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 1r9m_1_B DATA FIRST_RESID 34 DATA SEQUENCE HHHHHSRKTY TLTDYLKNTY RLKLYSLRWI SDHEYLYKQE NNILVFNAEY DATA SEQUENCE GNSSVFLENS TFDEFGHSIN DYSISPDGQF ILLEYNYVKQ WRHSYTASYD DATA SEQUENCE IYDLNKRQLI TEERIPNNTQ WVTWSPVGHK LAYVWNNDIY VKIEPNLPSY DATA SEQUENCE RITWTGKEDI IYNGITDWVY EEEVFSAYSA LWWSPNGTFL AYAQFNDTEV DATA SEQUENCE PLIEYSFYSD ESLQYPKTVR VPYPKAGAVN PTVKFFVVNT DSLSSVTNAT DATA SEQUENCE SIQITAPASM LIGDHYLCDV TWATQERISL QWLRRIQNYS VMDIcDYDES DATA SEQUENCE SGRWNcLVAR QHIEMSTTGW VGRFRPSEPH FTLDGNSFYK IISNEEGYRH DATA SEQUENCE IcYFQIDKKD cTFITKGTWE VIGIEALTSD YLYYISNEYK GMPGGRNLYK DATA SEQUENCE IQLSDYTKVT CLSCELNPER cQYYSVSFSK EAKYYQLRcS GPGLPLYTLH DATA SEQUENCE SSVNDKGLRV LEDNSALDKM LQNVQMPSKK LDFIILNETK FWYQMILPPH DATA SEQUENCE FDKSKKYPLL LDVYAGPCSQ KADTVFRLNW ATYLASTENI IVASFDGRGS DATA SEQUENCE GYQGDKIMHA INRRLGTFEV EDQIEAARQF SKMGFVDNKR IAIWGWSYGG DATA SEQUENCE YVTSMVLGSG SGVFKcGIAV APVSRWEYYD SVYTERYMGL PTPEDNLDHY DATA SEQUENCE RNSTVMSRAE NFKQVEYLLI HGTADDNVHF QQSAQISKAL VDVGVDFQAM DATA SEQUENCE WYTDEDHGIA SSTAHQHIYT HMSHFIKQcF SLP 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 34 H HA 0.000 nan 4.556 nan 0.000 0.296 34 H C 0.000 175.237 175.328 -0.151 0.000 0.993 34 H CA 0.000 56.056 56.048 0.014 0.000 1.023 34 H CB 0.000 29.755 29.762 -0.012 0.000 1.292 35 H N -1.306 117.757 119.070 -0.012 0.000 2.592 35 H HA 0.234 4.790 4.556 -0.001 0.000 0.265 35 H C 0.503 175.848 175.328 0.029 0.000 0.955 35 H CA 0.572 56.596 56.048 -0.041 0.000 1.175 35 H CB 0.098 29.847 29.762 -0.021 0.000 1.433 35 H HN 0.488 nan 8.280 nan 0.000 0.537 36 H N 1.350 120.118 119.070 -0.502 0.000 2.776 36 H HA -0.232 4.323 4.556 -0.001 0.000 0.300 36 H C -0.446 174.686 175.328 -0.325 0.000 1.161 36 H CA 0.231 56.067 56.048 -0.352 0.000 1.147 36 H CB -1.757 27.941 29.762 -0.106 0.000 1.366 36 H HN 0.720 nan 8.280 nan 0.000 0.397 37 H N -2.793 116.211 119.070 -0.110 0.000 3.047 37 H HA -0.167 4.388 4.556 -0.001 0.000 0.263 37 H C 0.408 175.763 175.328 0.045 0.000 1.168 37 H CA 1.131 57.218 56.048 0.065 0.000 1.152 37 H CB -1.567 28.182 29.762 -0.022 0.000 1.278 37 H HN 0.649 nan 8.280 nan 0.000 0.339 38 H N 0.772 119.992 119.070 0.250 0.000 2.732 38 H HA 0.180 4.735 4.556 -0.001 0.000 0.351 38 H C 0.591 176.032 175.328 0.188 0.000 1.090 38 H CA 0.103 56.266 56.048 0.191 0.000 1.431 38 H CB 0.882 30.728 29.762 0.140 0.000 1.447 38 H HN 0.099 nan 8.280 nan 0.000 0.582 39 S N 3.528 119.410 115.700 0.304 0.000 2.481 39 S HA 0.004 4.474 4.470 -0.001 0.000 0.282 39 S C 1.694 176.418 174.600 0.207 0.000 1.243 39 S CA -0.474 57.859 58.200 0.221 0.000 1.078 39 S CB 0.450 63.760 63.200 0.184 0.000 0.916 39 S HN 0.605 nan 8.310 nan 0.000 0.495 40 R N 2.421 123.020 120.500 0.165 0.000 2.419 40 R HA 0.231 4.570 4.340 -0.001 0.000 0.235 40 R C -0.370 175.998 176.300 0.114 0.000 0.899 40 R CA -0.152 56.028 56.100 0.133 0.000 1.048 40 R CB 0.049 30.412 30.300 0.105 0.000 1.182 40 R HN 0.342 nan 8.270 nan 0.000 0.544 41 K N 2.139 122.610 120.400 0.118 0.000 2.202 41 K HA 0.168 4.487 4.320 -0.001 0.000 0.264 41 K C 0.011 176.688 176.600 0.127 0.000 1.010 41 K CA 0.270 56.631 56.287 0.123 0.000 0.940 41 K CB 1.224 33.811 32.500 0.145 0.000 0.983 41 K HN 0.234 nan 8.250 nan 0.000 0.475 42 T N -2.017 112.620 114.554 0.139 0.000 2.910 42 T HA 0.225 4.574 4.350 -0.001 0.000 0.287 42 T C -1.075 173.753 174.700 0.212 0.000 1.050 42 T CA -0.768 61.423 62.100 0.151 0.000 1.011 42 T CB 0.589 69.540 68.868 0.138 0.000 1.195 42 T HN 0.472 nan 8.240 nan 0.000 0.540 43 Y N 2.589 122.945 120.300 0.094 0.000 2.535 43 Y HA 0.426 4.975 4.550 -0.001 0.000 0.349 43 Y C 0.872 176.929 175.900 0.263 0.000 0.992 43 Y CA -0.384 57.804 58.100 0.147 0.000 1.248 43 Y CB -0.101 38.393 38.460 0.056 0.000 1.124 43 Y HN 1.025 nan 8.280 nan 0.000 0.520 44 T N 2.130 116.679 114.554 -0.008 0.000 2.862 44 T HA 0.131 4.481 4.350 -0.001 0.000 0.276 44 T C 0.997 175.596 174.700 -0.168 0.000 0.974 44 T CA -0.702 61.448 62.100 0.083 0.000 0.966 44 T CB 1.151 70.041 68.868 0.038 0.000 1.072 44 T HN 0.651 nan 8.240 nan 0.000 0.538 45 L N 0.960 121.932 121.223 -0.419 0.000 2.017 45 L HA 0.012 4.351 4.340 -0.001 0.000 0.208 45 L C 2.659 179.387 176.870 -0.237 0.000 1.073 45 L CA 2.210 56.670 54.840 -0.632 0.000 0.745 45 L CB -1.544 40.056 42.059 -0.765 0.000 0.894 45 L HN 0.963 nan 8.230 nan 0.000 0.432 46 T N -0.616 113.835 114.554 -0.172 0.000 2.788 46 T HA -0.149 4.200 4.350 -0.001 0.000 0.268 46 T C 1.476 176.101 174.700 -0.124 0.000 1.044 46 T CA 1.310 63.340 62.100 -0.116 0.000 1.139 46 T CB -0.390 68.432 68.868 -0.077 0.000 0.867 46 T HN 0.385 nan 8.240 nan 0.000 0.454 47 D N 0.346 120.646 120.400 -0.168 0.000 2.116 47 D HA -0.117 4.523 4.640 -0.001 0.000 0.193 47 D C 1.731 177.950 176.300 -0.134 0.000 0.998 47 D CA 1.195 55.078 54.000 -0.196 0.000 0.836 47 D CB -0.432 40.179 40.800 -0.314 0.000 0.951 47 D HN 0.444 nan 8.370 nan 0.000 0.449 48 Y N 1.309 121.424 120.300 -0.307 0.000 2.200 48 Y HA -0.073 4.477 4.550 -0.001 0.000 0.290 48 Y C 2.178 178.091 175.900 0.022 0.000 1.137 48 Y CA 1.154 59.245 58.100 -0.016 0.000 1.163 48 Y CB -0.478 38.037 38.460 0.092 0.000 0.988 48 Y HN -0.088 nan 8.280 nan 0.000 0.518 49 L N -0.063 121.030 121.223 -0.215 0.000 2.156 49 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 49 L C 1.785 178.561 176.870 -0.158 0.000 1.095 49 L CA 1.209 55.897 54.840 -0.254 0.000 0.770 49 L CB -0.408 41.570 42.059 -0.135 0.000 0.914 49 L HN 0.069 nan 8.230 nan 0.000 0.439 50 K N -0.552 119.780 120.400 -0.114 0.000 2.374 50 K HA 0.100 4.420 4.320 -0.001 0.000 0.196 50 K C 0.175 176.730 176.600 -0.073 0.000 1.023 50 K CA -0.141 56.095 56.287 -0.084 0.000 1.103 50 K CB -0.119 32.337 32.500 -0.073 0.000 0.848 50 K HN 0.179 nan 8.250 nan 0.000 0.528 51 N N 1.714 120.378 118.700 -0.059 0.000 2.727 51 N HA -0.150 4.590 4.740 -0.001 0.000 0.251 51 N C 0.045 175.547 175.510 -0.014 0.000 1.040 51 N CA 0.754 53.808 53.050 0.006 0.000 0.712 51 N CB -0.654 37.825 38.487 -0.013 0.000 0.912 51 N HN 0.159 nan 8.380 nan 0.000 0.545 52 T N -0.832 113.676 114.554 -0.076 0.000 2.821 52 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 52 T C 0.398 174.874 174.700 -0.374 0.000 1.046 52 T CA 1.281 63.211 62.100 -0.285 0.000 1.139 52 T CB -0.050 68.528 68.868 -0.483 0.000 0.871 52 T HN 0.334 nan 8.240 nan 0.000 0.454 53 Y N 1.399 121.802 120.300 0.171 0.000 2.402 53 Y HA 0.532 5.082 4.550 -0.001 0.000 0.332 53 Y C 0.346 176.358 175.900 0.186 0.000 0.960 53 Y CA -1.197 57.024 58.100 0.202 0.000 1.228 53 Y CB 0.616 39.264 38.460 0.313 0.000 1.120 53 Y HN -0.134 nan 8.280 nan 0.000 0.491 54 R N 2.595 123.237 120.500 0.235 0.000 2.346 54 R HA 0.498 4.837 4.340 -0.001 0.000 0.311 54 R C -1.283 175.123 176.300 0.177 0.000 0.983 54 R CA -0.936 55.269 56.100 0.175 0.000 0.880 54 R CB 0.687 31.046 30.300 0.098 0.000 1.100 54 R HN 0.520 nan 8.270 nan 0.000 0.453 55 L N 4.540 125.869 121.223 0.177 0.000 2.361 55 L HA 0.213 4.553 4.340 -0.001 0.000 0.278 55 L C 0.080 177.025 176.870 0.124 0.000 1.113 55 L CA 0.555 55.495 54.840 0.167 0.000 0.849 55 L CB 0.784 42.958 42.059 0.191 0.000 1.155 55 L HN 0.483 nan 8.230 nan 0.000 0.452 56 K N 3.388 123.854 120.400 0.109 0.000 2.218 56 K HA 0.443 4.762 4.320 -0.001 0.000 0.276 56 K C -0.661 175.958 176.600 0.031 0.000 1.022 56 K CA -0.671 55.655 56.287 0.065 0.000 0.946 56 K CB 1.007 33.543 32.500 0.059 0.000 1.000 56 K HN 0.253 nan 8.250 nan 0.000 0.468 57 L N 1.874 123.062 121.223 -0.059 0.000 2.335 57 L HA 0.396 4.735 4.340 -0.001 0.000 0.268 57 L C -0.894 175.727 176.870 -0.414 0.000 1.016 57 L CA -0.530 54.159 54.840 -0.251 0.000 0.805 57 L CB 0.459 42.466 42.059 -0.086 0.000 1.311 57 L HN 0.466 nan 8.230 nan 0.000 0.456 58 Y N 0.318 120.089 120.300 -0.883 0.000 2.541 58 Y HA 0.418 4.967 4.550 -0.001 0.000 0.350 58 Y C -0.431 175.286 175.900 -0.305 0.000 1.075 58 Y CA -0.493 57.283 58.100 -0.539 0.000 1.302 58 Y CB 1.384 39.399 38.460 -0.741 0.000 1.094 58 Y HN 0.470 nan 8.280 nan 0.000 0.579 59 S N 6.534 122.154 115.700 -0.133 0.000 2.422 59 S HA 0.729 5.199 4.470 -0.001 0.000 0.298 59 S C -0.986 173.582 174.600 -0.053 0.000 1.118 59 S CA -0.496 57.673 58.200 -0.051 0.000 1.083 59 S CB -0.247 62.932 63.200 -0.035 0.000 0.971 59 S HN 0.598 nan 8.310 nan 0.000 0.478 60 L N 2.824 123.981 121.223 -0.111 0.000 2.333 60 L HA 0.812 5.152 4.340 -0.001 0.000 0.263 60 L C -0.566 176.210 176.870 -0.156 0.000 1.014 60 L CA -0.997 53.724 54.840 -0.199 0.000 0.820 60 L CB 1.468 43.108 42.059 -0.699 0.000 1.352 60 L HN 0.532 nan 8.230 nan 0.000 0.421 61 R N 0.872 121.323 120.500 -0.082 0.000 2.388 61 R HA 0.387 4.726 4.340 -0.001 0.000 0.314 61 R C -1.735 174.589 176.300 0.039 0.000 0.959 61 R CA -0.263 55.842 56.100 0.008 0.000 0.851 61 R CB 1.160 31.500 30.300 0.067 0.000 1.168 61 R HN 0.660 nan 8.270 nan 0.000 0.472 62 W N 4.693 126.079 121.300 0.143 0.000 2.368 62 W HA 0.108 4.767 4.660 -0.001 0.000 0.316 62 W C 1.540 178.121 176.519 0.104 0.000 1.375 62 W CA -0.463 56.975 57.345 0.154 0.000 1.261 62 W CB 0.459 30.002 29.460 0.137 0.000 1.298 62 W HN 0.670 nan 8.180 nan 0.000 0.539 63 I N 0.515 121.277 120.570 0.319 0.000 3.462 63 I HA 0.163 4.333 4.170 -0.001 0.000 0.290 63 I C 0.970 177.173 176.117 0.143 0.000 1.236 63 I CA 0.169 61.569 61.300 0.167 0.000 1.418 63 I CB -0.138 37.893 38.000 0.052 0.000 1.102 63 I HN 0.266 nan 8.210 nan 0.000 0.441 64 S N -0.265 115.543 115.700 0.180 0.000 2.973 64 S HA 0.312 4.781 4.470 -0.001 0.000 0.317 64 S C -0.065 174.499 174.600 -0.061 0.000 1.196 64 S CA -0.241 57.969 58.200 0.016 0.000 0.894 64 S CB 1.409 64.581 63.200 -0.047 0.000 1.292 64 S HN 0.076 nan 8.310 nan 0.000 0.614 65 D N -0.730 119.415 120.400 -0.426 0.000 2.340 65 D HA 0.220 4.859 4.640 -0.001 0.000 0.220 65 D C 0.937 177.148 176.300 -0.148 0.000 1.039 65 D CA 0.726 54.506 54.000 -0.367 0.000 0.866 65 D CB 0.054 40.650 40.800 -0.340 0.000 0.913 65 D HN 0.572 nan 8.370 nan 0.000 0.523 66 H N -1.578 117.659 119.070 0.279 0.000 3.266 66 H HA 0.382 4.938 4.556 -0.001 0.000 0.246 66 H C 0.171 175.648 175.328 0.249 0.000 0.998 66 H CA -0.024 56.182 56.048 0.262 0.000 1.152 66 H CB 0.728 30.596 29.762 0.178 0.000 1.466 66 H HN 0.121 nan 8.280 nan 0.000 0.481 67 E N 0.704 121.134 120.200 0.383 0.000 2.359 67 E HA 0.455 4.804 4.350 -0.001 0.000 0.266 67 E C -1.364 175.403 176.600 0.278 0.000 0.920 67 E CA -1.107 55.430 56.400 0.229 0.000 0.788 67 E CB 3.104 32.869 29.700 0.109 0.000 1.279 67 E HN 0.127 nan 8.360 nan 0.000 0.438 68 Y N -1.287 119.004 120.300 -0.016 0.000 2.571 68 Y HA 0.568 5.118 4.550 -0.001 0.000 0.341 68 Y C -1.747 174.117 175.900 -0.060 0.000 1.076 68 Y CA -1.339 56.643 58.100 -0.198 0.000 1.029 68 Y CB 0.666 38.638 38.460 -0.813 0.000 1.308 68 Y HN 0.318 nan 8.280 nan 0.000 0.461 69 L N 3.483 124.820 121.223 0.190 0.000 2.343 69 L HA 0.564 4.904 4.340 -0.001 0.000 0.275 69 L C -0.995 176.087 176.870 0.353 0.000 1.056 69 L CA -0.912 54.036 54.840 0.179 0.000 0.804 69 L CB 1.378 43.483 42.059 0.077 0.000 1.203 69 L HN 0.824 nan 8.230 nan 0.000 0.440 70 Y N 1.488 121.899 120.300 0.186 0.000 2.625 70 Y HA 0.454 5.003 4.550 -0.001 0.000 0.338 70 Y C -1.524 174.418 175.900 0.070 0.000 1.123 70 Y CA -1.564 56.583 58.100 0.079 0.000 1.046 70 Y CB 1.670 40.153 38.460 0.039 0.000 1.299 70 Y HN 0.441 nan 8.280 nan 0.000 0.464 71 K N 2.950 122.777 120.400 -0.955 0.000 2.339 71 K HA 0.444 4.763 4.320 -0.001 0.000 0.264 71 K C -0.213 175.889 176.600 -0.832 0.000 0.986 71 K CA -0.684 55.209 56.287 -0.655 0.000 0.866 71 K CB 2.152 34.391 32.500 -0.435 0.000 1.103 71 K HN 0.694 nan 8.250 nan 0.000 0.441 72 Q N 1.938 121.545 119.800 -0.321 0.000 2.178 72 Q HA 0.152 4.492 4.340 -0.001 0.000 0.197 72 Q C -0.126 175.819 176.000 -0.090 0.000 0.998 72 Q CA 0.707 56.438 55.803 -0.119 0.000 0.845 72 Q CB 0.456 29.233 28.738 0.065 0.000 0.943 72 Q HN 0.674 nan 8.270 nan 0.000 0.514 73 E N 0.225 120.391 120.200 -0.057 0.000 3.388 73 E HA 0.253 4.602 4.350 -0.001 0.000 0.214 73 E C -1.003 175.563 176.600 -0.057 0.000 1.040 73 E CA -0.074 56.297 56.400 -0.048 0.000 1.327 73 E CB 0.376 30.062 29.700 -0.022 0.000 1.243 73 E HN 0.363 nan 8.360 nan 0.000 0.444 74 N N 0.016 118.667 118.700 -0.081 0.000 2.994 74 N HA -0.154 4.585 4.740 -0.001 0.000 0.221 74 N C -0.875 174.593 175.510 -0.071 0.000 0.900 74 N CA 0.679 53.685 53.050 -0.072 0.000 1.008 74 N CB -0.999 37.458 38.487 -0.051 0.000 1.053 74 N HN 0.295 nan 8.380 nan 0.000 0.580 75 N N 0.826 119.484 118.700 -0.070 0.000 2.515 75 N HA 0.464 5.203 4.740 -0.001 0.000 0.279 75 N C 0.191 175.665 175.510 -0.059 0.000 1.164 75 N CA -0.167 52.844 53.050 -0.065 0.000 0.982 75 N CB 1.149 39.605 38.487 -0.053 0.000 1.170 75 N HN 0.127 nan 8.380 nan 0.000 0.474 76 I N 2.132 122.677 120.570 -0.043 0.000 2.281 76 I HA 0.135 4.304 4.170 -0.001 0.000 0.293 76 I C -0.663 175.502 176.117 0.080 0.000 1.085 76 I CA -0.528 60.771 61.300 -0.002 0.000 1.257 76 I CB 0.084 38.061 38.000 -0.037 0.000 1.430 76 I HN 0.211 nan 8.210 nan 0.000 0.489 77 L N 6.991 128.266 121.223 0.087 0.000 2.421 77 L HA 0.431 4.771 4.340 -0.001 0.000 0.263 77 L C -0.038 176.880 176.870 0.080 0.000 1.122 77 L CA -0.263 54.618 54.840 0.068 0.000 0.804 77 L CB 1.561 43.660 42.059 0.067 0.000 1.150 77 L HN 0.281 nan 8.230 nan 0.000 0.457 78 V N 2.678 122.568 119.914 -0.040 0.000 2.448 78 V HA 0.534 4.654 4.120 -0.001 0.000 0.295 78 V C -0.946 175.006 176.094 -0.236 0.000 1.025 78 V CA -0.362 61.891 62.300 -0.078 0.000 0.859 78 V CB 1.158 32.948 31.823 -0.055 0.000 0.988 78 V HN 0.467 nan 8.190 nan 0.000 0.431 79 F N 4.994 124.681 119.950 -0.437 0.000 2.458 79 F HA 0.517 5.044 4.527 -0.001 0.000 0.330 79 F C 0.550 176.064 175.800 -0.477 0.000 1.082 79 F CA -0.517 57.157 58.000 -0.543 0.000 0.995 79 F CB 1.590 39.975 39.000 -1.024 0.000 1.170 79 F HN 0.498 nan 8.300 nan 0.000 0.478 80 N N 1.789 120.432 118.700 -0.094 0.000 2.457 80 N HA 0.265 5.004 4.740 -0.001 0.000 0.250 80 N C 0.530 175.992 175.510 -0.081 0.000 0.982 80 N CA 0.093 53.114 53.050 -0.049 0.000 0.941 80 N CB 1.706 40.218 38.487 0.042 0.000 1.120 80 N HN 0.788 nan 8.380 nan 0.000 0.505 81 A N 4.255 126.986 122.820 -0.148 0.000 1.917 81 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 81 A C 1.883 179.285 177.584 -0.304 0.000 1.182 81 A CA 1.245 53.136 52.037 -0.243 0.000 0.633 81 A CB -0.286 18.372 19.000 -0.571 0.000 0.819 81 A HN 0.752 nan 8.150 nan 0.000 0.448 82 E N -0.924 119.064 120.200 -0.353 0.000 2.012 82 E HA -0.194 4.155 4.350 -0.001 0.000 0.197 82 E C 1.926 178.368 176.600 -0.263 0.000 1.007 82 E CA 1.798 58.014 56.400 -0.308 0.000 0.816 82 E CB -0.403 28.965 29.700 -0.553 0.000 0.762 82 E HN 0.800 nan 8.360 nan 0.000 0.451 83 Y N -1.289 119.018 120.300 0.012 0.000 2.389 83 Y HA 0.204 4.753 4.550 -0.001 0.000 0.292 83 Y C 1.948 177.856 175.900 0.013 0.000 1.117 83 Y CA 0.792 58.898 58.100 0.010 0.000 1.195 83 Y CB -0.010 38.451 38.460 0.002 0.000 1.076 83 Y HN 0.261 nan 8.280 nan 0.000 0.548 84 G N 0.229 109.123 108.800 0.157 0.000 2.176 84 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.232 84 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.232 84 G C -0.131 174.853 174.900 0.140 0.000 0.986 84 G CA -0.040 45.161 45.100 0.168 0.000 0.643 84 G HN 0.459 nan 8.290 nan 0.000 0.522 85 N N 1.054 119.806 118.700 0.087 0.000 2.454 85 N HA 0.462 5.201 4.740 -0.001 0.000 0.254 85 N C 0.134 175.541 175.510 -0.171 0.000 1.228 85 N CA 0.840 53.876 53.050 -0.025 0.000 0.900 85 N CB 1.354 39.838 38.487 -0.006 0.000 1.089 85 N HN 1.017 nan 8.380 