0.000 0.000 0.269 325 S C -1.483 173.283 174.600 0.277 0.000 1.153 325 S CA -0.775 57.621 58.200 0.327 0.000 0.835 325 S CB 1.941 65.266 63.200 0.208 0.000 1.122 325 S HN 0.774 nan 8.310 nan 0.000 0.462 326 R N 1.218 121.812 120.500 0.156 0.000 2.663 326 R HA 0.482 4.822 4.340 -0.000 0.000 0.267 326 R C -2.021 174.329 176.300 0.083 0.000 1.038 326 R CA -0.917 55.093 56.100 -0.150 0.000 0.886 326 R CB 0.096 30.091 30.300 -0.508 0.000 1.249 326 R HN 0.522 nan 8.270 nan 0.000 0.463 327 W N 4.130 125.367 121.300 -0.106 0.000 2.356 327 W HA 0.285 4.945 4.660 -0.000 0.000 0.311 327 W C -0.243 176.192 176.519 -0.140 0.000 1.328 327 W CA -0.074 57.274 57.345 0.004 0.000 1.251 327 W CB -0.099 29.420 29.460 0.098 0.000 1.280 327 W HN 0.910 nan 8.180 nan 0.000 0.524 328 N N 5.148 123.992 118.700 0.240 0.000 2.729 328 N HA -0.278 4.462 4.740 -0.000 0.000 0.259 328 N C -0.038 175.476 175.510 0.006 0.000 1.119 328 N CA 0.695 53.767 53.050 0.038 0.000 0.679 328 N CB -1.692 36.621 38.487 -0.290 0.000 0.892 328 N HN 0.489 nan 8.380 nan 0.000 0.558 329 Y N 0.880 121.307 120.300 0.212 0.000 2.352 329 Y HA -0.076 4.474 4.550 -0.000 0.000 0.292 329 Y C 2.123 178.103 175.900 0.133 0.000 1.136 329 Y CA 1.745 59.958 58.100 0.189 0.000 1.227 329 Y CB -0.019 38.579 38.460 0.230 0.000 0.991 329 Y HN 0.535 nan 8.280 nan 0.000 0.545 330 K N -1.040 119.574 120.400 0.357 0.000 3.695 330 K HA -0.244 4.076 4.320 -0.000 0.000 0.416 330 K C 0.182 176.899 176.600 0.195 0.000 0.459 330 K CA 1.215 57.649 56.287 0.245 0.000 1.825 330 K CB -1.563 30.993 32.500 0.094 0.000 0.891 330 K HN 0.390 nan 8.250 nan 0.000 0.469 331 S N -0.716 114.958 115.700 -0.043 0.000 2.599 331 S HA 0.496 4.966 4.470 -0.000 0.000 0.287 331 S C 0.419 174.502 174.600 -0.862 0.000 1.105 331 S CA -0.509 57.424 58.200 -0.445 0.000 0.899 331 S CB 2.031 65.090 63.200 -0.234 0.000 1.100 331 S HN 0.208 nan 8.310 nan 0.000 0.482 332 L N 1.160 121.632 121.223 -1.251 0.000 2.191 332 L HA 0.073 4.413 4.340 -0.000 0.000 0.212 332 L C 1.563 178.076 176.870 -0.595 0.000 1.103 332 L CA 1.975 56.219 54.840 -0.994 0.000 0.769 332 L CB -0.993 40.620 42.059 -0.743 0.000 0.908 332 L HN 0.826 nan 8.230 nan 0.000 0.438 333 D N -0.979 119.176 120.400 -0.408 0.000 2.117 333 D HA -0.156 4.483 4.640 -0.000 0.000 0.197 333 D C 2.309 178.474 176.300 -0.226 0.000 0.987 333 D CA 1.529 55.374 54.000 -0.258 0.000 0.829 333 D CB -0.089 40.609 40.800 -0.170 0.000 0.961 333 D HN 0.251 nan 8.370 nan 0.000 0.460 334 V N 0.291 120.082 119.914 -0.205 0.000 2.358 334 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 334 V C 2.612 178.574 176.094 -0.221 0.000 1.047 334 V CA 0.878 63.112 62.300 -0.110 0.000 1.035 334 V CB -0.376 31.486 31.823 0.064 0.000 0.658 334 V HN 0.056 nan 8.190 nan 0.000 0.452 335 V N 0.017 119.673 119.914 -0.430 0.000 2.282 335 V HA -0.342 3.777 4.120 -0.000 0.000 0.249 335 V C 2.441 178.269 176.094 -0.444 0.000 1.057 335 V CA 2.304 64.188 62.300 -0.693 0.000 1.032 335 V CB -0.799 30.550 31.823 -0.790 0.000 0.645 335 V HN 0.536 nan 8.190 nan 0.000 0.447 336 K N -0.218 119.929 120.400 -0.422 0.000 2.063 336 K HA -0.256 4.064 4.320 -0.000 0.000 0.208 336 K C 2.278 178.818 176.600 -0.099 0.000 1.048 336 K CA 1.877 58.048 56.287 -0.193 0.000 0.928 336 K CB -0.250 32.140 32.500 -0.183 0.000 0.713 336 K HN 0.594 nan 8.250 nan 0.000 0.442 337 E N 0.825 120.949 120.200 -0.126 0.000 2.077 337 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 337 E C 1.897 178.455 176.600 -0.072 0.000 0.989 337 E CA 1.172 57.521 56.400 -0.084 0.000 0.800 337 E CB 0.174 29.822 29.700 -0.088 0.000 0.746 337 E HN 0.055 nan 8.360 nan 0.000 0.452 338 V N 0.557 120.411 119.914 -0.101 0.000 2.307 338 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 338 V C 2.489 178.569 176.094 -0.022 0.000 1.045 338 V CA 1.347 63.605 62.300 -0.070 0.000 1.024 338 V CB -0.278 31.521 31.823 -0.040 0.000 0.651 338 V HN 0.193 nan 8.190 nan 0.000 0.449 339 V N 1.452 121.379 119.914 0.022 0.000 2.287 339 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 339 V C 2.705 178.893 176.094 0.156 0.000 1.053 339 V CA 2.751 65.156 62.300 0.176 0.000 1.027 339 V CB -0.927 31.041 31.823 0.243 0.000 0.646 339 V HN 0.745 nan 8.190 nan 0.000 0.447 340 R N 1.809 122.348 120.500 0.066 0.000 2.075 340 R HA -0.171 4.169 4.340 -0.000 0.000 0.232 340 R C 2.338 178.669 176.300 0.052 0.000 1.126 340 R CA 1.774 57.903 56.100 0.048 0.000 0.963 340 R CB -0.760 29.548 30.300 0.014 0.000 0.858 340 R HN 0.610 nan 8.270 nan 0.000 0.435 341 R N 0.461 120.979 120.500 0.030 0.000 2.092 341 R HA 0.019 4.359 4.340 -0.000 0.000 0.231 341 R C 1.540 177.866 176.300 0.044 0.000 1.119 341 R CA 1.567 57.682 56.100 0.025 0.000 0.970 341 R CB -0.681 29.622 30.300 0.004 0.000 0.864 341 R HN 0.290 nan 8.270 nan 0.000 0.440 342 N N 0.961 119.686 118.700 0.043 0.000 2.216 342 N HA -0.061 4.679 4.740 -0.000 0.000 0.183 342 N C 1.794 177.430 175.510 0.209 0.000 1.017 342 N CA 0.989 54.065 53.050 0.044 0.000 0.861 342 N CB -0.124 38.232 38.487 -0.218 0.000 0.986 342 N HN 0.344 nan 8.380 nan 0.000 0.428 343 R N 1.239 121.913 120.500 0.290 0.000 2.083 343 R HA -0.089 4.251 4.340 -0.000 0.000 0.237 343 R C 2.061 178.439 176.300 0.130 0.000 1.137 343 R CA 1.028 57.268 56.100 0.233 0.000 0.951 343 R CB -0.204 30.188 30.300 0.153 0.000 0.851 343 R HN 0.356 nan 8.270 nan 0.000 0.434 344 E N 0.395 120.650 120.200 0.093 0.000 2.110 344 E HA -0.168 4.181 4.350 -0.000 0.000 0.193 344 E C 1.678 178.310 176.600 0.053 0.000 0.988 344 E CA 1.161 57.596 56.400 0.060 0.000 0.804 344 E CB 0.020 29.744 29.700 0.040 0.000 0.745 344 E HN 0.373 nan 8.360 nan 0.000 0.458 345 A N 0.025 122.881 122.820 0.061 0.000 2.167 345 A HA 0.114 4.434 4.320 -0.000 0.000 0.214 345 A C 1.680 179.293 177.584 0.048 0.000 1.151 345 A CA 1.116 53.182 52.037 0.048 0.000 0.735 345 A CB -0.416 18.613 19.000 0.048 0.000 0.802 345 A HN 0.427 nan 8.150 nan 0.000 0.467 346 G N -0.583 108.260 108.800 0.071 0.000 2.176 346 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.252 346 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.252 346 G C -0.032 174.899 174.900 0.052 0.000 1.024 346 G CA 0.107 45.241 45.100 0.057 0.000 0.755 346 G HN 0.339 nan 8.290 nan 0.000 0.507 347 I N 1.157 121.788 120.570 0.102 0.000 2.505 347 I HA 0.160 4.330 4.170 -0.000 0.000 0.287 347 I C -1.728 174.505 176.117 0.194 0.000 1.104 347 I CA -2.414 58.945 61.300 0.099 0.000 1.387 347 I CB 0.235 38.292 38.000 0.096 0.000 1.404 347 I HN -0.081 nan 8.210 nan 0.000 0.528 348 P HA 0.135 nan 4.420 nan 0.000 0.266 348 P C -0.852 176.592 177.300 0.240 0.000 1.215 348 P CA 0.330 63.312 63.100 -0.196 0.000 0.763 348 P CB -0.022 31.167 31.700 -0.853 0.000 0.806 349 F N 0.341 120.352 119.950 0.101 0.000 2.639 349 F HA 0.404 4.931 4.527 -0.000 0.000 0.326 349 F C -0.239 175.699 175.800 0.230 0.000 1.150 349 F CA -0.870 57.309 58.000 0.299 0.000 1.057 349 F CB 1.017 40.221 39.000 0.339 0.000 1.300 349 F HN -0.015 nan 8.300 nan 0.000 0.486 350 D N 1.583 122.126 120.400 0.238 0.000 2.271 350 D HA 0.138 4.778 4.640 -0.000 0.000 0.206 350 D C -0.034 176.275 176.300 0.014 0.000 0.967 350 D CA 1.386 55.445 54.000 0.098 0.000 0.867 350 D CB 0.548 41.495 40.800 0.246 0.000 0.960 350 D HN 0.592 nan 8.370 nan 0.000 0.509 351 T N 0.019 114.650 114.554 0.128 0.000 2.921 351 T HA 0.368 4.718 4.350 -0.000 0.000 0.297 351 T C -0.938 173.916 174.700 0.258 0.000 1.013 351 T CA -0.766 61.423 62.100 0.148 0.000 0.990 351 T CB 2.313 71.271 68.868 0.151 0.000 1.023 351 T HN -0.257 nan 8.240 nan 0.000 0.447 352 Q N 2.384 122.348 119.800 0.273 0.000 2.271 352 Q HA 0.648 4.988 4.340 -0.000 0.000 0.258 352 Q C -1.245 174.970 176.000 0.359 0.000 0.936 352 Q CA -0.500 55.519 55.803 0.360 0.000 0.909 352 Q CB 1.127 30.108 28.738 0.405 0.000 1.253 352 Q HN 0.522 nan 8.270 nan 0.000 0.440 353 V N 2.961 123.072 119.914 0.328 0.000 2.628 353 V HA 0.630 4.750 4.120 -0.000 0.000 0.306 353 V C -0.277 176.078 176.094 0.435 0.000 1.045 353 V CA -0.761 61.713 62.300 0.289 0.000 0.905 353 V CB 2.107 34.028 31.823 0.163 0.000 0.997 353 V HN 0.827 nan 8.190 nan 0.000 0.436 354 T N 2.888 117.656 114.554 0.357 0.000 2.840 354 T HA 0.315 4.664 4.350 -0.000 0.000 0.287 354 T C -0.558 174.385 174.700 0.405 0.000 0.991 354 T CA -0.312 62.052 62.100 0.439 0.000 0.964 354 T CB 1.172 70.296 68.868 0.427 0.000 0.954 354 T HN 0.844 nan 8.240 nan 0.000 0.438 355 D N 1.583 122.268 120.400 0.475 0.000 2.478 355 D HA 0.214 4.854 4.640 -0.000 0.000 0.274 355 D C 1.931 178.346 176.300 0.192 0.000 1.234 355 D CA -0.689 53.488 54.000 0.296 0.000 1.069 355 D CB 0.721 41.730 40.800 0.349 0.000 1.113 355 D HN 0.607 nan 8.370 nan 0.000 0.571 356 I N -1.178 119.319 120.570 -0.120 0.000 2.800 356 I HA -0.187 3.982 4.170 -0.000 0.000 0.266 356 I C 1.083 177.065 176.117 -0.226 0.000 1.249 356 I CA 1.094 62.222 61.300 -0.287 0.000 1.458 356 I CB -0.389 37.330 38.000 -0.467 0.000 1.093 356 I HN 0.174 nan 8.210 nan 0.000 0.466 357 D N 1.677 122.071 120.400 -0.010 0.000 2.264 357 D HA -0.274 4.366 4.640 -0.000 0.000 0.208 357 D C 2.050 178.181 176.300 -0.281 0.000 0.966 357 D CA 1.336 55.341 54.000 0.009 0.000 0.864 357 D CB -0.834 40.111 40.800 0.240 0.000 0.933 357 D HN 0.763 nan 8.370 nan 0.000 0.499 358 Y N 0.914 120.874 120.300 -0.567 0.000 2.293 358 Y HA 0.081 4.630 4.550 -0.000 0.000 0.291 358 Y C 1.402 177.094 175.900 -0.348 0.000 1.137 358 Y CA -0.329 57.162 58.100 -1.016 0.000 1.202 358 Y CB -0.648 37.464 38.460 -0.580 0.000 0.990 358 Y HN -0.233 nan 8.280 nan 0.000 0.537 359 M N 2.076 121.116 119.600 -0.933 0.000 2.240 359 M HA -0.032 4.448 4.480 -0.000 0.000 0.317 359 M C 0.335 176.487 176.300 -0.247 0.000 1.087 359 M CA 0.446 55.373 55.300 -0.623 0.000 1.176 359 M CB 0.314 32.496 32.600 -0.697 0.000 1.439 359 M HN 0.271 nan 8.290 nan 0.000 0.452 360 E N 2.157 122.264 120.200 -0.155 0.000 2.166 360 E HA -0.047 4.303 4.350 -0.000 0.000 0.279 360 E C -0.744 175.770 176.600 -0.143 0.000 1.095 360 E CA -0.217 56.118 56.400 -0.108 0.000 0.888 360 E CB 0.173 29.819 29.700 -0.090 0.000 1.041 360 E HN 0.581 nan 8.360 nan 0.000 0.414 361 D N 4.648 124.988 120.400 -0.100 0.000 2.751 361 D HA -0.221 4.419 4.640 -0.000 0.000 0.233 361 D C -0.277 175.958 176.300 -0.108 0.000 1.149 361 D CA 1.380 55.327 54.000 -0.087 0.000 0.682 361 D CB -0.761 39.983 40.800 -0.094 0.000 1.068 361 D HN 0.796 nan 8.370 nan 0.000 0.429 362 K N -2.070 118.247 120.400 -0.138 0.000 3.209 362 K HA -0.261 4.058 4.320 -0.000 0.000 0.289 362 K C -0.022 176.472 176.600 -0.176 0.000 1.191 362 K CA 1.154 57.355 56.287 -0.144 0.000 0.851 362 K CB -0.958 31.548 32.500 0.010 0.000 1.242 362 K HN 0.376 nan 8.250 nan 0.000 0.480 363 K N 1.689 121.938 120.400 -0.253 0.000 2.227 363 K HA 0.140 4.459 4.320 -0.000 0.000 0.280 363 K C -0.292 176.150 176.600 -0.263 0.000 1.041 363 K CA -0.877 55.238 56.287 -0.287 0.000 0.905 363 K CB 0.796 32.966 32.500 -0.550 0.000 1.068 363 K HN 0.002 nan 8.250 nan 0.000 0.470 364 D N 1.973 122.254 120.400 -0.200 0.000 2.571 364 D HA -0.103 4.536 4.640 -0.000 0.000 0.231 364 D C 0.030 176.089 176.300 -0.402 0.000 1.133 364 D CA 0.814 54.527 54.000 -0.479 0.000 0.862 364 D CB -0.001 40.506 40.800 -0.490 0.000 1.179 364 D HN 0.418 nan 8.370 nan 0.000 0.474 365 F N -1.321 118.294 119.950 -0.558 0.000 3.058 365 F HA -0.245 4.282 4.527 -0.000 0.000 0.295 365 F C 0.751 176.248 175.800 -0.505 0.000 0.875 365 F CA 0.704 58.133 58.000 -0.951 0.000 1.150 365 F CB -2.619 36.141 39.000 -0.399 0.000 1.175 365 F HN 0.320 nan 8.300 nan 0.000 0.599 366 T N -2.310 112.070 114.554 -0.290 0.000 2.864 366 T HA 0.781 5.131 4.350 -0.000 0.000 0.299 366 T C -0.876 174.037 174.700 0.355 0.000 1.166 366 T CA -0.608 61.580 62.100 0.147 0.000 1.007 366 T CB 3.118 72.000 68.868 0.023 0.000 1.219 366 T HN 0.661 nan 8.240 nan 0.000 0.506 367 Y N -0.703 119.798 120.300 0.336 0.000 2.576 367 Y HA 0.711 5.261 4.550 -0.000 0.000 0.346 367 Y C -0.669 175.331 175.900 0.167 0.000 1.018 367 Y CA -1.313 56.960 58.100 0.288 0.000 1.050 367 Y CB 1.344 40.091 38.460 0.478 0.000 1.280 367 Y HN 0.624 nan 8.280 nan 0.000 0.474 368 D N 2.755 123.274 120.400 0.198 0.000 2.346 368 D HA 0.006 4.646 4.640 -0.000 0.000 0.260 368 D C 0.508 176.893 176.300 0.142 0.000 1.252 368 D CA 0.307 54.387 54.000 0.133 0.000 0.895 368 D CB 1.130 42.075 40.800 0.242 0.000 1.097 368 D HN 0.692 nan 8.370 nan 0.000 0.489 369 Q N 2.595 122.353 119.800 -0.069 0.000 2.291 369 Q HA -0.052 4.288 4.340 -0.000 0.000 0.205 369 Q C 1.719 177.762 176.000 0.071 0.000 0.970 369 Q CA 0.695 56.454 55.803 -0.073 0.000 0.876 369 Q CB 0.214 28.874 28.738 -0.130 0.000 0.935 369 Q HN 0.431 nan 8.270 nan 0.000 0.455 370 V N 0.557 120.520 119.914 0.083 0.000 2.398 370 V HA -0.010 4.109 4.120 -0.000 0.000 0.236 370 V C 2.265 178.423 176.094 0.106 0.000 1.054 370 V CA 1.428 63.775 62.300 0.077 0.000 1.060 370 V CB -1.112 30.741 31.823 0.051 0.000 0.707 370 V HN 0.249 nan 8.190 nan 0.000 0.480 371 A N -0.815 122.102 122.820 0.162 0.000 1.972 371 A HA -0.100 4.219 4.320 -0.000 0.000 0.219 371 A C 1.578 179.210 177.584 0.080 0.000 1.169 371 A CA 1.747 53.879 52.037 0.158 0.000 0.635 371 A CB -0.498 18.684 19.000 0.303 0.000 0.810 371 A HN 0.519 nan 8.150 nan 0.000 0.446 372 F N -0.114 119.923 119.950 0.145 0.000 2.855 372 F HA 0.290 4.817 4.527 -0.000 0.000 0.317 372 F C 0.397 176.349 175.800 0.253 0.000 1.169 372 F CA -1.452 56.661 58.000 0.189 0.000 1.299 372 F CB -0.279 38.898 39.000 0.295 0.000 0.962 372 F HN 0.050 nan 8.300 nan 0.000 0.506 373 N N 1.366 120.222 118.700 0.260 0.000 2.359 373 N HA 0.177 4.916 4.740 -0.000 0.000 0.261 373 N C 1.219 176.818 175.510 0.148 0.000 1.267 373 N CA 1.640 54.818 53.050 0.213 0.000 0.864 373 N CB 0.623 39.171 38.487 0.102 0.000 1.063 373 N HN 0.605 nan 8.380 nan 0.000 0.474 374 G N 2.583 111.486 108.800 0.172 0.000 2.143 374 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.249 374 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.249 374 G C 0.833 175.763 174.900 0.050 0.000 0.981 374 G CA 0.361 45.511 45.100 0.084 0.000 0.665 374 G HN 0.595 nan 8.290 nan 0.000 0.528 375 L N 1.177 122.424 121.223 0.040 0.000 1.990 375 L HA 0.067 4.407 4.340 -0.000 0.000 0.213 375 L C 0.528 177.308 176.870 -0.151 0.000 1.072 375 L CA 3.359 58.161 54.840 -0.064 0.000 0.755 375 L CB -1.105 40.814 42.059 -0.233 0.000 0.889 375 L HN 0.215 nan 8.230 nan 0.000 0.432 376 P HA -0.202 nan 4.420 nan 0.000 0.216 376 P C 1.440 178.646 177.300 -0.157 0.000 1.153 376 P CA 1.459 64.435 63.100 -0.205 0.000 0.858 376 P CB -0.011 31.604 31.700 -0.142 0.000 0.789 377 Q N -1.845 117.906 119.800 -0.082 0.000 2.084 377 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 377 Q C 1.951 177.906 176.000 -0.075 0.000 0.978 377 Q CA 1.355 57.120 55.803 -0.062 0.000 0.844 377 Q CB -1.462 27.268 28.738 -0.013 0.000 0.898 377 Q HN 0.258 nan 8.270 nan 0.000 0.426 378 F N 0.105 119.934 119.950 -0.202 0.000 2.134 378 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 378 F C 1.757 177.350 175.800 -0.344 0.000 1.097 378 F CA 0.935 58.788 58.000 -0.244 0.000 1.264 378 F CB -0.263 38.592 39.000 -0.243 0.000 1.001 378 F HN -0.118 nan 8.300 nan 0.000 0.479 379 V N 0.340 119.906 119.914 -0.580 0.000 2.343 379 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 379 V C 2.407 178.028 176.094 -0.787 0.000 1.051 379 V CA 2.061 63.877 62.300 -0.808 0.000 1.036 379 V CB -0.932 30.520 31.823 -0.619 0.000 0.654 379 V HN 0.349 nan 8.190 nan 0.000 0.451 380 Q N 0.746 120.260 119.800 -0.477 0.000 2.112 380 Q HA -0.273 4.067 4.340 -0.000 0.000 0.206 380 Q C 1.826 177.669 176.000 -0.261 0.000 0.987 380 Q CA 2.501 58.120 55.803 -0.307 0.000 0.858 380 Q CB -0.690 27.949 28.738 -0.165 0.000 0.905 380 Q HN 0.760 nan 8.270 nan 0.000 0.420 381 D N -1.133 119.091 120.400 -0.294 0.000 2.123 381 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 381 D C 1.783 177.946 176.300 -0.229 0.000 0.992 381 D CA 1.383 55.259 54.000 -0.207 0.000 0.833 381 D CB -0.130 40.526 40.800 -0.239 0.000 0.954 381 D HN 0.358 nan 8.370 nan 0.000 0.455 382 L N -0.540 120.376 121.223 -0.512 0.000 2.012 382 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 382 L C 2.422 179.210 176.870 -0.137 0.000 1.073 382 L CA 1.600 56.191 54.840 -0.416 0.000 0.748 382 L CB -0.740 40.975 42.059 -0.574 0.000 0.891 382 L HN 0.318 nan 8.230 nan 0.000 0.431 383 H N -0.870 118.079 119.070 -0.200 0.000 2.387 383 H HA -0.160 4.396 4.556 -0.000 0.000 0.299 383 H C 1.789 177.055 175.328 -0.104 0.000 1.090 383 H CA 0.788 56.745 56.048 -0.153 0.000 1.332 383 H CB 0.085 29.758 29.762 -0.149 0.000 1.386 383 H HN 0.319 nan 8.280 nan 0.000 0.516 384 D N 0.101 120.524 120.400 0.039 0.000 2.221 384 D HA -0.119 4.520 4.640 -0.000 0.000 0.204 384 D C 1.376 177.615 176.300 -0.100 0.000 0.982 384 D CA 1.297 55.284 54.000 -0.021 0.000 0.857 384 D CB -0.182 40.611 40.800 -0.012 0.000 0.934 384 D HN 0.527 nan 8.370 nan 0.000 0.475 385 H N -1.421 117.591 119.070 -0.097 0.000 2.539 385 H HA 0.339 4.895 4.556 -0.000 0.000 0.269 385 H C 1.380 176.647 175.328 -0.102 0.000 0.980 385 H CA 0.616 56.602 56.048 -0.103 0.000 1.152 385 H CB 0.479 30.160 29.762 -0.135 0.000 1.407 385 H HN 0.129 nan 8.280 nan 0.000 0.564 386 G N 0.570 109.364 108.800 -0.010 0.000 2.147 386 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.244 386 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.244 386 G C 0.067 174.922 174.900 -0.074 0.000 1.005 386 G CA 0.006 45.077 45.100 -0.049 0.000 0.713 386 G HN 0.443 nan 8.290 nan 0.000 0.515 387 Q N -0.739 119.015 119.800 -0.077 0.000 2.240 387 Q HA 0.699 5.038 4.340 -0.000 0.000 0.260 387 Q C -0.086 175.848 176.000 -0.109 0.000 1.018 387 Q CA -0.844 54.880 55.803 -0.132 0.000 0.898 387 Q CB 1.294 29.902 28.738 -0.217 0.000 1.301 387 Q HN 0.096 nan 8.270 nan 0.000 0.469 388 K N 0.706 121.010 120.400 -0.159 0.000 2.281 388 K HA 0.400 4.720 4.320 -0.000 0.000 0.242 388 K C -1.454 175.165 176.600 0.031 0.000 0.971 388 K CA -0.742 55.413 56.287 -0.220 0.000 0.834 388 K CB 1.541 33.573 32.500 -0.779 0.000 1.181 388 K HN 0.523 nan 8.250 nan 0.000 0.435 389 Y N 0.682 120.956 120.300 -0.043 0.000 2.350 389 Y HA 0.394 4.943 4.550 -0.000 0.000 0.338 389 Y C -1.140 174.864 175.900 0.173 0.000 0.961 389 Y CA -1.024 57.106 58.100 0.050 0.000 1.100 389 Y CB 1.225 39.686 38.460 0.002 0.000 1.179 389 Y HN 0.202 nan 8.280 nan 0.000 0.454 390 V N 8.070 127.913 119.914 -0.118 0.000 2.495 390 V HA 0.495 4.615 4.120 -0.000 0.000 0.298 390 V C -0.107 175.785 176.094 -0.335 0.000 1.031 390 V CA -0.809 61.460 62.300 -0.053 0.000 0.871 390 V CB 1.522 33.480 31.823 0.224 0.000 0.988 390 V HN 0.699 nan 8.190 nan 0.000 0.432 391 I N 2.582 122.969 120.570 -0.306 0.000 2.648 391 I HA 0.638 4.808 4.170 -0.000 0.000 0.304 391 I C -0.251 175.848 176.117 -0.030 0.000 1.009 391 I CA -0.760 60.340 61.300 -0.334 0.000 1.114 391 I CB 1.962 39.624 38.000 -0.563 0.000 1.293 391 I HN 0.514 nan 8.210 nan 0.000 0.449 392 I N 5.034 125.622 120.570 0.029 0.000 2.519 392 I HA 0.377 4.546 4.170 -0.000 0.000 0.287 392 I C -0.970 175.054 176.117 -0.155 0.000 1.047 392 I CA -0.440 60.735 61.300 -0.208 0.000 1.381 392 I CB 0.962 38.588 38.000 -0.624 0.000 1.417 392 I HN 0.540 nan 8.210 nan 0.000 0.540 393 L N 6.691 127.785 121.223 -0.215 0.000 2.410 393 L HA 0.451 4.791 4.340 -0.000 0.000 0.270 393 L C -1.117 175.716 176.870 -0.061 0.000 0.983 393 L CA -0.877 53.871 54.840 -0.154 0.000 0.822 393 L CB 1.938 43.951 42.059 -0.076 0.000 1.285 393 L HN 0.522 nan 8.230 nan 0.000 0.409 394 D N 3.670 124.056 120.400 -0.023 0.000 2.229 394 D HA 0.280 4.920 4.640 -0.000 0.000 0.249 394 D C -1.667 174.759 176.300 0.210 0.000 1.027 394 D CA -1.391 52.641 54.000 0.054 0.000 0.923 394 D CB 2.080 42.903 40.800 0.037 0.000 1.174 394 D HN 0.243 nan 8.370 nan 0.000 0.443 395 P HA -0.012 nan 4.420 nan 0.000 0.218 395 P C 0.146 177.621 177.300 0.292 0.000 1.152 395 P CA 0.580 63.878 63.100 0.329 0.000 0.826 395 P CB 0.266 32.250 31.700 0.474 0.000 0.790 396 A N 0.911 123.768 122.820 0.061 0.000 2.440 396 A HA 0.390 4.710 4.320 -0.000 0.000 0.251 396 A C 0.196 177.744 177.584 -0.059 0.000 1.089 396 A CA 0.061 51.960 52.037 -0.229 0.000 0.779 396 A CB -0.388 18.257 19.000 -0.591 0.000 1.022 396 A HN -0.010 nan 8.150 nan 0.000 0.492 397 I N 2.152 122.683 120.570 -0.065 0.000 2.378 397 I HA 0.212 4.382 4.170 -0.000 0.000 0.291 397 I C 0.879 176.981 176.117 -0.025 0.000 0.992 397 I CA -0.120 61.270 61.300 0.152 0.000 1.154 397 I CB 1.238 39.486 38.000 0.414 0.000 1.315 397 I HN 0.694 nan 8.210 nan 0.000 0.448 398 S N 5.866 121.606 115.700 0.067 0.000 2.552 398 S HA 0.121 4.591 4.470 -0.000 0.000 0.289 398 S C 1.196 175.640 174.600 -0.261 0.000 1.304 398 S CA -0.282 57.848 58.200 -0.117 0.000 1.063 398 S CB 0.196 63.283 63.200 -0.188 0.000 0.848 398 S HN 0.521 nan 8.310 nan 0.000 0.499 399 I N 2.698 122.994 120.570 -0.457 0.000 3.812 399 I HA 0.463 4.632 4.170 -0.000 0.000 0.320 399 I C 0.891 176.668 176.117 -0.567 0.000 1.276 399 I CA -0.505 60.291 61.300 -0.840 0.000 1.164 399 I CB -0.490 37.163 38.000 -0.578 0.000 1.009 399 I HN 0.511 nan 8.210 nan 0.000 0.431 400 G N 0.943 109.553 108.800 -0.317 0.000 2.705 400 G HA2 0.645 4.605 3.960 -0.000 0.000 0.299 400 G HA3 0.645 4.605 3.960 -0.000 0.000 0.299 400 G C -0.602 174.238 174.900 -0.100 0.000 1.315 400 G CA -1.018 43.974 45.100 -0.180 0.000 1.045 400 G HN 0.168 nan 8.290 nan 0.000 0.517 401 R N -0.666 119.800 120.500 -0.057 0.000 2.596 401 R HA 0.469 4.809 4.340 -0.000 0.000 0.267 401 R C 0.725 177.003 176.300 -0.037 0.000 1.026 401 R CA -0.678 55.423 56.100 0.001 0.000 1.087 401 R CB 1.539 31.850 30.300 0.018 0.000 1.132 401 R HN 0.447 nan 8.270 nan 0.000 0.531 402 R N 0.168 120.672 120.500 0.007 0.000 2.743 402 R HA 0.183 4.523 4.340 -0.000 0.000 0.167 402 R C 1.670 177.964 176.300 -0.011 0.000 0.873 402 R CA 0.251 56.339 56.100 -0.020 0.000 1.366 402 R CB -0.305 30.016 30.300 0.035 0.000 0.940 402 R HN 0.696 nan 8.270 nan 0.000 0.545 403 A N 1.119 123.936 122.820 -0.004 0.000 1.869 403 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 403 A C 1.348 178.933 177.584 0.001 0.000 1.203 403 A CA 1.946 53.980 52.037 -0.005 0.000 0.638 403 A CB -0.777 18.223 19.000 -0.001 0.000 0.831 403 A HN 0.591 nan 8.150 nan 0.000 0.450 404 N N -1.591 117.116 118.700 0.011 0.000 2.547 404 N HA 0.342 5.082 4.740 -0.000 0.000 0.301 404 N C 1.090 176.609 175.510 0.015 0.000 1.328 404 N CA 0.367 53.424 53.050 0.013 0.000 0.932 404 N CB -0.066 38.431 38.487 0.017 0.000 1.104 404 N HN 0.106 nan 8.380 nan 0.000 0.548 405 G N -0.614 108.197 108.800 0.018 0.000 3.079 405 G HA2 -0.075 3.884 3.960 -0.000 0.000 0.205 405 G HA3 -0.075 3.884 3.960 -0.000 0.000 0.205 405 G C 0.061 174.984 174.900 0.039 0.000 1.203 405 G CA 0.399 45.514 45.100 0.024 0.000 0.929 405 G HN 0.446 nan 8.290 nan 0.000 0.498 406 T N 1.736 116.315 114.554 0.041 0.000 2.902 406 T HA 0.289 4.638 4.350 -0.000 0.000 0.301 406 T C 1.151 175.906 174.700 0.091 0.000 1.012 406 T CA 0.416 62.552 62.100 0.060 0.000 1.151 406 T CB 0.576 69.476 68.868 0.054 0.000 0.946 406 T HN 0.418 nan 8.240 nan 0.000 0.542 407 T N 2.204 116.825 114.554 0.111 0.000 2.926 407 T HA 0.129 4.479 4.350 -0.000 0.000 0.307 407 T C -0.294 174.550 174.700 0.239 0.000 1.059 407 T CA -0.653 61.545 62.100 0.163 0.000 1.122 407 T CB 0.185 69.140 68.868 0.145 0.000 0.972 407 T HN 0.469 nan 8.240 nan 0.000 0.545 408 Y N 2.782 123.161 120.300 0.130 0.000 2.477 408 Y HA 0.546 5.096 4.550 -0.000 0.000 0.349 408 Y C 0.975 177.006 175.900 0.220 0.000 0.977 408 Y CA -1.838 56.354 58.100 0.152 0.000 1.214 408 Y CB 0.076 38.612 38.460 0.126 0.000 1.124 408 Y HN 0.881 nan 8.280 nan 0.000 0.521 409 A N 3.766 126.647 122.820 0.100 0.000 2.015 409 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 409 A C 2.090 179.638 177.584 -0.060 0.000 1.163 409 A CA 2.096 54.150 52.037 0.028 0.000 0.646 409 A CB -0.751 18.281 19.000 0.054 0.000 0.806 409 A HN 0.787 nan 8.150 nan 0.000 0.448 410 T N -1.443 112.939 114.554 -0.288 0.000 2.684 410 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 410 T C 1.794 176.582 174.700 0.146 0.000 1.036 410 T CA 1.808 63.819 62.100 -0.148 0.000 1.148 410 T CB -0.425 68.269 68.868 -0.290 0.000 0.863 410 T HN 0.619 nan 8.240 nan 0.000 0.436 411 Y N 2.112 122.273 120.300 -0.232 0.000 2.163 411 Y HA -0.114 4.436 4.550 -0.000 0.000 0.288 411 Y C 2.416 178.432 175.900 0.194 0.000 1.136 411 Y CA 1.288 59.467 58.100 0.132 0.000 1.147 411 Y CB -0.216 38.303 38.460 0.097 0.000 0.987 411 Y HN 0.043 nan 8.280 nan 0.000 0.509 412 E N 0.493 120.714 120.200 0.034 0.000 2.077 412 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 412 E C 2.298 178.839 176.600 -0.098 0.000 0.989 412 E CA 1.336 57.697 56.400 -0.065 0.000 0.800 412 E CB -0.347 29.375 29.700 0.037 0.000 0.746 412 E HN 0.544 nan 8.360 nan 0.000 0.452 413 R N -0.190 120.304 120.500 -0.010 0.000 2.115 413 R HA -0.039 4.301 4.340 -0.000 0.000 0.230 413 R C 2.405 178.610 176.300 -0.158 0.000 1.111 413 R CA 1.090 57.192 56.100 0.003 0.000 0.976 413 R CB -0.402 29.979 30.300 0.134 0.000 0.870 413 R HN 0.190 nan 8.270 nan 0.000 0.445 414 G N 1.039 109.664 108.800 -0.291 0.000 2.402 414 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 414 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 414 G C 1.206 175.492 174.900 -1.024 0.000 1.162 414 G CA 0.416 44.814 45.100 -1.171 0.000 0.777 414 G HN 0.209 nan 8.290 nan 0.000 0.539 415 N N 0.620 119.051 118.700 -0.449 0.000 2.084 415 N HA -0.094 4.646 4.740 -0.000 0.000 0.190 415 N C 2.417 177.607 175.510 -0.533 0.000 1.030 415 N CA 1.668 54.519 53.050 -0.332 0.000 0.849 415 N CB -0.832 37.491 38.487 -0.274 0.000 1.012 415 N HN 0.200 nan 8.380 nan 0.000 0.423 416 T N 1.237 115.520 114.554 -0.451 0.000 2.737 416 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 416 T C 1.660 175.950 174.700 -0.683 0.000 1.040 416 T CA 1.266 63.093 62.100 -0.456 0.000 1.142 416 T CB -0.140 68.581 68.868 -0.246 0.000 0.861 416 T HN 0.392 nan 8.240 nan 0.000 0.456 417 Q N -0.678 118.745 119.800 -0.628 0.000 2.360 417 Q HA 0.119 4.458 4.340 -0.000 0.000 0.202 417 Q C -0.495 175.192 176.000 -0.522 0.000 0.915 417 Q CA -0.085 55.419 55.803 -0.497 0.000 0.943 417 Q CB 0.135 28.667 28.738 -0.342 0.000 1.064 417 Q HN 0.704 nan 8.270 nan 0.000 0.511 418 H N -1.846 116.940 119.070 -0.473 0.000 2.748 418 H HA -0.115 4.441 4.556 -0.000 0.000 0.322 418 H C 0.502 175.480 175.328 -0.584 0.000 1.208 418 H CA 0.321 56.093 56.048 -0.459 0.000 1.151 418 H CB -1.862 27.753 29.762 -0.245 0.000 1.505 418 H HN 0.220 nan 8.280 nan 0.000 0.429 419 V N -3.776 115.550 119.914 -0.980 0.000 3.647 419 V HA 0.147 4.267 4.120 -0.000 0.000 0.279 419 V C 0.794 176.441 176.094 -0.744 0.000 1.314 419 V CA -0.166 61.572 62.300 -0.937 0.000 1.125 419 V CB -0.349 30.694 31.823 -1.300 0.000 0.907 419 V HN 0.412 nan 8.190 nan 0.000 0.434 420 W N -0.174 120.961 121.300 -0.274 0.000 2.375 420 W HA 0.671 5.331 4.660 -0.000 0.000 0.336 420 W C 0.279 176.733 176.519 -0.110 0.000 1.160 420 W CA -1.309 55.920 57.345 -0.193 0.000 1.266 420 W CB 0.710 30.091 29.460 -0.131 0.000 1.195 420 W HN -0.040 nan 8.180 nan 0.000 0.599 421 I N 3.807 124.504 120.570 0.213 0.000 2.618 421 I HA -0.089 4.080 4.170 -0.000 0.000 0.284 421 I C 0.259 176.451 176.117 0.126 0.000 1.146 421 I CA 0.205 61.582 61.300 0.129 0.000 1.425 421 I CB -0.105 37.972 38.000 0.129 0.000 1.383 421 I HN 0.406 nan 8.210 nan 0.000 0.562 422 N N 5.910 124.656 118.700 0.076 0.000 2.472 422 N HA 0.299 5.039 4.740 -0.000 0.000 0.289 422 N C -0.247 175.282 175.510 0.031 0.000 1.156 422 N CA -0.676 52.409 53.050 0.058 0.000 0.940 422 N CB 0.888 39.401 38.487 0.042 0.000 1.200 422 N HN 0.492 nan 8.380 nan 0.000 0.511 423 E N -0.341 119.871 120.200 0.020 0.000 2.451 423 E HA -0.030 4.320 4.350 -0.000 0.000 0.256 423 E C 0.912 177.514 176.600 0.003 0.000 1.294 423 E CA 0.010 56.411 56.400 0.002 0.000 1.005 423 E CB 0.371 30.069 29.700 -0.003 0.000 0.990 423 E HN 0.646 nan 8.360 nan 0.000 0.505 424 S N 0.631 116.329 115.700 -0.005 0.000 2.442 424 S HA -0.177 4.293 4.470 -0.000 0.000 0.236 424 S C 1.281 175.881 174.600 -0.000 0.000 1.007 424 S CA 1.312 59.511 58.200 -0.002 0.000 0.965 424 S CB -0.300 62.896 63.200 -0.008 0.000 0.773 424 S HN 0.652 nan 8.310 nan 0.000 0.504 425 D N 1.441 121.840 120.400 -0.001 0.000 2.350 425 D HA 0.077 4.717 4.640 -0.000 0.000 0.216 425 D C 1.534 177.833 176.300 -0.000 0.000 0.968 425 D CA 0.830 54.829 54.000 -0.001 0.000 0.894 425 D CB -1.230 39.570 40.800 -0.001 0.000 0.909 425 D HN 0.638 nan 8.370 nan 0.000 0.520 426 G N -0.305 108.497 108.800 0.003 0.000 2.155 426 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.257 426 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.257 426 G C 0.937 175.835 174.900 -0.004 0.000 0.983 426 G CA 1.122 46.223 45.100 0.002 0.000 0.676 426 G HN 0.770 nan 8.290 nan 0.000 0.528 427 S N -2.529 113.171 115.700 0.001 0.000 2.691 427 S HA 0.313 4.783 4.470 -0.000 0.000 0.258 427 S C 0.566 175.180 174.600 0.023 0.000 1.078 427 S CA 0.955 59.154 58.200 -0.001 0.000 1.000 427 S CB 0.676 63.868 63.200 -0.013 0.000 0.942 427 S HN 0.567 nan 8.310 nan 0.000 0.521 428 T N 5.198 119.767 114.554 0.026 0.000 2.743 428 T HA 0.512 4.861 4.350 -0.000 0.000 0.293 428 T C -2.979 171.750 174.700 0.049 0.000 0.945 428 T CA -1.344 60.778 62.100 0.035 0.000 1.030 428 T CB 1.186 70.065 68.868 0.019 0.000 0.912 428 T HN 0.089 nan 8.240 nan 0.000 0.483 429 P HA 0.196 nan 4.420 nan 0.000 0.267 429 P C -0.052 177.263 177.300 0.024 0.000 1.205 429 P CA -0.397 62.746 63.100 0.072 0.000 0.765 429 P CB 0.437 32.157 31.700 0.033 0.000 0.828 430 I N 4.003 124.599 120.570 0.042 0.000 2.575 430 I HA 0.162 4.332 4.170 -0.000 0.000 0.285 430 I C -0.147 175.998 176.117 0.046 0.000 1.085 430 I CA -0.122 61.197 61.300 0.032 0.000 1.403 430 I CB 0.313 38.327 38.000 0.022 0.000 1.409 430 I HN 0.131 nan 8.210 nan 0.000 0.557 431 I N 7.170 127.754 120.570 0.023 0.000 2.389 431 I HA 0.429 4.599 4.170 -0.000 0.000 0.288 431 I C 0.493 176.647 176.117 0.061 0.000 0.999 431 I CA -0.168 61.133 61.300 0.003 0.000 1.129 431 I CB 0.624 38.594 38.000 -0.050 0.000 1.288 431 I HN 0.645 nan 8.210 nan 0.000 0.444 432 G N 4.940 113.827 108.800 0.144 0.000 3.122 432 G HA2 0.587 4.547 3.960 -0.000 0.000 0.180 432 G HA3 0.587 4.547 3.960 -0.000 0.000 0.180 432 G C -1.108 173.786 174.900 -0.010 0.000 1.279 432 G CA -0.264 44.929 45.100 0.156 0.000 0.987 432 G HN 0.584 nan 8.290 nan 0.000 0.589 433 E N -1.172 118.995 120.200 -0.056 0.000 2.311 433 E HA 0.512 4.862 4.350 -0.000 0.000 0.281 433 E C -1.129 175.201 176.600 -0.450 0.000 0.905 433 E CA -0.569 55.734 56.400 -0.161 0.000 0.778 433 E CB 2.191 31.877 29.700 -0.022 0.000 1.240 433 E HN 0.312 nan 8.360 nan 0.000 0.410 434 V N 2.295 121.870 119.914 -0.565 0.000 3.703 434 V HA 0.337 4.456 4.120 -0.000 0.000 0.306 434 V C 0.757 176.539 176.094 -0.519 0.000 1.407 434 V CA -0.898 60.733 62.300 -1.116 0.000 0.974 434 V CB -0.078 31.180 31.823 -0.942 0.000 1.188 434 V HN 0.911 nan 8.190 nan 0.000 0.477 435 W N 1.095 122.298 121.300 -0.163 0.000 2.317 435 W HA -0.068 4.592 4.660 -0.000 0.000 0.318 435 W C -0.306 176.218 176.519 0.007 0.000 1.227 435 W CA 2.015 59.399 57.345 0.065 0.000 1.269 435 W CB -1.455 28.012 29.460 0.012 0.000 1.155 435 W HN 0.499 nan 8.180 nan 0.000 0.484 436 P HA 0.174 nan 4.420 nan 0.000 0.237 436 P C 0.739 178.027 177.300 -0.019 0.000 1.178 436 P CA 2.026 65.132 63.100 0.011 0.000 0.766 436 P CB 0.470 32.118 31.700 -0.087 0.000 0.876 437 G N -0.268 108.520 108.800 -0.020 0.000 2.295 437 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.195 437 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.195 437 G C -1.484 173.355 174.900 -0.103 0.000 1.269 437 G CA -0.795 44.285 45.100 -0.033 0.000 1.170 437 G HN 0.133 nan 8.290 nan 0.000 0.511 438 L N 2.176 123.336 121.223 -0.104 0.000 2.540 438 L HA 0.502 4.841 4.340 -0.000 0.000 0.276 438 L C 1.347 178.086 176.870 -0.217 0.000 1.212 438 L CA 1.323 56.080 54.840 -0.139 0.000 0.893 438 L CB 0.238 42.227 42.059 -0.117 0.000 1.138 438 L HN 1.167 nan 8.230 nan 0.000 0.491 439 T N 0.702 115.091 114.554 -0.275 0.000 2.916 439 T HA 0.728 5.078 4.350 -0.000 0.000 0.305 439 T C -0.342 174.063 174.700 -0.493 0.000 1.119 439 T CA -0.905 60.950 62.100 -0.407 0.000 1.008 439 T CB 1.328 69.874 68.868 -0.536 0.000 1.129 439 T HN 0.403 nan 8.240 nan 0.000 0.480 440 V N 0.176 119.750 119.914 -0.565 0.000 2.997 440 V HA 0.723 4.843 4.120 -0.000 0.000 0.311 440 V C -1.189 174.561 176.094 -0.574 0.000 1.066 440 V CA -1.120 60.818 62.300 -0.603 0.000 1.039 440 V CB 0.287 31.444 31.823 -1.110 0.000 1.081 440 V HN 0.890 nan 8.190 nan 0.000 0.467 441 Y N 1.546 121.790 120.300 -0.093 0.000 2.341 441 Y HA 0.588 5.137 4.550 -0.000 0.000 0.338 441 Y C -2.440 173.604 175.900 0.239 0.000 0.965 441 Y CA -2.611 55.539 58.100 0.083 0.000 1.108 441 Y CB 1.967 40.438 38.460 0.019 0.000 1.180 441 Y HN 0.488 nan 8.280 nan 0.000 0.458 442 P HA -0.020 nan 4.420 nan 0.000 0.268 442 P C -0.559 176.577 177.300 -0.274 0.000 1.204 442 P CA -0.066 62.925 63.100 -0.182 0.000 0.768 442 P CB 0.695 31.983 31.700 -0.686 0.000 0.842 443 D N 2.432 122.627 120.400 -0.341 0.000 2.468 443 D HA 0.133 4.773 4.640 -0.000 0.000 0.218 443 D C 0.121 176.135 176.300 -0.476 0.000 1.155 443 D CA -0.293 53.531 54.000 -0.293 0.000 0.924 443 D CB -0.480 40.204 40.800 -0.193 0.000 1.029 443 D HN 0.138 nan 8.370 nan 0.000 0.515 444 F N 0.978 120.652 119.950 -0.460 0.000 2.699 444 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 444 F C 2.632 178.061 175.800 -0.619 0.000 1.154 444 F CA 0.924 58.611 58.000 -0.521 0.000 1.457 444 F CB -0.245 38.352 39.000 -0.671 0.000 1.106 444 F HN 0.398 nan 8.300 nan 0.000 0.585 445 T N -2.814 111.348 114.554 -0.653 0.000 3.085 445 T HA -0.070 4.280 4.350 -0.000 0.000 0.263 445 T C 0.844 175.187 174.700 -0.595 0.000 1.127 445 T CA 0.142 61.575 62.100 -1.111 0.000 1.103 445 T CB -0.454 67.401 68.868 -1.689 0.000 0.921 445 T HN 0.024 nan 8.240 nan 0.000 0.510 446 N N 2.509 120.992 118.700 -0.361 0.000 2.414 446 N HA 0.279 5.019 4.740 -0.000 0.000 0.256 446 N C -1.766 173.660 175.510 -0.140 0.000 1.029 446 N CA -2.649 50.277 53.050 -0.206 0.000 0.948 446 N CB 1.909 40.272 38.487 -0.207 0.000 1.102 446 N HN -0.038 nan 8.380 nan 0.000 0.496 447 P HA -0.171 nan 4.420 nan 0.000 0.217 447 P C 0.421 177.705 177.300 -0.027 0.000 1.148 447 P CA 1.526 64.608 63.100 -0.031 0.000 0.834 447 P CB 0.325 32.021 31.700 -0.006 0.000 0.783 448 N N -1.078 117.588 118.700 -0.056 0.000 2.166 448 N HA -0.138 4.601 4.740 -0.000 0.000 0.186 448 N C 2.031 177.507 175.510 -0.056 0.000 1.019 448 N CA 0.917 53.930 53.050 -0.062 0.000 0.856 448 N CB -0.617 37.811 38.487 -0.098 0.000 0.993 448 N HN 0.189 nan 8.380 nan 0.000 0.426 449 C N 0.711 119.942 119.300 -0.117 0.000 2.440 449 C HA 0.063 4.523 4.460 -0.000 0.000 0.278 449 C C 2.434 177.518 174.990 0.157 0.000 1.295 449 C CA 0.215 59.178 59.018 -0.093 0.000 1.738 449 C CB -1.094 26.447 27.740 -0.331 0.000 1.987 449 C HN 0.368 nan 8.230 nan 0.000 0.492 450 I N 1.224 121.849 120.570 0.093 0.000 2.179 450 I HA -0.177 3.992 4.170 -0.000 0.000 0.242 450 I C 2.181 178.415 176.117 0.194 0.000 1.088 450 I CA 1.934 63.341 61.300 0.177 0.000 1.357 450 I CB -0.588 37.461 38.000 0.082 0.000 1.051 450 I HN 0.336 nan 8.210 nan 0.000 0.409 451 D N -0.069 120.404 120.400 0.121 0.000 2.144 451 D HA -0.238 4.401 4.640 -0.000 0.000 0.199 451 D C 1.692 178.054 176.300 0.103 0.000 0.984 451 D CA 1.139 55.190 54.000 0.084 0.000 0.834 451 D CB -0.412 40.414 40.800 0.044 0.000 0.955 451 D HN 0.532 nan 8.370 nan 0.000 0.465 452 W N 0.938 122.212 121.300 -0.044 0.000 2.358 452 W HA -0.145 4.514 4.660 -0.000 0.000 0.303 452 W C 2.310 178.840 176.519 0.018 0.000 1.208 452 W CA 1.039 58.340 57.345 -0.073 0.000 1.274 452 W CB -0.610 28.751 29.460 -0.166 0.000 1.138 452 W HN 0.046 nan 8.180 nan 0.000 0.515 453 W N 1.265 122.413 121.300 -0.254 0.000 2.355 453 W HA -0.209 4.451 4.660 -0.000 0.000 0.309 453 W C 2.178 178.508 176.519 -0.315 0.000 1.206 453 W CA 2.448 59.533 57.345 -0.432 0.000 1.284 453 W CB -0.778 28.774 29.460 0.153 0.000 1.145 453 W HN 0.032 nan 8.180 nan 0.000 0.502 454 A N 0.714 123.510 122.820 -0.041 0.000 1.908 454 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 454 A C 1.683 179.115 177.584 -0.254 0.000 1.181 454 A CA 2.224 54.183 52.037 -0.130 0.000 0.627 454 A CB -1.404 17.586 19.000 -0.018 0.000 0.818 454 A HN 0.486 nan 8.150 nan 0.000 0.445 455 N N -0.332 118.212 118.700 -0.260 0.000 2.069 455 N HA -0.172 4.568 4.740 -0.000 0.000 0.191 455 N C 1.695 176.934 175.510 -0.452 0.000 1.031 455 N CA 1.764 54.642 53.050 -0.287 0.000 0.852 455 N CB -0.152 38.204 38.487 -0.219 0.000 1.018 455 N HN 0.427 nan 8.380 nan 0.000 0.423 456 E N -0.054 119.677 120.200 -0.782 0.000 2.077 456 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 456 E C 2.260 178.198 176.600 -1.102 0.000 0.989 456 E CA 0.880 56.559 56.400 -1.203 0.000 0.800 456 E CB -0.777 27.710 29.700 -2.021 0.000 0.746 456 E HN 0.477 nan 8.360 nan 0.000 0.452 457 C N 0.578 119.380 119.300 -0.830 0.000 2.425 457 C HA -0.079 4.380 4.460 -0.000 0.000 0.277 457 C C 3.120 178.114 174.990 0.006 0.000 1.280 457 C CA 1.241 60.110 59.018 -0.248 0.000 1.744 457 C CB -0.896 26.718 27.740 -0.210 0.000 1.989 457 C HN 0.460 nan 8.230 nan 0.000 0.491 458 S N 0.230 115.838 115.700 -0.153 0.000 2.387 458 S HA -0.028 4.442 4.470 -0.000 0.000 0.226 458 S C 1.700 176.273 174.600 -0.045 0.000 1.026 458 S CA 1.137 59.265 58.200 -0.120 0.000 0.972 458 S CB -0.313 62.789 63.200 -0.163 0.000 0.814 458 S HN 0.583 nan 8.310 nan 0.000 0.477 459 I N 0.321 120.843 120.570 -0.079 0.000 2.179 459 I HA -0.111 4.059 4.170 -0.000 0.000 0.242 459 I C 2.163 178.357 176.117 0.129 0.000 1.088 459 I CA 1.396 62.687 61.300 -0.014 0.000 1.357 459 I CB -0.407 37.549 38.000 -0.073 0.000 1.051 459 I HN 0.325 nan 8.210 nan 0.000 0.409 460 F N 0.962 120.926 119.950 0.024 0.000 2.171 460 F HA -0.271 4.255 4.527 -0.000 0.000 0.300 460 F C 2.664 178.629 175.800 0.276 0.000 1.090 460 F CA 1.744 59.871 58.000 0.211 0.000 1.293 460 F CB -0.735 38.489 39.000 0.375 0.000 1.013 460 F HN 0.161 nan 8.300 nan 0.000 0.486 461 H N -0.042 119.114 119.070 0.142 0.000 2.426 461 H HA -0.167 4.389 4.556 -0.000 0.000 0.298 461 H C 2.033 177.249 175.328 -0.187 0.000 1.107 461 H CA 1.753 57.706 56.048 -0.159 0.000 1.298 461 H CB 0.161 29.678 29.762 -0.407 0.000 1.377 461 H HN 0.314 nan 8.280 nan 0.000 0.519 462 Q N 0.623 120.374 119.800 -0.082 0.000 2.061 462 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 462 Q C 2.251 178.166 176.000 -0.141 0.000 0.984 462 Q CA 1.299 57.042 55.803 -0.100 0.000 0.846 462 Q CB -0.308 28.416 28.738 -0.023 0.000 0.902 462 Q HN 0.661 nan 8.270 nan 0.000 0.421 463 E N -0.202 119.920 120.200 -0.129 0.000 2.046 463 E HA -0.050 4.300 4.350 -0.000 0.000 0.190 463 E C -0.206 176.224 176.600 -0.284 0.000 0.982 463 E CA 0.565 56.902 56.400 -0.105 0.000 0.800 463 E CB 0.577 30.290 29.700 0.023 0.000 0.756 463 E HN -0.025 nan 8.360 nan 0.000 0.449 464 V N 1.809 121.404 119.914 -0.532 0.000 2.447 464 V HA 0.138 4.258 4.120 -0.000 0.000 0.292 464 V C -0.753 175.124 176.094 -0.361 0.000 1.021 464 V CA -0.424 61.584 62.300 -0.487 0.000 0.850 464 V CB 1.514 32.937 31.823 -0.667 0.000 1.005 464 V HN 0.125 nan 8.190 nan 0.000 0.426 465 Q N 4.293 123.879 119.800 -0.355 0.000 3.184 465 Q HA 0.195 4.535 4.340 -0.000 0.000 0.288 465 Q C -0.292 175.688 176.000 -0.033 0.000 1.412 465 Q CA -0.250 55.235 55.803 -0.530 0.000 0.991 465 Q CB -0.132 28.390 28.738 -0.361 0.000 1.688 465 Q HN 0.817 nan 8.270 nan 0.000 0.554 466 Y N -2.010 118.406 120.300 0.193 0.000 2.385 466 Y HA 0.091 4.641 4.550 -0.000 0.000 0.346 466 Y C 0.556 176.781 175.900 0.542 0.000 1.270 466 Y CA -0.382 57.931 58.100 0.355 0.000 1.472 466 Y CB 0.701 39.275 38.460 0.190 0.000 1.354 466 Y HN 0.114 nan 8.280 nan 0.000 0.611 467 D N 0.442 121.120 120.400 0.464 0.000 2.423 467 D HA 0.250 4.890 4.640 -0.000 0.000 0.212 467 D C 0.459 176.881 176.300 0.203 0.000 1.060 467 D CA 0.795 54.884 54.000 0.148 0.000 0.872 467 D CB 1.019 41.680 40.800 -0.232 0.000 1.012 467 D HN 0.829 nan 8.370 nan 0.000 0.503 468 G N 0.162 109.278 108.800 0.527 0.000 2.660 468 G HA2 0.605 4.565 3.960 -0.000 0.000 0.290 468 G HA3 0.605 4.565 3.960 -0.000 0.000 0.290 468 G C -1.826 173.348 174.900 0.458 0.000 1.432 468 G CA -0.605 44.833 45.100 