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 2vw1_1_A DATA FIRST_RESID 39 DATA SEQUENCE ISPIFQGGSY QLNNKSIDIS SLLLDKLSGE SQTVVMKFKA DKPNSLQALF DATA SEQUENCE GLSNSKAGFK NNYFSIFMRD SGEIGVEIRD AQKGINYLFS RPASLWGKHK DATA SEQUENCE GQAVENTLVF VSDSKDKTYT MYVNGIEVFS ETVDTFLPIS NINGIDKATL DATA SEQUENCE GAVNREGKEH YLAKGSIDEI SLFNKAISDQ EVSTIPLSNP FQLIFQSGDS DATA SEQUENCE TQANYFRIPT LYTLSSGRVL SSIDARYGGT HDSKSKINIA TSYSDDNGKT DATA SEQUENCE WSEPIFAMKF NDYEEQLVYW PRDNKLKNSQ ISGSASFIDS SIVEDKKSGK DATA SEQUENCE TILLADVMPA GIGNNNANKA DSGFKEINGH YYLKLKKNGD NDFRYTVREN DATA SEQUENCE GVVYNETTNK PTNYTINDKY EVLEGGKSLT VEQYSVDFDS GSLRERHNGK DATA SEQUENCE QVPMNVFYKD SLFKVTPTNY IAMTTSQNRG ESWEQFKLLP PFLGEKHNGT DATA SEQUENCE YLCPGQGLAL KSSNRLIFAT YTSGELTYLI SDDSGQTWKK SSASIPFKNA DATA SEQUENCE TAEAQMVELR DGVIRTFFRT TTGKIAYMTS RDSGETWSKV SYIDGIQQTS DATA SEQUENCE YGTQVSAIKY SQLIDGKEAV ILSTPNSRSG RKGGQLVVGL VNKEDDSIDW DATA SEQUENCE KYHYDIDLPS YGYAYSAITE LPNHHIGVLF EKYDSWSRNE LHLSNVVQYI DATA SEQUENCE DLEINDLT 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 39 I HA 0.000 nan 4.170 nan 0.000 0.288 39 I C 0.000 176.217 176.117 0.166 0.000 1.063 39 I CA 0.000 61.361 61.300 0.101 0.000 1.566 39 I CB 0.000 38.073 38.000 0.122 0.000 1.214 40 S N 4.220 120.003 115.700 0.138 0.000 2.617 40 S HA 0.728 5.198 4.470 -0.000 0.000 0.269 40 S C -2.289 172.376 174.600 0.108 0.000 1.292 40 S CA -0.952 57.324 58.200 0.126 0.000 1.010 40 S CB 0.531 63.761 63.200 0.050 0.000 0.944 40 S HN 0.619 nan 8.310 nan 0.000 0.536 41 P HA 0.111 nan 4.420 nan 0.000 0.267 41 P C 0.869 178.017 177.300 -0.253 0.000 1.200 41 P CA -0.070 62.693 63.100 -0.563 0.000 0.772 41 P CB 0.192 31.542 31.700 -0.584 0.000 0.855 42 I N -0.265 120.167 120.570 -0.229 0.000 2.617 42 I HA 0.171 4.341 4.170 -0.000 0.000 0.256 42 I C 0.152 176.308 176.117 0.064 0.000 1.167 42 I CA 1.168 62.444 61.300 -0.039 0.000 1.469 42 I CB -0.075 37.929 38.000 0.007 0.000 1.098 42 I HN 0.103 nan 8.210 nan 0.000 0.436 43 F N 1.559 121.412 119.950 -0.162 0.000 2.628 43 F HA 0.551 5.077 4.527 -0.000 0.000 0.309 43 F C -1.269 174.462 175.800 -0.115 0.000 1.108 43 F CA -0.733 57.213 58.000 -0.091 0.000 0.971 43 F CB 1.548 40.526 39.000 -0.037 0.000 1.279 43 F HN 0.012 nan 8.300 nan 0.000 0.441 44 Q N 3.824 122.988 119.800 -1.059 0.000 2.269 44 Q HA 0.604 4.944 4.340 -0.000 0.000 0.263 44 Q C -1.064 174.334 176.000 -1.003 0.000 0.983 44 Q CA -0.699 54.573 55.803 -0.885 0.000 0.777 44 Q CB 1.969 30.474 28.738 -0.387 0.000 1.273 44 Q HN 1.073 nan 8.270 nan 0.000 0.440 45 G N 0.929 109.269 108.800 -0.766 0.000 2.552 45 G HA2 0.884 4.843 3.960 -0.000 0.000 0.324 45 G HA3 0.884 4.843 3.960 -0.000 0.000 0.324 45 G C -0.702 174.205 174.900 0.012 0.000 1.217 45 G CA -0.352 44.710 45.100 -0.063 0.000 0.989 45 G HN 0.667 nan 8.290 nan 0.000 0.490 46 G N -1.791 106.888 108.800 -0.202 0.000 2.667 46 G HA2 0.559 4.519 3.960 -0.000 0.000 0.294 46 G HA3 0.559 4.519 3.960 -0.000 0.000 0.294 46 G C -0.117 174.471 174.900 -0.520 0.000 1.467 46 G CA 0.610 45.559 45.100 -0.250 0.000 0.852 46 G HN 1.966 nan 8.290 nan 0.000 0.521 47 S N -1.253 114.294 115.700 -0.254 0.000 3.386 47 S HA -0.241 4.228 4.470 -0.000 0.000 0.403 47 S C -0.392 174.047 174.600 -0.269 0.000 0.893 47 S CA 0.849 58.936 58.200 -0.188 0.000 1.336 47 S CB -2.262 60.860 63.200 -0.130 0.000 0.925 47 S HN 0.981 nan 8.310 nan 0.000 0.589 48 Y N 0.551 120.909 120.300 0.096 0.000 2.342 48 Y HA 0.479 5.029 4.550 -0.000 0.000 0.338 48 Y C 0.726 176.687 175.900 0.101 0.000 0.965 48 Y CA -0.993 57.170 58.100 0.105 0.000 1.159 48 Y CB 0.991 39.529 38.460 0.131 0.000 1.157 48 Y HN 0.369 nan 8.280 nan 0.000 0.486 49 Q N 4.559 124.491 119.800 0.220 0.000 2.322 49 Q HA 0.335 4.675 4.340 -0.000 0.000 0.256 49 Q C -0.815 175.278 176.000 0.155 0.000 0.960 49 Q CA -0.207 55.691 55.803 0.159 0.000 0.934 49 Q CB 1.419 30.221 28.738 0.107 0.000 1.200 49 Q HN 0.728 nan 8.270 nan 0.000 0.435 50 L N 3.539 124.850 121.223 0.147 0.000 2.287 50 L HA 0.351 4.690 4.340 -0.000 0.000 0.280 50 L C 0.308 177.235 176.870 0.096 0.000 1.055 50 L CA -0.274 54.639 54.840 0.121 0.000 0.863 50 L CB 0.361 42.497 42.059 0.129 0.000 1.245 50 L HN 0.325 nan 8.230 nan 0.000 0.432 51 N N 4.533 123.280 118.700 0.078 0.000 2.806 51 N HA 0.111 4.851 4.740 -0.000 0.000 0.315 51 N C -0.410 175.127 175.510 0.045 0.000 1.738 51 N CA -0.215 52.871 53.050 0.060 0.000 0.993 51 N CB 0.594 39.114 38.487 0.055 0.000 1.324 51 N HN 0.493 nan 8.380 nan 0.000 0.493 52 N N 1.432 120.158 118.700 0.044 0.000 2.714 52 N HA -0.214 4.526 4.740 -0.000 0.000 0.253 52 N C -0.555 174.965 175.510 0.017 0.000 1.024 52 N CA 1.169 54.235 53.050 0.026 0.000 0.726 52 N CB -0.568 37.928 38.487 0.016 0.000 0.908 52 N HN 0.581 nan 8.380 nan 0.000 0.542 53 K N 0.089 120.505 120.400 0.026 0.000 2.582 53 K HA 0.104 4.424 4.320 -0.000 0.000 0.259 53 K C -0.503 176.114 176.600 0.029 0.000 0.973 53 K CA -0.404 55.895 56.287 0.021 0.000 0.880 53 K CB 0.887 33.402 32.500 0.026 0.000 1.310 53 K HN 0.134 nan 8.250 nan 0.000 0.443 54 S N 3.860 119.569 115.700 0.015 0.000 2.576 54 S HA 0.402 4.872 4.470 -0.000 0.000 0.276 54 S C 0.314 174.927 174.600 0.021 0.000 1.339 54 S CA -0.536 57.671 58.200 0.012 0.000 1.039 54 S CB 0.498 63.694 63.200 -0.007 0.000 0.902 54 S HN 0.468 nan 8.310 nan 0.000 0.516 55 I N 1.838 122.417 120.570 0.016 0.000 2.339 55 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 55 I C -0.225 175.880 176.117 -0.019 0.000 0.994 55 I CA -0.566 60.745 61.300 0.019 0.000 1.191 55 I CB 1.500 39.523 38.000 0.039 0.000 1.343 55 I HN 0.708 nan 8.210 nan 0.000 0.458 56 D N 6.999 127.395 120.400 -0.006 0.000 2.277 56 D HA 0.387 5.027 4.640 -0.000 0.000 0.249 56 D C 0.281 176.562 176.300 -0.032 0.000 1.134 56 D CA -0.256 53.728 54.000 -0.026 0.000 0.863 56 D CB 0.871 41.662 40.800 -0.014 0.000 1.143 56 D HN 0.508 nan 8.370 nan 0.000 0.458 57 I N 0.423 120.948 120.570 -0.076 0.000 3.426 57 I HA 0.270 4.440 4.170 -0.000 0.000 0.329 57 I C 0.831 176.846 176.117 -0.170 0.000 1.553 57 I CA -0.592 60.629 61.300 -0.131 0.000 1.019 57 I CB 0.565 38.433 38.000 -0.220 0.000 1.376 57 I HN 0.096 nan 8.210 nan 0.000 0.525 58 S N 2.077 117.718 115.700 -0.099 0.000 2.365 58 S HA -0.205 4.265 4.470 -0.000 0.000 0.221 58 S C 1.914 176.465 174.600 -0.082 0.000 1.037 58 S CA 2.464 60.615 58.200 -0.082 0.000 1.060 58 S CB -0.347 62.822 63.200 -0.051 0.000 0.974 58 S HN 0.809 nan 8.310 nan 0.000 0.427 59 S N 0.731 116.397 115.700 -0.056 0.000 2.701 59 S HA 0.275 4.745 4.470 -0.000 0.000 0.220 59 S C 1.213 175.793 174.600 -0.033 0.000 0.954 59 S CA 0.058 58.238 58.200 -0.033 0.000 0.936 59 S CB -0.354 62.840 63.200 -0.009 0.000 0.777 59 S HN 0.355 nan 8.310 nan 0.000 0.518 60 L N -0.754 120.411 121.223 -0.095 0.000 2.470 60 L HA 0.355 4.694 4.340 -0.000 0.000 0.219 60 L C 1.891 178.654 176.870 -0.178 0.000 1.071 60 L CA 0.233 55.016 54.840 -0.096 0.000 0.850 60 L CB 0.027 42.002 42.059 -0.140 0.000 1.040 60 L HN 0.328 nan 8.230 nan 0.000 0.475 61 L N -1.033 120.034 121.223 -0.260 0.000 2.600 61 L HA 0.180 4.520 4.340 -0.000 0.000 0.213 61 L C 1.932 178.766 176.870 -0.060 0.000 1.045 61 L CA 1.149 55.862 54.840 -0.210 0.000 0.863 61 L CB -0.051 41.806 42.059 -0.336 0.000 1.189 61 L HN -0.018 nan 8.230 nan 0.000 0.484 62 L N 0.018 121.209 121.223 -0.052 0.000 2.131 62 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 62 L C 1.697 178.567 176.870 -0.001 0.000 1.092 62 L CA 1.658 56.489 54.840 -0.015 0.000 0.759 62 L CB -0.688 41.358 42.059 -0.022 0.000 0.903 62 L HN 0.314 nan 8.230 nan 0.000 0.435 63 D N -0.281 120.118 120.400 -0.002 0.000 2.149 63 D HA -0.137 4.503 4.640 -0.000 0.000 0.201 63 D C 2.019 178.330 176.300 0.019 0.000 0.972 63 D CA 0.721 54.726 54.000 0.008 0.000 0.835 63 D CB 0.030 40.835 40.800 0.009 0.000 0.966 63 D HN 0.184 nan 8.370 nan 0.000 0.476 64 K N 0.361 120.776 120.400 0.024 0.000 2.305 64 K HA 0.076 4.396 4.320 -0.000 0.000 0.199 64 K C 0.686 177.310 176.600 0.041 0.000 1.047 64 K CA 0.057 56.366 56.287 0.036 0.000 0.976 64 K CB 0.040 32.570 32.500 0.051 0.000 0.765 64 K HN 0.259 nan 8.250 nan 0.000 0.474 65 L N 3.086 124.333 121.223 0.040 0.000 2.513 65 L HA -0.050 4.290 4.340 -0.000 0.000 0.272 65 L C 0.330 177.226 176.870 0.044 0.000 1.187 65 L CA 0.213 55.083 54.840 0.050 0.000 0.895 65 L CB 0.175 42.265 42.059 0.052 0.000 1.147 65 L HN 0.189 nan 8.230 nan 0.000 0.483 66 S N 1.765 117.495 115.700 0.050 0.000 2.552 66 S HA 0.816 5.286 4.470 -0.000 0.000 0.272 66 S C -0.362 174.270 174.600 0.053 0.000 1.150 66 S CA -0.332 57.896 58.200 0.046 0.000 0.849 66 S CB 1.688 64.911 63.200 0.038 0.000 1.113 66 S HN 1.253 nan 8.310 nan 0.000 0.458 67 G N 1.282 110.112 108.800 0.050 0.000 2.829 67 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.628 67 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.628 67 G C -0.144 174.801 174.900 0.075 0.000 1.412 67 G CA 0.115 45.247 45.100 0.054 0.000 0.864 67 G HN 0.906 nan 8.290 nan 0.000 0.544 68 E N -0.420 119.829 120.200 0.082 0.000 2.474 68 E HA 0.255 4.605 4.350 -0.000 0.000 0.195 68 E C 0.521 177.228 176.600 0.178 0.000 1.039 68 E CA 0.551 57.036 56.400 0.142 0.000 0.881 68 E CB 0.372 30.160 29.700 0.146 0.000 0.970 68 E HN 0.360 nan 8.360 nan 0.000 0.486 69 S N 0.857 116.615 115.700 0.098 0.000 2.473 69 S HA 0.490 4.960 4.470 -0.000 0.000 0.307 69 S C -0.560 174.090 174.600 0.084 0.000 1.094 69 S CA -0.732 57.513 58.200 0.075 0.000 1.070 69 S CB 1.756 64.952 63.200 -0.007 0.000 1.019 69 S HN -0.016 nan 8.310 nan 0.000 0.480 70 Q N 0.771 120.623 119.800 0.086 0.000 2.416 70 Q HA 0.662 5.001 4.340 -0.000 0.000 0.281 70 Q C -1.310 174.734 176.000 0.073 0.000 1.067 70 Q CA -0.523 55.338 55.803 0.097 0.000 0.809 70 Q CB 2.386 31.180 28.738 0.095 0.000 1.418 70 Q HN 0.603 nan 8.270 nan 0.000 0.411 71 T N 0.362 115.010 114.554 0.158 0.000 2.879 71 T HA 0.561 4.911 4.350 -0.000 0.000 0.290 71 T C -1.060 173.811 174.700 0.285 0.000 0.993 71 T CA -0.549 61.645 62.100 0.157 0.000 0.975 71 T CB 1.122 70.040 68.868 0.082 0.000 0.981 71 T HN 0.286 nan 8.240 nan 0.000 0.439 72 V N 3.886 123.958 119.914 0.262 0.000 2.370 72 V HA 0.473 4.593 4.120 -0.000 0.000 0.279 72 V C -0.142 176.103 176.094 0.252 0.000 1.029 72 V CA -0.605 61.835 62.300 0.233 0.000 0.870 72 V CB 1.489 33.455 31.823 0.238 0.000 0.984 72 V HN 0.709 nan 8.190 nan 0.000 0.451 73 V N 6.581 126.645 119.914 0.251 0.000 2.448 73 V HA 0.567 4.687 4.120 -0.000 0.000 0.295 73 V C -0.205 175.998 176.094 0.180 0.000 1.025 73 V CA -0.404 62.032 62.300 0.227 0.000 0.859 73 V CB 1.593 33.577 31.823 0.268 0.000 0.988 73 V HN 0.906 nan 8.190 nan 0.000 0.431 74 M N 5.344 125.064 119.600 0.200 0.000 2.165 74 M HA 0.493 4.973 4.480 -0.000 0.000 0.283 74 M C -1.133 175.342 176.300 0.292 0.000 0.978 74 M CA -0.527 54.908 55.300 0.225 0.000 0.948 74 M CB 1.619 34.345 32.600 0.210 0.000 1.599 74 M HN 0.477 nan 8.290 nan 0.000 0.450 75 K N 6.201 126.747 120.400 0.243 0.000 2.266 75 K HA 0.391 4.711 4.320 -0.000 0.000 0.274 75 K C -1.207 175.560 176.600 0.278 0.000 1.090 75 K CA -0.186 56.225 56.287 0.207 0.000 0.925 75 K CB 0.441 33.013 32.500 0.120 0.000 1.225 75 K HN 0.549 nan 8.250 nan 0.000 0.458 76 F N -0.014 120.017 119.950 0.135 0.000 2.579 76 F HA 0.620 5.147 4.527 -0.000 0.000 0.324 76 F C -0.667 175.220 175.800 0.145 0.000 1.058 76 F CA -1.224 56.863 58.000 0.145 0.000 0.944 76 F CB 1.360 40.451 39.000 0.152 0.000 1.245 76 F HN 0.007 nan 8.300 nan 0.000 0.477 77 K N 1.647 122.156 120.400 0.180 0.000 2.259 77 K HA 0.843 5.163 4.320 -0.000 0.000 0.249 77 K C -1.511 175.249 176.600 0.266 0.000 0.942 77 K CA -1.345 54.993 56.287 0.086 0.000 0.816 77 K CB 2.185 34.739 32.500 0.090 0.000 1.155 77 K HN 0.918 nan 8.250 nan 0.000 0.428 78 A N 2.445 125.393 122.820 0.213 0.000 2.686 78 A HA 0.157 4.477 4.320 -0.000 0.000 0.299 78 A C -0.639 177.033 177.584 0.148 0.000 1.151 78 A CA -0.700 51.484 52.037 0.244 0.000 0.851 78 A CB 0.162 19.395 19.000 0.387 0.000 1.448 78 A HN 0.854 nan 8.150 nan 0.000 0.404 79 D N 1.102 121.551 120.400 0.082 0.000 2.392 79 D HA 0.048 4.688 4.640 -0.000 0.000 0.206 79 D C 0.194 176.484 176.300 -0.017 0.000 1.046 79 D CA 0.678 54.681 54.000 0.005 0.000 0.865 79 D CB 0.373 41.180 40.800 0.011 0.000 0.969 79 D HN 0.256 nan 8.370 nan 0.000 0.509 80 K N 1.889 122.306 120.400 0.029 0.000 2.800 80 K HA 0.292 4.612 4.320 -0.000 0.000 0.185 80 K C -2.605 174.032 176.600 0.062 0.000 1.082 80 K CA -1.406 54.897 56.287 0.027 0.000 0.978 80 K CB 1.838 34.354 32.500 0.026 0.000 1.364 80 K HN 0.240 nan 8.250 nan 0.000 0.592 81 P HA 0.089 nan 4.420 nan 0.000 0.275 81 P C -0.321 177.044 177.300 0.108 0.000 1.228 81 P CA -0.201 62.976 63.100 0.129 0.000 0.786 81 P CB 0.793 32.610 31.700 0.195 0.000 0.927 82 N N -0.175 118.588 118.700 0.105 0.000 2.371 82 N HA -0.016 4.723 4.740 -0.000 0.000 0.243 82 N C 1.648 177.223 175.510 0.108 0.000 1.287 82 N CA -0.193 52.911 53.050 0.090 0.000 0.911 82 N CB 0.198 38.732 38.487 0.077 0.000 1.142 82 N HN 0.447 nan 8.380 nan 0.000 0.451 83 S N 0.517 116.272 115.700 0.091 0.000 2.365 83 S HA -0.150 4.320 4.470 -0.000 0.000 0.225 83 S C 0.392 175.063 174.600 0.118 0.000 1.039 83 S CA 1.217 59.475 58.200 0.097 0.000 1.033 83 S CB -0.119 63.124 63.200 0.071 0.000 0.887 83 S HN 0.408 nan 8.310 nan 0.000 0.447 84 L N 1.665 122.960 121.223 0.121 0.000 2.408 84 L HA 0.585 4.924 4.340 -0.000 0.000 0.268 84 L C -1.283 175.687 176.870 0.167 0.000 0.986 84 L CA -0.356 54.573 54.840 0.149 0.000 0.820 84 L CB 1.912 44.050 42.059 0.133 0.000 1.303 84 L HN 0.541 nan 8.230 nan 0.000 0.411 85 Q N 4.357 124.261 119.800 0.173 0.000 2.352 85 Q HA 0.815 5.154 4.340 -0.000 0.000 0.270 85 Q C -1.845 174.229 176.000 0.124 0.000 1.006 85 Q CA -0.855 55.042 55.803 0.156 0.000 0.880 85 Q CB 1.554 30.368 28.738 0.126 0.000 1.392 85 Q HN 0.846 nan 8.270 nan 0.000 0.401 86 A N 3.383 126.264 122.820 0.101 0.000 2.331 86 A HA 0.511 4.831 4.320 -0.000 0.000 0.283 86 A C 0.285 177.876 177.584 0.011 0.000 1.142 86 A CA -0.669 51.384 52.037 0.026 0.000 0.812 86 A CB 0.337 19.319 19.000 -0.030 0.000 1.074 86 A HN 0.880 nan 8.150 nan 0.000 0.497 87 L N 1.273 122.480 121.223 -0.028 0.000 2.121 87 L HA 0.244 4.584 4.340 -0.000 0.000 0.200 87 L C 0.540 177.466 176.870 0.093 0.000 1.077 87 L CA 0.820 55.646 54.840 -0.024 0.000 0.766 87 L CB -0.191 41.752 42.059 -0.194 0.000 0.931 87 L HN 0.730 nan 8.230 nan 0.000 0.452 88 F N -0.130 119.780 119.950 -0.067 0.000 2.577 88 F HA 0.704 5.231 4.527 -0.000 0.000 0.318 88 F C -0.245 175.543 175.800 -0.019 0.000 1.065 88 F CA -0.810 57.186 58.000 -0.007 0.000 0.929 88 F CB 2.042 41.087 39.000 0.074 0.000 1.237 88 F HN -0.159 nan 8.300 nan 0.000 0.468 89 G N 5.073 113.332 108.800 -0.902 0.000 2.760 89 G HA2 0.536 4.496 3.960 -0.000 0.000 0.296 89 G HA3 0.536 4.496 3.960 -0.000 0.000 0.296 89 G C -2.451 172.073 174.900 -0.627 0.000 1.427 89 G CA -0.746 43.983 45.100 -0.618 0.000 1.109 89 G HN 0.758 nan 8.290 nan 0.000 0.553 90 L N 2.493 123.541 121.223 -0.291 0.000 2.319 90 L HA 0.686 5.026 4.340 -0.000 0.000 0.281 90 L C 0.303 177.188 176.870 0.025 0.000 1.005 90 L CA -0.779 54.000 54.840 -0.101 0.000 0.828 90 L CB 1.863 43.953 42.059 0.052 0.000 1.227 90 L HN 0.689 nan 8.230 nan 0.000 0.415 91 S N 1.337 117.034 115.700 -0.005 0.000 2.599 91 S HA 0.449 4.919 4.470 -0.000 0.000 0.287 91 S C -0.781 173.833 174.600 0.024 0.000 1.105 91 S CA -0.967 57.264 58.200 0.050 0.000 0.899 91 S CB 2.209 65.409 63.200 0.000 0.000 1.100 91 S HN 0.524 nan 8.310 nan 0.000 0.482 92 N N 1.278 120.005 118.700 0.046 0.000 2.406 92 N HA 0.171 4.911 4.740 -0.000 0.000 0.251 92 N C 0.758 176.289 175.510 0.035 0.000 1.069 92 N CA -0.041 53.006 53.050 -0.006 0.000 0.947 92 N CB 1.182 39.642 38.487 -0.044 0.000 1.111 92 N HN 0.756 nan 8.380 nan 0.000 0.497 93 S N 2.064 117.767 115.700 0.005 0.000 2.605 93 S HA 0.174 4.644 4.470 -0.000 0.000 0.217 93 S C 0.409 175.037 174.600 0.047 0.000 0.958 93 S CA -0.087 58.125 58.200 0.020 0.000 0.919 93 S CB 0.112 63.310 63.200 -0.003 0.000 0.780 93 S HN 0.411 nan 8.310 nan 0.000 0.507 94 K N 1.758 122.202 120.400 0.073 0.000 2.144 94 K HA 0.619 4.939 4.320 -0.000 0.000 0.270 94 K C 0.122 176.856 176.600 0.223 0.000 1.005 94 K CA -0.296 56.063 56.287 0.120 0.000 0.932 94 K CB 0.974 33.518 32.500 0.073 0.000 1.021 94 K HN 0.279 nan 8.250 nan 0.000 0.462 95 A N 1.348 124.260 122.820 0.154 0.000 2.591 95 A HA 0.232 4.552 4.320 -0.000 0.000 0.244 95 A C 1.240 178.889 177.584 0.108 0.000 1.031 95 A CA 1.203 53.304 52.037 0.108 0.000 0.767 95 A CB -1.083 17.956 19.000 0.064 0.000 0.942 95 A HN 0.973 nan 8.150 nan 0.000 0.514 96 G N 1.023 109.801 108.800 -0.036 0.000 2.175 96 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 96 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 96 G C 0.053 174.620 174.900 -0.554 0.000 0.982 96 G CA 0.478 45.396 45.100 -0.304 0.000 0.641 96 G HN 1.012 nan 8.290 nan 0.000 0.527 97 F N 1.104 121.045 119.950 -0.014 0.000 2.761 97 F HA 0.313 4.840 4.527 -0.000 0.000 0.367 97 F C 1.636 177.435 175.800 -0.001 0.000 1.386 97 F CA -0.083 57.909 58.000 -0.012 0.000 1.177 97 F CB 0.569 39.564 39.000 -0.008 0.000 1.092 97 F HN 0.228 nan 8.300 nan 0.000 0.517 98 K N -1.206 119.242 120.400 0.081 0.000 2.211 98 K HA -0.029 4.291 4.320 -0.000 0.000 0.203 98 K C 0.334 177.015 176.600 0.136 0.000 1.050 98 K CA 1.283 57.603 56.287 0.055 0.000 0.945 98 K CB -0.010 32.471 32.500 -0.031 0.000 0.732 98 K HN 0.096 nan 8.250 nan 0.000 0.451 99 N N 1.241 119.988 118.700 0.079 0.000 2.380 99 N HA 0.071 4.811 4.740 -0.000 0.000 0.255 99 N C -1.002 174.462 175.510 -0.077 0.000 1.158 99 N CA -0.063 52.982 53.050 -0.008 0.000 0.878 99 N CB 0.551 38.990 38.487 -0.081 0.000 1.138 99 N HN 0.159 nan 8.380 nan 0.000 0.509 100 N N 1.372 120.117 118.700 0.075 0.000 2.800 100 N HA 0.179 4.918 4.740 -0.000 0.000 0.240 100 N C -1.284 174.294 175.510 0.114 0.000 1.096 100 N CA -0.389 52.691 53.050 0.050 0.000 0.877 100 N CB 0.208 38.780 38.487 0.142 0.000 1.138 100 N HN 0.246 nan 8.380 nan 0.000 0.509 101 Y N -0.671 119.618 120.300 -0.017 0.000 2.662 101 Y HA 0.585 5.135 4.550 -0.000 0.000 0.334 101 Y C -2.126 173.789 175.900 0.026 0.000 1.185 101 Y CA -1.838 56.256 58.100 -0.011 0.000 1.074 101 Y CB 0.604 39.032 38.460 -0.053 0.000 1.330 101 Y HN 0.065 nan 8.280 nan 0.000 0.458 102 F N 3.181 123.227 119.950 0.160 0.000 2.507 102 F HA 0.830 5.357 4.527 -0.000 0.000 0.325 102 F C -0.893 174.981 175.800 0.124 0.000 1.116 102 F CA -0.244 57.816 58.000 0.101 0.000 0.930 102 F CB 1.792 40.840 39.000 0.082 0.000 1.146 102 F HN 0.869 nan 8.300 nan 0.000 0.447 103 S N 5.698 120.936 115.700 -0.769 0.000 2.595 103 S HA 0.752 5.222 4.470 -0.000 0.000 0.281 103 S C -1.158 172.917 174.600 -0.875 0.000 1.117 103 S CA -0.853 56.915 58.200 -0.719 0.000 0.873 103 S CB 1.710 64.720 63.200 -0.317 0.000 1.108 103 S HN 0.628 nan 8.310 nan 0.000 0.477 104 I N 2.980 123.274 120.570 -0.460 0.000 2.330 104 I HA 0.486 4.656 4.170 -0.000 0.000 0.289 104 I C -0.645 175.381 176.117 -0.152 0.000 1.001 104 I CA -0.673 60.451 61.300 -0.294 0.000 1.193 104 I CB 0.731 38.666 38.000 -0.108 0.000 1.345 104 I HN 0.737 nan 8.210 nan 0.000 0.461 105 F N 6.088 125.893 119.950 -0.242 0.000 2.598 105 F HA 0.909 5.436 4.527 -0.000 0.000 0.327 105 F C -0.507 175.223 175.800 -0.116 0.000 1.057 105 F CA -1.184 56.698 58.000 -0.197 0.000 0.957 105 F CB 1.469 40.313 39.000 -0.259 0.000 1.278 105 F HN 0.346 nan 8.300 nan 0.000 0.484 106 M N 1.043 120.689 119.600 0.077 0.000 2.691 106 M HA 0.721 5.200 4.480 -0.000 0.000 0.293 106 M C -1.514 174.916 176.300 0.218 0.000 1.259 106 M CA -0.934 54.400 55.300 0.058 0.000 0.827 106 M CB 2.808 35.447 32.600 0.065 0.000 1.753 106 M HN 0.734 nan 8.290 nan 0.000 0.465 107 R N 0.288 120.893 120.500 0.175 0.000 2.832 107 R HA 0.322 4.662 4.340 -0.000 0.000 0.271 107 R C -0.250 176.163 176.300 0.188 0.000 0.996 107 R CA -0.727 55.480 56.100 0.178 0.000 0.977 107 R CB 1.301 31.696 30.300 0.159 0.000 1.168 107 R HN 0.887 nan 8.270 nan 0.000 0.482 108 D N -0.093 120.428 120.400 0.200 0.000 2.392 108 D HA -0.126 4.514 4.640 -0.000 0.000 0.228 108 D C 0.920 177.431 176.300 0.352 0.000 1.003 108 D CA 0.667 54.837 54.000 0.283 0.000 0.917 108 D CB 0.018 40.934 40.800 0.193 0.000 0.890 108 D HN 0.421 nan 8.370 nan 0.000 0.532 109 S N -1.714 114.088 115.700 0.171 0.000 2.548 109 S HA 0.363 4.833 4.470 -0.000 0.000 0.215 109 S C 1.820 176.254 174.600 -0.276 0.000 0.976 109 S CA 0.177 58.411 58.200 0.057 0.000 0.908 109 S CB -0.042 63.183 63.200 0.042 0.000 0.781 109 S HN 0.555 nan 8.310 nan 0.000 0.519 110 G N 1.079 109.650 108.800 -0.382 0.000 2.179 110 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 110 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 110 G C -0.188 174.561 174.900 -0.252 0.000 0.990 110 G CA 0.053 44.715 45.100 -0.731 0.000 0.646 110 G HN 0.756 nan 8.290 nan 0.000 0.517 111 E N 0.157 120.294 120.200 -0.105 0.000 2.373 111 E HA 0.511 4.861 4.350 -0.000 0.000 0.267 111 E C -0.354 176.214 176.600 -0.054 0.000 1.032 111 E CA -0.532 55.844 56.400 -0.040 0.000 0.889 111 E CB 0.509 30.220 29.700 0.018 0.000 0.984 111 E HN 0.296 nan 8.360 nan 0.000 0.425 112 I N 2.839 123.362 120.570 -0.079 0.000 2.646 112 I HA 0.723 4.893 4.170 -0.000 0.000 0.299 112 I C -0.184 175.736 176.117 -0.329 0.000 1.036 112 I CA -0.110 61.083 61.300 -0.179 0.000 1.074 112 I CB 1.978 39.972 38.000 -0.010 0.000 1.258 112 I HN 0.639 nan 8.210 nan 0.000 0.430 113 G N 4.635 112.969 108.800 -0.777 0.000 2.548 113 G HA2 0.616 4.576 3.960 -0.000 0.000 0.301 113 G HA3 0.616 4.576 3.960 -0.000 0.000 0.301 113 G C -1.813 172.663 174.900 -0.707 0.000 1.349 113 G CA -0.039 44.624 45.100 -0.728 0.000 0.792 113 G HN 1.105 nan 8.290 nan 0.000 0.481 114 V N -2.862 116.888 119.914 -0.273 0.000 2.962 114 V HA 0.907 5.027 4.120 -0.000 0.000 0.313 114 V C -0.837 175.210 176.094 -0.077 0.000 1.099 114 V CA -1.016 61.148 62.300 -0.228 0.000 0.971 114 V CB 1.959 33.562 31.823 -0.367 0.000 1.028 114 V HN 0.809 nan 8.190 nan 0.000 0.430 115 E N 2.337 122.429 120.200 -0.181 0.000 2.199 115 E HA 0.709 5.059 4.350 -0.000 0.000 0.269 115 E C -1.630 174.856 176.600 -0.190 0.000 0.899 115 E CA -0.743 55.522 56.400 -0.225 0.000 0.772 115 E CB 2.497 32.063 29.700 -0.223 0.000 1.155 115 E HN 0.731 nan 8.360 nan 0.000 0.408 116 I N 2.739 123.194 120.570 -0.191 0.000 2.466 116 I HA 0.335 4.505 4.170 -0.000 0.000 0.279 116 I C -0.501 175.442 176.117 -0.290 0.000 1.033 116 I CA -0.313 60.932 61.300 -0.092 0.000 1.123 116 I CB 1.148 39.144 38.000 -0.007 0.000 1.237 116 I HN 0.185 nan 8.210 nan 0.000 0.460 117 R N 3.614 123.894 120.500 -0.365 0.000 2.534 117 R HA 0.631 4.971 4.340 -0.000 0.000 0.301 117 R C -1.254 174.875 176.300 -0.285 0.000 0.961 117 R CA -0.838 55.005 56.100 -0.427 0.000 0.871 117 R CB 2.276 32.180 30.300 -0.661 0.000 1.170 117 R HN 0.419 nan 8.270 nan 0.000 0.446 118 D N 1.705 121.967 120.400 -0.230 0.000 2.478 118 D HA 0.197 4.837 4.640 -0.000 0.000 0.240 118 D C 0.138 176.378 176.300 -0.101 0.000 1.364 118 D CA -0.299 53.626 54.000 -0.126 