nan 0.000 0.449 86 S N -0.205 115.306 115.700 -0.315 0.000 2.667 86 S HA 0.826 5.295 4.470 -0.001 0.000 0.292 86 S C -0.550 173.873 174.600 -0.295 0.000 1.126 86 S CA -0.671 57.219 58.200 -0.517 0.000 0.881 86 S CB 1.430 63.938 63.200 -1.153 0.000 1.132 86 S HN 1.026 nan 8.310 nan 0.000 0.492 87 S N -0.290 115.262 115.700 -0.247 0.000 2.671 87 S HA 0.707 5.176 4.470 -0.001 0.000 0.277 87 S C -1.097 173.446 174.600 -0.095 0.000 1.165 87 S CA -0.845 57.274 58.200 -0.136 0.000 0.822 87 S CB 0.712 63.864 63.200 -0.080 0.000 1.150 87 S HN 0.933 nan 8.310 nan 0.000 0.479 88 V N 2.098 121.977 119.914 -0.057 0.000 2.546 88 V HA 0.360 4.479 4.120 -0.001 0.000 0.284 88 V C 0.392 176.505 176.094 0.031 0.000 1.050 88 V CA -0.220 62.066 62.300 -0.024 0.000 0.981 88 V CB 0.710 32.501 31.823 -0.054 0.000 0.990 88 V HN 0.922 nan 8.190 nan 0.000 0.474 89 F N 4.653 124.552 119.950 -0.084 0.000 2.505 89 F HA 0.492 5.018 4.527 -0.001 0.000 0.289 89 F C 0.260 176.014 175.800 -0.077 0.000 1.101 89 F CA 0.397 58.356 58.000 -0.067 0.000 1.446 89 F CB 0.679 39.651 39.000 -0.047 0.000 1.123 89 F HN 0.371 nan 8.300 nan 0.000 0.564 90 L N 1.569 122.757 121.223 -0.059 0.000 2.676 90 L HA 0.272 4.611 4.340 -0.001 0.000 0.262 90 L C -0.927 175.862 176.870 -0.135 0.000 0.965 90 L CA -0.500 54.237 54.840 -0.172 0.000 0.920 90 L CB 1.518 43.526 42.059 -0.085 0.000 1.260 90 L HN -0.028 nan 8.230 nan 0.000 0.422 91 E N 1.490 121.582 120.200 -0.179 0.000 2.398 91 E HA 0.065 4.414 4.350 -0.001 0.000 0.263 91 E C 0.559 177.061 176.600 -0.163 0.000 1.046 91 E CA 0.055 56.365 56.400 -0.150 0.000 0.908 91 E CB 0.651 30.259 29.700 -0.152 0.000 0.963 91 E HN 0.585 nan 8.360 nan 0.000 0.431 92 N N 0.564 119.195 118.700 -0.115 0.000 2.626 92 N HA -0.125 4.614 4.740 -0.001 0.000 0.193 92 N C 0.494 175.944 175.510 -0.101 0.000 1.213 92 N CA 0.787 53.781 53.050 -0.093 0.000 0.914 92 N CB 0.092 38.540 38.487 -0.066 0.000 0.994 92 N HN 0.262 nan 8.380 nan 0.000 0.447 93 S N -3.781 111.831 115.700 -0.145 0.000 2.578 93 S HA 0.119 4.589 4.470 -0.001 0.000 0.228 93 S C 1.393 175.852 174.600 -0.234 0.000 1.022 93 S CA -0.261 57.853 58.200 -0.143 0.000 0.967 93 S CB -0.364 62.767 63.200 -0.115 0.000 0.914 93 S HN 0.104 nan 8.310 nan 0.000 0.515 94 T N 2.209 116.523 114.554 -0.399 0.000 2.685 94 T HA -0.040 4.310 4.350 -0.001 0.000 0.268 94 T C 0.294 174.484 174.700 -0.851 0.000 1.034 94 T CA 1.629 63.285 62.100 -0.739 0.000 1.149 94 T CB -0.453 67.701 68.868 -1.191 0.000 0.860 94 T HN 0.575 nan 8.240 nan 0.000 0.449 95 F N 1.084 120.910 119.950 -0.206 0.000 2.708 95 F HA 0.258 4.784 4.527 -0.001 0.000 0.300 95 F C 1.085 176.860 175.800 -0.042 0.000 1.118 95 F CA -1.257 56.644 58.000 -0.164 0.000 1.307 95 F CB -0.111 38.704 39.000 -0.309 0.000 0.986 95 F HN 0.117 nan 8.300 nan 0.000 0.522 96 D N -0.397 120.025 120.400 0.037 0.000 2.378 96 D HA -0.132 4.507 4.640 -0.001 0.000 0.227 96 D C 0.901 177.227 176.300 0.044 0.000 1.012 96 D CA 0.760 54.784 54.000 0.041 0.000 0.905 96 D CB -0.328 40.468 40.800 -0.006 0.000 0.895 96 D HN 0.398 nan 8.370 nan 0.000 0.532 97 E N -1.333 118.910 120.200 0.072 0.000 2.526 97 E HA 0.062 4.412 4.350 -0.001 0.000 0.208 97 E C 0.586 177.235 176.600 0.083 0.000 0.997 97 E CA -0.451 55.977 56.400 0.047 0.000 0.961 97 E CB -0.056 29.662 29.700 0.031 0.000 1.030 97 E HN 0.147 nan 8.360 nan 0.000 0.483 98 F N 1.665 121.607 119.950 -0.013 0.000 2.126 98 F HA -0.156 4.370 4.527 -0.001 0.000 0.299 98 F C 1.804 177.511 175.800 -0.155 0.000 1.096 98 F CA 2.319 60.297 58.000 -0.037 0.000 1.255 98 F CB -0.121 38.858 39.000 -0.035 0.000 0.997 98 F HN 0.192 nan 8.300 nan 0.000 0.479 99 G N -1.514 107.132 108.800 -0.257 0.000 2.195 99 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.224 99 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.224 99 G C 0.191 174.615 174.900 -0.795 0.000 0.990 99 G CA 0.182 44.939 45.100 -0.571 0.000 0.639 99 G HN 0.609 nan 8.290 nan 0.000 0.514 100 H N -0.487 118.488 119.070 -0.158 0.000 2.985 100 H HA 0.641 5.196 4.556 -0.001 0.000 0.360 100 H C -0.540 174.859 175.328 0.118 0.000 1.221 100 H CA -0.036 55.994 56.048 -0.031 0.000 1.121 100 H CB 1.409 31.111 29.762 -0.101 0.000 1.854 100 H HN 0.216 nan 8.280 nan 0.000 0.551 101 S N 1.237 117.083 115.700 0.243 0.000 2.499 101 S HA 0.264 4.733 4.470 -0.001 0.000 0.275 101 S C 0.091 174.799 174.600 0.179 0.000 1.257 101 S CA -0.714 57.586 58.200 0.166 0.000 1.050 101 S CB -0.558 62.711 63.200 0.115 0.000 0.937 101 S HN 0.374 nan 8.310 nan 0.000 0.490 102 I N 5.587 126.217 120.570 0.100 0.000 2.337 102 I HA 0.165 4.334 4.170 -0.001 0.000 0.291 102 I C 1.339 177.470 176.117 0.023 0.000 1.046 102 I CA -0.366 60.959 61.300 0.042 0.000 1.324 102 I CB 0.882 38.823 38.000 -0.098 0.000 1.409 102 I HN 0.742 nan 8.210 nan 0.000 0.494 103 N N 3.652 122.359 118.700 0.012 0.000 2.250 103 N HA -0.072 4.667 4.740 -0.001 0.000 0.181 103 N C -0.048 175.409 175.510 -0.089 0.000 1.017 103 N CA 1.191 54.190 53.050 -0.084 0.000 0.866 103 N CB 0.345 38.729 38.487 -0.172 0.000 0.985 103 N HN 0.661 nan 8.380 nan 0.000 0.429 104 D N -2.934 117.451 120.400 -0.026 0.000 2.692 104 D HA 0.200 4.839 4.640 -0.001 0.000 0.290 104 D C -1.725 174.640 176.300 0.109 0.000 1.281 104 D CA -0.538 53.462 54.000 -0.000 0.000 0.804 104 D CB 0.690 41.445 40.800 -0.076 0.000 1.331 104 D HN 0.058 nan 8.370 nan 0.000 0.432 105 Y N -1.337 118.986 120.300 0.039 0.000 2.615 105 Y HA 0.774 5.324 4.550 -0.001 0.000 0.341 105 Y C -1.233 174.758 175.900 0.152 0.000 1.089 105 Y CA -0.960 57.188 58.100 0.080 0.000 1.049 105 Y CB 1.714 40.211 38.460 0.062 0.000 1.296 105 Y HN 0.167 nan 8.280 nan 0.000 0.470 106 S N 2.222 118.127 115.700 0.342 0.000 2.619 106 S HA 0.656 5.126 4.470 -0.001 0.000 0.280 106 S C -1.518 173.435 174.600 0.588 0.000 1.150 106 S CA -0.609 57.805 58.200 0.357 0.000 0.978 106 S CB 0.492 63.899 63.200 0.345 0.000 1.041 106 S HN 0.695 nan 8.310 nan 0.000 0.485 107 I N 4.308 125.122 120.570 0.406 0.000 2.353 107 I HA 0.298 4.468 4.170 -0.001 0.000 0.293 107 I C 0.856 176.845 176.117 -0.213 0.000 0.992 107 I CA -0.571 60.861 61.300 0.220 0.000 1.268 107 I CB 1.865 39.999 38.000 0.223 0.000 1.387 107 I HN 0.793 nan 8.210 nan 0.000 0.478 108 S N 6.046 121.296 115.700 -0.750 0.000 2.563 108 S HA 0.108 4.577 4.470 -0.001 0.000 0.284 108 S C -1.831 172.478 174.600 -0.484 0.000 1.331 108 S CA -0.859 56.541 58.200 -1.333 0.000 1.047 108 S CB 0.570 62.957 63.200 -1.354 0.000 0.859 108 S HN 0.429 nan 8.310 nan 0.000 0.514 109 P HA -0.105 nan 4.420 nan 0.000 0.219 109 P C 0.737 177.989 177.300 -0.079 0.000 1.146 109 P CA 1.407 64.429 63.100 -0.130 0.000 0.808 109 P CB -0.132 31.513 31.700 -0.092 0.000 0.779 110 D N -1.999 118.351 120.400 -0.083 0.000 2.339 110 D HA 0.089 4.728 4.640 -0.001 0.000 0.217 110 D C 1.325 177.611 176.300 -0.022 0.000 1.050 110 D CA 0.427 54.419 54.000 -0.012 0.000 0.856 110 D CB -1.158 39.681 40.800 0.066 0.000 0.922 110 D HN 0.143 nan 8.370 nan 0.000 0.518 111 G N 0.686 109.454 108.800 -0.053 0.000 2.225 111 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.267 111 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.267 111 G C 0.797 175.670 174.900 -0.045 0.000 1.024 111 G CA 0.690 45.797 45.100 0.011 0.000 0.784 111 G HN 0.477 nan 8.290 nan 0.000 0.507 112 Q N -1.855 117.835 119.800 -0.184 0.000 2.391 112 Q HA 0.380 4.719 4.340 -0.001 0.000 0.211 112 Q C 0.319 175.839 176.000 -0.801 0.000 0.908 112 Q CA 0.610 56.113 55.803 -0.499 0.000 0.920 112 Q CB 0.532 28.881 28.738 -0.647 0.000 1.056 112 Q HN 0.589 nan 8.270 nan 0.000 0.523 113 F N -0.401 119.460 119.950 -0.149 0.000 2.613 113 F HA 0.527 5.054 4.527 -0.001 0.000 0.314 113 F C -0.616 175.253 175.800 0.115 0.000 1.075 113 F CA -1.259 56.735 58.000 -0.010 0.000 0.945 113 F CB 1.818 40.855 39.000 0.062 0.000 1.310 113 F HN -0.212 nan 8.300 nan 0.000 0.467 114 I N 2.559 123.440 120.570 0.519 0.000 2.533 114 I HA 0.528 4.698 4.170 -0.001 0.000 0.290 114 I C -1.878 174.569 176.117 0.551 0.000 1.056 114 I CA -1.046 60.571 61.300 0.528 0.000 1.057 114 I CB 1.620 39.888 38.000 0.447 0.000 1.240 114 I HN 0.558 nan 8.210 nan 0.000 0.423 115 L N 8.139 129.723 121.223 0.602 0.000 2.276 115 L HA 0.507 4.847 4.340 -0.001 0.000 0.286 115 L C -1.268 175.756 176.870 0.258 0.000 1.061 115 L CA 0.033 55.098 54.840 0.376 0.000 0.807 115 L CB 1.036 43.228 42.059 0.222 0.000 1.177 115 L HN 0.528 nan 8.230 nan 0.000 0.429 116 L N 5.008 126.310 121.223 0.131 0.000 2.296 116 L HA 0.515 4.854 4.340 -0.001 0.000 0.286 116 L C -0.113 176.813 176.870 0.093 0.000 1.023 116 L CA -0.402 54.417 54.840 -0.034 0.000 0.812 116 L CB 1.530 43.300 42.059 -0.483 0.000 1.223 116 L HN 0.604 nan 8.230 nan 0.000 0.421 117 E N 3.373 123.600 120.200 0.045 0.000 2.151 117 E HA 0.448 4.797 4.350 -0.001 0.000 0.275 117 E C -1.633 174.974 176.600 0.012 0.000 0.936 117 E CA -0.529 55.793 56.400 -0.131 0.000 0.777 117 E CB 1.202 30.868 29.700 -0.056 0.000 1.108 117 E HN 0.447 nan 8.360 nan 0.000 0.401 118 Y N 1.583 121.735 120.300 -0.245 0.000 2.728 118 Y HA 0.435 4.984 4.550 -0.001 0.000 0.330 118 Y C -0.085 175.748 175.900 -0.111 0.000 1.234 118 Y CA -1.600 56.445 58.100 -0.092 0.000 1.070 118 Y CB 0.436 38.923 38.460 0.045 0.000 1.300 118 Y HN 0.490 nan 8.280 nan 0.000 0.467 119 N N -0.417 118.291 118.700 0.013 0.000 2.725 119 N HA -0.301 4.438 4.740 -0.001 0.000 0.249 119 N C -0.932 174.540 175.510 -0.063 0.000 1.103 119 N CA 1.050 54.056 53.050 -0.074 0.000 0.707 119 N CB -1.622 36.709 38.487 -0.261 0.000 1.043 119 N HN 0.856 nan 8.380 nan 0.000 0.553 120 Y N 0.261 120.486 120.300 -0.124 0.000 2.729 120 Y HA 0.240 4.790 4.550 -0.001 0.000 0.331 120 Y C -0.070 175.788 175.900 -0.069 0.000 1.208 120 Y CA 0.017 58.042 58.100 -0.126 0.000 1.521 120 Y CB 0.574 38.913 38.460 -0.202 0.000 1.233 120 Y HN -0.013 nan 8.280 nan 0.000 0.539 121 V N 8.271 127.839 119.914 -0.578 0.000 2.380 121 V HA 0.193 4.312 4.120 -0.001 0.000 0.286 121 V C -0.131 175.576 176.094 -0.647 0.000 1.015 121 V CA -1.413 60.572 62.300 -0.525 0.000 0.834 121 V CB 1.140 32.816 31.823 -0.245 0.000 1.009 121 V HN 0.751 nan 8.190 nan 0.000 0.428 122 K N 3.667 123.613 120.400 -0.757 0.000 2.436 122 K HA 0.134 4.454 4.320 -0.001 0.000 0.275 122 K C 0.446 176.875 176.600 -0.285 0.000 0.999 122 K CA 0.344 56.383 56.287 -0.412 0.000 0.980 122 K CB 1.056 33.480 32.500 -0.126 0.000 0.919 122 K HN 0.821 nan 8.250 nan 0.000 0.484 123 Q N 2.980 122.606 119.800 -0.290 0.000 2.729 123 Q HA 0.169 4.509 4.340 -0.001 0.000 0.228 123 Q C -0.001 175.737 176.000 -0.438 0.000 1.021 123 Q CA -0.378 55.045 55.803 -0.632 0.000 0.561 123 Q CB 0.074 28.279 28.738 -0.888 0.000 3.921 123 Q HN 0.720 nan 8.270 nan 0.000 0.430 124 W N 0.253 121.570 121.300 0.029 0.000 1.763 124 W HA 0.359 5.019 4.660 -0.001 0.000 0.619 124 W C 1.832 178.371 176.519 0.034 0.000 1.755 124 W CA -0.649 56.747 57.345 0.086 0.000 1.933 124 W CB -0.175 29.317 29.460 0.053 0.000 3.002 124 W HN 0.293 nan 8.180 nan 0.000 0.782 125 R N -0.614 120.033 120.500 0.244 0.000 2.115 125 R HA -0.121 4.219 4.340 -0.001 0.000 0.230 125 R C 1.590 177.762 176.300 -0.213 0.000 1.111 125 R CA 1.583 57.660 56.100 -0.039 0.000 0.976 125 R CB -0.297 29.880 30.300 -0.205 0.000 0.870 125 R HN 0.522 nan 8.270 nan 0.000 0.445 126 H N -1.450 117.710 119.070 0.150 0.000 2.926 126 H HA 0.144 4.699 4.556 -0.001 0.000 0.249 126 H C 0.619 176.055 175.328 0.179 0.000 0.963 126 H CA 0.453 56.612 56.048 0.186 0.000 1.158 126 H CB 0.330 30.177 29.762 0.141 0.000 1.445 126 H HN 0.124 nan 8.280 nan 0.000 0.452 127 S N 1.315 117.023 115.700 0.012 0.000 2.585 127 S HA 0.370 4.840 4.470 -0.001 0.000 0.273 127 S C -0.344 174.149 174.600 -0.177 0.000 1.339 127 S CA -0.426 57.472 58.200 -0.503 0.000 1.028 127 S CB 0.680 63.052 63.200 -1.380 0.000 0.906 127 S HN 0.442 nan 8.310 nan 0.000 0.528 128 Y N -2.558 117.618 120.300 -0.207 0.000 2.687 128 Y HA 0.593 5.142 4.550 -0.001 0.000 0.338 128 Y C -0.738 175.153 175.900 -0.015 0.000 1.189 128 Y CA -0.905 57.086 58.100 -0.182 0.000 1.097 128 Y CB 0.311 38.670 38.460 -0.169 0.000 1.342 128 Y HN 0.894 nan 8.280 nan 0.000 0.461 129 T N 0.093 114.705 114.554 0.097 0.000 2.952 129 T HA 1.021 5.370 4.350 -0.001 0.000 0.286 129 T C -0.303 174.495 174.700 0.164 0.000 1.024 129 T CA -0.087 62.090 62.100 0.127 0.000 1.029 129 T CB 1.725 70.616 68.868 0.038 0.000 1.094 129 T HN 1.941 nan 8.240 nan 0.000 0.515 130 A N 0.841 123.722 122.820 0.103 0.000 2.566 130 A HA 0.719 5.039 4.320 -0.001 0.000 0.290 130 A C -0.507 176.865 177.584 -0.353 0.000 1.071 130 A CA -0.995 50.950 52.037 -0.152 0.000 0.658 130 A CB 0.884 19.770 19.000 -0.191 0.000 1.285 130 A HN 0.868 nan 8.150 nan 0.000 0.427 131 S N -0.807 114.448 115.700 -0.741 0.000 2.690 131 S HA 0.853 5.322 4.470 -0.001 0.000 0.291 131 S C -1.406 172.591 174.600 -1.005 0.000 1.138 131 S CA -0.084 57.616 58.200 -0.833 0.000 1.013 131 S CB 0.679 63.047 63.200 -1.387 0.000 1.053 131 S HN 0.490 nan 8.310 nan 0.000 0.539 132 Y N -0.280 119.857 120.300 -0.271 0.000 2.544 132 Y HA 0.468 5.017 4.550 -0.001 0.000 0.342 132 Y C -0.523 175.450 175.900 0.122 0.000 1.062 132 Y CA -0.900 57.182 58.100 -0.030 0.000 1.023 132 Y CB 1.893 40.263 38.460 -0.151 0.000 1.308 132 Y HN 0.512 nan 8.280 nan 0.000 0.457 133 D N 2.101 122.711 120.400 0.351 0.000 2.732 133 D HA 0.539 5.178 4.640 -0.001 0.000 0.229 133 D C -1.114 175.303 176.300 0.196 0.000 1.152 133 D CA -0.372 53.791 54.000 0.271 0.000 0.854 133 D CB 2.982 44.017 40.800 0.392 0.000 1.590 133 D HN 0.398 nan 8.370 nan 0.000 0.468 134 I N 1.773 122.457 120.570 0.190 0.000 2.377 134 I HA 0.228 4.397 4.170 -0.001 0.000 0.293 134 I C -0.895 175.426 176.117 0.341 0.000 0.987 134 I CA -0.872 60.578 61.300 0.251 0.000 1.185 134 I CB 1.350 39.456 38.000 0.178 0.000 1.341 134 I HN 0.228 nan 8.210 nan 0.000 0.455 135 Y N 5.949 126.401 120.300 0.252 0.000 2.331 135 Y HA 0.288 4.838 4.550 -0.001 0.000 0.338 135 Y C -0.154 175.928 175.900 0.302 0.000 0.992 135 Y CA -0.778 57.475 58.100 0.256 0.000 1.121 135 Y CB 1.004 39.627 38.460 0.272 0.000 1.184 135 Y HN 0.492 nan 8.280 nan 0.000 0.469 136 D N 5.902 126.218 120.400 -0.140 0.000 2.317 136 D HA 0.077 4.716 4.640 -0.001 0.000 0.252 136 D C 0.539 176.508 176.300 -0.552 0.000 1.174 136 D CA 0.225 54.084 54.000 -0.235 0.000 0.866 136 D CB 1.193 41.914 40.800 -0.132 0.000 1.127 136 D HN 0.878 nan 8.370 nan 0.000 0.467 137 L N 3.638 124.598 121.223 -0.438 0.000 2.313 137 L HA 0.006 4.345 4.340 -0.001 0.000 0.214 137 L C 1.950 178.633 176.870 -0.310 0.000 1.119 137 L CA 0.354 55.006 54.840 -0.314 0.000 0.809 137 L CB -0.118 41.816 42.059 -0.209 0.000 0.933 137 L HN 0.407 nan 8.230 nan 0.000 0.449 138 N N -0.139 118.355 118.700 -0.344 0.000 2.373 138 N HA -0.005 4.735 4.740 -0.001 0.000 0.181 138 N C 1.109 176.493 175.510 -0.209 0.000 1.082 138 N CA 0.516 53.416 53.050 -0.249 0.000 0.885 138 N CB 0.485 38.831 38.487 -0.234 0.000 0.977 138 N HN 0.339 nan 8.380 nan 0.000 0.462 139 K N 0.412 120.664 120.400 -0.247 0.000 2.374 139 K HA 0.262 4.582 4.320 -0.001 0.000 0.202 139 K C -0.189 176.284 176.600 -0.212 0.000 1.040 139 K CA -0.211 55.964 56.287 -0.187 0.000 1.085 139 K CB 0.836 33.245 32.500 -0.151 0.000 0.873 139 K HN -0.060 nan 8.250 nan 0.000 0.539 140 R N 1.595 121.906 120.500 -0.316 0.000 3.301 140 R HA -0.228 4.111 4.340 -0.001 0.000 0.249 140 R C -0.767 175.378 176.300 -0.260 0.000 0.964 140 R CA 0.777 56.702 56.100 -0.292 0.000 0.653 140 R CB -1.790 28.479 30.300 -0.051 0.000 1.043 140 R HN 0.405 nan 8.270 nan 0.000 0.454 141 Q N 0.087 119.573 