0.564 0.000 0.807 468 G HN -0.014 nan 8.290 nan 0.000 0.485 469 L N -0.250 121.174 121.223 0.335 0.000 2.401 469 L HA 0.630 4.970 4.340 -0.000 0.000 0.266 469 L C -1.443 175.525 176.870 0.164 0.000 0.991 469 L CA -0.816 54.133 54.840 0.183 0.000 0.818 469 L CB 2.877 45.020 42.059 0.139 0.000 1.321 469 L HN 0.638 nan 8.230 nan 0.000 0.413 470 W N 6.033 127.291 121.300 -0.070 0.000 2.475 470 W HA 0.624 5.284 4.660 -0.000 0.000 0.320 470 W C -1.106 175.369 176.519 -0.074 0.000 1.022 470 W CA -1.690 55.572 57.345 -0.138 0.000 1.240 470 W CB 0.966 30.322 29.460 -0.173 0.000 1.328 470 W HN 0.315 nan 8.180 nan 0.000 0.439 471 I N 3.892 124.552 120.570 0.149 0.000 2.339 471 I HA 0.576 4.746 4.170 -0.000 0.000 0.290 471 I C -0.676 175.467 176.117 0.044 0.000 0.994 471 I CA -0.455 60.861 61.300 0.025 0.000 1.191 471 I CB 1.658 39.694 38.000 0.059 0.000 1.343 471 I HN 0.278 nan 8.210 nan 0.000 0.458 472 D N 5.651 125.997 120.400 -0.089 0.000 2.493 472 D HA 0.515 5.155 4.640 -0.000 0.000 0.239 472 D C 0.357 176.673 176.300 0.026 0.000 1.049 472 D CA -0.307 53.683 54.000 -0.017 0.000 1.008 472 D CB 1.461 42.067 40.800 -0.323 0.000 1.398 472 D HN 0.653 nan 8.370 nan 0.000 0.513 473 M N 0.678 120.317 119.600 0.066 0.000 2.682 473 M HA -0.221 4.259 4.480 -0.000 0.000 0.196 473 M C -0.250 176.060 176.300 0.017 0.000 0.542 473 M CA 0.486 55.812 55.300 0.043 0.000 0.593 473 M CB -2.824 29.775 32.600 -0.001 0.000 2.183 473 M HN 0.568 nan 8.290 nan 0.000 0.663 474 N N -0.428 118.304 118.700 0.053 0.000 2.451 474 N HA 0.282 5.021 4.740 -0.000 0.000 0.264 474 N C 0.636 176.174 175.510 0.047 0.000 1.167 474 N CA -0.117 52.985 53.050 0.087 0.000 0.898 474 N CB 0.265 38.849 38.487 0.161 0.000 1.176 474 N HN 0.242 nan 8.380 nan 0.000 0.507 475 E N -0.193 119.979 120.200 -0.047 0.000 2.106 475 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 475 E C 0.354 176.710 176.600 -0.407 0.000 0.984 475 E CA 0.485 56.815 56.400 -0.117 0.000 0.806 475 E CB 0.159 29.848 29.700 -0.019 0.000 0.750 475 E HN 0.280 nan 8.360 nan 0.000 0.458 476 V N 0.061 119.662 119.914 -0.522 0.000 2.644 476 V HA 0.322 4.442 4.120 -0.000 0.000 0.295 476 V C -0.121 175.804 176.094 -0.282 0.000 1.053 476 V CA -0.476 61.511 62.300 -0.521 0.000 0.987 476 V CB 1.813 32.933 31.823 -1.172 0.000 1.006 476 V HN 0.138 nan 8.190 nan 0.000 0.472 477 S N 4.264 119.865 115.700 -0.166 0.000 2.578 477 S HA 0.657 5.127 4.470 -0.000 0.000 0.283 477 S C -0.415 174.105 174.600 -0.132 0.000 1.195 477 S CA -0.193 57.952 58.200 -0.093 0.000 1.050 477 S CB 1.322 64.502 63.200 -0.033 0.000 1.012 477 S HN 1.030 nan 8.310 nan 0.000 0.511 478 S N 2.565 118.212 115.700 -0.089 0.000 2.540 478 S HA 0.608 5.078 4.470 -0.000 0.000 0.275 478 S C -0.508 174.123 174.600 0.051 0.000 1.123 478 S CA -0.608 57.533 58.200 -0.098 0.000 0.907 478 S CB 0.477 63.670 63.200 -0.013 0.000 1.081 478 S HN 0.623 nan 8.310 nan 0.000 0.476 479 F N 3.048 122.954 119.950 -0.073 0.000 2.797 479 F HA 0.364 4.891 4.527 -0.000 0.000 0.302 479 F C 0.818 176.607 175.800 -0.019 0.000 1.130 479 F CA -0.485 57.472 58.000 -0.072 0.000 1.387 479 F CB -0.598 38.328 39.000 -0.124 0.000 1.107 479 F HN 0.481 nan 8.300 nan 0.000 0.577 480 I N -2.324 118.341 120.570 0.157 0.000 2.797 480 I HA 0.467 4.637 4.170 -0.000 0.000 0.307 480 I C -0.284 175.905 176.117 0.120 0.000 1.033 480 I CA -1.235 60.136 61.300 0.119 0.000 1.071 480 I CB 1.344 39.395 38.000 0.086 0.000 1.255 480 I HN -0.349 nan 8.210 nan 0.000 0.445 481 Q N 3.174 123.063 119.800 0.148 0.000 2.361 481 Q HA 0.326 4.666 4.340 -0.000 0.000 0.250 481 Q C 0.830 176.981 176.000 0.253 0.000 1.023 481 Q CA 0.696 56.649 55.803 0.250 0.000 0.915 481 Q CB 1.098 30.012 28.738 0.293 0.000 1.238 481 Q HN 1.131 nan 8.270 nan 0.000 0.451 482 G N 3.074 112.002 108.800 0.214 0.000 4.655 482 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.220 482 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.220 482 G C 0.229 175.077 174.900 -0.087 0.000 1.403 482 G CA 0.525 45.591 45.100 -0.057 0.000 0.931 482 G HN 1.130 nan 8.290 nan 0.000 0.654 483 S N -3.086 112.575 115.700 -0.065 0.000 2.636 483 S HA 0.596 5.066 4.470 -0.000 0.000 0.266 483 S C 0.534 175.127 174.600 -0.012 0.000 1.147 483 S CA 1.000 59.179 58.200 -0.035 0.000 0.815 483 S CB 0.858 64.023 63.200 -0.059 0.000 1.119 483 S HN 1.015 nan 8.310 nan 0.000 0.470 484 T N 0.645 115.196 114.554 -0.005 0.000 2.822 484 T HA -0.011 4.339 4.350 -0.000 0.000 0.270 484 T C 1.012 175.710 174.700 -0.005 0.000 1.064 484 T CA 1.936 64.034 62.100 -0.002 0.000 1.131 484 T CB -0.545 68.317 68.868 -0.011 0.000 0.858 484 T HN 0.610 nan 8.240 nan 0.000 0.483 485 K N -0.145 120.245 120.400 -0.016 0.000 2.399 485 K HA 0.421 4.741 4.320 -0.000 0.000 0.204 485 K C 0.994 177.579 176.600 -0.025 0.000 1.023 485 K CA 0.130 56.408 56.287 -0.016 0.000 1.127 485 K CB 0.838 33.327 32.500 -0.019 0.000 0.856 485 K HN 0.358 nan 8.250 nan 0.000 0.514 486 G N 0.744 109.522 108.800 -0.037 0.000 2.598 486 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.244 486 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.244 486 G C -0.458 174.339 174.900 -0.172 0.000 1.302 486 G CA -0.417 44.642 45.100 -0.068 0.000 0.903 486 G HN 0.285 nan 8.290 nan 0.000 0.575 487 C N 0.511 119.680 119.300 -0.219 0.000 2.634 487 C HA 0.624 5.084 4.460 -0.000 0.000 0.313 487 C C 0.276 175.221 174.990 -0.076 0.000 1.198 487 C CA -1.166 57.681 59.018 -0.286 0.000 1.605 487 C CB 1.303 28.604 27.740 -0.732 0.000 2.196 487 C HN 0.742 nan 8.230 nan 0.000 0.486 488 N N 1.204 119.872 118.700 -0.054 0.000 2.412 488 N HA 0.070 4.810 4.740 -0.000 0.000 0.258 488 N C -0.346 175.231 175.510 0.112 0.000 1.236 488 N CA 0.141 53.202 53.050 0.018 0.000 0.882 488 N CB 0.711 39.199 38.487 0.001 0.000 1.066 488 N HN 0.465 nan 8.380 nan 0.000 0.465 489 V N 3.800 123.793 119.914 0.132 0.000 2.352 489 V HA 0.087 4.207 4.120 -0.000 0.000 0.253 489 V C 0.221 176.407 176.094 0.152 0.000 1.083 489 V CA -0.336 62.080 62.300 0.194 0.000 0.993 489 V CB -0.980 30.858 31.823 0.025 0.000 1.111 489 V HN 0.777 nan 8.190 nan 0.000 0.490 490 N N 3.175 122.006 118.700 0.219 0.000 2.853 490 N HA 0.327 5.067 4.740 -0.000 0.000 0.258 490 N C 0.573 176.165 175.510 0.135 0.000 1.444 490 N CA -0.935 52.188 53.050 0.121 0.000 0.837 490 N CB 0.928 39.447 38.487 0.053 0.000 1.489 490 N HN 0.243 nan 8.380 nan 0.000 0.529 491 K N -0.337 120.099 120.400 0.061 0.000 2.281 491 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 491 K C 0.848 177.431 176.600 -0.030 0.000 1.046 491 K CA 1.299 57.606 56.287 0.034 0.000 0.938 491 K CB -0.476 32.020 32.500 -0.007 0.000 0.737 491 K HN 0.511 nan 8.250 nan 0.000 0.458 492 L N 0.948 122.123 121.223 -0.079 0.000 2.068 492 L HA -0.050 4.289 4.340 -0.000 0.000 0.204 492 L C 1.786 178.714 176.870 0.096 0.000 1.076 492 L CA 1.410 56.176 54.840 -0.122 0.000 0.753 492 L CB -0.567 41.396 42.059 -0.160 0.000 0.910 492 L HN 0.238 nan 8.230 nan 0.000 0.439 493 N N -1.388 117.334 118.700 0.036 0.000 2.331 493 N HA -0.102 4.638 4.740 -0.000 0.000 0.180 493 N C -0.365 174.936 175.510 -0.348 0.000 1.019 493 N CA 0.728 53.728 53.050 -0.082 0.000 0.881 493 N CB 0.184 38.586 38.487 -0.141 0.000 0.972 493 N HN 0.235 nan 8.380 nan 0.000 0.435 494 Y N 0.359 120.728 120.300 0.115 0.000 2.662 494 Y HA 0.340 4.890 4.550 -0.000 0.000 0.358 494 Y C -2.376 173.554 175.900 0.049 0.000 1.041 494 Y CA -2.225 55.918 58.100 0.072 0.000 1.184 494 Y CB 0.864 39.363 38.460 0.066 0.000 1.114 494 Y HN -0.044 nan 8.280 nan 0.000 0.650 495 P HA 0.142 nan 4.420 nan 0.000 0.274 495 P C -2.052 175.297 177.300 0.081 0.000 1.237 495 P CA -1.365 61.805 63.100 0.116 0.000 0.793 495 P CB 1.495 33.286 31.700 0.153 0.000 0.977 496 P HA -0.011 nan 4.420 nan 0.000 0.220 496 P C 0.152 177.431 177.300 -0.036 0.000 1.152 496 P CA 1.059 64.225 63.100 0.110 0.000 0.812 496 P CB 0.103 31.925 31.700 0.202 0.000 0.792 497 F N 0.956 120.680 119.950 -0.376 0.000 2.467 497 F HA 0.501 5.028 4.527 -0.000 0.000 0.336 497 F C -0.838 174.812 175.800 -0.249 0.000 1.123 497 F CA -0.572 57.063 58.000 -0.609 0.000 0.964 497 F CB 1.491 39.814 39.000 -1.128 0.000 1.136 497 F HN -0.387 nan 8.300 nan 0.000 0.447 498 T N 8.254 122.212 114.554 -0.994 0.000 2.791 498 T HA 0.386 4.736 4.350 -0.000 0.000 0.288 498 T C -2.579 171.419 174.700 -1.171 0.000 0.999 498 T CA -1.249 60.349 62.100 -0.837 0.000 0.952 498 T CB 1.303 69.922 68.868 -0.415 0.000 0.938 498 T HN 0.368 nan 8.240 nan 0.000 0.444 499 P HA 0.147 nan 4.420 nan 0.000 0.274 499 P C 0.187 177.322 177.300 -0.275 0.000 1.260 499 P CA -0.317 62.477 63.100 -0.510 0.000 0.793 499 P CB 0.687 32.296 31.700 -0.152 0.000 1.048 500 D N -0.282 120.055 120.400 -0.105 0.000 2.490 500 D HA 0.027 4.667 4.640 -0.000 0.000 0.255 500 D C 0.449 176.720 176.300 -0.048 0.000 1.248 500 D CA -0.105 53.855 54.000 -0.066 0.000 0.887 500 D CB -1.472 39.317 40.800 -0.018 0.000 0.978 500 D HN 0.273 nan 8.370 nan 0.000 0.491 501 I N -2.352 118.174 120.570 -0.075 0.000 2.892 501 I HA 0.069 4.239 4.170 -0.000 0.000 0.287 501 I C 0.370 176.468 176.117 -0.030 0.000 1.205 501 I CA -0.986 60.296 61.300 -0.029 0.000 1.409 501 I CB 0.515 38.490 38.000 -0.042 0.000 1.367 501 I HN -0.180 nan 8.210 nan 0.000 0.597 502 L N 6.073 127.299 121.223 0.004 0.000 2.490 502 L HA 0.082 4.421 4.340 -0.000 0.000 0.274 502 L C 0.371 177.225 176.870 -0.026 0.000 1.201 502 L CA 1.118 55.957 54.840 -0.001 0.000 0.869 502 L CB -0.477 41.594 42.059 0.020 0.000 1.123 502 L HN 0.885 nan 8.230 nan 0.000 0.484 503 D N 1.746 122.126 120.400 -0.033 0.000 2.653 503 D HA -0.273 4.367 4.640 -0.000 0.000 0.184 503 D C 0.449 176.701 176.300 -0.080 0.000 0.993 503 D CA 1.206 55.174 54.000 -0.053 0.000 1.027 503 D CB -0.747 40.014 40.800 -0.064 0.000 1.089 503 D HN 0.888 nan 8.370 nan 0.000 0.447 504 K N -0.958 119.387 120.400 -0.092 0.000 3.003 504 K HA -0.224 4.095 4.320 -0.000 0.000 0.257 504 K C -0.316 176.191 176.600 -0.154 0.000 0.958 504 K CA 0.727 56.938 56.287 -0.127 0.000 0.707 504 K CB -0.916 31.520 32.500 -0.107 0.000 1.279 504 K HN 0.326 nan 8.250 nan 0.000 0.479 505 L N -0.029 121.077 121.223 -0.194 0.000 2.404 505 L HA 0.269 4.609 4.340 -0.000 0.000 0.272 505 L C 0.955 177.632 176.870 -0.323 0.000 0.980 505 L CA -0.501 54.153 54.840 -0.311 0.000 0.836 505 L CB 1.338 43.160 42.059 -0.394 0.000 1.238 505 L HN -0.025 nan 8.230 nan 0.000 0.408 506 M N 3.646 123.058 119.600 -0.314 0.000 2.106 506 M HA -0.215 4.264 4.480 -0.000 0.000 0.259 506 M C 1.251 177.521 176.300 -0.051 0.000 1.068 506 M CA 2.150 57.328 55.300 -0.204 0.000 1.100 506 M CB -0.987 31.511 32.600 -0.170 0.000 1.351 506 M HN 0.836 nan 8.290 nan 0.000 0.404 507 Y N -1.674 118.555 120.300 -0.118 0.000 2.468 507 Y HA 0.462 5.012 4.550 -0.000 0.000 0.268 507 Y C 0.966 176.837 175.900 -0.048 0.000 1.177 507 Y CA -0.695 57.354 58.100 -0.085 0.000 1.265 507 Y CB -0.737 37.660 38.460 -0.105 0.000 1.103 507 Y HN -0.032 nan 8.280 nan 0.000 0.522 508 S N 2.310 117.871 115.700 -0.231 0.000 2.544 508 S HA 0.074 4.544 4.470 -0.000 0.000 0.290 508 S C 0.795 175.398 174.600 0.006 0.000 1.276 508 S CA 0.108 58.229 58.200 -0.132 0.000 1.075 508 S CB -0.063 63.053 63.200 -0.140 0.000 0.849 508 S HN 0.635 nan 8.310 nan 0.000 0.494 509 K N 1.673 122.104 120.400 0.051 0.000 3.281 509 K HA -0.144 4.176 4.320 -0.000 0.000 0.295 509 K C -0.035 176.598 176.600 0.055 0.000 1.233 509 K CA 1.526 57.860 56.287 0.078 0.000 0.866 509 K CB -1.744 30.807 32.500 0.084 0.000 1.265 509 K HN 0.765 nan 8.250 nan 0.000 0.482 510 T N -1.819 112.764 114.554 0.048 0.000 2.637 510 T HA 0.663 5.013 4.350 -0.000 0.000 0.303 510 T C -0.980 173.702 174.700 -0.031 0.000 1.288 510 T CA -0.425 61.667 62.100 -0.012 0.000 1.040 510 T CB 0.495 69.401 68.868 0.062 0.000 1.644 510 T HN 0.416 nan 8.240 nan 0.000 0.480 511 I N -0.362 120.138 120.570 -0.118 0.000 2.918 511 I HA 0.693 4.863 4.170 -0.000 0.000 0.316 511 I C 0.317 176.404 176.117 -0.050 0.000 1.001 511 I CA -0.977 60.237 61.300 -0.142 0.000 1.142 511 I CB 0.762 38.568 38.000 -0.323 0.000 1.356 511 I HN 0.563 nan 8.210 nan 0.000 0.524 512 C N 3.663 122.900 119.300 -0.106 0.000 2.597 512 C HA 0.023 4.483 4.460 -0.000 0.000 0.412 512 C C 2.034 177.010 174.990 -0.023 0.000 1.348 512 C CA -0.319 58.621 59.018 -0.130 0.000 1.769 512 C CB 0.000 27.641 27.740 -0.165 0.000 2.641 512 C HN 0.800 nan 8.230 nan 0.000 0.612 513 M N 2.541 122.154 119.600 0.022 0.000 2.374 513 M HA -0.048 4.431 4.480 -0.000 0.000 0.264 513 M C 1.517 177.875 176.300 0.096 0.000 1.067 513 M CA 1.451 56.822 55.300 0.118 0.000 1.103 513 M CB -0.981 31.752 32.600 0.223 0.000 1.402 513 M HN 0.822 nan 8.290 nan 0.000 0.444 514 D N -0.415 120.000 120.400 0.025 0.000 2.342 514 D HA 0.235 4.875 4.640 -0.000 0.000 0.221 514 D C 0.424 176.727 176.300 0.006 0.000 1.101 514 D CA -0.098 53.907 54.000 0.010 0.000 0.837 514 D CB -0.509 40.282 40.800 -0.014 0.000 0.938 514 D HN 0.067 nan 8.370 nan 0.000 0.508 515 A N 0.576 123.399 122.820 0.005 0.000 2.483 515 A HA 0.455 4.775 4.320 -0.000 0.000 0.238 515 A C 0.458 178.058 177.584 0.027 0.000 1.070 515 A CA -0.260 51.781 52.037 0.006 0.000 0.770 515 A CB 0.404 19.398 19.000 -0.011 0.000 1.008 515 A HN 0.433 nan 8.150 nan 0.000 0.497 516 V N 0.505 120.436 119.914 0.028 0.000 2.628 516 V HA 0.742 4.862 4.120 -0.000 0.000 0.306 516 V C -0.436 175.680 176.094 0.036 0.000 1.045 516 V CA -0.700 61.621 62.300 0.036 0.000 0.905 516 V CB 1.100 32.941 31.823 0.030 0.000 0.997 516 V HN 0.971 nan 8.190 nan 0.000 0.436 517 Q N 1.833 121.660 119.800 0.044 0.000 2.496 517 Q HA 0.397 4.737 4.340 -0.000 0.000 0.286 517 Q C 0.882 176.905 176.000 0.038 0.000 1.103 517 Q CA -0.666 55.148 55.803 0.018 0.000 0.813 517 Q CB 2.176 30.919 28.738 0.008 0.000 1.444 517 Q HN 0.872 nan 8.270 nan 0.000 0.443 518 N N 0.144 118.836 118.700 -0.014 0.000 2.094 518 N HA -0.183 4.557 4.740 -0.000 0.000 0.191 518 N C 0.721 176.370 175.510 0.232 0.000 1.023 518 N CA 1.629 54.707 53.050 0.045 0.000 0.857 518 N CB 0.119 38.580 38.487 -0.044 0.000 1.013 518 N HN 0.571 nan 8.380 nan 0.000 0.426 519 W N 0.741 122.063 121.300 0.037 0.000 2.678 519 W HA 0.284 4.944 4.660 -0.000 0.000 0.256 519 W C 1.412 178.002 176.519 0.119 0.000 1.280 519 W CA 0.979 58.370 57.345 0.076 0.000 1.345 519 W CB -0.767 28.742 29.460 0.082 0.000 1.118 519 W HN 0.264 nan 8.180 nan 0.000 0.629 520 G N -0.612 108.356 108.800 0.281 0.000 2.339 520 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.275 520 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.275 520 G C -1.139 173.825 174.900 0.107 0.000 1.323 520 G CA -1.221 43.989 45.100 0.184 0.000 0.927 520 G HN -0.179 nan 8.290 nan 0.000 0.486 521 K N -0.070 120.367 120.400 0.061 0.000 2.326 521 K HA 0.338 4.658 4.320 -0.000 0.000 0.275 521 K C 1.421 178.056 176.600 0.058 0.000 1.018 521 K CA -0.008 56.311 56.287 0.052 0.000 0.962 521 K CB 1.344 33.872 32.500 0.047 0.000 0.953 521 K HN 0.553 nan 8.250 nan 0.000 0.475 522 Q N 2.180 122.031 119.800 0.085 0.000 2.152 522 Q HA -0.268 4.072 4.340 -0.000 0.000 0.206 522 Q C 1.345 177.444 176.000 0.165 0.000 0.985 522 Q CA 1.788 57.661 55.803 0.116 0.000 0.863 522 Q CB -0.330 28.468 28.738 0.100 0.000 0.904 522 Q HN 0.732 nan 8.270 nan 0.000 0.422 523 Y N 0.385 120.699 120.300 0.023 0.000 2.151 523 Y HA -0.294 4.255 4.550 -0.000 0.000 0.284 523 Y C 1.452 177.340 175.900 -0.020 0.000 1.166 523 Y CA 2.284 60.396 58.100 0.019 0.000 1.163 523 Y CB 0.012 38.455 38.460 -0.028 0.000 0.974 523 Y HN 0.250 nan 8.280 nan 0.000 0.511 524 D N -1.050 119.332 120.400 -0.031 0.000 2.197 524 D HA -0.071 4.569 4.640 -0.000 0.000 0.212 524 D C 1.954 178.020 176.300 -0.390 0.000 0.963 524 D CA 1.769 55.488 54.000 -0.468 0.000 0.864 524 D CB -0.312 39.801 40.800 -1.145 0.000 1.009 524 D HN 0.372 nan 8.370 nan 0.000 0.479 525 V N -0.934 118.880 119.914 -0.166 0.000 3.647 525 V HA 0.081 4.200 4.120 -0.000 0.000 0.279 525 V C 1.990 178.110 176.094 0.044 0.000 1.314 525 V CA 0.187 62.493 62.300 0.009 0.000 1.125 525 V CB -0.410 31.513 31.823 0.166 0.000 0.907 525 V HN 0.184 nan 8.190 nan 0.000 0.434 526 H N 1.948 120.993 119.070 -0.041 0.000 2.292 526 H HA -0.202 4.354 4.556 -0.000 0.000 0.292 526 H C 1.927 177.167 175.328 -0.147 0.000 1.100 526 H CA 2.428 58.413 56.048 -0.104 0.000 1.238 526 H CB -0.132 29.512 29.762 -0.195 0.000 1.355 526 H HN 0.543 nan 8.280 nan 0.000 0.484 527 S N 0.085 115.670 115.700 -0.191 0.000 2.607 527 S HA 0.108 4.577 4.470 -0.000 0.000 0.224 527 S C 1.880 176.376 174.600 -0.173 0.000 0.969 527 S CA 0.001 58.077 58.200 -0.207 0.000 0.927 527 S CB 0.122 63.240 63.200 -0.137 0.000 0.772 527 S HN 0.354 nan 8.310 nan 0.000 0.533 528 L N -0.678 120.454 121.223 -0.152 0.000 2.640 528 L HA 0.229 4.568 4.340 -0.000 0.000 0.230 528 L C 1.600 178.524 176.870 0.091 0.000 1.123 528 L CA 0.103 54.921 54.840 -0.037 0.000 0.900 528 L CB -0.271 41.822 42.059 0.056 0.000 1.146 528 L HN 0.277 nan 8.230 nan 0.000 0.484 529 Y N 1.577 121.821 120.300 -0.093 0.000 2.097 529 Y HA -0.242 4.308 4.550 -0.000 0.000 0.282 529 Y C 2.360 178.208 175.900 -0.086 0.000 1.152 529 Y CA 2.086 60.127 58.100 -0.098 0.000 1.136 529 Y CB -0.198 38.163 38.460 -0.165 0.000 0.975 529 Y HN 0.139 nan 8.280 nan 0.000 0.498 530 G N -1.546 107.335 108.800 0.137 0.000 2.402 530 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.216 530 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.216 530 G C 1.520 176.425 174.900 0.009 0.000 1.162 530 G CA 0.912 46.056 45.100 0.073 0.000 0.777 530 G HN 0.565 nan 8.290 nan 0.000 0.539 531 Y N 2.878 123.168 120.300 -0.017 0.000 2.053 531 Y HA -0.284 4.265 4.550 -0.000 0.000 0.277 531 Y C 3.171 179.001 175.900 -0.117 0.000 1.159 531 Y CA 2.420 60.528 58.100 0.012 0.000 1.125 531 Y CB -0.565 37.963 38.460 0.114 0.000 0.969 531 Y HN 0.313 nan 8.280 nan 0.000 0.492 532 S N -0.087 115.469 115.700 -0.239 0.000 2.382 532 S HA -0.281 4.188 4.470 -0.000 0.000 0.228 532 S C 2.203 176.454 174.600 -0.582 0.000 1.027 532 S CA 1.432 59.348 58.200 -0.473 0.000 0.991 532 S CB -0.812 62.033 63.200 -0.592 0.000 0.823 532 S HN 0.681 nan 8.310 nan 0.000 0.469 533 M N 1.447 120.624 119.600 -0.705 0.000 2.132 533 M HA 0.007 4.487 4.480 -0.000 0.000 0.263 533 M C 2.392 178.285 176.300 -0.680 0.000 1.065 533 M CA 1.587 56.218 55.300 -1.115 0.000 1.122 533 M CB -0.568 31.353 32.600 -1.131 0.000 1.365 533 M HN 0.528 nan 8.290 nan 0.000 0.411 534 A N 0.675 123.244 122.820 -0.418 0.000 1.902 534 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 534 A C 1.935 179.329 177.584 -0.317 0.000 1.181 534 A CA 1.619 53.500 52.037 -0.260 0.000 0.623 534 A CB -0.993 17.933 19.000 -0.122 0.000 0.818 534 A HN 0.594 nan 8.150 nan 0.000 0.443 535 I N -0.206 120.037 120.570 -0.545 0.000 2.208 535 I HA -0.311 3.858 4.170 -0.000 0.000 0.245 535 I C 2.943 178.893 176.117 -0.277 0.000 1.097 535 I CA 1.156 62.104 61.300 -0.586 0.000 1.363 535 I CB -0.304 37.281 38.000 -0.691 0.000 1.051 535 I HN 0.365 nan 8.210 nan 0.000 0.413 536 A N 0.055 122.721 122.820 -0.256 0.000 1.972 536 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 536 A C 2.348 180.008 177.584 0.126 0.000 1.169 536 A CA 2.281 54.285 52.037 -0.055 0.000 0.635 536 A CB -0.925 18.046 19.000 -0.048 0.000 0.810 536 A HN 0.400 nan 8.150 nan 0.000 0.446 537 T N -0.727 113.865 114.554 0.063 0.000 2.942 537 T HA -0.071 4.279 4.350 -0.000 0.000 0.265 537 T C 1.803 176.586 174.700 0.137 0.000 1.062 537 T CA 1.177 63.416 62.100 0.231 0.000 1.139 537 T CB -0.119 68.872 68.868 0.205 0.000 0.883 537 T HN 0.710 nan 8.240 nan 0.000 0.468 538 E N 1.029 121.260 120.200 0.051 0.000 2.110 538 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 538 E C 2.198 178.843 176.600 0.076 0.000 0.988 538 E CA 0.961 57.397 56.400 0.060 0.000 0.804 538 E CB 0.043 29.768 29.700 0.043 0.000 0.745 538 E HN 0.466 nan 8.360 nan 0.000 0.458 539 Q N 0.020 119.857 119.800 0.063 0.000 2.050 539 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 539 Q C 2.278 178.328 176.000 0.082 0.000 0.980 539 Q CA 1.308 57.152 55.803 0.068 0.000 0.840 539 Q CB -0.367 28.410 28.738 0.065 0.000 0.898 539 Q HN 0.346 nan 8.270 nan 0.000 0.424 540 A N 0.919 123.812 122.820 0.122 0.000 1.908 540 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 540 