0.000 0.987 118 D CB 1.926 42.665 40.800 -0.101 0.000 1.328 118 D HN 0.582 nan 8.370 nan 0.000 0.584 119 A N 3.299 126.088 122.820 -0.051 0.000 1.969 119 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 119 A C 1.739 179.305 177.584 -0.030 0.000 1.169 119 A CA 1.362 53.368 52.037 -0.051 0.000 0.635 119 A CB 0.005 18.978 19.000 -0.046 0.000 0.810 119 A HN 0.492 nan 8.150 nan 0.000 0.445 120 Q N 0.029 119.835 119.800 0.011 0.000 2.123 120 Q HA -0.029 4.311 4.340 -0.000 0.000 0.199 120 Q C 1.807 177.802 176.000 -0.007 0.000 0.966 120 Q CA 1.698 57.513 55.803 0.020 0.000 0.845 120 Q CB -0.209 28.566 28.738 0.061 0.000 0.907 120 Q HN 0.692 nan 8.270 nan 0.000 0.439 121 K N -1.064 119.320 120.400 -0.027 0.000 2.366 121 K HA 0.138 4.458 4.320 -0.000 0.000 0.198 121 K C 0.706 177.271 176.600 -0.059 0.000 1.044 121 K CA 0.586 56.850 56.287 -0.039 0.000 0.973 121 K CB 0.197 32.666 32.500 -0.052 0.000 0.767 121 K HN 0.313 nan 8.250 nan 0.000 0.475 122 G N 1.882 110.637 108.800 -0.076 0.000 2.176 122 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 122 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 122 G C -0.068 174.752 174.900 -0.134 0.000 1.024 122 G CA -0.080 44.968 45.100 -0.086 0.000 0.755 122 G HN 0.234 nan 8.290 nan 0.000 0.507 123 I N 0.373 120.818 120.570 -0.209 0.000 2.404 123 I HA 0.398 4.567 4.170 -0.000 0.000 0.293 123 I C -0.299 175.567 176.117 -0.419 0.000 0.992 123 I CA -0.858 60.213 61.300 -0.383 0.000 1.149 123 I CB 1.709 39.410 38.000 -0.498 0.000 1.315 123 I HN 0.027 nan 8.210 nan 0.000 0.446 124 N N 5.991 124.416 118.700 -0.457 0.000 2.716 124 N HA 0.161 4.901 4.740 -0.000 0.000 0.245 124 N C -1.457 173.874 175.510 -0.299 0.000 1.495 124 N CA -0.468 52.365 53.050 -0.362 0.000 0.759 124 N CB 0.896 39.236 38.487 -0.244 0.000 1.261 124 N HN 0.347 nan 8.380 nan 0.000 0.515 125 Y N 1.036 121.139 120.300 -0.328 0.000 2.359 125 Y HA 0.336 4.886 4.550 -0.000 0.000 0.330 125 Y C 0.439 175.902 175.900 -0.728 0.000 1.143 125 Y CA -0.690 57.070 58.100 -0.567 0.000 1.318 125 Y CB 0.629 38.722 38.460 -0.612 0.000 1.234 125 Y HN 0.290 nan 8.280 nan 0.000 0.522 126 L N 5.486 126.280 121.223 -0.715 0.000 2.446 126 L HA 0.626 4.966 4.340 -0.000 0.000 0.268 126 L C -2.119 174.334 176.870 -0.694 0.000 0.975 126 L CA -0.867 53.629 54.840 -0.572 0.000 0.848 126 L CB 0.435 42.325 42.059 -0.281 0.000 1.225 126 L HN 0.276 nan 8.230 nan 0.000 0.410 127 F N 3.014 122.801 119.950 -0.272 0.000 2.507 127 F HA 0.866 5.393 4.527 -0.000 0.000 0.325 127 F C 0.340 175.666 175.800 -0.789 0.000 1.116 127 F CA -0.514 57.096 58.000 -0.649 0.000 0.930 127 F CB 2.225 40.591 39.000 -1.057 0.000 1.146 127 F HN 0.576 nan 8.300 nan 0.000 0.447 128 S N 2.587 118.035 115.700 -0.421 0.000 2.607 128 S HA 0.791 5.261 4.470 -0.000 0.000 0.273 128 S C -1.358 173.250 174.600 0.015 0.000 1.148 128 S CA -1.106 56.980 58.200 -0.191 0.000 0.833 128 S CB 2.782 65.960 63.200 -0.037 0.000 1.130 128 S HN 0.756 nan 8.310 nan 0.000 0.470 129 R N 0.880 121.469 120.500 0.149 0.000 2.532 129 R HA 0.541 4.881 4.340 -0.000 0.000 0.297 129 R C -3.115 173.223 176.300 0.063 0.000 0.984 129 R CA -2.094 54.086 56.100 0.132 0.000 0.884 129 R CB 1.867 32.284 30.300 0.196 0.000 1.182 129 R HN 0.445 nan 8.270 nan 0.000 0.442 130 P HA -0.039 nan 4.420 nan 0.000 0.271 130 P C -0.756 176.538 177.300 -0.010 0.000 1.238 130 P CA 0.400 63.510 63.100 0.018 0.000 0.794 130 P CB 0.506 32.228 31.700 0.038 0.000 0.959 131 A N 0.677 123.459 122.820 -0.062 0.000 2.415 131 A HA -0.195 4.125 4.320 -0.000 0.000 0.292 131 A C 1.232 178.754 177.584 -0.103 0.000 1.452 131 A CA 1.235 53.205 52.037 -0.111 0.000 0.750 131 A CB -2.397 16.596 19.000 -0.011 0.000 1.099 131 A HN 0.380 nan 8.150 nan 0.000 0.391 132 S N -1.336 114.314 115.700 -0.084 0.000 2.523 132 S HA 0.422 4.892 4.470 -0.000 0.000 0.217 132 S C 0.550 175.182 174.600 0.053 0.000 0.996 132 S CA 0.415 58.615 58.200 -0.000 0.000 0.921 132 S CB 0.057 63.287 63.200 0.050 0.000 0.829 132 S HN 0.622 nan 8.310 nan 0.000 0.495 133 L N 0.028 121.242 121.223 -0.016 0.000 2.341 133 L HA 0.592 4.932 4.340 -0.000 0.000 0.267 133 L C -1.238 175.741 176.870 0.182 0.000 1.009 133 L CA -0.888 54.042 54.840 0.151 0.000 0.819 133 L CB 1.382 43.584 42.059 0.238 0.000 1.323 133 L HN 0.213 nan 8.230 nan 0.000 0.425 134 W N 0.041 121.492 121.300 0.251 0.000 2.512 134 W HA 0.563 5.222 4.660 -0.000 0.000 0.335 134 W C 0.931 177.649 176.519 0.332 0.000 1.088 134 W CA -0.016 57.526 57.345 0.329 0.000 1.236 134 W CB 1.742 31.346 29.460 0.240 0.000 1.307 134 W HN 0.610 nan 8.180 nan 0.000 0.567 135 G N 1.078 110.139 108.800 0.435 0.000 2.763 135 G HA2 0.134 4.093 3.960 -0.000 0.000 0.205 135 G HA3 0.134 4.093 3.960 -0.000 0.000 0.205 135 G C -0.323 174.681 174.900 0.172 0.000 1.137 135 G CA 0.106 45.270 45.100 0.106 0.000 0.839 135 G HN 0.259 nan 8.290 nan 0.000 0.596 136 K N -0.426 120.132 120.400 0.265 0.000 2.543 136 K HA 0.449 4.769 4.320 -0.000 0.000 0.255 136 K C -2.275 174.584 176.600 0.431 0.000 0.934 136 K CA -0.731 55.698 56.287 0.237 0.000 0.810 136 K CB 2.256 34.806 32.500 0.083 0.000 1.315 136 K HN 0.268 nan 8.250 nan 0.000 0.433 137 H N 2.680 121.888 119.070 0.230 0.000 2.934 137 H HA 0.282 4.837 4.556 -0.000 0.000 0.340 137 H C -1.201 174.232 175.328 0.175 0.000 1.008 137 H CA -0.396 55.796 56.048 0.241 0.000 1.317 137 H CB 0.899 30.719 29.762 0.096 0.000 1.670 137 H HN 0.619 nan 8.280 nan 0.000 0.516 138 K N 3.789 124.130 120.400 -0.098 0.000 3.125 138 K HA -0.164 4.156 4.320 -0.000 0.000 0.268 138 K C 0.591 177.202 176.600 0.018 0.000 1.078 138 K CA 0.839 57.067 56.287 -0.097 0.000 0.775 138 K CB -1.595 30.701 32.500 -0.339 0.000 1.253 138 K HN 1.218 nan 8.250 nan 0.000 0.486 139 G N 0.373 109.225 108.800 0.086 0.000 2.295 139 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.287 139 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.287 139 G C -0.340 174.581 174.900 0.036 0.000 1.055 139 G CA 0.731 45.862 45.100 0.052 0.000 0.922 139 G HN 0.413 nan 8.290 nan 0.000 0.503 140 Q N -1.234 118.597 119.800 0.051 0.000 2.320 140 Q HA 0.592 4.932 4.340 -0.000 0.000 0.272 140 Q C 0.024 176.072 176.000 0.080 0.000 1.023 140 Q CA -0.367 55.466 55.803 0.051 0.000 0.855 140 Q CB 2.128 30.888 28.738 0.037 0.000 1.367 140 Q HN 1.000 nan 8.270 nan 0.000 0.406 141 A N 2.187 125.047 122.820 0.067 0.000 2.548 141 A HA 0.255 4.575 4.320 -0.000 0.000 0.247 141 A C 0.199 177.834 177.584 0.084 0.000 1.067 141 A CA -0.054 52.029 52.037 0.077 0.000 0.757 141 A CB 0.088 19.126 19.000 0.064 0.000 0.996 141 A HN 0.442 nan 8.150 nan 0.000 0.504 142 V N 3.063 123.047 119.914 0.118 0.000 2.686 142 V HA 0.086 4.206 4.120 -0.000 0.000 0.295 142 V C 0.873 176.978 176.094 0.017 0.000 1.055 142 V CA -0.128 62.228 62.300 0.094 0.000 1.050 142 V CB 1.239 33.175 31.823 0.189 0.000 0.984 142 V HN 0.947 nan 8.190 nan 0.000 0.482 143 E N 4.721 124.911 120.200 -0.018 0.000 2.001 143 E HA 0.159 4.508 4.350 -0.000 0.000 0.279 143 E C -0.351 176.188 176.600 -0.100 0.000 1.045 143 E CA -0.470 55.892 56.400 -0.063 0.000 0.833 143 E CB 0.297 29.982 29.700 -0.026 0.000 1.077 143 E HN 0.669 nan 8.360 nan 0.000 0.397 144 N N 2.651 121.197 118.700 -0.258 0.000 2.525 144 N HA 0.124 4.864 4.740 -0.000 0.000 0.271 144 N C -0.771 174.681 175.510 -0.096 0.000 1.194 144 N CA 0.286 53.190 53.050 -0.243 0.000 0.964 144 N CB 1.507 39.618 38.487 -0.627 0.000 1.126 144 N HN 0.310 nan 8.380 nan 0.000 0.452 145 T N 2.000 116.590 114.554 0.060 0.000 2.809 145 T HA 0.350 4.700 4.350 -0.000 0.000 0.296 145 T C -0.046 174.783 174.700 0.216 0.000 1.015 145 T CA -0.482 61.697 62.100 0.131 0.000 0.954 145 T CB 0.739 69.653 68.868 0.078 0.000 0.950 145 T HN 0.256 nan 8.240 nan 0.000 0.450 146 L N 4.706 126.106 121.223 0.294 0.000 2.307 146 L HA 0.776 5.116 4.340 -0.000 0.000 0.284 146 L C -1.132 175.895 176.870 0.262 0.000 1.023 146 L CA -0.631 54.399 54.840 0.317 0.000 0.810 146 L CB 1.011 43.306 42.059 0.392 0.000 1.231 146 L HN 0.370 nan 8.230 nan 0.000 0.423 147 V N 5.586 125.666 119.914 0.276 0.000 2.380 147 V HA 0.309 4.429 4.120 -0.000 0.000 0.286 147 V C -0.808 175.521 176.094 0.392 0.000 1.015 147 V CA -0.438 62.020 62.300 0.264 0.000 0.834 147 V CB 1.220 33.116 31.823 0.121 0.000 1.009 147 V HN 0.538 nan 8.190 nan 0.000 0.428 148 F N 6.195 126.269 119.950 0.207 0.000 2.404 148 F HA 0.717 5.244 4.527 -0.000 0.000 0.354 148 F C -0.276 175.662 175.800 0.230 0.000 1.122 148 F CA -0.892 57.241 58.000 0.222 0.000 1.080 148 F CB 1.599 40.777 39.000 0.297 0.000 1.131 148 F HN 0.244 nan 8.300 nan 0.000 0.471 149 V N 5.529 125.212 119.914 -0.385 0.000 2.313 149 V HA 0.283 4.403 4.120 -0.000 0.000 0.278 149 V C -0.135 175.655 176.094 -0.506 0.000 1.017 149 V CA -0.684 61.418 62.300 -0.329 0.000 0.823 149 V CB 0.976 32.760 31.823 -0.065 0.000 1.010 149 V HN 0.806 nan 8.190 nan 0.000 0.443 150 S N 3.780 119.238 115.700 -0.404 0.000 2.404 150 S HA 0.317 4.786 4.470 -0.000 0.000 0.309 150 S C -0.621 174.016 174.600 0.062 0.000 1.076 150 S CA -0.493 57.677 58.200 -0.050 0.000 1.095 150 S CB 0.192 63.465 63.200 0.121 0.000 0.972 150 S HN 0.789 nan 8.310 nan 0.000 0.484 151 D N 3.081 123.443 120.400 -0.064 0.000 2.440 151 D HA 0.307 4.947 4.640 -0.000 0.000 0.239 151 D C 1.121 176.935 176.300 -0.810 0.000 1.084 151 D CA -0.426 53.403 54.000 -0.286 0.000 0.843 151 D CB 1.812 42.471 40.800 -0.235 0.000 1.097 151 D HN 0.504 nan 8.370 nan 0.000 0.531 152 S N 3.391 118.594 115.700 -0.829 0.000 2.436 152 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 152 S C 1.606 175.817 174.600 -0.649 0.000 1.014 152 S CA 0.456 57.945 58.200 -1.185 0.000 0.950 152 S CB 0.119 62.975 63.200 -0.574 0.000 0.784 152 S HN 0.392 nan 8.310 nan 0.000 0.504 153 K N 1.126 121.291 120.400 -0.392 0.000 2.097 153 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 153 K C 0.952 177.412 176.600 -0.234 0.000 1.049 153 K CA 1.670 57.809 56.287 -0.246 0.000 0.933 153 K CB -0.124 32.276 32.500 -0.168 0.000 0.717 153 K HN 0.333 nan 8.250 nan 0.000 0.442 154 D N -0.216 120.019 120.400 -0.275 0.000 2.367 154 D HA 0.041 4.681 4.640 -0.000 0.000 0.207 154 D C -0.507 175.647 176.300 -0.243 0.000 1.034 154 D CA 0.214 54.085 54.000 -0.215 0.000 0.861 154 D CB 0.390 41.083 40.800 -0.177 0.000 0.943 154 D HN 0.004 nan 8.370 nan 0.000 0.515 155 K N 0.182 120.332 120.400 -0.416 0.000 3.148 155 K HA -0.130 4.190 4.320 -0.000 0.000 0.267 155 K C -0.679 175.811 176.600 -0.183 0.000 0.996 155 K CA 0.543 56.622 56.287 -0.347 0.000 0.737 155 K CB -2.280 30.188 32.500 -0.054 0.000 1.308 155 K HN 0.125 nan 8.250 nan 0.000 0.470 156 T N 0.534 114.914 114.554 -0.289 0.000 2.841 156 T HA 0.486 4.835 4.350 -0.000 0.000 0.283 156 T C -0.785 173.764 174.700 -0.252 0.000 1.000 156 T CA -0.616 61.345 62.100 -0.232 0.000 0.977 156 T CB 0.686 69.452 68.868 -0.169 0.000 0.979 156 T HN 0.100 nan 8.240 nan 0.000 0.446 157 Y N 1.519 121.886 120.300 0.112 0.000 2.369 157 Y HA 0.509 5.059 4.550 -0.000 0.000 0.337 157 Y C 0.805 176.813 175.900 0.180 0.000 0.961 157 Y CA -0.803 57.423 58.100 0.210 0.000 1.186 157 Y CB 1.197 39.998 38.460 0.568 0.000 1.139 157 Y HN 0.510 nan 8.280 nan 0.000 0.494 158 T N 4.699 119.319 114.554 0.112 0.000 2.841 158 T HA 0.561 4.911 4.350 -0.000 0.000 0.283 158 T C -0.868 173.736 174.700 -0.159 0.000 1.000 158 T CA -0.694 61.340 62.100 -0.111 0.000 0.977 158 T CB 1.267 70.027 68.868 -0.181 0.000 0.979 158 T HN 0.507 nan 8.240 nan 0.000 0.446 159 M N 3.708 122.935 119.600 -0.622 0.000 2.259 159 M HA 0.574 5.054 4.480 -0.000 0.000 0.304 159 M C -2.154 173.840 176.300 -0.510 0.000 1.019 159 M CA -0.562 54.445 55.300 -0.488 0.000 0.922 159 M CB 0.953 32.880 32.600 -1.121 0.000 1.600 159 M HN 0.603 nan 8.290 nan 0.000 0.433 160 Y N 3.374 123.638 120.300 -0.061 0.000 2.446 160 Y HA 0.826 5.376 4.550 -0.000 0.000 0.338 160 Y C -0.594 175.341 175.900 0.058 0.000 1.055 160 Y CA -1.115 56.981 58.100 -0.007 0.000 1.101 160 Y CB 1.812 40.282 38.460 0.017 0.000 1.221 160 Y HN 0.421 nan 8.280 nan 0.000 0.460 161 V N 2.559 122.615 119.914 0.237 0.000 2.623 161 V HA 0.275 4.395 4.120 -0.000 0.000 0.304 161 V C -0.603 175.646 176.094 0.260 0.000 1.054 161 V CA -1.414 61.034 62.300 0.246 0.000 0.882 161 V CB 1.498 33.461 31.823 0.234 0.000 1.002 161 V HN 0.960 nan 8.190 nan 0.000 0.424 162 N N 3.600 122.441 118.700 0.235 0.000 2.754 162 N HA -0.203 4.537 4.740 -0.000 0.000 0.248 162 N C 1.138 176.768 175.510 0.199 0.000 1.093 162 N CA 1.741 54.926 53.050 0.226 0.000 0.699 162 N CB -1.200 37.540 38.487 0.421 0.000 1.016 162 N HN 1.653 nan 8.380 nan 0.000 0.552 163 G N -1.325 107.570 108.800 0.159 0.000 2.225 163 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.254 163 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.254 163 G C 0.106 175.131 174.900 0.208 0.000 0.988 163 G CA 0.425 45.597 45.100 0.122 0.000 0.625 163 G HN 0.483 nan 8.290 nan 0.000 0.527 164 I N 1.424 122.145 120.570 0.253 0.000 2.353 164 I HA 0.347 4.517 4.170 -0.000 0.000 0.293 164 I C 0.612 176.852 176.117 0.206 0.000 0.992 164 I CA -0.625 60.808 61.300 0.222 0.000 1.268 164 I CB 1.619 39.727 38.000 0.180 0.000 1.387 164 I HN 0.146 nan 8.210 nan 0.000 0.478 165 E N 5.256 125.532 120.200 0.126 0.000 2.299 165 E HA 0.104 4.453 4.350 -0.000 0.000 0.272 165 E C 0.576 177.109 176.600 -0.112 0.000 1.043 165 E CA -0.218 56.063 56.400 -0.198 0.000 0.895 165 E CB 1.114 30.661 29.700 -0.256 0.000 1.011 165 E HN 0.623 nan 8.360 nan 0.000 0.432 166 V N 2.715 122.521 119.914 -0.181 0.000 3.212 166 V HA 0.297 4.416 4.120 -0.000 0.000 0.244 166 V C 0.106 176.240 176.094 0.068 0.000 1.151 166 V CA 0.137 62.415 62.300 -0.036 0.000 1.119 166 V CB -0.392 31.436 31.823 0.008 0.000 0.838 166 V HN 0.493 nan 8.190 nan 0.000 0.470 167 F N -1.068 118.846 119.950 -0.060 0.000 2.686 167 F HA 0.875 5.402 4.527 -0.000 0.000 0.311 167 F C -0.835 174.881 175.800 -0.140 0.000 1.128 167 F CA -0.856 57.103 58.000 -0.069 0.000 0.946 167 F CB 1.417 40.408 39.000 -0.015 0.000 1.336 167 F HN -0.132 nan 8.300 nan 0.000 0.457 168 S N 1.232 116.998 115.700 0.110 0.000 2.653 168 S HA 0.495 4.965 4.470 -0.000 0.000 0.268 168 S C -2.021 172.524 174.600 -0.092 0.000 1.153 168 S CA -0.449 57.727 58.200 -0.041 0.000 1.036 168 S CB 0.801 63.883 63.200 -0.198 0.000 1.103 168 S HN 0.665 nan 8.310 nan 0.000 0.466 169 E N 3.033 123.145 120.200 -0.146 0.000 2.218 169 E HA 0.377 4.727 4.350 -0.000 0.000 0.263 169 E C -0.836 175.607 176.600 -0.262 0.000 0.879 169 E CA -0.519 55.662 56.400 -0.365 0.000 0.762 169 E CB 1.982 31.032 29.700 -1.083 0.000 1.166 169 E HN 0.579 nan 8.360 nan 0.000 0.415 170 T N 1.619 116.061 114.554 -0.185 0.000 2.837 170 T HA 0.476 4.826 4.350 -0.000 0.000 0.285 170 T C 0.407 175.060 174.700 -0.079 0.000 0.984 170 T CA -0.635 61.394 62.100 -0.120 0.000 1.049 170 T CB 1.051 69.862 68.868 -0.096 0.000 0.947 170 T HN 0.308 nan 8.240 nan 0.000 0.472 171 V N 0.272 120.171 119.914 -0.024 0.000 3.046 171 V HA 0.562 4.682 4.120 -0.000 0.000 0.316 171 V C 0.347 176.491 176.094 0.083 0.000 1.104 171 V CA -0.834 61.475 62.300 0.015 0.000 1.006 171 V CB 2.012 33.809 31.823 -0.044 0.000 1.058 171 V HN 0.691 nan 8.190 nan 0.000 0.440 172 D N 1.050 121.519 120.400 0.115 0.000 2.106 172 D HA 0.003 4.643 4.640 -0.000 0.000 0.203 172 D C 0.604 177.005 176.300 0.168 0.000 0.977 172 D CA 1.758 55.828 54.000 0.117 0.000 0.844 172 D CB 0.082 40.946 40.800 0.106 0.000 1.002 172 D HN 0.723 nan 8.370 nan 0.000 0.461 173 T N 1.629 116.329 114.554 0.243 0.000 2.781 173 T HA 0.222 4.572 4.350 -0.000 0.000 0.305 173 T C -0.197 174.751 174.700 0.413 0.000 1.001 173 T CA -0.526 61.739 62.100 0.276 0.000 0.950 173 T CB 0.383 69.384 68.868 0.222 0.000 0.955 173 T HN -0.126 nan 8.240 nan 0.000 0.471 174 F N 4.212 124.287 119.950 0.209 0.000 2.443 174 F HA 0.492 5.019 4.527 -0.000 0.000 0.353 174 F C -0.241 175.736 175.800 0.296 0.000 1.101 174 F CA -1.297 56.850 58.000 0.245 0.000 1.226 174 F CB 0.593 39.638 39.000 0.075 0.000 1.140 174 F HN 0.353 nan 8.300 nan 0.000 0.557 175 L N 9.047 130.148 121.223 -0.203 0.000 2.353 175 L HA 0.568 4.908 4.340 -0.000 0.000 0.270 175 L C -2.672 173.993 176.870 -0.342 0.000 1.003 175 L CA -2.367 52.387 54.840 -0.143 0.000 0.862 175 L CB 0.769 42.802 42.059 -0.043 0.000 1.221 175 L HN 0.343 nan 8.230 nan 0.000 0.430 176 P HA 0.090 nan 4.420 nan 0.000 0.265 176 P C 1.322 178.641 177.300 0.032 0.000 1.193 176 P CA 0.121 63.269 63.100 0.080 0.000 0.765 176 P CB 0.515 32.355 31.700 0.233 0.000 0.823 177 I N 0.932 121.516 120.570 0.023 0.000 2.700 177 I HA -0.185 3.984 4.170 -0.000 0.000 0.261 177 I C 1.026 177.137 176.117 -0.011 0.000 1.219 177 I CA 1.815 63.070 61.300 -0.075 0.000 1.463 177 I CB -0.527 37.195 38.000 -0.463 0.000 1.092 177 I HN 0.178 nan 8.210 nan 0.000 0.452 178 S N -0.704 115.011 115.700 0.026 0.000 2.557 178 S HA 0.207 4.677 4.470 -0.000 0.000 0.223 178 S C 1.058 175.681 174.600 0.038 0.000 0.969 178 S CA -0.285 57.938 58.200 0.039 0.000 0.927 178 S CB -0.316 62.915 63.200 0.051 0.000 0.806 178 S HN 0.406 nan 8.310 nan 0.000 0.489 179 N N 1.292 120.016 118.700 0.040 0.000 2.299 179 N HA 0.374 5.114 4.740 -0.000 0.000 0.187 179 N C -0.139 175.379 175.510 0.013 0.000 1.099 179 N CA -0.158 52.912 53.050 0.034 0.000 0.867 179 N CB -0.186 38.333 38.487 0.053 0.000 0.974 179 N HN 0.465 nan 8.380 nan 0.000 0.477 180 I N 2.400 122.975 120.570 0.009 0.000 2.821 180 I HA -0.127 4.043 4.170 -0.000 0.000 0.294 180 I C 0.601 176.708 176.117 -0.017 0.000 1.210 180 I CA 0.004 61.302 61.300 -0.004 0.000 1.430 180 I CB 0.084 38.090 38.000 0.012 0.000 1.356 180 I HN 0.249 nan 8.210 nan 0.000 0.563 181 N N 6.400 125.083 118.700 -0.029 0.000 2.497 181 N HA 0.117 4.857 4.740 -0.000 0.000 0.271 181 N C 0.674 176.094 175.510 -0.150 0.000 1.142 181 N CA 0.372 53.382 53.050 -0.065 0.000 0.965 181 N CB 1.505 39.965 38.487 -0.046 0.000 1.077 181 N HN 0.961 nan 8.380 nan 0.000 0.462 182 G N 2.136 110.836 108.800 -0.166 0.000 2.136 182 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.242 182 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.242 182 G C 0.144 174.950 174.900 -0.157 0.000 0.989 182 G CA -0.168 44.792 45.100 -0.233 0.000 0.682 182 G HN 0.706 nan 8.290 nan 0.000 0.522 183 I N 1.464 121.982 120.570 -0.087 0.000 2.741 183 I HA 0.183 4.353 4.170 -0.000 0.000 0.288 183 I C 0.992 177.079 176.117 -0.051 0.000 1.192 183 I CA 1.305 62.577 61.300 -0.047 0.000 1.426 183 I CB 0.590 38.582 38.000 -0.013 0.000 1.367 183 I HN 0.377 nan 8.210 nan 0.000 0.563 184 D N 4.442 124.814 120.400 -0.047 0.000 2.523 184 D HA 0.106 4.745 4.640 -0.000 0.000 0.269 184 D C -0.232 176.044 176.300 -0.040 0.000 1.374 184 D CA -0.253 53.721 54.000 -0.044 0.000 0.820 184 D CB 0.472 41.241 40.800 -0.051 0.000 1.211 184 D HN 0.150 nan 8.370 nan 0.000 0.502 185 K N 0.714 121.088 120.400 -0.043 0.000 2.468 185 K HA 0.774 5.094 4.320 -0.000 0.000 0.252 185 K C -1.215 175.339 176.600 -0.077 0.000 0.932 185 K CA -0.643 55.611 56.287 -0.055 0.000 0.794 185 K CB 2.701 35.168 32.500 -0.055 0.000 1.241 185 K HN 0.104 nan 8.250 nan 0.000 0.428 186 A N 2.035 124.802 122.820 -0.089 0.000 2.304 186 A HA 0.738 5.058 4.320 -0.000 0.000 0.314 186 A C -0.627 176.882 177.584 -0.124 0.000 1.187 186 A CA -0.417 51.547 52.037 -0.121 0.000 0.810 186 A CB 0.711 19.674 19.000 -0.062 0.000 1.183 186 A HN 0.562 nan 8.150 nan 0.000 0.487 187 T N 2.129 116.570 114.554 -0.188 0.000 2.906 187 T HA 0.658 5.007 4.350 -0.000 0.000 0.295 187 T C -0.732 173.917 174.700 -0.086 0.000 1.061 187 T CA -0.432 61.593 62.100 -0.125 0.000 1.000 187 T CB 1.311 70.107 68.868 -0.119 0.000 1.103 187 T HN 0.473 nan 8.240 nan 0.000 0.486 188 L N 1.571 122.770 121.223 -0.040 0.000 2.356 188 L HA 0.638 4.978 4.340 -0.000 0.000 0.277 188 L C 1.040 177.916 176.870 0.010 0.000 0.996 188 L CA -0.694 54.150 54.840 0.007 0.000 0.822 188 L CB 1.602 43.618 42.059 -0.072 0.000 1.256 188 L HN 1.063 nan 8.230 nan 0.000 0.413 189 G N 2.211 111.028 108.800 0.030 0.000 2.141 189 G HA2 0.026 3.986 3.960 -0.000 0.000 0.242 189 G HA3 0.026 3.986 3.960 -0.000 0.000 0.242 189 G C -0.041 174.877 174.900 0.030 0.000 0.982 189 G CA 0.193 45.318 45.100 0.041 0.000 0.662 189 G HN 1.155 nan 8.290 nan 0.000 0.527 190 A N -2.071 120.754 122.820 0.008 0.000 2.544 190 A HA 0.800 5.120 4.320 -0.000 0.000 0.291 190 A C -1.107 176.458 177.584 -0.031 0.000 1.055 190 A CA 0.100 52.145 52.037 0.014 0.000 0.651 190 A CB 1.075 20.074 19.000 -0.001 0.000 1.296 190 A HN 1.475 nan 8.150 nan 0.000 0.431 191 V N 2.159 122.066 119.914 -0.012 0.000 2.409 191 V HA 0.389 4.508 4.120 -0.000 0.000 0.291 191 V C -0.053 175.988 176.094 -0.088 0.000 1.020 191 V CA -0.819 61.401 62.300 -0.133 0.000 0.848 191 V CB 1.520 33.154 31.823 -0.314 0.000 0.990 191 V HN 0.804 nan 8.190 nan 0.000 0.430 192 N N 5.376 124.023 118.700 -0.088 0.000 2.399 192 N HA 0.175 4.915 4.740 -0.000 0.000 0.259 192 N C -0.279 175.204 175.510 -0.045 0.000 1.160 192 N CA 0.056 53.084 53.050 -0.037 0.000 0.946 192 N CB 0.174 38.640 38.487 -0.035 0.000 1.156 192 N HN 0.599 nan 8.380 nan 0.000 0.489 193 R N 2.792 123.287 120.500 -0.009 0.000 2.360 193 R HA 0.193 4.532 4.340 -0.000 0.000 0.318 193 R C -0.256 176.056 176.300 0.021 0.000 0.950 193 R CA -0.566 55.486 56.100 -0.081 0.000 0.837 193 R CB 0.822 30.862 30.300 -0.433 0.000 1.165 193 R HN 0.576 nan 8.270 nan 0.000 0.458 194 E N 1.553 121.770 120.200 0.028 0.000 2.328 194 E HA -0.290 4.060 4.350 -0.000 0.000 0.233 194 E C 0.569 177.195 176.600 0.043 0.000 1.219 194 E CA 0.673 57.101 56.400 0.046 0.000 0.717 194 E CB -1.047 28.678 29.700 0.041 0.000 1.210 194 E HN 1.189 nan 8.360 nan 0.000 0.381 195 G N -0.298 108.522 108.800 0.033 0.000 2.176 195 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.253 195 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.253 195 G C 0.126 175.036 174.900 0.017 0.000 0.979 195 G CA 0.708 45.820 45.100 0.021 0.000 0.641 195 G HN 0.272 nan 8.290 nan 0.000 0.530 196 K N 0.273 120.697 120.400 0.040 0.000 2.385 196 K HA 0.509 4.828 4.320 -0.000 0.000 0.248 196 K C -0.539 176.081 176.600 0.032 0.000 0.955 196 K CA -0.838 55.456 56.287 0.011 0.000 0.816 196 K CB 1.810 34.294 32.500 -0.027 0.000 1.250 196 K HN 0.241 nan 8.250 nan 0.000 0.434 197 E N 1.911 122.077 120.200 -0.056 0.000 2.217 197 E HA 0.090 4.439 4.350 -0.000 0.000 0.279 197 E C -0.878 175.615 176.600 -0.178 0.000 1.068 197 E CA -0.026 56.337 56.400 -0.062 0.000 0.882 197 E CB 0.339 30.000 29.700 -0.066 0.000 1.039 197 E HN 0.300 nan 8.360 nan 0.000 0.418 198 H N 1.214 120.159 119.070 -0.208 0.000 2.533 198 H HA 0.210 4.765 4.556 -0.000 0.000 0.343 198 H C -0.820 174.335 175.328 -0.289 0.000 1.160 198 H CA -0.722 55.072 56.048 -0.423 0.000 1.218 198 H CB 0.580 29.938 29.762 -0.674 0.000 1.566 198 H HN 0.483 nan 8.280 nan 0.000 0.522 199 Y N -0.958 119.335 120.300 -0.012 0.000 3.234 199 Y HA -0.235 4.314 4.550 -0.000 0.000 0.207 199 Y C -0.182 175.700 175.900 -0.029 0.000 1.316 199 Y CA -0.289 57.789 58.100 -0.036 0.000 1.309 199 Y CB -2.380 36.037 38.460 -0.071 0.000 1.408 199 Y HN 0.425 nan 8.280 nan 0.000 0.544 