119.800 -0.523 0.000 2.345 141 Q HA 0.372 4.711 4.340 -0.001 0.000 0.275 141 Q C -0.668 175.273 176.000 -0.099 0.000 1.063 141 Q CA -1.098 54.615 55.803 -0.150 0.000 0.819 141 Q CB 1.931 30.633 28.738 -0.060 0.000 1.356 141 Q HN -0.036 nan 8.270 nan 0.000 0.418 142 L N 1.983 123.360 121.223 0.257 0.000 2.467 142 L HA 0.244 4.584 4.340 -0.001 0.000 0.270 142 L C -0.233 176.742 176.870 0.174 0.000 1.205 142 L CA 0.365 55.401 54.840 0.326 0.000 0.828 142 L CB 0.370 42.643 42.059 0.357 0.000 1.101 142 L HN 0.579 nan 8.230 nan 0.000 0.479 143 I N 1.223 121.897 120.570 0.174 0.000 2.315 143 I HA 0.142 4.312 4.170 -0.001 0.000 0.291 143 I C 1.174 177.349 176.117 0.098 0.000 1.006 143 I CA 0.193 61.563 61.300 0.117 0.000 1.265 143 I CB 1.302 39.366 38.000 0.106 0.000 1.387 143 I HN 0.719 nan 8.210 nan 0.000 0.475 144 T N 0.789 115.386 114.554 0.071 0.000 3.069 144 T HA 0.299 4.648 4.350 -0.001 0.000 0.252 144 T C 0.499 175.213 174.700 0.023 0.000 1.053 144 T CA -0.151 61.980 62.100 0.052 0.000 0.964 144 T CB -0.245 68.652 68.868 0.048 0.000 1.005 144 T HN 0.432 nan 8.240 nan 0.000 0.532 145 E N 2.026 122.238 120.200 0.019 0.000 2.216 145 E HA 0.381 4.731 4.350 -0.001 0.000 0.279 145 E C -0.292 176.297 176.600 -0.020 0.000 0.997 145 E CA -0.649 55.751 56.400 -0.000 0.000 0.817 145 E CB 0.625 30.329 29.700 0.007 0.000 1.096 145 E HN 0.121 nan 8.360 nan 0.000 0.393 146 E N 1.500 121.675 120.200 -0.041 0.000 2.297 146 E HA -0.266 4.084 4.350 -0.001 0.000 0.228 146 E C -0.728 175.815 176.600 -0.096 0.000 1.213 146 E CA 0.623 56.982 56.400 -0.068 0.000 0.712 146 E CB -1.325 28.347 29.700 -0.046 0.000 1.202 146 E HN 0.504 nan 8.360 nan 0.000 0.376 147 R N -0.201 120.235 120.500 -0.105 0.000 2.694 147 R HA 0.310 4.650 4.340 -0.001 0.000 0.268 147 R C 1.125 177.270 176.300 -0.259 0.000 1.061 147 R CA -0.381 55.642 56.100 -0.128 0.000 1.133 147 R CB 0.446 30.700 30.300 -0.078 0.000 1.020 147 R HN 0.128 nan 8.270 nan 0.000 0.475 148 I N 4.103 124.483 120.570 -0.318 0.000 2.683 148 I HA 0.008 4.177 4.170 -0.001 0.000 0.286 148 I C -1.700 174.129 176.117 -0.481 0.000 1.175 148 I CA -1.404 59.542 61.300 -0.590 0.000 1.429 148 I CB 0.381 38.049 38.000 -0.553 0.000 1.371 148 I HN 0.336 nan 8.210 nan 0.000 0.569 149 P HA 0.083 nan 4.420 nan 0.000 0.272 149 P C -0.753 176.360 177.300 -0.312 0.000 1.240 149 P CA -0.371 62.372 63.100 -0.594 0.000 0.791 149 P CB 0.376 31.336 31.700 -1.234 0.000 0.978 150 N N 1.079 119.672 118.700 -0.177 0.000 2.371 150 N HA 0.010 4.750 4.740 -0.001 0.000 0.243 150 N C 0.301 175.882 175.510 0.118 0.000 1.287 150 N CA 0.166 53.176 53.050 -0.067 0.000 0.911 150 N CB -0.662 37.798 38.487 -0.045 0.000 1.142 150 N HN 0.407 nan 8.380 nan 0.000 0.451 151 N N -1.884 116.871 118.700 0.091 0.000 2.747 151 N HA -0.170 4.570 4.740 -0.001 0.000 0.249 151 N C -1.000 174.691 175.510 0.302 0.000 1.107 151 N CA 0.698 53.847 53.050 0.164 0.000 0.707 151 N CB -1.300 37.294 38.487 0.178 0.000 1.054 151 N HN 0.433 nan 8.380 nan 0.000 0.555 152 T N 0.263 114.993 114.554 0.293 0.000 2.884 152 T HA 0.092 4.441 4.350 -0.001 0.000 0.298 152 T C 1.425 176.304 174.700 0.297 0.000 0.998 152 T CA -0.025 62.279 62.100 0.340 0.000 1.124 152 T CB 1.213 70.197 68.868 0.193 0.000 0.931 152 T HN 0.179 nan 8.240 nan 0.000 0.531 153 Q N 1.754 121.725 119.800 0.286 0.000 2.302 153 Q HA 0.159 4.499 4.340 -0.001 0.000 0.202 153 Q C 0.147 176.370 176.000 0.373 0.000 0.936 153 Q CA 0.411 56.404 55.803 0.317 0.000 0.886 153 Q CB 0.774 29.681 28.738 0.282 0.000 0.986 153 Q HN 0.697 nan 8.270 nan 0.000 0.487 154 W N -0.234 121.070 121.300 0.006 0.000 3.464 154 W HA 0.441 5.101 4.660 -0.001 0.000 0.292 154 W C -2.346 174.096 176.519 -0.128 0.000 1.262 154 W CA -0.599 56.693 57.345 -0.088 0.000 1.202 154 W CB 1.131 30.476 29.460 -0.192 0.000 1.334 154 W HN -0.362 nan 8.180 nan 0.000 0.561 155 V N 3.201 122.467 119.914 -1.079 0.000 2.841 155 V HA 0.671 4.790 4.120 -0.001 0.000 0.310 155 V C -0.443 175.077 176.094 -0.956 0.000 1.090 155 V CA -0.620 61.167 62.300 -0.855 0.000 0.930 155 V CB 1.784 32.971 31.823 -1.061 0.000 1.014 155 V HN 0.489 nan 8.190 nan 0.000 0.425 156 T N 2.943 117.254 114.554 -0.404 0.000 3.032 156 T HA 0.534 4.883 4.350 -0.001 0.000 0.312 156 T C -1.332 173.406 174.700 0.064 0.000 1.078 156 T CA -0.296 61.744 62.100 -0.101 0.000 1.028 156 T CB 0.788 69.851 68.868 0.325 0.000 1.091 156 T HN 0.513 nan 8.240 nan 0.000 0.457 157 W N 3.168 124.508 121.300 0.068 0.000 2.126 157 W HA 0.451 5.111 4.660 -0.001 0.000 0.346 157 W C 1.272 177.611 176.519 -0.301 0.000 1.279 157 W CA -0.626 56.692 57.345 -0.045 0.000 1.259 157 W CB 0.628 30.064 29.460 -0.041 0.000 1.133 157 W HN 0.801 nan 8.180 nan 0.000 0.592 158 S N 1.241 116.633 115.700 -0.512 0.000 2.584 158 S HA 0.131 4.600 4.470 -0.001 0.000 0.270 158 S C -1.824 172.501 174.600 -0.459 0.000 1.346 158 S CA -0.957 56.442 58.200 -1.336 0.000 1.018 158 S CB 0.961 63.335 63.200 -1.378 0.000 0.899 158 S HN 0.279 nan 8.310 nan 0.000 0.542 159 P HA 0.072 nan 4.420 nan 0.000 0.226 159 P C 0.199 177.442 177.300 -0.095 0.000 1.153 159 P CA 0.594 63.640 63.100 -0.089 0.000 0.777 159 P CB -0.201 31.488 31.700 -0.018 0.000 0.794 160 V N -6.246 113.569 119.914 -0.166 0.000 3.007 160 V HA 0.892 5.011 4.120 -0.001 0.000 0.311 160 V C 0.329 176.319 176.094 -0.173 0.000 1.120 160 V CA -0.257 61.968 62.300 -0.126 0.000 0.980 160 V CB 1.171 32.936 31.823 -0.097 0.000 1.033 160 V HN 0.397 nan 8.190 nan 0.000 0.429 161 G N 2.897 111.625 108.800 -0.120 0.000 2.512 161 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.254 161 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.254 161 G C 0.156 175.000 174.900 -0.093 0.000 1.199 161 G CA 0.727 45.742 45.100 -0.143 0.000 0.941 161 G HN 2.591 nan 8.290 nan 0.000 0.569 162 H N -0.620 118.427 119.070 -0.038 0.000 3.233 162 H HA 0.434 4.990 4.556 -0.001 0.000 0.232 162 H C 0.160 175.624 175.328 0.225 0.000 1.322 162 H CA -0.129 55.950 56.048 0.052 0.000 1.043 162 H CB -0.428 29.373 29.762 0.065 0.000 2.572 162 H HN 0.511 nan 8.280 nan 0.000 0.597 163 K N 1.162 121.550 120.400 -0.019 0.000 2.168 163 K HA 0.382 4.702 4.320 -0.001 0.000 0.258 163 K C -0.564 176.129 176.600 0.156 0.000 1.010 163 K CA -0.619 55.673 56.287 0.009 0.000 0.929 163 K CB 1.112 33.499 32.500 -0.188 0.000 0.998 163 K HN -0.014 nan 8.250 nan 0.000 0.479 164 L N 1.492 122.829 121.223 0.191 0.000 2.362 164 L HA 0.552 4.891 4.340 -0.001 0.000 0.275 164 L C -0.964 176.091 176.870 0.308 0.000 0.998 164 L CA -0.464 54.450 54.840 0.124 0.000 0.820 164 L CB 1.492 43.516 42.059 -0.058 0.000 1.270 164 L HN 0.784 nan 8.230 nan 0.000 0.415 165 A N 4.113 127.137 122.820 0.341 0.000 2.343 165 A HA 0.806 5.125 4.320 -0.001 0.000 0.316 165 A C -1.555 176.082 177.584 0.090 0.000 1.104 165 A CA -0.390 51.743 52.037 0.160 0.000 0.768 165 A CB 1.007 20.026 19.000 0.032 0.000 1.213 165 A HN 0.651 nan 8.150 nan 0.000 0.456 166 Y N -0.380 119.907 120.300 -0.022 0.000 2.581 166 Y HA 0.765 5.315 4.550 -0.001 0.000 0.345 166 Y C -1.152 174.791 175.900 0.071 0.000 1.036 166 Y CA -1.605 56.464 58.100 -0.052 0.000 1.042 166 Y CB 1.147 39.505 38.460 -0.169 0.000 1.289 166 Y HN 0.374 nan 8.280 nan 0.000 0.471 167 V N 2.343 122.425 119.914 0.281 0.000 2.459 167 V HA 0.389 4.509 4.120 -0.001 0.000 0.295 167 V C -1.412 174.930 176.094 0.413 0.000 1.029 167 V CA -0.619 61.822 62.300 0.236 0.000 0.874 167 V CB 1.307 33.181 31.823 0.085 0.000 0.985 167 V HN 0.887 nan 8.190 nan 0.000 0.438 168 W N 4.832 126.257 121.300 0.209 0.000 3.259 168 W HA 0.454 5.113 4.660 -0.001 0.000 0.331 168 W C 0.256 176.848 176.519 0.122 0.000 1.144 168 W CA -0.727 56.708 57.345 0.151 0.000 1.227 168 W CB 1.260 30.781 29.460 0.101 0.000 1.371 168 W HN 0.778 nan 8.180 nan 0.000 0.491 169 N N 4.948 123.268 118.700 -0.633 0.000 2.721 169 N HA -0.333 4.407 4.740 -0.001 0.000 0.249 169 N C -0.019 175.328 175.510 -0.272 0.000 1.072 169 N CA 0.995 53.673 53.050 -0.619 0.000 0.710 169 N CB -0.870 37.018 38.487 -0.998 0.000 0.993 169 N HN 0.696 nan 8.380 nan 0.000 0.547 170 N N -1.411 117.202 118.700 -0.145 0.000 2.800 170 N HA -0.150 4.590 4.740 -0.001 0.000 0.250 170 N C -1.401 174.053 175.510 -0.092 0.000 1.078 170 N CA 1.577 54.567 53.050 -0.099 0.000 0.804 170 N CB -0.546 37.832 38.487 -0.181 0.000 1.135 170 N HN 0.530 nan 8.380 nan 0.000 0.565 171 D N -0.199 120.161 120.400 -0.067 0.000 2.340 171 D HA 0.506 5.146 4.640 -0.001 0.000 0.240 171 D C 0.443 176.613 176.300 -0.216 0.000 1.001 171 D CA -0.424 53.463 54.000 -0.188 0.000 0.888 171 D CB 1.347 41.986 40.800 -0.268 0.000 1.310 171 D HN -0.005 nan 8.370 nan 0.000 0.474 172 I N 1.685 121.963 120.570 -0.487 0.000 2.385 172 I HA 0.263 4.432 4.170 -0.001 0.000 0.294 172 I C -0.670 175.009 176.117 -0.731 0.000 0.988 172 I CA -0.464 60.534 61.300 -0.504 0.000 1.265 172 I CB 0.653 38.275 38.000 -0.631 0.000 1.388 172 I HN 0.174 nan 8.210 nan 0.000 0.480 173 Y N 4.020 123.959 120.300 -0.601 0.000 2.512 173 Y HA 0.633 5.182 4.550 -0.001 0.000 0.348 173 Y C -0.402 175.163 175.900 -0.558 0.000 0.990 173 Y CA -0.926 56.764 58.100 -0.684 0.000 1.033 173 Y CB 2.203 39.947 38.460 -1.193 0.000 1.259 173 Y HN 0.114 nan 8.280 nan 0.000 0.461 174 V N 2.768 122.627 119.914 -0.092 0.000 2.656 174 V HA 0.456 4.575 4.120 -0.001 0.000 0.307 174 V C -0.919 175.307 176.094 0.221 0.000 1.051 174 V CA -1.374 60.959 62.300 0.056 0.000 0.893 174 V CB 2.076 33.934 31.823 0.057 0.000 0.999 174 V HN 0.626 nan 8.190 nan 0.000 0.426 175 K N 4.279 124.817 120.400 0.229 0.000 2.358 175 K HA 0.507 4.827 4.320 -0.001 0.000 0.260 175 K C 0.217 176.939 176.600 0.203 0.000 0.956 175 K CA -0.759 55.668 56.287 0.234 0.000 0.834 175 K CB 1.979 34.581 32.500 0.171 0.000 1.102 175 K HN 0.405 nan 8.250 nan 0.000 0.431 176 I N 1.201 121.900 120.570 0.215 0.000 2.406 176 I HA -0.048 4.122 4.170 -0.001 0.000 0.249 176 I C 0.364 176.552 176.117 0.119 0.000 1.122 176 I CA 1.395 62.773 61.300 0.131 0.000 1.431 176 I CB -0.241 37.833 38.000 0.123 0.000 1.087 176 I HN 0.566 nan 8.210 nan 0.000 0.424 177 E N 0.091 120.375 120.200 0.139 0.000 2.272 177 E HA 0.277 4.626 4.350 -0.001 0.000 0.269 177 E C -1.973 174.639 176.600 0.021 0.000 0.877 177 E CA -1.889 54.585 56.400 0.122 0.000 0.755 177 E CB 1.867 31.650 29.700 0.137 0.000 1.192 177 E HN -0.150 nan 8.360 nan 0.000 0.422 178 P HA -0.165 nan 4.420 nan 0.000 0.220 178 P C 0.736 177.992 177.300 -0.073 0.000 1.144 178 P CA 1.271 64.269 63.100 -0.171 0.000 0.800 178 P CB 0.250 31.672 31.700 -0.463 0.000 0.772 179 N N -1.828 116.853 118.700 -0.032 0.000 2.280 179 N HA 0.031 4.770 4.740 -0.001 0.000 0.192 179 N C 0.041 175.559 175.510 0.014 0.000 1.109 179 N CA 0.289 53.343 53.050 0.007 0.000 0.855 179 N CB -0.304 38.205 38.487 0.037 0.000 0.974 179 N HN 0.062 nan 8.380 nan 0.000 0.482 180 L N 0.998 122.234 121.223 0.022 0.000 2.352 180 L HA 0.599 4.938 4.340 -0.001 0.000 0.269 180 L C -2.156 174.715 176.870 0.001 0.000 1.034 180 L CA -2.446 52.407 54.840 0.023 0.000 0.806 180 L CB 0.978 43.072 42.059 0.060 0.000 1.244 180 L HN -0.142 nan 8.230 nan 0.000 0.447 181 P HA 0.070 nan 4.420 nan 0.000 0.267 181 P C -0.738 176.510 177.300 -0.086 0.000 1.201 181 P CA 0.069 63.122 63.100 -0.078 0.000 0.775 181 P CB 0.409 32.034 31.700 -0.125 0.000 0.854 182 S N 0.965 116.645 115.700 -0.034 0.000 2.610 182 S HA 0.321 4.791 4.470 -0.001 0.000 0.273 182 S C -0.532 174.051 174.600 -0.027 0.000 1.274 182 S CA -0.164 58.076 58.200 0.066 0.000 1.023 182 S CB 0.006 63.308 63.200 0.169 0.000 0.962 182 S HN 0.238 nan 8.310 nan 0.000 0.523 183 Y N 1.289 121.624 120.300 0.058 0.000 2.341 183 Y HA 0.330 4.880 4.550 -0.001 0.000 0.340 183 Y C 0.923 176.769 175.900 -0.091 0.000 0.997 183 Y CA -0.482 57.630 58.100 0.021 0.000 1.149 183 Y CB 0.628 39.095 38.460 0.011 0.000 1.171 183 Y HN 0.415 nan 8.280 nan 0.000 0.494 184 R N 4.299 124.758 120.500 -0.068 0.000 2.316 184 R HA 0.155 4.495 4.340 -0.001 0.000 0.314 184 R C 0.333 176.381 176.300 -0.421 0.000 1.069 184 R CA -0.015 55.723 56.100 -0.604 0.000 0.959 184 R CB 0.398 30.090 30.300 -1.014 0.000 0.987 184 R HN 0.793 nan 8.270 nan 0.000 0.446 185 I N 1.989 122.238 120.570 -0.536 0.000 2.400 185 I HA -0.068 4.101 4.170 -0.001 0.000 0.248 185 I C 1.348 177.282 176.117 -0.305 0.000 1.109 185 I CA 1.135 62.237 61.300 -0.330 0.000 1.425 185 I CB -0.798 36.960 38.000 -0.403 0.000 1.094 185 I HN 0.546 nan 8.210 nan 0.000 0.425 186 T N -3.783 110.456 114.554 -0.523 0.000 2.908 186 T HA 0.397 4.746 4.350 -0.001 0.000 0.290 186 T C -0.606 173.845 174.700 -0.414 0.000 1.034 186 T CA -0.535 61.370 62.100 -0.325 0.000 1.010 186 T CB 2.016 70.666 68.868 -0.363 0.000 1.068 186 T HN 0.192 nan 8.240 nan 0.000 0.481 187 W N 0.405 121.601 121.300 -0.173 0.000 2.534 187 W HA 0.231 4.890 4.660 -0.001 0.000 0.339 187 W C 1.945 178.414 176.519 -0.083 0.000 0.961 187 W CA -0.045 57.232 57.345 -0.113 0.000 1.545 187 W CB 0.351 29.764 29.460 -0.078 0.000 1.104 187 W HN 0.927 nan 8.180 nan 0.000 0.538 188 T N -2.794 111.806 114.554 0.076 0.000 3.086 188 T HA 0.272 4.621 4.350 -0.001 0.000 0.250 188 T C 1.267 175.963 174.700 -0.007 0.000 1.074 188 T CA 0.198 62.324 62.100 0.043 0.000 0.988 188 T CB -0.187 68.703 68.868 0.036 0.000 0.988 188 T HN -0.001 nan 8.240 nan 0.000 0.530 189 G N 1.406 110.174 108.800 -0.053 0.000 2.224 189 G HA2 0.296 4.255 3.960 -0.001 0.000 0.239 189 G HA3 0.296 4.255 3.960 -0.001 0.000 0.239 189 G C -0.565 174.274 174.900 -0.101 0.000 1.240 189 G CA -0.314 44.730 45.100 -0.092 0.000 0.896 189 G HN 0.573 nan 8.290 nan 0.000 0.496 190 K N 2.099 122.415 120.400 -0.139 0.000 2.615 190 K HA 0.165 4.484 4.320 -0.001 0.000 0.249 190 K C -0.101 176.370 176.600 -0.216 0.000 0.977 190 K CA -0.653 55.552 56.287 -0.138 0.000 0.833 190 K CB 1.407 33.863 32.500 -0.073 0.000 1.208 190 K HN 0.642 nan 8.250 nan 0.000 0.443 191 E N 3.400 123.480 120.200 -0.199 0.000 2.820 191 E HA -0.177 4.173 4.350 -0.001 0.000 0.251 191 E C -0.624 175.871 176.600 -0.175 0.000 0.944 191 E CA 1.081 57.359 56.400 -0.204 0.000 0.955 191 E CB 0.209 29.828 29.700 -0.135 0.000 0.904 191 E HN 0.664 nan 8.360 nan 0.000 0.513 192 D N 2.260 122.524 120.400 -0.226 0.000 2.946 192 D HA -0.237 4.402 4.640 -0.001 0.000 0.202 192 D C 0.413 176.727 176.300 0.023 0.000 1.068 192 D CA 1.617 55.609 54.000 -0.013 0.000 1.011 192 D CB -1.036 39.796 40.800 0.053 0.000 1.105 192 D HN 0.526 nan 8.370 nan 0.000 0.425 193 I N -1.003 119.500 120.570 -0.111 0.000 3.623 193 I HA 0.088 4.258 4.170 -0.001 0.000 0.253 193 I C 0.371 176.539 176.117 0.086 0.000 1.144 193 I CA -0.030 61.292 61.300 0.037 0.000 1.461 193 I CB 0.644 38.652 38.000 0.014 0.000 1.575 193 I HN -0.168 nan 8.210 nan 0.000 0.445 194 I N 1.617 122.157 120.570 -0.049 0.000 2.355 194 I HA 0.265 4.435 4.170 -0.001 0.000 0.288 194 I C -1.402 174.697 176.117 -0.030 0.000 0.999 194 I CA -0.509 60.827 61.300 0.060 0.000 1.163 194 I CB 0.578 38.602 38.000 0.040 0.000 1.316 194 I HN 0.048 nan 8.210 nan 0.000 0.454 195 Y N 4.521 124.910 120.300 0.149 0.000 2.334 195 Y HA 0.386 4.936 4.550 -0.001 0.000 0.336 195 Y C 0.114 176.099 175.900 0.141 0.000 0.960 195 Y CA -0.861 57.330 58.100 0.152 0.000 1.164 195 Y CB 1.080 39.681 38.460 0.234 0.000 1.155 195 Y HN 0.471 nan 8.280 nan 0.000 0.478 196 N N 1.429 120.219 118.700 0.150 0.000 2.446 196 N HA 0.485 5.224 4.740 -0.001 0.000 0.265 196 N C 0.659 176.146 175.510 -0.038 0.000 0.975 196 N CA 0.122 53.200 53.050 0.047 0.000 0.928 196 N CB 1.662 40.063 38.487 -0.143 0.000 1.160 196 N HN 0.889 nan 8.380 nan 0.000 0.495 197 G N 1.512 110.325 108.800 