A C 2.471 180.096 177.584 0.068 0.000 1.181 540 A CA 1.569 53.653 52.037 0.079 0.000 0.627 540 A CB -0.792 18.262 19.000 0.089 0.000 0.818 540 A HN 0.203 nan 8.150 nan 0.000 0.445 541 V N -0.075 119.930 119.914 0.151 0.000 2.343 541 V HA -0.243 3.876 4.120 -0.000 0.000 0.247 541 V C 2.678 178.885 176.094 0.188 0.000 1.051 541 V CA 2.031 64.487 62.300 0.259 0.000 1.036 541 V CB -0.646 31.340 31.823 0.271 0.000 0.654 541 V HN 0.538 nan 8.190 nan 0.000 0.451 542 Q N -0.208 119.657 119.800 0.109 0.000 2.226 542 Q HA -0.140 4.199 4.340 -0.000 0.000 0.204 542 Q C 2.231 178.239 176.000 0.014 0.000 0.975 542 Q CA 1.134 56.978 55.803 0.067 0.000 0.866 542 Q CB -0.258 28.513 28.738 0.055 0.000 0.915 542 Q HN 0.560 nan 8.270 nan 0.000 0.440 543 K N -0.336 120.052 120.400 -0.020 0.000 2.098 543 K HA 0.041 4.361 4.320 -0.000 0.000 0.203 543 K C 2.168 178.662 176.600 -0.177 0.000 1.051 543 K CA 0.576 56.816 56.287 -0.078 0.000 0.957 543 K CB -0.182 32.272 32.500 -0.078 0.000 0.738 543 K HN 0.055 nan 8.250 nan 0.000 0.447 544 V N 0.508 120.253 119.914 -0.282 0.000 2.407 544 V HA -0.078 4.042 4.120 -0.000 0.000 0.245 544 V C 0.686 176.239 176.094 -0.901 0.000 1.041 544 V CA 1.202 63.089 62.300 -0.689 0.000 1.040 544 V CB -0.313 30.956 31.823 -0.924 0.000 0.671 544 V HN 0.062 nan 8.190 nan 0.000 0.455 545 F N 1.696 121.547 119.950 -0.166 0.000 2.564 545 F HA 0.455 4.982 4.527 -0.000 0.000 0.361 545 F C -2.501 173.265 175.800 -0.056 0.000 1.161 545 F CA -2.879 55.048 58.000 -0.121 0.000 1.198 545 F CB 0.320 39.276 39.000 -0.074 0.000 1.424 545 F HN 0.006 nan 8.300 nan 0.000 0.517 546 P HA -0.010 nan 4.420 nan 0.000 0.265 546 P C 0.029 177.368 177.300 0.065 0.000 1.193 546 P CA 0.392 63.520 63.100 0.046 0.000 0.765 546 P CB 0.589 32.294 31.700 0.009 0.000 0.823 547 N N -0.630 118.106 118.700 0.059 0.000 2.708 547 N HA -0.156 4.584 4.740 -0.000 0.000 0.251 547 N C -0.150 175.393 175.510 0.055 0.000 1.123 547 N CA 1.294 54.375 53.050 0.050 0.000 0.739 547 N CB -1.059 37.452 38.487 0.038 0.000 1.113 547 N HN 0.535 nan 8.380 nan 0.000 0.561 548 K N 0.237 120.686 120.400 0.081 0.000 2.295 548 K HA 0.418 4.738 4.320 -0.000 0.000 0.239 548 K C 1.323 177.951 176.600 0.048 0.000 0.991 548 K CA -0.686 55.642 56.287 0.067 0.000 0.845 548 K CB 1.412 33.965 32.500 0.089 0.000 1.197 548 K HN -0.010 nan 8.250 nan 0.000 0.441 549 R N 0.302 120.809 120.500 0.013 0.000 2.140 549 R HA -0.003 4.337 4.340 -0.000 0.000 0.213 549 R C 0.954 177.235 176.300 -0.033 0.000 1.059 549 R CA 0.711 56.796 56.100 -0.024 0.000 1.000 549 R CB 0.097 30.353 30.300 -0.073 0.000 0.910 549 R HN 0.892 nan 8.270 nan 0.000 0.455 550 S N -0.273 115.404 115.700 -0.039 0.000 3.416 550 S HA -0.322 4.148 4.470 -0.000 0.000 0.627 550 S C -0.468 174.157 174.600 0.042 0.000 2.746 550 S CA 1.288 59.458 58.200 -0.049 0.000 3.896 550 S CB -0.703 62.328 63.200 -0.281 0.000 0.264 550 S HN 0.282 nan 8.310 nan 0.000 1.229 551 F N 0.595 120.489 119.950 -0.093 0.000 2.622 551 F HA 0.739 5.266 4.527 -0.000 0.000 0.318 551 F C -1.224 174.548 175.800 -0.046 0.000 1.135 551 F CA -0.707 57.179 58.000 -0.190 0.000 1.015 551 F CB 1.090 39.920 39.000 -0.283 0.000 1.275 551 F HN 0.571 nan 8.300 nan 0.000 0.457 552 I N 7.236 127.366 120.570 -0.732 0.000 2.500 552 I HA 0.373 4.543 4.170 -0.000 0.000 0.286 552 I C -1.679 173.937 176.117 -0.835 0.000 1.063 552 I CA -0.847 60.118 61.300 -0.557 0.000 1.062 552 I CB 1.944 39.817 38.000 -0.212 0.000 1.223 552 I HN 0.469 nan 8.210 nan 0.000 0.435 553 L N 6.243 127.026 121.223 -0.732 0.000 2.305 553 L HA 0.653 4.992 4.340 -0.000 0.000 0.284 553 L C -0.272 176.601 176.870 0.004 0.000 1.013 553 L CA 0.318 54.847 54.840 -0.518 0.000 0.819 553 L CB 1.783 43.435 42.059 -0.680 0.000 1.227 553 L HN 0.575 nan 8.230 nan 0.000 0.417 554 T N 3.801 118.430 114.554 0.125 0.000 2.887 554 T HA 0.413 4.763 4.350 -0.000 0.000 0.288 554 T C 0.732 175.685 174.700 0.421 0.000 1.021 554 T CA -0.441 61.816 62.100 0.263 0.000 1.000 554 T CB 1.557 70.498 68.868 0.121 0.000 1.034 554 T HN 0.835 nan 8.240 nan 0.000 0.467 555 R N 2.160 122.858 120.500 0.330 0.000 2.048 555 R HA 0.219 4.558 4.340 -0.000 0.000 0.224 555 R C 0.875 177.227 176.300 0.087 0.000 1.163 555 R CA 0.436 56.512 56.100 -0.039 0.000 0.956 555 R CB -0.356 29.792 30.300 -0.254 0.000 0.849 555 R HN 0.550 nan 8.270 nan 0.000 0.435 556 S N 0.341 116.106 115.700 0.109 0.000 2.548 556 S HA 0.177 4.646 4.470 -0.000 0.000 0.277 556 S C -0.472 174.205 174.600 0.128 0.000 1.315 556 S CA -0.313 57.971 58.200 0.140 0.000 1.050 556 S CB 0.906 64.184 63.200 0.130 0.000 0.918 556 S HN 0.445 nan 8.310 nan 0.000 0.497 557 T N 2.275 116.913 114.554 0.140 0.000 2.896 557 T HA 0.745 5.094 4.350 -0.000 0.000 0.297 557 T C -0.968 173.912 174.700 0.301 0.000 1.108 557 T CA -0.711 61.506 62.100 0.194 0.000 1.004 557 T CB 1.316 70.254 68.868 0.116 0.000 1.159 557 T HN 0.499 nan 8.240 nan 0.000 0.499 558 F N 0.817 120.853 119.950 0.143 0.000 2.691 558 F HA 0.770 5.297 4.527 -0.000 0.000 0.334 558 F C -0.100 175.734 175.800 0.058 0.000 1.107 558 F CA -1.077 56.962 58.000 0.064 0.000 0.991 558 F CB 1.250 40.190 39.000 -0.099 0.000 1.400 558 F HN 1.009 nan 8.300 nan 0.000 0.503 559 A N 1.356 123.683 122.820 -0.821 0.000 2.561 559 A HA 0.406 4.725 4.320 -0.000 0.000 0.251 559 A C 1.032 178.607 177.584 -0.016 0.000 1.062 559 A CA 1.017 52.774 52.037 -0.466 0.000 0.761 559 A CB -1.411 17.218 19.000 -0.620 0.000 0.986 559 A HN 2.069 nan 8.150 nan 0.000 0.510 560 G N 1.848 110.619 108.800 -0.050 0.000 2.175 560 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.244 560 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.244 560 G C 1.159 176.156 174.900 0.161 0.000 0.982 560 G CA 0.685 45.804 45.100 0.032 0.000 0.641 560 G HN 1.030 nan 8.290 nan 0.000 0.527 561 S N 0.053 115.906 115.700 0.255 0.000 2.442 561 S HA 0.049 4.519 4.470 -0.000 0.000 0.236 561 S C 2.472 177.139 174.600 0.112 0.000 1.007 561 S CA 1.691 60.078 58.200 0.312 0.000 0.965 561 S CB -0.329 63.058 63.200 0.312 0.000 0.773 561 S HN 1.247 nan 8.310 nan 0.000 0.504 562 G N 1.106 109.931 108.800 0.041 0.000 2.498 562 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.219 562 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.219 562 G C 1.272 176.097 174.900 -0.124 0.000 1.119 562 G CA 0.329 45.428 45.100 -0.003 0.000 0.766 562 G HN 0.435 nan 8.290 nan 0.000 0.552 563 R N -0.539 119.787 120.500 -0.290 0.000 2.189 563 R HA -0.053 4.286 4.340 -0.000 0.000 0.223 563 R C 1.667 177.647 176.300 -0.534 0.000 1.092 563 R CA 1.182 56.983 56.100 -0.498 0.000 0.989 563 R CB -0.060 29.794 30.300 -0.742 0.000 0.876 563 R HN 0.462 nan 8.270 nan 0.000 0.457 564 H N -2.413 116.634 119.070 -0.039 0.000 3.017 564 H HA 0.414 4.970 4.556 -0.000 0.000 0.255 564 H C 0.026 175.305 175.328 -0.082 0.000 0.990 564 H CA 0.660 56.671 56.048 -0.061 0.000 1.205 564 H CB 1.144 30.853 29.762 -0.088 0.000 1.460 564 H HN 0.212 nan 8.280 nan 0.000 0.478 565 A N 0.540 123.365 122.820 0.007 0.000 2.601 565 A HA 0.699 5.019 4.320 -0.000 0.000 0.291 565 A C -1.018 176.514 177.584 -0.087 0.000 1.075 565 A CA -0.113 51.880 52.037 -0.073 0.000 0.671 565 A CB 0.870 19.844 19.000 -0.044 0.000 1.277 565 A HN 0.231 nan 8.150 nan 0.000 0.417 566 A N -0.173 122.521 122.820 -0.211 0.000 2.242 566 A HA 0.777 5.097 4.320 -0.000 0.000 0.304 566 A C -0.322 177.214 177.584 -0.080 0.000 1.100 566 A CA 0.024 51.950 52.037 -0.185 0.000 0.860 566 A CB 0.468 19.228 19.000 -0.400 0.000 1.168 566 A HN 1.699 nan 8.150 nan 0.000 0.503 567 H N -1.680 117.290 119.070 -0.167 0.000 2.851 567 H HA 0.560 5.116 4.556 -0.000 0.000 0.372 567 H C -1.298 174.018 175.328 -0.020 0.000 1.158 567 H CA -0.772 55.202 56.048 -0.123 0.000 1.159 567 H CB 1.127 30.730 29.762 -0.264 0.000 1.757 567 H HN 0.861 nan 8.280 nan 0.000 0.546 568 W N 5.076 125.829 121.300 -0.912 0.000 2.820 568 W HA 0.453 5.112 4.660 -0.000 0.000 0.350 568 W C -0.907 175.043 176.519 -0.948 0.000 1.116 568 W CA -1.165 55.780 57.345 -0.667 0.000 1.146 568 W CB 0.932 30.236 29.460 -0.259 0.000 1.433 568 W HN 0.488 nan 8.180 nan 0.000 0.561 569 L N 3.485 124.316 121.223 -0.653 0.000 2.610 569 L HA 0.288 4.628 4.340 -0.000 0.000 0.232 569 L C 1.205 177.798 176.870 -0.462 0.000 1.149 569 L CA 0.936 55.488 54.840 -0.479 0.000 0.872 569 L CB -1.310 40.683 42.059 -0.110 0.000 0.992 569 L HN 1.005 nan 8.230 nan 0.000 0.447 570 G N 0.213 108.325 108.800 -1.147 0.000 2.587 570 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.212 570 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.212 570 G C -0.712 174.132 174.900 -0.093 0.000 1.327 570 G CA -0.527 44.032 45.100 -0.903 0.000 0.898 570 G HN 0.175 nan 8.290 nan 0.000 0.551 571 D N 2.424 122.864 120.400 0.068 0.000 2.597 571 D HA 0.219 4.858 4.640 -0.000 0.000 0.228 571 D C 1.340 177.899 176.300 0.431 0.000 1.120 571 D CA 0.311 54.422 54.000 0.185 0.000 1.083 571 D CB -0.664 40.337 40.800 0.336 0.000 1.116 571 D HN 0.651 nan 8.370 nan 0.000 0.487 572 N N -0.224 118.715 118.700 0.398 0.000 2.285 572 N HA 0.123 4.863 4.740 -0.000 0.000 0.262 572 N C -0.174 175.576 175.510 0.401 0.000 1.299 572 N CA -0.152 53.139 53.050 0.402 0.000 0.930 572 N CB 0.338 39.065 38.487 0.398 0.000 1.157 572 N HN -0.143 nan 8.380 nan 0.000 0.532 573 T N -0.997 113.754 114.554 0.330 0.000 2.876 573 T HA 0.630 4.980 4.350 -0.000 0.000 0.289 573 T C -0.411 174.425 174.700 0.225 0.000 1.014 573 T CA -0.567 61.664 62.100 0.218 0.000 0.986 573 T CB 1.353 70.330 68.868 0.181 0.000 1.021 573 T HN 0.707 nan 8.240 nan 0.000 0.458 574 A N 3.015 125.895 122.820 0.101 0.000 2.981 574 A HA 0.515 4.835 4.320 -0.000 0.000 0.280 574 A C 0.627 178.265 177.584 0.091 0.000 1.797 574 A CA -0.392 51.721 52.037 0.127 0.000 1.456 574 A CB -1.075 17.908 19.000 -0.029 0.000 1.057 574 A HN 0.812 nan 8.150 nan 0.000 0.602 575 S N -0.624 115.135 115.700 0.098 0.000 2.588 575 S HA 0.515 4.985 4.470 -0.000 0.000 0.275 575 S C 0.191 174.670 174.600 -0.201 0.000 1.130 575 S CA -0.816 57.368 58.200 -0.025 0.000 0.855 575 S CB 0.503 63.697 63.200 -0.009 0.000 1.116 575 S HN 0.509 nan 8.310 nan 0.000 0.472 576 W N 1.134 122.333 121.300 -0.168 0.000 2.338 576 W HA 0.017 4.677 4.660 -0.000 0.000 0.304 576 W C 2.295 178.567 176.519 -0.412 0.000 1.212 576 W CA 1.503 58.691 57.345 -0.263 0.000 1.264 576 W CB -0.469 28.890 29.460 -0.169 0.000 1.142 576 W HN 0.856 nan 8.180 nan 0.000 0.512 577 E N -0.081 119.956 120.200 -0.271 0.000 2.049 577 E HA -0.282 4.068 4.350 -0.000 0.000 0.198 577 E C 2.159 177.998 176.600 -1.267 0.000 1.007 577 E CA 1.559 57.495 56.400 -0.773 0.000 0.809 577 E CB -0.464 28.676 29.700 -0.934 0.000 0.749 577 E HN 0.382 nan 8.360 nan 0.000 0.450 578 Q N -0.028 119.234 119.800 -0.895 0.000 2.170 578 Q HA -0.173 4.167 4.340 -0.000 0.000 0.203 578 Q C 2.175 177.977 176.000 -0.331 0.000 0.976 578 Q CA 1.089 56.618 55.803 -0.457 0.000 0.858 578 Q CB -0.225 28.523 28.738 0.016 0.000 0.907 578 Q HN 0.398 nan 8.270 nan 0.000 0.433 579 M N 0.741 119.886 119.600 -0.760 0.000 2.086 579 M HA -0.215 4.265 4.480 -0.000 0.000 0.261 579 M C 2.109 178.131 176.300 -0.463 0.000 1.067 579 M CA 1.709 56.314 55.300 -1.158 0.000 1.116 579 M CB -0.077 31.454 32.600 -1.782 0.000 1.348 579 M HN 0.137 nan 8.290 nan 0.000 0.407 580 E N -0.230 119.762 120.200 -0.347 0.000 2.058 580 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 580 E C 1.679 178.344 176.600 0.109 0.000 0.997 580 E CA 1.948 58.287 56.400 -0.102 0.000 0.801 580 E CB -0.274 29.377 29.700 -0.081 0.000 0.746 580 E HN 0.701 nan 8.360 nan 0.000 0.450 581 W N 1.122 122.440 121.300 0.029 0.000 2.392 581 W HA -0.095 4.565 4.660 -0.000 0.000 0.279 581 W C 2.779 179.341 176.519 0.071 0.000 1.225 581 W CA 1.207 58.592 57.345 0.067 0.000 1.233 581 W CB -1.355 28.160 29.460 0.092 0.000 1.122 581 W HN 0.261 nan 8.180 nan 0.000 0.561 582 S N 0.499 116.363 115.700 0.274 0.000 2.383 582 S HA -0.229 4.241 4.470 -0.000 0.000 0.229 582 S C 1.806 176.482 174.600 0.126 0.000 1.030 582 S CA 1.538 59.867 58.200 0.216 0.000 1.002 582 S CB -0.936 62.446 63.200 0.304 0.000 0.829 582 S HN 0.267 nan 8.310 nan 0.000 0.467 583 I N 1.690 122.330 120.570 0.118 0.000 2.163 583 I HA -0.176 3.994 4.170 -0.000 0.000 0.243 583 I C 2.876 178.962 176.117 -0.052 0.000 1.085 583 I CA 1.691 62.988 61.300 -0.005 0.000 1.347 583 I CB -1.149 36.871 38.000 0.033 0.000 1.044 583 I HN 0.336 nan 8.210 nan 0.000 0.408 584 T N 0.535 115.121 114.554 0.052 0.000 2.746 584 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 584 T C 1.928 176.672 174.700 0.074 0.000 1.039 584 T CA 1.507 63.647 62.100 0.066 0.000 1.142 584 T CB -0.727 68.251 68.868 0.182 0.000 0.866 584 T HN 0.603 nan 8.240 nan 0.000 0.444 585 G N 1.383 110.250 108.800 0.111 0.000 2.446 585 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 585 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 585 G C 1.566 176.584 174.900 0.198 0.000 1.168 585 G CA 1.162 46.362 45.100 0.167 0.000 0.771 585 G HN 0.472 nan 8.290 nan 0.000 0.551 586 M N -0.023 119.611 119.600 0.055 0.000 2.065 586 M HA -0.018 4.462 4.480 -0.000 0.000 0.259 586 M C 2.530 178.812 176.300 -0.030 0.000 1.069 586 M CA 1.509 56.810 55.300 0.001 0.000 1.110 586 M CB -0.253 32.264 32.600 -0.140 0.000 1.328 586 M HN 0.220 nan 8.290 nan 0.000 0.405 587 L N -0.041 121.073 121.223 -0.181 0.000 2.083 587 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 587 L C 2.238 178.990 176.870 -0.197 0.000 1.083 587 L CA 1.521 56.160 54.840 -0.336 0.000 0.752 587 L CB -0.743 40.818 42.059 -0.829 0.000 0.899 587 L HN 0.414 nan 8.230 nan 0.000 0.433 588 E N -0.459 119.684 120.200 -0.095 0.000 2.106 588 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 588 E C 2.079 178.113 176.600 -0.943 0.000 0.984 588 E CA 1.104 57.280 56.400 -0.373 0.000 0.806 588 E CB -0.066 29.494 29.700 -0.234 0.000 0.750 588 E HN 0.341 nan 8.360 nan 0.000 0.458 589 F N 0.893 120.664 119.950 -0.298 0.000 2.186 589 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 589 F C 2.541 178.318 175.800 -0.040 0.000 1.090 589 F CA 0.903 58.878 58.000 -0.042 0.000 1.307 589 F CB -0.179 38.930 39.000 0.182 0.000 1.019 589 F HN -0.093 nan 8.300 nan 0.000 0.489 590 S N 0.706 116.431 115.700 0.042 0.000 2.365 590 S HA -0.222 4.247 4.470 -0.000 0.000 0.225 590 S C 2.168 176.761 174.600 -0.012 0.000 1.039 590 S CA 1.428 59.626 58.200 -0.003 0.000 1.033 590 S CB -0.719 62.443 63.200 -0.064 0.000 0.887 590 S HN 0.312 nan 8.310 nan 0.000 0.447 591 L N -0.035 121.127 121.223 -0.102 0.000 2.079 591 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 591 L C 1.900 178.803 176.870 0.055 0.000 1.081 591 L CA 1.184 56.024 54.840 0.001 0.000 0.752 591 L CB -0.716 41.328 42.059 -0.026 0.000 0.896 591 L HN 0.284 nan 8.230 nan 0.000 0.433 592 F N 0.344 120.302 119.950 0.013 0.000 2.802 592 F HA 0.169 4.696 4.527 -0.000 0.000 0.300 592 F C 1.860 177.702 175.800 0.070 0.000 1.168 592 F CA 0.325 58.304 58.000 -0.035 0.000 1.433 592 F CB -1.193 37.677 39.000 -0.215 0.000 1.115 592 F HN 0.217 nan 8.300 nan 0.000 0.582 593 G N 1.036 109.955 108.800 0.198 0.000 2.160 593 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.244 593 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.244 593 G C 0.172 175.136 174.900 0.107 0.000 1.022 593 G CA 0.012 45.163 45.100 0.085 0.000 0.741 593 G HN 0.385 nan 8.290 nan 0.000 0.508 594 I N 1.067 121.765 120.570 0.213 0.000 2.620 594 I HA 0.210 4.380 4.170 -0.000 0.000 0.280 594 I C -0.906 175.345 176.117 0.223 0.000 1.143 594 I CA -2.177 59.269 61.300 0.243 0.000 1.163 594 I CB 1.350 39.587 38.000 0.395 0.000 1.461 594 I HN -0.071 nan 8.210 nan 0.000 0.530 595 P HA -0.130 nan 4.420 nan 0.000 0.219 595 P C 0.709 178.165 177.300 0.259 0.000 1.150 595 P CA 0.692 63.850 63.100 0.096 0.000 0.814 595 P CB 0.558 32.211 31.700 -0.078 0.000 0.787 596 L N 1.147 122.606 121.223 0.393 0.000 2.404 596 L HA 0.332 4.671 4.340 -0.000 0.000 0.277 596 L C -0.390 176.615 176.870 0.224 0.000 1.184 596 L CA -0.188 54.868 54.840 0.361 0.000 1.013 596 L CB -0.452 41.697 42.059 0.149 0.000 1.318 596 L HN -0.248 nan 8.230 nan 0.000 0.435 597 V N 3.923 123.997 119.914 0.266 0.000 3.012 597 V HA 1.024 5.144 4.120 -0.000 0.000 0.307 597 V C -0.258 175.948 176.094 0.187 0.000 1.166 597 V CA 0.379 62.787 62.300 0.181 0.000 0.974 597 V CB 1.977 33.870 31.823 0.116 0.000 1.040 597 V HN 0.759 nan 8.190 nan 0.000 0.428 598 G N 2.825 111.693 108.800 0.112 0.000 2.548 598 G HA2 0.872 4.832 3.960 -0.000 0.000 0.301 598 G HA3 0.872 4.832 3.960 -0.000 0.000 0.301 598 G C -1.232 173.526 174.900 -0.235 0.000 1.349 598 G CA -0.096 44.855 45.100 -0.247 0.000 0.792 598 G HN 1.567 nan 8.290 nan 0.000 0.481 599 A N -0.548 121.980 122.820 -0.486 0.000 2.354 599 A HA 0.715 5.034 4.320 -0.000 0.000 0.321 599 A C -0.881 176.787 177.584 0.141 0.000 1.125 599 A CA -0.576 51.450 52.037 -0.019 0.000 0.799 599 A CB 1.153 20.228 19.000 0.126 0.000 1.293 599 A HN 0.432 nan 8.150 nan 0.000 0.452 600 D N 1.637 122.148 120.400 0.185 0.000 2.368 600 D HA 0.183 4.823 4.640 -0.000 0.000 0.268 600 D C 0.108 176.243 176.300 -0.275 0.000 1.298 600 D CA 0.826 54.862 54.000 0.059 0.000 0.938 600 D CB 0.004 40.930 40.800 0.209 0.000 1.101 600 D HN 0.368 nan 8.370 nan 0.000 0.509 601 I N 2.033 122.436 120.570 -0.278 0.000 2.618 601 I HA -0.108 4.062 4.170 -0.000 0.000 0.284 601 I C 1.071 176.718 176.117 -0.782 0.000 1.146 601 I CA -0.112 60.793 61.300 -0.659 0.000 1.425 601 I CB 0.373 38.288 38.000 -0.141 0.000 1.383 601 I HN 0.593 nan 8.210 nan 0.000 0.562 602 c N 3.962 121.741 118.600 -1.368 0.000 5.319 602 c HA -0.095 4.475 4.570 -0.000 0.000 0.239 602 c C 0.824 174.544 174.090 -0.616 0.000 1.472 602 c CA 0.187 56.144 56.329 -0.621 0.000 1.403 602 c CB -2.448 39.944 42.510 -0.196 0.000 2.126 602 c HN 1.528 nan 8.230 nan 0.000 0.613 603 G N -1.017 107.221 108.800 -0.937 0.000 3.209 603 G HA2 0.103 4.062 3.960 -0.000 0.000 0.686 603 G HA3 0.103 4.062 3.960 -0.000 0.000 0.686 603 G C -0.349 174.486 174.900 -0.108 0.000 1.065 603 G CA 0.069 44.931 45.100 -0.397 0.000 0.812 603 G HN 1.118 nan 8.290 nan 0.000 0.573 604 F N 3.112 123.016 119.950 -0.076 0.000 2.037 604 F HA 0.305 4.832 4.527 -0.000 0.000 0.291 604 F C 1.737 177.524 175.800 -0.021 0.000 1.137 604 F CA 1.758 59.766 58.000 0.012 0.000 1.178 604 F CB -0.340 38.780 39.000 0.200 0.000 0.995 604 F HN 0.516 nan 8.300 nan 0.000 0.472 605 V N 1.714 121.573 119.914 -0.090 0.000 2.811 605 V HA 0.437 4.557 4.120 -0.000 0.000 0.302 605 V C 0.374 176.156 176.094 -0.519 0.000 1.063 605 V CA -0.552 61.569 62.300 -0.299 0.000 1.088 605 V CB -0.289 31.556 31.823 0.036 0.000 0.982 605 V HN 0.827 nan 8.190 nan 0.000 0.485 606 A N 3.091 125.185 122.820 -1.209 0.000 2.454 606 A HA -0.130 4.189 4.320 -0.000 0.000 0.685 606 A C 0.015 177.049 177.584 -0.917 0.000 0.152 606 A CA 0.301 51.655 52.037 -1.138 0.000 0.038 606 A CB -0.735 18.044 19.000 -0.369 0.000 3.970 606 A HN 0.990 nan 8.150 nan 0.000 0.548 607 E N 0.411 120.326 120.200 -0.476 0.000 2.290 607 E HA 0.382 4.732 4.350 -0.000 0.000 0.277 607 E C 0.687 177.238 176.600 -0.081 0.000 1.035 607 E CA 0.573 56.879 56.400 -0.156 0.000 0.873 607 E CB 0.656 30.362 29.700 0.011 0.000 1.029 607 E HN 0.782 nan 8.360 nan 0.000 0.419 608 T N 2.278 116.815 114.554 -0.028 0.000 2.788 608 T HA 0.197 4.547 4.350 -0.000 0.000 0.287 608 T C 0.025 174.796 174.700 0.119 0.000 1.007 608 T CA -0.229 61.892 62.100 0.036 0.000 1.005 608 T CB 0.789 69.688 68.868 0.051 0.000 1.012 608 T HN 0.658 nan 8.240 nan 0.000 0.530 609 T N -0.128 114.492 114.554 0.110 0.000 2.949 609 T HA 0.441 4.791 4.350 -0.000 0.000 0.287 609 T C 1.096 175.863 174.700 0.111 0.000 1.034 609 T CA -0.815 61.379 62.100 0.157 0.000 1.018 609 T CB 1.484 70.448 68.868 0.160 0.000 1.135 609 T HN 0.569 nan 8.240 nan 0.000 0.532 610 E N 0.397 120.673 120.200 0.127 0.000 2.051 610 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 610 E C 1.677 178.232 176.600 -0.076 0.000 0.991 610 E CA 1.596 57.964 56.400 -0.054 0.000 0.799 610 E CB -0.157 29.585 29.700 0.070 0.000 0.748 610 E HN 0.889 nan 8.360 nan 0.000 0.449 611 E N 0.028 120.269 120.200 0.070 0.000 2.051 611 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 611 E C 2.404 179.064 176.600 0.099 0.000 0.991 