200 L N 0.874 122.118 121.223 0.034 0.000 2.540 200 L HA 0.241 4.581 4.340 -0.000 0.000 0.276 200 L C 0.983 177.888 176.870 0.058 0.000 1.212 200 L CA 0.521 55.377 54.840 0.028 0.000 0.893 200 L CB 0.498 42.549 42.059 -0.013 0.000 1.138 200 L HN 0.510 nan 8.230 nan 0.000 0.491 201 A N 4.315 127.173 122.820 0.063 0.000 2.301 201 A HA 0.537 4.857 4.320 -0.000 0.000 0.312 201 A C -0.436 177.197 177.584 0.081 0.000 1.182 201 A CA -0.585 51.500 52.037 0.080 0.000 0.826 201 A CB 1.081 20.129 19.000 0.081 0.000 1.134 201 A HN 0.556 nan 8.150 nan 0.000 0.501 202 K N 1.713 122.168 120.400 0.093 0.000 2.367 202 K HA 0.654 4.973 4.320 -0.000 0.000 0.263 202 K C 0.088 176.764 176.600 0.126 0.000 1.000 202 K CA 0.561 56.905 56.287 0.094 0.000 0.891 202 K CB 0.649 33.195 32.500 0.077 0.000 1.117 202 K HN 1.294 nan 8.250 nan 0.000 0.443 203 G N 0.804 109.687 108.800 0.139 0.000 2.356 203 G HA2 0.386 4.346 3.960 -0.000 0.000 0.281 203 G HA3 0.386 4.346 3.960 -0.000 0.000 0.281 203 G C -1.625 173.386 174.900 0.184 0.000 1.246 203 G CA -0.218 44.991 45.100 0.181 0.000 0.889 203 G HN 0.937 nan 8.290 nan 0.000 0.486 204 S N -1.126 114.712 115.700 0.230 0.000 2.533 204 S HA 0.728 5.198 4.470 -0.000 0.000 0.271 204 S C -1.208 173.563 174.600 0.285 0.000 1.143 204 S CA -0.755 57.579 58.200 0.223 0.000 0.891 204 S CB 1.643 64.944 63.200 0.167 0.000 1.105 204 S HN 0.874 nan 8.310 nan 0.000 0.468 205 I N 2.807 123.563 120.570 0.309 0.000 2.362 205 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 205 I C 0.519 176.823 176.117 0.312 0.000 0.994 205 I CA -0.549 60.964 61.300 0.355 0.000 1.158 205 I CB 1.609 39.834 38.000 0.376 0.000 1.315 205 I HN 0.863 nan 8.210 nan 0.000 0.451 206 D N 4.246 124.785 120.400 0.231 0.000 2.262 206 D HA 0.020 4.660 4.640 -0.000 0.000 0.212 206 D C 0.385 176.759 176.300 0.123 0.000 0.964 206 D CA 1.024 55.105 54.000 0.135 0.000 0.875 206 D CB 0.976 41.832 40.800 0.094 0.000 0.996 206 D HN 0.552 nan 8.370 nan 0.000 0.497 207 E N 0.518 120.818 120.200 0.168 0.000 2.304 207 E HA 0.317 4.667 4.350 -0.000 0.000 0.277 207 E C -1.660 175.043 176.600 0.173 0.000 0.898 207 E CA -0.551 55.931 56.400 0.136 0.000 0.764 207 E CB 2.061 31.808 29.700 0.079 0.000 1.216 207 E HN 0.071 nan 8.360 nan 0.000 0.419 208 I N 2.581 123.249 120.570 0.163 0.000 2.466 208 I HA 0.422 4.592 4.170 -0.000 0.000 0.289 208 I C -1.368 174.756 176.117 0.011 0.000 1.026 208 I CA -0.184 61.187 61.300 0.119 0.000 1.078 208 I CB 1.728 39.820 38.000 0.152 0.000 1.249 208 I HN 0.335 nan 8.210 nan 0.000 0.429 209 S N 6.770 122.471 115.700 0.003 0.000 2.542 209 S HA 0.768 5.238 4.470 -0.000 0.000 0.293 209 S C -1.037 173.489 174.600 -0.124 0.000 1.089 209 S CA -0.513 57.610 58.200 -0.130 0.000 0.961 209 S CB 1.942 65.049 63.200 -0.154 0.000 1.062 209 S HN 0.462 nan 8.310 nan 0.000 0.483 210 L N 2.209 123.268 121.223 -0.274 0.000 2.370 210 L HA 0.708 5.048 4.340 -0.000 0.000 0.266 210 L C -1.507 175.065 176.870 -0.497 0.000 1.002 210 L CA -0.197 54.540 54.840 -0.172 0.000 0.818 210 L CB 1.340 43.407 42.059 0.013 0.000 1.325 210 L HN 0.598 nan 8.230 nan 0.000 0.418 211 F N 0.276 120.258 119.950 0.052 0.000 2.551 211 F HA 0.396 4.923 4.527 -0.000 0.000 0.316 211 F C 0.377 176.199 175.800 0.038 0.000 1.089 211 F CA -0.644 57.379 58.000 0.039 0.000 0.915 211 F CB 1.448 40.459 39.000 0.019 0.000 1.186 211 F HN 0.372 nan 8.300 nan 0.000 0.456 212 N N 2.982 121.792 118.700 0.182 0.000 3.303 212 N HA 0.186 4.926 4.740 -0.000 0.000 0.304 212 N C -0.955 174.622 175.510 0.112 0.000 1.302 212 N CA -0.221 52.903 53.050 0.123 0.000 1.213 212 N CB 0.250 38.788 38.487 0.085 0.000 1.481 212 N HN 0.391 nan 8.380 nan 0.000 0.546 213 K N 0.703 121.175 120.400 0.120 0.000 2.600 213 K HA 0.367 4.687 4.320 -0.000 0.000 0.262 213 K C -1.841 174.774 176.600 0.025 0.000 0.935 213 K CA -0.617 55.707 56.287 0.062 0.000 0.866 213 K CB 1.394 33.932 32.500 0.063 0.000 1.354 213 K HN 0.141 nan 8.250 nan 0.000 0.419 214 A N 5.508 128.314 122.820 -0.024 0.000 2.269 214 A HA 0.456 4.775 4.320 -0.000 0.000 0.302 214 A C 0.266 177.801 177.584 -0.082 0.000 1.266 214 A CA -0.819 51.183 52.037 -0.058 0.000 0.894 214 A CB -0.417 18.533 19.000 -0.084 0.000 1.147 214 A HN 0.647 nan 8.150 nan 0.000 0.537 215 I N 1.201 121.705 120.570 -0.110 0.000 2.662 215 I HA 0.491 4.660 4.170 -0.000 0.000 0.291 215 I C 0.636 176.687 176.117 -0.110 0.000 1.046 215 I CA -0.504 60.710 61.300 -0.143 0.000 1.361 215 I CB 1.178 39.034 38.000 -0.239 0.000 1.429 215 I HN 0.555 nan 8.210 nan 0.000 0.558 216 S N 2.059 117.696 115.700 -0.106 0.000 2.593 216 S HA 0.038 4.508 4.470 -0.000 0.000 0.269 216 S C 0.552 175.099 174.600 -0.089 0.000 1.334 216 S CA -0.194 57.958 58.200 -0.080 0.000 1.015 216 S CB 1.346 64.504 63.200 -0.071 0.000 0.912 216 S HN 0.847 nan 8.310 nan 0.000 0.541 217 D N 0.971 121.341 120.400 -0.049 0.000 2.149 217 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 217 D C 2.015 178.262 176.300 -0.088 0.000 0.990 217 D CA 1.774 55.748 54.000 -0.044 0.000 0.839 217 D CB -0.172 40.644 40.800 0.027 0.000 0.948 217 D HN 0.752 nan 8.370 nan 0.000 0.460 218 Q N 0.074 119.833 119.800 -0.068 0.000 2.096 218 Q HA -0.181 4.158 4.340 -0.000 0.000 0.204 218 Q C 2.119 178.059 176.000 -0.100 0.000 0.982 218 Q CA 1.391 57.151 55.803 -0.071 0.000 0.850 218 Q CB -0.200 28.505 28.738 -0.054 0.000 0.901 218 Q HN 0.413 nan 8.270 nan 0.000 0.422 219 E N 0.092 120.219 120.200 -0.121 0.000 2.208 219 E HA -0.112 4.237 4.350 -0.000 0.000 0.193 219 E C 1.970 178.454 176.600 -0.193 0.000 0.988 219 E CA 0.809 57.120 56.400 -0.149 0.000 0.828 219 E CB 0.175 29.778 29.700 -0.162 0.000 0.763 219 E HN 0.143 nan 8.360 nan 0.000 0.478 220 V N 1.029 120.797 119.914 -0.243 0.000 2.358 220 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 220 V C 2.124 178.056 176.094 -0.269 0.000 1.047 220 V CA 1.982 64.070 62.300 -0.352 0.000 1.035 220 V CB -0.364 31.049 31.823 -0.683 0.000 0.658 220 V HN 0.304 nan 8.190 nan 0.000 0.452 221 S N 0.092 115.673 115.700 -0.199 0.000 2.607 221 S HA -0.088 4.382 4.470 -0.000 0.000 0.224 221 S C 1.676 176.217 174.600 -0.099 0.000 0.969 221 S CA 0.919 59.041 58.200 -0.129 0.000 0.927 221 S CB -0.481 62.667 63.200 -0.086 0.000 0.772 221 S HN 0.761 nan 8.310 nan 0.000 0.533 222 T N -0.638 113.852 114.554 -0.106 0.000 3.086 222 T HA 0.379 4.729 4.350 -0.000 0.000 0.250 222 T C 0.474 175.125 174.700 -0.081 0.000 1.074 222 T CA -0.431 61.619 62.100 -0.083 0.000 0.988 222 T CB -0.540 68.282 68.868 -0.077 0.000 0.988 222 T HN 0.370 nan 8.240 nan 0.000 0.530 223 I N 4.256 124.767 120.570 -0.098 0.000 2.471 223 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 223 I C -1.808 174.274 176.117 -0.058 0.000 1.079 223 I CA -2.245 59.009 61.300 -0.077 0.000 1.398 223 I CB 0.785 38.731 38.000 -0.090 0.000 1.403 223 I HN 0.128 nan 8.210 nan 0.000 0.530 224 P HA 0.307 nan 4.420 nan 0.000 0.275 224 P C -1.150 176.126 177.300 -0.040 0.000 1.228 224 P CA -0.203 62.873 63.100 -0.040 0.000 0.786 224 P CB 1.064 32.746 31.700 -0.030 0.000 0.927 225 L N 1.593 122.781 121.223 -0.058 0.000 2.365 225 L HA 0.362 4.702 4.340 -0.000 0.000 0.273 225 L C 0.336 177.149 176.870 -0.095 0.000 1.000 225 L CA -0.590 54.206 54.840 -0.074 0.000 0.819 225 L CB 2.057 44.055 42.059 -0.102 0.000 1.284 225 L HN 0.315 nan 8.230 nan 0.000 0.418 226 S N 0.425 116.070 115.700 -0.093 0.000 2.790 226 S HA 0.396 4.866 4.470 -0.000 0.000 0.202 226 S C -0.332 174.166 174.600 -0.170 0.000 1.383 226 S CA -0.892 57.245 58.200 -0.106 0.000 1.026 226 S CB -0.473 62.689 63.200 -0.063 0.000 1.253 226 S HN 0.491 nan 8.310 nan 0.000 0.489 227 N N 4.003 122.541 118.700 -0.270 0.000 2.434 227 N HA 0.374 5.113 4.740 -0.000 0.000 0.272 227 N C -1.454 173.758 175.510 -0.498 0.000 1.040 227 N CA -1.892 50.863 53.050 -0.492 0.000 0.956 227 N CB 1.355 39.347 38.487 -0.823 0.000 1.108 227 N HN 0.313 nan 8.380 nan 0.000 0.481 228 P HA 0.052 nan 4.420 nan 0.000 0.241 228 P C -0.556 176.374 177.300 -0.618 0.000 1.191 228 P CA 0.464 63.181 63.100 -0.638 0.000 0.771 228 P CB 0.053 31.181 31.700 -0.954 0.000 0.929 229 F N -0.315 119.336 119.950 -0.498 0.000 2.611 229 F HA 0.688 5.215 4.527 -0.000 0.000 0.324 229 F C -0.481 175.288 175.800 -0.052 0.000 1.061 229 F CA -1.402 56.465 58.000 -0.221 0.000 0.954 229 F CB 1.092 40.047 39.000 -0.075 0.000 1.301 229 F HN -0.233 nan 8.300 nan 0.000 0.482 230 Q N 1.816 121.773 119.800 0.261 0.000 2.458 230 Q HA 0.728 5.068 4.340 -0.000 0.000 0.282 230 Q C -1.810 174.346 176.000 0.260 0.000 1.106 230 Q CA -1.155 54.764 55.803 0.193 0.000 0.814 230 Q CB 2.907 31.752 28.738 0.178 0.000 1.425 230 Q HN 0.833 nan 8.270 nan 0.000 0.437 231 L N 1.915 123.205 121.223 0.110 0.000 2.307 231 L HA 0.401 4.740 4.340 -0.000 0.000 0.284 231 L C 0.652 177.365 176.870 -0.262 0.000 1.023 231 L CA -0.423 54.398 54.840 -0.030 0.000 0.810 231 L CB 1.182 43.240 42.059 -0.002 0.000 1.231 231 L HN 0.738 nan 8.230 nan 0.000 0.423 232 I N 1.388 121.655 120.570 -0.505 0.000 2.556 232 I HA 0.051 4.220 4.170 -0.000 0.000 0.251 232 I C -0.052 175.475 176.117 -0.984 0.000 1.105 232 I CA 0.839 61.569 61.300 -0.950 0.000 1.436 232 I CB 0.326 37.449 38.000 -1.462 0.000 1.139 232 I HN 0.305 nan 8.210 nan 0.000 0.438 233 F N 1.669 121.280 119.950 -0.565 0.000 2.508 233 F HA 0.494 5.020 4.527 -0.000 0.000 0.325 233 F C 0.010 175.296 175.800 -0.857 0.000 1.090 233 F CA -0.704 56.782 58.000 -0.857 0.000 0.945 233 F CB 1.355 39.569 39.000 -1.310 0.000 1.156 233 F HN -0.021 nan 8.300 nan 0.000 0.463 234 Q N 0.189 119.691 119.800 -0.496 0.000 2.522 234 Q HA 0.422 4.762 4.340 -0.000 0.000 0.285 234 Q C -1.507 174.599 176.000 0.176 0.000 0.982 234 Q CA -1.078 54.655 55.803 -0.117 0.000 0.805 234 Q CB 1.647 30.346 28.738 -0.065 0.000 1.457 234 Q HN 0.456 nan 8.270 nan 0.000 0.394 235 S N 0.228 116.044 115.700 0.194 0.000 2.596 235 S HA 0.370 4.840 4.470 -0.000 0.000 0.298 235 S C 1.068 175.704 174.600 0.060 0.000 1.255 235 S CA 1.325 59.572 58.200 0.077 0.000 1.083 235 S CB 0.045 63.215 63.200 -0.049 0.000 0.837 235 S HN 1.066 nan 8.310 nan 0.000 0.499 236 G N 3.222 112.055 108.800 0.054 0.000 2.259 236 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.217 236 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.217 236 G C -0.054 174.888 174.900 0.070 0.000 1.001 236 G CA -0.006 45.129 45.100 0.058 0.000 0.627 236 G HN 0.785 nan 8.290 nan 0.000 0.501 237 D N 1.332 121.782 120.400 0.083 0.000 2.314 237 D HA 0.403 5.043 4.640 -0.000 0.000 0.252 237 D C 1.940 178.292 176.300 0.087 0.000 1.295 237 D CA 0.852 54.890 54.000 0.064 0.000 0.995 237 D CB -0.227 40.592 40.800 0.033 0.000 1.125 237 D HN 0.677 nan 8.370 nan 0.000 0.537 238 S N -2.243 113.490 115.700 0.055 0.000 2.474 238 S HA -0.175 4.295 4.470 -0.000 0.000 0.235 238 S C 1.804 176.457 174.600 0.088 0.000 0.997 238 S CA 1.211 59.445 58.200 0.057 0.000 0.949 238 S CB -1.339 61.861 63.200 0.001 0.000 0.766 238 S HN 0.732 nan 8.310 nan 0.000 0.517 239 T N -1.875 112.737 114.554 0.097 0.000 2.951 239 T HA -0.029 4.320 4.350 -0.000 0.000 0.268 239 T C 1.045 175.989 174.700 0.406 0.000 1.073 239 T CA 0.979 63.230 62.100 0.252 0.000 1.134 239 T CB -0.566 68.455 68.868 0.255 0.000 0.884 239 T HN 0.271 nan 8.240 nan 0.000 0.479 240 Q N -0.236 119.706 119.800 0.238 0.000 2.406 240 Q HA -0.161 4.179 4.340 -0.000 0.000 0.236 240 Q C 0.308 176.340 176.000 0.054 0.000 0.799 240 Q CA 0.964 56.882 55.803 0.193 0.000 1.286 240 Q CB -2.347 26.550 28.738 0.265 0.000 1.615 240 Q HN 0.944 nan 8.270 nan 0.000 0.621 241 A N 0.632 123.262 122.820 -0.317 0.000 2.316 241 A HA 0.490 4.809 4.320 -0.000 0.000 0.284 241 A C 0.977 178.118 177.584 -0.739 0.000 1.115 241 A CA 0.228 51.711 52.037 -0.924 0.000 0.812 241 A CB 0.465 18.515 19.000 -1.584 0.000 1.064 241 A HN 0.181 nan 8.150 nan 0.000 0.489 242 N N -0.554 117.675 118.700 -0.786 0.000 2.254 242 N HA 0.143 4.883 4.740 -0.000 0.000 0.190 242 N C -1.156 173.576 175.510 -1.297 0.000 1.107 242 N CA 0.495 52.973 53.050 -0.953 0.000 0.869 242 N CB 0.003 37.810 38.487 -1.133 0.000 0.983 242 N HN 0.630 nan 8.380 nan 0.000 0.487 243 Y N -1.163 118.714 120.300 -0.704 0.000 2.524 243 Y HA 0.537 5.087 4.550 -0.000 0.000 0.347 243 Y C -1.126 174.194 175.900 -0.967 0.000 1.005 243 Y CA -1.083 56.663 58.100 -0.590 0.000 1.025 243 Y CB 1.274 39.486 38.460 -0.413 0.000 1.275 243 Y HN -0.282 nan 8.280 nan 0.000 0.460 244 F N 1.199 121.104 119.950 -0.073 0.000 2.581 244 F HA 0.748 5.274 4.527 -0.000 0.000 0.311 244 F C -0.255 175.491 175.800 -0.091 0.000 1.113 244 F CA -0.997 56.922 58.000 -0.135 0.000 0.935 244 F CB 2.265 41.169 39.000 -0.161 0.000 1.232 244 F HN 0.270 nan 8.300 nan 0.000 0.445 245 R N 2.147 122.680 120.500 0.055 0.000 2.799 245 R HA 0.653 4.993 4.340 -0.000 0.000 0.270 245 R C -1.340 174.972 176.300 0.021 0.000 1.010 245 R CA -1.044 55.073 56.100 0.029 0.000 0.916 245 R CB 2.388 32.665 30.300 -0.037 0.000 1.228 245 R HN 0.649 nan 8.270 nan 0.000 0.469 246 I N -0.423 120.175 120.570 0.046 0.000 6.738 246 I HA -0.138 4.032 4.170 -0.000 0.000 0.126 246 I C -2.424 173.779 176.117 0.145 0.000 1.829 246 I CA -0.390 61.001 61.300 0.150 0.000 2.040 246 I CB -2.274 35.805 38.000 0.131 0.000 3.535 246 I HN 0.460 nan 8.210 nan 0.000 0.170 247 P HA 0.390 nan 4.420 nan 0.000 0.274 247 P C 0.298 177.715 177.300 0.194 0.000 1.231 247 P CA 0.364 63.555 63.100 0.152 0.000 0.790 247 P CB 1.320 33.120 31.700 0.167 0.000 0.951 248 T N -0.610 114.066 114.554 0.203 0.000 2.906 248 T HA 0.795 5.145 4.350 -0.000 0.000 0.295 248 T C -0.843 174.031 174.700 0.290 0.000 1.075 248 T CA -0.798 61.451 62.100 0.248 0.000 1.005 248 T CB 0.967 69.982 68.868 0.245 0.000 1.136 248 T HN 0.241 nan 8.240 nan 0.000 0.498 249 L N 1.349 122.770 121.223 0.331 0.000 2.472 249 L HA 0.667 5.007 4.340 -0.000 0.000 0.260 249 L C -1.801 175.325 176.870 0.427 0.000 0.963 249 L CA -1.034 54.032 54.840 0.376 0.000 0.829 249 L CB 2.652 44.934 42.059 0.371 0.000 1.348 249 L HN 0.887 nan 8.230 nan 0.000 0.408 250 Y N 0.303 120.775 120.300 0.286 0.000 2.442 250 Y HA 0.363 4.912 4.550 -0.000 0.000 0.330 250 Y C -0.640 175.391 175.900 0.219 0.000 1.100 250 Y CA -0.516 57.731 58.100 0.244 0.000 1.034 250 Y CB 2.282 40.886 38.460 0.240 0.000 1.285 250 Y HN 0.457 nan 8.280 nan 0.000 0.440 251 T N 6.907 121.494 114.554 0.055 0.000 2.727 251 T HA 0.432 4.782 4.350 -0.000 0.000 0.298 251 T C 0.006 174.826 174.700 0.201 0.000 0.942 251 T CA -0.383 61.786 62.100 0.115 0.000 0.997 251 T CB -0.136 68.750 68.868 0.029 0.000 0.917 251 T HN 0.405 nan 8.240 nan 0.000 0.487 252 L N 2.159 123.537 121.223 0.258 0.000 2.475 252 L HA 0.259 4.599 4.340 -0.000 0.000 0.253 252 L C 2.058 178.999 176.870 0.119 0.000 1.198 252 L CA -0.637 54.340 54.840 0.230 0.000 0.814 252 L CB 0.320 42.471 42.059 0.154 0.000 1.134 252 L HN 0.688 nan 8.230 nan 0.000 0.478 253 S N -1.286 114.472 115.700 0.097 0.000 2.428 253 S HA -0.152 4.318 4.470 -0.000 0.000 0.230 253 S C 1.804 176.417 174.600 0.021 0.000 1.014 253 S CA 0.761 58.994 58.200 0.055 0.000 0.957 253 S CB -0.488 62.743 63.200 0.052 0.000 0.784 253 S HN 0.797 nan 8.310 nan 0.000 0.499 254 S N 0.938 116.643 115.700 0.008 0.000 2.474 254 S HA 0.317 4.787 4.470 -0.000 0.000 0.235 254 S C 1.729 176.314 174.600 -0.025 0.000 0.997 254 S CA 0.911 59.101 58.200 -0.018 0.000 0.949 254 S CB -0.708 62.469 63.200 -0.039 0.000 0.766 254 S HN 1.427 nan 8.310 nan 0.000 0.517 255 G N 0.967 109.759 108.800 -0.013 0.000 2.231 255 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.206 255 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.206 255 G C 0.142 175.024 174.900 -0.030 0.000 0.996 255 G CA -0.104 44.979 45.100 -0.027 0.000 0.645 255 G HN 0.718 nan 8.290 nan 0.000 0.498 256 R N 0.849 121.334 120.500 -0.025 0.000 2.570 256 R HA 0.443 4.783 4.340 -0.000 0.000 0.277 256 R C 0.062 176.388 176.300 0.042 0.000 1.039 256 R CA 0.177 56.264 56.100 -0.023 0.000 1.065 256 R CB 0.482 30.749 30.300 -0.055 0.000 0.964 256 R HN 0.131 nan 8.270 nan 0.000 0.428 257 V N 6.161 126.088 119.914 0.021 0.000 2.427 257 V HA 0.357 4.477 4.120 -0.000 0.000 0.286 257 V C -0.363 175.903 176.094 0.286 0.000 1.034 257 V CA -0.887 61.498 62.300 0.142 0.000 0.893 257 V CB 1.229 33.113 31.823 0.100 0.000 0.982 257 V HN 0.603 nan 8.190 nan 0.000 0.452 258 L N 3.755 125.229 121.223 0.419 0.000 2.346 258 L HA 0.804 5.143 4.340 -0.000 0.000 0.276 258 L C -0.108 177.076 176.870 0.523 0.000 1.006 258 L CA 0.310 55.450 54.840 0.501 0.000 0.817 258 L CB 2.156 44.468 42.059 0.422 0.000 1.272 258 L HN 0.710 nan 8.230 nan 0.000 0.421 259 S N 2.171 118.174 115.700 0.505 0.000 2.500 259 S HA 0.842 5.312 4.470 -0.000 0.000 0.301 259 S C -0.708 174.151 174.600 0.433 0.000 1.092 259 S CA -0.259 58.175 58.200 0.389 0.000 1.030 259 S CB 0.959 64.260 63.200 0.169 0.000 1.031 259 S HN 0.899 nan 8.310 nan 0.000 0.483 260 S N 4.503 120.395 115.700 0.319 0.000 2.648 260 S HA 0.886 5.355 4.470 -0.000 0.000 0.305 260 S C -0.615 173.989 174.600 0.007 0.000 1.094 260 S CA -0.674 57.630 58.200 0.174 0.000 0.983 260 S CB 1.344 64.594 63.200 0.083 0.000 1.101 260 S HN 0.800 nan 8.310 nan 0.000 0.514 261 I N 0.132 120.582 120.570 -0.199 0.000 2.947 261 I HA 0.284 4.454 4.170 -0.000 0.000 0.301 261 I C -1.833 174.172 176.117 -0.185 0.000 1.453 261 I CA -0.745 60.388 61.300 -0.278 0.000 0.984 261 I CB 2.317 39.887 38.000 -0.717 0.000 1.333 261 I HN 0.644 nan 8.210 nan 0.000 0.475 262 D N 4.544 124.889 120.400 -0.091 0.000 2.358 262 D HA 0.363 5.003 4.640 -0.000 0.000 0.258 262 D C -0.033 176.222 176.300 -0.074 0.000 1.223 262 D CA 0.295 54.263 54.000 -0.054 0.000 0.886 262 D CB 1.320 42.097 40.800 -0.038 0.000 1.120 262 D HN 0.505 nan 8.370 nan 0.000 0.482 263 A N 4.592 127.376 122.820 -0.061 0.000 2.415 263 A HA 0.296 4.616 4.320 -0.000 0.000 0.309 263 A C 0.277 177.653 177.584 -0.347 0.000 1.356 263 A CA -0.501 51.394 52.037 -0.237 0.000 0.998 263 A CB 0.113 19.122 19.000 0.016 0.000 1.145 263 A HN 0.426 nan 8.150 nan 0.000 0.545 264 R N 2.387 122.577 120.500 -0.517 0.000 2.265 264 R HA 0.376 4.716 4.340 -0.000 0.000 0.328 264 R C -0.617 175.454 176.300 -0.381 0.000 0.969 264 R CA -0.220 55.695 56.100 -0.309 0.000 0.832 264 R CB 0.887 31.051 30.300 -0.227 0.000 1.139 264 R HN 0.840 nan 8.270 nan 0.000 0.457 265 Y N 0.372 120.555 120.300 -0.195 0.000 2.389 265 Y HA 0.120 4.670 4.550 -0.000 0.000 0.292 265 Y C 2.059 177.777 175.900 -0.303 0.000 1.117 265 Y CA 0.279 58.288 58.100 -0.152 0.000 1.195 265 Y CB 0.536 38.949 38.460 -0.077 0.000 1.076 265 Y HN 0.687 nan 8.280 nan 0.000 0.548 266 G N 0.499 109.033 108.800 -0.445 0.000 3.717 266 G HA2 0.443 4.403 3.960 -0.000 0.000 0.258 266 G HA3 0.443 4.403 3.960 -0.000 0.000 0.258 266 G C 0.679 174.464 174.900 -1.858 0.000 1.088 266 G CA 0.303 44.633 45.100 -1.283 0.000 1.737 266 G HN 0.582 nan 8.290 nan 0.000 0.648 267 G N 0.766 108.538 108.800 -1.713 0.000 2.598 267 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.244 267 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.244 267 G C 1.133 175.415 174.900 -1.030 0.000 1.302 267 G CA 0.640 44.631 45.100 -1.847 0.000 0.903 267 G HN 1.172 nan 8.290 nan 0.000 0.575 268 T N -2.251 111.932 114.554 -0.618 0.000 3.129 268 T HA 0.224 4.573 4.350 -0.000 0.000 0.251 268 T C 0.952 175.495 174.700 -0.261 0.000 1.117 268 T CA 0.904 62.797 62.100 -0.345 0.000 1.034 268 T CB -0.180 68.573 68.868 -0.192 0.000 0.968 268 T HN 0.727 nan 8.240 nan 0.000 0.526 269 H N 2.986 121.931 119.070 -0.210 0.000 3.064 269 H HA 0.144 4.699 4.556 -0.000 0.000 0.329 269 H C 0.206 175.434 175.328 -0.167 0.000 1.020 269 H CA -0.043 55.901 56.048 -0.173 0.000 1.402 269 H CB 0.167 29.826 29.762 -0.172 0.000 1.379 269 H HN 0.333 nan 8.280 nan 0.000 0.594 270 D N 0.785 121.183 120.400 -0.004 0.000 2.346 270 D HA -0.035 4.605 4.640 -0.000 0.000 0.236 270 D C 0.356 176.627 176.300 -0.049 0.000 1.259 270 D CA 0.040 54.012 54.000 -0.046 0.000 0.898 270 D CB 0.470 41.233 40.800 -0.061 0.000 1.178 270 D HN 0.351 nan 8.370 nan 0.000 0.457 271 S N 0.113 115.782 115.700 -0.052 0.000 2.558 271 S HA -0.023 4.446 4.470 -0.000 0.000 0.291 271 S C 0.365 174.922 174.600 -0.072 0.000 1.306 271 S CA -0.151 58.012 58.200 -0.062 0.000 1.056 271 S CB 0.118 63.294 63.200 -0.041 0.000 0.836 271 S HN 0.291 nan 8.310 nan 0.000 0.504 272 K N 1.289 121.637 120.400 -0.088 0.000 2.368 272 K HA 0.489 4.809 4.320 -0.000 0.000 0.282 272 K C 0.042 176.568 176.600 -0.123 0.000 1.035 272 K CA -0.272 55.953 56.287 -0.104 0.000 0.973 272 K CB 0.759 33.194 32.500 -0.109 0.000 0.957 272 K HN 0.353 nan 8.250 nan 0.000 0.474 273 S N 1.304 116.917 115.700 -0.145 0.000 2.694 273 S HA 0.221 4.691 4.470 -0.000 0.000 0.273 273 S C -1.945 172.533 174.600 -0.204 0.000 1.180 273 S CA -1.043 57.059 58.200 -0.163 0.000 0.864 273 S CB 1.039 64.165 63.200 -0.124 0.000 1.198 273 S HN 0.736 nan 8.310 nan 0.000 0.499 274 K N 1.638 121.933 120.400 -0.176 0.000 2.240 274 K HA 0.755 5.075 4.320 -0.000 0.000 0.271 274 K C -1.496 175.144 176.600 0.066 0.000 1.018 274 K CA -0.323 55.886 56.287 -0.130 0.000 0.874 274 K CB 0.293 32.679 32.500 -0.190 0.000 1.098 274 K HN 0.530 nan 8.250 nan 0.000 0.458 275 I N 3.011 123.641 120.570 0.101 0.000 2.752 275 I HA 0.316 4.486 4.170 -0.000 0.000 0.295 275 I C -1.042 175.223 176.117 0.246 0.000 1.219 275 I CA -1.085 60.333 61.300 0.197 0.000 1.030 275 I CB 2.415 40.462 38.000 0.079 0.000 1.259 275 I HN 0.580 nan 8.210 nan 0.000 0.423 276 N N 4.320 123.191 118.700 0.286 0.000 2.312 276 N HA 0.548 5.288 4.740 -0.000 0.000 0.296 276 N C -1.180 174.401 175.510 0.119 0.000 1.193 276 N CA -0.617 52.552 53.050 0.198 0.000 0.773 276 N CB 2.366 40.941 38.487 0.146 0.000 1.435 276 N HN 0.307 nan 8.380 nan 0.000 0.484 277 I N 1.319 121.852 120.570 -0.062 0.000 2.301 277 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 277 I C 0.546 176.665 176.117 0.004 0.000 1.046 277 I CA -0.910 60.322 61.300 -0.112 0.000 1.282 277 I CB -0.354 37.463 38.000 -0.305 0.000 1.409 277 I HN 0.427 nan 8.210 nan 0.000 0.484 278 A N 5.631 128.453 122.820 0.004 0.000 2.320 278 A HA 0.892 5.212 4.320 -0.000 0.000 0.334 278 A C 0.230 177.857 177.584 0.072 0.000 1.147 278 A CA -0.340 51.712 52.037 0.024 0.000 0.820 278 A CB 1.158 20.154 19.000 -0.006 0.000 1.218 278 A HN 0.737 nan 8.150 nan 0.000 0.482 279 T N -1.744 112.981 114.554 0.285 0.000 2.901 279 T HA 0.812 5.162 4.350 -0.000 0.000 0.293 279 T C -0.379 174.594 174.700 0.455 0.000 1.084 279 T CA -0.302 62.079 62.100 0.468 0.000 1.008 279 T CB 1.588 70.797 68.868 0.568 0.000 1.170 279 T HN 1.668 nan 8.240 nan 0.000 0.509 280 S N 0.346 116.274 115.700 0.379 0.000 2.552 280 S HA 0.690 5.160 4.470 -0.000 0.000 0.272 280 S C -2.064 172.748 174.600 0.353 0.000 1.150 280 S CA -0.929 57.333 58.200 0.104 0.000 0.849 280 S CB 0.963 63.981 63.200 -0.303 0.000 1.113 280 S HN 1.136 nan 8.310 nan 0.000 0.458 281 Y N -0.088 120.399 120.300 0.312 0.000 2.609 281 Y HA 0.868 5.417 4.550 -0.000 0.000 0.342 281 Y C -0.383 175.418 175.900 -0.164 0.000 1.058 281 Y CA -1.117 57.096 58.100 0.187 0.000 1.055 281 Y CB 1.375 39.882 38.460 0.077 0.000 1.292 