0.022 0.000 2.199 197 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.254 197 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.254 197 G C 0.071 174.862 174.900 -0.182 0.000 0.982 197 G CA 0.591 45.624 45.100 -0.111 0.000 0.632 197 G HN 0.611 nan 8.290 nan 0.000 0.529 198 I N -1.448 119.076 120.570 -0.076 0.000 2.934 198 I HA 0.815 4.984 4.170 -0.001 0.000 0.306 198 I C 0.407 176.526 176.117 0.003 0.000 1.110 198 I CA -0.679 60.452 61.300 -0.283 0.000 1.019 198 I CB 1.913 39.580 38.000 -0.554 0.000 1.227 198 I HN 0.164 nan 8.210 nan 0.000 0.434 199 T N -0.604 113.862 114.554 -0.146 0.000 2.847 199 T HA 0.387 4.736 4.350 -0.001 0.000 0.279 199 T C -0.223 174.157 174.700 -0.532 0.000 0.984 199 T CA -0.602 61.214 62.100 -0.475 0.000 0.988 199 T CB 1.187 69.830 68.868 -0.375 0.000 1.040 199 T HN 0.782 nan 8.240 nan 0.000 0.528 200 D N -0.767 119.079 120.400 -0.924 0.000 2.511 200 D HA 0.070 4.709 4.640 -0.001 0.000 0.276 200 D C 0.933 177.105 176.300 -0.214 0.000 1.220 200 D CA -1.172 52.346 54.000 -0.802 0.000 1.077 200 D CB 0.049 40.372 40.800 -0.795 0.000 1.126 200 D HN 0.697 nan 8.370 nan 0.000 0.583 201 W N 0.111 121.314 121.300 -0.162 0.000 2.318 201 W HA -0.236 4.424 4.660 -0.001 0.000 0.313 201 W C 2.042 178.411 176.519 -0.249 0.000 1.221 201 W CA 2.995 60.236 57.345 -0.175 0.000 1.266 201 W CB -0.323 28.977 29.460 -0.268 0.000 1.150 201 W HN 0.216 nan 8.180 nan 0.000 0.496 202 V N -1.596 118.329 119.914 0.019 0.000 2.358 202 V HA -0.308 3.811 4.120 -0.001 0.000 0.246 202 V C 1.792 177.631 176.094 -0.426 0.000 1.047 202 V CA 1.750 63.935 62.300 -0.191 0.000 1.035 202 V CB -1.769 29.946 31.823 -0.181 0.000 0.658 202 V HN 0.226 nan 8.190 nan 0.000 0.452 203 Y N 1.184 121.172 120.300 -0.519 0.000 2.181 203 Y HA -0.170 4.379 4.550 -0.001 0.000 0.288 203 Y C 2.852 178.416 175.900 -0.561 0.000 1.146 203 Y CA 2.212 59.894 58.100 -0.696 0.000 1.164 203 Y CB -0.235 37.570 38.460 -1.092 0.000 0.982 203 Y HN 0.333 nan 8.280 nan 0.000 0.515 204 E N 0.265 120.284 120.200 -0.302 0.000 2.023 204 E HA -0.329 4.020 4.350 -0.001 0.000 0.196 204 E C 2.077 178.545 176.600 -0.219 0.000 1.003 204 E CA 1.779 58.071 56.400 -0.179 0.000 0.809 204 E CB -0.090 29.546 29.700 -0.107 0.000 0.755 204 E HN 0.407 nan 8.360 nan 0.000 0.449 205 E N -0.056 119.839 120.200 -0.509 0.000 2.076 205 E HA -0.143 4.206 4.350 -0.001 0.000 0.190 205 E C 1.641 178.076 176.600 -0.275 0.000 0.979 205 E CA 1.514 57.621 56.400 -0.488 0.000 0.807 205 E CB 0.199 29.210 29.700 -1.148 0.000 0.761 205 E HN 0.274 nan 8.360 nan 0.000 0.454 206 E N -0.844 119.163 120.200 -0.323 0.000 2.399 206 E HA 0.095 4.444 4.350 -0.001 0.000 0.205 206 E C 1.894 178.361 176.600 -0.223 0.000 0.906 206 E CA 0.413 56.697 56.400 -0.194 0.000 0.998 206 E CB 0.735 30.321 29.700 -0.190 0.000 1.002 206 E HN 0.174 nan 8.360 nan 0.000 0.501 207 V N 0.468 120.169 119.914 -0.355 0.000 2.484 207 V HA -0.027 4.093 4.120 -0.001 0.000 0.236 207 V C 1.807 177.927 176.094 0.044 0.000 1.062 207 V CA 1.042 63.138 62.300 -0.340 0.000 1.081 207 V CB -0.332 30.997 31.823 -0.823 0.000 0.751 207 V HN 0.041 nan 8.190 nan 0.000 0.484 208 F N 0.371 120.303 119.950 -0.029 0.000 2.387 208 F HA 0.279 4.806 4.527 -0.001 0.000 0.294 208 F C 1.769 177.526 175.800 -0.071 0.000 1.093 208 F CA 0.224 58.233 58.000 0.015 0.000 1.420 208 F CB -0.938 38.114 39.000 0.087 0.000 1.086 208 F HN 0.175 nan 8.300 nan 0.000 0.531 209 S N -0.370 115.352 115.700 0.037 0.000 3.672 209 S HA 0.060 4.529 4.470 -0.001 0.000 0.319 209 S C 0.031 174.245 174.600 -0.643 0.000 1.151 209 S CA 0.411 58.520 58.200 -0.151 0.000 0.911 209 S CB -1.666 61.513 63.200 -0.034 0.000 0.939 209 S HN 0.707 nan 8.310 nan 0.000 0.524 210 A N -0.730 121.887 122.820 -0.339 0.000 2.612 210 A HA 0.709 5.029 4.320 -0.001 0.000 0.293 210 A C -0.416 177.136 177.584 -0.054 0.000 1.075 210 A CA -0.321 51.518 52.037 -0.329 0.000 0.680 210 A CB 0.447 19.323 19.000 -0.206 0.000 1.279 210 A HN 0.390 nan 8.150 nan 0.000 0.411 211 Y N 1.171 121.314 120.300 -0.261 0.000 2.397 211 Y HA 0.134 4.684 4.550 -0.001 0.000 0.292 211 Y C 1.546 177.186 175.900 -0.434 0.000 1.115 211 Y CA 1.051 59.004 58.100 -0.246 0.000 1.208 211 Y CB 0.299 38.637 38.460 -0.202 0.000 1.046 211 Y HN 0.689 nan 8.280 nan 0.000 0.552 212 S N 0.767 115.971 115.700 -0.826 0.000 2.533 212 S HA 0.348 4.817 4.470 -0.001 0.000 0.282 212 S C 0.136 174.309 174.600 -0.711 0.000 1.304 212 S CA 0.138 57.642 58.200 -1.159 0.000 1.063 212 S CB 0.917 63.180 63.200 -1.562 0.000 0.881 212 S HN 0.410 nan 8.310 nan 0.000 0.493 213 A N 6.013 128.429 122.820 -0.673 0.000 2.956 213 A HA 0.518 4.838 4.320 -0.001 0.000 0.294 213 A C -0.465 176.515 177.584 -1.006 0.000 0.993 213 A CA -0.469 51.158 52.037 -0.682 0.000 1.032 213 A CB -0.024 19.115 19.000 0.231 0.000 1.129 213 A HN 0.736 nan 8.150 nan 0.000 0.505 214 L N 0.471 120.947 121.223 -1.246 0.000 2.385 214 L HA 0.580 4.919 4.340 -0.001 0.000 0.273 214 L C -1.237 175.177 176.870 -0.760 0.000 0.990 214 L CA -0.524 53.905 54.840 -0.685 0.000 0.821 214 L CB 1.962 43.801 42.059 -0.367 0.000 1.279 214 L HN 0.475 nan 8.230 nan 0.000 0.412 215 W N 2.677 124.010 121.300 0.054 0.000 2.631 215 W HA 0.224 4.884 4.660 -0.001 0.000 0.321 215 W C -1.060 175.677 176.519 0.364 0.000 1.004 215 W CA -1.045 56.446 57.345 0.243 0.000 1.291 215 W CB 1.305 30.943 29.460 0.297 0.000 1.300 215 W HN 0.481 nan 8.180 nan 0.000 0.422 216 W N 2.328 123.836 121.300 0.347 0.000 2.170 216 W HA 0.212 4.871 4.660 -0.001 0.000 0.336 216 W C 1.305 177.585 176.519 -0.398 0.000 1.283 216 W CA 0.370 57.763 57.345 0.080 0.000 1.224 216 W CB 0.737 30.214 29.460 0.029 0.000 1.132 216 W HN 0.175 nan 8.180 nan 0.000 0.571 217 S N 2.407 117.761 115.700 -0.577 0.000 2.593 217 S HA 0.149 4.619 4.470 -0.001 0.000 0.269 217 S C -1.752 172.551 174.600 -0.495 0.000 1.334 217 S CA -1.034 56.283 58.200 -1.473 0.000 1.015 217 S CB 0.997 63.526 63.200 -1.118 0.000 0.912 217 S HN 0.283 nan 8.310 nan 0.000 0.541 218 P HA -0.166 nan 4.420 nan 0.000 0.217 218 P C 0.904 178.153 177.300 -0.084 0.000 1.151 218 P CA 1.630 64.674 63.100 -0.095 0.000 0.849 218 P CB -0.214 31.480 31.700 -0.010 0.000 0.787 219 N N -1.984 116.652 118.700 -0.106 0.000 2.230 219 N HA 0.122 4.862 4.740 -0.001 0.000 0.202 219 N C 1.130 176.555 175.510 -0.141 0.000 1.119 219 N CA 0.511 53.499 53.050 -0.102 0.000 0.851 219 N CB -0.593 37.850 38.487 -0.074 0.000 0.990 219 N HN 0.190 nan 8.380 nan 0.000 0.497 220 G N -0.880 107.844 108.800 -0.127 0.000 2.176 220 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.253 220 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.253 220 G C 1.002 175.925 174.900 0.038 0.000 0.979 220 G CA 0.704 45.746 45.100 -0.097 0.000 0.641 220 G HN 0.375 nan 8.290 nan 0.000 0.530 221 T N 0.185 114.663 114.554 -0.126 0.000 2.708 221 T HA 0.159 4.508 4.350 -0.001 0.000 0.266 221 T C 0.839 175.353 174.700 -0.309 0.000 1.037 221 T CA 1.414 63.318 62.100 -0.326 0.000 1.146 221 T CB -0.108 68.369 68.868 -0.651 0.000 0.865 221 T HN 0.307 nan 8.240 nan 0.000 0.435 222 F N 0.425 120.409 119.950 0.056 0.000 2.450 222 F HA 0.601 5.127 4.527 -0.001 0.000 0.332 222 F C -0.209 175.643 175.800 0.086 0.000 1.093 222 F CA -1.665 56.401 58.000 0.111 0.000 1.003 222 F CB 1.080 40.214 39.000 0.224 0.000 1.151 222 F HN -0.100 nan 8.300 nan 0.000 0.474 223 L N 3.247 124.583 121.223 0.189 0.000 2.295 223 L HA 0.769 5.108 4.340 -0.001 0.000 0.281 223 L C -0.403 176.535 176.870 0.113 0.000 1.018 223 L CA -0.483 54.280 54.840 -0.128 0.000 0.841 223 L CB 0.438 42.174 42.059 -0.538 0.000 1.218 223 L HN 0.678 nan 8.230 nan 0.000 0.424 224 A N 4.990 127.961 122.820 0.251 0.000 2.304 224 A HA 0.714 5.034 4.320 -0.001 0.000 0.301 224 A C -1.211 176.467 177.584 0.158 0.000 1.132 224 A CA -0.221 51.868 52.037 0.088 0.000 0.819 224 A CB 0.399 19.506 19.000 0.178 0.000 1.094 224 A HN 0.842 nan 8.150 nan 0.000 0.492 225 Y N -1.636 118.497 120.300 -0.278 0.000 2.625 225 Y HA 0.778 5.327 4.550 -0.001 0.000 0.338 225 Y C -0.323 175.511 175.900 -0.110 0.000 1.123 225 Y CA -0.941 57.115 58.100 -0.073 0.000 1.046 225 Y CB 1.008 39.386 38.460 -0.136 0.000 1.299 225 Y HN 0.893 nan 8.280 nan 0.000 0.464 226 A N 1.758 124.760 122.820 0.302 0.000 2.337 226 A HA 0.673 4.992 4.320 -0.001 0.000 0.331 226 A C -1.316 176.255 177.584 -0.023 0.000 1.137 226 A CA -0.861 51.219 52.037 0.070 0.000 0.807 226 A CB 1.846 20.919 19.000 0.121 0.000 1.250 226 A HN 0.813 nan 8.150 nan 0.000 0.468 227 Q N 0.961 120.646 119.800 -0.192 0.000 2.340 227 Q HA 0.646 4.986 4.340 -0.001 0.000 0.268 227 Q C -2.062 173.723 176.000 -0.358 0.000 1.031 227 Q CA -0.389 55.382 55.803 -0.053 0.000 0.804 227 Q CB 1.172 30.060 28.738 0.251 0.000 1.286 227 Q HN 0.602 nan 8.270 nan 0.000 0.448 228 F N 2.201 122.245 119.950 0.156 0.000 2.495 228 F HA 0.433 4.960 4.527 -0.001 0.000 0.327 228 F C 0.260 176.189 175.800 0.215 0.000 1.103 228 F CA -0.947 57.105 58.000 0.086 0.000 0.949 228 F CB 1.595 40.529 39.000 -0.110 0.000 1.142 228 F HN 0.445 nan 8.300 nan 0.000 0.457 229 N N 1.613 120.511 118.700 0.330 0.000 2.443 229 N HA 0.250 4.989 4.740 -0.001 0.000 0.269 229 N C -1.068 174.599 175.510 0.260 0.000 0.985 229 N CA -0.391 52.819 53.050 0.267 0.000 0.921 229 N CB 1.236 39.830 38.487 0.178 0.000 1.195 229 N HN 0.583 nan 8.380 nan 0.000 0.492 230 D N 1.368 121.940 120.400 0.287 0.000 2.501 230 D HA 0.162 4.802 4.640 -0.001 0.000 0.226 230 D C 1.091 177.497 176.300 0.178 0.000 1.198 230 D CA 0.050 54.200 54.000 0.249 0.000 0.830 230 D CB 0.623 41.629 40.800 0.343 0.000 1.014 230 D HN 0.477 nan 8.370 nan 0.000 0.496 231 T N 0.397 115.038 114.554 0.144 0.000 2.620 231 T HA -0.233 4.116 4.350 -0.001 0.000 0.267 231 T C 1.270 176.021 174.700 0.085 0.000 1.044 231 T CA 1.420 63.581 62.100 0.101 0.000 1.161 231 T CB -0.066 68.852 68.868 0.083 0.000 0.862 231 T HN 0.314 nan 8.240 nan 0.000 0.438 232 E N 0.353 120.603 120.200 0.084 0.000 2.465 232 E HA 0.191 4.540 4.350 -0.001 0.000 0.195 232 E C -0.502 176.143 176.600 0.074 0.000 1.028 232 E CA -0.254 56.186 56.400 0.068 0.000 0.899 232 E CB 0.590 30.322 29.700 0.054 0.000 1.032 232 E HN 0.209 nan 8.360 nan 0.000 0.468 233 V N 3.631 123.602 119.914 0.095 0.000 2.508 233 V HA 0.089 4.208 4.120 -0.001 0.000 0.281 233 V C -1.993 174.156 176.094 0.092 0.000 1.041 233 V CA -1.456 60.905 62.300 0.101 0.000 1.016 233 V CB 0.217 32.116 31.823 0.127 0.000 0.984 233 V HN 0.049 nan 8.190 nan 0.000 0.478 234 P HA 0.264 nan 4.420 nan 0.000 0.272 234 P C -0.803 176.537 177.300 0.066 0.000 1.230 234 P CA -0.292 62.846 63.100 0.064 0.000 0.788 234 P CB 0.504 32.240 31.700 0.060 0.000 0.949 235 L N 2.383 123.624 121.223 0.030 0.000 2.282 235 L HA 0.393 4.732 4.340 -0.001 0.000 0.288 235 L C 0.390 177.223 176.870 -0.062 0.000 1.033 235 L CA -0.895 53.948 54.840 0.004 0.000 0.807 235 L CB 0.916 42.971 42.059 -0.006 0.000 1.209 235 L HN 0.299 nan 8.230 nan 0.000 0.423 236 I N 3.004 123.497 120.570 -0.129 0.000 2.529 236 I HA 0.155 4.324 4.170 -0.001 0.000 0.284 236 I C -0.171 175.816 176.117 -0.215 0.000 1.082 236 I CA 0.376 61.507 61.300 -0.283 0.000 1.406 236 I CB 0.527 38.111 38.000 -0.693 0.000 1.405 236 I HN 0.595 nan 8.210 nan 0.000 0.548 237 E N 7.212 127.303 120.200 -0.182 0.000 2.234 237 E HA 0.504 4.853 4.350 -0.001 0.000 0.266 237 E C -1.736 174.815 176.600 -0.081 0.000 0.877 237 E CA -0.558 55.734 56.400 -0.179 0.000 0.758 237 E CB 1.910 31.529 29.700 -0.135 0.000 1.170 237 E HN 0.565 nan 8.360 nan 0.000 0.415 238 Y N -1.582 118.629 120.300 -0.149 0.000 2.625 238 Y HA 0.584 5.133 4.550 -0.001 0.000 0.338 238 Y C -0.572 175.256 175.900 -0.120 0.000 1.123 238 Y CA -1.319 56.702 58.100 -0.132 0.000 1.046 238 Y CB 0.911 39.297 38.460 -0.122 0.000 1.299 238 Y HN 0.194 nan 8.280 nan 0.000 0.464 239 S N 1.678 117.370 115.700 -0.012 0.000 2.565 239 S HA 0.456 4.925 4.470 -0.001 0.000 0.274 239 S C -1.428 173.016 174.600 -0.260 0.000 1.309 239 S CA -0.387 57.647 58.200 -0.276 0.000 1.043 239 S CB 0.234 63.104 63.200 -0.549 0.000 0.939 239 S HN 0.535 nan 8.310 nan 0.000 0.504 240 F N 2.650 122.324 119.950 -0.461 0.000 2.499 240 F HA 0.405 4.932 4.527 -0.001 0.000 0.333 240 F C -0.205 175.371 175.800 -0.373 0.000 1.138 240 F CA -0.766 57.064 58.000 -0.284 0.000 0.945 240 F CB 0.765 39.720 39.000 -0.075 0.000 1.181 240 F HN 0.680 nan 8.300 nan 0.000 0.435 241 Y N 2.717 122.799 120.300 -0.365 0.000 2.365 241 Y HA 0.080 4.629 4.550 -0.001 0.000 0.293 241 Y C 1.741 177.552 175.900 -0.150 0.000 1.119 241 Y CA 1.163 59.139 58.100 -0.206 0.000 1.203 241 Y CB -0.513 37.819 38.460 -0.214 0.000 1.026 241 Y HN 0.733 nan 8.280 nan 0.000 0.549 242 S N -0.077 115.497 115.700 -0.210 0.000 3.443 242 S HA -0.330 4.140 4.470 -0.001 0.000 0.635 242 S C -0.123 174.510 174.600 0.056 0.000 2.555 242 S CA 0.253 58.486 58.200 0.056 0.000 2.778 242 S CB -1.380 61.982 63.200 0.269 0.000 0.331 242 S HN 0.610 nan 8.310 nan 0.000 1.765 243 D N 1.258 121.717 120.400 0.098 0.000 2.419 243 D HA 0.187 4.827 4.640 -0.001 0.000 0.236 243 D C 1.622 177.952 176.300 0.050 0.000 1.165 243 D CA 0.835 54.875 54.000 0.067 0.000 0.882 243 D CB 0.424 41.267 40.800 0.070 0.000 1.201 243 D HN 0.601 nan 8.370 nan 0.000 0.443 244 E N 0.806 121.024 120.200 0.030 0.000 2.331 244 E HA -0.201 4.148 4.350 -0.001 0.000 0.199 244 E C 1.397 178.009 176.600 0.020 0.000 1.008 244 E CA 0.766 57.177 56.400 0.017 0.000 0.843 244 E CB 0.001 29.703 29.700 0.003 0.000 0.761 244 E HN 0.241 nan 8.360 nan 0.000 0.507 245 S N 0.400 116.119 115.700 0.031 0.000 2.382 245 S HA -0.081 4.388 4.470 -0.001 0.000 0.228 245 S C 0.716 175.340 174.600 0.040 0.000 1.027 245 S CA 0.308 58.528 58.200 0.032 0.000 0.991 245 S CB -0.287 62.936 63.200 0.039 0.000 0.823 245 S HN 0.309 nan 8.310 nan 0.000 0.469 246 L N 2.756 124.013 121.223 0.056 0.000 2.562 246 L HA 0.080 4.419 4.340 -0.001 0.000 0.271 246 L C 1.231 178.132 176.870 0.052 0.000 1.167 246 L CA 0.459 55.343 54.840 0.073 0.000 0.917 246 L CB 0.315 42.432 42.059 0.097 0.000 1.187 246 L HN 0.180 nan 8.230 nan 0.000 0.482 247 Q N 4.022 123.855 119.800 0.054 0.000 2.083 247 Q HA -0.080 4.259 4.340 -0.001 0.000 0.198 247 Q C -0.522 175.385 176.000 -0.155 0.000 0.969 247 Q CA 1.285 57.063 55.803 -0.042 0.000 0.838 247 Q CB 0.158 28.889 28.738 -0.012 0.000 0.900 247 Q HN 0.675 nan 8.270 nan 0.000 0.436 248 Y N 0.606 120.919 120.300 0.020 0.000 2.341 248 Y HA 0.400 4.950 4.550 -0.001 0.000 0.338 248 Y C -2.075 173.832 175.900 0.012 0.000 0.965 248 Y CA -2.950 55.158 58.100 0.014 0.000 1.108 248 Y CB 1.450 39.911 38.460 0.001 0.000 1.180 248 Y HN 0.152 nan 8.280 nan 0.000 0.458 249 P HA 0.038 nan 4.420 nan 0.000 0.269 249 P C -0.807 176.500 177.300 0.012 0.000 1.215 249 P CA -0.524 62.592 63.100 0.027 0.000 0.780 249 P CB 0.736 32.389 31.700 -0.079 0.000 0.898 250 K N 0.985 121.380 120.400 -0.008 0.000 2.143 250 K HA 0.320 4.639 4.320 -0.001 0.000 0.272 250 K C -0.659 175.893 176.600 -0.081 0.000 1.001 250 K CA -0.338 55.942 56.287 -0.011 0.000 0.915 250 K CB 0.453 32.976 32.500 0.038 0.000 1.047 250 K HN 0.330 nan 8.250 nan 0.000 0.458 251 T N 3.191 117.684 114.554 -0.101 0.000 2.733 251 T HA 0.206 4.556 4.350 -0.001 0.000 0.294 251 T C -0.473 174.097 174.700 -0.216 0.000 0.956 251 T CA -0.639 61.366 62.100 -0.158 0.000 0.987 251 T CB 0.922 69.713 68.868 -0.129 0.000 0.920 251 T HN 0.292 nan 8.240 nan 0.000 0.470 252 V N 5.538 125.227 119.914 -0.376 0.000 2.583 252 V HA 0.417 4.536 4.120 -0.001 0.000 0.287 252 V C 0.463 176.276 176.094 -0.468 0.000 1.051 252 V CA -0.473 61.540 62.300 -0.478 0.000 1.010 