611 E CA 0.996 57.490 56.400 0.157 0.000 0.799 611 E CB -0.144 29.742 29.700 0.309 0.000 0.748 611 E HN 0.180 nan 8.360 nan 0.000 0.449 612 L N 0.907 122.115 121.223 -0.026 0.000 2.012 612 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 612 L C 2.508 179.236 176.870 -0.237 0.000 1.073 612 L CA 1.857 56.388 54.840 -0.516 0.000 0.748 612 L CB -0.953 40.783 42.059 -0.538 0.000 0.891 612 L HN 0.333 nan 8.230 nan 0.000 0.431 613 c N -0.144 118.374 118.600 -0.136 0.000 2.425 613 c HA -0.145 4.425 4.570 -0.000 0.000 0.277 613 c C 3.088 177.098 174.090 -0.134 0.000 1.280 613 c CA 1.111 57.363 56.329 -0.128 0.000 1.744 613 c CB -0.888 41.456 42.510 -0.277 0.000 1.989 613 c HN 0.690 nan 8.230 nan 0.000 0.491 614 R N 0.043 120.443 120.500 -0.168 0.000 2.073 614 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 614 R C 2.454 178.731 176.300 -0.038 0.000 1.134 614 R CA 1.426 57.464 56.100 -0.103 0.000 0.952 614 R CB -0.304 29.948 30.300 -0.079 0.000 0.850 614 R HN 0.355 nan 8.270 nan 0.000 0.433 615 R N 0.038 120.521 120.500 -0.029 0.000 2.091 615 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 615 R C 1.928 178.217 176.300 -0.019 0.000 1.136 615 R CA 1.139 57.223 56.100 -0.027 0.000 0.959 615 R CB -1.063 29.241 30.300 0.005 0.000 0.856 615 R HN 0.475 nan 8.270 nan 0.000 0.437 616 W N 0.703 121.877 121.300 -0.209 0.000 2.402 616 W HA -0.013 4.646 4.660 -0.000 0.000 0.286 616 W C 1.737 178.171 176.519 -0.142 0.000 1.221 616 W CA 0.677 57.920 57.345 -0.169 0.000 1.257 616 W CB -0.128 29.231 29.460 -0.167 0.000 1.120 616 W HN 0.011 nan 8.180 nan 0.000 0.551 617 M N 0.127 119.787 119.600 0.101 0.000 2.175 617 M HA -0.173 4.307 4.480 -0.000 0.000 0.264 617 M C 1.887 178.161 176.300 -0.044 0.000 1.063 617 M CA 1.461 56.754 55.300 -0.011 0.000 1.119 617 M CB -1.321 31.242 32.600 -0.062 0.000 1.377 617 M HN 0.124 nan 8.290 nan 0.000 0.415 618 Q N -0.113 119.665 119.800 -0.037 0.000 2.020 618 Q HA -0.194 4.145 4.340 -0.000 0.000 0.202 618 Q C 2.089 178.071 176.000 -0.030 0.000 0.982 618 Q CA 1.306 57.047 55.803 -0.103 0.000 0.838 618 Q CB -0.424 28.176 28.738 -0.230 0.000 0.899 618 Q HN 0.331 nan 8.270 nan 0.000 0.423 619 L N 0.572 121.778 121.223 -0.029 0.000 2.017 619 L HA -0.034 4.305 4.340 -0.000 0.000 0.208 619 L C 2.093 178.856 176.870 -0.179 0.000 1.073 619 L CA 2.354 57.181 54.840 -0.021 0.000 0.745 619 L CB -1.034 40.977 42.059 -0.080 0.000 0.894 619 L HN 0.194 nan 8.230 nan 0.000 0.432 620 G N -1.245 107.399 108.800 -0.261 0.000 2.471 620 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.219 620 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.219 620 G C 1.558 176.355 174.900 -0.171 0.000 1.125 620 G CA 0.615 45.449 45.100 -0.444 0.000 0.775 620 G HN 0.659 nan 8.290 nan 0.000 0.548 621 A N 0.142 122.826 122.820 -0.227 0.000 2.070 621 A HA 0.189 4.509 4.320 -0.000 0.000 0.220 621 A C 1.599 178.843 177.584 -0.567 0.000 1.159 621 A CA 0.844 52.620 52.037 -0.435 0.000 0.656 621 A CB -0.345 18.265 19.000 -0.650 0.000 0.800 621 A HN 0.342 nan 8.150 nan 0.000 0.453 622 F N -2.598 117.449 119.950 0.162 0.000 2.661 622 F HA 0.305 4.832 4.527 -0.000 0.000 0.306 622 F C -0.196 176.072 175.800 0.781 0.000 1.094 622 F CA -1.140 57.100 58.000 0.400 0.000 1.254 622 F CB -0.085 38.889 39.000 -0.043 0.000 1.040 622 F HN 0.032 nan 8.300 nan 0.000 0.562 623 Y N 2.235 122.878 120.300 0.572 0.000 2.511 623 Y HA 0.127 4.676 4.550 -0.000 0.000 0.332 623 Y C -1.183 174.959 175.900 0.403 0.000 1.177 623 Y CA -3.078 55.277 58.100 0.425 0.000 1.422 623 Y CB -0.178 38.438 38.460 0.260 0.000 1.271 623 Y HN -0.093 nan 8.280 nan 0.000 0.550 624 P HA -0.189 nan 4.420 nan 0.000 0.215 624 P C -0.062 177.470 177.300 0.386 0.000 1.157 624 P CA 1.398 64.696 63.100 0.330 0.000 0.868 624 P CB 0.138 32.001 31.700 0.272 0.000 0.788 625 F N 0.092 120.181 119.950 0.231 0.000 2.385 625 F HA 0.541 5.068 4.527 -0.000 0.000 0.360 625 F C -0.196 175.743 175.800 0.232 0.000 1.122 625 F CA -1.157 56.941 58.000 0.163 0.000 1.090 625 F CB 0.871 39.935 39.000 0.107 0.000 1.150 625 F HN -0.321 nan 8.300 nan 0.000 0.472 626 S N 7.723 123.160 115.700 -0.438 0.000 2.669 626 S HA 0.572 5.041 4.470 -0.000 0.000 0.315 626 S C -0.871 173.480 174.600 -0.414 0.000 1.106 626 S CA -0.611 57.495 58.200 -0.157 0.000 1.107 626 S CB 0.161 63.491 63.200 0.217 0.000 0.990 626 S HN 0.873 nan 8.310 nan 0.000 0.471 627 R N 3.990 124.214 120.500 -0.459 0.000 2.522 627 R HA 0.305 4.645 4.340 -0.000 0.000 0.283 627 R C -1.559 174.603 176.300 -0.231 0.000 1.074 627 R CA -0.624 55.153 56.100 -0.539 0.000 0.925 627 R CB 0.938 30.795 30.300 -0.738 0.000 1.205 627 R HN 0.576 nan 8.270 nan 0.000 0.436 628 N N 2.901 121.465 118.700 -0.227 0.000 2.408 628 N HA 0.100 4.840 4.740 -0.000 0.000 0.257 628 N C -1.539 173.968 175.510 -0.005 0.000 1.064 628 N CA 0.148 53.178 53.050 -0.032 0.000 0.952 628 N CB 0.757 39.317 38.487 0.121 0.000 1.093 628 N HN 0.619 nan 8.380 nan 0.000 0.490 629 H N 2.251 121.267 119.070 -0.091 0.000 2.851 629 H HA 0.532 5.087 4.556 -0.000 0.000 0.372 629 H C -1.325 174.078 175.328 0.126 0.000 1.158 629 H CA -0.701 55.346 56.048 -0.000 0.000 1.159 629 H CB 1.187 30.908 29.762 -0.068 0.000 1.757 629 H HN 0.543 nan 8.280 nan 0.000 0.546 630 N N 1.472 119.957 118.700 -0.359 0.000 2.277 630 N HA 0.303 5.043 4.740 -0.000 0.000 0.286 630 N C -1.268 174.058 175.510 -0.308 0.000 1.140 630 N CA -0.480 52.430 53.050 -0.232 0.000 0.799 630 N CB 2.465 40.834 38.487 -0.196 0.000 1.596 630 N HN 0.532 nan 8.380 nan 0.000 0.473 631 S N 0.308 115.716 115.700 -0.487 0.000 2.681 631 S HA 0.237 4.707 4.470 -0.000 0.000 0.270 631 S C -0.621 173.800 174.600 -0.297 0.000 1.209 631 S CA -0.396 57.468 58.200 -0.559 0.000 0.988 631 S CB 0.361 62.987 63.200 -0.956 0.000 1.006 631 S HN 0.602 nan 8.310 nan 0.000 0.558 632 D N -0.291 119.750 120.400 -0.599 0.000 2.390 632 D HA 0.440 5.079 4.640 -0.000 0.000 0.249 632 D C 1.143 176.947 176.300 -0.826 0.000 1.144 632 D CA 1.497 54.916 54.000 -0.968 0.000 0.880 632 D CB 0.287 39.955 40.800 -1.888 0.000 1.182 632 D HN 0.771 nan 8.370 nan 0.000 0.451 633 G N 2.537 110.932 108.800 -0.675 0.000 2.299 633 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.237 633 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.237 633 G C 0.155 174.684 174.900 -0.618 0.000 1.027 633 G CA 0.339 45.052 45.100 -0.644 0.000 0.619 633 G HN 0.510 nan 8.290 nan 0.000 0.513 634 Y N 1.530 121.621 120.300 -0.347 0.000 2.357 634 Y HA 0.534 5.084 4.550 -0.000 0.000 0.340 634 Y C 0.990 176.664 175.900 -0.376 0.000 1.260 634 Y CA -0.248 57.669 58.100 -0.305 0.000 1.425 634 Y CB 0.369 38.662 38.460 -0.278 0.000 1.326 634 Y HN 0.280 nan 8.280 nan 0.000 0.580 635 E N 0.940 121.048 120.200 -0.154 0.000 2.415 635 E HA -0.004 4.346 4.350 -0.000 0.000 0.262 635 E C -1.011 175.287 176.600 -0.503 0.000 1.038 635 E CA -0.023 56.166 56.400 -0.351 0.000 0.921 635 E CB 0.101 29.667 29.700 -0.223 0.000 0.950 635 E HN 0.511 nan 8.360 nan 0.000 0.438 636 H N 1.949 120.597 119.070 -0.703 0.000 3.064 636 H HA -0.029 4.526 4.556 -0.000 0.000 0.329 636 H C 0.406 175.257 175.328 -0.795 0.000 1.020 636 H CA 1.288 56.880 56.048 -0.761 0.000 1.402 636 H CB 0.514 29.727 29.762 -0.915 0.000 1.379 636 H HN 0.474 nan 8.280 nan 0.000 0.594 637 Q N 2.207 121.889 119.800 -0.196 0.000 2.086 637 Q HA 0.081 4.420 4.340 -0.000 0.000 0.220 637 Q C -0.777 175.385 176.000 0.270 0.000 0.792 637 Q CA -0.563 55.290 55.803 0.082 0.000 1.062 637 Q CB 0.446 29.262 28.738 0.129 0.000 1.198 637 Q HN 0.720 nan 8.270 nan 0.000 0.466 638 D N 1.015 121.512 120.400 0.162 0.000 2.400 638 D HA 0.018 4.657 4.640 -0.000 0.000 0.238 638 D C -1.752 174.757 176.300 0.349 0.000 1.157 638 D CA -1.106 53.016 54.000 0.204 0.000 0.889 638 D CB 1.395 42.260 40.800 0.108 0.000 1.199 638 D HN -0.118 nan 8.370 nan 0.000 0.436 639 P HA -0.135 nan 4.420 nan 0.000 0.215 639 P C 1.299 178.801 177.300 0.337 0.000 1.157 639 P CA 2.030 65.317 63.100 0.312 0.000 0.868 639 P CB -0.061 31.718 31.700 0.131 0.000 0.788 640 A N -1.456 121.480 122.820 0.193 0.000 2.121 640 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 640 A C 1.958 179.610 177.584 0.113 0.000 1.154 640 A CA 0.667 52.782 52.037 0.130 0.000 0.679 640 A CB -1.854 17.183 19.000 0.062 0.000 0.795 640 A HN 0.155 nan 8.150 nan 0.000 0.458 641 F N -0.228 119.710 119.950 -0.020 0.000 2.250 641 F HA -0.149 4.378 4.527 -0.000 0.000 0.301 641 F C 1.308 176.950 175.800 -0.264 0.000 1.077 641 F CA 1.324 59.207 58.000 -0.196 0.000 1.348 641 F CB -0.252 38.548 39.000 -0.333 0.000 1.040 641 F HN 0.236 nan 8.300 nan 0.000 0.509 642 F N 0.882 120.846 119.950 0.023 0.000 2.811 642 F HA 0.339 4.866 4.527 -0.000 0.000 0.301 642 F C 1.125 176.867 175.800 -0.097 0.000 1.151 642 F CA 0.726 58.702 58.000 -0.041 0.000 1.412 642 F CB -0.432 38.614 39.000 0.077 0.000 1.113 642 F HN 0.052 nan 8.300 nan 0.000 0.579 643 G N 0.243 109.055 108.800 0.021 0.000 3.014 643 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.683 643 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.683 643 G C 0.088 175.000 174.900 0.021 0.000 1.271 643 G CA -0.852 44.235 45.100 -0.022 0.000 0.843 643 G HN -0.120 nan 8.290 nan 0.000 0.612 644 Q N 0.852 120.652 119.800 0.000 0.000 2.197 644 Q HA -0.127 4.213 4.340 -0.000 0.000 0.207 644 Q C 1.913 177.922 176.000 0.016 0.000 0.984 644 Q CA 2.028 57.838 55.803 0.012 0.000 0.869 644 Q CB -0.011 28.728 28.738 0.002 0.000 0.906 644 Q HN 0.763 nan 8.270 nan 0.000 0.426 645 N N 0.241 118.948 118.700 0.012 0.000 2.203 645 N HA 0.013 4.753 4.740 -0.000 0.000 0.207 645 N C -0.177 175.346 175.510 0.021 0.000 1.130 645 N CA -0.128 52.930 53.050 0.013 0.000 0.861 645 N CB 0.611 39.102 38.487 0.007 0.000 1.005 645 N HN 0.077 nan 8.380 nan 0.000 0.507 646 S N 0.056 115.777 115.700 0.034 0.000 2.593 646 S HA 0.093 4.562 4.470 -0.000 0.000 0.269 646 S C 1.165 175.786 174.600 0.035 0.000 1.334 646 S CA -0.706 57.521 58.200 0.046 0.000 1.015 646 S CB 1.141 64.392 63.200 0.085 0.000 0.912 646 S HN 0.075 nan 8.310 nan 0.000 0.541 647 L N 1.792 123.033 121.223 0.030 0.000 2.046 647 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 647 L C 2.211 179.088 176.870 0.011 0.000 1.077 647 L CA 1.576 56.429 54.840 0.021 0.000 0.747 647 L CB -1.020 41.052 42.059 0.022 0.000 0.896 647 L HN 0.917 nan 8.230 nan 0.000 0.432 648 L N -1.693 119.526 121.223 -0.007 0.000 2.042 648 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 648 L C 2.323 179.185 176.870 -0.013 0.000 1.076 648 L CA 1.514 56.323 54.840 -0.053 0.000 0.749 648 L CB -0.232 41.716 42.059 -0.186 0.000 0.893 648 L HN 0.117 nan 8.230 nan 0.000 0.432 649 V N -0.063 119.866 119.914 0.026 0.000 2.295 649 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 649 V C 2.576 178.673 176.094 0.004 0.000 1.049 649 V CA 2.183 64.501 62.300 0.030 0.000 1.024 649 V CB -0.543 31.311 31.823 0.051 0.000 0.648 649 V HN 0.470 nan 8.190 nan 0.000 0.447 650 K N -0.214 120.189 120.400 0.005 0.000 2.032 650 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 650 K C 2.524 179.112 176.600 -0.020 0.000 1.048 650 K CA 1.902 58.183 56.287 -0.010 0.000 0.927 650 K CB -0.342 32.157 32.500 -0.002 0.000 0.712 650 K HN 0.411 nan 8.250 nan 0.000 0.441 651 S N -0.237 115.472 115.700 0.016 0.000 2.355 651 S HA -0.102 4.367 4.470 -0.000 0.000 0.222 651 S C 1.923 176.580 174.600 0.095 0.000 1.031 651 S CA 1.825 60.074 58.200 0.082 0.000 0.993 651 S CB -0.237 63.035 63.200 0.120 0.000 0.859 651 S HN 0.366 nan 8.310 nan 0.000 0.453 652 S N 1.139 116.854 115.700 0.025 0.000 2.382 652 S HA -0.042 4.427 4.470 -0.000 0.000 0.228 652 S C 1.919 176.469 174.600 -0.084 0.000 1.027 652 S CA 1.139 59.317 58.200 -0.035 0.000 0.991 652 S CB -0.424 62.727 63.200 -0.081 0.000 0.823 652 S HN 0.571 nan 8.310 nan 0.000 0.469 653 R N 1.263 121.719 120.500 -0.072 0.000 2.073 653 R HA -0.132 4.207 4.340 -0.000 0.000 0.234 653 R C 2.537 178.768 176.300 -0.115 0.000 1.134 653 R CA 1.639 57.687 56.100 -0.088 0.000 0.952 653 R CB -0.301 29.965 30.300 -0.056 0.000 0.850 653 R HN 0.485 nan 8.270 nan 0.000 0.433 654 Q N -0.672 119.034 119.800 -0.157 0.000 2.050 654 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 654 Q C 1.636 177.427 176.000 -0.349 0.000 0.980 654 Q CA 1.829 57.461 55.803 -0.285 0.000 0.840 654 Q CB -0.137 28.339 28.738 -0.437 0.000 0.898 654 Q HN 0.511 nan 8.270 nan 0.000 0.424 655 Y N 0.175 120.453 120.300 -0.036 0.000 2.337 655 Y HA -0.097 4.453 4.550 -0.000 0.000 0.293 655 Y C 2.106 177.901 175.900 -0.174 0.000 1.123 655 Y CA 0.613 58.683 58.100 -0.050 0.000 1.201 655 Y CB 0.083 38.542 38.460 -0.000 0.000 1.011 655 Y HN 0.097 nan 8.280 nan 0.000 0.545 656 L N -0.778 120.395 121.223 -0.082 0.000 2.131 656 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 656 L C 2.218 179.101 176.870 0.023 0.000 1.092 656 L CA 1.510 56.293 54.840 -0.095 0.000 0.759 656 L CB -0.721 41.200 42.059 -0.230 0.000 0.903 656 L HN 0.222 nan 8.230 nan 0.000 0.435 657 T N -0.057 114.479 114.554 -0.029 0.000 2.821 657 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 657 T C 1.908 176.692 174.700 0.139 0.000 1.046 657 T CA 1.143 63.262 62.100 0.031 0.000 1.139 657 T CB -0.132 68.723 68.868 -0.021 0.000 0.871 657 T HN 0.180 nan 8.240 nan 0.000 0.454 658 I N 0.864 121.496 120.570 0.103 0.000 2.179 658 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 658 I C 2.853 179.102 176.117 0.220 0.000 1.088 658 I CA 1.265 62.667 61.300 0.169 0.000 1.357 658 I CB -0.365 37.721 38.000 0.145 0.000 1.051 658 I HN 0.132 nan 8.210 nan 0.000 0.409 659 R N 0.408 120.990 120.500 0.137 0.000 2.096 659 R HA -0.254 4.086 4.340 -0.000 0.000 0.240 659 R C 2.467 178.984 176.300 0.362 0.000 1.139 659 R CA 2.104 58.330 56.100 0.210 0.000 0.952 659 R CB -0.529 29.801 30.300 0.051 0.000 0.854 659 R HN 0.243 nan 8.270 nan 0.000 0.436 660 Y N 0.980 121.383 120.300 0.172 0.000 2.181 660 Y HA -0.168 4.382 4.550 -0.000 0.000 0.288 660 Y C 2.691 178.744 175.900 0.256 0.000 1.146 660 Y CA 1.999 60.224 58.100 0.207 0.000 1.164 660 Y CB -0.701 37.858 38.460 0.164 0.000 0.982 660 Y HN 0.149 nan 8.280 nan 0.000 0.515 661 T N 0.275 115.056 114.554 0.379 0.000 2.699 661 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 661 T C 1.782 176.705 174.700 0.372 0.000 1.036 661 T CA 1.474 63.769 62.100 0.326 0.000 1.147 661 T CB -0.521 68.522 68.868 0.292 0.000 0.862 661 T HN 0.244 nan 8.240 nan 0.000 0.446 662 L N 0.517 122.003 121.223 0.438 0.000 2.591 662 L HA 0.236 4.576 4.340 -0.000 0.000 0.228 662 L C 1.917 179.160 176.870 0.621 0.000 1.133 662 L CA -0.018 55.170 54.840 0.580 0.000 0.880 662 L CB -0.402 42.080 42.059 0.706 0.000 1.033 662 L HN 0.254 nan 8.230 nan 0.000 0.450 663 L N 0.340 121.830 121.223 0.446 0.000 2.083 663 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 663 L C -0.223 176.928 176.870 0.467 0.000 1.083 663 L CA 1.344 56.363 54.840 0.298 0.000 0.752 663 L CB -1.590 40.489 42.059 0.034 0.000 0.899 663 L HN 0.252 nan 8.230 nan 0.000 0.433 664 P HA -0.215 nan 4.420 nan 0.000 0.219 664 P C 1.433 179.268 177.300 0.891 0.000 1.146 664 P CA 1.278 64.933 63.100 0.925 0.000 0.808 664 P CB -0.024 32.177 31.700 0.836 0.000 0.779 665 F N 0.383 120.679 119.950 0.576 0.000 2.098 665 F HA -0.099 4.428 4.527 -0.000 0.000 0.294 665 F C 1.959 178.013 175.800 0.422 0.000 1.107 665 F CA 0.996 59.306 58.000 0.517 0.000 1.234 665 F CB -1.239 38.056 39.000 0.491 0.000 1.002 665 F HN -0.251 nan 8.300 nan 0.000 0.472 666 L N -0.158 121.141 121.223 0.127 0.000 2.013 666 L HA -0.267 4.072 4.340 -0.000 0.000 0.212 666 L C 2.272 179.229 176.870 0.145 0.000 1.073 666 L CA 2.066 56.786 54.840 -0.199 0.000 0.753 666 L CB -1.537 40.353 42.059 -0.281 0.000 0.890 666 L HN 0.350 nan 8.230 nan 0.000 0.432 667 Y N -0.158 120.252 120.300 0.183 0.000 2.224 667 Y HA -0.223 4.326 4.550 -0.000 0.000 0.289 667 Y C 2.453 178.577 175.900 0.373 0.000 1.146 667 Y CA 2.108 60.374 58.100 0.278 0.000 1.182 667 Y CB -0.571 38.082 38.460 0.322 0.000 0.983 667 Y HN 0.229 nan 8.280 nan 0.000 0.524 668 T N 0.759 115.599 114.554 0.477 0.000 2.821 668 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 668 T C 2.069 176.918 174.700 0.247 0.000 1.046 668 T CA 1.454 63.808 62.100 0.424 0.000 1.139 668 T CB -0.422 68.811 68.868 0.609 0.000 0.871 668 T HN 0.277 nan 8.240 nan 0.000 0.454 669 L N -0.279 120.974 121.223 0.050 0.000 2.046 669 L HA -0.060 4.279 4.340 -0.000 0.000 0.208 669 L C 2.260 179.010 176.870 -0.199 0.000 1.077 669 L CA 1.416 56.171 54.840 -0.142 0.000 0.747 669 L CB -0.603 41.203 42.059 -0.423 0.000 0.896 669 L HN 0.210 nan 8.230 nan 0.000 0.432 670 F N -1.011 118.845 119.950 -0.155 0.000 2.134 670 F HA -0.281 4.246 4.527 -0.000 0.000 0.299 670 F C 2.567 178.206 175.800 -0.269 0.000 1.097 670 F CA 1.675 59.550 58.000 -0.209 0.000 1.264 670 F CB -0.794 38.061 39.000 -0.241 0.000 1.001 670 F HN 0.035 nan 8.300 nan 0.000 0.479 671 Y N 1.250 121.368 120.300 -0.304 0.000 2.128 671 Y HA -0.282 4.268 4.550 -0.000 0.000 0.284 671 Y C 2.201 177.922 175.900 -0.298 0.000 1.154 671 Y CA 1.894 59.659 58.100 -0.558 0.000 1.149 671 Y CB -0.592 37.268 38.460 -1.001 0.000 0.976 671 Y HN -0.059 nan 8.280 nan 0.000 0.505 672 K N 0.068 120.296 120.400 -0.287 0.000 2.147 672 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 672 K C 2.346 178.861 176.600 -0.141 0.000 1.049 672 K CA 0.962 57.164 56.287 -0.141 0.000 0.936 672 K CB -0.322 32.268 32.500 0.149 0.000 0.722 672 K HN 0.465 nan 8.250 nan 0.000 0.446 673 A N 0.638 123.358 122.820 -0.166 0.000 1.898 673 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 673 A C 1.944 179.414 177.584 -0.190 0.000 1.181 673 A CA 1.733 53.681 52.037 -0.148 0.000 0.620 673 A CB -0.689 18.213 19.000 -0.162 0.000 0.819 673 A HN 0.392 nan 8.150 nan 0.000 0.442 674 H N -0.626 118.250 119.070 -0.325 0.000 2.389 674 H HA -0.030 4.526 4.556 -0.000 0.000 0.299 674 H C 1.683 176.727 175.328 -0.472 0.000 1.081 674 H CA 2.033 57.866 56.048 -0.360 0.000 1.345 674 H CB 0.028 29.573 29.762 -0.361 0.000 1.393 674 H HN 0.145 nan 8.280 nan 0.000 0.520 675 V N -0.835 118.616 119.914 -0.771 0.000 2.500 675 V HA -0.050 4.070 4.120 -0.000 0.000 0.243 675 V C 1.441 176.997 176.094 -0.896 0.000 1.039 675 V CA 1.593 63.273 62.300 -1.032 0.000 1.053 675 V CB -0.336 30.541 31.823 -1.577 0.000 0.695 675 V HN 0.370 nan 8.190 nan 0.000 0.463 676 F N -0.176 119.574 119.950 -0.333 0.000 2.727 676 F HA 0.510 5.037 4.527 -0.000 0.000 0.302 676 F C 1.826 177.517 175.800 -0.182 0.000 1.107 676 F CA 0.661 58.531 58.000 -0.217 0.000 1.277 676 F CB 0.421 39.321 39.000 -0.168 0.000 1.079 676 F HN 0.230 nan 8.300 nan 0.000 0.594 677 G N 1.128 109.885 108.800 -0.072 0.000 2.136 677 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.242 677 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.242 677 G C -0.042 174.843 174.900 -0.025 0.000 0.989 677 G CA -0.227 44.824 45.100 -0.082 0.000 0.682 677 G HN 0.374 nan 8.290 nan 0.000 0.522 678 E N 1.080 121.285 120.200 0.008 0.000 2.390 678 E HA 0.431 4.780 4.350 -0.000 0.000 0.261 678 E C 1.173 177.760 176.600 -0.022 0.000 1.076 678 E CA 0.364 56.776 56.400 0.020 0.000 0.905 678 E CB 0.560 30.286 29.700 0.043 0.000 0.984 678 E HN 0.443 nan 8.360 nan 0.000 0.427 679 T N -1.622 112.937 114.554 0.009 0.000 2.882 679 T HA 0.205 4.554 4.350 -0.000 0.000 0.287 679 T C 0.841 175.468 174.700 -0.123 0.000 1.014 679 T CA -0.912 61.163 62.100 -0.042 0.000 1.049 679 T CB 1.157 70.028 68.868 0.005 0.000 1.001 679 T HN 0.175 nan 8.240 nan 0.000 0.525 680 V N 0.988 120.766 119.914 -0.227 0.000 2.543 680 V HA 0.405 4.524 4.120 -0.000 0.000 0.232 680 V C 1.686 177.683 176.094 -0.161 0.000 1.087 680 V CA 0.649 62.726 62.300 -0.371 0.000 1.113 680 V CB -0.948 30.413 31.823 -0.770 0.000 0.779 680 V HN 1.149 nan 8.190 nan 0.000 0.495 681 A N 1.554 124.329 122.820 -0.074 0.000 2.404 681 A HA 0.532 4.852 4.320 -0.000 0.000 0.273 681 A C 0.183 177.807 177.584 0.067 0.000 1.144 681 A CA 0.158 52.291 52.037 0.161 0.000 0.806 681 A CB -0.173 18.906 19.000 0.131 0.000 1.080 681 A HN 0.459 nan 8.150 nan 0.000 0.509 682 R N 3.478 124.070 120.500 0.153 0.000 2.561 682 R HA 0.507 4.846 4.340 -0.000 0.000 0.297 682 R C -3.066 173.219 176.300 -0.025 0.000 0.969 682 R CA -2.030 54.066 56.100 -0.006 0.000 