281 Y HN 0.552 nan 8.280 nan 0.000 0.476 282 S N 0.417 115.879 115.700 -0.396 0.000 2.594 282 S HA 0.361 4.831 4.470 -0.000 0.000 0.296 282 S C -0.955 173.445 174.600 -0.334 0.000 1.124 282 S CA -0.641 57.094 58.200 -0.774 0.000 1.011 282 S CB 0.790 62.905 63.200 -1.807 0.000 1.016 282 S HN 0.761 nan 8.310 nan 0.000 0.485 283 D N 2.786 123.063 120.400 -0.205 0.000 2.368 283 D HA 0.147 4.787 4.640 -0.000 0.000 0.218 283 D C -0.249 175.960 176.300 -0.151 0.000 1.112 283 D CA 0.283 54.208 54.000 -0.124 0.000 0.834 283 D CB 0.478 41.245 40.800 -0.054 0.000 0.953 283 D HN 0.751 nan 8.370 nan 0.000 0.505 284 D N -1.114 119.155 120.400 -0.218 0.000 2.952 284 D HA 0.082 4.722 4.640 -0.000 0.000 0.373 284 D C -0.262 175.924 176.300 -0.190 0.000 1.360 284 D CA -0.755 53.138 54.000 -0.179 0.000 0.788 284 D CB -1.033 39.674 40.800 -0.155 0.000 1.192 284 D HN -0.178 nan 8.370 nan 0.000 0.462 285 N N 0.070 118.657 118.700 -0.188 0.000 2.741 285 N HA -0.159 4.581 4.740 -0.000 0.000 0.250 285 N C 1.099 176.554 175.510 -0.093 0.000 1.115 285 N CA 0.857 53.825 53.050 -0.135 0.000 0.724 285 N CB -0.999 37.402 38.487 -0.143 0.000 1.090 285 N HN 0.650 nan 8.380 nan 0.000 0.558 286 G N -1.058 107.579 108.800 -0.273 0.000 2.195 286 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.246 286 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.246 286 G C 0.860 175.682 174.900 -0.130 0.000 0.984 286 G CA 0.738 45.694 45.100 -0.240 0.000 0.633 286 G HN 0.444 nan 8.290 nan 0.000 0.525 287 K N 0.342 120.657 120.400 -0.141 0.000 2.026 287 K HA 0.051 4.371 4.320 -0.000 0.000 0.208 287 K C 1.501 178.052 176.600 -0.082 0.000 1.048 287 K CA 1.741 57.996 56.287 -0.054 0.000 0.929 287 K CB -0.178 32.284 32.500 -0.064 0.000 0.713 287 K HN 0.682 nan 8.250 nan 0.000 0.439 288 T N -2.392 112.017 114.554 -0.241 0.000 2.893 288 T HA 0.484 4.834 4.350 -0.000 0.000 0.291 288 T C -1.230 173.198 174.700 -0.455 0.000 1.028 288 T CA -0.979 61.003 62.100 -0.196 0.000 0.995 288 T CB 1.203 69.991 68.868 -0.134 0.000 1.051 288 T HN 0.108 nan 8.240 nan 0.000 0.470 289 W N 1.411 122.583 121.300 -0.214 0.000 2.761 289 W HA 0.601 5.261 4.660 -0.000 0.000 0.340 289 W C 0.546 176.872 176.519 -0.322 0.000 1.072 289 W CA -0.748 56.421 57.345 -0.295 0.000 1.215 289 W CB 1.760 30.993 29.460 -0.378 0.000 1.420 289 W HN 0.968 nan 8.180 nan 0.000 0.519 290 S N 0.199 115.749 115.700 -0.250 0.000 2.579 290 S HA 0.156 4.625 4.470 -0.000 0.000 0.275 290 S C 0.020 174.469 174.600 -0.251 0.000 1.345 290 S CA -0.679 57.308 58.200 -0.354 0.000 1.031 290 S CB 1.098 63.793 63.200 -0.842 0.000 0.892 290 S HN 0.487 nan 8.310 nan 0.000 0.529 291 E N 2.067 122.160 120.200 -0.177 0.000 2.480 291 E HA 0.185 4.535 4.350 -0.000 0.000 0.258 291 E C -2.340 174.182 176.600 -0.130 0.000 0.984 291 E CA -1.233 55.089 56.400 -0.130 0.000 0.930 291 E CB -0.154 29.502 29.700 -0.072 0.000 0.936 291 E HN 0.409 nan 8.360 nan 0.000 0.466 292 P HA -0.023 nan 4.420 nan 0.000 0.264 292 P C -0.600 176.650 177.300 -0.083 0.000 1.179 292 P CA 0.582 63.661 63.100 -0.034 0.000 0.763 292 P CB 0.246 31.997 31.700 0.084 0.000 0.806 293 I N -1.729 118.823 120.570 -0.029 0.000 3.264 293 I HA 0.586 4.755 4.170 -0.000 0.000 0.309 293 I C -0.630 175.379 176.117 -0.180 0.000 1.099 293 I CA -1.315 59.928 61.300 -0.095 0.000 0.989 293 I CB 1.241 39.326 38.000 0.141 0.000 1.250 293 I HN -0.045 nan 8.210 nan 0.000 0.478 294 F N 0.620 120.687 119.950 0.195 0.000 2.399 294 F HA 0.669 5.196 4.527 -0.000 0.000 0.334 294 F C 1.022 176.848 175.800 0.045 0.000 1.097 294 F CA -0.228 57.825 58.000 0.088 0.000 1.076 294 F CB 1.762 40.796 39.000 0.056 0.000 1.162 294 F HN 0.593 nan 8.300 nan 0.000 0.495 295 A N 3.059 125.838 122.820 -0.069 0.000 1.963 295 A HA 0.410 4.730 4.320 -0.000 0.000 0.207 295 A C 0.338 177.663 177.584 -0.433 0.000 1.243 295 A CA 0.550 52.223 52.037 -0.606 0.000 0.728 295 A CB 0.172 18.495 19.000 -1.127 0.000 0.895 295 A HN 0.648 nan 8.150 nan 0.000 0.467 296 M N 0.611 119.881 119.600 -0.550 0.000 2.327 296 M HA 0.397 4.876 4.480 -0.000 0.000 0.298 296 M C -1.199 174.564 176.300 -0.896 0.000 1.065 296 M CA -0.480 54.231 55.300 -0.983 0.000 0.916 296 M CB 2.450 33.853 32.600 -1.995 0.000 1.630 296 M HN 0.356 nan 8.290 nan 0.000 0.442 297 K N 1.292 121.337 120.400 -0.592 0.000 2.508 297 K HA 0.802 5.122 4.320 -0.000 0.000 0.260 297 K C -1.987 174.601 176.600 -0.020 0.000 0.949 297 K CA -0.739 55.360 56.287 -0.312 0.000 0.834 297 K CB 2.278 34.501 32.500 -0.461 0.000 1.365 297 K HN 0.382 nan 8.250 nan 0.000 0.437 298 F N 0.678 120.738 119.950 0.183 0.000 2.546 298 F HA 0.404 4.931 4.527 -0.000 0.000 0.320 298 F C 0.127 175.947 175.800 0.034 0.000 1.076 298 F CA -1.249 56.878 58.000 0.212 0.000 0.928 298 F CB 2.321 41.418 39.000 0.162 0.000 1.189 298 F HN 0.729 nan 8.300 nan 0.000 0.465 299 N N 0.393 119.286 118.700 0.321 0.000 2.238 299 N HA 0.002 4.742 4.740 -0.000 0.000 0.235 299 N C 0.479 175.955 175.510 -0.057 0.000 1.209 299 N CA -0.023 53.091 53.050 0.108 0.000 0.879 299 N CB 0.516 39.103 38.487 0.166 0.000 1.136 299 N HN 0.506 nan 8.380 nan 0.000 0.517 300 D N 0.159 120.312 120.400 -0.412 0.000 2.178 300 D HA -0.179 4.461 4.640 -0.000 0.000 0.202 300 D C -0.174 176.150 176.300 0.040 0.000 0.974 300 D CA 1.295 54.990 54.000 -0.509 0.000 0.841 300 D CB -0.064 40.053 40.800 -1.139 0.000 0.953 300 D HN 0.179 nan 8.370 nan 0.000 0.478 301 Y N 0.653 120.848 120.300 -0.176 0.000 2.409 301 Y HA 0.274 4.823 4.550 -0.000 0.000 0.343 301 Y C 0.437 176.267 175.900 -0.116 0.000 0.973 301 Y CA -1.739 56.312 58.100 -0.082 0.000 1.064 301 Y CB 1.325 39.721 38.460 -0.107 0.000 1.207 301 Y HN -0.179 nan 8.280 nan 0.000 0.452 302 E N 2.074 122.296 120.200 0.037 0.000 2.481 302 E HA -0.043 4.307 4.350 -0.000 0.000 0.263 302 E C -0.847 175.714 176.600 -0.065 0.000 0.992 302 E CA -0.043 56.355 56.400 -0.002 0.000 0.938 302 E CB 0.549 30.260 29.700 0.019 0.000 0.933 302 E HN 0.622 nan 8.360 nan 0.000 0.453 303 E N 3.597 123.746 120.200 -0.085 0.000 2.104 303 E HA 0.039 4.389 4.350 -0.000 0.000 0.278 303 E C -0.796 175.884 176.600 0.134 0.000 1.127 303 E CA 0.179 56.515 56.400 -0.107 0.000 0.897 303 E CB 0.675 30.414 29.700 0.064 0.000 1.043 303 E HN 0.324 nan 8.360 nan 0.000 0.410 304 Q N 2.507 122.439 119.800 0.220 0.000 2.330 304 Q HA 0.329 4.669 4.340 -0.000 0.000 0.269 304 Q C -0.699 175.460 176.000 0.265 0.000 1.022 304 Q CA -0.688 55.255 55.803 0.234 0.000 0.796 304 Q CB 2.276 31.137 28.738 0.205 0.000 1.271 304 Q HN 0.480 nan 8.270 nan 0.000 0.450 305 L N 3.807 125.114 121.223 0.140 0.000 2.407 305 L HA 0.236 4.576 4.340 -0.000 0.000 0.282 305 L C -1.064 175.799 176.870 -0.012 0.000 1.110 305 L CA -0.340 54.491 54.840 -0.016 0.000 0.863 305 L CB 0.295 42.315 42.059 -0.066 0.000 1.207 305 L HN 0.396 nan 8.230 nan 0.000 0.454 306 V N 4.376 124.312 119.914 0.037 0.000 2.581 306 V HA 0.278 4.397 4.120 -0.000 0.000 0.303 306 V C -0.771 175.352 176.094 0.047 0.000 1.041 306 V CA -0.693 61.719 62.300 0.187 0.000 0.907 306 V CB 1.628 33.780 31.823 0.548 0.000 0.994 306 V HN 0.365 nan 8.190 nan 0.000 0.442 307 Y N 2.268 122.715 120.300 0.244 0.000 2.518 307 Y HA 0.255 4.805 4.550 -0.000 0.000 0.344 307 Y C 0.350 176.343 175.900 0.155 0.000 0.982 307 Y CA -0.175 58.057 58.100 0.220 0.000 1.234 307 Y CB 0.591 39.101 38.460 0.083 0.000 1.114 307 Y HN 0.615 nan 8.280 nan 0.000 0.515 308 W N 5.724 127.062 121.300 0.063 0.000 2.216 308 W HA 0.116 4.776 4.660 -0.000 0.000 0.326 308 W C -1.931 174.457 176.519 -0.218 0.000 1.319 308 W CA -1.479 55.686 57.345 -0.299 0.000 1.213 308 W CB 0.874 29.941 29.460 -0.656 0.000 1.171 308 W HN 0.408 nan 8.180 nan 0.000 0.557 309 P HA -0.244 nan 4.420 nan 0.000 0.044 309 P C 0.006 177.328 177.300 0.036 0.000 0.733 309 P CA 1.246 64.134 63.100 -0.353 0.000 1.035 309 P CB -0.174 31.013 31.700 -0.855 0.000 1.855 310 R N 0.804 121.340 120.500 0.060 0.000 2.365 310 R HA 0.043 4.383 4.340 -0.000 0.000 0.223 310 R C 0.943 177.278 176.300 0.058 0.000 0.899 310 R CA -0.126 56.045 56.100 0.118 0.000 1.059 310 R CB 0.262 30.627 30.300 0.109 0.000 1.086 310 R HN 0.517 nan 8.270 nan 0.000 0.522 311 D N 0.163 120.577 120.400 0.023 0.000 2.344 311 D HA -0.003 4.637 4.640 -0.000 0.000 0.244 311 D C 0.194 176.509 176.300 0.025 0.000 1.134 311 D CA -0.341 53.669 54.000 0.016 0.000 0.930 311 D CB 0.766 41.565 40.800 -0.001 0.000 1.175 311 D HN -0.237 nan 8.370 nan 0.000 0.437 312 N N 0.517 119.228 118.700 0.019 0.000 2.309 312 N HA -0.147 4.593 4.740 -0.000 0.000 0.182 312 N C 1.492 177.016 175.510 0.023 0.000 1.018 312 N CA 0.686 53.748 53.050 0.020 0.000 0.876 312 N CB -0.191 38.303 38.487 0.010 0.000 0.972 312 N HN 0.603 nan 8.380 nan 0.000 0.434 313 K N 0.551 120.962 120.400 0.018 0.000 2.228 313 K HA 0.087 4.407 4.320 -0.000 0.000 0.202 313 K C 1.315 177.935 176.600 0.033 0.000 1.051 313 K CA 0.603 56.902 56.287 0.020 0.000 0.960 313 K CB 0.245 32.753 32.500 0.014 0.000 0.743 313 K HN 0.110 nan 8.250 nan 0.000 0.458 314 L N 0.596 121.838 121.223 0.030 0.000 2.817 314 L HA 0.112 4.452 4.340 -0.000 0.000 0.248 314 L C 1.839 178.761 176.870 0.086 0.000 1.133 314 L CA -0.063 54.797 54.840 0.034 0.000 0.935 314 L CB 0.259 42.287 42.059 -0.052 0.000 1.266 314 L HN 0.129 nan 8.230 nan 0.000 0.535 315 K N -0.617 119.869 120.400 0.144 0.000 2.148 315 K HA -0.099 4.220 4.320 -0.000 0.000 0.204 315 K C 1.015 177.946 176.600 0.552 0.000 1.050 315 K CA 1.341 57.831 56.287 0.339 0.000 0.942 315 K CB -0.203 32.453 32.500 0.260 0.000 0.724 315 K HN 0.142 nan 8.250 nan 0.000 0.446 316 N N 1.208 120.101 118.700 0.321 0.000 2.521 316 N HA 0.009 4.749 4.740 -0.000 0.000 0.188 316 N C -0.434 175.194 175.510 0.195 0.000 1.146 316 N CA 0.214 53.394 53.050 0.217 0.000 0.893 316 N CB 0.135 38.653 38.487 0.052 0.000 0.975 316 N HN 0.121 nan 8.380 nan 0.000 0.451 317 S N 0.938 116.848 115.700 0.351 0.000 2.563 317 S HA -0.002 4.468 4.470 -0.000 0.000 0.294 317 S C 0.274 175.230 174.600 0.594 0.000 1.279 317 S CA 0.172 58.606 58.200 0.391 0.000 1.069 317 S CB 0.583 64.042 63.200 0.432 0.000 0.828 317 S HN 0.299 nan 8.310 nan 0.000 0.497 318 Q N 2.699 122.698 119.800 0.331 0.000 2.268 318 Q HA 0.359 4.698 4.340 -0.000 0.000 0.266 318 Q C -1.190 174.885 176.000 0.126 0.000 1.006 318 Q CA -0.543 55.377 55.803 0.193 0.000 0.824 318 Q CB 0.956 29.598 28.738 -0.160 0.000 1.306 318 Q HN 0.656 nan 8.270 nan 0.000 0.424 319 I N 2.891 123.528 120.570 0.111 0.000 2.742 319 I HA -0.068 4.102 4.170 -0.000 0.000 0.287 319 I C 0.613 176.646 176.117 -0.141 0.000 1.186 319 I CA 0.636 61.930 61.300 -0.011 0.000 1.417 319 I CB 0.741 38.678 38.000 -0.104 0.000 1.377 319 I HN 0.701 nan 8.210 nan 0.000 0.556 320 S N 3.986 119.596 115.700 -0.150 0.000 2.526 320 S HA 0.129 4.599 4.470 -0.000 0.000 0.220 320 S C 1.511 175.990 174.600 -0.201 0.000 1.017 320 S CA 0.250 58.359 58.200 -0.152 0.000 0.930 320 S CB 0.853 63.994 63.200 -0.098 0.000 0.856 320 S HN 0.908 nan 8.310 nan 0.000 0.497 321 G N 0.763 109.391 108.800 -0.287 0.000 3.324 321 G HA2 0.259 4.219 3.960 -0.000 0.000 0.251 321 G HA3 0.259 4.219 3.960 -0.000 0.000 0.251 321 G C 0.124 174.752 174.900 -0.454 0.000 1.072 321 G CA -0.045 44.884 45.100 -0.285 0.000 0.787 321 G HN 0.355 nan 8.290 nan 0.000 0.537 322 S N 0.226 115.457 115.700 -0.783 0.000 2.541 322 S HA 0.721 5.191 4.470 -0.000 0.000 0.283 322 S C 0.562 174.925 174.600 -0.395 0.000 1.196 322 S CA -0.189 57.510 58.200 -0.834 0.000 1.062 322 S CB 1.184 63.668 63.200 -1.194 0.000 1.009 322 S HN 0.510 nan 8.310 nan 0.000 0.502 323 A N 2.907 125.535 122.820 -0.319 0.000 2.346 323 A HA 0.713 5.033 4.320 -0.000 0.000 0.252 323 A C 0.248 177.773 177.584 -0.098 0.000 1.089 323 A CA -0.089 51.796 52.037 -0.253 0.000 0.797 323 A CB 0.089 18.752 19.000 -0.562 0.000 1.047 323 A HN 1.517 nan 8.150 nan 0.000 0.494 324 S N -0.842 114.829 115.700 -0.048 0.000 2.587 324 S HA 0.740 5.210 4.470 -0.000 0.000 0.269 324 S C -1.081 173.291 174.600 -0.379 0.000 1.154 324 S CA -0.743 57.410 58.200 -0.079 0.000 0.824 324 S CB 0.584 63.744 63.200 -0.067 0.000 1.118 324 S HN 0.540 nan 8.310 nan 0.000 0.462 325 F N 0.779 120.683 119.950 -0.076 0.000 2.507 325 F HA 0.839 5.366 4.527 -0.000 0.000 0.327 325 F C 0.089 175.832 175.800 -0.095 0.000 1.068 325 F CA -0.880 57.020 58.000 -0.167 0.000 0.965 325 F CB 1.786 40.602 39.000 -0.306 0.000 1.192 325 F HN 0.762 nan 8.300 nan 0.000 0.476 326 I N 1.544 122.169 120.570 0.092 0.000 2.775 326 I HA 0.333 4.503 4.170 -0.000 0.000 0.295 326 I C -1.778 174.376 176.117 0.062 0.000 1.287 326 I CA -0.448 60.886 61.300 0.057 0.000 1.029 326 I CB 1.656 39.677 38.000 0.035 0.000 1.282 326 I HN 0.629 nan 8.210 nan 0.000 0.426 327 D N 4.463 124.903 120.400 0.067 0.000 4.044 327 D HA -0.120 4.520 4.640 -0.000 0.000 0.242 327 D C -0.449 175.885 176.300 0.057 0.000 1.076 327 D CA 1.274 55.333 54.000 0.098 0.000 1.171 327 D CB -0.637 40.249 40.800 0.143 0.000 0.866 327 D HN 0.664 nan 8.370 nan 0.000 0.413 328 S N -0.308 115.417 115.700 0.041 0.000 2.646 328 S HA 0.777 5.247 4.470 -0.000 0.000 0.276 328 S C 0.071 174.713 174.600 0.069 0.000 1.222 328 S CA -0.449 57.748 58.200 -0.004 0.000 1.014 328 S CB 2.715 65.882 63.200 -0.055 0.000 0.991 328 S HN 0.422 nan 8.310 nan 0.000 0.533 329 S N 0.686 116.422 115.700 0.060 0.000 2.536 329 S HA 0.678 5.147 4.470 -0.000 0.000 0.271 329 S C -0.866 173.906 174.600 0.286 0.000 1.134 329 S CA -0.987 57.343 58.200 0.217 0.000 0.897 329 S CB 0.506 63.894 63.200 0.313 0.000 1.094 329 S HN 0.966 nan 8.310 nan 0.000 0.473 330 I N 1.136 121.933 120.570 0.379 0.000 2.785 330 I HA 0.981 5.151 4.170 -0.000 0.000 0.302 330 I C -1.072 175.125 176.117 0.132 0.000 1.069 330 I CA -1.058 60.427 61.300 0.308 0.000 1.045 330 I CB 1.937 40.070 38.000 0.221 0.000 1.236 330 I HN 0.455 nan 8.210 nan 0.000 0.429 331 V N 2.399 122.269 119.914 -0.074 0.000 3.204 331 V HA 0.423 4.543 4.120 -0.000 0.000 0.298 331 V C -1.403 174.469 176.094 -0.370 0.000 1.328 331 V CA -0.346 61.660 62.300 -0.491 0.000 1.035 331 V CB 2.580 34.270 31.823 -0.221 0.000 1.095 331 V HN 0.991 nan 8.190 nan 0.000 0.442 332 E N 1.862 121.845 120.200 -0.362 0.000 2.183 332 E HA 0.487 4.836 4.350 -0.000 0.000 0.271 332 E C -1.440 175.192 176.600 0.054 0.000 0.919 332 E CA -0.601 55.775 56.400 -0.041 0.000 0.781 332 E CB 1.704 31.459 29.700 0.091 0.000 1.140 332 E HN 0.728 nan 8.360 nan 0.000 0.402 333 D N 3.613 124.052 120.400 0.066 0.000 2.317 333 D HA 0.091 4.731 4.640 -0.000 0.000 0.234 333 D C 0.834 177.166 176.300 0.053 0.000 1.112 333 D CA -0.197 53.840 54.000 0.062 0.000 0.840 333 D CB 1.089 41.927 40.800 0.063 0.000 1.078 333 D HN 0.382 nan 8.370 nan 0.000 0.486 334 K N 2.994 123.425 120.400 0.051 0.000 2.032 334 K HA -0.221 4.098 4.320 -0.000 0.000 0.209 334 K C 1.438 178.055 176.600 0.027 0.000 1.048 334 K CA 1.217 57.529 56.287 0.042 0.000 0.927 334 K CB 0.162 32.686 32.500 0.039 0.000 0.712 334 K HN 0.214 nan 8.250 nan 0.000 0.441 335 K N 0.489 120.901 120.400 0.021 0.000 2.001 335 K HA -0.072 4.248 4.320 -0.000 0.000 0.208 335 K C 1.978 178.586 176.600 0.013 0.000 1.048 335 K CA 1.993 58.287 56.287 0.012 0.000 0.932 335 K CB -0.210 32.293 32.500 0.005 0.000 0.715 335 K HN 0.182 nan 8.250 nan 0.000 0.437 336 S N -1.755 113.955 115.700 0.017 0.000 2.501 336 S HA 0.155 4.625 4.470 -0.000 0.000 0.220 336 S C 1.561 176.171 174.600 0.017 0.000 0.997 336 S CA 0.656 58.867 58.200 0.018 0.000 0.919 336 S CB 0.146 63.361 63.200 0.024 0.000 0.778 336 S HN 0.525 nan 8.310 nan 0.000 0.523 337 G N 1.332 110.144 108.800 0.021 0.000 2.212 337 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.266 337 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.266 337 G C 0.106 175.015 174.900 0.015 0.000 0.978 337 G CA 0.443 45.553 45.100 0.015 0.000 0.632 337 G HN 0.621 nan 8.290 nan 0.000 0.537 338 K N 0.977 121.394 120.400 0.029 0.000 2.440 338 K HA 0.371 4.691 4.320 -0.000 0.000 0.270 338 K C 0.111 176.745 176.600 0.057 0.000 0.980 338 K CA 0.951 57.263 56.287 0.042 0.000 0.953 338 K CB 0.271 32.817 32.500 0.077 0.000 0.925 338 K HN 0.159 nan 8.250 nan 0.000 0.497 339 T N 3.185 117.772 114.554 0.056 0.000 2.770 339 T HA 0.431 4.781 4.350 -0.000 0.000 0.283 339 T C -0.015 174.854 174.700 0.282 0.000 0.988 339 T CA -0.597 61.568 62.100 0.108 0.000 0.957 339 T CB 0.401 69.287 68.868 0.030 0.000 0.930 339 T HN 0.306 nan 8.240 nan 0.000 0.443 340 I N 3.669 124.425 120.570 0.310 0.000 2.441 340 I HA 0.561 4.731 4.170 -0.000 0.000 0.295 340 I C -0.617 175.711 176.117 0.352 0.000 0.994 340 I CA -0.940 60.592 61.300 0.386 0.000 1.144 340 I CB 1.844 40.104 38.000 0.434 0.000 1.314 340 I HN 0.363 nan 8.210 nan 0.000 0.445 341 L N 6.942 128.272 121.223 0.178 0.000 2.406 341 L HA 0.589 4.929 4.340 -0.000 0.000 0.272 341 L C -1.709 175.027 176.870 -0.224 0.000 0.980 341 L CA -0.558 54.240 54.840 -0.070 0.000 0.831 341 L CB 1.457 43.282 42.059 -0.389 0.000 1.253 341 L HN 0.430 nan 8.230 nan 0.000 0.406 342 L N 4.565 125.571 121.223 -0.363 0.000 2.322 342 L HA 1.002 5.341 4.340 -0.000 0.000 0.269 342 L C -0.133 176.573 176.870 -0.274 0.000 1.012 342 L CA -0.173 54.424 54.840 -0.406 0.000 0.815 342 L CB 1.867 43.498 42.059 -0.713 0.000 1.295 342 L HN 0.762 nan 8.230 nan 0.000 0.438 343 A N 0.073 122.765 122.820 -0.213 0.000 2.599 343 A HA 0.659 4.978 4.320 -0.000 0.000 0.290 343 A C -1.735 175.810 177.584 -0.064 0.000 1.101 343 A CA -0.772 51.196 52.037 -0.116 0.000 0.674 343 A CB 0.878 19.812 19.000 -0.110 0.000 1.277 343 A HN 0.567 nan 8.150 nan 0.000 0.419 344 D N 0.557 120.953 120.400 -0.007 0.000 2.382 344 D HA 0.443 5.083 4.640 -0.000 0.000 0.245 344 D C -0.329 175.966 176.300 -0.008 0.000 1.120 344 D CA 0.341 54.348 54.000 0.012 0.000 0.890 344 D CB 1.342 42.185 40.800 0.071 0.000 1.201 344 D HN 0.264 nan 8.370 nan 0.000 0.433 345 V N 2.936 122.826 119.914 -0.041 0.000 2.448 345 V HA 0.395 4.515 4.120 -0.000 0.000 0.295 345 V C -0.013 176.076 176.094 -0.008 0.000 1.025 345 V CA -0.751 61.405 62.300 -0.240 0.000 0.859 345 V CB 1.584 33.197 31.823 -0.349 0.000 0.988 345 V HN 0.385 nan 8.190 nan 0.000 0.431 346 M N 5.812 125.362 119.600 -0.083 0.000 2.253 346 M HA 0.505 4.985 4.480 -0.000 0.000 0.314 346 M C -2.879 173.505 176.300 0.140 0.000 1.019 346 M CA -2.341 53.001 55.300 0.069 0.000 0.932 346 M CB 1.851 34.450 32.600 -0.002 0.000 1.606 346 M HN 0.277 nan 8.290 nan 0.000 0.430 347 P HA 0.169 nan 4.420 nan 0.000 0.272 347 P C -0.436 176.896 177.300 0.054 0.000 1.230 347 P CA -0.341 62.918 63.100 0.265 0.000 0.788 347 P CB 0.400 32.222 31.700 0.204 0.000 0.949 348 A N 1.948 124.770 122.820 0.003 0.000 2.591 348 A HA 0.305 4.625 4.320 -0.000 0.000 0.244 348 A C 1.583 179.122 177.584 -0.074 0.000 1.031 348 A CA 0.967 52.961 52.037 -0.072 0.000 0.767 348 A CB -1.784 17.195 19.000 -0.034 0.000 0.942 348 A HN 0.923 nan 8.150 nan 0.000 0.514 349 G N 1.280 110.002 108.800 -0.130 0.000 2.168 349 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.263 349 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.263 349 G C 0.075 174.929 174.900 -0.077 0.000 0.977 349 G CA 0.484 45.516 45.100 -0.114 0.000 0.659 349 G HN 0.818 nan 8.290 nan 0.000 0.533 350 I N 0.506 121.042 120.570 -0.055 0.000 2.525 350 I HA 0.787 4.957 4.170 -0.000 0.000 0.301 350 I C 0.893 176.992 176.117 -0.031 0.000 0.992 350 I CA 0.022 61.304 61.300 -0.030 0.000 1.162 350 I CB 1.132 39.134 38.000 0.003 0.000 1.332 350 I HN 0.258 nan 8.210 nan 0.000 0.458 351 G N 3.298 112.085 108.800 -0.022 0.000 2.870 351 G HA2 0.224 4.184 3.960 -0.000 0.000 0.299 351 G HA3 0.224 4.184 3.960 -0.000 0.000 0.299 351 G C 0.339 175.248 174.900 0.014 0.000 1.324 351 G CA -0.353 44.739 45.100 -0.013 0.000 0.808 351 G HN 0.518 nan 8.290 nan 0.000 0.535 352 N N -0.320 118.379 118.700 -0.002 0.000 2.331 352 N HA -0.095 4.645 4.740 -0.000 0.000 0.180 352 N C 1.267 176.776 175.510 -0.002 0.000 1.019 352 N CA 1.487 54.541 53.050 0.008 0.000 0.881 352 N CB -0.535 37.803 38.487 -0.248 0.000 0.972 352 N HN 0.563 nan 8.380 nan 0.000 0.435 353 N N 0.943 119.624 118.700 -0.032 0.000 2.069 353 N HA -0.155 4.585 4.740 -0.000 0.000 0.191 353 N C 0.765 176.264 175.510 -0.019 0.000 1.031 353 N CA 1.689 54.720 53.050 -0.031 0.000 0.852 353 N CB -0.160 38.295 38.487 -0.053 0.000 1.018 353 N HN 0.513 nan 8.380 nan 0.000 0.423 354 N N 0.270 118.958 118.700 -0.021 0.000 2.236 354 N HA 0.122 4.862 4.740 -0.000 0.000 0.196 354 N C -0.385 175.114 175.510 -0.018 0.000 1.114 354 N CA -0.123 52.915 53.050 -0.020 0.000 0.859 354 N CB -0.048 38.422 38.487 -0.028 0.000 0.982 354 N HN 0.029 nan 8.380 nan 0.000 0.493 355 A N 1.068 123.884 122.820 -0.008 0.000 2.548 355 A HA 0.042 4.362 4.320 -0.000 0.000 0.247 355 A C 0.359 177.911 177.584 -0.053 0.000 1.067 355 A CA -0.261 51.759 52.037 -0.028 0.000 0.757 355 A CB -0.320 18.680 19.000 0.001 0.000 0.996 355 A HN 0.329 nan 8.150 nan 0.000 0.504 356 N N 2.524 121.176 118.700 -0.081 0.000 2.399 356 N HA 0.007 4.747 4.740 -0.000 0.000 0.284 356 N C 0.175 175.607 175.510 -0.129 0.000 1.283 356 N CA 0.491 53.486 53.050 -0.090 0.000 0.972 356 N CB -0.154 38.276 38.487 -0.095 0.000 1.328 356 N HN 0.610 nan 8.380 nan 0.000 0.486 357 K N 1.911 122.243 120.400 -0.113 0.000 2.156 357 K HA 0.281 4.600 4.320 -0.000 0.000 0.242 357 K C 0.950 177.482 176.600 -0.112 0.000 1.033 357 K CA 0.284 56.477 56.287 -0.156 0.000 0.878 357 K CB 0.246 32.673 32.500 -0.122 0.000 1.057 357 K HN 0.446 nan 8.250 nan 0.000 0.505 358 A N -0.053 122.706 122.820 -0.102 0.000 3.396 358 A HA -0.182 4.138 4.320 -0.000 0.000 0.267 358 A C -0.131 177.430 177.584 -0.039 0.000 1.139 358 A CA 1.558 53.572 52.037 -0.038 0.000 1.115 358 A CB -1.576 17.412 19.000 -0.020 0.000 1.133 358 A HN 0.757 nan 8.150 nan 0.000 0.920 359 D N -1.864 118.489 120.400 -0.078 0.000 2.977 359 D HA 0.515 5.155 4.640 -0.000 0.000 0.220 359 D C 0.886 177.131 176.300 -0.091 0.000 1.267 359 D CA 0.438 54.391 54.000 -0.077 0.000 0.884 359 D CB 1.691 42.412 40.800 -0.131 0.000 1.667 359 D HN 0.423 nan 8.370 nan 0.000 0.536 360 S N 1.594 117.294 115.700 0.001 0.000 2.501 360 S HA 0.283 4.753 4.470 -0.000 0.000 0.220 360 S C 1.570 176.252 174.600 0.136 0.000 0.997 360 S CA 0.968 59.211 58.200 0.072 0.000 0.919 360 S CB 0.341 63.653 63.200 0.188 0.000 0.778 360 S HN 0.987 nan 8.310 nan 0.000 0.523 361 G N 0.215 109.020 108.800 0.008 0.000 2.176 361 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.253 361 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.253 361 G C -0.125 174.642 174.900 -0.222 0.000 0.979 361 G CA 0.190 45.234 45.100 -0.094 0.000 0.641 361 G HN 0.529 nan 8.290 nan 0.000 0.530 362 F N 0.545 120.577 119.950 0.136 0.000 2.495 362 F HA 0.625 5.152 4.527 -0.000 0.000 0.327 362 F C 0.437 176.367 175.800 0.215 0.000 1.103 362 F CA -0.950 57.184 58.000 0.223 0.000 0.949 362 F CB 1.955 41.153 39.000 0.329 0.000 1.142 362 F HN -0.002 nan 8.300 nan 0.000 0.457 363 K N 3.171 123.788 120.400 0.361 0.000 2.253 363 K HA 0.138 4.458 4.320 -0.000 0.000 0.277 363 K C -0.255 176.432 176.600 0.146 0.000 1.053 363 K CA -0.452 55.978 56.287 0.238 0.000 0.892 363 K CB 0.808 33.433 32.500 