252 V CB 0.810 32.146 31.823 -0.812 0.000 0.988 252 V HN 0.730 nan 8.190 nan 0.000 0.478 253 R N 3.386 123.737 120.500 -0.247 0.000 2.483 253 R HA 0.701 5.040 4.340 -0.001 0.000 0.303 253 R C -1.717 174.559 176.300 -0.039 0.000 0.987 253 R CA -0.549 55.458 56.100 -0.155 0.000 0.881 253 R CB 2.161 32.404 30.300 -0.096 0.000 1.177 253 R HN 0.518 nan 8.270 nan 0.000 0.451 254 V N 3.547 123.445 119.914 -0.027 0.000 2.588 254 V HA 0.377 4.497 4.120 -0.001 0.000 0.304 254 V C -2.378 173.769 176.094 0.087 0.000 1.042 254 V CA -2.625 59.727 62.300 0.086 0.000 0.877 254 V CB 2.179 34.024 31.823 0.038 0.000 0.996 254 V HN 0.595 nan 8.190 nan 0.000 0.425 255 P HA 0.189 nan 4.420 nan 0.000 0.265 255 P C -1.281 176.128 177.300 0.182 0.000 1.222 255 P CA 0.421 63.625 63.100 0.173 0.000 0.767 255 P CB -0.205 31.636 31.700 0.235 0.000 0.801 256 Y N 5.722 126.010 120.300 -0.021 0.000 2.287 256 Y HA 0.350 4.900 4.550 -0.001 0.000 0.325 256 Y C -2.771 173.110 175.900 -0.031 0.000 1.139 256 Y CA -2.798 55.248 58.100 -0.090 0.000 1.167 256 Y CB 1.943 40.239 38.460 -0.273 0.000 1.158 256 Y HN 0.298 nan 8.280 nan 0.000 0.434 257 P HA 0.209 nan 4.420 nan 0.000 0.279 257 P C -1.020 176.357 177.300 0.128 0.000 1.318 257 P CA 0.001 63.153 63.100 0.086 0.000 0.819 257 P CB 0.791 32.509 31.700 0.030 0.000 0.927 258 K N 1.994 122.545 120.400 0.251 0.000 2.120 258 K HA 0.507 4.827 4.320 -0.001 0.000 0.245 258 K C 0.526 177.230 176.600 0.174 0.000 1.024 258 K CA -0.747 55.698 56.287 0.265 0.000 0.906 258 K CB 0.474 33.139 32.500 0.274 0.000 1.051 258 K HN 0.401 nan 8.250 nan 0.000 0.491 259 A N 0.947 123.893 122.820 0.210 0.000 2.583 259 A HA 0.212 4.531 4.320 -0.001 0.000 0.249 259 A C 1.253 178.885 177.584 0.080 0.000 1.035 259 A CA 1.106 53.257 52.037 0.189 0.000 0.777 259 A CB -1.326 17.878 19.000 0.341 0.000 0.942 259 A HN 0.927 nan 8.150 nan 0.000 0.516 260 G N 0.919 109.753 108.800 0.056 0.000 2.179 260 G HA2 0.112 4.071 3.960 -0.001 0.000 0.260 260 G HA3 0.112 4.071 3.960 -0.001 0.000 0.260 260 G C 0.663 175.577 174.900 0.024 0.000 0.977 260 G CA 0.811 45.916 45.100 0.008 0.000 0.641 260 G HN 2.236 nan 8.290 nan 0.000 0.533 261 A N -0.351 122.500 122.820 0.052 0.000 2.259 261 A HA 0.798 5.117 4.320 -0.001 0.000 0.278 261 A C 1.063 178.677 177.584 0.050 0.000 1.107 261 A CA 0.388 52.457 52.037 0.055 0.000 0.828 261 A CB 0.775 19.823 19.000 0.080 0.000 1.111 261 A HN 1.897 nan 8.150 nan 0.000 0.498 262 V N 0.912 120.855 119.914 0.049 0.000 2.572 262 V HA 0.272 4.391 4.120 -0.001 0.000 0.291 262 V C -0.072 176.060 176.094 0.063 0.000 1.039 262 V CA -0.540 61.788 62.300 0.046 0.000 1.055 262 V CB 0.021 31.870 31.823 0.043 0.000 0.969 262 V HN 0.736 nan 8.190 nan 0.000 0.482 263 N N 6.403 125.137 118.700 0.058 0.000 2.476 263 N HA 0.570 5.309 4.740 -0.001 0.000 0.275 263 N C -2.539 173.040 175.510 0.116 0.000 1.190 263 N CA -1.585 51.519 53.050 0.091 0.000 0.977 263 N CB 0.995 39.529 38.487 0.078 0.000 1.200 263 N HN 0.650 nan 8.380 nan 0.000 0.515 264 P HA 0.082 nan 4.420 nan 0.000 0.272 264 P C -0.426 177.003 177.300 0.214 0.000 1.230 264 P CA -0.107 63.125 63.100 0.219 0.000 0.788 264 P CB 0.355 32.225 31.700 0.283 0.000 0.949 265 T N -1.576 113.085 114.554 0.179 0.000 2.936 265 T HA 0.574 4.924 4.350 -0.001 0.000 0.282 265 T C -0.209 174.584 174.700 0.156 0.000 1.003 265 T CA -0.841 61.330 62.100 0.117 0.000 1.005 265 T CB 1.464 70.374 68.868 0.070 0.000 1.097 265 T HN 0.341 nan 8.240 nan 0.000 0.532 266 V N 0.307 120.283 119.914 0.103 0.000 2.841 266 V HA 0.712 4.832 4.120 -0.001 0.000 0.310 266 V C -1.481 174.659 176.094 0.076 0.000 1.090 266 V CA -0.843 61.454 62.300 -0.004 0.000 0.930 266 V CB 2.043 33.877 31.823 0.018 0.000 1.014 266 V HN 1.014 nan 8.190 nan 0.000 0.425 267 K N 4.564 124.951 120.400 -0.021 0.000 2.435 267 K HA 0.587 4.907 4.320 -0.001 0.000 0.251 267 K C -1.898 174.611 176.600 -0.151 0.000 0.954 267 K CA -0.526 55.727 56.287 -0.056 0.000 0.820 267 K CB 2.818 35.293 32.500 -0.042 0.000 1.292 267 K HN 0.557 nan 8.250 nan 0.000 0.436 268 F N 2.240 121.867 119.950 -0.538 0.000 2.520 268 F HA 0.580 5.107 4.527 -0.001 0.000 0.322 268 F C -1.527 173.734 175.800 -0.898 0.000 1.103 268 F CA -0.680 57.012 58.000 -0.513 0.000 0.926 268 F CB 0.898 39.733 39.000 -0.274 0.000 1.154 268 F HN 0.380 nan 8.300 nan 0.000 0.453 269 F N 4.076 123.323 119.950 -1.171 0.000 2.588 269 F HA 0.706 5.232 4.527 -0.001 0.000 0.310 269 F C -1.058 174.164 175.800 -0.963 0.000 1.082 269 F CA -1.224 56.209 58.000 -0.945 0.000 0.929 269 F CB 2.024 40.383 39.000 -1.069 0.000 1.254 269 F HN 0.134 nan 8.300 nan 0.000 0.455 270 V N 2.820 122.554 119.914 -0.299 0.000 2.588 270 V HA 0.657 4.777 4.120 -0.001 0.000 0.304 270 V C -1.078 175.119 176.094 0.173 0.000 1.042 270 V CA -0.875 61.325 62.300 -0.168 0.000 0.877 270 V CB 1.955 33.463 31.823 -0.526 0.000 0.996 270 V HN 0.618 nan 8.190 nan 0.000 0.425 271 V N 4.401 124.475 119.914 0.266 0.000 2.604 271 V HA 0.559 4.678 4.120 -0.001 0.000 0.305 271 V C -0.317 175.996 176.094 0.364 0.000 1.043 271 V CA -0.611 61.868 62.300 0.297 0.000 0.888 271 V CB 2.054 33.994 31.823 0.194 0.000 0.995 271 V HN 0.931 nan 8.190 nan 0.000 0.429 272 N N 3.824 122.738 118.700 0.358 0.000 2.401 272 N HA 0.111 4.850 4.740 -0.001 0.000 0.255 272 N C 1.183 176.714 175.510 0.035 0.000 1.110 272 N CA 0.670 53.837 53.050 0.196 0.000 0.949 272 N CB 1.699 40.289 38.487 0.171 0.000 1.110 272 N HN 0.910 nan 8.380 nan 0.000 0.490 273 T N -0.057 114.491 114.554 -0.009 0.000 2.995 273 T HA -0.038 4.311 4.350 -0.001 0.000 0.269 273 T C 0.841 175.481 174.700 -0.100 0.000 1.091 273 T CA 0.731 62.812 62.100 -0.031 0.000 1.128 273 T CB 0.085 69.024 68.868 0.119 0.000 0.891 273 T HN 0.281 nan 8.240 nan 0.000 0.492 274 D N 2.236 122.566 120.400 -0.116 0.000 2.264 274 D HA -0.019 4.621 4.640 -0.001 0.000 0.208 274 D C 1.832 178.079 176.300 -0.088 0.000 0.966 274 D CA 1.295 55.226 54.000 -0.115 0.000 0.864 274 D CB -0.158 40.556 40.800 -0.143 0.000 0.933 274 D HN 0.682 nan 8.370 nan 0.000 0.499 275 S N -0.314 115.346 115.700 -0.068 0.000 2.574 275 S HA 0.184 4.654 4.470 -0.001 0.000 0.242 275 S C 0.452 175.029 174.600 -0.039 0.000 0.982 275 S CA -0.643 57.541 58.200 -0.026 0.000 0.977 275 S CB 0.170 63.385 63.200 0.026 0.000 0.814 275 S HN -0.123 nan 8.310 nan 0.000 0.464 276 L N 2.654 123.788 121.223 -0.147 0.000 2.483 276 L HA 0.503 4.842 4.340 -0.001 0.000 0.276 276 L C 0.522 177.355 176.870 -0.062 0.000 1.213 276 L CA 0.548 55.241 54.840 -0.245 0.000 0.843 276 L CB 1.001 42.570 42.059 -0.818 0.000 1.107 276 L HN 0.431 nan 8.230 nan 0.000 0.487 277 S N 0.183 115.987 115.700 0.173 0.000 2.549 277 S HA 0.456 4.925 4.470 -0.001 0.000 0.280 277 S C 0.515 175.346 174.600 0.385 0.000 1.109 277 S CA -0.428 57.939 58.200 0.278 0.000 0.905 277 S CB 1.528 64.818 63.200 0.151 0.000 1.081 277 S HN 0.548 nan 8.310 nan 0.000 0.477 278 S N 2.025 117.886 115.700 0.267 0.000 2.562 278 S HA 0.014 4.483 4.470 -0.001 0.000 0.221 278 S C 1.445 176.099 174.600 0.090 0.000 0.975 278 S CA 0.728 58.993 58.200 0.110 0.000 0.918 278 S CB -0.021 63.197 63.200 0.029 0.000 0.772 278 S HN 0.907 nan 8.310 nan 0.000 0.531 279 V N -0.945 119.030 119.914 0.103 0.000 3.645 279 V HA 0.335 4.455 4.120 -0.001 0.000 0.275 279 V C 0.657 176.792 176.094 0.069 0.000 1.356 279 V CA 0.388 62.731 62.300 0.071 0.000 1.051 279 V CB -0.186 31.671 31.823 0.057 0.000 0.828 279 V HN 0.411 nan 8.190 nan 0.000 0.441 280 T N -0.706 113.905 114.554 0.094 0.000 2.900 280 T HA 0.508 4.857 4.350 -0.001 0.000 0.295 280 T C -0.506 174.263 174.700 0.115 0.000 1.044 280 T CA -0.608 61.538 62.100 0.078 0.000 0.995 280 T CB 2.012 70.918 68.868 0.064 0.000 1.072 280 T HN 0.142 nan 8.240 nan 0.000 0.473 281 N N 1.273 120.024 118.700 0.084 0.000 2.415 281 N HA 0.459 5.199 4.740 -0.001 0.000 0.248 281 N C 0.264 175.856 175.510 0.137 0.000 1.271 281 N CA -0.044 53.087 53.050 0.135 0.000 0.913 281 N CB 0.795 39.300 38.487 0.030 0.000 1.129 281 N HN 1.004 nan 8.380 nan 0.000 0.444 282 A N 0.716 123.638 122.820 0.171 0.000 2.371 282 A HA 0.310 4.629 4.320 -0.001 0.000 0.257 282 A C 0.124 177.774 177.584 0.110 0.000 1.089 282 A CA -0.059 52.052 52.037 0.123 0.000 0.794 282 A CB 0.139 19.195 19.000 0.093 0.000 1.029 282 A HN 0.519 nan 8.150 nan 0.000 0.488 283 T N 2.617 117.239 114.554 0.114 0.000 2.753 283 T HA 0.411 4.760 4.350 -0.001 0.000 0.297 283 T C 0.017 174.813 174.700 0.161 0.000 0.981 283 T CA 0.050 62.226 62.100 0.126 0.000 0.956 283 T CB 0.323 69.270 68.868 0.131 0.000 0.936 283 T HN 0.566 nan 8.240 nan 0.000 0.463 284 S N 4.129 119.921 115.700 0.152 0.000 2.480 284 S HA 0.452 4.921 4.470 -0.001 0.000 0.286 284 S C 0.095 174.854 174.600 0.265 0.000 1.180 284 S CA -0.861 57.458 58.200 0.197 0.000 1.075 284 S CB 0.529 63.788 63.200 0.100 0.000 0.996 284 S HN 0.477 nan 8.310 nan 0.000 0.487 285 I N 3.176 123.918 120.570 0.286 0.000 2.315 285 I HA 0.271 4.441 4.170 -0.001 0.000 0.291 285 I C 0.552 176.790 176.117 0.201 0.000 1.006 285 I CA -0.269 61.200 61.300 0.281 0.000 1.265 285 I CB 0.845 39.086 38.000 0.402 0.000 1.387 285 I HN 0.695 nan 8.210 nan 0.000 0.475 286 Q N 6.237 126.122 119.800 0.143 0.000 2.259 286 Q HA 0.507 4.847 4.340 -0.001 0.000 0.249 286 Q C -1.100 174.840 176.000 -0.101 0.000 0.914 286 Q CA -0.405 55.295 55.803 -0.171 0.000 0.904 286 Q CB 1.386 29.974 28.738 -0.249 0.000 1.213 286 Q HN 0.548 nan 8.270 nan 0.000 0.428 287 I N 3.634 124.120 120.570 -0.141 0.000 2.389 287 I HA 0.243 4.412 4.170 -0.001 0.000 0.288 287 I C 0.095 176.181 176.117 -0.052 0.000 0.999 287 I CA -0.775 60.514 61.300 -0.017 0.000 1.129 287 I CB 1.758 39.805 38.000 0.078 0.000 1.288 287 I HN 0.686 nan 8.210 nan 0.000 0.444 288 T N 2.738 117.231 114.554 -0.102 0.000 2.922 288 T HA 0.685 5.035 4.350 -0.001 0.000 0.285 288 T C 0.260 174.739 174.700 -0.369 0.000 1.005 288 T CA -0.780 61.199 62.100 -0.203 0.000 1.061 288 T CB 1.783 70.536 68.868 -0.192 0.000 1.007 288 T HN 0.618 nan 8.240 nan 0.000 0.502 289 A N 3.237 125.588 122.820 -0.781 0.000 2.425 289 A HA 0.566 4.885 4.320 -0.001 0.000 0.242 289 A C -2.156 174.914 177.584 -0.857 0.000 1.077 289 A CA -1.428 49.690 52.037 -1.533 0.000 0.781 289 A CB -0.913 16.685 19.000 -2.335 0.000 1.020 289 A HN 0.724 nan 8.150 nan 0.000 0.494 290 P HA 0.137 nan 4.420 nan 0.000 0.268 290 P C 0.832 177.918 177.300 -0.357 0.000 1.208 290 P CA 0.714 63.575 63.100 -0.397 0.000 0.777 290 P CB 0.540 32.074 31.700 -0.276 0.000 0.875 291 A N 2.333 125.016 122.820 -0.228 0.000 1.940 291 A HA -0.209 4.111 4.320 -0.001 0.000 0.219 291 A C 2.079 179.563 177.584 -0.166 0.000 1.176 291 A CA 2.359 54.286 52.037 -0.183 0.000 0.631 291 A CB -1.783 17.143 19.000 -0.123 0.000 0.814 291 A HN 0.627 nan 8.150 nan 0.000 0.446 292 S N -1.570 114.056 115.700 -0.123 0.000 2.547 292 S HA -0.017 4.452 4.470 -0.001 0.000 0.235 292 S C 1.580 176.129 174.600 -0.085 0.000 0.980 292 S CA 1.363 59.522 58.200 -0.069 0.000 0.941 292 S CB -0.262 62.967 63.200 0.048 0.000 0.763 292 S HN 0.435 nan 8.310 nan 0.000 0.532 293 M N 0.221 119.692 119.600 -0.216 0.000 2.730 293 M HA 0.365 4.844 4.480 -0.001 0.000 0.258 293 M C 1.849 177.902 176.300 -0.410 0.000 1.279 293 M CA 0.483 55.597 55.300 -0.310 0.000 1.183 293 M CB -0.826 31.457 32.600 -0.528 0.000 1.291 293 M HN 0.316 nan 8.290 nan 0.000 0.518 294 L N 1.346 122.310 121.223 -0.432 0.000 2.353 294 L HA -0.152 4.187 4.340 -0.001 0.000 0.220 294 L C 2.334 179.131 176.870 -0.122 0.000 1.133 294 L CA 0.740 55.404 54.840 -0.294 0.000 0.798 294 L CB -0.770 41.136 42.059 -0.255 0.000 0.922 294 L HN 0.333 nan 8.230 nan 0.000 0.445 295 I N -2.860 117.643 120.570 -0.111 0.000 2.614 295 I HA 0.049 4.218 4.170 -0.001 0.000 0.258 295 I C 1.155 177.254 176.117 -0.030 0.000 1.189 295 I CA 0.887 62.147 61.300 -0.067 0.000 1.462 295 I CB -0.515 37.440 38.000 -0.075 0.000 1.092 295 I HN 0.101 nan 8.210 nan 0.000 0.442 296 G N 0.058 108.858 108.800 0.001 0.000 2.911 296 G HA2 0.300 4.259 3.960 -0.001 0.000 0.299 296 G HA3 0.300 4.259 3.960 -0.001 0.000 0.299 296 G C -1.750 173.220 174.900 0.117 0.000 1.283 296 G CA -0.514 44.606 45.100 0.033 0.000 0.805 296 G HN 0.018 nan 8.290 nan 0.000 0.548 297 D N 1.170 121.585 120.400 0.025 0.000 2.414 297 D HA 0.427 5.067 4.640 -0.001 0.000 0.242 297 D C 0.303 176.557 176.300 -0.076 0.000 1.129 297 D CA 0.629 54.581 54.000 -0.081 0.000 0.885 297 D CB 0.531 41.246 40.800 -0.142 0.000 1.198 297 D HN 0.528 nan 8.370 nan 0.000 0.437 298 H N -0.669 118.267 119.070 -0.223 0.000 2.933 298 H HA 0.439 4.995 4.556 -0.001 0.000 0.310 298 H C -1.378 173.797 175.328 -0.255 0.000 1.351 298 H CA -0.800 55.125 56.048 -0.206 0.000 1.137 298 H CB 0.361 30.130 29.762 0.012 0.000 1.853 298 H HN 0.294 nan 8.280 nan 0.000 0.539 299 Y N 0.002 120.514 120.300 0.354 0.000 2.545 299 Y HA 0.379 4.929 4.550 -0.001 0.000 0.348 299 Y C -0.347 175.833 175.900 0.466 0.000 1.002 299 Y CA -1.136 57.172 58.100 0.348 0.000 1.039 299 Y CB 2.004 40.514 38.460 0.083 0.000 1.271 299 Y HN 0.486 nan 8.280 nan 0.000 0.467 300 L N 3.227 124.792 121.223 0.570 0.000 2.281 300 L HA 0.369 4.708 4.340 -0.001 0.000 0.285 300 L C 0.473 177.491 176.870 0.247 0.000 1.074 300 L CA -0.146 54.677 54.840 -0.028 0.000 0.817 300 L CB 0.323 42.249 42.059 -0.221 0.000 1.168 300 L HN 0.994 nan 8.230 nan 0.000 0.434 301 C N 1.415 120.729 119.300 0.025 0.000 3.403 301 C HA 0.511 4.970 4.460 -0.001 0.000 0.317 301 C C 0.179 175.205 174.990 0.060 0.000 1.346 301 C CA -0.344 58.765 59.018 0.152 0.000 1.743 301 C CB -0.625 27.165 27.740 0.082 0.000 2.308 301 C HN 0.858 nan 8.230 nan 0.000 0.675 302 D N 0.211 120.476 120.400 -0.225 0.000 2.836 302 D HA 0.394 5.034 4.640 -0.001 0.000 0.215 302 D C -1.873 174.024 176.300 -0.672 0.000 1.255 302 D CA 0.111 53.889 54.000 -0.371 0.000 0.822 302 D CB 2.727 43.367 40.800 -0.267 0.000 1.656 302 D HN 0.047 nan 8.370 nan 0.000 0.511 303 V N 2.574 121.981 119.914 -0.846 0.000 2.483 303 V HA 0.549 4.669 4.120 -0.001 0.000 0.297 303 V C -0.313 175.334 176.094 -0.745 0.000 1.027 303 V CA -0.347 61.299 62.300 -1.090 0.000 0.855 303 V CB 1.871 32.549 31.823 -1.909 0.000 0.995 303 V HN 0.626 nan 8.190 nan 0.000 0.424 304 T N 3.810 118.022 114.554 -0.571 0.000 2.949 304 T HA 0.343 4.692 4.350 -0.001 0.000 0.300 304 T C -0.812 173.709 174.700 -0.298 0.000 0.988 304 T CA -0.430 61.496 62.100 -0.289 0.000 0.993 304 T CB 0.732 69.504 68.868 -0.160 0.000 0.984 304 T HN 0.535 nan 8.240 nan 0.000 0.442 305 W N 2.223 123.432 121.300 -0.152 0.000 2.210 305 W HA 0.448 5.108 4.660 -0.001 0.000 0.330 305 W C 1.146 177.504 176.519 -0.267 0.000 1.334 305 W CA -0.281 56.969 57.345 -0.159 0.000 1.227 305 W CB 0.567 30.023 29.460 -0.008 0.000 1.178 305 W HN 0.836 nan 8.180 nan 0.000 0.560 306 A N 2.068 124.745 122.820 -0.237 0.000 1.963 306 A HA 0.209 4.529 4.320 -0.001 0.000 0.207 306 A C 0.847 178.362 177.584 -0.115 0.000 1.243 306 A CA 1.454 53.111 52.037 -0.634 0.000 0.728 306 A CB -0.253 17.859 19.000 -1.479 0.000 0.895 306 A HN 0.527 nan 8.150 nan 0.000 0.467 307 T N -5.485 109.110 114.554 0.068 0.000 2.681 307 T HA 0.324 4.673 4.350 -0.001 0.000 0.296 307 T C 0.066 174.915 174.700 0.250 0.000 1.157 307 T CA -0.370 61.817 62.100 0.146 0.000 1.025 307 T CB 0.678 69.623 68.868 0.127 0.000 1.441 307 T HN -0.031 nan 8.240 nan 0.000 0.504 308 Q N 0.220 120.135 119.800 0.193 0.000 2.291 308 Q HA -0.001 4.338 4.340 -0.001 0.000 0.206 308 Q C 0.812 177.057 176.000 0.409 0.000 0.976 308 Q CA 1.474 57.397 55.803 0.200 0.000 0.875 308 Q CB -0.080 28.737 28.738 0.132 0.000 0.927 308 Q HN 0.820 nan 8.270 nan 