0.879 682 R CB 1.812 32.159 30.300 0.078 0.000 1.178 682 R HN 0.381 nan 8.270 nan 0.000 0.445 683 P HA -0.047 nan 4.420 nan 0.000 0.268 683 P C 0.659 178.017 177.300 0.096 0.000 1.205 683 P CA -0.217 62.780 63.100 -0.171 0.000 0.771 683 P CB 0.833 32.362 31.700 -0.285 0.000 0.858 684 V N 3.217 123.260 119.914 0.214 0.000 2.380 684 V HA -0.256 3.864 4.120 -0.000 0.000 0.251 684 V C 2.137 178.514 176.094 0.473 0.000 1.063 684 V CA 2.340 64.870 62.300 0.384 0.000 1.055 684 V CB -1.385 30.638 31.823 0.333 0.000 0.657 684 V HN 0.583 nan 8.190 nan 0.000 0.455 685 L N -1.749 119.712 121.223 0.396 0.000 2.275 685 L HA -0.103 4.237 4.340 -0.000 0.000 0.215 685 L C 2.208 179.356 176.870 0.464 0.000 1.119 685 L CA 1.868 56.971 54.840 0.439 0.000 0.790 685 L CB -1.361 40.898 42.059 0.333 0.000 0.919 685 L HN 0.367 nan 8.230 nan 0.000 0.443 686 H N -0.299 118.897 119.070 0.210 0.000 2.491 686 H HA 0.001 4.557 4.556 -0.000 0.000 0.290 686 H C 1.329 176.795 175.328 0.229 0.000 1.050 686 H CA 1.050 57.215 56.048 0.195 0.000 1.309 686 H CB 0.471 30.303 29.762 0.116 0.000 1.392 686 H HN 0.506 nan 8.280 nan 0.000 0.554 687 E N -0.025 120.288 120.200 0.190 0.000 2.340 687 E HA 0.022 4.372 4.350 -0.000 0.000 0.198 687 E C 0.202 176.386 176.600 -0.693 0.000 0.961 687 E CA 0.286 56.519 56.400 -0.278 0.000 0.905 687 E CB 0.434 29.810 29.700 -0.539 0.000 0.884 687 E HN 0.350 nan 8.360 nan 0.000 0.491 688 F N 0.487 120.491 119.950 0.089 0.000 2.805 688 F HA 0.115 4.641 4.527 -0.000 0.000 0.317 688 F C 1.010 176.848 175.800 0.063 0.000 1.146 688 F CA -0.827 57.184 58.000 0.018 0.000 1.265 688 F CB -0.413 38.692 39.000 0.175 0.000 0.992 688 F HN -0.025 nan 8.300 nan 0.000 0.511 689 Y N -0.752 119.762 120.300 0.357 0.000 2.446 689 Y HA -0.146 4.404 4.550 -0.000 0.000 0.287 689 Y C 1.569 177.779 175.900 0.516 0.000 1.159 689 Y CA 0.850 59.226 58.100 0.459 0.000 1.297 689 Y CB -1.212 37.382 38.460 0.222 0.000 0.974 689 Y HN 0.226 nan 8.280 nan 0.000 0.557 690 E N 0.062 120.375 120.200 0.189 0.000 2.347 690 E HA -0.127 4.223 4.350 -0.000 0.000 0.196 690 E C 0.021 176.690 176.600 0.114 0.000 1.008 690 E CA 0.742 57.257 56.400 0.192 0.000 0.852 690 E CB 0.019 29.757 29.700 0.063 0.000 0.783 690 E HN 0.357 nan 8.360 nan 0.000 0.505 691 D N 0.181 120.650 120.400 0.114 0.000 2.427 691 D HA 0.008 4.647 4.640 -0.000 0.000 0.226 691 D C 0.948 177.083 176.300 -0.274 0.000 1.076 691 D CA -0.125 53.870 54.000 -0.007 0.000 0.849 691 D CB 1.296 42.181 40.800 0.143 0.000 1.052 691 D HN -0.044 nan 8.370 nan 0.000 0.515 692 T N 1.352 115.541 114.554 -0.609 0.000 2.881 692 T HA -0.166 4.184 4.350 -0.000 0.000 0.270 692 T C 1.420 175.720 174.700 -0.668 0.000 1.068 692 T CA 0.663 62.032 62.100 -1.217 0.000 1.131 692 T CB -0.040 68.182 68.868 -1.077 0.000 0.871 692 T HN 0.265 nan 8.240 nan 0.000 0.479 693 N N 2.198 120.639 118.700 -0.432 0.000 2.205 693 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 693 N C 2.235 177.536 175.510 -0.349 0.000 1.015 693 N CA 1.734 54.494 53.050 -0.482 0.000 0.862 693 N CB -0.518 37.437 38.487 -0.888 0.000 0.986 693 N HN 0.775 nan 8.380 nan 0.000 0.429 694 S N -0.422 115.217 115.700 -0.102 0.000 2.447 694 S HA -0.093 4.377 4.470 -0.000 0.000 0.233 694 S C 1.496 176.327 174.600 0.385 0.000 1.006 694 S CA 0.372 58.692 58.200 0.201 0.000 0.957 694 S CB -0.504 62.940 63.200 0.406 0.000 0.773 694 S HN 0.318 nan 8.310 nan 0.000 0.507 695 W N 2.522 123.867 121.300 0.074 0.000 2.468 695 W HA 0.228 4.887 4.660 -0.000 0.000 0.262 695 W C 1.909 178.633 176.519 0.341 0.000 1.241 695 W CA -0.041 57.400 57.345 0.161 0.000 1.232 695 W CB -0.802 28.586 29.460 -0.119 0.000 1.124 695 W HN 0.601 nan 8.180 nan 0.000 0.597 696 I N -2.702 118.128 120.570 0.434 0.000 4.154 696 I HA 0.264 4.434 4.170 -0.000 0.000 0.334 696 I C 0.411 176.702 176.117 0.290 0.000 1.371 696 I CA -0.258 61.262 61.300 0.366 0.000 1.110 696 I CB -0.122 38.034 38.000 0.261 0.000 1.085 696 I HN -0.382 nan 8.210 nan 0.000 0.398 697 E N 3.704 124.059 120.200 0.259 0.000 2.265 697 E HA 0.034 4.384 4.350 -0.000 0.000 0.272 697 E C -0.213 176.524 176.600 0.229 0.000 1.067 697 E CA 0.372 56.891 56.400 0.199 0.000 0.900 697 E CB 0.446 30.251 29.700 0.175 0.000 1.017 697 E HN 0.599 nan 8.360 nan 0.000 0.431 698 D N 0.883 121.397 120.400 0.191 0.000 2.563 698 D HA -0.029 4.611 4.640 -0.000 0.000 0.256 698 D C 0.426 176.811 176.300 0.142 0.000 1.400 698 D CA 0.236 54.335 54.000 0.165 0.000 0.800 698 D CB -0.356 40.582 40.800 0.229 0.000 1.145 698 D HN 0.335 nan 8.370 nan 0.000 0.501 699 T N -2.897 111.736 114.554 0.131 0.000 3.105 699 T HA 0.317 4.666 4.350 -0.000 0.000 0.253 699 T C 0.425 175.195 174.700 0.118 0.000 1.047 699 T CA -0.194 61.975 62.100 0.115 0.000 0.944 699 T CB 0.582 69.498 68.868 0.079 0.000 1.016 699 T HN 0.053 nan 8.240 nan 0.000 0.544 700 E N 0.387 120.671 120.200 0.141 0.000 2.393 700 E HA 0.684 5.034 4.350 -0.000 0.000 0.273 700 E C -1.461 175.295 176.600 0.260 0.000 0.918 700 E CA -1.253 55.212 56.400 0.107 0.000 0.773 700 E CB 2.390 32.089 29.700 -0.001 0.000 1.275 700 E HN 0.409 nan 8.360 nan 0.000 0.451 701 F N -0.790 119.160 119.950 0.001 0.000 2.779 701 F HA 0.637 5.164 4.527 -0.000 0.000 0.316 701 F C -2.014 173.834 175.800 0.080 0.000 1.164 701 F CA -1.203 56.820 58.000 0.038 0.000 0.924 701 F CB 0.839 39.866 39.000 0.046 0.000 1.348 701 F HN 0.224 nan 8.300 nan 0.000 0.467 702 L N 0.963 122.347 121.223 0.268 0.000 2.333 702 L HA 0.443 4.782 4.340 -0.000 0.000 0.269 702 L C -1.409 175.747 176.870 0.476 0.000 1.010 702 L CA -0.653 54.329 54.840 0.237 0.000 0.818 702 L CB 1.537 43.770 42.059 0.289 0.000 1.306 702 L HN 0.556 nan 8.230 nan 0.000 0.430 703 W N 2.332 123.741 121.300 0.181 0.000 2.308 703 W HA 0.545 5.205 4.660 -0.000 0.000 0.311 703 W C 0.866 177.507 176.519 0.203 0.000 1.088 703 W CA -0.114 57.346 57.345 0.192 0.000 1.309 703 W CB 0.268 29.887 29.460 0.265 0.000 1.229 703 W HN 0.788 nan 8.180 nan 0.000 0.427 704 G N 5.513 114.461 108.800 0.247 0.000 2.582 704 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.288 704 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.288 704 G C -1.521 173.517 174.900 0.230 0.000 1.247 704 G CA 0.285 45.508 45.100 0.206 0.000 0.972 704 G HN 0.352 nan 8.290 nan 0.000 0.557 705 P HA 0.363 nan 4.420 nan 0.000 0.261 705 P C 0.872 178.022 177.300 -0.250 0.000 1.268 705 P CA 1.796 64.850 63.100 -0.077 0.000 0.833 705 P CB 0.589 32.170 31.700 -0.197 0.000 1.231 706 A N -0.804 122.045 122.820 0.050 0.000 2.211 706 A HA 0.341 4.661 4.320 -0.000 0.000 0.208 706 A C 0.488 178.196 177.584 0.207 0.000 1.250 706 A CA 0.252 52.283 52.037 -0.011 0.000 0.935 706 A CB -0.005 19.019 19.000 0.041 0.000 0.982 706 A HN 0.201 nan 8.150 nan 0.000 0.490 707 L N 0.391 121.813 121.223 0.332 0.000 2.404 707 L HA 0.684 5.024 4.340 -0.000 0.000 0.272 707 L C -1.349 175.594 176.870 0.121 0.000 0.980 707 L CA -0.709 54.276 54.840 0.242 0.000 0.836 707 L CB 1.787 43.965 42.059 0.198 0.000 1.238 707 L HN 0.157 nan 8.230 nan 0.000 0.408 708 L N 6.163 127.429 121.223 0.072 0.000 2.282 708 L HA 0.637 4.977 4.340 -0.000 0.000 0.288 708 L C -1.004 175.638 176.870 -0.381 0.000 1.033 708 L CA 0.126 54.858 54.840 -0.179 0.000 0.807 708 L CB 1.095 42.903 42.059 -0.419 0.000 1.209 708 L HN 0.562 nan 8.230 nan 0.000 0.423 709 I N 4.264 124.473 120.570 -0.601 0.000 2.362 709 I HA 0.398 4.568 4.170 -0.000 0.000 0.289 709 I C -0.205 175.610 176.117 -0.503 0.000 0.994 709 I CA 0.076 60.924 61.300 -0.752 0.000 1.158 709 I CB 1.742 39.018 38.000 -1.207 0.000 1.315 709 I HN 0.533 nan 8.210 nan 0.000 0.451 710 T N 7.284 121.633 114.554 -0.342 0.000 2.977 710 T HA 0.399 4.749 4.350 -0.000 0.000 0.346 710 T C -2.585 172.018 174.700 -0.161 0.000 1.140 710 T CA -1.250 60.730 62.100 -0.201 0.000 1.040 710 T CB 0.863 69.632 68.868 -0.164 0.000 1.046 710 T HN 0.281 nan 8.240 nan 0.000 0.494 711 P HA 0.428 nan 4.420 nan 0.000 0.281 711 P C -0.552 176.719 177.300 -0.047 0.000 1.264 711 P CA -0.597 62.454 63.100 -0.082 0.000 0.824 711 P CB 1.082 32.764 31.700 -0.030 0.000 1.092 712 V N 3.020 122.915 119.914 -0.032 0.000 2.432 712 V HA 0.132 4.252 4.120 -0.000 0.000 0.271 712 V C 1.313 177.470 176.094 0.105 0.000 1.046 712 V CA 0.187 62.497 62.300 0.017 0.000 0.945 712 V CB 0.293 32.129 31.823 0.022 0.000 0.992 712 V HN 0.445 nan 8.190 nan 0.000 0.471 713 L N 4.119 125.401 121.223 0.099 0.000 2.966 713 L HA 0.366 4.706 4.340 -0.000 0.000 0.262 713 L C 0.429 177.419 176.870 0.199 0.000 1.165 713 L CA 0.064 54.998 54.840 0.157 0.000 0.978 713 L CB 0.236 42.324 42.059 0.049 0.000 1.337 713 L HN 0.472 nan 8.230 nan 0.000 0.563 714 K N 1.409 121.795 120.400 -0.024 0.000 2.324 714 K HA 0.294 4.614 4.320 -0.000 0.000 0.253 714 K C -0.701 175.367 176.600 -0.886 0.000 0.932 714 K CA -0.463 55.624 56.287 -0.333 0.000 0.799 714 K CB 2.597 34.969 32.500 -0.213 0.000 1.154 714 K HN -0.054 nan 8.250 nan 0.000 0.425 715 Q N 0.360 119.249 119.800 -1.518 0.000 2.263 715 Q HA 0.087 4.426 4.340 -0.000 0.000 0.289 715 Q C 0.645 176.220 176.000 -0.708 0.000 1.061 715 Q CA 1.549 56.330 55.803 -1.703 0.000 0.927 715 Q CB 0.124 27.988 28.738 -1.456 0.000 1.154 715 Q HN 0.895 nan 8.270 nan 0.000 0.378 716 G N 2.271 110.792 108.800 -0.465 0.000 2.179 716 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 716 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 716 G C 0.111 174.916 174.900 -0.157 0.000 0.977 716 G CA 0.049 45.020 45.100 -0.215 0.000 0.641 716 G HN 0.946 nan 8.290 nan 0.000 0.533 717 A N -0.208 122.494 122.820 -0.196 0.000 2.371 717 A HA 0.613 4.933 4.320 -0.000 0.000 0.257 717 A C 0.971 178.521 177.584 -0.056 0.000 1.089 717 A CA 0.879 52.847 52.037 -0.114 0.000 0.794 717 A CB 0.630 19.554 19.000 -0.127 0.000 1.029 717 A HN 0.198 nan 8.150 nan 0.000 0.488 718 D N -0.272 120.119 120.400 -0.015 0.000 2.454 718 D HA 0.156 4.796 4.640 -0.000 0.000 0.214 718 D C -0.271 176.048 176.300 0.032 0.000 1.088 718 D CA 1.037 55.054 54.000 0.029 0.000 0.855 718 D CB 0.599 41.474 40.800 0.124 0.000 1.025 718 D HN 0.475 nan 8.370 nan 0.000 0.502 719 T N -0.201 114.367 114.554 0.023 0.000 2.993 719 T HA 0.434 4.784 4.350 -0.000 0.000 0.312 719 T C -1.475 173.213 174.700 -0.019 0.000 1.115 719 T CA -0.578 61.546 62.100 0.041 0.000 1.027 719 T CB 2.608 71.520 68.868 0.073 0.000 1.116 719 T HN -0.194 nan 8.240 nan 0.000 0.464 720 V N 2.314 122.204 119.914 -0.040 0.000 2.588 720 V HA 0.753 4.873 4.120 -0.000 0.000 0.304 720 V C -0.101 175.937 176.094 -0.093 0.000 1.042 720 V CA -0.518 61.745 62.300 -0.063 0.000 0.877 720 V CB 1.973 33.757 31.823 -0.065 0.000 0.996 720 V HN 0.947 nan 8.190 nan 0.000 0.425 721 S N 5.633 121.284 115.700 -0.081 0.000 2.488 721 S HA 0.710 5.180 4.470 -0.000 0.000 0.278 721 S C -0.036 174.502 174.600 -0.104 0.000 1.259 721 S CA 0.256 58.396 58.200 -0.099 0.000 1.061 721 S CB 0.047 63.209 63.200 -0.063 0.000 0.910 721 S HN 1.662 nan 8.310 nan 0.000 0.491 722 A N 5.128 127.846 122.820 -0.169 0.000 2.374 722 A HA 0.546 4.865 4.320 -0.000 0.000 0.305 722 A C -1.333 176.141 177.584 -0.183 0.000 1.053 722 A CA -0.616 51.316 52.037 -0.176 0.000 0.726 722 A CB 0.779 19.624 19.000 -0.259 0.000 1.229 722 A HN 0.869 nan 8.150 nan 0.000 0.431 723 Y N 2.903 123.077 120.300 -0.210 0.000 2.393 723 Y HA 0.470 5.020 4.550 -0.000 0.000 0.338 723 Y C 0.016 175.741 175.900 -0.292 0.000 1.029 723 Y CA -0.719 57.256 58.100 -0.207 0.000 1.239 723 Y CB 0.774 39.158 38.460 -0.126 0.000 1.170 723 Y HN 0.660 nan 8.280 nan 0.000 0.515 724 I N 8.775 128.804 120.570 -0.903 0.000 2.330 724 I HA 0.576 4.746 4.170 -0.000 0.000 0.289 724 I C -2.901 172.719 176.117 -0.828 0.000 1.001 724 I CA -2.838 57.983 61.300 -0.798 0.000 1.193 724 I CB 1.254 38.893 38.000 -0.603 0.000 1.345 724 I HN 0.356 nan 8.210 nan 0.000 0.461 725 P HA 0.048 nan 4.420 nan 0.000 0.274 725 P C -0.847 176.321 177.300 -0.221 0.000 1.264 725 P CA -0.093 62.682 63.100 -0.542 0.000 0.795 725 P CB 0.383 31.297 31.700 -1.310 0.000 1.064 726 D N -0.159 120.132 120.400 -0.182 0.000 2.545 726 D HA 0.401 5.041 4.640 -0.000 0.000 0.227 726 D C -0.746 175.619 176.300 0.109 0.000 1.150 726 D CA 0.338 54.360 54.000 0.036 0.000 1.046 726 D CB -1.210 39.666 40.800 0.126 0.000 1.098 726 D HN 0.343 nan 8.370 nan 0.000 0.502 727 A N 2.698 125.511 122.820 -0.013 0.000 2.599 727 A HA 0.506 4.825 4.320 -0.000 0.000 0.290 727 A C -0.624 176.706 177.584 -0.425 0.000 1.101 727 A CA -0.779 51.111 52.037 -0.246 0.000 0.674 727 A CB 0.719 19.410 19.000 -0.514 0.000 1.277 727 A HN 0.313 nan 8.150 nan 0.000 0.419 728 I N 0.906 121.231 120.570 -0.409 0.000 2.533 728 I HA 0.133 4.303 4.170 -0.000 0.000 0.284 728 I C -0.882 174.818 176.117 -0.694 0.000 1.109 728 I CA 0.614 61.654 61.300 -0.434 0.000 1.412 728 I CB 0.321 38.127 38.000 -0.323 0.000 1.396 728 I HN 0.579 nan 8.210 nan 0.000 0.543 729 W N 6.177 127.284 121.300 -0.323 0.000 2.573 729 W HA 0.469 5.129 4.660 -0.000 0.000 0.326 729 W C -0.904 175.385 176.519 -0.384 0.000 1.049 729 W CA -0.516 56.688 57.345 -0.234 0.000 1.220 729 W CB 0.974 30.344 29.460 -0.151 0.000 1.373 729 W HN 0.228 nan 8.180 nan 0.000 0.507 730 Y N 1.566 122.064 120.300 0.330 0.000 2.335 730 Y HA 0.179 4.728 4.550 -0.000 0.000 0.338 730 Y C 0.293 176.322 175.900 0.214 0.000 0.977 730 Y CA -1.250 56.962 58.100 0.187 0.000 1.114 730 Y CB 1.030 39.532 38.460 0.069 0.000 1.182 730 Y HN 0.337 nan 8.280 nan 0.000 0.463 731 D N 1.627 122.171 120.400 0.240 0.000 2.533 731 D HA -0.162 4.478 4.640 -0.000 0.000 0.236 731 D C 0.691 176.993 176.300 0.003 0.000 1.137 731 D CA 0.593 54.567 54.000 -0.044 0.000 0.867 731 D CB 0.525 41.296 40.800 -0.049 0.000 1.170 731 D HN 0.598 nan 8.370 nan 0.000 0.474 732 Y N 3.297 123.501 120.300 -0.159 0.000 2.200 732 Y HA -0.101 4.449 4.550 -0.000 0.000 0.290 732 Y C 1.746 177.613 175.900 -0.055 0.000 1.137 732 Y CA 1.602 59.655 58.100 -0.078 0.000 1.163 732 Y CB 0.213 38.613 38.460 -0.099 0.000 0.988 732 Y HN 0.580 nan 8.280 nan 0.000 0.518 733 E N -0.726 119.503 120.200 0.048 0.000 2.107 733 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 733 E C 2.189 178.736 176.600 -0.089 0.000 0.982 733 E CA 1.406 57.805 56.400 -0.001 0.000 0.809 733 E CB -0.080 29.668 29.700 0.079 0.000 0.756 733 E HN 0.555 nan 8.360 nan 0.000 0.459 734 S N -1.423 114.234 115.700 -0.072 0.000 2.483 734 S HA 0.202 4.672 4.470 -0.000 0.000 0.221 734 S C 1.737 176.283 174.600 -0.091 0.000 1.030 734 S CA 0.409 58.566 58.200 -0.072 0.000 0.925 734 S CB 0.817 63.993 63.200 -0.041 0.000 0.795 734 S HN 0.336 nan 8.310 nan 0.000 0.511 735 G N 1.348 110.096 108.800 -0.087 0.000 2.179 735 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.260 735 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.260 735 G C 0.286 175.214 174.900 0.047 0.000 0.977 735 G CA 0.050 45.105 45.100 -0.075 0.000 0.641 735 G HN 1.313 nan 8.290 nan 0.000 0.533 736 A N 0.180 123.031 122.820 0.052 0.000 2.425 736 A HA 0.581 4.901 4.320 -0.000 0.000 0.249 736 A C 0.716 178.383 177.584 0.137 0.000 1.084 736 A CA 0.606 52.688 52.037 0.074 0.000 0.781 736 A CB 0.393 19.389 19.000 -0.007 0.000 1.019 736 A HN 0.634 nan 8.150 nan 0.000 0.490 737 K N 2.455 122.931 120.400 0.127 0.000 2.383 737 K HA 0.081 4.401 4.320 -0.000 0.000 0.286 737 K C -0.204 176.280 176.600 -0.194 0.000 1.051 737 K CA -0.351 55.885 56.287 -0.086 0.000 0.974 737 K CB 0.311 32.758 32.500 -0.089 0.000 0.968 737 K HN 0.676 nan 8.250 nan 0.000 0.475 738 R N 4.296 124.622 120.500 -0.290 0.000 2.543 738 R HA 0.082 4.422 4.340 -0.000 0.000 0.277 738 R C -1.841 174.190 176.300 -0.448 0.000 1.074 738 R CA -1.702 54.063 56.100 -0.558 0.000 1.076 738 R CB 0.408 30.220 30.300 -0.812 0.000 0.993 738 R HN 0.571 nan 8.270 nan 0.000 0.459 739 P HA 0.095 nan 4.420 nan 0.000 0.249 739 P C -0.758 176.522 177.300 -0.032 0.000 1.593 739 P CA 0.081 63.050 63.100 -0.219 0.000 0.896 739 P CB 0.208 31.823 31.700 -0.142 0.000 1.581 740 W N 0.852 122.116 121.300 -0.060 0.000 2.632 740 W HA 0.609 5.269 4.660 -0.000 0.000 0.328 740 W C 0.337 176.819 176.519 -0.062 0.000 1.044 740 W CA -0.836 56.455 57.345 -0.091 0.000 1.225 740 W CB 1.484 30.848 29.460 -0.159 0.000 1.396 740 W HN -0.090 nan 8.180 nan 0.000 0.499 741 R N 2.543 123.127 120.500 0.140 0.000 2.523 741 R HA 0.151 4.490 4.340 -0.000 0.000 0.278 741 R C -0.154 176.124 176.300 -0.036 0.000 1.150 741 R CA -0.770 55.371 56.100 0.069 0.000 0.987 741 R CB 1.079 31.410 30.300 0.053 0.000 1.232 741 R HN 0.567 nan 8.270 nan 0.000 0.424 742 K N 3.199 123.516 120.400 -0.139 0.000 3.419 742 K HA -0.240 4.080 4.320 -0.000 0.000 0.272 742 K C -1.512 174.966 176.600 -0.202 0.000 0.973 742 K CA 1.757 57.928 56.287 -0.194 0.000 0.749 742 K CB -0.680 31.811 32.500 -0.014 0.000 1.403 742 K HN 0.788 nan 8.250 nan 0.000 0.456 743 Q N -0.394 119.149 119.800 -0.428 0.000 2.578 743 Q HA 0.351 4.691 4.340 -0.000 0.000 0.284 743 Q C -1.330 174.455 176.000 -0.359 0.000 0.960 743 Q CA -1.335 54.328 55.803 -0.233 0.000 0.809 743 Q CB 1.066 29.725 28.738 -0.132 0.000 1.462 743 Q HN 0.269 nan 8.270 nan 0.000 0.392 744 R N 1.222 121.647 120.500 -0.124 0.000 2.254 744 R HA 0.551 4.891 4.340 -0.000 0.000 0.318 744 R C -0.579 175.561 176.300 -0.267 0.000 1.031 744 R CA -0.295 55.728 56.100 -0.128 0.000 0.905 744 R CB 1.199 31.512 30.300 0.022 0.000 1.050 744 R HN 0.575 nan 8.270 nan 0.000 0.456 745 V N 0.471 120.129 119.914 -0.426 0.000 2.864 745 V HA 0.446 4.566 4.120 -0.000 0.000 0.314 745 V C -0.821 175.021 176.094 -0.420 0.000 1.073 745 V CA -1.075 60.886 62.300 -0.565 0.000 0.956 745 V CB 2.227 33.306 31.823 -1.241 0.000 1.023 745 V HN 0.692 nan 8.190 nan 0.000 0.435 746 D N 4.509 124.725 120.400 -0.305 0.000 2.422 746 D HA 0.246 4.886 4.640 -0.000 0.000 0.227 746 D C -0.149 176.046 176.300 -0.174 0.000 1.190 746 D CA 0.324 54.211 54.000 -0.188 0.000 0.905 746 D CB 1.380 42.121 40.800 -0.098 0.000 1.034 746 D HN 0.714 nan 8.370 nan 0.000 0.507 747 M N 3.318 122.802 119.600 -0.192 0.000 2.184 747 M HA 0.043 4.523 4.480 -0.000 0.000 0.351 747 M C -0.744 175.606 176.300 0.082 0.000 1.395 747 M CA -0.630 54.615 55.300 -0.091 0.000 1.117 747 M CB 0.494 33.012 32.600 -0.138 0.000 1.708 747 M HN 0.251 nan 8.290 nan 0.000 0.468 748 Y N 6.760 127.091 120.300 0.052 0.000 2.587 748 Y HA 0.335 4.885 4.550 -0.000 0.000 0.344 748 Y C -1.393 174.539 175.900 0.054 0.000 1.061 748 Y CA -0.101 58.029 58.100 0.049 0.000 1.370 748 Y CB 0.120 38.621 38.460 0.069 0.000 1.163 748 Y HN 0.599 nan 8.280 nan 0.000 0.527 749 L N 10.403 131.409 121.223 -0.363 0.000 2.462 749 L HA 0.352 4.692 4.340 -0.000 0.000 0.255 749 L C -2.294 174.329 176.870 -0.413 0.000 1.076 749 L CA -1.965 52.661 54.840 -0.357 0.000 0.920 749 L CB 1.334 43.297 42.059 -0.159 0.000 1.214 749 L HN 0.506 nan 8.230 nan 0.000 0.472 750 P HA 0.072 nan 4.420 nan 0.000 0.275 750 P C 0.802 178.021 177.300 -0.135 0.000 1.270 750 P CA -0.255 62.643 63.100 -0.336 0.000 0.791 750 P CB 1.104 32.618 31.700 -0.310 0.000 1.089 751 A N 0.902 123.692 122.820 -0.051 0.000 1.997 751 A HA -0.211 4.109 4.320 -0.000 0.000 0.221 751 A C 1.337 178.927 177.584 0.010 0.000 1.172 751 A CA 2.379 54.413 52.037 -0.004 0.000 0.645 751 A CB -1.424 17.587 19.000 0.018 0.000 0.813 751 A HN 0.698 nan 8.150 nan 0.000 0.454 752 D N -1.935 118.475 120.400 0.016 0.000 2.424 752 D HA 0.187 4.826 4.640 -0.000 0.000 0.220 752 D C 0.254 176.644 176.300 0.149 0.000 1.150 752 D CA -0.011 54.035 54.000 0.076 0.000 0.831 752 D CB -0.060 40.779 40.800 0.065 0.000 0.981 752 D HN 0.376 nan 8.370 nan 0.000 0.500 753 K N 0.495 120.919 120.400 0.040 0.000 2.482 753 K HA 0.499 4.819 4.320 -0.000 0.000 0.251 753 K C -1.569 174.937 176.600 -0.155 0.000 0.936 753 K CA -0.862 55.438 56.287 0.021 0.000 0.791 753 K CB 2.433 34.920 32.500 -0.022 0.000 1.213 753 K HN 0.052 nan 8.250 nan 0.000 0.428 754 I N 1.944 122.309 120.570 -0.342 0.000 2.562 754 I HA 0.460 4.629 4.170 -0.000 0.000 0.301 754 I C 0.133 176.081 176.117 -0.282 0.000 1.003 754 I CA -0.564 60.513 61.300 -0.372 0.000 1.127 754 I CB 1.664 39.324 38.000 -0.566 0.000 1.304 754 I HN 0.778 nan 8.210 nan 0.000 0.446 755 G N 7.369 116.036 108.800 -0.221 0.000 2.361 755 G HA2 0.460 4.420 3.960 -0.000 0.000 0.260 755 G HA3 0.460 4.420 3.960 -0.000 0.000 0.260 755 G C -0.972 173.755 174.900 -0.288 