0.208 0.000 1.102 363 K HN 0.648 nan 8.250 nan 0.000 0.469 364 E N 5.391 125.526 120.200 -0.108 0.000 2.316 364 E HA 0.098 4.448 4.350 -0.000 0.000 0.275 364 E C -1.040 175.446 176.600 -0.190 0.000 1.029 364 E CA -0.187 55.892 56.400 -0.536 0.000 0.871 364 E CB 0.638 29.793 29.700 -0.909 0.000 1.022 364 E HN 0.598 nan 8.360 nan 0.000 0.418 365 I N 4.269 124.761 120.570 -0.130 0.000 2.476 365 I HA 0.054 4.224 4.170 -0.000 0.000 0.281 365 I C -0.787 175.370 176.117 0.066 0.000 1.040 365 I CA -0.873 60.454 61.300 0.045 0.000 1.094 365 I CB 1.055 39.183 38.000 0.214 0.000 1.219 365 I HN 0.559 nan 8.210 nan 0.000 0.450 366 N N 4.876 123.579 118.700 0.005 0.000 2.777 366 N HA -0.206 4.534 4.740 -0.000 0.000 0.301 366 N C 0.882 176.293 175.510 -0.165 0.000 1.107 366 N CA 1.064 54.095 53.050 -0.032 0.000 0.790 366 N CB -1.118 37.384 38.487 0.024 0.000 0.980 366 N HN 1.080 nan 8.380 nan 0.000 0.584 367 G N -1.154 107.475 108.800 -0.285 0.000 2.225 367 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.254 367 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.254 367 G C -0.199 174.364 174.900 -0.560 0.000 0.988 367 G CA 0.484 45.338 45.100 -0.409 0.000 0.625 367 G HN 0.909 nan 8.290 nan 0.000 0.527 368 H N -1.056 117.845 119.070 -0.281 0.000 2.533 368 H HA 0.635 5.190 4.556 -0.000 0.000 0.343 368 H C -1.039 173.915 175.328 -0.623 0.000 1.160 368 H CA -0.449 55.371 56.048 -0.380 0.000 1.218 368 H CB 1.350 30.864 29.762 -0.412 0.000 1.566 368 H HN 0.159 nan 8.280 nan 0.000 0.522 369 Y N 1.062 121.121 120.300 -0.402 0.000 2.350 369 Y HA 0.242 4.792 4.550 -0.000 0.000 0.338 369 Y C -0.878 174.877 175.900 -0.241 0.000 0.961 369 Y CA -0.626 57.299 58.100 -0.291 0.000 1.100 369 Y CB 1.150 39.394 38.460 -0.361 0.000 1.179 369 Y HN 0.449 nan 8.280 nan 0.000 0.454 370 Y N 3.046 123.634 120.300 0.480 0.000 2.409 370 Y HA 0.407 4.957 4.550 -0.000 0.000 0.343 370 Y C -0.584 175.549 175.900 0.389 0.000 0.973 370 Y CA -1.445 56.899 58.100 0.407 0.000 1.064 370 Y CB 1.313 39.891 38.460 0.196 0.000 1.207 370 Y HN 0.427 nan 8.280 nan 0.000 0.452 371 L N 4.127 125.556 121.223 0.343 0.000 2.513 371 L HA 0.157 4.497 4.340 -0.000 0.000 0.272 371 L C -0.175 176.709 176.870 0.022 0.000 1.187 371 L CA -0.009 54.740 54.840 -0.150 0.000 0.895 371 L CB -0.037 41.942 42.059 -0.134 0.000 1.147 371 L HN 0.543 nan 8.230 nan 0.000 0.483 372 K N 5.765 126.146 120.400 -0.031 0.000 2.174 372 K HA 0.544 4.864 4.320 -0.000 0.000 0.275 372 K C -1.052 175.705 176.600 0.262 0.000 1.015 372 K CA -0.463 55.908 56.287 0.141 0.000 0.933 372 K CB 0.950 33.493 32.500 0.072 0.000 1.025 372 K HN 0.544 nan 8.250 nan 0.000 0.463 373 L N 2.250 123.718 121.223 0.409 0.000 2.401 373 L HA 0.440 4.780 4.340 -0.000 0.000 0.266 373 L C -0.481 176.566 176.870 0.295 0.000 0.991 373 L CA -0.869 54.195 54.840 0.374 0.000 0.818 373 L CB 2.045 44.247 42.059 0.237 0.000 1.321 373 L HN 0.477 nan 8.230 nan 0.000 0.413 374 K N 3.559 123.867 120.400 -0.154 0.000 2.274 374 K HA 0.371 4.691 4.320 -0.000 0.000 0.262 374 K C -0.951 175.448 176.600 -0.335 0.000 0.961 374 K CA -0.651 55.309 56.287 -0.545 0.000 0.833 374 K CB 1.762 33.438 32.500 -1.373 0.000 1.102 374 K HN 0.482 nan 8.250 nan 0.000 0.436 375 K N 3.053 123.261 120.400 -0.320 0.000 2.110 375 K HA 0.103 4.423 4.320 -0.000 0.000 0.263 375 K C -0.239 176.101 176.600 -0.433 0.000 0.975 375 K CA -0.652 55.250 56.287 -0.640 0.000 0.895 375 K CB 0.841 32.849 32.500 -0.820 0.000 1.060 375 K HN 0.556 nan 8.250 nan 0.000 0.448 376 N N 1.469 119.892 118.700 -0.461 0.000 2.223 376 N HA -0.087 4.653 4.740 -0.000 0.000 0.271 376 N C 0.656 176.038 175.510 -0.214 0.000 1.315 376 N CA 2.040 54.915 53.050 -0.291 0.000 0.835 376 N CB -0.018 38.303 38.487 -0.277 0.000 1.066 376 N HN 0.823 nan 8.380 nan 0.000 0.486 377 G N 2.175 110.883 108.800 -0.153 0.000 2.199 377 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.254 377 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.254 377 G C -0.425 174.417 174.900 -0.095 0.000 0.982 377 G CA 0.238 45.274 45.100 -0.107 0.000 0.632 377 G HN 0.659 nan 8.290 nan 0.000 0.529 378 D N -0.155 120.172 120.400 -0.121 0.000 2.175 378 D HA 0.478 5.118 4.640 -0.000 0.000 0.248 378 D C 1.089 177.321 176.300 -0.113 0.000 1.047 378 D CA -0.708 53.234 54.000 -0.098 0.000 0.883 378 D CB 0.804 41.550 40.800 -0.090 0.000 1.180 378 D HN 0.069 nan 8.370 nan 0.000 0.438 379 N N 0.764 119.420 118.700 -0.074 0.000 2.356 379 N HA -0.021 4.719 4.740 -0.000 0.000 0.178 379 N C -0.294 175.191 175.510 -0.041 0.000 1.075 379 N CA 0.273 53.287 53.050 -0.059 0.000 0.889 379 N CB 0.846 39.317 38.487 -0.026 0.000 0.999 379 N HN 0.552 nan 8.380 nan 0.000 0.464 380 D N -0.755 119.623 120.400 -0.036 0.000 2.414 380 D HA 0.180 4.820 4.640 -0.000 0.000 0.241 380 D C -0.770 175.527 176.300 -0.005 0.000 1.008 380 D CA -0.669 53.359 54.000 0.047 0.000 1.001 380 D CB 0.271 41.114 40.800 0.071 0.000 1.277 380 D HN -0.208 nan 8.370 nan 0.000 0.538 381 F N 0.495 120.470 119.950 0.041 0.000 2.423 381 F HA 0.310 4.837 4.527 -0.000 0.000 0.356 381 F C 1.762 177.601 175.800 0.065 0.000 1.170 381 F CA -0.494 57.551 58.000 0.076 0.000 1.163 381 F CB 0.715 39.754 39.000 0.066 0.000 1.318 381 F HN 0.071 nan 8.300 nan 0.000 0.569 382 R N 1.924 122.511 120.500 0.144 0.000 2.334 382 R HA 0.131 4.471 4.340 -0.000 0.000 0.216 382 R C -0.747 175.408 176.300 -0.242 0.000 0.905 382 R CA 0.229 56.272 56.100 -0.095 0.000 1.064 382 R CB 0.286 30.413 30.300 -0.288 0.000 1.046 382 R HN 0.466 nan 8.270 nan 0.000 0.508 383 Y N -0.380 120.012 120.300 0.153 0.000 2.562 383 Y HA 0.360 4.910 4.550 -0.000 0.000 0.343 383 Y C 0.563 176.555 175.900 0.152 0.000 1.025 383 Y CA -0.915 57.267 58.100 0.137 0.000 1.082 383 Y CB 2.105 40.645 38.460 0.133 0.000 1.264 383 Y HN -0.151 nan 8.280 nan 0.000 0.478 384 T N -2.150 112.582 114.554 0.296 0.000 2.883 384 T HA 0.669 5.019 4.350 -0.000 0.000 0.296 384 T C -1.453 173.325 174.700 0.131 0.000 1.117 384 T CA -0.945 61.280 62.100 0.209 0.000 1.006 384 T CB 1.391 70.367 68.868 0.180 0.000 1.191 384 T HN 0.291 nan 8.240 nan 0.000 0.508 385 V N 3.067 123.046 119.914 0.108 0.000 2.259 385 V HA 0.425 4.545 4.120 -0.000 0.000 0.267 385 V C 0.573 176.679 176.094 0.020 0.000 1.051 385 V CA -0.916 61.419 62.300 0.058 0.000 0.830 385 V CB 0.063 31.936 31.823 0.083 0.000 1.080 385 V HN 0.726 nan 8.190 nan 0.000 0.467 386 R N 2.102 122.509 120.500 -0.154 0.000 2.811 386 R HA 0.359 4.699 4.340 -0.000 0.000 0.237 386 R C 0.256 176.492 176.300 -0.106 0.000 1.231 386 R CA -0.572 55.300 56.100 -0.380 0.000 1.070 386 R CB 0.335 30.352 30.300 -0.472 0.000 1.126 386 R HN 0.566 nan 8.270 nan 0.000 0.540 387 E N 0.875 121.014 120.200 -0.102 0.000 2.383 387 E HA 0.107 4.457 4.350 -0.000 0.000 0.264 387 E C -0.071 176.515 176.600 -0.023 0.000 1.050 387 E CA 0.247 56.642 56.400 -0.008 0.000 0.896 387 E CB 0.082 29.780 29.700 -0.003 0.000 0.982 387 E HN 0.452 nan 8.360 nan 0.000 0.424 388 N N 1.363 120.059 118.700 -0.007 0.000 2.778 388 N HA -0.243 4.497 4.740 -0.000 0.000 0.249 388 N C 0.536 176.026 175.510 -0.033 0.000 1.069 388 N CA 0.513 53.551 53.050 -0.020 0.000 0.831 388 N CB -1.124 37.350 38.487 -0.022 0.000 1.142 388 N HN 0.781 nan 8.380 nan 0.000 0.573 389 G N -1.656 107.125 108.800 -0.031 0.000 2.137 389 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.237 389 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.237 389 G C 0.005 174.877 174.900 -0.047 0.000 1.002 389 G CA 0.028 45.100 45.100 -0.046 0.000 0.702 389 G HN 0.501 nan 8.290 nan 0.000 0.515 390 V N 1.009 120.902 119.914 -0.036 0.000 2.446 390 V HA 0.272 4.392 4.120 -0.000 0.000 0.276 390 V C 1.206 177.303 176.094 0.004 0.000 1.030 390 V CA -0.260 62.030 62.300 -0.017 0.000 1.033 390 V CB 1.462 33.282 31.823 -0.004 0.000 0.993 390 V HN 0.274 nan 8.190 nan 0.000 0.477 391 V N 7.046 126.948 119.914 -0.020 0.000 2.415 391 V HA 0.155 4.274 4.120 -0.000 0.000 0.267 391 V C -0.309 175.882 176.094 0.161 0.000 1.042 391 V CA -0.151 62.127 62.300 -0.037 0.000 1.000 391 V CB -0.013 31.588 31.823 -0.370 0.000 1.015 391 V HN 0.743 nan 8.190 nan 0.000 0.478 392 Y N 5.184 125.537 120.300 0.089 0.000 2.377 392 Y HA 0.453 5.003 4.550 -0.000 0.000 0.339 392 Y C 0.329 176.292 175.900 0.105 0.000 1.011 392 Y CA -0.854 57.293 58.100 0.078 0.000 1.093 392 Y CB 1.371 39.805 38.460 -0.042 0.000 1.201 392 Y HN 0.603 nan 8.280 nan 0.000 0.455 393 N N 5.150 123.535 118.700 -0.525 0.000 2.437 393 N HA 0.035 4.775 4.740 -0.000 0.000 0.243 393 N C 0.301 175.463 175.510 -0.580 0.000 1.041 393 N CA 0.102 52.782 53.050 -0.616 0.000 0.940 393 N CB 0.790 38.986 38.487 -0.486 0.000 1.133 393 N HN 0.798 nan 8.380 nan 0.000 0.506 394 E N 1.750 121.775 120.200 -0.291 0.000 2.409 394 E HA -0.067 4.283 4.350 -0.000 0.000 0.198 394 E C 0.742 177.280 176.600 -0.104 0.000 1.024 394 E CA 0.832 57.191 56.400 -0.068 0.000 0.861 394 E CB 0.228 29.949 29.700 0.036 0.000 0.788 394 E HN 0.583 nan 8.360 nan 0.000 0.521 395 T N 0.162 114.598 114.554 -0.197 0.000 2.866 395 T HA -0.057 4.293 4.350 -0.000 0.000 0.250 395 T C 1.933 176.559 174.700 -0.124 0.000 1.033 395 T CA 1.720 63.736 62.100 -0.140 0.000 1.145 395 T CB 0.003 68.776 68.868 -0.159 0.000 0.866 395 T HN 0.332 nan 8.240 nan 0.000 0.434 396 T N -0.726 113.724 114.554 -0.174 0.000 3.069 396 T HA 0.167 4.517 4.350 -0.000 0.000 0.252 396 T C 0.562 175.173 174.700 -0.149 0.000 1.053 396 T CA -0.271 61.749 62.100 -0.134 0.000 0.964 396 T CB -0.192 68.602 68.868 -0.124 0.000 1.005 396 T HN 0.243 nan 8.240 nan 0.000 0.532 397 N N 2.056 120.620 118.700 -0.226 0.000 2.696 397 N HA -0.129 4.611 4.740 -0.000 0.000 0.256 397 N C -1.067 174.289 175.510 -0.258 0.000 1.031 397 N CA 0.910 53.828 53.050 -0.220 0.000 0.730 397 N CB -0.703 37.799 38.487 0.025 0.000 0.894 397 N HN 0.680 nan 8.380 nan 0.000 0.544 398 K N 0.172 120.266 120.400 -0.510 0.000 2.501 398 K HA 0.436 4.756 4.320 -0.000 0.000 0.252 398 K C -2.512 173.886 176.600 -0.336 0.000 0.934 398 K CA -1.437 54.690 56.287 -0.268 0.000 0.797 398 K CB 2.845 35.265 32.500 -0.134 0.000 1.270 398 K HN -0.105 nan 8.250 nan 0.000 0.431 399 P HA 0.013 nan 4.420 nan 0.000 0.274 399 P C -0.333 176.992 177.300 0.041 0.000 1.237 399 P CA -0.173 62.973 63.100 0.076 0.000 0.793 399 P CB 0.769 32.554 31.700 0.142 0.000 0.977 400 T N -2.143 112.462 114.554 0.085 0.000 2.876 400 T HA 0.276 4.625 4.350 -0.000 0.000 0.277 400 T C 0.935 175.635 174.700 0.000 0.000 0.997 400 T CA -0.429 61.732 62.100 0.101 0.000 0.966 400 T CB 0.226 69.250 68.868 0.260 0.000 1.312 400 T HN 0.183 nan 8.240 nan 0.000 0.598 401 N N -1.317 117.312 118.700 -0.118 0.000 2.412 401 N HA 0.127 4.867 4.740 -0.000 0.000 0.184 401 N C -0.953 174.334 175.510 -0.371 0.000 1.101 401 N CA -0.084 52.802 53.050 -0.273 0.000 0.881 401 N CB -0.476 37.793 38.487 -0.364 0.000 0.969 401 N HN 0.560 nan 8.380 nan 0.000 0.459 402 Y N -0.138 120.112 120.300 -0.084 0.000 2.308 402 Y HA 0.345 4.895 4.550 -0.000 0.000 0.329 402 Y C 0.872 176.662 175.900 -0.183 0.000 1.111 402 Y CA -0.748 57.256 58.100 -0.160 0.000 1.179 402 Y CB 1.221 39.481 38.460 -0.333 0.000 1.201 402 Y HN -0.135 nan 8.280 nan 0.000 0.483 403 T N 0.645 115.198 114.554 -0.001 0.000 2.907 403 T HA 0.661 5.011 4.350 -0.000 0.000 0.292 403 T C -0.957 173.704 174.700 -0.065 0.000 1.043 403 T CA -0.936 61.134 62.100 -0.049 0.000 1.003 403 T CB 1.414 70.257 68.868 -0.043 0.000 1.084 403 T HN 0.274 nan 8.240 nan 0.000 0.483 404 I N 4.183 124.700 120.570 -0.088 0.000 2.312 404 I HA 0.319 4.489 4.170 -0.000 0.000 0.290 404 I C 0.653 176.699 176.117 -0.119 0.000 1.008 404 I CA -0.937 60.306 61.300 -0.094 0.000 1.226 404 I CB 0.413 38.360 38.000 -0.089 0.000 1.371 404 I HN 0.866 nan 8.210 nan 0.000 0.468 405 N N 5.649 124.284 118.700 -0.108 0.000 2.285 405 N HA -0.031 4.709 4.740 -0.000 0.000 0.262 405 N C 0.629 175.997 175.510 -0.237 0.000 1.299 405 N CA -0.177 52.798 53.050 -0.125 0.000 0.930 405 N CB 0.406 38.850 38.487 -0.071 0.000 1.157 405 N HN 0.548 nan 8.380 nan 0.000 0.532 406 D N -1.251 119.022 120.400 -0.211 0.000 2.348 406 D HA -0.131 4.509 4.640 -0.000 0.000 0.216 406 D C 0.442 176.530 176.300 -0.353 0.000 0.970 406 D CA 1.117 54.940 54.000 -0.296 0.000 0.889 406 D CB -0.226 40.478 40.800 -0.161 0.000 0.912 406 D HN 0.614 nan 8.370 nan 0.000 0.524 407 K N -0.697 119.575 120.400 -0.213 0.000 2.458 407 K HA 0.019 4.339 4.320 -0.000 0.000 0.194 407 K C -0.363 176.268 176.600 0.053 0.000 1.024 407 K CA -0.290 55.937 56.287 -0.100 0.000 1.108 407 K CB -0.186 32.317 32.500 0.005 0.000 0.846 407 K HN 0.030 nan 8.250 nan 0.000 0.518 408 Y N 0.158 120.427 120.300 -0.052 0.000 4.409 408 Y HA -0.291 4.259 4.550 -0.000 0.000 0.228 408 Y C -0.383 175.517 175.900 -0.000 0.000 1.108 408 Y CA 0.359 58.473 58.100 0.024 0.000 1.955 408 Y CB -2.432 36.139 38.460 0.184 0.000 1.615 408 Y HN 0.216 nan 8.280 nan 0.000 0.665 409 E N -0.023 120.206 120.200 0.047 0.000 2.301 409 E HA 0.472 4.822 4.350 -0.000 0.000 0.275 409 E C -0.206 176.396 176.600 0.003 0.000 1.030 409 E CA -0.696 55.714 56.400 0.018 0.000 0.852 409 E CB 1.526 31.243 29.700 0.028 0.000 1.060 409 E HN 0.026 nan 8.360 nan 0.000 0.401 410 V N 4.334 124.256 119.914 0.013 0.000 2.461 410 V HA 0.164 4.284 4.120 -0.000 0.000 0.275 410 V C -0.261 175.871 176.094 0.064 0.000 1.047 410 V CA -0.414 61.905 62.300 0.032 0.000 0.955 410 V CB 0.256 32.117 31.823 0.062 0.000 0.988 410 V HN 0.443 nan 8.190 nan 0.000 0.471 411 L N 4.354 125.617 121.223 0.065 0.000 2.346 411 L HA 0.554 4.894 4.340 -0.000 0.000 0.274 411 L C -0.014 176.919 176.870 0.104 0.000 1.007 411 L CA -0.068 54.810 54.840 0.064 0.000 0.818 411 L CB 1.816 43.884 42.059 0.014 0.000 1.284 411 L HN 0.704 nan 8.230 nan 0.000 0.424 412 E N 1.654 121.891 120.200 0.062 0.000 2.145 412 E HA 0.462 4.812 4.350 -0.000 0.000 0.270 412 E C 0.557 177.080 176.600 -0.128 0.000 0.906 412 E CA -0.352 55.987 56.400 -0.101 0.000 0.761 412 E CB 1.082 30.730 29.700 -0.086 0.000 1.116 412 E HN 0.800 nan 8.360 nan 0.000 0.408 413 G N 3.444 112.134 108.800 -0.183 0.000 2.421 413 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.300 413 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.300 413 G C 0.935 175.794 174.900 -0.068 0.000 0.974 413 G CA 0.689 45.717 45.100 -0.120 0.000 1.062 413 G HN 1.352 nan 8.290 nan 0.000 0.514 414 G N -1.096 107.673 108.800 -0.051 0.000 2.212 414 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.266 414 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.266 414 G C 0.542 175.432 174.900 -0.016 0.000 0.978 414 G CA 1.348 46.431 45.100 -0.029 0.000 0.632 414 G HN 1.303 nan 8.290 nan 0.000 0.537 415 K N 1.453 121.844 120.400 -0.015 0.000 2.227 415 K HA 0.501 4.820 4.320 -0.000 0.000 0.280 415 K C 0.277 176.887 176.600 0.016 0.000 1.041 415 K CA -0.207 56.080 56.287 -0.001 0.000 0.905 415 K CB 0.481 32.978 32.500 -0.005 0.000 1.068 415 K HN 0.095 nan 8.250 nan 0.000 0.470 416 S N 4.413 120.125 115.700 0.021 0.000 2.525 416 S HA 0.078 4.548 4.470 -0.000 0.000 0.285 416 S C 0.272 174.897 174.600 0.042 0.000 1.283 416 S CA -0.295 57.925 58.200 0.033 0.000 1.072 416 S CB 0.128 63.347 63.200 0.032 0.000 0.867 416 S HN 0.434 nan 8.310 nan 0.000 0.492 417 L N 3.282 124.540 121.223 0.058 0.000 2.357 417 L HA 0.550 4.890 4.340 -0.000 0.000 0.273 417 L C 0.880 177.785 176.870 0.057 0.000 1.080 417 L CA -0.578 54.300 54.840 0.064 0.000 0.803 417 L CB 1.274 43.389 42.059 0.093 0.000 1.174 417 L HN 0.677 nan 8.230 nan 0.000 0.443 418 T N -0.377 114.205 114.554 0.047 0.000 2.916 418 T HA 0.762 5.112 4.350 -0.000 0.000 0.292 418 T C -0.478 174.246 174.700 0.040 0.000 1.055 418 T CA -0.707 61.423 62.100 0.050 0.000 1.009 418 T CB 2.010 70.896 68.868 0.030 0.000 1.118 418 T HN 0.452 nan 8.240 nan 0.000 0.497 419 V N -1.046 118.903 119.914 0.058 0.000 3.126 419 V HA 0.737 4.856 4.120 -0.000 0.000 0.314 419 V C -0.335 175.719 176.094 -0.066 0.000 1.138 419 V CA -1.227 61.084 62.300 0.019 0.000 1.034 419 V CB 1.588 33.485 31.823 0.123 0.000 1.075 419 V HN 1.162 nan 8.190 nan 0.000 0.442 420 E N 0.928 120.992 120.200 -0.227 0.000 2.249 420 E HA 0.296 4.645 4.350 -0.000 0.000 0.280 420 E C -0.456 175.955 176.600 -0.314 0.000 1.016 420 E CA -0.499 55.686 56.400 -0.359 0.000 0.830 420 E CB 1.399 30.688 29.700 -0.685 0.000 1.081 420 E HN 0.801 nan 8.360 nan 0.000 0.395 421 Q N 2.580 122.252 119.800 -0.212 0.000 2.368 421 Q HA 0.141 4.480 4.340 -0.000 0.000 0.237 421 Q C -1.341 174.495 176.000 -0.275 0.000 0.987 421 Q CA -0.269 55.433 55.803 -0.169 0.000 0.896 421 Q CB 0.633 29.316 28.738 -0.092 0.000 1.241 421 Q HN 0.500 nan 8.270 nan 0.000 0.485 422 Y N 0.133 120.210 120.300 -0.373 0.000 2.387 422 Y HA 0.340 4.889 4.550 -0.000 0.000 0.336 422 Y C 0.072 175.674 175.900 -0.498 0.000 1.067 422 Y CA -0.498 57.235 58.100 -0.613 0.000 1.114 422 Y CB 2.213 39.785 38.460 -1.481 0.000 1.208 422 Y HN 0.502 nan 8.280 nan 0.000 0.458 423 S N 1.506 117.128 115.700 -0.130 0.000 2.664 423 S HA 0.732 5.202 4.470 -0.000 0.000 0.304 423 S C -0.828 173.782 174.600 0.016 0.000 1.099 423 S CA -0.892 57.291 58.200 -0.030 0.000 1.003 423 S CB 1.621 64.820 63.200 -0.001 0.000 1.092 423 S HN 0.494 nan 8.310 nan 0.000 0.525 424 V N -0.076 119.893 119.914 0.091 0.000 2.715 424 V HA 0.959 5.078 4.120 -0.000 0.000 0.310 424 V C -1.236 174.865 176.094 0.011 0.000 1.054 424 V CA -0.993 61.346 62.300 0.066 0.000 0.928 424 V CB 1.368 33.306 31.823 0.192 0.000 1.007 424 V HN 1.038 nan 8.190 nan 0.000 0.437 425 D N 1.527 121.847 120.400 -0.133 0.000 2.655 425 D HA 0.483 5.123 4.640 -0.000 0.000 0.229 425 D C -0.873 175.226 176.300 -0.335 0.000 1.229 425 D CA -0.659 53.280 54.000 -0.102 0.000 0.807 425 D CB 1.590 42.377 40.800 -0.023 0.000 1.514 425 D HN 0.292 nan 8.370 nan 0.000 0.444 426 F N 0.310 120.194 119.950 -0.110 0.000 2.684 426 F HA 0.236 4.763 4.527 -0.000 0.000 0.298 426 F C 1.033 176.786 175.800 -0.078 0.000 1.120 426 F CA -0.497 57.422 58.000 -0.135 0.000 1.332 426 F CB 0.382 39.256 39.000 -0.210 0.000 0.986 426 F HN 0.283 nan 8.300 nan 0.000 0.524 427 D N -0.070 120.362 120.400 0.054 0.000 2.144 427 D HA -0.170 4.470 4.640 -0.000 0.000 0.199 427 D C 2.288 178.603 176.300 0.025 0.000 0.984 427 D CA 1.742 55.766 54.000 0.040 0.000 0.834 427 D CB -0.285 40.528 40.800 0.021 0.000 0.955 427 D HN 0.249 nan 8.370 nan 0.000 0.465 428 S N -0.962 114.741 115.700 0.004 0.000 2.660 428 S HA 0.249 4.719 4.470 -0.000 0.000 0.223 428 S C 1.653 176.261 174.600 0.013 0.000 0.963 428 S CA 0.632 58.832 58.200 0.000 0.000 0.932 428 S CB 0.044 63.232 63.200 -0.019 0.000 0.775 428 S HN 0.336 nan 8.310 nan 0.000 0.531 429 G N 0.511 109.336 108.800 0.042 0.000 2.159 429 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.256 429 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.256 429 G C 0.120 175.062 174.900 0.071 0.000 0.977 429 G CA 0.316 45.449 45.100 0.055 0.000 0.652 429 G HN 1.676 nan 8.290 nan 0.000 0.531 430 S N -1.492 114.239 115.700 0.053 0.000 2.638 430 S HA 0.742 5.212 4.470 -0.000 0.000 0.274 430 S C -0.573 173.932 174.600 -0.157 0.000 1.157 430 S CA -0.574 57.647 58.200 0.036 0.000 0.826 430 S CB 2.125 65.321 63.200 -0.007 0.000 1.139 430 S HN 1.536 nan 8.310 nan 0.000 0.474 431 L N 1.881 122.897 121.223 -0.345 0.000 2.477 431 L HA 0.461 4.801 4.340 -0.000 0.000 0.272 431 L C 0.378 177.010 176.870 -0.397 0.000 1.157 431 L CA 0.529 54.895 54.840 -0.789 0.000 0.889 431 L CB -0.068 41.604 42.059 -0.644 0.000 1.158 431 L HN 0.796 nan 8.230 nan 0.000 0.473 432 R N 4.502 124.776 120.500 -0.378 0.000 2.514 432 R HA 0.442 4.782 4.340 -0.000 0.000 0.301 432 R C -1.091 175.123 176.300 -0.143 0.000 0.962 432 R CA -0.561 55.422 56.100 -0.194 0.000 0.882 432 R CB 1.073 31.290 30.300 -0.138 0.000 1.143 432 R HN 0.738 nan 8.270 nan 0.000 0.452 433 E N 4.859 125.011 120.200 -0.080 0.000 2.155 433 E HA 0.316 4.666 4.350 -0.000 0.000 0.264 433 E C -0.878 175.723 176.600 0.001 0.000 0.886 433 E CA -0.738 55.647 56.400 -0.024 0.000 0.752 433 E CB 1.933 31.631 29.700 -0.003 0.000 1.133 433 E HN 0.527 nan 8.360 nan 0.000 0.414 434 R N 1.264 121.786 120.500 0.036 0.000 2.668 434 R HA 0.412 4.752 4.340 -0.000 0.000 0.272 434 R C -0.647 175.602 176.300 -0.085 0.000 1.019 434 R CA -1.024 55.072 56.100 -0.008 0.000 0.894 434 R CB 0.905 31.184 30.300 -0.035 0.000 1.228 434 R HN 0.367 nan 8.270 nan 0.000 0.460 435 H N 2.080 121.021 119.070 -0.214 0.000 3.001 435 H HA -0.020 4.536 4.556 -0.000 0.000 0.334 435 H C 0.394 175.588 175.328 -0.223 0.000 1.034 435 H CA 0.664 56.475 56.048 -0.394 0.000 1.420 435 H CB 0.769 30.306 29.762 -0.374 0.000 1.405 435 H HN 0.756 nan 8.280 nan 0.000 0.593 436 N N 0.860 119.514 118.700 -0.076 0.000 2.187 436 N HA 0.081 4.821 4.740 -0.000 0.000 0.212 436 N C 1.272 176.744 175.510 -0.064 0.000 1.152 436 N CA 0.340 53.353 53.050 -0.063 0.000 0.872 436 N CB 0.826 39.279 38.487 -0.058 0.000 1.025 436 N HN 0.734 nan 8.380 nan 0.000 0.514 437 G N 0.251 108.995 108.800 -0.094 0.000 2.268 437 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.240 437 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.240 437 G C -0.094 174.755 174.900 -0.086 0.000 1.010 437 G CA 0.282 45.330 45.100 -0.087 0.000 0.618 437 G HN 0.616 nan 8.290 nan 0.000 0.516 438 K N 1.262 121.614 120.400 -0.080 0.000 2.234 438 K HA 0.444 4.764 4.320 -0.000 0.000 0.282 438 K C -0.202 176.357 176.600 -0.068 0.000 1.039 438 K CA -0.514 55.740 56.287 -0.055 0.000 0.928 438 K CB 0.403 32.886 32.500 -0.029 0.000 1.039 438 K HN 0.119 nan 8.250 nan 0.000 0.470 439 Q N 2.638 122.412 119.800 -0.044 0.000 2.256 439 Q HA 0.258 4.598 4.340 -0.000 0.000 0.254 439 Q C -0.292 175.717 176.000 0.014 0.000 0.916 439 Q CA -0.546 55.239 55.803 -0.030 0.000 0.932 439 Q CB 1.617 30.340 28.738 -0.025 0.000 1.207 439 Q HN 0.529 nan 8.270 nan 0.000 0.426 440 V N -0.585 119.356 119.914 0.046 0.000 2.914 440 V HA 0.668 4.788 4.120 -0.000 0.000 0.314 440 V C -2.663 173.515 176.094 0.140 0.000 1.084 440 V CA -3.056 59.307 62.300 0.105 0.000 0.963 440 V CB 1.765 33.672 31.823 0.139 0.000 1.025 440 V HN 0.473 nan 8.190 nan 0.000 0.432 441 P HA 0.056 nan 4.420 nan 0.000 0.261 441 P C -0.241 177.155 177.300 0.159 0.000 1.173 441 P CA 0.356 63.534 63.100 0.130 0.000 0.760 441 P CB 0.177 31.950 31.700 0.122 0.000 0.783 442 M N 4.003 123.661 119.600 0.096 0.000 2.188 442 M HA 0.185 4.664 4.480 -0.000 0.000 0.354 442 M C -0.360 175.881 176.300 -0.098 0.000 1.342 442 M CA 0.265 55.601 55.300 0.059 0.000 1.117 442 M CB 0.169 32.808 32.600 0.065 0.000 1.670 442 M HN 0.179 nan 8.290 nan 0.000 0.466 443 N N 3.950 122.404 118.700 -0.411 0.000 2.284 443 N HA 0.232 4.972 4.740 -0.000 0.000 0.300 443 N C 0.609 175.914 175.510 -0.341 0.000 1.047 443 N CA -0.500 52.239 53.050 -0.519 0.000 0.821 443 N CB 2.034 39.835 38.487 -1.144 0.000 1.337 443 N HN 0.713 nan 8.380 nan 0.000 0.482 444 V N 1.429 121.285 119.914 -0.098 0.000 2.828 444 V HA -0.096 4.024 4.120 -0.000 0.000 0.260 444 V C 1.377 177.324 176.094 -0.245 0.000 1.101 444 V CA 1.356 63.585 62.300 -0.119 0.000 1.123 444 V CB -1.176 30.583 31.823 -0.107 0.000 0.704 444 V HN 0.520 