0.000 0.450 309 E N -0.296 120.155 120.200 0.418 0.000 2.810 309 E HA 0.183 4.532 4.350 -0.001 0.000 0.214 309 E C -0.238 176.674 176.600 0.521 0.000 0.980 309 E CA -0.164 56.521 56.400 0.475 0.000 1.159 309 E CB 1.029 30.900 29.700 0.284 0.000 1.047 309 E HN -0.031 nan 8.360 nan 0.000 0.484 310 R N 1.637 122.422 120.500 0.476 0.000 2.538 310 R HA 0.526 4.866 4.340 -0.001 0.000 0.292 310 R C -1.738 174.576 176.300 0.023 0.000 1.008 310 R CA -0.461 55.788 56.100 0.249 0.000 0.896 310 R CB 1.304 31.645 30.300 0.068 0.000 1.187 310 R HN 0.064 nan 8.270 nan 0.000 0.440 311 I N 3.401 123.812 120.570 -0.265 0.000 2.498 311 I HA 0.389 4.558 4.170 -0.001 0.000 0.290 311 I C -0.882 174.897 176.117 -0.563 0.000 1.032 311 I CA -0.453 60.411 61.300 -0.726 0.000 1.073 311 I CB 2.117 39.237 38.000 -1.467 0.000 1.251 311 I HN 0.833 nan 8.210 nan 0.000 0.426 312 S N 7.889 123.248 115.700 -0.568 0.000 2.509 312 S HA 0.741 5.210 4.470 -0.001 0.000 0.297 312 S C -1.097 173.163 174.600 -0.567 0.000 1.118 312 S CA -0.716 57.227 58.200 -0.427 0.000 1.074 312 S CB 1.665 64.727 63.200 -0.232 0.000 1.038 312 S HN 0.442 nan 8.310 nan 0.000 0.498 313 L N 2.392 123.298 121.223 -0.528 0.000 2.385 313 L HA 0.541 4.880 4.340 -0.001 0.000 0.273 313 L C -0.222 176.320 176.870 -0.547 0.000 0.990 313 L CA -0.296 54.112 54.840 -0.721 0.000 0.821 313 L CB 1.561 43.132 42.059 -0.814 0.000 1.279 313 L HN 0.862 nan 8.230 nan 0.000 0.412 314 Q N 2.126 121.558 119.800 -0.614 0.000 2.322 314 Q HA 0.444 4.783 4.340 -0.001 0.000 0.265 314 Q C -1.536 174.205 176.000 -0.430 0.000 0.985 314 Q CA -0.400 55.176 55.803 -0.379 0.000 0.849 314 Q CB 2.048 30.626 28.738 -0.266 0.000 1.274 314 Q HN 0.483 nan 8.270 nan 0.000 0.449 315 W N 2.762 124.011 121.300 -0.085 0.000 2.627 315 W HA 0.643 5.303 4.660 -0.001 0.000 0.339 315 W C -0.687 175.862 176.519 0.050 0.000 1.058 315 W CA -0.536 56.812 57.345 0.005 0.000 1.223 315 W CB 1.224 30.664 29.460 -0.035 0.000 1.389 315 W HN 0.306 nan 8.180 nan 0.000 0.541 316 L N 2.977 124.438 121.223 0.397 0.000 2.410 316 L HA 0.524 4.863 4.340 -0.001 0.000 0.270 316 L C 0.037 177.114 176.870 0.345 0.000 0.983 316 L CA -1.094 53.938 54.840 0.320 0.000 0.822 316 L CB 1.661 43.909 42.059 0.315 0.000 1.285 316 L HN 0.479 nan 8.230 nan 0.000 0.409 317 R N 1.957 122.623 120.500 0.277 0.000 2.641 317 R HA 0.164 4.503 4.340 -0.001 0.000 0.269 317 R C 0.957 177.328 176.300 0.120 0.000 1.074 317 R CA -0.213 56.002 56.100 0.193 0.000 1.133 317 R CB 0.943 31.355 30.300 0.187 0.000 1.029 317 R HN 0.599 nan 8.270 nan 0.000 0.488 318 R N 1.514 121.996 120.500 -0.029 0.000 2.117 318 R HA -0.093 4.247 4.340 -0.001 0.000 0.243 318 R C 0.296 176.647 176.300 0.084 0.000 1.143 318 R CA 1.296 57.359 56.100 -0.061 0.000 0.968 318 R CB -0.048 30.171 30.300 -0.135 0.000 0.863 318 R HN 0.477 nan 8.270 nan 0.000 0.444 319 I N 2.042 122.653 120.570 0.070 0.000 2.308 319 I HA 0.014 4.183 4.170 -0.001 0.000 0.293 319 I C 0.380 176.565 176.117 0.114 0.000 1.078 319 I CA 0.169 61.514 61.300 0.075 0.000 1.292 319 I CB 1.517 39.547 38.000 0.049 0.000 1.423 319 I HN 0.162 nan 8.210 nan 0.000 0.493 320 Q N 4.788 124.654 119.800 0.110 0.000 2.292 320 Q HA -0.028 4.312 4.340 -0.001 0.000 0.235 320 Q C 0.530 176.622 176.000 0.154 0.000 0.910 320 Q CA -0.013 55.872 55.803 0.137 0.000 0.952 320 Q CB -0.361 28.423 28.738 0.076 0.000 1.089 320 Q HN 0.661 nan 8.270 nan 0.000 0.431 321 N N -0.959 117.831 118.700 0.150 0.000 2.214 321 N HA -0.048 4.692 4.740 -0.001 0.000 0.214 321 N C -1.024 174.610 175.510 0.206 0.000 1.132 321 N CA -0.138 52.996 53.050 0.139 0.000 0.856 321 N CB 0.315 38.857 38.487 0.091 0.000 1.020 321 N HN 0.150 nan 8.380 nan 0.000 0.509 322 Y N 1.345 121.683 120.300 0.064 0.000 2.315 322 Y HA 0.511 5.061 4.550 -0.001 0.000 0.324 322 Y C -1.031 174.918 175.900 0.082 0.000 1.062 322 Y CA -1.151 56.985 58.100 0.059 0.000 1.159 322 Y CB 1.324 39.809 38.460 0.042 0.000 1.145 322 Y HN 0.150 nan 8.280 nan 0.000 0.442 323 S N 4.078 119.629 115.700 -0.249 0.000 2.542 323 S HA 0.917 5.387 4.470 -0.001 0.000 0.293 323 S C -1.662 172.773 174.600 -0.275 0.000 1.089 323 S CA -0.766 57.350 58.200 -0.140 0.000 0.961 323 S CB 1.995 65.178 63.200 -0.028 0.000 1.062 323 S HN 0.368 nan 8.310 nan 0.000 0.483 324 V N 3.211 123.070 119.914 -0.092 0.000 2.588 324 V HA 0.509 4.629 4.120 -0.001 0.000 0.304 324 V C -0.394 175.718 176.094 0.031 0.000 1.042 324 V CA -0.678 61.584 62.300 -0.063 0.000 0.877 324 V CB 1.748 33.561 31.823 -0.016 0.000 0.996 324 V HN 1.039 nan 8.190 nan 0.000 0.425 325 M N 4.081 123.677 119.600 -0.006 0.000 2.088 325 M HA 0.484 4.964 4.480 -0.001 0.000 0.346 325 M C -1.108 175.204 176.300 0.019 0.000 1.111 325 M CA -0.290 54.984 55.300 -0.044 0.000 1.017 325 M CB 0.823 33.334 32.600 -0.147 0.000 1.568 325 M HN 0.587 nan 8.290 nan 0.000 0.445 326 D N 5.130 125.539 120.400 0.014 0.000 2.193 326 D HA 0.521 5.161 4.640 -0.001 0.000 0.249 326 D C -0.923 175.347 176.300 -0.051 0.000 1.034 326 D CA 0.027 54.035 54.000 0.014 0.000 0.902 326 D CB 1.763 42.589 40.800 0.044 0.000 1.182 326 D HN 0.624 nan 8.370 nan 0.000 0.436 327 I N 1.929 122.496 120.570 -0.005 0.000 2.439 327 I HA 0.243 4.413 4.170 -0.001 0.000 0.285 327 I C -0.775 175.341 176.117 -0.002 0.000 1.021 327 I CA -0.484 60.803 61.300 -0.021 0.000 1.091 327 I CB 1.298 39.343 38.000 0.074 0.000 1.242 327 I HN 0.200 nan 8.210 nan 0.000 0.439 328 c N 3.827 122.410 118.600 -0.029 0.000 2.379 328 c HA 0.546 5.116 4.570 -0.001 0.000 0.323 328 c C -0.380 173.849 174.090 0.232 0.000 1.262 328 c CA -0.840 55.536 56.329 0.078 0.000 1.581 328 c CB 0.899 43.444 42.510 0.058 0.000 2.221 328 c HN 0.565 nan 8.230 nan 0.000 0.497 329 D N 0.568 121.099 120.400 0.219 0.000 2.163 329 D HA 0.326 4.966 4.640 -0.001 0.000 0.248 329 D C -0.511 175.781 176.300 -0.013 0.000 1.035 329 D CA -0.167 53.939 54.000 0.178 0.000 0.872 329 D CB 0.809 41.647 40.800 0.064 0.000 1.183 329 D HN 0.583 nan 8.370 nan 0.000 0.445 330 Y N 1.342 121.272 120.300 -0.617 0.000 2.411 330 Y HA 0.207 4.756 4.550 -0.001 0.000 0.333 330 Y C -0.125 175.453 175.900 -0.537 0.000 1.186 330 Y CA 0.062 57.391 58.100 -1.284 0.000 1.381 330 Y CB 0.792 38.367 38.460 -1.476 0.000 1.273 330 Y HN 0.159 nan 8.280 nan 0.000 0.546 331 D N 5.355 125.081 120.400 -1.122 0.000 2.441 331 D HA 0.132 4.771 4.640 -0.001 0.000 0.231 331 D C 0.411 176.155 176.300 -0.927 0.000 1.073 331 D CA -0.146 53.418 54.000 -0.725 0.000 0.850 331 D CB 0.938 41.470 40.800 -0.447 0.000 1.062 331 D HN 0.835 nan 8.370 nan 0.000 0.524 332 E N 1.432 121.320 120.200 -0.519 0.000 2.086 332 E HA -0.227 4.122 4.350 -0.001 0.000 0.200 332 E C 1.709 178.195 176.600 -0.190 0.000 1.012 332 E CA 1.724 57.983 56.400 -0.235 0.000 0.812 332 E CB 0.146 29.837 29.700 -0.016 0.000 0.743 332 E HN 0.563 nan 8.360 nan 0.000 0.453 333 S N 1.045 116.641 115.700 -0.173 0.000 2.336 333 S HA -0.122 4.347 4.470 -0.001 0.000 0.214 333 S C 2.313 176.837 174.600 -0.127 0.000 1.032 333 S CA 1.146 59.280 58.200 -0.109 0.000 1.001 333 S CB -0.541 62.611 63.200 -0.080 0.000 0.953 333 S HN 0.059 nan 8.310 nan 0.000 0.430 334 S N 1.478 117.076 115.700 -0.170 0.000 2.378 334 S HA 0.063 4.533 4.470 -0.001 0.000 0.229 334 S C 1.798 176.320 174.600 -0.130 0.000 1.052 334 S CA 1.602 59.715 58.200 -0.144 0.000 1.084 334 S CB -1.403 61.692 63.200 -0.175 0.000 0.950 334 S HN 1.452 nan 8.310 nan 0.000 0.440 335 G N 0.985 109.628 108.800 -0.261 0.000 2.132 335 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.234 335 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.234 335 G C 0.092 174.954 174.900 -0.063 0.000 0.989 335 G CA 0.148 45.189 45.100 -0.099 0.000 0.676 335 G HN 0.431 nan 8.290 nan 0.000 0.522 336 R N -1.717 118.633 120.500 -0.249 0.000 2.875 336 R HA 0.694 5.033 4.340 -0.001 0.000 0.251 336 R C -0.817 175.308 176.300 -0.291 0.000 1.123 336 R CA -0.724 55.318 56.100 -0.098 0.000 1.064 336 R CB 0.945 31.221 30.300 -0.041 0.000 1.205 336 R HN 0.145 nan 8.270 nan 0.000 0.503 337 W N 0.226 121.517 121.300 -0.014 0.000 2.666 337 W HA 0.423 5.083 4.660 -0.001 0.000 0.334 337 W C -0.288 176.207 176.519 -0.040 0.000 1.051 337 W CA -0.451 56.883 57.345 -0.018 0.000 1.224 337 W CB 1.407 30.864 29.460 -0.005 0.000 1.405 337 W HN 0.240 nan 8.180 nan 0.000 0.513 338 N N 1.889 120.682 118.700 0.156 0.000 2.260 338 N HA 0.456 5.196 4.740 -0.001 0.000 0.293 338 N C -1.749 173.804 175.510 0.073 0.000 1.058 338 N CA -0.494 52.599 53.050 0.073 0.000 0.824 338 N CB 1.904 40.392 38.487 0.003 0.000 1.551 338 N HN 0.218 nan 8.380 nan 0.000 0.475 339 c N 2.215 120.839 118.600 0.040 0.000 2.281 339 c HA 0.487 5.057 4.570 -0.001 0.000 0.323 339 c C 0.595 174.689 174.090 0.007 0.000 1.270 339 c CA -0.911 55.432 56.329 0.024 0.000 1.559 339 c CB -0.718 41.794 42.510 0.004 0.000 2.239 339 c HN 0.533 nan 8.230 nan 0.000 0.488 340 L N 3.514 124.747 121.223 0.015 0.000 2.313 340 L HA 0.172 4.511 4.340 -0.001 0.000 0.282 340 L C 1.417 178.285 176.870 -0.003 0.000 1.092 340 L CA -0.106 54.737 54.840 0.005 0.000 0.831 340 L CB 0.879 42.947 42.059 0.014 0.000 1.159 340 L HN 0.653 nan 8.230 nan 0.000 0.442 341 V N 2.680 122.584 119.914 -0.017 0.000 2.380 341 V HA -0.350 3.769 4.120 -0.001 0.000 0.251 341 V C 2.288 178.360 176.094 -0.036 0.000 1.063 341 V CA 2.150 64.433 62.300 -0.028 0.000 1.055 341 V CB -0.914 30.889 31.823 -0.033 0.000 0.657 341 V HN 1.003 nan 8.190 nan 0.000 0.455 342 A N -0.444 122.358 122.820 -0.030 0.000 2.248 342 A HA -0.079 4.241 4.320 -0.001 0.000 0.210 342 A C 2.136 179.690 177.584 -0.050 0.000 1.174 342 A CA 0.912 52.924 52.037 -0.043 0.000 0.750 342 A CB -0.367 18.618 19.000 -0.026 0.000 0.780 342 A HN 0.562 nan 8.150 nan 0.000 0.478 343 R N -0.605 119.887 120.500 -0.014 0.000 2.397 343 R HA 0.144 4.483 4.340 -0.001 0.000 0.241 343 R C -0.115 176.222 176.300 0.062 0.000 0.914 343 R CA -0.130 56.002 56.100 0.053 0.000 1.071 343 R CB 0.265 30.634 30.300 0.116 0.000 1.116 343 R HN 0.583 nan 8.270 nan 0.000 0.524 344 Q N 0.911 120.688 119.800 -0.039 0.000 2.332 344 Q HA 0.085 4.424 4.340 -0.001 0.000 0.263 344 Q C -0.921 174.991 176.000 -0.147 0.000 0.979 344 Q CA 0.416 56.212 55.803 -0.012 0.000 0.885 344 Q CB 0.786 29.504 28.738 -0.033 0.000 1.218 344 Q HN 0.161 nan 8.270 nan 0.000 0.405 345 H N 1.537 120.610 119.070 0.005 0.000 2.489 345 H HA 0.447 5.002 4.556 -0.001 0.000 0.343 345 H C -0.718 174.586 175.328 -0.040 0.000 1.086 345 H CA -0.446 55.616 56.048 0.023 0.000 1.198 345 H CB 1.053 30.848 29.762 0.056 0.000 1.490 345 H HN 0.452 nan 8.280 nan 0.000 0.504 346 I N 1.867 122.459 120.570 0.037 0.000 2.412 346 I HA 0.262 4.432 4.170 -0.001 0.000 0.296 346 I C -0.087 175.996 176.117 -0.057 0.000 0.987 346 I CA -0.384 60.854 61.300 -0.103 0.000 1.180 346 I CB 1.565 39.486 38.000 -0.132 0.000 1.340 346 I HN 0.542 nan 8.210 nan 0.000 0.455 347 E N 7.854 127.969 120.200 -0.142 0.000 2.244 347 E HA 0.540 4.889 4.350 -0.001 0.000 0.260 347 E C -1.258 175.289 176.600 -0.089 0.000 0.884 347 E CA -0.650 55.718 56.400 -0.054 0.000 0.777 347 E CB 1.495 31.183 29.700 -0.019 0.000 1.197 347 E HN 0.594 nan 8.360 nan 0.000 0.416 348 M N 1.007 120.600 119.600 -0.012 0.000 2.691 348 M HA 0.676 5.155 4.480 -0.001 0.000 0.293 348 M C -0.944 175.386 176.300 0.049 0.000 1.259 348 M CA -0.948 54.380 55.300 0.047 0.000 0.827 348 M CB 2.319 35.006 32.600 0.145 0.000 1.753 348 M HN 0.224 nan 8.290 nan 0.000 0.465 349 S N -0.566 115.166 115.700 0.053 0.000 2.575 349 S HA 0.520 4.989 4.470 -0.001 0.000 0.278 349 S C 0.164 174.772 174.600 0.012 0.000 1.139 349 S CA -0.061 58.150 58.200 0.018 0.000 0.954 349 S CB 1.747 64.934 63.200 -0.023 0.000 1.054 349 S HN 0.916 nan 8.310 nan 0.000 0.483 350 T N -0.010 114.548 114.554 0.007 0.000 3.060 350 T HA 0.089 4.439 4.350 -0.001 0.000 0.249 350 T C 1.340 176.030 174.700 -0.017 0.000 1.079 350 T CA 0.827 62.928 62.100 0.002 0.000 1.013 350 T CB -0.275 68.597 68.868 0.008 0.000 0.975 350 T HN 0.647 nan 8.240 nan 0.000 0.518 351 T N -2.337 112.200 114.554 -0.027 0.000 2.990 351 T HA 0.617 4.967 4.350 -0.001 0.000 0.249 351 T C 1.180 175.713 174.700 -0.278 0.000 1.039 351 T CA 0.332 62.411 62.100 -0.036 0.000 1.036 351 T CB 0.522 69.451 68.868 0.103 0.000 0.994 351 T HN 0.578 nan 8.240 nan 0.000 0.489 352 G N 0.459 108.940 108.800 -0.531 0.000 2.899 352 G HA2 0.487 4.447 3.960 -0.001 0.000 0.137 352 G HA3 0.487 4.447 3.960 -0.001 0.000 0.137 352 G C -1.599 173.066 174.900 -0.392 0.000 1.198 352 G CA -0.505 44.079 45.100 -0.860 0.000 1.126 352 G HN 0.477 nan 8.290 nan 0.000 0.589 353 W N -0.336 120.737 121.300 -0.379 0.000 2.365 353 W HA 0.774 5.433 4.660 -0.001 0.000 0.410 353 W C -0.123 176.380 176.519 -0.028 0.000 1.634 353 W CA -1.233 56.017 57.345 -0.158 0.000 1.761 353 W CB 0.806 30.144 29.460 -0.204 0.000 1.485 353 W HN 0.492 nan 8.180 nan 0.000 0.706 354 V N 2.721 122.742 119.914 0.180 0.000 2.394 354 V HA 0.795 4.915 4.120 -0.001 0.000 0.282 354 V C 0.290 176.484 176.094 0.167 0.000 1.031 354 V CA 0.420 62.775 62.300 0.091 0.000 0.881 354 V CB 0.194 32.062 31.823 0.075 0.000 0.982 354 V HN 1.743 nan 8.190 nan 0.000 0.451 355 G N 6.107 114.954 108.800 0.079 0.000 2.756 355 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.678 355 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.678 355 G C 0.183 175.191 174.900 0.179 0.000 1.349 355 G CA 0.171 45.344 45.100 0.122 0.000 0.847 355 G HN 0.916 nan 8.290 nan 0.000 0.548 356 R N -0.702 119.890 120.500 0.154 0.000 2.061 356 R HA 0.087 4.426 4.340 -0.001 0.000 0.230 356 R C 2.042 178.293 176.300 -0.082 0.000 1.140 356 R CA 2.333 58.469 56.100 0.060 0.000 0.940 356 R CB -0.136 30.224 30.300 0.100 0.000 0.839 356 R HN 0.497 nan 8.270 nan 0.000 0.429 357 F N -1.029 119.076 119.950 0.257 0.000 2.778 357 F HA 0.262 4.788 4.527 -0.001 0.000 0.314 357 F C 0.560 176.415 175.800 0.093 0.000 1.073 357 F CA -0.564 57.528 58.000 0.155 0.000 1.218 357 F CB 0.700 39.782 39.000 0.137 0.000 1.037 357 F HN -0.105 nan 8.300 nan 0.000 0.594 358 R N -0.380 120.291 120.500 0.285 0.000 2.692 358 R HA 0.462 4.801 4.340 -0.001 0.000 0.269 358 R C -3.382 173.008 176.300 0.151 0.000 1.030 358 R CA -1.943 54.260 56.100 0.173 0.000 0.882 358 R CB 0.597 30.979 30.300 0.137 0.000 1.250 358 R HN -0.343 nan 8.270 nan 0.000 0.465 359 P HA -0.025 nan 4.420 nan 0.000 0.264 359 P C -0.228 177.099 177.300 0.045 0.000 1.183 359 P CA 0.192 63.326 63.100 0.057 0.000 0.763 359 P CB 0.814 32.520 31.700 0.010 0.000 0.807 360 S N 1.836 117.566 115.700 0.049 0.000 2.576 360 S HA 0.047 4.517 4.470 -0.001 0.000 0.272 360 S C 0.270 174.859 174.600 -0.018 0.000 1.352 360 S CA -0.531 57.703 58.200 0.056 0.000 1.021 360 S CB 0.020 63.273 63.200 0.088 0.000 0.887 360 S HN 0.475 nan 8.310 nan 0.000 0.542 361 E N 3.593 123.787 120.200 -0.010 0.000 2.301 361 E HA 0.387 4.737 4.350 -0.001 0.000 0.275 361 E C -2.815 173.680 176.600 -0.174 0.000 1.030 361 E CA -2.148 54.178 56.400 -0.122 0.000 0.852 361 E CB 0.681 30.308 29.700 -0.120 0.000 1.060 361 E HN 0.275 nan 8.360 nan 0.000 0.401 362 P HA 0.252 nan 4.420 nan 0.000 0.286 362 P C -0.779 176.299 177.300 -0.369 0.000 1.261 362 P CA -0.352 62.523 63.100 -0.375 0.000 0.821 362 P CB 0.730 31.871 31.700 -0.931 0.000 1.013 363 H N 2.258 121.334 119.070 0.011 0.000 2.718 363 H HA 0.286 4.841 4.556 -0.001 0.000 0.295 363 H C -0.266 175.188 175.328 0.209 0.000 1.051 363 H CA -0.352 55.791 56.048 0.159 0.000 1.260 363 H CB 0.173 30.048 29.762 0.188 0.000 1.403 363 H HN 0.308 nan 8.280 nan 0.000 0.488 364 F N 2.109 122.224 119.950 0.275 0.000 2.429 364 F HA 0.027 4.554 