0.000 1.261 755 G CA -0.268 44.740 45.100 -0.154 0.000 0.897 755 G HN 0.530 nan 8.290 nan 0.000 0.499 756 L N 2.831 123.852 121.223 -0.337 0.000 2.482 756 L HA 0.371 4.711 4.340 -0.000 0.000 0.269 756 L C -1.101 175.523 176.870 -0.410 0.000 0.967 756 L CA -0.811 53.793 54.840 -0.393 0.000 0.851 756 L CB 2.234 44.040 42.059 -0.420 0.000 1.242 756 L HN 0.616 nan 8.230 nan 0.000 0.404 757 H N 2.963 122.015 119.070 -0.030 0.000 2.667 757 H HA 0.549 5.104 4.556 -0.000 0.000 0.353 757 H C -0.915 174.626 175.328 0.354 0.000 1.072 757 H CA -0.444 55.710 56.048 0.177 0.000 1.214 757 H CB 2.311 32.146 29.762 0.121 0.000 1.600 757 H HN 0.370 nan 8.280 nan 0.000 0.527 758 L N 2.697 124.222 121.223 0.502 0.000 2.276 758 L HA 0.397 4.736 4.340 -0.000 0.000 0.286 758 L C 0.569 177.708 176.870 0.448 0.000 1.061 758 L CA -0.491 54.604 54.840 0.426 0.000 0.807 758 L CB 0.953 43.190 42.059 0.296 0.000 1.177 758 L HN 0.434 nan 8.230 nan 0.000 0.429 759 R N 1.959 122.587 120.500 0.213 0.000 2.442 759 R HA 0.272 4.612 4.340 -0.000 0.000 0.291 759 R C 0.277 176.623 176.300 0.076 0.000 1.069 759 R CA -0.266 55.668 56.100 -0.278 0.000 1.022 759 R CB 0.846 30.898 30.300 -0.414 0.000 0.976 759 R HN 0.796 nan 8.270 nan 0.000 0.443 760 G N 1.175 109.989 108.800 0.024 0.000 2.491 760 G HA2 0.348 4.308 3.960 -0.000 0.000 0.238 760 G HA3 0.348 4.308 3.960 -0.000 0.000 0.238 760 G C 0.747 175.778 174.900 0.218 0.000 1.277 760 G CA 0.185 45.422 45.100 0.228 0.000 0.851 760 G HN 0.935 nan 8.290 nan 0.000 0.573 761 G N -0.331 108.550 108.800 0.136 0.000 2.176 761 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.232 761 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.232 761 G C -0.030 174.648 174.900 -0.371 0.000 0.986 761 G CA 0.452 45.497 45.100 -0.092 0.000 0.643 761 G HN 0.834 nan 8.290 nan 0.000 0.522 762 Y N -0.495 119.834 120.300 0.049 0.000 2.462 762 Y HA 0.725 5.275 4.550 -0.000 0.000 0.346 762 Y C 0.389 176.304 175.900 0.025 0.000 0.976 762 Y CA -1.134 57.004 58.100 0.063 0.000 1.044 762 Y CB 1.736 40.241 38.460 0.076 0.000 1.230 762 Y HN 0.078 nan 8.280 nan 0.000 0.455 763 I N 5.327 125.995 120.570 0.163 0.000 2.389 763 I HA 0.452 4.622 4.170 -0.000 0.000 0.288 763 I C -0.683 175.478 176.117 0.073 0.000 0.999 763 I CA -0.747 60.581 61.300 0.047 0.000 1.129 763 I CB 1.198 39.221 38.000 0.038 0.000 1.288 763 I HN 0.491 nan 8.210 nan 0.000 0.444 764 I N 5.786 126.312 120.570 -0.073 0.000 2.530 764 I HA 0.709 4.879 4.170 -0.000 0.000 0.297 764 I C -2.733 173.357 176.117 -0.045 0.000 1.011 764 I CA -2.372 58.883 61.300 -0.076 0.000 1.107 764 I CB 2.265 39.967 38.000 -0.495 0.000 1.285 764 I HN 0.212 nan 8.210 nan 0.000 0.436 765 P HA 0.444 nan 4.420 nan 0.000 0.284 765 P C -0.901 176.514 177.300 0.192 0.000 1.253 765 P CA -0.202 62.943 63.100 0.076 0.000 0.800 765 P CB 1.633 33.445 31.700 0.187 0.000 0.961 766 I N -1.364 119.259 120.570 0.088 0.000 3.074 766 I HA 0.679 4.849 4.170 -0.000 0.000 0.310 766 I C -1.276 174.908 176.117 0.111 0.000 1.153 766 I CA -1.434 59.970 61.300 0.173 0.000 0.993 766 I CB 2.702 40.790 38.000 0.147 0.000 1.237 766 I HN 0.258 nan 8.210 nan 0.000 0.443 767 Q N 1.806 121.709 119.800 0.172 0.000 2.331 767 Q HA 0.354 4.694 4.340 -0.000 0.000 0.272 767 Q C -1.349 174.736 176.000 0.142 0.000 1.062 767 Q CA -0.620 55.254 55.803 0.117 0.000 0.806 767 Q CB 2.519 31.354 28.738 0.162 0.000 1.312 767 Q HN 0.708 nan 8.270 nan 0.000 0.431 768 E N 4.733 124.985 120.200 0.086 0.000 2.558 768 E HA 0.000 4.350 4.350 -0.000 0.000 0.255 768 E C -2.093 174.586 176.600 0.132 0.000 0.968 768 E CA -0.795 55.658 56.400 0.089 0.000 0.939 768 E CB 0.369 30.096 29.700 0.046 0.000 0.921 768 E HN 0.367 nan 8.360 nan 0.000 0.477 769 P HA 0.201 nan 4.420 nan 0.000 0.278 769 P C -0.648 176.740 177.300 0.146 0.000 1.266 769 P CA -0.183 63.037 63.100 0.200 0.000 0.807 769 P CB 1.179 33.000 31.700 0.202 0.000 1.094 770 D N -1.518 118.983 120.400 0.169 0.000 2.825 770 D HA 0.110 4.749 4.640 -0.000 0.000 0.327 770 D C 0.702 177.021 176.300 0.031 0.000 1.277 770 D CA -0.371 53.685 54.000 0.092 0.000 0.950 770 D CB 1.464 42.325 40.800 0.100 0.000 1.438 770 D HN 0.087 nan 8.370 nan 0.000 0.526 771 V N -1.519 118.395 119.914 -0.000 0.000 3.541 771 V HA 0.271 4.390 4.120 -0.000 0.000 0.267 771 V C 0.797 176.870 176.094 -0.034 0.000 1.213 771 V CA 1.315 63.568 62.300 -0.079 0.000 1.149 771 V CB -0.638 31.171 31.823 -0.024 0.000 0.822 771 V HN 0.574 nan 8.190 nan 0.000 0.462 772 T N -3.632 110.991 114.554 0.116 0.000 2.883 772 T HA 0.424 4.774 4.350 -0.000 0.000 0.296 772 T C 0.828 175.744 174.700 0.360 0.000 1.117 772 T CA 0.346 62.588 62.100 0.236 0.000 1.006 772 T CB 1.597 70.514 68.868 0.082 0.000 1.191 772 T HN 0.386 nan 8.240 nan 0.000 0.508 773 T N -1.574 113.200 114.554 0.366 0.000 2.985 773 T HA -0.034 4.316 4.350 -0.000 0.000 0.266 773 T C 1.856 176.676 174.700 0.200 0.000 1.076 773 T CA 1.554 63.849 62.100 0.324 0.000 1.135 773 T CB -1.208 67.881 68.868 0.368 0.000 0.890 773 T HN 0.662 nan 8.240 nan 0.000 0.480 774 T N 2.261 116.893 114.554 0.130 0.000 2.720 774 T HA 0.001 4.351 4.350 -0.000 0.000 0.268 774 T C 2.412 177.150 174.700 0.064 0.000 1.037 774 T CA 1.513 63.647 62.100 0.056 0.000 1.144 774 T CB -0.790 68.079 68.868 0.002 0.000 0.864 774 T HN 0.630 nan 8.240 nan 0.000 0.444 775 A N 1.660 124.530 122.820 0.084 0.000 1.872 775 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 775 A C 2.618 180.268 177.584 0.110 0.000 1.187 775 A CA 1.973 54.056 52.037 0.077 0.000 0.614 775 A CB -0.969 18.071 19.000 0.066 0.000 0.826 775 A HN 0.576 nan 8.150 nan 0.000 0.442 776 S N -0.048 115.757 115.700 0.175 0.000 2.399 776 S HA -0.188 4.281 4.470 -0.000 0.000 0.231 776 S C 1.954 176.665 174.600 0.185 0.000 1.022 776 S CA 1.275 59.599 58.200 0.208 0.000 0.983 776 S CB -0.522 62.872 63.200 0.323 0.000 0.803 776 S HN 0.561 nan 8.310 nan 0.000 0.480 777 R N 1.142 121.740 120.500 0.163 0.000 2.193 777 R HA 0.063 4.402 4.340 -0.000 0.000 0.229 777 R C 2.073 178.474 176.300 0.169 0.000 1.110 777 R CA 1.339 57.540 56.100 0.169 0.000 0.988 777 R CB -0.174 30.133 30.300 0.010 0.000 0.871 777 R HN 0.525 nan 8.270 nan 0.000 0.458 778 K N -0.275 120.186 120.400 0.102 0.000 2.418 778 K HA 0.037 4.357 4.320 -0.000 0.000 0.195 778 K C 0.270 176.888 176.600 0.029 0.000 1.035 778 K CA 0.098 56.422 56.287 0.061 0.000 1.003 778 K CB 0.158 32.682 32.500 0.041 0.000 0.793 778 K HN 0.078 nan 8.250 nan 0.000 0.494 779 N N 1.513 120.236 118.700 0.039 0.000 2.483 779 N HA 0.149 4.889 4.740 -0.000 0.000 0.269 779 N C -2.654 172.833 175.510 -0.038 0.000 1.209 779 N CA -1.904 51.154 53.050 0.013 0.000 0.969 779 N CB 0.304 38.819 38.487 0.047 0.000 1.173 779 N HN -0.203 nan 8.380 nan 0.000 0.475 780 P HA 0.022 nan 4.420 nan 0.000 0.265 780 P C -0.291 176.944 177.300 -0.107 0.000 1.187 780 P CA 0.384 63.428 63.100 -0.092 0.000 0.766 780 P CB 0.542 32.206 31.700 -0.060 0.000 0.820 781 L N 1.745 122.855 121.223 -0.189 0.000 2.400 781 L HA 0.835 5.175 4.340 -0.000 0.000 0.264 781 L C 1.151 177.996 176.870 -0.042 0.000 1.061 781 L CA -0.065 54.666 54.840 -0.182 0.000 0.799 781 L CB 1.123 42.910 42.059 -0.454 0.000 1.240 781 L HN 0.463 nan 8.230 nan 0.000 0.461 782 G N 0.110 108.916 108.800 0.011 0.000 2.682 782 G HA2 0.725 4.684 3.960 -0.000 0.000 0.290 782 G HA3 0.725 4.684 3.960 -0.000 0.000 0.290 782 G C -1.898 172.911 174.900 -0.152 0.000 1.425 782 G CA -0.608 44.474 45.100 -0.030 0.000 0.807 782 G HN 0.353 nan 8.290 nan 0.000 0.482 783 L N -0.081 120.960 121.223 -0.303 0.000 2.401 783 L HA 0.595 4.935 4.340 -0.000 0.000 0.266 783 L C -0.760 175.918 176.870 -0.320 0.000 0.991 783 L CA -0.746 53.833 54.840 -0.435 0.000 0.818 783 L CB 2.598 44.200 42.059 -0.762 0.000 1.321 783 L HN 0.334 nan 8.230 nan 0.000 0.413 784 I N 2.923 123.334 120.570 -0.265 0.000 2.355 784 I HA 0.344 4.513 4.170 -0.000 0.000 0.288 784 I C -0.593 175.385 176.117 -0.231 0.000 0.999 784 I CA -0.757 60.402 61.300 -0.235 0.000 1.163 784 I CB 1.903 39.802 38.000 -0.169 0.000 1.316 784 I HN 0.182 nan 8.210 nan 0.000 0.454 785 V N 6.008 125.765 119.914 -0.262 0.000 2.350 785 V HA 0.526 4.646 4.120 -0.000 0.000 0.276 785 V C 0.449 176.407 176.094 -0.227 0.000 1.028 785 V CA -0.495 61.681 62.300 -0.207 0.000 0.860 785 V CB 1.357 33.053 31.823 -0.213 0.000 0.990 785 V HN 0.812 nan 8.190 nan 0.000 0.453 786 A N 6.639 129.376 122.820 -0.138 0.000 2.256 786 A HA 0.707 5.027 4.320 -0.000 0.000 0.317 786 A C -0.372 177.204 177.584 -0.013 0.000 1.318 786 A CA -0.490 51.440 52.037 -0.178 0.000 0.894 786 A CB 0.185 19.209 19.000 0.040 0.000 1.165 786 A HN 0.838 nan 8.150 nan 0.000 0.525 787 L N 2.974 124.168 121.223 -0.048 0.000 2.410 787 L HA 0.330 4.670 4.340 -0.000 0.000 0.273 787 L C 1.365 178.342 176.870 0.179 0.000 1.152 787 L CA -0.108 54.782 54.840 0.083 0.000 0.855 787 L CB 0.770 42.881 42.059 0.086 0.000 1.129 787 L HN 0.828 nan 8.230 nan 0.000 0.463 788 G N 1.846 110.706 108.800 0.100 0.000 2.588 788 G HA2 0.183 4.143 3.960 -0.000 0.000 0.281 788 G HA3 0.183 4.143 3.960 -0.000 0.000 0.281 788 G C 0.507 175.442 174.900 0.059 0.000 1.236 788 G CA -0.375 44.766 45.100 0.070 0.000 0.969 788 G HN 0.778 nan 8.290 nan 0.000 0.504 789 E N -0.085 120.133 120.200 0.031 0.000 2.204 789 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 789 E C 1.546 178.162 176.600 0.026 0.000 0.989 789 E CA 0.866 57.281 56.400 0.024 0.000 0.824 789 E CB 0.111 29.817 29.700 0.010 0.000 0.756 789 E HN 0.346 nan 8.360 nan 0.000 0.477 790 N N 0.908 119.621 118.700 0.021 0.000 2.314 790 N HA 0.050 4.790 4.740 -0.000 0.000 0.200 790 N C -0.460 175.062 175.510 0.020 0.000 1.135 790 N CA 0.086 53.145 53.050 0.016 0.000 0.835 790 N CB 0.111 38.603 38.487 0.008 0.000 0.989 790 N HN 0.200 nan 8.380 nan 0.000 0.478 791 N N 0.194 118.916 118.700 0.037 0.000 2.776 791 N HA -0.131 4.609 4.740 -0.000 0.000 0.249 791 N C -0.917 174.620 175.510 0.045 0.000 1.111 791 N CA 0.729 53.810 53.050 0.052 0.000 0.711 791 N CB -0.813 37.699 38.487 0.042 0.000 1.065 791 N HN 0.153 nan 8.380 nan 0.000 0.556 792 T N 0.083 114.655 114.554 0.031 0.000 2.916 792 T HA 0.862 5.211 4.350 -0.000 0.000 0.292 792 T C -0.505 174.196 174.700 0.002 0.000 1.064 792 T CA -0.019 62.089 62.100 0.014 0.000 1.011 792 T CB 2.503 71.367 68.868 -0.007 0.000 1.152 792 T HN 0.367 nan 8.240 nan 0.000 0.510 793 A N 1.778 124.593 122.820 -0.008 0.000 2.605 793 A HA 0.773 5.093 4.320 -0.000 0.000 0.294 793 A C -1.779 175.788 177.584 -0.028 0.000 1.062 793 A CA -0.949 51.060 52.037 -0.046 0.000 0.682 793 A CB 1.495 20.495 19.000 0.000 0.000 1.278 793 A HN 0.518 nan 8.150 nan 0.000 0.410 794 K N 0.059 120.414 120.400 -0.074 0.000 2.512 794 K HA 0.836 5.155 4.320 -0.000 0.000 0.263 794 K C -0.198 176.481 176.600 0.131 0.000 0.966 794 K CA -0.131 56.176 56.287 0.033 0.000 0.851 794 K CB 2.433 34.923 32.500 -0.015 0.000 1.395 794 K HN 1.558 nan 8.250 nan 0.000 0.440 795 G N 0.437 109.412 108.800 0.292 0.000 2.606 795 G HA2 0.610 4.570 3.960 -0.000 0.000 0.300 795 G HA3 0.610 4.570 3.960 -0.000 0.000 0.300 795 G C -1.872 173.269 174.900 0.403 0.000 1.360 795 G CA -0.629 44.734 45.100 0.438 0.000 0.783 795 G HN 0.634 nan 8.290 nan 0.000 0.484 796 D N -2.426 118.252 120.400 0.464 0.000 2.643 796 D HA 0.720 5.360 4.640 -0.000 0.000 0.283 796 D C -1.547 175.098 176.300 0.575 0.000 1.242 796 D CA -0.736 53.406 54.000 0.236 0.000 0.863 796 D CB 2.283 43.235 40.800 0.254 0.000 1.382 796 D HN 0.636 nan 8.370 nan 0.000 0.444 797 F N 0.399 120.534 119.950 0.307 0.000 2.623 797 F HA 0.602 5.128 4.527 -0.000 0.000 0.323 797 F C -2.500 173.594 175.800 0.490 0.000 1.158 797 F CA -1.523 56.797 58.000 0.533 0.000 1.030 797 F CB 1.585 41.014 39.000 0.715 0.000 1.280 797 F HN 0.445 nan 8.300 nan 0.000 0.474 798 F N 7.170 127.033 119.950 -0.144 0.000 2.495 798 F HA 0.659 5.186 4.527 -0.000 0.000 0.327 798 F C -1.953 173.676 175.800 -0.284 0.000 1.103 798 F CA -0.809 56.978 58.000 -0.355 0.000 0.949 798 F CB 1.429 40.084 39.000 -0.574 0.000 1.142 798 F HN 0.603 nan 8.300 nan 0.000 0.457 799 W N 8.693 129.229 121.300 -1.273 0.000 3.132 799 W HA 0.273 4.933 4.660 -0.000 0.000 0.337 799 W C -1.827 174.260 176.519 -0.720 0.000 1.082 799 W CA -0.636 56.236 57.345 -0.788 0.000 1.242 799 W CB 1.857 31.031 29.460 -0.477 0.000 1.354 799 W HN 0.771 nan 8.180 nan 0.000 0.461 800 D N 1.482 121.272 120.400 -1.018 0.000 2.801 800 D HA 0.174 4.814 4.640 -0.000 0.000 0.277 800 D C 0.740 176.286 176.300 -1.257 0.000 1.125 800 D CA -0.230 53.177 54.000 -0.988 0.000 1.102 800 D CB 0.055 40.544 40.800 -0.518 0.000 1.400 800 D HN 0.269 nan 8.370 nan 0.000 0.601 801 D N -1.649 118.038 120.400 -1.189 0.000 2.378 801 D HA 0.113 4.753 4.640 -0.000 0.000 0.227 801 D C 1.550 177.607 176.300 -0.406 0.000 1.012 801 D CA 0.930 54.536 54.000 -0.657 0.000 0.905 801 D CB -0.519 40.061 40.800 -0.367 0.000 0.895 801 D HN 0.869 nan 8.370 nan 0.000 0.532 802 G N 0.785 109.347 108.800 -0.397 0.000 2.162 802 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 802 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 802 G C 0.627 175.499 174.900 -0.046 0.000 0.976 802 G CA 0.784 45.728 45.100 -0.261 0.000 0.655 802 G HN 0.637 nan 8.290 nan 0.000 0.533 803 E N -2.466 117.710 120.200 -0.039 0.000 2.626 803 E HA 0.112 4.462 4.350 -0.000 0.000 0.194 803 E C 0.273 176.875 176.600 0.003 0.000 0.950 803 E CA 0.371 56.782 56.400 0.018 0.000 1.583 803 E CB 0.054 29.790 29.700 0.061 0.000 1.881 803 E HN 0.240 nan 8.360 nan 0.000 0.979 804 T N 2.054 116.595 114.554 -0.022 0.000 2.832 804 T HA 0.110 4.460 4.350 -0.000 0.000 0.296 804 T C 0.538 175.234 174.700 -0.007 0.000 0.968 804 T CA -0.245 61.850 62.100 -0.008 0.000 1.107 804 T CB 1.691 70.551 68.868 -0.012 0.000 0.916 804 T HN 0.017 nan 8.240 nan 0.000 0.517 805 K N 2.188 122.590 120.400 0.004 0.000 2.015 805 K HA -0.135 4.184 4.320 -0.000 0.000 0.216 805 K C 0.746 177.340 176.600 -0.012 0.000 1.052 805 K CA 1.734 58.017 56.287 -0.006 0.000 0.937 805 K CB -0.095 32.416 32.500 0.018 0.000 0.719 805 K HN 0.418 nan 8.250 nan 0.000 0.446 806 D N -0.569 119.842 120.400 0.018 0.000 2.895 806 D HA 0.099 4.739 4.640 -0.000 0.000 0.258 806 D C 0.432 176.773 176.300 0.069 0.000 1.311 806 D CA 0.234 54.257 54.000 0.038 0.000 0.843 806 D CB 0.331 41.161 40.800 0.049 0.000 1.055 806 D HN 0.407 nan 8.370 nan 0.000 0.486 807 T N -2.211 112.384 114.554 0.068 0.000 2.746 807 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 807 T C 2.049 176.914 174.700 0.275 0.000 1.039 807 T CA 0.726 62.909 62.100 0.138 0.000 1.142 807 T CB -0.088 68.843 68.868 0.106 0.000 0.866 807 T HN 0.200 nan 8.240 nan 0.000 0.444 808 I N 1.169 121.858 120.570 0.198 0.000 2.233 808 I HA -0.104 4.066 4.170 -0.000 0.000 0.243 808 I C 3.019 179.270 176.117 0.225 0.000 1.093 808 I CA 1.325 62.739 61.300 0.189 0.000 1.380 808 I CB -0.505 37.487 38.000 -0.013 0.000 1.067 808 I HN 0.224 nan 8.210 nan 0.000 0.413 809 Q N 1.435 121.318 119.800 0.139 0.000 2.133 809 Q HA -0.227 4.113 4.340 -0.000 0.000 0.208 809 Q C 1.544 177.614 176.000 0.118 0.000 0.991 809 Q CA 1.900 57.766 55.803 0.106 0.000 0.867 809 Q CB -0.115 28.672 28.738 0.081 0.000 0.911 809 Q HN 0.438 nan 8.270 nan 0.000 0.417 810 N N -1.366 117.416 118.700 0.137 0.000 2.336 810 N HA 0.140 4.880 4.740 -0.000 0.000 0.189 810 N C 0.416 176.005 175.510 0.132 0.000 1.113 810 N CA 0.862 53.981 53.050 0.116 0.000 0.858 810 N CB 0.852 39.395 38.487 0.093 0.000 0.970 810 N HN 0.403 nan 8.380 nan 0.000 0.471 811 G N 1.363 110.285 108.800 0.202 0.000 2.160 811 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.251 811 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.251 811 G C -0.178 174.731 174.900 0.016 0.000 1.008 811 G CA -0.269 44.864 45.100 0.055 0.000 0.724 811 G HN 0.262 nan 8.290 nan 0.000 0.514 812 N N 0.500 119.304 118.700 0.174 0.000 3.229 812 N HA 0.520 5.259 4.740 -0.000 0.000 0.275 812 N C -0.241 175.375 175.510 0.177 0.000 1.225 812 N CA 0.399 53.528 53.050 0.131 0.000 1.119 812 N CB -0.056 38.496 38.487 0.109 0.000 1.392 812 N HN 0.793 nan 8.380 nan 0.000 0.520 813 Y N -1.827 118.565 120.300 0.154 0.000 2.779 813 Y HA 0.586 5.135 4.550 -0.000 0.000 0.340 813 Y C -1.500 174.492 175.900 0.154 0.000 1.252 813 Y CA -1.343 56.767 58.100 0.016 0.000 1.072 813 Y CB 0.972 39.382 38.460 -0.083 0.000 1.343 813 Y HN -0.101 nan 8.280 nan 0.000 0.450 814 I N 2.503 123.234 120.570 0.269 0.000 2.436 814 I HA 0.497 4.667 4.170 -0.000 0.000 0.289 814 I C -1.533 174.725 176.117 0.236 0.000 1.010 814 I CA -0.908 60.536 61.300 0.239 0.000 1.098 814 I CB 1.934 40.114 38.000 0.299 0.000 1.266 814 I HN 0.551 nan 8.210 nan 0.000 0.434 815 L N 7.409 128.781 121.223 0.249 0.000 2.385 815 L HA 0.575 4.915 4.340 -0.000 0.000 0.273 815 L C -1.736 175.184 176.870 0.082 0.000 0.990 815 L CA -0.321 54.657 54.840 0.231 0.000 0.821 815 L CB 1.572 43.842 42.059 0.352 0.000 1.279 815 L HN 0.337 nan 8.230 nan 0.000 0.412 816 Y N 1.386 121.771 120.300 0.142 0.000 2.485 816 Y HA 0.690 5.240 4.550 -0.000 0.000 0.345 816 Y C 0.224 176.002 175.900 -0.204 0.000 0.998 816 Y CA -0.433 57.677 58.100 0.017 0.000 1.059 816 Y CB 2.460 40.973 38.460 0.087 0.000 1.234 816 Y HN 0.679 nan 8.280 nan 0.000 0.461 817 T N -0.332 114.177 114.554 -0.075 0.000 2.888 817 T HA 0.752 5.102 4.350 -0.000 0.000 0.284 817 T C -1.108 173.433 174.700 -0.266 0.000 1.017 817 T CA -0.666 61.337 62.100 -0.161 0.000 1.022 817 T CB 0.972 69.852 68.868 0.020 0.000 1.013 817 T HN 0.221 nan 8.240 nan 0.000 0.465 818 F N 0.598 120.676 119.950 0.213 0.000 2.532 818 F HA 0.778 5.305 4.527 -0.000 0.000 0.321 818 F C 0.542 176.397 175.800 0.093 0.000 1.089 818 F CA -1.053 57.026 58.000 0.132 0.000 0.926 818 F CB 2.373 41.416 39.000 0.073 0.000 1.168 818 F HN 0.716 nan 8.300 nan 0.000 0.459 819 S N 1.349 117.206 115.700 0.262 0.000 2.546 819 S HA 0.800 5.270 4.470 -0.000 0.000 0.272 819 S C -1.788 172.882 174.600 0.116 0.000 1.140 819 S CA -0.494 57.794 58.200 0.147 0.000 0.920 819 S CB 1.350 64.612 63.200 0.103 0.000 1.083 819 S HN 0.392 nan 8.310 nan 0.000 0.476 820 V N 4.129 124.093 119.914 0.083 0.000 2.531 820 V HA 0.897 5.017 4.120 -0.000 0.000 0.301 820 V C -0.448 175.657 176.094 0.019 0.000 1.034 820 V CA -0.347 61.997 62.300 0.073 0.000 0.865 820 V CB 1.551 33.465 31.823 0.152 0.000 0.995 820 V HN 1.036 nan 8.190 nan 0.000 0.424 821 S N 2.750 118.426 115.700 -0.039 0.000 2.587 821 S HA 0.512 4.981 4.470 -0.000 0.000 0.269 821 S C -0.251 174.265 174.600 -0.140 0.000 1.154 821 S CA -0.575 57.588 58.200 -0.062 0.000 0.824 821 S CB 1.362 64.538 63.200 -0.039 0.000 1.118 821 S HN 1.027 nan 8.310 nan 0.000 0.462 822 N N 1.641 120.261 118.700 -0.134 0.000 2.708 822 N HA -0.250 4.490 4.740 -0.000 0.000 0.251 822 N C -0.391 174.914 175.510 -0.342 0.000 1.017 822 N CA 1.380 54.321 53.050 -0.182 0.000 0.742 822 N CB -2.253 36.149 38.487 -0.141 0.000 0.943 822 N HN 0.910 nan 8.380 nan 0.000 0.539 823 N N -2.083 116.339 118.700 -0.464 0.000 2.740 823 N HA -0.201 4.539 4.740 -0.000 0.000 0.248 823 N C -1.310 173.301 175.510 -1.498 0.000 1.062 823 N CA 1.179 53.577 53.050 -1.086 0.000 0.704 823 N CB -0.956 36.968 38.487 -0.938 0.000 0.968 823 N HN 0.396 nan 8.380 nan 0.000 0.547 824 T N 0.955 114.943 114.554 -0.944 0.000 3.031 824 T HA 0.354 4.704 4.350 -0.000 0.000 0.305 824 T C -0.735 173.822 174.700 -0.237 0.000 0.985 824 T CA -0.578 61.188 62.100 -0.557 0.000 1.008 824 T CB 1.762 70.457 68.868 -0.289 0.000 1.005 824 T HN 0.188 nan 8.240 nan 0.000 0.444 825 L N 4.011 125.222 121.223 -0.019 0.000 2.261 825 L HA 0.502 4.842 4.340 -0.000 0.000 0.289 825 L C -0.733 176.203 176.870 0.111 0.000 1.059 825 L CA -0.103 54.825 54.840 0.146 0.000 0.816 825 L CB 0.231 42.443 42.059 0.255 0.000 1.191 825 L HN 0.446 nan 8.230 nan 0.000 0.431 826 D N 6.245 126.717 120.400 0.121 0.000 2.232 826 D HA 0.379 5.019 4.640 -0.000 0.000 0.242 826 D C -0.351 176.097 176.300 0.248 0.000 1.093 826 D CA 0.304 54.394 54.000 0.151 0.000 0.845 826 D CB 1.660 42.524 40.800 0.107 0.000 1.124 826 D HN 0.463 nan 8.370 nan 0.000 0.467 827 I N 2.657 123.409 120.570 0.304 0.000 2.405 827 I HA 0.174 4.343 4.170 -0.000 0.000 0.280 827 I C -0.537 175.866 176.117 0.476 0.000 1.027 827 I CA -0.710 60.870 61.300 0.466 0.000 1.161 827 I CB 