nan 8.190 nan 0.000 0.493 445 F N -1.349 118.478 119.950 -0.205 0.000 2.789 445 F HA 0.309 4.836 4.527 -0.000 0.000 0.300 445 F C 1.137 176.897 175.800 -0.067 0.000 1.132 445 F CA -0.255 57.629 58.000 -0.194 0.000 1.404 445 F CB -0.040 38.751 39.000 -0.349 0.000 1.114 445 F HN 0.142 nan 8.300 nan 0.000 0.584 446 Y N 0.649 120.909 120.300 -0.067 0.000 2.326 446 Y HA 0.198 4.747 4.550 -0.000 0.000 0.324 446 Y C 1.686 177.580 175.900 -0.010 0.000 1.291 446 Y CA -1.839 56.230 58.100 -0.052 0.000 1.348 446 Y CB 0.421 38.890 38.460 0.015 0.000 1.294 446 Y HN -0.170 nan 8.280 nan 0.000 0.525 447 K N 0.166 120.685 120.400 0.198 0.000 2.103 447 K HA -0.116 4.203 4.320 -0.000 0.000 0.204 447 K C 0.099 176.789 176.600 0.149 0.000 1.052 447 K CA 1.598 57.959 56.287 0.123 0.000 0.945 447 K CB 0.060 32.605 32.500 0.074 0.000 0.722 447 K HN 0.605 nan 8.250 nan 0.000 0.443 448 D N 0.819 121.360 120.400 0.234 0.000 2.336 448 D HA -0.011 4.628 4.640 -0.000 0.000 0.229 448 D C 0.115 176.482 176.300 0.112 0.000 1.061 448 D CA 0.247 54.359 54.000 0.187 0.000 0.875 448 D CB 0.352 41.290 40.800 0.230 0.000 0.904 448 D HN 0.016 nan 8.370 nan 0.000 0.525 449 S N 0.488 116.249 115.700 0.103 0.000 2.564 449 S HA 0.059 4.529 4.470 -0.000 0.000 0.278 449 S C 1.167 175.728 174.600 -0.065 0.000 1.333 449 S CA -0.669 57.550 58.200 0.032 0.000 1.048 449 S CB 0.720 63.932 63.200 0.021 0.000 0.900 449 S HN 0.074 nan 8.310 nan 0.000 0.505 450 L N 5.438 126.590 121.223 -0.118 0.000 2.131 450 L HA 0.309 4.649 4.340 -0.000 0.000 0.210 450 L C -0.378 176.134 176.870 -0.596 0.000 1.092 450 L CA 1.746 56.388 54.840 -0.331 0.000 0.759 450 L CB -0.295 41.557 42.059 -0.345 0.000 0.903 450 L HN 0.652 nan 8.230 nan 0.000 0.435 451 F N 0.614 120.411 119.950 -0.255 0.000 2.477 451 F HA 0.482 5.009 4.527 -0.000 0.000 0.335 451 F C 0.092 175.778 175.800 -0.190 0.000 1.130 451 F CA -0.795 57.042 58.000 -0.272 0.000 0.948 451 F CB 1.276 40.078 39.000 -0.329 0.000 1.154 451 F HN -0.270 nan 8.300 nan 0.000 0.439 452 K N 2.999 123.382 120.400 -0.028 0.000 2.318 452 K HA 0.686 5.006 4.320 -0.000 0.000 0.249 452 K C -0.712 175.907 176.600 0.032 0.000 0.942 452 K CA -1.093 55.168 56.287 -0.044 0.000 0.808 452 K CB 2.880 35.342 32.500 -0.063 0.000 1.189 452 K HN 0.467 nan 8.250 nan 0.000 0.428 453 V N -0.938 118.919 119.914 -0.096 0.000 3.003 453 V HA 0.201 4.321 4.120 -0.000 0.000 0.305 453 V C 0.322 176.522 176.094 0.176 0.000 1.078 453 V CA -0.497 61.755 62.300 -0.080 0.000 1.083 453 V CB 0.758 32.221 31.823 -0.601 0.000 1.039 453 V HN 0.703 nan 8.190 nan 0.000 0.481 454 T N 5.076 119.700 114.554 0.117 0.000 2.908 454 T HA 0.155 4.504 4.350 -0.000 0.000 0.301 454 T C -2.069 172.658 174.700 0.044 0.000 1.019 454 T CA 0.152 62.209 62.100 -0.071 0.000 1.152 454 T CB 0.299 68.948 68.868 -0.365 0.000 0.966 454 T HN 0.868 nan 8.240 nan 0.000 0.540 455 P HA 0.179 nan 4.420 nan 0.000 0.244 455 P C -0.287 176.983 177.300 -0.049 0.000 1.769 455 P CA 0.061 63.180 63.100 0.032 0.000 1.102 455 P CB 0.064 31.793 31.700 0.048 0.000 1.937 456 T N 1.323 115.803 114.554 -0.124 0.000 2.669 456 T HA 0.375 4.724 4.350 -0.000 0.000 0.283 456 T C -1.071 173.402 174.700 -0.378 0.000 1.019 456 T CA -0.728 61.215 62.100 -0.261 0.000 1.039 456 T CB 1.128 69.781 68.868 -0.359 0.000 1.374 456 T HN 0.245 nan 8.240 nan 0.000 0.523 457 N N 0.790 119.213 118.700 -0.462 0.000 2.405 457 N HA 0.423 5.162 4.740 -0.000 0.000 0.299 457 N C -1.614 173.540 175.510 -0.593 0.000 1.075 457 N CA -0.358 52.462 53.050 -0.384 0.000 0.884 457 N CB 1.335 39.688 38.487 -0.224 0.000 1.194 457 N HN 0.594 nan 8.380 nan 0.000 0.491 458 Y N -0.147 120.145 120.300 -0.013 0.000 2.633 458 Y HA 0.612 5.162 4.550 -0.000 0.000 0.339 458 Y C 0.092 175.969 175.900 -0.039 0.000 1.045 458 Y CA -1.046 57.071 58.100 0.028 0.000 1.098 458 Y CB 1.781 40.334 38.460 0.156 0.000 1.296 458 Y HN 0.316 nan 8.280 nan 0.000 0.494 459 I N 1.300 121.962 120.570 0.153 0.000 2.530 459 I HA 0.763 4.933 4.170 -0.000 0.000 0.297 459 I C -0.626 175.518 176.117 0.045 0.000 1.011 459 I CA -0.872 60.440 61.300 0.021 0.000 1.107 459 I CB 1.864 39.819 38.000 -0.076 0.000 1.285 459 I HN 0.686 nan 8.210 nan 0.000 0.436 460 A N 6.878 129.685 122.820 -0.022 0.000 2.413 460 A HA 0.927 5.247 4.320 -0.000 0.000 0.307 460 A C -0.652 176.891 177.584 -0.068 0.000 1.087 460 A CA -0.705 51.353 52.037 0.035 0.000 0.750 460 A CB 1.894 20.954 19.000 0.100 0.000 1.296 460 A HN 0.792 nan 8.150 nan 0.000 0.423 461 M N 0.958 120.565 119.600 0.012 0.000 2.383 461 M HA 0.728 5.208 4.480 -0.000 0.000 0.325 461 M C -0.515 175.859 176.300 0.123 0.000 1.092 461 M CA -0.203 55.093 55.300 -0.006 0.000 0.961 461 M CB 1.945 34.556 32.600 0.018 0.000 1.672 461 M HN 0.632 nan 8.290 nan 0.000 0.438 462 T N 1.349 115.949 114.554 0.078 0.000 2.950 462 T HA 0.827 5.177 4.350 -0.000 0.000 0.288 462 T C -0.574 174.317 174.700 0.318 0.000 1.035 462 T CA -0.153 62.059 62.100 0.188 0.000 1.028 462 T CB 1.650 70.586 68.868 0.115 0.000 1.109 462 T HN 0.966 nan 8.240 nan 0.000 0.514 463 T N -0.319 114.482 114.554 0.412 0.000 2.900 463 T HA 0.691 5.041 4.350 -0.000 0.000 0.295 463 T C -0.623 174.284 174.700 0.345 0.000 1.044 463 T CA -0.799 61.549 62.100 0.413 0.000 0.995 463 T CB 1.631 70.649 68.868 0.250 0.000 1.072 463 T HN 0.551 nan 8.240 nan 0.000 0.473 464 S N 0.321 116.067 115.700 0.076 0.000 2.532 464 S HA 0.475 4.944 4.470 -0.000 0.000 0.301 464 S C 0.086 174.597 174.600 -0.149 0.000 1.083 464 S CA -0.502 57.535 58.200 -0.272 0.000 1.025 464 S CB 1.857 64.493 63.200 -0.940 0.000 1.056 464 S HN 0.827 nan 8.310 nan 0.000 0.494 465 Q N 2.143 121.862 119.800 -0.135 0.000 2.189 465 Q HA 0.282 4.622 4.340 -0.000 0.000 0.223 465 Q C -0.016 175.915 176.000 -0.116 0.000 0.828 465 Q CA 0.529 56.282 55.803 -0.083 0.000 0.967 465 Q CB 0.171 28.887 28.738 -0.037 0.000 1.139 465 Q HN 0.760 nan 8.270 nan 0.000 0.497 466 N N -0.554 118.036 118.700 -0.183 0.000 2.338 466 N HA 0.176 4.916 4.740 -0.000 0.000 0.251 466 N C -0.903 174.438 175.510 -0.282 0.000 1.199 466 N CA -0.329 52.602 53.050 -0.198 0.000 0.879 466 N CB 0.277 38.658 38.487 -0.176 0.000 1.159 466 N HN 0.030 nan 8.380 nan 0.000 0.514 467 R N 0.081 120.409 120.500 -0.286 0.000 3.333 467 R HA -0.159 4.180 4.340 -0.000 0.000 0.256 467 R C 0.609 176.661 176.300 -0.413 0.000 1.010 467 R CA 0.609 56.534 56.100 -0.291 0.000 0.680 467 R CB -2.288 27.882 30.300 -0.216 0.000 1.102 467 R HN 0.657 nan 8.270 nan 0.000 0.440 468 G N -0.738 107.716 108.800 -0.577 0.000 2.159 468 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.227 468 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.227 468 G C 0.601 175.342 174.900 -0.265 0.000 0.986 468 G CA 0.410 45.196 45.100 -0.524 0.000 0.651 468 G HN 0.530 nan 8.290 nan 0.000 0.523 469 E N 0.019 120.030 120.200 -0.315 0.000 2.170 469 E HA 0.244 4.594 4.350 -0.000 0.000 0.191 469 E C 1.409 177.973 176.600 -0.059 0.000 0.981 469 E CA 1.053 57.409 56.400 -0.073 0.000 0.830 469 E CB 0.176 29.807 29.700 -0.115 0.000 0.775 469 E HN 0.762 nan 8.360 nan 0.000 0.470 470 S N -1.127 114.450 115.700 -0.206 0.000 2.618 470 S HA 0.551 5.020 4.470 -0.000 0.000 0.277 470 S C -1.780 172.653 174.600 -0.277 0.000 1.138 470 S CA -1.054 57.082 58.200 -0.107 0.000 0.844 470 S CB 0.955 64.154 63.200 -0.001 0.000 1.127 470 S HN 0.198 nan 8.310 nan 0.000 0.474 471 W N 0.741 122.093 121.300 0.088 0.000 2.839 471 W HA 0.512 5.172 4.660 0.000 0.000 0.334 471 W C -0.324 176.244 176.519 0.081 0.000 1.064 471 W CA -0.459 56.936 57.345 0.084 0.000 1.236 471 W CB 1.570 31.083 29.460 0.089 0.000 1.405 471 W HN 0.571 nan 8.180 nan 0.000 0.478 472 E N 1.462 121.858 120.200 0.326 0.000 2.392 472 E HA 0.002 4.352 4.350 -0.000 0.000 0.259 472 E C -0.006 176.721 176.600 0.212 0.000 1.108 472 E CA -0.530 55.997 56.400 0.212 0.000 0.916 472 E CB 0.566 30.367 29.700 0.168 0.000 0.989 472 E HN 0.358 nan 8.360 nan 0.000 0.432 473 Q N 1.858 121.739 119.800 0.135 0.000 2.308 473 Q HA -0.043 4.296 4.340 -0.000 0.000 0.313 473 Q C -0.746 175.304 176.000 0.082 0.000 1.075 473 Q CA 0.199 56.048 55.803 0.076 0.000 0.995 473 Q CB -0.378 28.353 28.738 -0.013 0.000 1.107 473 Q HN 0.365 nan 8.270 nan 0.000 0.380 474 F N 1.778 121.779 119.950 0.085 0.000 2.545 474 F HA 0.384 4.910 4.527 -0.000 0.000 0.348 474 F C -0.030 175.896 175.800 0.211 0.000 1.163 474 F CA -0.381 57.668 58.000 0.082 0.000 1.331 474 F CB 0.639 39.619 39.000 -0.033 0.000 1.138 474 F HN 0.438 nan 8.300 nan 0.000 0.602 475 K N 4.021 124.627 120.400 0.344 0.000 2.378 475 K HA 0.473 4.793 4.320 -0.000 0.000 0.252 475 K C -1.100 175.743 176.600 0.405 0.000 0.931 475 K CA -0.906 55.593 56.287 0.353 0.000 0.794 475 K CB 1.617 34.264 32.500 0.244 0.000 1.181 475 K HN 0.799 nan 8.250 nan 0.000 0.425 476 L N 5.157 126.654 121.223 0.457 0.000 2.462 476 L HA 0.148 4.488 4.340 -0.000 0.000 0.272 476 L C 0.312 177.337 176.870 0.259 0.000 1.166 476 L CA -0.261 54.789 54.840 0.350 0.000 0.880 476 L CB 0.183 42.474 42.059 0.387 0.000 1.142 476 L HN 0.481 nan 8.230 nan 0.000 0.473 477 L N 5.821 127.135 121.223 0.151 0.000 2.461 477 L HA 0.217 4.557 4.340 -0.000 0.000 0.272 477 L C -1.619 175.162 176.870 -0.148 0.000 1.197 477 L CA -1.588 53.273 54.840 0.035 0.000 0.836 477 L CB 0.289 42.357 42.059 0.015 0.000 1.105 477 L HN 0.445 nan 8.230 nan 0.000 0.477 478 P HA 0.206 nan 4.420 nan 0.000 0.274 478 P C -2.685 173.921 177.300 -1.157 0.000 1.260 478 P CA -1.374 61.175 63.100 -0.919 0.000 0.793 478 P CB -0.321 30.934 31.700 -0.740 0.000 1.048 479 P HA 0.228 nan 4.420 nan 0.000 0.278 479 P C -0.317 176.368 177.300 -1.025 0.000 1.238 479 P CA -0.096 62.438 63.100 -0.942 0.000 0.794 479 P CB 0.418 31.654 31.700 -0.773 0.000 0.955 480 F N 0.363 120.143 119.950 -0.284 0.000 2.704 480 F HA 0.283 4.810 4.527 -0.000 0.000 0.304 480 F C 1.412 177.124 175.800 -0.147 0.000 1.094 480 F CA 0.397 58.288 58.000 -0.183 0.000 1.275 480 F CB 0.127 39.056 39.000 -0.119 0.000 1.073 480 F HN 0.069 nan 8.300 nan 0.000 0.586 481 L N -0.272 120.929 121.223 -0.037 0.000 3.366 481 L HA 0.556 4.896 4.340 -0.000 0.000 0.304 481 L C 0.464 177.309 176.870 -0.042 0.000 1.292 481 L CA -0.257 54.527 54.840 -0.093 0.000 1.012 481 L CB 0.289 42.153 42.059 -0.326 0.000 1.414 481 L HN 0.131 nan 8.230 nan 0.000 0.603 482 G N 0.299 109.099 108.800 -0.002 0.000 2.707 482 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.686 482 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.686 482 G C 0.180 175.175 174.900 0.158 0.000 1.315 482 G CA -0.352 44.815 45.100 0.112 0.000 0.832 482 G HN 0.287 nan 8.290 nan 0.000 0.573 483 E N 0.018 120.356 120.200 0.230 0.000 2.265 483 E HA -0.082 4.268 4.350 -0.000 0.000 0.196 483 E C 1.677 178.358 176.600 0.135 0.000 0.996 483 E CA 1.302 57.836 56.400 0.223 0.000 0.832 483 E CB -0.020 29.790 29.700 0.183 0.000 0.756 483 E HN 0.445 nan 8.360 nan 0.000 0.491 484 K N -0.075 120.396 120.400 0.119 0.000 2.593 484 K HA 0.155 4.475 4.320 -0.000 0.000 0.208 484 K C -0.669 176.001 176.600 0.115 0.000 1.051 484 K CA -0.093 56.247 56.287 0.088 0.000 1.111 484 K CB 0.578 33.122 32.500 0.073 0.000 0.849 484 K HN 0.021 nan 8.250 nan 0.000 0.479 485 H N 0.867 119.937 119.070 -0.001 0.000 2.877 485 H HA 0.150 4.705 4.556 -0.000 0.000 0.347 485 H C -0.613 174.678 175.328 -0.060 0.000 1.042 485 H CA -1.085 54.949 56.048 -0.024 0.000 1.276 485 H CB 0.782 30.535 29.762 -0.015 0.000 1.681 485 H HN 0.119 nan 8.280 nan 0.000 0.521 486 N N 2.927 121.383 118.700 -0.407 0.000 2.374 486 N HA 0.072 4.812 4.740 -0.000 0.000 0.241 486 N C 0.514 175.850 175.510 -0.291 0.000 1.262 486 N CA 0.400 53.237 53.050 -0.355 0.000 0.880 486 N CB 0.795 39.058 38.487 -0.373 0.000 1.105 486 N HN 0.707 nan 8.380 nan 0.000 0.438 487 G N 0.252 108.900 108.800 -0.254 0.000 2.614 487 G HA2 0.248 4.208 3.960 -0.000 0.000 0.239 487 G HA3 0.248 4.208 3.960 -0.000 0.000 0.239 487 G C 0.441 175.123 174.900 -0.363 0.000 1.240 487 G CA 0.098 45.086 45.100 -0.187 0.000 0.842 487 G HN 0.933 nan 8.290 nan 0.000 0.584 488 T N -1.818 112.594 114.554 -0.237 0.000 2.701 488 T HA 0.277 4.626 4.350 -0.000 0.000 0.303 488 T C -0.543 173.787 174.700 -0.617 0.000 1.030 488 T CA 0.098 61.998 62.100 -0.335 0.000 1.010 488 T CB 0.477 69.229 68.868 -0.193 0.000 1.007 488 T HN 0.311 nan 8.240 nan 0.000 0.532 489 Y N -0.083 119.934 120.300 -0.472 0.000 2.335 489 Y HA 0.503 5.053 4.550 -0.000 0.000 0.338 489 Y C 0.235 175.825 175.900 -0.516 0.000 0.977 489 Y CA -1.422 56.324 58.100 -0.590 0.000 1.114 489 Y CB 1.225 39.100 38.460 -0.975 0.000 1.182 489 Y HN 0.593 nan 8.280 nan 0.000 0.463 490 L N 3.785 124.942 121.223 -0.110 0.000 2.525 490 L HA 0.094 4.433 4.340 -0.000 0.000 0.278 490 L C -0.530 176.405 176.870 0.110 0.000 1.218 490 L CA 0.091 54.915 54.840 -0.027 0.000 0.878 490 L CB -0.021 42.017 42.059 -0.035 0.000 1.127 490 L HN 0.763 nan 8.230 nan 0.000 0.492 491 C N 7.185 126.585 119.300 0.167 0.000 2.464 491 C HA 0.333 4.792 4.460 -0.000 0.000 0.370 491 C C -1.907 173.213 174.990 0.215 0.000 1.267 491 C CA -1.201 57.962 59.018 0.242 0.000 1.781 491 C CB -0.385 27.479 27.740 0.207 0.000 2.431 491 C HN 0.671 nan 8.230 nan 0.000 0.556 492 P HA 0.421 nan 4.420 nan 0.000 0.269 492 P C 0.765 178.190 177.300 0.208 0.000 1.209 492 P CA 1.352 64.578 63.100 0.211 0.000 0.776 492 P CB 0.550 32.406 31.700 0.260 0.000 0.876 493 G N 1.640 110.576 108.800 0.227 0.000 2.214 493 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.200 493 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.200 493 G C -1.261 173.823 174.900 0.307 0.000 1.126 493 G CA -0.556 44.694 45.100 0.250 0.000 1.284 493 G HN 0.530 nan 8.290 nan 0.000 0.493 494 Q N 0.444 120.438 119.800 0.323 0.000 2.306 494 Q HA 0.568 4.908 4.340 -0.000 0.000 0.265 494 Q C 0.325 176.499 176.000 0.289 0.000 1.022 494 Q CA -0.341 55.689 55.803 0.378 0.000 0.853 494 Q CB 2.164 31.149 28.738 0.412 0.000 1.327 494 Q HN 0.871 nan 8.270 nan 0.000 0.449 495 G N 0.705 109.592 108.800 0.143 0.000 2.562 495 G HA2 0.460 4.419 3.960 -0.000 0.000 0.275 495 G HA3 0.460 4.419 3.960 -0.000 0.000 0.275 495 G C -1.312 173.539 174.900 -0.083 0.000 1.196 495 G CA -0.421 44.461 45.100 -0.363 0.000 0.908 495 G HN 0.404 nan 8.290 nan 0.000 0.524 496 L N 0.659 121.811 121.223 -0.118 0.000 2.296 496 L HA 0.719 5.059 4.340 -0.000 0.000 0.286 496 L C 0.272 177.147 176.870 0.009 0.000 1.023 496 L CA -0.630 54.231 54.840 0.036 0.000 0.812 496 L CB 1.468 43.580 42.059 0.087 0.000 1.223 496 L HN 0.580 nan 8.230 nan 0.000 0.421 497 A N 5.774 128.644 122.820 0.082 0.000 2.322 497 A HA 0.574 4.893 4.320 -0.000 0.000 0.327 497 A C -0.640 176.985 177.584 0.068 0.000 1.394 497 A CA -0.578 51.503 52.037 0.072 0.000 0.921 497 A CB -0.099 18.979 19.000 0.130 0.000 1.153 497 A HN 0.646 nan 8.150 nan 0.000 0.523 498 L N 2.024 123.271 121.223 0.040 0.000 2.525 498 L HA 0.043 4.383 4.340 -0.000 0.000 0.278 498 L C 1.687 178.574 176.870 0.028 0.000 1.218 498 L CA 0.752 55.609 54.840 0.029 0.000 0.878 498 L CB 0.250 42.315 42.059 0.008 0.000 1.127 498 L HN 0.776 nan 8.230 nan 0.000 0.492 499 K N 0.588 121.003 120.400 0.025 0.000 2.217 499 K HA 0.027 4.346 4.320 -0.000 0.000 0.202 499 K C 0.758 177.366 176.600 0.013 0.000 1.051 499 K CA 0.919 57.220 56.287 0.023 0.000 0.952 499 K CB 0.169 32.681 32.500 0.020 0.000 0.736 499 K HN 0.559 nan 8.250 nan 0.000 0.453 500 S N 0.415 116.117 115.700 0.004 0.000 2.651 500 S HA 0.112 4.582 4.470 -0.000 0.000 0.246 500 S C -0.546 174.051 174.600 -0.005 0.000 1.039 500 S CA -0.475 57.724 58.200 -0.001 0.000 1.013 500 S CB 0.585 63.782 63.200 -0.007 0.000 0.861 500 S HN 0.309 nan 8.310 nan 0.000 0.485 501 S N 0.420 116.119 115.700 -0.002 0.000 2.880 501 S HA 0.419 4.889 4.470 -0.000 0.000 0.308 501 S C -0.378 174.220 174.600 -0.002 0.000 1.195 501 S CA -0.879 57.317 58.200 -0.006 0.000 0.866 501 S CB 0.663 63.855 63.200 -0.014 0.000 1.254 501 S HN 0.174 nan 8.310 nan 0.000 0.571 502 N N -0.447 118.248 118.700 -0.009 0.000 2.235 502 N HA 0.229 4.968 4.740 -0.000 0.000 0.209 502 N C -0.066 175.433 175.510 -0.018 0.000 1.122 502 N CA -0.253 52.791 53.050 -0.010 0.000 0.845 502 N CB 0.330 38.807 38.487 -0.016 0.000 1.004 502 N HN 0.391 nan 8.380 nan 0.000 0.499 503 R N 1.727 122.219 120.500 -0.014 0.000 2.347 503 R HA 0.235 4.575 4.340 -0.000 0.000 0.304 503 R C -0.865 175.433 176.300 -0.002 0.000 1.072 503 R CA 0.017 56.108 56.100 -0.015 0.000 0.980 503 R CB 0.339 30.634 30.300 -0.010 0.000 0.986 503 R HN 0.092 nan 8.270 nan 0.000 0.448 504 L N 6.283 127.502 121.223 -0.006 0.000 2.325 504 L HA 0.542 4.882 4.340 -0.000 0.000 0.278 504 L C -0.344 176.572 176.870 0.076 0.000 1.023 504 L CA -0.838 54.011 54.840 0.015 0.000 0.811 504 L CB 1.740 43.829 42.059 0.049 0.000 1.249 504 L HN 0.589 nan 8.230 nan 0.000 0.431 505 I N 2.090 122.667 120.570 0.013 0.000 2.499 505 I HA 0.368 4.538 4.170 -0.000 0.000 0.288 505 I C -1.218 174.864 176.117 -0.060 0.000 1.048 505 I CA -0.215 61.154 61.300 0.114 0.000 1.062 505 I CB 2.081 40.174 38.000 0.155 0.000 1.238 505 I HN 0.305 nan 8.210 nan 0.000 0.426 506 F N 4.464 124.576 119.950 0.270 0.000 2.427 506 F HA 0.624 5.151 4.527 -0.001 0.000 0.348 506 F C 0.640 176.510 175.800 0.118 0.000 1.125 506 F CA -0.637 57.465 58.000 0.171 0.000 0.989 506 F CB 1.796 40.847 39.000 0.085 0.000 1.165 506 F HN 0.446 nan 8.300 nan 0.000 0.442 507 A N 2.538 125.522 122.820 0.274 0.000 2.450 507 A HA 0.582 4.902 4.320 -0.000 0.000 0.255 507 A C 0.248 177.822 177.584 -0.017 0.000 1.096 507 A CA 0.010 52.072 52.037 0.042 0.000 0.778 507 A CB -0.039 18.966 19.000 0.009 0.000 1.031 507 A HN 0.763 nan 8.150 nan 0.000 0.494 508 T N -0.315 114.137 114.554 -0.169 0.000 2.916 508 T HA 0.717 5.067 4.350 -0.000 0.000 0.292 508 T C -0.664 173.961 174.700 -0.125 0.000 1.064 508 T CA -0.530 61.489 62.100 -0.135 0.000 1.011 508 T CB 1.286 70.037 68.868 -0.195 0.000 1.152 508 T HN 1.103 nan 8.240 nan 0.000 0.510 509 Y N -1.086 119.167 120.300 -0.078 0.000 2.485 509 Y HA 0.854 5.404 4.550 -0.000 0.000 0.345 509 Y C -0.042 175.896 175.900 0.063 0.000 0.998 509 Y CA -0.947 57.118 58.100 -0.059 0.000 1.059 509 Y CB 1.901 40.341 38.460 -0.032 0.000 1.234 509 Y HN 0.952 nan 8.280 nan 0.000 0.461 510 T N 0.446 115.113 114.554 0.189 0.000 2.669 510 T HA 0.376 4.726 4.350 -0.000 0.000 0.283 510 T C -0.915 173.944 174.700 0.264 0.000 1.019 510 T CA -0.705 61.531 62.100 0.227 0.000 1.039 510 T CB 1.254 70.232 68.868 0.183 0.000 1.374 510 T HN 0.840 nan 8.240 nan 0.000 0.523 511 S N -0.037 115.808 115.700 0.243 0.000 2.443 511 S HA 0.449 4.919 4.470 -0.000 0.000 0.284 511 S C 1.280 175.973 174.600 0.155 0.000 1.206 511 S CA 1.031 59.351 58.200 0.201 0.000 1.074 511 S CB -0.848 62.459 63.200 0.180 0.000 0.963 511 S HN 1.697 nan 8.310 nan 0.000 0.501 512 G N 3.349 112.236 108.800 0.145 0.000 2.157 512 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.248 512 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.248 512 G C -0.243 174.698 174.900 0.068 0.000 0.979 512 G CA 0.428 45.592 45.100 0.107 0.000 0.650 512 G HN 1.100 nan 8.290 nan 0.000 0.529 513 E N -1.029 119.206 120.200 0.059 0.000 2.407 513 E HA 0.660 5.010 4.350 -0.000 0.000 0.279 513 E C -0.954 175.592 176.600 -0.089 0.000 1.012 513 E CA -1.301 55.087 56.400 -0.020 0.000 0.800 513 E CB 0.816 30.495 29.700 -0.034 0.000 1.276 513 E HN 0.199 nan 8.360 nan 0.000 0.452 514 L N 1.671 122.745 121.223 -0.248 0.000 2.292 514 L HA 0.429 4.769 4.340 -0.000 0.000 0.284 514 L C -0.591 175.995 176.870 -0.473 0.000 1.065 514 L CA -0.457 54.100 54.840 -0.472 0.000 0.806 514 L CB 1.619 43.175 42.059 -0.839 0.000 1.175 514 L HN 0.678 nan 8.230 nan 0.000 0.431 515 T N 2.476 116.762 114.554 -0.447 0.000 2.977 515 T HA 0.353 4.703 4.350 -0.000 0.000 0.346 515 T C -0.621 173.882 174.700 -0.328 0.000 1.140 515 T CA -0.442 61.479 62.100 -0.298 0.000 1.040 515 T CB -0.120 68.634 68.868 -0.189 0.000 1.046 515 T HN 0.124 nan 8.240 nan 0.000 0.494 516 Y N 2.587 122.805 120.300 -0.136 0.000 2.402 516 Y HA 0.350 4.900 4.550 -0.000 0.000 0.333 516 Y C 0.685 176.561 175.900 -0.040 0.000 1.076 516 Y CA -1.038 57.026 58.100 -0.059 0.000 1.299 516 Y CB 0.272 38.748 38.460 0.027 0.000 1.197 516 Y HN 0.425 nan 8.280 nan 0.000 0.517 517 L N 5.728 127.010 121.223 0.099 0.000 2.276 517 L HA 0.485 4.825 4.340 -0.000 0.000 0.286 517 L C -0.406 176.748 176.870 0.472 0.000 1.061 517 L CA -0.281 54.610 54.840 0.084 0.000 0.807 517 L CB 0.681 42.556 42.059 -0.307 0.000 1.177 517 L HN 0.565 nan 8.230 nan 0.000 0.429 518 I N 2.381 123.247 120.570 0.495 0.000 2.466 518 I HA 0.305 4.475 4.170 -0.000 0.000 0.289 518 I C -0.338 175.798 176.117 0.031 0.000 1.026 518 I CA -0.143 61.322 61.300 0.275 0.000 1.078 518 I CB 2.169 40.273 38.000 0.174 0.000 1.249 518 I HN 0.505 nan 8.210 nan 0.000 0.429 519 S N 3.935 119.517 115.700 -0.196 0.000 2.532 519 S HA 0.391 4.861 4.470 -0.000 0.000 0.299 519 S C -0.306 174.160 174.600 -0.224 0.000 1.105 519 S CA -0.596 57.317 58.200 -0.477 0.000 1.018 519 S CB 1.149 63.706 63.200 -1.073 0.000 1.021 519 S HN 0.585 nan 8.310 nan 0.000 0.483 520 D N 2.476 122.775 120.400 -0.169 0.000 2.440 520 D HA 0.154 4.794 4.640 -0.000 0.000 0.216 520 D C -0.381 175.862 176.300 -0.095 0.000 1.150 520 D CA 0.152 54.094 54.000 -0.096 0.000 0.832 520 D CB 0.553 41.320 40.800 -0.056 0.000 0.992 520 D HN 0.707 nan 8.370 nan 0.000 0.502 521 D N -0.979 119.335 120.400 -0.143 0.000 2.945 521 D HA 0.042 4.681 4.640 -0.000 0.000 0.369 521 D C -0.089 176.141 176.300 -0.117 0.000 1.294 521 D CA -0.752 53.184 54.000 -0.106 0.000 0.778 521 D CB -0.077 40.674 40.800 -0.082 0.000 1.188 521 D HN -0.255 nan 8.370 nan 0.000 0.479 522 S N -0.554 115.083 115.700 -0.106 0.000 3.521 522 S HA -0.077 4.392 4.470 -0.000 0.000 0.328 522 S C 1.513 176.067 174.600 -0.076 0.000 1.165 522 S CA 1.220 59.387 58.200 -0.055 0.000 0.941 522 S CB -1.686 61.509 63.200 -0.009 0.000 0.951 522 S HN 1.544 nan 8.310 nan 0.000 0.539 523 G N -0.234 108.390 108.800 -0.292 0.000 2.213 523 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.236 523 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.236 523 G C 0.625 175.349 174.900 -0.292 0.000 0.991 523 G CA 0.666 45.487 45.100 -0.465 0.000 0.629 523 G HN 0.572 nan 8.290 nan 0.000 0.517 524 Q N 0.291 120.008 119.800 -0.138 0.000 2.045 524 Q HA -0.004 4.336 4.340 -0.000 0.000 0.206 524 Q C 1.558 177.577 176.000 0.032 0.000 0.991 524 Q CA 1.846 57.648 55.803 -0.002 0.000 0.851 524 Q CB -0.209 28.528 28.738 -0.001 0.000 0.911 524 Q HN 0.804 nan 8.270 nan 0.000 0.418 525 T N -2.897 111.603 114.554 -0.090 0.000 2.912 525 T HA 0.483 4.833 4.350 -0.000 0.000 0.288 525 T C -1.073 173.586 174.700 -0.069 0.000 1.030 525 T CA -0.890 61.225 62.100 0.025 0.000 1.020 525 T CB 1.823 70.709 68.868 0.029 0.000 1.056 525 T HN 0.172 nan 8.240 nan 0.000 0.480 526 W N 2.008 123.426 121.300 0.198 0.000 3.022 526 W HA 0.527 5.186 4.660 -0.000 0.000 0.335 526 W C -0.538 176.187 176.519 0.343 0.000 1.133 526 W CA -0.808 56.700 57.345 0.273 0.000 1.219 526 W CB 2.658 32.359 29.460 0.403 0.000 1.409 526 W HN 1.025 nan 8.180 nan 0.000 0.507 527 K