4.527 -0.001 0.000 0.348 364 F C 1.634 177.613 175.800 0.298 0.000 1.109 364 F CA -0.353 57.818 58.000 0.285 0.000 1.232 364 F CB 0.875 39.975 39.000 0.166 0.000 1.157 364 F HN 0.369 nan 8.300 nan 0.000 0.564 365 T N 1.666 116.505 114.554 0.476 0.000 2.802 365 T HA 0.037 4.386 4.350 -0.001 0.000 0.305 365 T C 1.377 176.265 174.700 0.313 0.000 1.053 365 T CA -0.930 61.394 62.100 0.373 0.000 1.058 365 T CB 0.725 69.799 68.868 0.344 0.000 0.988 365 T HN 0.575 nan 8.240 nan 0.000 0.539 366 L N 1.330 122.691 121.223 0.230 0.000 2.021 366 L HA -0.159 4.180 4.340 -0.001 0.000 0.215 366 L C 2.205 179.180 176.870 0.174 0.000 1.074 366 L CA 2.855 57.805 54.840 0.182 0.000 0.760 366 L CB -1.490 40.651 42.059 0.137 0.000 0.889 366 L HN 0.996 nan 8.230 nan 0.000 0.433 367 D N -1.174 119.330 120.400 0.172 0.000 2.371 367 D HA -0.035 4.604 4.640 -0.001 0.000 0.221 367 D C 1.497 177.901 176.300 0.172 0.000 0.986 367 D CA 0.936 55.027 54.000 0.152 0.000 0.899 367 D CB -0.546 40.333 40.800 0.131 0.000 0.902 367 D HN 0.481 nan 8.370 nan 0.000 0.530 368 G N 0.597 109.539 108.800 0.237 0.000 2.153 368 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.252 368 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.252 368 G C 0.762 175.852 174.900 0.316 0.000 0.994 368 G CA 0.398 45.662 45.100 0.272 0.000 0.698 368 G HN 0.411 nan 8.290 nan 0.000 0.521 369 N N -0.321 118.542 118.700 0.271 0.000 2.236 369 N HA 0.241 4.980 4.740 -0.001 0.000 0.196 369 N C 0.511 176.139 175.510 0.196 0.000 1.114 369 N CA 0.971 54.150 53.050 0.215 0.000 0.859 369 N CB 0.943 39.515 38.487 0.140 0.000 0.982 369 N HN 0.464 nan 8.380 nan 0.000 0.493 370 S N -0.123 115.727 115.700 0.249 0.000 2.579 370 S HA 0.734 5.203 4.470 -0.001 0.000 0.272 370 S C -1.866 172.806 174.600 0.121 0.000 1.141 370 S CA -0.763 57.472 58.200 0.057 0.000 0.843 370 S CB 0.878 64.112 63.200 0.056 0.000 1.122 370 S HN 0.126 nan 8.310 nan 0.000 0.468 371 F N 0.318 120.096 119.950 -0.287 0.000 2.693 371 F HA 0.746 5.272 4.527 -0.001 0.000 0.309 371 F C -2.233 173.402 175.800 -0.276 0.000 1.129 371 F CA -1.230 56.539 58.000 -0.386 0.000 0.948 371 F CB 0.557 38.895 39.000 -1.104 0.000 1.315 371 F HN 0.504 nan 8.300 nan 0.000 0.447 372 Y N 1.582 122.015 120.300 0.222 0.000 2.446 372 Y HA 0.703 5.253 4.550 -0.001 0.000 0.338 372 Y C -0.216 175.834 175.900 0.250 0.000 1.055 372 Y CA -0.733 57.495 58.100 0.213 0.000 1.101 372 Y CB 2.183 40.738 38.460 0.158 0.000 1.221 372 Y HN 0.811 nan 8.280 nan 0.000 0.460 373 K N 1.681 122.290 120.400 0.348 0.000 2.587 373 K HA 0.517 4.836 4.320 -0.001 0.000 0.276 373 K C -2.118 174.602 176.600 0.200 0.000 0.956 373 K CA -0.677 55.764 56.287 0.256 0.000 0.857 373 K CB 1.327 33.908 32.500 0.136 0.000 1.431 373 K HN 0.686 nan 8.250 nan 0.000 0.420 374 I N 4.399 125.065 120.570 0.161 0.000 2.416 374 I HA 0.341 4.511 4.170 -0.001 0.000 0.288 374 I C 0.119 176.315 176.117 0.133 0.000 1.051 374 I CA -0.588 60.791 61.300 0.132 0.000 1.375 374 I CB 0.469 38.538 38.000 0.113 0.000 1.407 374 I HN 0.575 nan 8.210 nan 0.000 0.516 375 I N 1.505 122.176 120.570 0.168 0.000 3.102 375 I HA 0.486 4.655 4.170 -0.001 0.000 0.310 375 I C -0.460 175.783 176.117 0.209 0.000 1.246 375 I CA -0.873 60.528 61.300 0.169 0.000 0.979 375 I CB 2.155 40.270 38.000 0.191 0.000 1.267 375 I HN 0.292 nan 8.210 nan 0.000 0.451 376 S N 3.174 118.941 115.700 0.111 0.000 2.531 376 S HA 0.204 4.674 4.470 -0.001 0.000 0.279 376 S C -0.005 174.667 174.600 0.119 0.000 1.305 376 S CA -0.695 57.528 58.200 0.037 0.000 1.058 376 S CB 0.095 63.246 63.200 -0.082 0.000 0.899 376 S HN 0.791 nan 8.310 nan 0.000 0.493 377 N N 1.966 120.651 118.700 -0.024 0.000 2.374 377 N HA 0.053 4.793 4.740 -0.001 0.000 0.284 377 N C 1.086 176.501 175.510 -0.159 0.000 1.280 377 N CA -0.650 52.237 53.050 -0.271 0.000 0.963 377 N CB 0.123 38.063 38.487 -0.912 0.000 1.141 377 N HN 0.586 nan 8.380 nan 0.000 0.565 378 E N -0.524 119.559 120.200 -0.196 0.000 2.265 378 E HA -0.211 4.138 4.350 -0.001 0.000 0.196 378 E C 0.341 176.881 176.600 -0.101 0.000 0.996 378 E CA 1.376 57.710 56.400 -0.110 0.000 0.832 378 E CB -0.496 29.143 29.700 -0.101 0.000 0.756 378 E HN 0.812 nan 8.360 nan 0.000 0.491 379 E N 0.092 120.229 120.200 -0.105 0.000 2.479 379 E HA 0.182 4.532 4.350 -0.001 0.000 0.193 379 E C 0.669 177.203 176.600 -0.110 0.000 1.049 379 E CA 0.314 56.689 56.400 -0.041 0.000 0.870 379 E CB 0.374 30.114 29.700 0.067 0.000 0.944 379 E HN 0.490 nan 8.360 nan 0.000 0.492 380 G N 1.138 109.835 108.800 -0.171 0.000 2.157 380 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.239 380 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.239 380 G C -0.273 174.365 174.900 -0.436 0.000 0.982 380 G CA -0.173 44.737 45.100 -0.317 0.000 0.650 380 G HN 0.235 nan 8.290 nan 0.000 0.527 381 Y N 0.450 120.638 120.300 -0.187 0.000 2.323 381 Y HA 0.624 5.173 4.550 -0.001 0.000 0.331 381 Y C 1.244 177.030 175.900 -0.190 0.000 1.092 381 Y CA -0.740 57.242 58.100 -0.197 0.000 1.150 381 Y CB 0.898 39.252 38.460 -0.178 0.000 1.200 381 Y HN 0.071 nan 8.280 nan 0.000 0.472 382 R N 3.697 124.115 120.500 -0.137 0.000 2.248 382 R HA 0.252 4.592 4.340 -0.001 0.000 0.328 382 R C -0.763 175.326 176.300 -0.353 0.000 1.067 382 R CA 0.017 56.036 56.100 -0.135 0.000 0.924 382 R CB 0.082 30.328 30.300 -0.090 0.000 1.013 382 R HN 0.666 nan 8.270 nan 0.000 0.454 383 H N 1.755 120.843 119.070 0.031 0.000 2.977 383 H HA 0.333 4.889 4.556 -0.001 0.000 0.350 383 H C -0.204 175.202 175.328 0.130 0.000 1.238 383 H CA -0.893 55.152 56.048 -0.005 0.000 1.124 383 H CB 1.619 31.321 29.762 -0.100 0.000 1.866 383 H HN 0.321 nan 8.280 nan 0.000 0.550 384 I N 1.381 122.039 120.570 0.147 0.000 2.416 384 I HA 0.042 4.211 4.170 -0.001 0.000 0.288 384 I C 0.385 176.474 176.117 -0.048 0.000 1.051 384 I CA 0.108 61.438 61.300 0.050 0.000 1.375 384 I CB 0.374 38.344 38.000 -0.049 0.000 1.407 384 I HN 0.138 nan 8.210 nan 0.000 0.516 385 c N 6.898 125.415 118.600 -0.138 0.000 2.411 385 c HA 0.388 4.957 4.570 -0.001 0.000 0.330 385 c C -0.346 173.635 174.090 -0.181 0.000 1.224 385 c CA -0.583 55.453 56.329 -0.487 0.000 1.770 385 c CB 0.940 42.956 42.510 -0.824 0.000 2.297 385 c HN 0.714 nan 8.230 nan 0.000 0.507 386 Y N 4.380 124.360 120.300 -0.534 0.000 2.342 386 Y HA 0.612 5.161 4.550 -0.001 0.000 0.338 386 Y C -0.948 174.531 175.900 -0.702 0.000 0.965 386 Y CA -0.619 57.120 58.100 -0.601 0.000 1.159 386 Y CB 0.396 38.573 38.460 -0.471 0.000 1.157 386 Y HN 0.670 nan 8.280 nan 0.000 0.486 387 F N 4.043 123.265 119.950 -1.213 0.000 2.480 387 F HA 0.389 4.915 4.527 -0.001 0.000 0.329 387 F C -0.091 174.999 175.800 -1.184 0.000 1.091 387 F CA -0.978 56.295 58.000 -1.212 0.000 0.972 387 F CB 1.744 39.703 39.000 -1.735 0.000 1.150 387 F HN 0.426 nan 8.300 nan 0.000 0.467 388 Q N 1.475 120.933 119.800 -0.570 0.000 2.230 388 Q HA 0.325 4.664 4.340 -0.001 0.000 0.253 388 Q C 0.783 176.743 176.000 -0.066 0.000 0.919 388 Q CA -0.283 55.316 55.803 -0.340 0.000 0.908 388 Q CB 1.687 30.282 28.738 -0.237 0.000 1.245 388 Q HN 0.678 nan 8.270 nan 0.000 0.437 389 I N 1.779 122.384 120.570 0.059 0.000 2.264 389 I HA -0.264 3.905 4.170 -0.001 0.000 0.248 389 I C 0.637 176.925 176.117 0.285 0.000 1.111 389 I CA 1.703 63.160 61.300 0.262 0.000 1.382 389 I CB 0.079 38.242 38.000 0.271 0.000 1.060 389 I HN 0.757 nan 8.210 nan 0.000 0.418 390 D N -0.020 120.459 120.400 0.132 0.000 2.355 390 D HA 0.012 4.652 4.640 -0.001 0.000 0.218 390 D C 0.300 176.611 176.300 0.018 0.000 1.004 390 D CA 0.648 54.688 54.000 0.066 0.000 0.880 390 D CB 0.126 40.945 40.800 0.032 0.000 0.911 390 D HN 0.255 nan 8.370 nan 0.000 0.528 391 K N 0.458 120.883 120.400 0.041 0.000 2.259 391 K HA 0.226 4.545 4.320 -0.001 0.000 0.252 391 K C 0.849 177.441 176.600 -0.013 0.000 0.936 391 K CA -0.722 55.553 56.287 -0.020 0.000 0.810 391 K CB 2.592 35.053 32.500 -0.065 0.000 1.143 391 K HN -0.237 nan 8.250 nan 0.000 0.427 392 K N 1.374 121.729 120.400 -0.074 0.000 2.076 392 K HA -0.049 4.270 4.320 -0.001 0.000 0.204 392 K C -0.367 176.200 176.600 -0.055 0.000 1.051 392 K CA 1.320 57.568 56.287 -0.064 0.000 0.949 392 K CB 0.152 32.608 32.500 -0.073 0.000 0.726 392 K HN 0.574 nan 8.250 nan 0.000 0.443 393 D N 2.135 122.467 120.400 -0.113 0.000 2.339 393 D HA 0.028 4.668 4.640 -0.001 0.000 0.256 393 D C 0.117 176.208 176.300 -0.348 0.000 1.214 393 D CA -0.027 53.863 54.000 -0.183 0.000 0.877 393 D CB 0.657 41.376 40.800 -0.135 0.000 1.111 393 D HN 0.301 nan 8.370 nan 0.000 0.478 394 c N 1.435 119.682 118.600 -0.588 0.000 2.335 394 c HA 0.862 5.432 4.570 -0.001 0.000 0.363 394 c C 0.510 174.229 174.090 -0.619 0.000 1.198 394 c CA -0.751 55.005 56.329 -0.956 0.000 2.279 394 c CB 1.249 42.500 42.510 -2.098 0.000 2.334 394 c HN 0.592 nan 8.230 nan 0.000 0.559 395 T N -0.091 114.148 114.554 -0.525 0.000 2.863 395 T HA 0.629 4.979 4.350 -0.001 0.000 0.285 395 T C -1.079 173.421 174.700 -0.334 0.000 1.009 395 T CA -0.343 61.593 62.100 -0.273 0.000 0.989 395 T CB 0.710 69.547 68.868 -0.052 0.000 1.004 395 T HN 0.555 nan 8.240 nan 0.000 0.455 396 F N 4.218 124.059 119.950 -0.183 0.000 2.420 396 F HA 0.361 4.888 4.527 -0.001 0.000 0.352 396 F C 1.546 177.144 175.800 -0.337 0.000 1.108 396 F CA -0.931 56.934 58.000 -0.224 0.000 1.162 396 F CB 0.958 39.828 39.000 -0.217 0.000 1.118 396 F HN 0.651 nan 8.300 nan 0.000 0.510 397 I N -0.261 120.121 120.570 -0.313 0.000 3.783 397 I HA 0.197 4.367 4.170 -0.001 0.000 0.310 397 I C 0.273 176.191 176.117 -0.333 0.000 1.274 397 I CA 0.211 61.059 61.300 -0.753 0.000 1.294 397 I CB -0.029 37.328 38.000 -1.072 0.000 1.051 397 I HN 0.497 nan 8.210 nan 0.000 0.435 398 T N 0.068 114.522 114.554 -0.168 0.000 2.906 398 T HA 0.684 5.033 4.350 -0.001 0.000 0.295 398 T C -0.672 173.691 174.700 -0.562 0.000 1.075 398 T CA -0.694 61.309 62.100 -0.162 0.000 1.005 398 T CB 2.684 71.541 68.868 -0.019 0.000 1.136 398 T HN 0.503 nan 8.240 nan 0.000 0.498 399 K N -0.203 119.657 120.400 -0.899 0.000 2.615 399 K HA 0.733 5.052 4.320 -0.001 0.000 0.291 399 K C -0.508 175.447 176.600 -1.075 0.000 1.017 399 K CA -0.646 54.777 56.287 -1.440 0.000 0.882 399 K CB 1.284 33.369 32.500 -0.691 0.000 1.522 399 K HN 1.735 nan 8.250 nan 0.000 0.412 400 G N -0.052 108.201 108.800 -0.911 0.000 2.357 400 G HA2 0.054 4.013 3.960 -0.001 0.000 0.643 400 G HA3 0.054 4.013 3.960 -0.001 0.000 0.643 400 G C -0.606 173.818 174.900 -0.792 0.000 1.358 400 G CA -0.341 44.415 45.100 -0.574 0.000 0.986 400 G HN 1.109 nan 8.290 nan 0.000 0.620 401 T N -0.357 113.829 114.554 -0.614 0.000 4.058 401 T HA 0.557 4.907 4.350 -0.001 0.000 0.252 401 T C 0.292 174.764 174.700 -0.380 0.000 1.264 401 T CA 0.668 62.158 62.100 -1.018 0.000 1.094 401 T CB -0.928 67.591 68.868 -0.581 0.000 1.316 401 T HN 1.539 nan 8.240 nan 0.000 0.872 402 W N -0.244 120.870 121.300 -0.311 0.000 2.923 402 W HA 0.676 5.335 4.660 -0.001 0.000 0.373 402 W C -1.344 175.139 176.519 -0.060 0.000 1.205 402 W CA -1.007 56.297 57.345 -0.069 0.000 1.180 402 W CB 0.632 30.055 29.460 -0.062 0.000 1.477 402 W HN 0.195 nan 8.180 nan 0.000 0.581 403 E N 0.572 120.926 120.200 0.257 0.000 2.367 403 E HA 0.449 4.799 4.350 -0.001 0.000 0.273 403 E C -1.323 175.368 176.600 0.153 0.000 0.903 403 E CA -1.146 55.212 56.400 -0.070 0.000 0.764 403 E CB 3.381 33.111 29.700 0.048 0.000 1.252 403 E HN 0.151 nan 8.360 nan 0.000 0.446 404 V N 3.788 123.655 119.914 -0.078 0.000 2.432 404 V HA 0.035 4.154 4.120 -0.001 0.000 0.271 404 V C 1.292 177.477 176.094 0.150 0.000 1.046 404 V CA -0.123 62.238 62.300 0.101 0.000 0.945 404 V CB 0.509 32.292 31.823 -0.065 0.000 0.992 404 V HN 0.668 nan 8.190 nan 0.000 0.471 405 I N 3.378 124.073 120.570 0.208 0.000 2.193 405 I HA 0.182 4.352 4.170 -0.001 0.000 0.240 405 I C 1.159 177.400 176.117 0.207 0.000 1.084 405 I CA 1.328 62.751 61.300 0.204 0.000 1.365 405 I CB -0.868 37.199 38.000 0.111 0.000 1.064 405 I HN 0.723 nan 8.210 nan 0.000 0.410 406 G N 0.563 109.485 108.800 0.203 0.000 2.720 406 G HA2 0.582 4.542 3.960 -0.001 0.000 0.295 406 G HA3 0.582 4.542 3.960 -0.001 0.000 0.295 406 G C -1.221 173.787 174.900 0.180 0.000 1.437 406 G CA -0.548 44.669 45.100 0.194 0.000 0.886 406 G HN -0.002 nan 8.290 nan 0.000 0.509 407 I N 1.779 122.409 120.570 0.100 0.000 2.337 407 I HA 0.216 4.386 4.170 -0.001 0.000 0.291 407 I C 0.742 176.794 176.117 -0.108 0.000 1.046 407 I CA -0.552 60.709 61.300 -0.065 0.000 1.324 407 I CB 1.662 39.438 38.000 -0.374 0.000 1.409 407 I HN 0.479 nan 8.210 nan 0.000 0.494 408 E N 4.983 125.192 120.200 0.015 0.000 2.166 408 E HA 0.279 4.629 4.350 -0.001 0.000 0.192 408 E C 0.295 176.853 176.600 -0.070 0.000 0.967 408 E CA 0.316 56.769 56.400 0.089 0.000 0.840 408 E CB 0.500 30.368 29.700 0.280 0.000 0.795 408 E HN 0.690 nan 8.360 nan 0.000 0.470 409 A N 0.367 123.039 122.820 -0.246 0.000 2.605 409 A HA 0.597 4.917 4.320 -0.001 0.000 0.294 409 A C -1.958 175.519 177.584 -0.177 0.000 1.062 409 A CA -0.653 51.147 52.037 -0.395 0.000 0.682 409 A CB 1.223 19.492 19.000 -1.219 0.000 1.278 409 A HN 0.045 nan 8.150 nan 0.000 0.410 410 L N 1.487 122.650 121.223 -0.100 0.000 2.439 410 L HA 0.783 5.122 4.340 -0.001 0.000 0.270 410 L C 0.291 177.174 176.870 0.021 0.000 0.972 410 L CA 0.439 55.266 54.840 -0.022 0.000 0.836 410 L CB 1.988 44.071 42.059 0.040 0.000 1.255 410 L HN 1.156 nan 8.230 nan 0.000 0.404 411 T N -0.248 114.338 114.554 0.055 0.000 2.844 411 T HA 0.416 4.766 4.350 -0.001 0.000 0.274 411 T C 1.082 175.811 174.700 0.048 0.000 0.991 411 T CA 0.080 62.222 62.100 0.069 0.000 0.983 411 T CB 0.980 69.924 68.868 0.126 0.000 1.310 411 T HN 0.583 nan 8.240 nan 0.000 0.596 412 S N -0.479 115.246 115.700 0.043 0.000 2.447 412 S HA -0.035 4.435 4.470 -0.001 0.000 0.233 412 S C 0.660 175.229 174.600 -0.051 0.000 1.006 412 S CA 1.141 59.354 58.200 0.021 0.000 0.957 412 S CB -0.570 62.645 63.200 0.026 0.000 0.773 412 S HN 0.778 nan 8.310 nan 0.000 0.507 413 D N -1.171 119.164 120.400 -0.108 0.000 2.473 413 D HA 0.290 4.930 4.640 -0.001 0.000 0.230 413 D C -0.562 175.391 176.300 -0.580 0.000 1.097 413 D CA 0.189 53.981 54.000 -0.346 0.000 0.861 413 D CB 0.387 40.927 40.800 -0.433 0.000 1.114 413 D HN 0.414 nan 8.370 nan 0.000 0.500 414 Y N 0.231 120.464 120.300 -0.112 0.000 2.524 414 Y HA 0.495 5.045 4.550 -0.001 0.000 0.347 414 Y C -0.971 174.761 175.900 -0.281 0.000 1.005 414 Y CA -1.256 56.696 58.100 -0.246 0.000 1.025 414 Y CB 2.318 40.539 38.460 -0.397 0.000 1.275 414 Y HN -0.228 nan 8.280 nan 0.000 0.460 415 L N 3.307 124.424 121.223 -0.176 0.000 2.341 415 L HA 0.612 4.951 4.340 -0.001 0.000 0.278 415 L C -1.810 174.948 176.870 -0.186 0.000 1.005 415 L CA -0.564 54.158 54.840 -0.195 0.000 0.818 415 L CB 0.977 42.827 42.059 -0.349 0.000 1.259 415 L HN 0.634 nan 8.230 nan 0.000 0.418 416 Y N 4.608 124.838 120.300 -0.116 0.000 2.360 416 Y HA 0.559 5.109 4.550 -0.001 0.000 0.337 416 Y C -0.534 175.386 175.900 0.033 0.000 1.039 416 Y CA -0.399 57.640 58.100 -0.103 0.000 1.109 416 Y CB 1.492 39.824 38.460 -0.213 0.000 1.201 416 Y HN 0.561 nan 8.280 nan 0.000 0.458 417 Y N 0.511 120.885 120.300 0.123 0.000 2.625 417 Y HA 0.751 5.301 4.550 -0.001 0.000 0.338 417 Y C -1.837 174.155 175.900 0.153 0.000 1.123 417 Y CA -1.827 56.335 58.100 0.104 0.000 1.046 417 Y CB 1.055 39.556 38.460 0.069 0.000 1.299 417 Y HN 0.277 nan 8.280 nan 0.000 0.464 418 I N 3.118 123.870 120.570 0.304 0.000 2.412 418 I HA 0.599 4.768 4.170 -0.001 0.000 0.296 418 I C -0.049 176.271 176.117 0.338 0.000 0.987 418 I CA -0.303 61.125 61.300 0.213 0.000 1.180 418 I CB 1.499 39.567 38.000 0.114 0.000 1.340 418 I