1.570 39.830 38.000 0.434 0.000 1.300 827 I HN -0.094 nan 8.210 nan 0.000 0.463 828 V N 5.510 125.664 119.914 0.401 0.000 2.357 828 V HA 0.197 4.316 4.120 -0.000 0.000 0.284 828 V C -0.035 176.093 176.094 0.057 0.000 1.018 828 V CA -0.695 61.735 62.300 0.216 0.000 0.841 828 V CB 1.784 33.676 31.823 0.114 0.000 0.991 828 V HN 0.820 nan 8.190 nan 0.000 0.437 829 C N 5.465 124.654 119.300 -0.185 0.000 2.442 829 C HA 0.355 4.815 4.460 -0.000 0.000 0.362 829 C C 1.893 176.728 174.990 -0.259 0.000 1.242 829 C CA 0.403 59.021 59.018 -0.667 0.000 1.741 829 C CB -0.336 27.038 27.740 -0.610 0.000 2.378 829 C HN 1.065 nan 8.230 nan 0.000 0.549 830 T N 1.349 115.800 114.554 -0.171 0.000 3.051 830 T HA 0.135 4.485 4.350 -0.000 0.000 0.255 830 T C 0.295 175.039 174.700 0.074 0.000 1.085 830 T CA 0.651 62.748 62.100 -0.004 0.000 1.109 830 T CB -0.193 68.718 68.868 0.072 0.000 0.921 830 T HN 0.852 nan 8.240 nan 0.000 0.488 831 H N -0.048 118.976 119.070 -0.077 0.000 3.029 831 H HA 0.598 5.154 4.556 -0.000 0.000 0.358 831 H C -1.793 173.460 175.328 -0.124 0.000 1.129 831 H CA -0.536 55.459 56.048 -0.088 0.000 1.230 831 H CB 2.173 31.896 29.762 -0.065 0.000 1.827 831 H HN 0.063 nan 8.280 nan 0.000 0.530 832 S N 3.568 118.890 115.700 -0.630 0.000 2.571 832 S HA 0.434 4.904 4.470 -0.000 0.000 0.238 832 S C -1.275 173.107 174.600 -0.363 0.000 1.153 832 S CA -0.418 57.579 58.200 -0.337 0.000 1.141 832 S CB 0.332 63.429 63.200 -0.170 0.000 1.133 832 S HN 0.535 nan 8.310 nan 0.000 0.464 833 S N 4.171 119.728 115.700 -0.238 0.000 2.539 833 S HA 0.315 4.785 4.470 -0.000 0.000 0.185 833 S C -1.694 172.969 174.600 0.104 0.000 1.181 833 S CA -0.297 57.838 58.200 -0.109 0.000 1.216 833 S CB 0.352 63.464 63.200 -0.148 0.000 1.476 833 S HN 0.732 nan 8.310 nan 0.000 0.395 834 Y N 1.433 121.716 120.300 -0.029 0.000 2.412 834 Y HA 0.325 4.875 4.550 -0.000 0.000 0.339 834 Y C 0.595 176.518 175.900 0.038 0.000 1.151 834 Y CA -0.789 57.322 58.100 0.018 0.000 1.355 834 Y CB -0.086 38.398 38.460 0.041 0.000 1.120 834 Y HN 0.181 nan 8.280 nan 0.000 0.529 835 Q N 1.993 121.716 119.800 -0.128 0.000 2.096 835 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 835 Q C 1.824 177.630 176.000 -0.323 0.000 0.982 835 Q CA 2.217 57.914 55.803 -0.176 0.000 0.850 835 Q CB 0.091 28.781 28.738 -0.080 0.000 0.901 835 Q HN 0.859 nan 8.270 nan 0.000 0.422 836 E N -0.593 119.306 120.200 -0.503 0.000 2.160 836 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 836 E C 1.858 178.141 176.600 -0.529 0.000 0.991 836 E CA 1.063 57.184 56.400 -0.465 0.000 0.810 836 E CB -0.180 29.325 29.700 -0.326 0.000 0.742 836 E HN 0.486 nan 8.360 nan 0.000 0.466 837 G N 0.146 108.356 108.800 -0.983 0.000 2.422 837 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 837 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 837 G C 1.662 176.498 174.900 -0.107 0.000 1.140 837 G CA 1.346 46.282 45.100 -0.273 0.000 0.775 837 G HN 0.450 nan 8.290 nan 0.000 0.545 838 T N -1.942 112.532 114.554 -0.134 0.000 3.051 838 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 838 T C 2.162 176.828 174.700 -0.057 0.000 1.127 838 T CA 1.722 63.792 62.100 -0.049 0.000 1.107 838 T CB -0.524 68.327 68.868 -0.029 0.000 0.898 838 T HN 0.099 nan 8.240 nan 0.000 0.517 839 T N 1.997 116.500 114.554 -0.085 0.000 2.897 839 T HA 0.151 4.501 4.350 -0.000 0.000 0.271 839 T C 0.683 175.333 174.700 -0.084 0.000 1.084 839 T CA 0.662 62.720 62.100 -0.069 0.000 1.123 839 T CB -0.425 68.403 68.868 -0.065 0.000 0.865 839 T HN 0.428 nan 8.240 nan 0.000 0.496 840 L N 0.349 121.498 121.223 -0.124 0.000 2.399 840 L HA 0.694 5.034 4.340 -0.000 0.000 0.265 840 L C 0.009 176.726 176.870 -0.255 0.000 1.089 840 L CA -1.051 53.667 54.840 -0.203 0.000 0.802 840 L CB 1.057 42.933 42.059 -0.305 0.000 1.180 840 L HN 0.019 nan 8.230 nan 0.000 0.454 841 A N 0.791 123.421 122.820 -0.316 0.000 2.549 841 A HA 0.695 5.014 4.320 -0.000 0.000 0.297 841 A C -1.233 176.091 177.584 -0.434 0.000 1.061 841 A CA -0.546 51.281 52.037 -0.349 0.000 0.690 841 A CB 0.902 19.786 19.000 -0.193 0.000 1.287 841 A HN 0.393 nan 8.150 nan 0.000 0.402 842 F N 1.339 121.129 119.950 -0.266 0.000 2.502 842 F HA 0.243 4.769 4.527 -0.000 0.000 0.371 842 F C 1.574 177.223 175.800 -0.252 0.000 1.083 842 F CA 0.581 58.404 58.000 -0.295 0.000 1.174 842 F CB 0.774 39.567 39.000 -0.345 0.000 1.096 842 F HN 0.705 nan 8.300 nan 0.000 0.545 843 Q N 0.693 120.470 119.800 -0.038 0.000 2.246 843 Q HA 0.132 4.472 4.340 -0.000 0.000 0.222 843 Q C 0.331 176.297 176.000 -0.057 0.000 0.851 843 Q CA 0.222 55.990 55.803 -0.058 0.000 0.945 843 Q CB 1.147 29.851 28.738 -0.056 0.000 1.122 843 Q HN 0.649 nan 8.270 nan 0.000 0.508 844 T N 0.177 114.689 114.554 -0.070 0.000 2.956 844 T HA 0.504 4.854 4.350 -0.000 0.000 0.312 844 T C -1.801 172.802 174.700 -0.161 0.000 1.151 844 T CA -0.455 61.586 62.100 -0.098 0.000 1.024 844 T CB 1.826 70.650 68.868 -0.073 0.000 1.140 844 T HN -0.164 nan 8.240 nan 0.000 0.473 845 V N 5.087 124.884 119.914 -0.194 0.000 2.569 845 V HA 0.533 4.653 4.120 -0.000 0.000 0.301 845 V C -0.476 175.455 176.094 -0.271 0.000 1.044 845 V CA -0.930 61.211 62.300 -0.266 0.000 0.874 845 V CB 2.045 33.687 31.823 -0.301 0.000 1.002 845 V HN 0.770 nan 8.190 nan 0.000 0.424 846 K N 4.440 124.667 120.400 -0.289 0.000 2.182 846 K HA 0.746 5.066 4.320 -0.000 0.000 0.262 846 K C -1.357 175.008 176.600 -0.393 0.000 0.957 846 K CA -0.695 55.410 56.287 -0.304 0.000 0.842 846 K CB 2.272 34.615 32.500 -0.261 0.000 1.099 846 K HN 0.460 nan 8.250 nan 0.000 0.438 847 I N 3.985 124.280 120.570 -0.458 0.000 2.418 847 I HA 0.293 4.462 4.170 -0.000 0.000 0.287 847 I C -0.658 175.204 176.117 -0.424 0.000 1.008 847 I CA -0.398 60.585 61.300 -0.528 0.000 1.104 847 I CB 1.282 38.746 38.000 -0.893 0.000 1.264 847 I HN 0.289 nan 8.210 nan 0.000 0.438 848 L N 5.536 126.479 121.223 -0.467 0.000 2.325 848 L HA 0.769 5.109 4.340 -0.000 0.000 0.278 848 L C 0.915 177.420 176.870 -0.608 0.000 1.023 848 L CA -0.744 53.731 54.840 -0.608 0.000 0.811 848 L CB 1.467 42.956 42.059 -0.951 0.000 1.249 848 L HN 0.886 nan 8.230 nan 0.000 0.431 849 G N 2.548 111.170 108.800 -0.298 0.000 2.164 849 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.212 849 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.212 849 G C -0.111 174.841 174.900 0.086 0.000 1.031 849 G CA -0.631 44.526 45.100 0.094 0.000 0.730 849 G HN 0.429 nan 8.290 nan 0.000 0.501 850 L N -0.010 121.239 121.223 0.044 0.000 2.514 850 L HA 0.248 4.588 4.340 -0.000 0.000 0.280 850 L C 1.739 178.677 176.870 0.114 0.000 1.223 850 L CA 0.935 55.831 54.840 0.092 0.000 0.864 850 L CB 0.787 42.913 42.059 0.111 0.000 1.118 850 L HN 0.229 nan 8.230 nan 0.000 0.494 851 T N 0.101 114.721 114.554 0.110 0.000 3.040 851 T HA 0.057 4.407 4.350 -0.000 0.000 0.250 851 T C -0.218 174.524 174.700 0.071 0.000 1.058 851 T CA 0.019 62.170 62.100 0.085 0.000 0.988 851 T CB -0.104 68.807 68.868 0.072 0.000 0.993 851 T HN 0.882 nan 8.240 nan 0.000 0.519 852 D N -0.314 120.129 120.400 0.071 0.000 2.710 852 D HA 0.143 4.783 4.640 -0.000 0.000 0.276 852 D C -0.766 175.511 176.300 -0.038 0.000 1.267 852 D CA -0.532 53.492 54.000 0.041 0.000 0.772 852 D CB 0.623 41.431 40.800 0.014 0.000 1.299 852 D HN 0.105 nan 8.370 nan 0.000 0.421 853 S N -0.710 114.925 115.700 -0.109 0.000 2.559 853 S HA 0.346 4.816 4.470 -0.000 0.000 0.282 853 S C 0.437 174.714 174.600 -0.539 0.000 1.336 853 S CA -0.699 57.205 58.200 -0.493 0.000 1.037 853 S CB 0.590 63.655 63.200 -0.224 0.000 0.853 853 S HN 0.464 nan 8.310 nan 0.000 0.523 854 V N 2.762 122.128 119.914 -0.913 0.000 2.347 854 V HA 0.283 4.402 4.120 -0.000 0.000 0.280 854 V C 0.830 176.745 176.094 -0.298 0.000 1.021 854 V CA -0.429 61.587 62.300 -0.473 0.000 0.847 854 V CB 0.921 32.485 31.823 -0.431 0.000 0.990 854 V HN 1.140 nan 8.190 nan 0.000 0.444 855 T N 3.236 117.680 114.554 -0.184 0.000 3.021 855 T HA 0.123 4.473 4.350 -0.000 0.000 0.245 855 T C 0.382 175.061 174.700 -0.034 0.000 1.028 855 T CA 0.579 62.651 62.100 -0.047 0.000 1.139 855 T CB 0.295 69.144 68.868 -0.033 0.000 0.884 855 T HN 0.652 nan 8.240 nan 0.000 0.457 856 E N 0.374 120.485 120.200 -0.150 0.000 2.340 856 E HA 0.564 4.914 4.350 -0.000 0.000 0.273 856 E C -1.822 174.638 176.600 -0.233 0.000 0.891 856 E CA -0.659 55.664 56.400 -0.128 0.000 0.757 856 E CB 1.925 31.607 29.700 -0.029 0.000 1.231 856 E HN -0.117 nan 8.360 nan 0.000 0.439 857 V N 4.310 124.107 119.914 -0.195 0.000 2.487 857 V HA 0.629 4.749 4.120 -0.000 0.000 0.298 857 V C -0.364 175.757 176.094 0.044 0.000 1.028 857 V CA -0.707 61.532 62.300 -0.103 0.000 0.860 857 V CB 1.681 33.415 31.823 -0.149 0.000 0.991 857 V HN 0.597 nan 8.190 nan 0.000 0.427 858 R N 2.968 123.489 120.500 0.034 0.000 2.621 858 R HA 0.845 5.185 4.340 -0.000 0.000 0.292 858 R C -1.593 174.739 176.300 0.054 0.000 0.969 858 R CA -0.694 55.438 56.100 0.054 0.000 0.887 858 R CB 2.613 32.926 30.300 0.021 0.000 1.180 858 R HN 0.502 nan 8.270 nan 0.000 0.450 859 V N 1.274 121.237 119.914 0.081 0.000 2.680 859 V HA 0.830 4.950 4.120 -0.000 0.000 0.309 859 V C -0.638 175.529 176.094 0.122 0.000 1.052 859 V CA -0.799 61.557 62.300 0.093 0.000 0.908 859 V CB 1.910 33.783 31.823 0.083 0.000 1.001 859 V HN 0.940 nan 8.190 nan 0.000 0.431 860 A N 2.583 125.496 122.820 0.156 0.000 2.486 860 A HA 0.740 5.060 4.320 -0.000 0.000 0.300 860 A C -0.805 176.899 177.584 0.200 0.000 1.048 860 A CA -0.589 51.535 52.037 0.145 0.000 0.696 860 A CB 1.573 20.621 19.000 0.080 0.000 1.278 860 A HN 0.810 nan 8.150 nan 0.000 0.405 861 E N 2.067 122.348 120.200 0.134 0.000 2.227 861 E HA 0.363 4.713 4.350 -0.000 0.000 0.282 861 E C 0.106 176.651 176.600 -0.092 0.000 1.015 861 E CA -0.246 56.111 56.400 -0.073 0.000 0.823 861 E CB 0.362 29.993 29.700 -0.115 0.000 1.081 861 E HN 0.724 nan 8.360 nan 0.000 0.396 862 N N 3.151 121.759 118.700 -0.153 0.000 1.347 862 N HA -0.264 4.476 4.740 -0.000 0.000 0.148 862 N C 0.001 175.493 175.510 -0.029 0.000 0.780 862 N CA 1.507 54.506 53.050 -0.084 0.000 1.015 862 N CB -0.991 37.451 38.487 -0.075 0.000 1.262 862 N HN 0.631 nan 8.380 nan 0.000 0.496 863 N N 2.124 120.812 118.700 -0.020 0.000 2.171 863 N HA 0.026 4.766 4.740 -0.000 0.000 0.212 863 N C -0.015 175.494 175.510 -0.002 0.000 1.184 863 N CA 0.081 53.127 53.050 -0.007 0.000 0.888 863 N CB 0.429 38.912 38.487 -0.008 0.000 1.038 863 N HN 0.616 nan 8.380 nan 0.000 0.517 864 Q N 1.887 121.686 119.800 -0.002 0.000 2.417 864 Q HA 0.286 4.626 4.340 -0.000 0.000 0.241 864 Q C -2.297 173.713 176.000 0.017 0.000 1.008 864 Q CA -1.288 54.519 55.803 0.006 0.000 0.901 864 Q CB -0.033 28.707 28.738 0.005 0.000 1.259 864 Q HN -0.067 nan 8.270 nan 0.000 0.489 865 P HA -0.120 nan 4.420 nan 0.000 0.263 865 P C -0.704 176.616 177.300 0.033 0.000 1.175 865 P CA 0.313 63.426 63.100 0.022 0.000 0.761 865 P CB 0.300 32.013 31.700 0.021 0.000 0.794 866 M N 3.679 123.296 119.600 0.027 0.000 2.217 866 M HA 0.073 4.553 4.480 -0.000 0.000 0.352 866 M C -0.118 176.207 176.300 0.042 0.000 1.376 866 M CA 0.839 56.160 55.300 0.034 0.000 1.107 866 M CB -0.656 31.953 32.600 0.016 0.000 1.723 866 M HN 0.227 nan 8.290 nan 0.000 0.461 867 N N 2.558 121.294 118.700 0.061 0.000 2.319 867 N HA 0.722 5.461 4.740 -0.000 0.000 0.305 867 N C -1.285 174.275 175.510 0.085 0.000 1.103 867 N CA -0.697 52.394 53.050 0.067 0.000 0.815 867 N CB 1.638 40.171 38.487 0.077 0.000 1.288 867 N HN 0.741 nan 8.380 nan 0.000 0.493 868 A N 0.714 123.581 122.820 0.078 0.000 2.450 868 A HA 0.196 4.516 4.320 -0.000 0.000 0.255 868 A C -0.681 176.987 177.584 0.139 0.000 1.096 868 A CA 0.242 52.337 52.037 0.097 0.000 0.778 868 A CB -0.373 18.670 19.000 0.072 0.000 1.031 868 A HN 0.830 nan 8.150 nan 0.000 0.494 869 H N 1.615 120.732 119.070 0.078 0.000 2.481 869 H HA 0.429 4.984 4.556 -0.000 0.000 0.333 869 H C 1.045 176.480 175.328 0.179 0.000 1.066 869 H CA 0.151 56.260 56.048 0.101 0.000 1.209 869 H CB 1.579 31.394 29.762 0.088 0.000 1.445 869 H HN 0.562 nan 8.280 nan 0.000 0.488 870 S N 2.667 118.250 115.700 -0.196 0.000 2.458 870 S HA 0.026 4.496 4.470 -0.000 0.000 0.223 870 S C 0.292 174.862 174.600 -0.050 0.000 1.019 870 S CA -0.152 58.029 58.200 -0.033 0.000 0.937 870 S CB 0.021 63.170 63.200 -0.084 0.000 0.788 870 S HN 0.551 nan 8.310 nan 0.000 0.511 871 N N 2.334 120.894 118.700 -0.232 0.000 2.521 871 N HA 0.537 5.277 4.740 -0.000 0.000 0.236 871 N C -0.980 174.711 175.510 0.301 0.000 1.067 871 N CA -0.436 52.588 53.050 -0.043 0.000 0.939 871 N CB 0.231 38.673 38.487 -0.075 0.000 1.201 871 N HN 0.619 nan 8.380 nan 0.000 0.511 872 F N -1.729 118.274 119.950 0.089 0.000 2.662 872 F HA 0.684 5.210 4.527 -0.000 0.000 0.312 872 F C -0.641 175.184 175.800 0.041 0.000 1.113 872 F CA -0.994 57.050 58.000 0.074 0.000 0.951 872 F CB 1.255 40.308 39.000 0.088 0.000 1.344 872 F HN -0.152 nan 8.300 nan 0.000 0.462 873 T N 1.800 116.471 114.554 0.196 0.000 2.840 873 T HA 0.296 4.645 4.350 -0.000 0.000 0.287 873 T C -2.067 172.788 174.700 0.260 0.000 0.991 873 T CA -0.363 61.799 62.100 0.103 0.000 0.964 873 T CB 0.681 69.554 68.868 0.008 0.000 0.954 873 T HN 0.651 nan 8.240 nan 0.000 0.438 874 Y N 3.528 123.922 120.300 0.156 0.000 2.385 874 Y HA 0.484 5.034 4.550 -0.000 0.000 0.341 874 Y C -0.501 175.421 175.900 0.038 0.000 0.965 874 Y CA -1.746 56.427 58.100 0.121 0.000 1.180 874 Y CB 0.704 39.281 38.460 0.195 0.000 1.139 874 Y HN 0.501 nan 8.280 nan 0.000 0.502 875 D N 5.036 125.199 120.400 -0.396 0.000 2.467 875 D HA 0.358 4.998 4.640 -0.000 0.000 0.220 875 D C 0.620 176.518 176.300 -0.670 0.000 1.103 875 D CA 0.176 53.915 54.000 -0.435 0.000 0.886 875 D CB 1.219 41.890 40.800 -0.215 0.000 1.025 875 D HN 0.705 nan 8.370 nan 0.000 0.514 876 A N 2.767 125.082 122.820 -0.842 0.000 1.969 876 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 876 A C 2.122 179.568 177.584 -0.229 0.000 1.169 876 A CA 1.250 52.936 52.037 -0.585 0.000 0.635 876 A CB -0.271 18.508 19.000 -0.369 0.000 0.810 876 A HN 0.552 nan 8.150 nan 0.000 0.445 877 S N 1.060 116.644 115.700 -0.192 0.000 2.359 877 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 877 S C 1.506 176.056 174.600 -0.084 0.000 1.035 877 S CA 1.560 59.695 58.200 -0.108 0.000 1.018 877 S CB -0.337 62.805 63.200 -0.096 0.000 0.876 877 S HN 0.686 nan 8.310 nan 0.000 0.448 878 N N 0.077 118.717 118.700 -0.101 0.000 2.220 878 N HA 0.099 4.839 4.740 -0.000 0.000 0.195 878 N C -0.537 174.947 175.510 -0.043 0.000 1.123 878 N CA 0.146 53.158 53.050 -0.064 0.000 0.874 878 N CB 0.269 38.714 38.487 -0.071 0.000 0.995 878 N HN 0.128 nan 8.380 nan 0.000 0.498 879 Q N 0.034 119.793 119.800 -0.067 0.000 2.470 879 Q HA -0.114 4.226 4.340 -0.000 0.000 0.294 879 Q C -1.089 174.905 176.000 -0.011 0.000 1.356 879 Q CA 0.404 56.212 55.803 0.009 0.000 0.805 879 Q CB -2.068 26.710 28.738 0.065 0.000 1.157 879 Q HN 0.088 nan 8.270 nan 0.000 0.431 880 V N 0.728 120.603 119.914 -0.064 0.000 2.628 880 V HA 0.678 4.798 4.120 -0.000 0.000 0.306 880 V C -0.076 175.995 176.094 -0.039 0.000 1.045 880 V CA -0.991 61.248 62.300 -0.102 0.000 0.905 880 V CB 2.199 33.938 31.823 -0.140 0.000 0.997 880 V HN 0.325 nan 8.190 nan 0.000 0.436 881 L N 5.021 126.174 121.223 -0.117 0.000 2.333 881 L HA 0.700 5.040 4.340 -0.000 0.000 0.280 881 L C -0.975 175.808 176.870 -0.145 0.000 1.004 881 L CA -0.379 54.409 54.840 -0.087 0.000 0.820 881 L CB 1.476 43.381 42.059 -0.257 0.000 1.247 881 L HN 0.644 nan 8.230 nan 0.000 0.416 882 L N 6.571 127.767 121.223 -0.045 0.000 2.287 882 L HA 0.623 4.963 4.340 -0.000 0.000 0.287 882 L C -1.030 175.849 176.870 0.015 0.000 1.022 882 L CA 0.038 54.842 54.840 -0.061 0.000 0.814 882 L CB 1.000 43.031 42.059 -0.048 0.000 1.217 882 L HN 0.568 nan 8.230 nan 0.000 0.420 883 I N 5.785 126.324 120.570 -0.052 0.000 2.330 883 I HA 0.682 4.852 4.170 -0.000 0.000 0.289 883 I C 0.157 176.271 176.117 -0.004 0.000 1.001 883 I CA -0.274 61.026 61.300 0.000 0.000 1.193 883 I CB 1.370 39.282 38.000 -0.147 0.000 1.345 883 I HN 0.815 nan 8.210 nan 0.000 0.461 884 A N 3.922 126.814 122.820 0.119 0.000 2.387 884 A HA 0.635 4.955 4.320 -0.000 0.000 0.303 884 A C -0.057 177.629 177.584 0.169 0.000 1.145 884 A CA -0.443 51.644 52.037 0.083 0.000 0.801 884 A CB 0.845 19.874 19.000 0.047 0.000 1.342 884 A HN 0.812 nan 8.150 nan 0.000 0.440 885 D N -0.959 119.492 120.400 0.086 0.000 2.945 885 D HA -0.142 4.498 4.640 -0.000 0.000 0.225 885 D C -0.105 176.282 176.300 0.144 0.000 1.158 885 D CA 1.095 55.150 54.000 0.091 0.000 0.805 885 D CB -1.802 39.040 40.800 0.070 0.000 1.098 885 D HN 0.478 nan 8.370 nan 0.000 0.426 886 L N -0.692 120.575 121.223 0.073 0.000 2.472 886 L HA 0.248 4.588 4.340 -0.000 0.000 0.260 886 L C 1.146 177.988 176.870 -0.046 0.000 1.209 886 L CA 0.155 54.991 54.840 -0.008 0.000 0.817 886 L CB 0.388 42.352 42.059 -0.158 0.000 1.106 886 L HN -0.219 nan 8.230 nan 0.000 0.479 887 K N 2.374 122.720 120.400 -0.089 0.000 2.920 887 K HA 0.373 4.693 4.320 -0.000 0.000 0.175 887 K C -1.277 175.175 176.600 -0.247 0.000 1.099 887 K CA 0.015 56.236 56.287 -0.110 0.000 0.939 887 K CB 0.010 32.491 32.500 -0.032 0.000 1.148 887 K HN 0.403 nan 8.250 nan 0.000 0.613 888 L N 2.490 123.470 121.223 -0.404 0.000 2.397 888 L HA 0.403 4.743 4.340 -0.000 0.000 0.263 888 L C -0.240 176.413 176.870 -0.362 0.000 1.136 888 L CA -0.871 53.427 54.840 -0.904 0.000 1.019 888 L CB 0.002 41.519 42.059 -0.903 0.000 1.352 888 L HN 0.321 nan 8.230 nan 0.000 0.420 889 N N 1.591 120.258 118.700 -0.054 0.000 2.407 889 N HA 0.142 4.882 4.740 -0.000 0.000 0.250 889 N C -0.268 175.377 175.510 0.224 0.000 1.236 889 N CA -0.305 52.792 53.050 0.078 0.000 0.879 889 N CB 0.597 39.167 38.487 0.139 0.000 1.088 889 N HN 0.273 nan 8.380 nan 0.000 0.450 890 L N 1.609 122.869 121.223 0.061 0.000 2.483 890 L HA 0.189 4.529 4.340 -0.000 0.000 0.276 890 L C 1.628 178.679 176.870 0.301 0.000 1.213 890 L CA 1.185 56.157 54.840 0.220 0.000 0.843 890 L CB 0.081 42.187 42.059 0.077 0.000 1.107 890 L HN 0.852 nan 8.230 nan 0.000 0.487 891 G N 1.971 111.021 108.800 0.417 0.000 2.195 891 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.246 891 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.246 891 G C 0.569 175.561 174.900 0.153 0.000 0.984 891 G CA -0.092 45.118 45.100 0.183 0.000 0.633 891 G HN 0.512 nan 8.290 nan 0.000 0.525 892 R N -0.131 120.552 120.500 0.305 0.000 2.873 892 R HA 0.557 4.897 4.340 -0.000 0.000 0.264 892 R C -0.965 175.376 176.300 0.067 0.000 1.026 892 R CA -1.006 55.144 56.100 0.083 0.000 1.002 892 R CB 0.773 31.055 30.300 -0.029 0.000 1.174 892 R HN 0.109 nan 8.270 nan 0.000 0.488 893 N N 0.999 119.543 118.700 -0.260 0.000 2.430 893 N HA 0.437 5.177 4.740 -0.000 0.000 0.292 893 N C -1.187 174.045 175.510 -0.462 0.000 1.051 893 N CA 0.038 53.010 53.050 -0.130 0.000 0.917 893 N CB 0.914 39.362 38.487 -0.066 0.000 1.164 893 N HN 0.288 nan 8.380 nan 0.000 0.484 894 F N -0.662 119.408 119.950 0.199 0.000 2.626 894 F HA 0.471 4.998 4.527 -0.000 0.000 0.311 894 F C 0.329 176.195 175.800 0.110 0.000 1.088 894 F CA -0.831 57.253 58.000 0.140 0.000 0.949 894 F CB 1.990 41.076 39.000 0.144 0.000 1.322 894 F HN 0.168 nan 8.300 nan 0.000 0.461 895 S N 1.169 117.037 115.700 0.280 0.000 2.557 895 S HA 0.845 5.315 4.470 -0.000 0.000 0.291 895 S C -1.767 172.911 174.600 0.130 0.000 1.116 895 S CA -0.476 57.820 58.200 0.159 0.000 0.992 895 S CB 1.273 64.527 63.200 0.090 0.000 1.028 895 S HN 0.403 nan 8.310 nan 0.000 0.484 896 V N 5.189 125.162 119.914 0.098 0.000 2.531 896 V HA 0.542 4.662 4.120 -0.000 0.000 0.301 896 V C -0.495 175.648 176.094 0.082 0.000 1.034 896 V CA -0.664 61.692 62.300 0.094 0.000 0.865 896 V CB 1.640 33.519 31.823 0.093 0.000 0.995 896 V HN 0.876 nan 8.190 nan 0.000 0.424 897 Q N 3.055 122.871 119.800 0.027 0.000 2.377 897 Q HA 0.685 5.025 4.340 -0.000 0.000 0.271 897 Q C -1.260 174.746 176.000 0.009 0.000 1.077 897 Q CA -0.644 55.069 55.803 -0.149 0.000 0.820 897 Q CB 3.051 31.678 28.738 -0.185 0.000 1.347 897 Q HN 0.830 nan 8.270 nan 0.000 0.444 898 W N 0.000 121.213 121.300 -0.145 0.000 2.388 898 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 898 W CA 0.000 57.223 57.345 -0.203 0.000 1.226 898 W CB 0.000 29.321 29.460 -0.232 0.000 1.126 898 W HN 0.000 nan 8.180 nan 0.000 0.535