N 1.885 122.566 120.400 0.470 0.000 2.400 527 K HA 0.693 5.013 4.320 -0.000 0.000 0.246 527 K C -0.869 175.882 176.600 0.251 0.000 0.995 527 K CA -0.815 55.694 56.287 0.369 0.000 0.840 527 K CB 2.768 35.396 32.500 0.212 0.000 1.293 527 K HN 0.400 nan 8.250 nan 0.000 0.445 528 K N 0.074 120.600 120.400 0.210 0.000 2.098 528 K HA 0.339 4.659 4.320 -0.000 0.000 0.258 528 K C -0.935 175.749 176.600 0.140 0.000 0.973 528 K CA -0.669 55.665 56.287 0.078 0.000 0.898 528 K CB 1.834 34.373 32.500 0.064 0.000 1.057 528 K HN 0.448 nan 8.250 nan 0.000 0.447 529 S N 1.720 117.529 115.700 0.180 0.000 2.756 529 S HA 0.271 4.741 4.470 -0.000 0.000 0.303 529 S C -1.116 173.651 174.600 0.278 0.000 1.135 529 S CA -0.697 57.660 58.200 0.261 0.000 1.066 529 S CB 0.872 64.288 63.200 0.360 0.000 1.008 529 S HN 0.625 nan 8.310 nan 0.000 0.482 530 S N 3.272 119.082 115.700 0.182 0.000 2.565 530 S HA 0.734 5.204 4.470 -0.000 0.000 0.274 530 S C -0.122 174.558 174.600 0.133 0.000 1.309 530 S CA -0.476 57.781 58.200 0.094 0.000 1.043 530 S CB 1.259 64.489 63.200 0.050 0.000 0.939 530 S HN 0.994 nan 8.310 nan 0.000 0.504 531 A N 2.564 125.387 122.820 0.005 0.000 2.411 531 A HA 0.597 4.917 4.320 -0.000 0.000 0.285 531 A C -0.056 177.501 177.584 -0.045 0.000 1.129 531 A CA -0.687 51.355 52.037 0.008 0.000 0.736 531 A CB 0.773 19.717 19.000 -0.093 0.000 1.186 531 A HN 0.613 nan 8.150 nan 0.000 0.445 532 S N 2.052 117.755 115.700 0.005 0.000 2.537 532 S HA 0.359 4.829 4.470 -0.000 0.000 0.286 532 S C 0.439 175.030 174.600 -0.016 0.000 1.299 532 S CA 0.136 58.333 58.200 -0.005 0.000 1.067 532 S CB -0.148 63.055 63.200 0.006 0.000 0.864 532 S HN 0.754 nan 8.310 nan 0.000 0.494 533 I N 0.984 121.549 120.570 -0.008 0.000 2.493 533 I HA 0.512 4.681 4.170 -0.000 0.000 0.298 533 I C -2.369 173.646 176.117 -0.171 0.000 0.998 533 I CA -2.979 58.322 61.300 0.001 0.000 1.137 533 I CB 1.942 40.091 38.000 0.247 0.000 1.310 533 I HN 0.294 nan 8.210 nan 0.000 0.445 534 P HA 0.246 nan 4.420 nan 0.000 0.246 534 P C -1.184 175.625 177.300 -0.817 0.000 1.686 534 P CA 0.308 63.064 63.100 -0.573 0.000 0.867 534 P CB -0.848 30.552 31.700 -0.500 0.000 1.733 535 F N -0.874 119.131 119.950 0.093 0.000 2.569 535 F HA 0.475 5.002 4.527 -0.000 0.000 0.312 535 F C 0.622 176.463 175.800 0.068 0.000 1.109 535 F CA -1.271 56.778 58.000 0.081 0.000 0.919 535 F CB 2.287 41.343 39.000 0.094 0.000 1.211 535 F HN -0.349 nan 8.300 nan 0.000 0.446 536 K N 1.827 122.356 120.400 0.216 0.000 2.143 536 K HA 0.258 4.578 4.320 -0.000 0.000 0.272 536 K C -0.056 176.641 176.600 0.162 0.000 1.001 536 K CA -0.414 55.967 56.287 0.157 0.000 0.915 536 K CB 0.708 33.273 32.500 0.108 0.000 1.047 536 K HN 0.877 nan 8.250 nan 0.000 0.458 537 N N 0.602 119.388 118.700 0.143 0.000 2.705 537 N HA -0.257 4.483 4.740 -0.000 0.000 0.255 537 N C -1.200 174.372 175.510 0.103 0.000 1.008 537 N CA 1.069 54.194 53.050 0.125 0.000 0.742 537 N CB -1.744 36.804 38.487 0.101 0.000 0.906 537 N HN 0.570 nan 8.380 nan 0.000 0.541 538 A N -0.293 122.594 122.820 0.113 0.000 2.316 538 A HA 0.613 4.933 4.320 -0.000 0.000 0.284 538 A C 0.626 178.163 177.584 -0.079 0.000 1.115 538 A CA -0.081 51.962 52.037 0.010 0.000 0.812 538 A CB 0.634 19.656 19.000 0.037 0.000 1.064 538 A HN 0.413 nan 8.150 nan 0.000 0.489 539 T N 2.519 116.944 114.554 -0.214 0.000 3.598 539 T HA 0.390 4.740 4.350 -0.000 0.000 0.343 539 T C 0.521 174.830 174.700 -0.651 0.000 1.697 539 T CA 0.451 62.238 62.100 -0.521 0.000 1.247 539 T CB -0.089 68.628 68.868 -0.253 0.000 1.210 539 T HN 0.829 nan 8.240 nan 0.000 0.820 540 A N 2.665 125.075 122.820 -0.683 0.000 3.077 540 A HA 0.240 4.559 4.320 -0.000 0.000 0.255 540 A C 0.570 177.999 177.584 -0.258 0.000 1.728 540 A CA -0.504 51.379 52.037 -0.256 0.000 1.383 540 A CB -0.510 18.458 19.000 -0.054 0.000 1.097 540 A HN 0.678 nan 8.150 nan 0.000 0.634 541 E N 1.074 121.100 120.200 -0.290 0.000 2.406 541 E HA 0.320 4.669 4.350 -0.000 0.000 0.258 541 E C 0.256 176.897 176.600 0.069 0.000 1.043 541 E CA 0.243 56.600 56.400 -0.071 0.000 0.929 541 E CB 0.555 30.194 29.700 -0.101 0.000 0.969 541 E HN 0.617 nan 8.360 nan 0.000 0.462 542 A N 4.430 127.315 122.820 0.108 0.000 2.355 542 A HA 0.447 4.766 4.320 -0.000 0.000 0.317 542 A C -0.775 176.922 177.584 0.189 0.000 1.094 542 A CA -0.830 51.298 52.037 0.152 0.000 0.764 542 A CB 1.287 20.267 19.000 -0.034 0.000 1.230 542 A HN 0.454 nan 8.150 nan 0.000 0.448 543 Q N 1.275 121.233 119.800 0.263 0.000 2.372 543 Q HA 0.591 4.930 4.340 -0.000 0.000 0.273 543 Q C -1.176 175.028 176.000 0.339 0.000 1.078 543 Q CA -0.215 55.756 55.803 0.280 0.000 0.806 543 Q CB 2.309 31.204 28.738 0.262 0.000 1.332 543 Q HN 0.847 nan 8.270 nan 0.000 0.435 544 M N 1.545 121.322 119.600 0.295 0.000 2.528 544 M HA 0.658 5.138 4.480 -0.000 0.000 0.321 544 M C -0.228 176.232 176.300 0.266 0.000 1.153 544 M CA -1.138 54.324 55.300 0.270 0.000 0.951 544 M CB 2.342 35.087 32.600 0.241 0.000 1.705 544 M HN 0.404 nan 8.290 nan 0.000 0.451 545 V N -0.921 119.143 119.914 0.250 0.000 2.735 545 V HA 0.583 4.703 4.120 -0.000 0.000 0.310 545 V C -0.944 175.235 176.094 0.143 0.000 1.061 545 V CA -0.674 61.759 62.300 0.221 0.000 0.913 545 V CB 1.898 33.907 31.823 0.309 0.000 1.005 545 V HN 0.958 nan 8.190 nan 0.000 0.428 546 E N 2.920 123.184 120.200 0.107 0.000 2.014 546 E HA 0.423 4.773 4.350 -0.000 0.000 0.275 546 E C 0.443 177.073 176.600 0.050 0.000 0.997 546 E CA -0.415 56.022 56.400 0.062 0.000 0.804 546 E CB 1.324 31.052 29.700 0.047 0.000 1.090 546 E HN 0.849 nan 8.360 nan 0.000 0.401 547 L N 3.981 125.226 121.223 0.037 0.000 2.093 547 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 547 L C 0.938 177.811 176.870 0.005 0.000 1.085 547 L CA 1.172 56.026 54.840 0.024 0.000 0.755 547 L CB -0.302 41.761 42.059 0.008 0.000 0.904 547 L HN 0.476 nan 8.230 nan 0.000 0.435 548 R N -2.271 118.226 120.500 -0.004 0.000 2.733 548 R HA 0.295 4.635 4.340 -0.000 0.000 0.272 548 R C -1.473 174.816 176.300 -0.017 0.000 1.029 548 R CA -1.082 55.011 56.100 -0.011 0.000 0.888 548 R CB 0.366 30.656 30.300 -0.018 0.000 1.251 548 R HN -0.283 nan 8.270 nan 0.000 0.464 549 D N 0.806 121.195 120.400 -0.018 0.000 2.581 549 D HA 0.159 4.798 4.640 -0.000 0.000 0.238 549 D C 1.311 177.588 176.300 -0.039 0.000 1.145 549 D CA 2.356 56.342 54.000 -0.023 0.000 0.866 549 D CB 0.683 41.470 40.800 -0.021 0.000 1.151 549 D HN 0.840 nan 8.370 nan 0.000 0.500 550 G N 1.399 110.170 108.800 -0.048 0.000 2.253 550 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.251 550 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.251 550 G C 0.350 175.186 174.900 -0.107 0.000 0.998 550 G CA 0.109 45.162 45.100 -0.078 0.000 0.621 550 G HN 0.534 nan 8.290 nan 0.000 0.524 551 V N 2.429 122.296 119.914 -0.078 0.000 2.334 551 V HA 0.564 4.684 4.120 -0.000 0.000 0.267 551 V C 0.448 176.508 176.094 -0.057 0.000 1.040 551 V CA -0.349 61.901 62.300 -0.083 0.000 0.866 551 V CB 1.081 32.871 31.823 -0.056 0.000 1.019 551 V HN 0.340 nan 8.190 nan 0.000 0.468 552 I N 5.259 125.776 120.570 -0.089 0.000 2.354 552 I HA 0.541 4.711 4.170 -0.000 0.000 0.292 552 I C 0.217 176.378 176.117 0.074 0.000 0.989 552 I CA -0.522 60.781 61.300 0.004 0.000 1.188 552 I CB 1.464 39.484 38.000 0.035 0.000 1.342 552 I HN 0.501 nan 8.210 nan 0.000 0.457 553 R N 4.246 124.781 120.500 0.057 0.000 2.338 553 R HA 0.483 4.822 4.340 -0.000 0.000 0.317 553 R C -0.950 175.284 176.300 -0.111 0.000 0.968 553 R CA -0.249 55.826 56.100 -0.042 0.000 0.849 553 R CB 1.248 31.395 30.300 -0.255 0.000 1.128 553 R HN 0.598 nan 8.270 nan 0.000 0.448 554 T N 5.480 120.036 114.554 0.003 0.000 2.767 554 T HA 0.376 4.725 4.350 -0.000 0.000 0.288 554 T C -0.791 173.885 174.700 -0.040 0.000 0.963 554 T CA -0.137 62.000 62.100 0.062 0.000 1.019 554 T CB 0.272 69.237 68.868 0.161 0.000 0.923 554 T HN 0.306 nan 8.240 nan 0.000 0.468 555 F N 4.050 124.227 119.950 0.378 0.000 2.421 555 F HA 0.720 5.246 4.527 -0.000 0.000 0.337 555 F C 0.014 176.036 175.800 0.370 0.000 1.105 555 F CA -1.340 56.852 58.000 0.320 0.000 1.049 555 F CB 0.914 40.024 39.000 0.183 0.000 1.139 555 F HN 0.575 nan 8.300 nan 0.000 0.479 556 F N -0.518 119.554 119.950 0.203 0.000 2.668 556 F HA 0.614 5.141 4.527 -0.000 0.000 0.309 556 F C -0.754 175.034 175.800 -0.020 0.000 1.117 556 F CA -1.666 56.367 58.000 0.055 0.000 0.951 556 F CB 1.374 40.372 39.000 -0.003 0.000 1.323 556 F HN 0.435 nan 8.300 nan 0.000 0.451 557 R N 1.418 121.934 120.500 0.027 0.000 2.543 557 R HA 0.597 4.937 4.340 -0.000 0.000 0.277 557 R C -0.581 175.593 176.300 -0.211 0.000 1.074 557 R CA 0.582 56.599 56.100 -0.138 0.000 1.076 557 R CB 1.010 31.217 30.300 -0.155 0.000 0.993 557 R HN 1.065 nan 8.270 nan 0.000 0.459 558 T N -1.032 113.310 114.554 -0.354 0.000 2.669 558 T HA 0.250 4.600 4.350 -0.000 0.000 0.283 558 T C 0.570 174.991 174.700 -0.465 0.000 1.019 558 T CA -0.243 61.488 62.100 -0.615 0.000 1.039 558 T CB 1.453 69.784 68.868 -0.894 0.000 1.374 558 T HN 0.588 nan 8.240 nan 0.000 0.523 559 T N -2.054 112.202 114.554 -0.498 0.000 3.134 559 T HA 0.196 4.546 4.350 -0.000 0.000 0.260 559 T C 1.405 176.000 174.700 -0.175 0.000 1.027 559 T CA 0.458 62.410 62.100 -0.246 0.000 0.913 559 T CB -0.723 68.075 68.868 -0.117 0.000 1.046 559 T HN 0.874 nan 8.240 nan 0.000 0.553 560 T N -2.275 112.153 114.554 -0.210 0.000 3.086 560 T HA 0.452 4.802 4.350 -0.000 0.000 0.250 560 T C 1.937 176.524 174.700 -0.188 0.000 1.074 560 T CA 0.425 62.431 62.100 -0.156 0.000 0.988 560 T CB -0.352 68.409 68.868 -0.178 0.000 0.988 560 T HN 0.796 nan 8.240 nan 0.000 0.530 561 G N 1.067 109.738 108.800 -0.214 0.000 2.148 561 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.254 561 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.254 561 G C -0.121 174.664 174.900 -0.192 0.000 0.981 561 G CA 0.363 45.332 45.100 -0.217 0.000 0.670 561 G HN 0.699 nan 8.290 nan 0.000 0.528 562 K N -0.747 119.548 120.400 -0.175 0.000 2.477 562 K HA 0.631 4.951 4.320 -0.000 0.000 0.255 562 K C -0.042 176.525 176.600 -0.055 0.000 0.952 562 K CA -1.093 55.133 56.287 -0.101 0.000 0.826 562 K CB 1.886 34.337 32.500 -0.082 0.000 1.331 562 K HN 0.112 nan 8.250 nan 0.000 0.437 563 I N 2.275 122.818 120.570 -0.045 0.000 2.529 563 I HA 0.153 4.323 4.170 -0.000 0.000 0.284 563 I C 0.403 176.503 176.117 -0.027 0.000 1.082 563 I CA 0.059 61.315 61.300 -0.074 0.000 1.406 563 I CB 1.282 39.233 38.000 -0.081 0.000 1.405 563 I HN 0.619 nan 8.210 nan 0.000 0.548 564 A N 6.413 129.018 122.820 -0.358 0.000 2.261 564 A HA 0.874 5.194 4.320 -0.000 0.000 0.323 564 A C -1.047 176.234 177.584 -0.505 0.000 1.107 564 A CA -0.271 51.349 52.037 -0.696 0.000 0.883 564 A CB 1.056 19.323 19.000 -1.223 0.000 1.251 564 A HN 0.726 nan 8.150 nan 0.000 0.502 565 Y N -2.519 117.541 120.300 -0.399 0.000 2.641 565 Y HA 0.672 5.222 4.550 -0.000 0.000 0.333 565 Y C -0.976 175.000 175.900 0.127 0.000 1.174 565 Y CA -1.359 56.718 58.100 -0.037 0.000 1.057 565 Y CB 0.796 39.206 38.460 -0.083 0.000 1.322 565 Y HN 0.961 nan 8.280 nan 0.000 0.457 566 M N 0.603 120.449 119.600 0.410 0.000 2.664 566 M HA 0.930 5.409 4.480 -0.000 0.000 0.279 566 M C -1.707 174.848 176.300 0.426 0.000 1.275 566 M CA -0.825 54.685 55.300 0.351 0.000 0.829 566 M CB 2.658 35.473 32.600 0.357 0.000 1.727 566 M HN 0.609 nan 8.290 nan 0.000 0.459 567 T N 0.816 115.600 114.554 0.383 0.000 2.879 567 T HA 0.466 4.816 4.350 -0.000 0.000 0.290 567 T C -0.994 173.704 174.700 -0.004 0.000 0.993 567 T CA -0.643 61.595 62.100 0.230 0.000 0.975 567 T CB 1.685 70.624 68.868 0.119 0.000 0.981 567 T HN 0.717 nan 8.240 nan 0.000 0.439 568 S N 1.726 117.138 115.700 -0.479 0.000 2.554 568 S HA 0.411 4.880 4.470 -0.000 0.000 0.278 568 S C 0.670 175.002 174.600 -0.448 0.000 1.242 568 S CA -0.752 56.923 58.200 -0.875 0.000 1.051 568 S CB 0.573 62.663 63.200 -1.851 0.000 0.986 568 S HN 0.665 nan 8.310 nan 0.000 0.502 569 R N 2.326 122.623 120.500 -0.338 0.000 2.509 569 R HA 0.232 4.572 4.340 -0.000 0.000 0.300 569 R C -0.397 175.777 176.300 -0.211 0.000 0.985 569 R CA 0.005 55.978 56.100 -0.211 0.000 1.092 569 R CB 0.272 30.491 30.300 -0.136 0.000 1.237 569 R HN 0.491 nan 8.270 nan 0.000 0.546 570 D N -0.346 119.873 120.400 -0.302 0.000 2.395 570 D HA 0.114 4.754 4.640 -0.000 0.000 0.213 570 D C -0.177 175.985 176.300 -0.231 0.000 1.110 570 D CA 0.156 54.003 54.000 -0.256 0.000 0.835 570 D CB 0.579 41.181 40.800 -0.329 0.000 0.965 570 D HN -0.157 nan 8.370 nan 0.000 0.505 571 S N -0.578 114.978 115.700 -0.239 0.000 3.587 571 S HA -0.165 4.305 4.470 -0.000 0.000 0.337 571 S C 1.361 175.831 174.600 -0.216 0.000 1.119 571 S CA 0.864 58.952 58.200 -0.187 0.000 0.976 571 S CB -1.384 61.752 63.200 -0.106 0.000 0.922 571 S HN 0.671 nan 8.310 nan 0.000 0.503 572 G N -0.402 108.140 108.800 -0.430 0.000 2.176 572 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.232 572 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.232 572 G C 0.563 175.312 174.900 -0.253 0.000 0.986 572 G CA 0.454 45.310 45.100 -0.406 0.000 0.643 572 G HN 0.525 nan 8.290 nan 0.000 0.522 573 E N 0.426 120.472 120.200 -0.257 0.000 2.047 573 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 573 E C 1.610 178.132 176.600 -0.131 0.000 0.987 573 E CA 1.823 58.151 56.400 -0.119 0.000 0.799 573 E CB -0.221 29.420 29.700 -0.099 0.000 0.752 573 E HN 0.855 nan 8.360 nan 0.000 0.449 574 T N -2.380 111.980 114.554 -0.324 0.000 2.907 574 T HA 0.544 4.894 4.350 -0.000 0.000 0.292 574 T C -1.028 173.345 174.700 -0.544 0.000 1.043 574 T CA -0.914 61.049 62.100 -0.229 0.000 1.003 574 T CB 1.421 70.224 68.868 -0.107 0.000 1.084 574 T HN 0.035 nan 8.240 nan 0.000 0.483 575 W N 0.910 122.205 121.300 -0.009 0.000 2.864 575 W HA 0.624 5.283 4.660 -0.000 0.000 0.343 575 W C 0.613 177.139 176.519 0.012 0.000 1.109 575 W CA -0.771 56.572 57.345 -0.002 0.000 1.192 575 W CB 2.034 31.517 29.460 0.039 0.000 1.426 575 W HN 1.016 nan 8.180 nan 0.000 0.529 576 S N 1.024 116.879 115.700 0.259 0.000 2.641 576 S HA 0.492 4.962 4.470 -0.000 0.000 0.261 576 S C 0.214 174.898 174.600 0.141 0.000 1.257 576 S CA -0.614 57.675 58.200 0.148 0.000 0.983 576 S CB 0.816 64.089 63.200 0.121 0.000 0.990 576 S HN 0.448 nan 8.310 nan 0.000 0.572 577 K N -0.374 120.069 120.400 0.071 0.000 2.132 577 K HA 0.398 4.718 4.320 -0.000 0.000 0.240 577 K C -0.728 175.865 176.600 -0.011 0.000 1.036 577 K CA -0.488 55.817 56.287 0.029 0.000 0.888 577 K CB 0.269 32.770 32.500 0.002 0.000 1.071 577 K HN 0.412 nan 8.250 nan 0.000 0.502 578 V N 1.761 121.631 119.914 -0.074 0.000 2.465 578 V HA 0.157 4.277 4.120 -0.000 0.000 0.279 578 V C -0.275 175.549 176.094 -0.449 0.000 1.045 578 V CA -0.036 62.142 62.300 -0.203 0.000 0.938 578 V CB 1.402 33.140 31.823 -0.142 0.000 0.986 578 V HN 0.738 nan 8.190 nan 0.000 0.467 579 S N 3.321 118.565 115.700 -0.761 0.000 2.751 579 S HA 0.820 5.290 4.470 -0.000 0.000 0.310 579 S C -1.446 172.501 174.600 -1.089 0.000 1.128 579 S CA -0.532 57.162 58.200 -0.843 0.000 0.931 579 S CB 1.591 64.327 63.200 -0.772 0.000 1.177 579 S HN 0.510 nan 8.310 nan 0.000 0.530 580 Y N -0.099 120.075 120.300 -0.210 0.000 2.536 580 Y HA 0.574 5.124 4.550 -0.000 0.000 0.347 580 Y C -0.282 175.745 175.900 0.212 0.000 1.000 580 Y CA -0.920 57.173 58.100 -0.011 0.000 1.051 580 Y CB 0.906 39.358 38.460 -0.013 0.000 1.259 580 Y HN 0.406 nan 8.280 nan 0.000 0.468 581 I N 3.248 124.040 120.570 0.369 0.000 2.342 581 I HA 0.213 4.382 4.170 -0.000 0.000 0.291 581 I C -0.696 175.509 176.117 0.146 0.000 1.010 581 I CA -0.413 61.060 61.300 0.288 0.000 1.308 581 I CB 0.638 38.693 38.000 0.092 0.000 1.400 581 I HN 0.520 nan 8.210 nan 0.000 0.488 582 D N 4.245 124.742 120.400 0.162 0.000 2.229 582 D HA 0.443 5.083 4.640 -0.000 0.000 0.249 582 D C 0.984 177.324 176.300 0.067 0.000 1.027 582 D CA 0.288 54.343 54.000 0.091 0.000 0.923 582 D CB 1.905 42.768 40.800 0.106 0.000 1.174 582 D HN 0.833 nan 8.370 nan 0.000 0.443 583 G N 0.520 109.333 108.800 0.022 0.000 2.234 583 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.235 583 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.235 583 G C 0.213 175.108 174.900 -0.008 0.000 0.997 583 G CA -0.149 44.962 45.100 0.019 0.000 0.623 583 G HN 0.474 nan 8.290 nan 0.000 0.514 584 I N 1.025 121.555 120.570 -0.066 0.000 2.433 584 I HA 0.476 4.645 4.170 -0.000 0.000 0.292 584 I C 0.069 176.115 176.117 -0.119 0.000 1.001 584 I CA -0.715 60.518 61.300 -0.112 0.000 1.119 584 I CB 1.936 39.813 38.000 -0.206 0.000 1.289 584 I HN 0.052 nan 8.210 nan 0.000 0.438 585 Q N 5.186 124.911 119.800 -0.124 0.000 2.245 585 Q HA 0.494 4.833 4.340 -0.000 0.000 0.256 585 Q C -1.029 174.873 176.000 -0.163 0.000 0.942 585 Q CA -0.655 55.067 55.803 -0.135 0.000 0.896 585 Q CB 2.370 31.033 28.738 -0.125 0.000 1.272 585 Q HN 0.517 nan 8.270 nan 0.000 0.442 586 Q N 0.449 120.134 119.800 -0.193 0.000 2.359 586 Q HA 0.377 4.717 4.340 -0.000 0.000 0.275 586 Q C -0.394 175.418 176.000 -0.313 0.000 1.082 586 Q CA -0.680 54.973 55.803 -0.251 0.000 0.849 586 Q CB 2.067 30.647 28.738 -0.264 0.000 1.377 586 Q HN 0.768 nan 8.270 nan 0.000 0.452 587 T N -1.906 112.375 114.554 -0.455 0.000 2.748 587 T HA -0.012 4.338 4.350 -0.000 0.000 0.304 587 T C 1.441 175.763 174.700 -0.631 0.000 1.041 587 T CA 0.141 61.874 62.100 -0.611 0.000 1.033 587 T CB 0.629 68.835 68.868 -1.103 0.000 0.995 587 T HN 0.736 nan 8.240 nan 0.000 0.536 588 S N 0.915 116.310 115.700 -0.508 0.000 2.383 588 S HA -0.210 4.260 4.470 -0.000 0.000 0.229 588 S C 1.873 176.270 174.600 -0.340 0.000 1.030 588 S CA 1.368 59.378 58.200 -0.317 0.000 1.002 588 S CB -1.215 61.907 63.200 -0.131 0.000 0.829 588 S HN 0.946 nan 8.310 nan 0.000 0.467 589 Y N 1.104 121.180 120.300 -0.374 0.000 2.420 589 Y HA 0.521 5.071 4.550 -0.000 0.000 0.292 589 Y C 1.374 176.981 175.900 -0.489 0.000 1.119 589 Y CA -0.642 57.155 58.100 -0.505 0.000 1.229 589 Y CB -1.108 36.752 38.460 -1.000 0.000 1.026 589 Y HN 0.508 nan 8.280 nan 0.000 0.554 590 G N 0.267 108.615 108.800 -0.753 0.000 2.796 590 G HA2 0.025 3.985 3.960 -0.000 0.000 0.571 590 G HA3 0.025 3.985 3.960 -0.000 0.000 0.571 590 G C -0.719 174.014 174.900 -0.279 0.000 1.370 590 G CA -0.328 44.491 45.100 -0.469 0.000 0.856 590 G HN 0.478 nan 8.290 nan 0.000 0.538 591 T N 0.528 114.970 114.554 -0.187 0.000 2.900 591 T HA 0.522 4.871 4.350 -0.000 0.000 0.303 591 T C -0.033 174.533 174.700 -0.223 0.000 1.142 591 T CA -0.369 61.685 62.100 -0.077 0.000 1.007 591 T CB 1.874 70.742 68.868 -0.001 0.000 1.156 591 T HN 0.878 nan 8.240 nan 0.000 0.490 592 Q N 1.728 121.208 119.800 -0.535 0.000 2.315 592 Q HA 0.196 4.536 4.340 -0.000 0.000 0.289 592 Q C -1.060 174.769 176.000 -0.285 0.000 1.044 592 Q CA 0.301 55.738 55.803 -0.609 0.000 0.920 592 Q CB 0.606 28.521 28.738 -1.372 0.000 1.214 592 Q HN 0.521 nan 8.270 nan 0.000 0.392 593 V N 3.877 123.708 119.914 -0.138 0.000 2.459 593 V HA 0.415 4.535 4.120 -0.000 0.000 0.295 593 V C -0.573 175.537 176.094 0.026 0.000 1.029 593 V CA -0.221 62.053 62.300 -0.043 0.000 0.874 593 V CB 2.099 33.904 31.823 -0.029 0.000 0.985 593 V HN 0.944 nan 8.190 nan 0.000 0.438 594 S N 5.017 120.748 115.700 0.052 0.000 2.537 594 S HA 0.961 5.430 4.470 -0.000 0.000 0.301 594 S C -0.510 174.143 174.600 0.089 0.000 1.092 594 S CA -0.326 57.938 58.200 0.107 0.000 1.048 594 S CB 2.008 65.291 63.200 0.139 0.000 1.053 594 S HN 1.504 nan 8.310 nan 0.000 0.501 595 A N 2.228 125.133 122.820 0.142 0.000 2.488 595 A HA 0.793 5.113 4.320 -0.000 0.000 0.298 595 A C -0.627 177.068 177.584 0.186 0.000 1.044 595 A CA -0.992 51.121 52.037 0.127 0.000 0.693 595 A CB 0.970 20.058 19.000 0.146 0.000 1.272 595 A HN 1.429 nan 8.150 nan 0.000 0.402 596 I N -1.382 119.286 120.570 0.164 0.000 2.934 596 I HA 0.815 4.985 4.170 -0.000 0.000 0.306 596 I C -0.754 175.472 176.117 0.182 0.000 1.110 596 I CA -1.162 60.240 61.300 0.171 0.000 1.019 596 I CB 2.271 40.365 38.000 0.157 0.000 1.227 596 I HN 0.436 nan 8.210 nan 0.000 0.434 597 K N 3.770 124.270 120.400 0.166 0.000 2.268 597 K HA 0.293 4.613 4.320 -0.000 0.000 0.276 597 K C -1.286 175.413 176.600 0.166 0.000 1.080 597 K CA -0.375 56.004 56.287 0.154 0.000 0.910 597 K CB 0.075 32.644 32.500 0.116 0.000 1.163 597 K HN 0.553 nan 8.250 nan 0.000 0.465 598 Y N 3.028 123.354 120.300 0.043 0.000 2.511 598 Y HA -0.008 4.542 4.550 -0.000 0.000 0.332 598 Y C 1.539 177.449 175.900 0.016 0.000 1.177 598 Y CA 0.707 58.827 58.100 0.033 0.000 1.422 598 Y CB 0.963 39.435 38.460 0.021 0.000 1.271 598 Y HN 0.816 nan 8.280 nan 0.000 0.550 599 S N 2.810 118.208 115.700 -0.503 0.000 2.428 599 S HA -0.035 4.435 4.470 -0.000 0.000 0.230 599 S C 0.403 174.763 174.600 -0.399 0.000 1.014 599 S CA 0.499 58.485 58.200 -0.357 0.000 0.957 599 S CB -0.058 62.983 63.200 -0.264 0.000 0.784 599 S HN 0.686 nan 8.310 nan 0.000 0.499 600 Q N 0.561 119.956 119.800 -0.674 0.000 2.204 600 Q HA 0.562 4.902 4.340 -0.000 0.000 0.254 600 Q C -0.471 175.499 176.000 -0.050 0.000 0.981 600 Q CA -0.611 54.968 55.803 -0.372 0.000 0.897 600 Q CB 1.339 29.817 28.738 -0.433 0.000 1.273 600 Q HN 0.396 nan 8.270 nan 0.000 0.464 601 L N 1.400 122.611 121.223 -0.019 0.000 2.350 601 L HA 0.477 4.817 4.340 -0.000 0.000 0.275 601 L C 0.051 176.965 176.870 0.073 0.000 1.099 601 L CA -0.379 54.482 54.840 0.034 0.000 0.808 601 L CB 0.533 42.592 42.059 0.001 0.000 1.149 601 L HN 0.389 nan 8.230 nan 0.000 0.442 602 I N 2.226 122.843 120.570 0.078 0.000 2.436 602 I HA 0.212 4.382 4.170 -0.000 0.000 0.289 602 I C -0.538 175.617 176.117 0.062 0.000 1.010 602 I CA -0.500 60.840 61.300 0.066 0.000 1.098 602 I CB 1.723 39.762 38.000 0.066 0.000 1.266 602 I HN 0.618 nan 8.210 nan 0.000 0.434 603 D N 5.053 125.486 120.400 0.055 0.000 2.811 603 D HA -0.210 4.429 4.640 -0.000 0.000 0.231 603 D C 1.164 177.482 176.300 0.029 0.000 1.157 603 D CA 1.737 55.770 54.000 0.054 0.000 0.716 603 D CB -1.106 39.749 40.800 0.091 0.000 1.077 603 D HN 1.137 nan 8.370 nan 0.000 0.428 604 G N -1.593 107.219 108.800 0.020 0.000 2.205 604 G HA2 -0.398 3.561 3.960 -0.000 0.000 0.261 604 G HA3 -0.398 3.561 3.960 -0.000 0.000 0.261 604 G C 0.390 175.292 174.900 0.003 0.000 0.980 604 G CA 0.913 46.018 45.100 0.007 0.000 0.632 604 G HN 0.502 nan 8.290 nan 0.000 0.533 605 K N 1.180 121.585 120.400 0.009 0.000 2.156 605 K HA 0.595 4.915 4.320 -0.000 0.000 0.250 605 K C 0.416 177.021 176.600 0.007 0.000 0.955 605 K CA -0.749 55.536 56.287 -0.002 0.000 0.855 605 K CB 0.978 33.468 32.500 -0.016 0.000 1.101 605 K HN 0.205 nan 8.250 nan 0.000 0.434 606 E N 0.860 121.058 120.200 -0.003 0.000 2.437 606 E HA 0.148 4.498 4.350 -0.000 0.000 0.263 606 E C -0.625 175.982 176.600 0.011 0.000 1.030 606 E CA 0.169 56.574 56.400 0.007 0.000 0.934 606 E CB 0.857 30.553 29.700 -0.006 0.000 0.943 606 E HN 0.580 nan 8.360 nan 0.000 0.444 607 A N 2.481 125.334 122.820 0.055 0.000 2.371 607 A HA 0.519 4.839 4.320 -0.000 0.000 0.311 607 A C -0.746 176.884 177.584 0.077 0.000 1.068 607 A CA -0.710 51.362 52.037 0.059 0.000 0.744 607 A CB 1.397 20.467 19.000 0.117 0.000 1.239 607 A HN 0.294 nan 8.150 nan 0.000 0.435 608 V N 3.486 123.409 119.914 0.016 0.000 2.459 608 V HA 0.436 4.556 4.120 -0.000 0.000 0.295 608 V C -0.276 175.883 176.094 0.109 0.000 1.029 608 V CA -0.235 62.108 62.300 0.072 0.000 0.874 608 V CB 1.391 33.249 31.823 0.058 0.000 0.985 608 V HN 0.746 nan 8.190 nan 0.000 0.438 609 I N 5.436 126.075 120.570 0.116 0.000 2.412 609 I HA 0.540 4.710 4.170 -0.000 0.000 0.296 609 I C -0.544 175.599 176.117 0.044 0.000 0.987 609 I CA -0.495 60.852 61.300 0.079 0.000 1.180 609 I CB 1.757 39.768 38.000 0.020 0.000 1.340 609 I HN 0.369 nan 8.210 nan 0.000 0.455 610 L N 4.603 125.809 121.223 -0.029 0.000 2.401 610 L HA 0.572 4.912 4.340 -0.000 0.000 0.266 610 L C -0.849 175.939 176.870 -0.136 0.000 0.991 610 L CA -0.232 54.506 54.840 -0.170 0.000 0.818 610 L CB 2.203 43.982 42.059 -0.466 0.000 1.321 610 L HN 0.632 nan 8.230 nan 0.000 0.413 611 S N 2.500 118.152 115.700 -0.080 0.000 2.594 611 S HA 0.791 5.261 4.470 -0.000 0.000 0.296 611 S C -0.910 173.700 174.600 0.017 0.000 1.124 611 S CA -0.216 57.982 58.200 -0.005 0.000 1.011 611 S CB 1.635 64.909 63.200 0.123 0.000 1.016 611 S HN 0.790 nan 8.310 nan 0.000 0.485 612 T N 4.454 118.994 114.554 -0.022 0.000 2.893 612 T HA 0.553 4.902 4.350 -0.000 0.000 0.337 612 T C -3.251 171.393 174.700 -0.094 0.000 1.587 612 T CA -1.101 60.995 62.100 -0.007 0.000 1.066 612 T CB 1.719 70.511 68.868 -0.128 0.000 1.414 612 T HN 0.463 nan 8.240 nan 0.000 0.488 613 P HA 0.268 nan 4.420 nan 0.000 0.271 613 P C -1.005 176.217 177.300 -0.129 0.000 1.216 613 P CA -0.236 62.835 63.100 -0.050 0.000 0.776 613 P CB 0.408 32.141 31.700 0.056 0.000 0.881 614 N N 1.312 119.921 118.700 -0.152 0.000 2.776 614 N HA 0.330 5.069 4.740 -0.000 0.000 0.245 614 N C -1.504 173.935 175.510 -0.118 0.000 1.121 614 N CA -0.164 52.804 53.050 -0.138 0.000 0.852 614 N CB -0.020 38.388 38.487 -0.132 0.000 1.142 614 N HN 0.316 nan 8.380 nan 0.000 0.514 615 S N 1.715 117.345 115.700 -0.116 0.000 2.558 615 S HA 0.336 4.806 4.470 -0.000 0.000 0.277 615 S C 0.150 174.675 174.600 -0.125 0.000 1.143 615 S CA -0.726 57.414 58.200 -0.100 0.000 0.865 615 S CB 0.712 63.871 63.200 -0.067 0.000 1.102 615 S HN 0.621 nan 8.310 nan 0.000 0.454 616 R N 1.422 121.856 120.500 -0.109 0.000 2.362 616 R HA 0.423 4.763 4.340 -0.000 0.000 0.227 616 R C 0.595 176.834 176.300 -0.101 0.000 0.905 616 R CA 0.287 56.310 56.100 -0.129 0.000 1.067 616 R CB -0.099 30.133 30.300 -0.114 0.000 1.078 616 R HN 0.305 nan 8.270 nan 0.000 0.516 617 S N -0.262 115.400 115.700 -0.063 0.000 2.511 617 S HA 0.357 4.826 4.470 -0.000 0.000 0.214 617 S C 0.535 175.149 174.600 0.024 0.000 0.997 617 S CA 0.264 58.456 58.200 -0.014 0.000 0.908 617 S CB 1.146 64.347 63.200 0.001 0.000 0.803 617 S HN 0.668 nan 8.310 nan 0.000 0.504 618 G N 0.854 109.655 108.800 0.002 0.000 2.320 618 G HA2 0.322 4.282 3.960 -0.000 0.000 0.296 618 G HA3 0.322 4.282 3.960 -0.000 0.000 0.296 618 G C -1.814 173.105 174.900 0.032 0.000 1.306 618 G CA -1.173 43.971 45.100 0.073 0.000 0.836 618 G HN 0.071 nan 8.290 nan 0.000 0.517 619 R N 1.213 121.770 120.500 0.095 0.000 2.608 619 R HA 0.383 4.723 4.340 -0.000 0.000 0.277 619 R C 0.211 176.569 176.300 0.098 0.000 1.341 619 R CA -0.041 56.110 56.100 0.084 0.000 1.199 619 R CB 0.007 30.373 30.300 0.111 0.000 1.156 619 R HN 0.646 nan 8.270 nan 0.000 0.558 620 K N -1.473 118.977 120.400 0.083 0.000 2.571 620 K HA 0.465 4.785 4.320 -0.000 0.000 0.289 620 K C -0.212 176.403 176.600 0.025 0.000 1.028 620 K CA -0.734 55.611 56.287 0.096 0.000 0.895 620 K CB 0.998 33.550 32.500 0.087 0.000 1.534 620 K HN 0.247 nan 8.250 nan 0.000 0.421 621 G N -0.022 108.775 108.800 -0.005 0.000 2.333 621 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.296 621 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.296 621 G C 0.327 175.090 174.900 -0.228 0.000 1.059 621 G CA -0.066 44.972 45.100 -0.102 0.000 1.050 621 G HN 0.942 nan 8.290 nan 0.000 0.508 622 G N -0.777 107.791 108.800 -0.387 0.000 2.441 622 G HA2 0.519 4.479 3.960 -0.000 0.000 0.243 622 G HA3 0.519 4.479 3.960 -0.000 0.000 0.243 622 G C -0.012 174.408 174.900 -0.800 0.000 1.281 622 G CA -0.054 44.429 45.100 -1.029 0.000 0.854 622 G HN 0.656 nan 8.290 nan 0.000 0.560 623 Q N 0.456 119.845 119.800 -0.685 0.000 2.359 623 Q HA 0.347 4.686 4.340 -0.000 0.000 0.274 623 Q C -0.771 175.065 176.000 -0.272 0.000 1.074 623 Q CA -0.765 54.808 55.803 -0.383 0.000 0.810 623 Q CB 2.824 31.433 28.738 -0.215 0.000 1.342 623 Q HN 0.422 nan 8.270 nan 0.000 0.427 624 L N 2.437 123.604 121.223 -0.093 0.000 2.265 624 L HA 0.462 4.802 4.340 -0.000 0.000 0.288 624 L C -0.541 176.304 176.870 -0.043 0.000 1.058 624 L CA -0.761 54.062 54.840 -0.029 0.000 0.809 624 L CB 0.785 42.879 42.059 0.058 0.000 1.179 624 L HN 0.289 nan 8.230 nan 0.000 0.429 625 V N 4.458 124.291 119.914 -0.134 0.000 2.435 625 V HA 0.370 4.490 4.120 -0.000 0.000 0.290 625 V C 0.136 176.238 176.094 0.013 0.000 1.030 625 V CA -0.687 61.489 62.300 -0.208 0.000 0.881 625 V CB 2.255 33.779 31.823 -0.499 0.000 0.983 625 V HN 0.407 nan 8.190 nan 0.000 0.445 626 V N 3.608 123.585 119.914 0.105 0.000 2.347 626 V HA 0.695 4.815 4.120 -0.000 0.000 0.280 626 V C 0.682 176.894 176.094 0.197 0.000 1.021 626 V CA -0.235 62.168 62.300 0.172 0.000 0.847 626 V CB 1.536 33.466 31.823 0.178 0.000 0.990 626 V HN 0.998 nan 8.190 nan 0.000 0.444 627 G N 5.268 114.108 108.800 0.067 0.000 2.422 627 G HA2 0.646 4.606 3.960 -0.000 0.000 0.317 627 G HA3 0.646 4.606 3.960 -0.000 0.000 0.317 627 G C -0.782 173.932 174.900 -0.310 0.000 1.210 627 G CA -0.610 44.237 45.100 -0.423 0.000 0.930 627 G HN 0.624 nan 8.290 nan 0.000 0.468 628 L N 2.775 123.840 121.223 -0.263 0.000 2.265 628 L HA 0.256 4.596 4.340 -0.000 0.000 0.288 628 L C 0.136 176.880 176.870 -0.210 0.000 1.058 628 L CA -0.941 53.800 54.840 -0.165 0.000 0.809 628 L CB 1.549 43.552 42.059 -0.093 0.000 1.179 628 L HN 0.140 nan 8.230 nan 0.000 0.429 629 V N 3.263 123.085 119.914 -0.153 0.000 2.470 629 V HA -0.011 4.108 4.120 -0.000 0.000 0.276 629 V C 0.713 176.747 176.094 -0.099 0.000 1.040 629 V CA -0.464 61.753 62.300 -0.138 0.000 1.008 629 V CB 0.700 32.470 31.823 -0.087 0.000 0.990 629 V HN 0.742 nan 8.190 nan 0.000 0.477 630 N N 4.772 123.411 118.700 -0.102 0.000 2.452 630 N HA 0.011 4.750 4.740 -0.000 0.000 0.266 630 N C 0.818 176.298 175.510 -0.050 0.000 1.209 630 N CA 0.233 53.242 53.050 -0.068 0.000 0.929 630 N CB 0.704 39.153 38.487 -0.063 0.000 1.063 630 N HN 0.660 nan 8.380 nan 0.000 0.472 631 K N 2.491 122.868 120.400 -0.039 0.000 2.439 631 K HA -0.007 4.313 4.320 -0.000 0.000 0.197 631 K C 0.971 177.556 176.600 -0.025 0.000 1.041 631 K CA 0.691 56.960 56.287 -0.030 0.000 0.970 631 K CB 0.397 32.882 32.500 -0.025 0.000 0.773 631 K HN 0.563 nan 8.250 nan 0.000 0.479 632 E N 0.805 120.990 120.200 -0.024 0.000 2.030 632 E HA -0.125 4.225 4.350 -0.000 0.000 0.189 632 E C 1.140 177.730 176.600 -0.016 0.000 0.974 632 E CA 1.282 57.671 56.400 -0.018 0.000 0.807 632 E CB 0.013 29.704 29.700 -0.016 0.000 0.771 632 E HN 0.470 nan 8.360 nan 0.000 0.451 633 D N -0.710 119.680 120.400 -0.017 0.000 2.398 633 D HA -0.012 4.628 4.640 -0.000 0.000 0.210 633 D C 0.048 176.341 176.300 -0.011 0.000 1.094 633 D CA 0.123 54.117 54.000 -0.010 0.000 0.839 633 D CB 0.252 41.051 40.800 -0.001 0.000 0.963 633 D HN -0.134 nan 8.370 nan 0.000 0.506 634 D N -0.291 120.094 120.400 -0.025 0.000 2.911 634 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 634 D C -0.055 176.214 176.300 -0.052 0.000 1.041 634 D CA 1.178 55.158 54.000 -0.034 0.000 1.013 634 D CB -1.727 39.062 40.800 -0.019 0.000 1.093 634 D HN 0.508 nan 8.370 nan 0.000 0.431 635 S N 0.121 115.793 115.700 -0.047 0.000 2.580 635 S HA 0.458 4.928 4.470 -0.000 0.000 0.266 635 S C 0.542 175.046 174.600 -0.161 0.000 1.354 635 S CA -0.348 57.811 58.200 -0.069 0.000 1.008 635 S CB 1.460 64.645 63.200 -0.026 0.000 0.898 635 S HN 0.279 nan 8.310 nan 0.000 0.555 636 I N 1.108 121.521 120.570 -0.261 0.000 2.465 636 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 636 I C -0.980 174.815 176.117 -0.535 0.000 1.014 636 I CA -0.686 60.310 61.300 -0.506 0.000 1.093 636 I CB 1.935 39.411 38.000 -0.874 0.000 1.267 636 I HN 0.668 nan 8.210 nan 0.000 0.431 637 D N 6.204 126.336 120.400 -0.447 0.000 2.412 637 D HA 0.210 4.850 4.640 -0.000 0.000 0.224 637 D C -1.173 174.929 176.300 -0.330 0.000 1.093 637 D CA -0.272 53.553 54.000 -0.291 0.000 0.850 637 D CB 0.495 41.195 40.800 -0.166 0.000 1.046 637 D HN 0.224 nan 8.370 nan 0.000 0.507 638 W N 4.608 125.866 121.300 -0.069 0.000 2.497 638 W HA 0.273 4.933 4.660 -0.000 0.000 0.354 638 W C 1.582 178.027 176.519 -0.124 0.000 1.111 638 W CA -0.644 56.629 57.345 -0.121 0.000 1.510 638 W CB 0.908 30.295 29.460 -0.122 0.000 1.466 638 W HN 0.444 nan 8.180 nan 0.000 0.409 639 K N 1.739 122.128 120.400 -0.018 0.000 2.365 639 K HA 0.085 4.404 4.320 -0.000 0.000 0.195 639 K C -0.512 175.851 176.600 -0.394 0.000 1.079 639 K CA 0.486 56.615 56.287 -0.263 0.000 0.979 639 K CB 0.370 32.578 32.500 -0.488 0.000 0.929 639 K HN 0.288 nan 8.250 nan 0.000 0.523 640 Y N -0.150 120.190 120.300 0.066 0.000 2.425 640 Y HA 0.333 4.883 4.550 -0.000 0.000 0.344 640 Y C -1.000 174.907 175.900 0.012 0.000 0.969 640 Y CA -1.114 57.037 58.100 0.084 0.000 1.052 640 Y CB 1.625 40.107 38.460 0.036 0.000 1.215 640 Y HN -0.042 nan 8.280 nan 0.000 0.451 641 H N 1.647 120.821 119.070 0.173 0.000 2.685 641 H HA 0.227 4.783 4.556 -0.000 0.000 0.307 641 H C -1.509 173.870 175.328 0.086 0.000 1.017 641 H CA -0.930 55.164 56.048 0.076 0.000 1.237 641 H CB 0.576 30.332 29.762 -0.010 0.000 1.409 641 H HN 0.627 nan 8.280 nan 0.000 0.488 642 Y N 4.178 124.496 120.300 0.030 0.000 2.327 642 Y HA 0.128 4.678 4.550 -0.000 0.000 0.336 642 Y C -0.120 175.742 175.900 -0.063 0.000 1.035 642 Y CA -1.273 56.816 58.100 -0.019 0.000 1.165 642 Y CB 0.770 39.197 38.460 -0.055 0.000 1.181 642 Y HN 0.616 nan 8.280 nan 0.000 0.494 643 D N 7.498 127.407 120.400 -0.819 0.000 2.367 643 D HA -0.009 4.630 4.640 -0.000 0.000 0.255 643 D C 1.198 176.905 176.300 -0.988 0.000 1.300 643 D CA 0.079 53.630 54.000 -0.748 0.000 0.959 643 D CB 0.879 41.392 40.800 -0.479 0.000 1.064 643 D HN 0.577 nan 8.370 nan 0.000 0.509 644 I N 0.526 120.728 120.570 -0.613 0.000 2.286 644 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 644 I C 1.027 177.131 176.117 -0.021 0.000 1.115 644 I CA 1.497 62.650 61.300 -0.245 0.000 1.392 644 I CB -0.565 37.255 38.000 -0.301 0.000 1.065 644 I HN 0.476 nan 8.210 nan 0.000 0.418 645 D N -1.449 118.877 120.400 -0.124 0.000 2.946 645 D HA 0.325 4.965 4.640 -0.000 0.000 0.337 645 D C -0.709 175.506 176.300 -0.141 0.000 1.332 645 D CA -0.595 53.376 54.000 -0.048 0.000 0.935 645 D CB 0.863 41.617 40.800 -0.077 0.000 1.440 645 D HN -0.205 nan 8.370 nan 0.000 0.540 646 L N 1.598 122.686 121.223 -0.224 0.000 2.485 646 L HA 0.180 4.520 4.340 -0.000 0.000 0.275 646 L C -1.300 175.488 176.870 -0.136 0.000 1.207 646 L CA -1.157 53.524 54.840 -0.265 0.000 0.855 646 L CB 0.095 41.830 42.059 -0.539 0.000 1.114 646 L HN 0.327 nan 8.230 nan 0.000 0.485 647 P HA -0.194 nan 4.420 nan 0.000 0.218 647 P C 1.257 178.558 177.300 0.002 0.000 1.146 647 P CA 1.399 64.459 63.100 -0.066 0.000 0.820 647 P CB 0.152 31.812 31.700 -0.067 0.000 0.778 648 S N -4.349 111.380 115.700 0.048 0.000 2.548 648 S HA 0.029 4.499 4.470 -0.000 0.000 0.215 648 S C 0.386 175.173 174.600 0.311 0.000 0.976 648 S CA -0.081 58.211 58.200 0.153 0.000 0.908 648 S CB -0.658 62.642 63.200 0.167 0.000 0.781 648 S HN -0.036 nan 8.310 nan 0.000 0.519 649 Y N 2.756 123.055 120.300 -0.001 0.000 2.320 649 Y HA 0.641 5.190 4.550 -0.000 0.000 0.334 649 Y C 1.198 177.110 175.900 0.020 0.000 1.055 649 Y CA -1.679 56.419 58.100 -0.003 0.000 1.143 649 Y CB 0.408 38.840 38.460 -0.047 0.000 1.193 649 Y HN 0.213 nan 8.280 nan 0.000 0.477 650 G N 2.729 111.605 108.800 0.126 0.000 2.321 650 G HA2 0.102 4.062 3.960 -0.000 0.000 0.237 650 G HA3 0.102 4.062 3.960 -0.000 0.000 0.237 650 G C -1.519 173.519 174.900 0.230 0.000 1.282 650 G CA 0.271 45.450 45.100 0.131 0.000 0.886 650 G HN 0.635 nan 8.290 nan 0.000 0.528 651 Y N 1.706 122.050 120.300 0.074 0.000 2.390 651 Y HA 0.514 5.064 4.550 -0.000 0.000 0.324 651 Y C 0.091 176.049 175.900 0.096 0.000 1.151 651 Y CA -0.105 58.072 58.100 0.127 0.000 1.053 651 Y CB 1.306 39.788 38.460 0.036 0.000 1.277 651 Y HN 0.847 nan 8.280 nan 0.000 0.432 652 A N 3.248 126.070 122.820 0.002 0.000 3.191 652 A HA 0.509 4.829 4.320 -0.000 0.000 0.191 652 A C -1.432 176.249 177.584 0.161 0.000 1.221 652 A CA -0.299 51.802 52.037 0.107 0.000 1.399 652 A CB -0.126 18.876 19.000 0.004 0.000 1.688 652 A HN 0.566 nan 8.150 nan 0.000 0.593 653 Y N 1.497 121.781 120.300 -0.027 0.000 2.578 653 Y HA 0.400 4.950 4.550 -0.000 0.000 0.339 653 Y C 1.112 177.016 175.900 0.005 0.000 1.231 653 Y CA 0.297 58.411 58.100 0.023 0.000 1.461 653 Y CB 0.434 38.928 38.460 0.056 0.000 1.323 653 Y HN 0.657 nan 8.280 nan 0.000 0.590 654 S N 0.673 116.477 115.700 0.172 0.000 2.550 654 S HA 0.923 5.393 4.470 -0.000 0.000 0.270 654 S C -1.381 173.342 174.600 0.205 0.000 1.145 654 S CA -0.715 57.591 58.200 0.176 0.000 0.852 654 S CB 1.755 65.060 63.200 0.175 0.000 1.119 654 S HN 0.938 nan 8.310 nan 0.000 0.465 655 A N 2.033 125.001 122.820 0.246 0.000 2.356 655 A HA 0.850 5.170 4.320 -0.000 0.000 0.310 655 A C -0.377 177.368 177.584 0.268 0.000 1.075 655 A CA -0.934 51.254 52.037 0.252 0.000 0.746 655 A CB 0.525 19.685 19.000 0.267 0.000 1.221 655 A HN 1.582 nan 8.150 nan 0.000 0.443 656 I N -1.125 119.589 120.570 0.240 0.000 2.892 656 I HA 0.965 5.135 4.170 -0.000 0.000 0.306 656 I C -0.477 175.775 176.117 0.225 0.000 1.078 656 I CA -0.589 60.851 61.300 0.234 0.000 1.032 656 I CB 2.538 40.649 38.000 0.186 0.000 1.229 656 I HN 0.493 nan 8.210 nan 0.000 0.435 657 T N 1.516 116.209 114.554 0.231 0.000 2.886 657 T HA 0.201 4.551 4.350 -0.000 0.000 0.330 657 T C -1.643 173.188 174.700 0.218 0.000 1.488 657 T CA -0.533 61.687 62.100 0.200 0.000 1.054 657 T CB 1.752 70.746 68.868 0.210 0.000 1.348 657 T HN 0.876 nan 8.240 nan 0.000 0.489 658 E N 3.791 124.108 120.200 0.195 0.000 2.180 658 E HA 0.420 4.769 4.350 -0.000 0.000 0.283 658 E C -0.340 176.368 176.600 0.180 0.000 1.061 658 E CA -0.436 56.110 56.400 0.243 0.000 0.861 658 E CB 0.418 30.272 29.700 0.257 0.000 1.056 658 E HN 0.475 nan 8.360 nan 0.000 0.407 659 L N 6.151 127.495 121.223 0.202 0.000 2.452 659 L HA 0.163 4.503 4.340 -0.000 0.000 0.267 659 L C -1.483 175.402 176.870 0.025 0.000 1.188 659 L CA -1.709 53.208 54.840 0.128 0.000 0.821 659 L CB 0.299 42.449 42.059 0.152 0.000 1.102 659 L HN 0.544 nan 8.230 nan 0.000 0.470 660 P HA -0.190 nan 4.420 nan 0.000 0.218 660 P C 0.519 177.639 177.300 -0.301 0.000 1.146 660 P CA 1.305 64.324 63.100 -0.135 0.000 0.820 660 P CB -0.089 31.550 31.700 -0.101 0.000 0.778 661 N N -2.099 116.470 118.700 -0.218 0.000 2.370 661 N HA -0.095 4.644 4.740 -0.000 0.000 0.198 661 N C 0.036 175.493 175.510 -0.088 0.000 1.156 661 N CA -0.009 52.908 53.050 -0.223 0.000 0.839 661 N CB -1.203 37.198 38.487 -0.144 0.000 0.989 661 N HN 0.236 nan 8.380 nan 0.000 0.468 662 H N -2.123 117.054 119.070 0.178 0.000 3.237 662 H HA -0.176 4.380 4.556 -0.000 0.000 0.231 662 H C -0.429 175.116 175.328 0.362 0.000 1.148 662 H CA 0.857 57.048 56.048 0.239 0.000 1.155 662 H CB -2.609 27.249 29.762 0.161 0.000 1.210 662 H HN 0.597 nan 8.280 nan 0.000 0.317 663 H N 0.175 119.362 119.070 0.196 0.000 2.544 663 H HA 0.332 4.888 4.556 -0.000 0.000 0.365 663 H C 1.014 176.448 175.328 0.178 0.000 1.268 663 H CA -0.554 55.586 56.048 0.152 0.000 1.400 663 H CB 1.179 31.006 29.762 0.108 0.000 1.538 663 H HN -0.044 nan 8.280 nan 0.000 0.597 664 I N 1.244 121.945 120.570 0.218 0.000 2.378 664 I HA 0.176 4.345 4.170 -0.000 0.000 0.291 664 I C 0.824 177.055 176.117 0.190 0.000 0.992 664 I CA -0.270 61.136 61.300 0.177 0.000 1.154 664 I CB 1.111 39.143 38.000 0.053 0.000 1.315 664 I HN 0.574 nan 8.210 nan 0.000 0.448 665 G N 5.687 114.643 108.800 0.260 0.000 2.332 665 G HA2 0.557 4.517 3.960 -0.000 0.000 0.310 665 G HA3 0.557 4.517 3.960 -0.000 0.000 0.310 665 G C -0.708 174.331 174.900 0.232 0.000 1.123 665 G CA -0.272 44.995 45.100 0.278 0.000 0.873 665 G HN 0.346 nan 8.290 nan 0.000 0.460 666 V N 3.112 123.070 119.914 0.074 0.000 2.409 666 V HA 0.463 4.583 4.120 -0.000 0.000 0.291 666 V C -0.537 175.783 176.094 0.377 0.000 1.020 666 V CA -0.859 61.595 62.300 0.256 0.000 0.848 666 V CB 1.388 33.368 31.823 0.261 0.000 0.990 666 V HN 0.615 nan 8.190 nan 0.000 0.430 667 L N 7.443 128.935 121.223 0.448 0.000 2.319 667 L HA 0.833 5.173 4.340 -0.000 0.000 0.281 667 L C -0.833 176.241 176.870 0.340 0.000 1.005 667 L CA -0.132 54.934 54.840 0.377 0.000 0.828 667 L CB 0.969 43.205 42.059 0.295 0.000 1.227 667 L HN 0.643 nan 8.230 nan 0.000 0.415 668 F N 0.953 120.935 119.950 0.054 0.000 2.645 668 F HA 0.640 5.166 4.527 -0.000 0.000 0.310 668 F C -0.664 175.087 175.800 -0.082 0.000 1.102 668 F CA -1.026 56.908 58.000 -0.109 0.000 0.952 668 F CB 1.230 39.990 39.000 -0.400 0.000 1.326 668 F HN 0.345 nan 8.300 nan 0.000 0.456 669 E N 1.819 121.995 120.200 -0.039 0.000 2.129 669 E HA 0.106 4.456 4.350 -0.000 0.000 0.283 669 E C -0.564 176.064 176.600 0.046 0.000 1.080 669 E CA -0.424 55.996 56.400 0.033 0.000 0.867 669 E CB 1.065 30.879 29.700 0.189 0.000 1.056 669 E HN 0.472 nan 8.360 nan 0.000 0.404 670 K N 5.275 125.620 120.400 -0.092 0.000 3.006 670 K HA 0.068 4.387 4.320 -0.000 0.000 0.265 670 K C -1.339 175.350 176.600 0.148 0.000 1.279 670 K CA 0.015 56.302 56.287 -0.001 0.000 1.229 670 K CB -0.284 32.051 32.500 -0.275 0.000 1.555 670 K HN 0.530 nan 8.250 nan 0.000 0.300 671 Y N -2.653 117.625 120.300 -0.036 0.000 2.774 671 Y HA 0.192 4.741 4.550 -0.000 0.000 0.346 671 Y C -1.663 174.255 175.900 0.030 0.000 1.222 671 Y CA -1.566 56.519 58.100 -0.026 0.000 1.088 671 Y CB 0.732 39.159 38.460 -0.055 0.000 1.354 671 Y HN -0.071 nan 8.280 nan 0.000 0.455 672 D N 2.008 122.311 120.400 -0.160 0.000 2.393 672 D HA 0.146 4.785 4.640 -0.000 0.000 0.232 672 D C 0.579 176.574 176.300 -0.508 0.000 1.192 672 D CA 0.456 54.323 54.000 -0.221 0.000 0.882 672 D CB 1.213 42.011 40.800 -0.002 0.000 1.038 672 D HN 0.672 nan 8.370 nan 0.000 0.499 673 S N 3.059 118.324 115.700 -0.726 0.000 2.701 673 S HA -0.009 4.461 4.470 -0.000 0.000 0.220 673 S C 1.350 175.846 174.600 -0.174 0.000 0.954 673 S CA -0.643 57.137 58.200 -0.700 0.000 0.936 673 S CB -0.194 62.602 63.200 -0.674 0.000 0.777 673 S HN 0.681 nan 8.310 nan 0.000 0.518 674 W N 1.772 122.921 121.300 -0.251 0.000 2.777 674 W HA 0.363 5.022 4.660 -0.000 0.000 0.260 674 W C 0.546 176.938 176.519 -0.210 0.000 1.194 674 W CA 0.069 57.279 57.345 -0.225 0.000 1.447 674 W CB -0.063 29.256 29.460 -0.236 0.000 1.009 674 W HN 0.372 nan 8.180 nan 0.000 0.613 675 S N 2.238 117.941 115.700 0.004 0.000 2.549 675 S HA 0.028 4.497 4.470 -0.000 0.000 0.286 675 S C 1.128 175.651 174.600 -0.129 0.000 1.314 675 S CA -0.094 58.084 58.200 -0.038 0.000 1.062 675 S CB 0.807 64.021 63.200 0.024 0.000 0.865 675 S HN 0.127 nan 8.310 nan 0.000 0.498 676 R N 3.599 124.013 120.500 -0.143 0.000 2.307 676 R HA 0.044 4.384 4.340 -0.000 0.000 0.199 676 R C 1.296 177.541 176.300 -0.091 0.000 1.000 676 R CA 0.603 56.617 56.100 -0.143 0.000 1.023 676 R CB -1.317 28.903 30.300 -0.133 0.000 0.908 676 R HN 0.727 nan 8.270 nan 0.000 0.473 677 N N 1.118 119.787 118.700 -0.053 0.000 2.395 677 N HA -0.052 4.688 4.740 -0.000 0.000 0.175 677 N C 0.301 175.802 175.510 -0.015 0.000 1.029 677 N CA 0.556 53.592 53.050 -0.023 0.000 0.897 677 N CB 0.458 38.948 38.487 0.004 0.000 0.991 677 N HN 0.192 nan 8.380 nan 0.000 0.441 678 E N 0.180 120.376 120.200 -0.005 0.000 2.499 678 E HA 0.122 4.471 4.350 -0.000 0.000 0.207 678 E C -0.453 176.168 176.600 0.035 0.000 1.034 678 E CA -0.205 56.232 56.400 0.061 0.000 1.098 678 E CB 0.478 30.278 29.700 0.167 0.000 1.148 678 E HN 0.360 nan 8.360 nan 0.000 0.447 679 L N 0.586 121.707 121.223 -0.170 0.000 2.452 679 L HA 0.144 4.484 4.340 -0.000 0.000 0.267 679 L C 0.266 176.876 176.870 -0.434 0.000 1.188 679 L CA 0.077 54.624 54.840 -0.488 0.000 0.821 679 L CB -0.238 41.224 42.059 -0.996 0.000 1.102 679 L HN 0.433 nan 8.230 nan 0.000 0.470 680 H N 0.635 119.557 119.070 -0.247 0.000 2.819 680 H HA -0.127 4.429 4.556 -0.000 0.000 0.315 680 H C -1.084 174.237 175.328 -0.012 0.000 1.242 680 H CA -0.335 55.480 56.048 -0.388 0.000 1.157 680 H CB -1.911 27.630 29.762 -0.369 0.000 1.451 680 H HN 0.301 nan 8.280 nan 0.000 0.430 681 L N 0.391 121.628 121.223 0.024 0.000 2.295 681 L HA 0.496 4.836 4.340 -0.000 0.000 0.285 681 L C 0.496 177.396 176.870 0.049 0.000 1.035 681 L CA -0.617 54.232 54.840 0.014 0.000 0.806 681 L CB 1.834 43.779 42.059 -0.191 0.000 1.214 681 L HN 0.113 nan 8.230 nan 0.000 0.426 682 S N 1.813 117.543 115.700 0.051 0.000 2.562 682 S HA 0.243 4.713 4.470 -0.000 0.000 0.275 682 S C 0.109 174.686 174.600 -0.039 0.000 1.281 682 S CA -0.479 57.694 58.200 -0.045 0.000 1.045 682 S CB 0.696 63.830 63.200 -0.110 0.000 0.962 682 S HN 0.764 nan 8.310 nan 0.000 0.503 683 N N 0.315 119.010 118.700 -0.010 0.000 2.727 683 N HA -0.129 4.611 4.740 -0.000 0.000 0.251 683 N C 0.373 175.816 175.510 -0.112 0.000 1.040 683 N CA 0.964 54.001 53.050 -0.021 0.000 0.712 683 N CB -1.852 36.647 38.487 0.021 0.000 0.912 683 N HN 0.515 nan 8.380 nan 0.000 0.545 684 V N -4.859 114.952 119.914 -0.171 0.000 3.523 684 V HA 0.252 4.371 4.120 -0.000 0.000 0.255 684 V C 0.948 176.893 176.094 -0.249 0.000 1.226 684 V CA 0.113 62.261 62.300 -0.253 0.000 1.092 684 V CB 0.566 32.159 31.823 -0.384 0.000 0.817 684 V HN 0.025 nan 8.190 nan 0.000 0.458 685 V N 3.488 123.300 119.914 -0.169 0.000 2.403 685 V HA 0.280 4.399 4.120 -0.000 0.000 0.265 685 V C -0.031 175.934 176.094 -0.215 0.000 1.034 685 V CA 0.538 62.737 62.300 -0.167 0.000 1.036 685 V CB -0.479 31.325 31.823 -0.031 0.000 1.032 685 V HN 0.671 nan 8.190 nan 0.000 0.478 686 Q N 3.336 122.907 119.800 -0.383 0.000 2.413 686 Q HA 0.508 4.848 4.340 -0.000 0.000 0.276 686 Q C -1.365 174.585 176.000 -0.083 0.000 1.099 686 Q CA -0.903 54.758 55.803 -0.236 0.000 0.814 686 Q CB 2.940 31.494 28.738 -0.307 0.000 1.379 686 Q HN 0.683 nan 8.270 nan 0.000 0.436 687 Y N 2.767 123.076 120.300 0.015 0.000 2.320 687 Y HA 0.558 5.108 4.550 -0.000 0.000 0.334 687 Y C -0.695 175.378 175.900 0.290 0.000 1.055 687 Y CA -0.705 57.478 58.100 0.139 0.000 1.143 687 Y CB 0.607 39.076 38.460 0.014 0.000 1.193 687 Y HN 0.581 nan 8.280 nan 0.000 0.477 688 I N 2.395 122.806 120.570 -0.266 0.000 3.002 688 I HA 0.580 4.750 4.170 -0.000 0.000 0.310 688 I C -1.488 174.395 176.117 -0.391 0.000 1.087 688 I CA -1.017 60.175 61.300 -0.179 0.000 1.017 688 I CB 2.468 40.573 38.000 0.176 0.000 1.226 688 I HN 0.475 nan 8.210 nan 0.000 0.443 689 D N 4.127 124.494 120.400 -0.055 0.000 2.502 689 D HA 0.580 5.220 4.640 -0.000 0.000 0.249 689 D C -1.517 174.858 176.300 0.124 0.000 1.092 689 D CA -0.274 53.765 54.000 0.064 0.000 0.839 689 D CB 2.119 43.035 40.800 0.193 0.000 1.264 689 D HN 0.592 nan 8.370 nan 0.000 0.511 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