HN 0.891 nan 8.210 nan 0.000 0.455 419 S N 3.926 119.798 115.700 0.286 0.000 2.651 419 S HA 0.472 4.942 4.470 -0.001 0.000 0.279 419 S C -0.326 174.345 174.600 0.119 0.000 1.148 419 S CA -0.784 57.567 58.200 0.253 0.000 0.837 419 S CB 2.006 65.352 63.200 0.243 0.000 1.138 419 S HN 0.601 nan 8.310 nan 0.000 0.478 420 N N -0.332 118.439 118.700 0.118 0.000 2.380 420 N HA 0.138 4.877 4.740 -0.001 0.000 0.255 420 N C 0.506 176.002 175.510 -0.024 0.000 1.158 420 N CA -0.279 52.792 53.050 0.035 0.000 0.878 420 N CB 0.271 38.766 38.487 0.013 0.000 1.138 420 N HN 0.839 nan 8.380 nan 0.000 0.509 421 E N 0.095 120.122 120.200 -0.289 0.000 2.106 421 E HA -0.175 4.175 4.350 -0.001 0.000 0.192 421 E C -0.350 176.094 176.600 -0.261 0.000 0.984 421 E CA 0.090 56.068 56.400 -0.704 0.000 0.806 421 E CB -0.121 28.473 29.700 -1.844 0.000 0.750 421 E HN 0.503 nan 8.360 nan 0.000 0.458 422 Y N 1.990 122.195 120.300 -0.158 0.000 2.865 422 Y HA -0.185 4.364 4.550 -0.001 0.000 0.338 422 Y C 0.249 176.112 175.900 -0.062 0.000 1.269 422 Y CA 0.933 58.993 58.100 -0.066 0.000 1.585 422 Y CB 0.161 38.612 38.460 -0.016 0.000 1.224 422 Y HN 0.090 nan 8.280 nan 0.000 0.554 423 K N 3.485 123.575 120.400 -0.517 0.000 3.048 423 K HA -0.260 4.060 4.320 -0.001 0.000 0.274 423 K C 0.802 177.317 176.600 -0.141 0.000 1.098 423 K CA 0.721 56.774 56.287 -0.391 0.000 0.807 423 K CB -1.866 30.355 32.500 -0.467 0.000 1.217 423 K HN 1.213 nan 8.250 nan 0.000 0.477 424 G N 0.599 109.335 108.800 -0.106 0.000 2.296 424 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.282 424 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.282 424 G C 0.019 174.896 174.900 -0.038 0.000 1.014 424 G CA 0.930 46.016 45.100 -0.023 0.000 0.812 424 G HN 0.357 nan 8.290 nan 0.000 0.508 425 M N -0.025 119.486 119.600 -0.149 0.000 2.069 425 M HA 0.266 4.745 4.480 -0.001 0.000 0.349 425 M C -1.210 174.833 176.300 -0.428 0.000 1.194 425 M CA -2.057 52.986 55.300 -0.428 0.000 1.081 425 M CB 1.697 34.120 32.600 -0.294 0.000 1.500 425 M HN -0.153 nan 8.290 nan 0.000 0.438 426 P HA -0.105 nan 4.420 nan 0.000 0.219 426 P C 1.132 178.283 177.300 -0.249 0.000 1.146 426 P CA 1.045 63.953 63.100 -0.320 0.000 0.808 426 P CB 0.196 31.677 31.700 -0.365 0.000 0.779 427 G N -1.223 107.367 108.800 -0.349 0.000 3.284 427 G HA2 0.312 4.271 3.960 -0.001 0.000 0.236 427 G HA3 0.312 4.271 3.960 -0.001 0.000 0.236 427 G C 0.572 175.470 174.900 -0.003 0.000 1.158 427 G CA 0.022 45.047 45.100 -0.125 0.000 0.774 427 G HN 0.364 nan 8.290 nan 0.000 0.545 428 G N -0.120 108.630 108.800 -0.084 0.000 2.441 428 G HA2 0.645 4.604 3.960 -0.001 0.000 0.334 428 G HA3 0.645 4.604 3.960 -0.001 0.000 0.334 428 G C -0.842 173.966 174.900 -0.153 0.000 1.161 428 G CA -0.743 44.341 45.100 -0.027 0.000 0.935 428 G HN 0.075 nan 8.290 nan 0.000 0.488 429 R N 0.660 121.038 120.500 -0.204 0.000 2.515 429 R HA 0.347 4.687 4.340 -0.001 0.000 0.291 429 R C -1.285 174.986 176.300 -0.049 0.000 1.046 429 R CA -0.758 55.177 56.100 -0.274 0.000 0.914 429 R CB 1.821 31.664 30.300 -0.761 0.000 1.191 429 R HN 0.700 nan 8.270 nan 0.000 0.435 430 N N 0.645 119.339 118.700 -0.010 0.000 2.357 430 N HA 0.461 5.201 4.740 -0.001 0.000 0.284 430 N C -1.424 173.954 175.510 -0.220 0.000 1.236 430 N CA -0.830 52.121 53.050 -0.164 0.000 0.774 430 N CB 1.957 40.215 38.487 -0.381 0.000 1.534 430 N HN 0.241 nan 8.380 nan 0.000 0.478 431 L N 1.885 122.816 121.223 -0.485 0.000 2.292 431 L HA 0.523 4.862 4.340 -0.001 0.000 0.284 431 L C -1.616 174.864 176.870 -0.650 0.000 1.065 431 L CA -0.071 54.523 54.840 -0.409 0.000 0.806 431 L CB -0.119 41.688 42.059 -0.420 0.000 1.175 431 L HN 0.528 nan 8.230 nan 0.000 0.431 432 Y N 3.501 123.442 120.300 -0.599 0.000 2.602 432 Y HA 0.596 5.145 4.550 -0.001 0.000 0.342 432 Y C -0.442 175.064 175.900 -0.656 0.000 1.029 432 Y CA -0.861 56.820 58.100 -0.699 0.000 1.080 432 Y CB 1.803 39.647 38.460 -1.027 0.000 1.284 432 Y HN 0.539 nan 8.280 nan 0.000 0.485 433 K N 2.790 122.995 120.400 -0.324 0.000 2.541 433 K HA 0.591 4.910 4.320 -0.001 0.000 0.250 433 K C -2.189 174.321 176.600 -0.149 0.000 0.950 433 K CA -0.516 55.514 56.287 -0.428 0.000 0.805 433 K CB 1.806 33.882 32.500 -0.707 0.000 1.166 433 K HN 0.813 nan 8.250 nan 0.000 0.430 434 I N 3.510 124.078 120.570 -0.004 0.000 2.433 434 I HA 0.197 4.367 4.170 -0.001 0.000 0.292 434 I C -0.623 175.605 176.117 0.184 0.000 1.001 434 I CA -0.783 60.609 61.300 0.154 0.000 1.119 434 I CB 1.870 40.013 38.000 0.238 0.000 1.289 434 I HN 0.862 nan 8.210 nan 0.000 0.438 435 Q N 5.622 125.534 119.800 0.187 0.000 2.271 435 Q HA 0.055 4.394 4.340 -0.001 0.000 0.273 435 Q C 0.165 176.123 176.000 -0.070 0.000 1.051 435 Q CA -0.474 55.304 55.803 -0.043 0.000 0.901 435 Q CB 1.094 29.805 28.738 -0.044 0.000 1.174 435 Q HN 0.734 nan 8.270 nan 0.000 0.385 436 L N 3.372 124.488 121.223 -0.178 0.000 2.265 436 L HA -0.168 4.171 4.340 -0.001 0.000 0.215 436 L C 2.228 178.984 176.870 -0.191 0.000 1.117 436 L CA 1.915 56.696 54.840 -0.098 0.000 0.782 436 L CB -0.972 41.008 42.059 -0.132 0.000 0.914 436 L HN 0.780 nan 8.230 nan 0.000 0.441 437 S N -2.743 112.816 115.700 -0.235 0.000 2.528 437 S HA 0.031 4.500 4.470 -0.001 0.000 0.219 437 S C 0.578 174.996 174.600 -0.303 0.000 0.985 437 S CA 0.051 58.101 58.200 -0.250 0.000 0.914 437 S CB 0.147 63.236 63.200 -0.186 0.000 0.776 437 S HN 0.377 nan 8.310 nan 0.000 0.526 438 D N -0.171 120.061 120.400 -0.279 0.000 2.365 438 D HA 0.229 4.869 4.640 -0.001 0.000 0.235 438 D C -0.465 175.787 176.300 -0.080 0.000 1.368 438 D CA -0.577 53.284 54.000 -0.232 0.000 1.001 438 D CB 0.301 41.032 40.800 -0.115 0.000 1.364 438 D HN -0.025 nan 8.370 nan 0.000 0.577 439 Y N 1.055 121.347 120.300 -0.013 0.000 2.483 439 Y HA -0.104 4.445 4.550 -0.001 0.000 0.291 439 Y C 2.554 178.471 175.900 0.029 0.000 1.143 439 Y CA 1.486 59.592 58.100 0.009 0.000 1.289 439 Y CB -0.869 37.596 38.460 0.009 0.000 0.983 439 Y HN 0.446 nan 8.280 nan 0.000 0.556 440 T N -2.662 111.976 114.554 0.141 0.000 3.113 440 T HA 0.005 4.354 4.350 -0.001 0.000 0.256 440 T C 0.638 175.391 174.700 0.088 0.000 1.131 440 T CA 0.100 62.260 62.100 0.100 0.000 1.074 440 T CB -0.158 68.743 68.868 0.056 0.000 0.944 440 T HN 0.076 nan 8.240 nan 0.000 0.516 441 K N 2.216 122.670 120.400 0.091 0.000 2.244 441 K HA 0.500 4.819 4.320 -0.001 0.000 0.263 441 K C -1.295 175.374 176.600 0.115 0.000 1.103 441 K CA -0.365 55.973 56.287 0.085 0.000 0.966 441 K CB 1.487 34.028 32.500 0.069 0.000 1.429 441 K HN 0.142 nan 8.250 nan 0.000 0.434 442 V N 2.234 122.213 119.914 0.108 0.000 2.487 442 V HA 0.282 4.401 4.120 -0.001 0.000 0.298 442 V C -0.058 176.082 176.094 0.076 0.000 1.028 442 V CA -0.772 61.601 62.300 0.121 0.000 0.860 442 V CB 1.874 33.800 31.823 0.172 0.000 0.991 442 V HN 0.564 nan 8.190 nan 0.000 0.427 443 T N 3.299 117.861 114.554 0.012 0.000 2.823 443 T HA 0.292 4.641 4.350 -0.001 0.000 0.279 443 T C -0.420 174.192 174.700 -0.147 0.000 0.998 443 T CA -0.265 61.797 62.100 -0.064 0.000 0.994 443 T CB 1.396 70.189 68.868 -0.124 0.000 0.960 443 T HN 0.804 nan 8.240 nan 0.000 0.448 444 C N 5.352 124.509 119.300 -0.240 0.000 2.325 444 C HA 0.456 4.915 4.460 -0.001 0.000 0.347 444 C C 1.701 176.375 174.990 -0.527 0.000 1.263 444 C CA -0.624 58.015 59.018 -0.632 0.000 1.806 444 C CB -1.851 25.433 27.740 -0.761 0.000 2.405 444 C HN 0.996 nan 8.230 nan 0.000 0.537 445 L N 4.467 125.347 121.223 -0.570 0.000 2.270 445 L HA 0.044 4.383 4.340 -0.001 0.000 0.210 445 L C 2.333 178.896 176.870 -0.511 0.000 1.104 445 L CA 1.235 55.815 54.840 -0.433 0.000 0.804 445 L CB -0.285 41.554 42.059 -0.367 0.000 0.937 445 L HN 0.874 nan 8.230 nan 0.000 0.450 446 S N -2.701 112.563 115.700 -0.728 0.000 2.506 446 S HA -0.031 4.438 4.470 -0.001 0.000 0.219 446 S C 1.961 176.147 174.600 -0.690 0.000 1.031 446 S CA -0.015 57.640 58.200 -0.908 0.000 0.911 446 S CB -0.457 61.687 63.200 -1.760 0.000 0.812 446 S HN 0.317 nan 8.310 nan 0.000 0.497 447 C N 1.995 120.866 119.300 -0.716 0.000 2.385 447 C HA -0.077 4.382 4.460 -0.001 0.000 0.275 447 C C 2.413 177.102 174.990 -0.502 0.000 1.199 447 C CA 1.606 60.140 59.018 -0.807 0.000 1.782 447 C CB -1.131 25.927 27.740 -1.136 0.000 2.068 447 C HN 0.644 nan 8.230 nan 0.000 0.471 448 E N -0.492 119.507 120.200 -0.335 0.000 2.501 448 E HA 0.227 4.576 4.350 -0.001 0.000 0.201 448 E C 1.754 178.296 176.600 -0.095 0.000 1.016 448 E CA -0.158 56.144 56.400 -0.164 0.000 0.920 448 E CB -0.068 29.559 29.700 -0.122 0.000 1.023 448 E HN 0.534 nan 8.360 nan 0.000 0.474 449 L N 0.338 121.500 121.223 -0.102 0.000 2.012 449 L HA -0.091 4.248 4.340 -0.001 0.000 0.210 449 L C 0.449 177.325 176.870 0.011 0.000 1.073 449 L CA 1.036 55.860 54.840 -0.028 0.000 0.748 449 L CB -0.031 42.032 42.059 0.006 0.000 0.891 449 L HN 0.126 nan 8.230 nan 0.000 0.431 450 N N -1.350 117.370 118.700 0.034 0.000 2.785 450 N HA 0.119 4.858 4.740 -0.001 0.000 0.224 450 N C -2.137 173.393 175.510 0.033 0.000 1.448 450 N CA -0.559 52.508 53.050 0.028 0.000 0.748 450 N CB 1.367 39.868 38.487 0.024 0.000 1.385 450 N HN -0.079 nan 8.380 nan 0.000 0.538 451 P HA -0.158 nan 4.420 nan 0.000 0.216 451 P C 0.944 178.283 177.300 0.064 0.000 1.153 451 P CA 1.426 64.563 63.100 0.062 0.000 0.858 451 P CB 0.673 32.420 31.700 0.078 0.000 0.789 452 E N -0.539 119.685 120.200 0.041 0.000 2.107 452 E HA -0.150 4.199 4.350 -0.001 0.000 0.191 452 E C 2.302 178.910 176.600 0.012 0.000 0.982 452 E CA 0.745 57.164 56.400 0.032 0.000 0.809 452 E CB -0.184 29.529 29.700 0.022 0.000 0.756 452 E HN 0.182 nan 8.360 nan 0.000 0.459 453 R N -0.013 120.483 120.500 -0.007 0.000 2.140 453 R HA 0.062 4.401 4.340 -0.001 0.000 0.213 453 R C 0.011 176.273 176.300 -0.062 0.000 1.059 453 R CA 0.689 56.764 56.100 -0.042 0.000 1.000 453 R CB 0.290 30.556 30.300 -0.057 0.000 0.910 453 R HN -0.023 nan 8.270 nan 0.000 0.455 454 c N 1.033 119.606 118.600 -0.045 0.000 2.346 454 c HA 0.457 5.026 4.570 -0.001 0.000 0.326 454 c C -0.305 173.764 174.090 -0.034 0.000 1.224 454 c CA -0.617 55.639 56.329 -0.121 0.000 1.408 454 c CB 1.459 43.861 42.510 -0.179 0.000 2.089 454 c HN 0.615 nan 8.230 nan 0.000 0.456 455 Q N 0.415 120.181 119.800 -0.057 0.000 2.040 455 Q HA 0.181 4.520 4.340 -0.001 0.000 0.212 455 Q C -0.953 175.089 176.000 0.070 0.000 0.766 455 Q CA 0.054 55.896 55.803 0.066 0.000 0.967 455 Q CB 1.236 30.041 28.738 0.113 0.000 1.202 455 Q HN 0.795 nan 8.270 nan 0.000 0.446 456 Y N 0.584 120.755 120.300 -0.215 0.000 2.488 456 Y HA 0.389 4.939 4.550 -0.001 0.000 0.330 456 Y C -1.554 174.178 175.900 -0.279 0.000 1.013 456 Y CA -1.016 56.989 58.100 -0.159 0.000 1.304 456 Y CB 0.639 39.026 38.460 -0.122 0.000 1.098 456 Y HN -0.066 nan 8.280 nan 0.000 0.498 457 Y N 2.374 122.580 120.300 -0.157 0.000 2.420 457 Y HA 0.624 5.174 4.550 -0.001 0.000 0.334 457 Y C 0.345 176.172 175.900 -0.121 0.000 1.094 457 Y CA -0.419 57.608 58.100 -0.123 0.000 1.126 457 Y CB 2.061 40.419 38.460 -0.170 0.000 1.217 457 Y HN 0.525 nan 8.280 nan 0.000 0.462 458 S N 1.084 116.854 115.700 0.116 0.000 2.667 458 S HA 0.874 5.343 4.470 -0.001 0.000 0.292 458 S C -1.535 173.112 174.600 0.078 0.000 1.126 458 S CA -0.806 57.446 58.200 0.087 0.000 0.881 458 S CB 1.878 65.141 63.200 0.105 0.000 1.132 458 S HN 0.604 nan 8.310 nan 0.000 0.492 459 V N 0.240 120.190 119.914 0.060 0.000 3.049 459 V HA 0.845 4.964 4.120 -0.001 0.000 0.309 459 V C -1.262 174.857 176.094 0.043 0.000 1.148 459 V CA -0.273 62.019 62.300 -0.013 0.000 0.990 459 V CB 2.298 33.999 31.823 -0.203 0.000 1.039 459 V HN 1.178 nan 8.190 nan 0.000 0.430 460 S N 5.016 120.739 115.700 0.039 0.000 2.774 460 S HA 0.665 5.135 4.470 -0.001 0.000 0.297 460 S C -1.113 173.586 174.600 0.165 0.000 1.143 460 S CA -0.383 57.941 58.200 0.206 0.000 1.090 460 S CB 0.373 63.763 63.200 0.317 0.000 1.019 460 S HN 0.508 nan 8.310 nan 0.000 0.482 461 F N 3.201 123.205 119.950 0.091 0.000 2.375 461 F HA 0.403 4.929 4.527 -0.001 0.000 0.333 461 F C 1.440 176.867 175.800 -0.622 0.000 1.104 461 F CA -0.157 57.743 58.000 -0.166 0.000 1.149 461 F CB 1.306 40.188 39.000 -0.198 0.000 1.190 461 F HN 0.647 nan 8.300 nan 0.000 0.533 462 S N 1.933 117.107 115.700 -0.877 0.000 2.596 462 S HA 0.068 4.538 4.470 -0.001 0.000 0.260 462 S C 1.292 175.637 174.600 -0.426 0.000 1.336 462 S CA -0.577 56.823 58.200 -1.333 0.000 0.993 462 S CB 0.720 63.285 63.200 -1.058 0.000 0.923 462 S HN 0.805 nan 8.310 nan 0.000 0.567 463 K N 0.140 120.398 120.400 -0.236 0.000 2.218 463 K HA -0.131 4.189 4.320 -0.001 0.000 0.205 463 K C 1.212 177.776 176.600 -0.060 0.000 1.046 463 K CA 1.913 58.161 56.287 -0.065 0.000 0.933 463 K CB -0.106 32.383 32.500 -0.018 0.000 0.728 463 K HN 0.800 nan 8.250 nan 0.000 0.454 464 E N -1.863 118.281 120.200 -0.093 0.000 2.968 464 E HA 0.221 4.570 4.350 -0.001 0.000 0.202 464 E C -0.760 175.790 176.600 -0.084 0.000 0.979 464 E CA 0.371 56.736 56.400 -0.059 0.000 1.192 464 E CB 0.904 30.590 29.700 -0.024 0.000 1.059 464 E HN 0.344 nan 8.360 nan 0.000 0.470 465 A N 0.958 123.711 122.820 -0.113 0.000 2.847 465 A HA -0.323 3.996 4.320 -0.001 0.000 0.263 465 A C 1.369 178.921 177.584 -0.054 0.000 1.391 465 A CA 1.631 53.620 52.037 -0.080 0.000 0.866 465 A CB -1.921 16.889 19.000 -0.318 0.000 1.057 465 A HN 0.374 nan 8.150 nan 0.000 0.673 466 K N -1.721 118.596 120.400 -0.138 0.000 2.148 466 K HA 0.027 4.347 4.320 -0.001 0.000 0.204 466 K C 0.291 176.571 176.600 -0.533 0.000 1.050 466 K CA 1.677 57.778 56.287 -0.311 0.000 0.942 466 K CB -0.068 32.230 32.500 -0.336 0.000 0.724 466 K HN 0.706 nan 8.250 nan 0.000 0.446 467 Y N -1.342 118.895 120.300 -0.104 0.000 2.634 467 Y HA 0.358 4.908 4.550 -0.001 0.000 0.340 467 Y C -0.949 174.889 175.900 -0.104 0.000 1.058 467 Y CA -1.372 56.664 58.100 -0.106 0.000 1.081 467 Y CB 1.640 40.039 38.460 -0.102 0.000 1.295 467 Y HN -0.029 nan 8.280 nan 0.000 0.487 468 Y N -1.263 119.042 120.300 0.008 0.000 2.552 468 Y HA 0.486 5.035 4.550 -0.001 0.000 0.337 468 Y C -1.377 174.549 175.900 0.043 0.000 1.094 468 Y CA -1.463 56.490 58.100 -0.244 0.000 1.028 468 Y CB 1.437 39.281 38.460 -1.026 0.000 1.321 468 Y HN 0.602 nan 8.280 nan 0.000 0.456 469 Q N 3.732 123.652 119.800 0.201 0.000 2.271 469 Q HA 0.580 4.919 4.340 -0.001 0.000 0.258 469 Q C -1.773 174.305 176.000 0.129 0.000 0.936 469 Q CA -0.726 55.162 55.803 0.142 0.000 0.909 469 Q CB 1.370 30.169 28.738 0.102 0.000 1.253 469 Q HN 0.958 nan 8.270 nan 0.000 0.440 470 L N 3.903 125.215 121.223 0.148 0.000 2.309 470 L HA 0.553 4.893 4.340 -0.001 0.000 0.282 470 L C -0.010 176.900 176.870 0.067 0.000 1.036 470 L CA -0.616 54.301 54.840 0.129 0.000 0.806 470 L CB 1.509 43.640 42.059 0.121 0.000 1.220 470 L HN 0.535 nan 8.230 nan 0.000 0.429 471 R N 3.312 123.809 120.500 -0.005 0.000 2.388 471 R HA 0.358 4.698 4.340 -0.001 0.000 0.314 471 R C -1.150 174.956 176.300 -0.323 0.000 0.959 471 R CA -0.448 55.453 56.100 -0.331 0.000 0.851 471 R CB 1.438 31.575 30.300 -0.271 0.000 1.168 471 R HN 0.806 nan 8.270 nan 0.000 0.472 472 c N 3.109 121.407 118.600 -0.503 0.000 2.295 472 c HA 0.511 5.081 4.570 -0.001 0.000 0.331 472 c C 0.834 174.701 174.090 -0.371 0.000 1.280 472 c CA -0.468 55.490 56.329 -0.618 0.000 1.746 472 c CB 1.116 43.071 42.510 -0.924 0.000 2.328 472 c HN 0.832 nan 8.230 nan 0.000 0.521 473 S N 2.904 118.484 115.700 -0.199 0.000 2.577 473 S HA 0.569 5.039 4.470 -0.001 0.000 0.219 473 S C 0.726 175.287 174.600 -0.065 0.000 0.962 473 S CA 0.459 58.594 58.200 -0.107 0.000 0.921 473 S CB -0.089 63.062 63.200 -0.082 0.000 0.789 473 S HN 1.617 nan 8.310 nan 0.000 0.497 474 G N 1.751 110.498 108.800 -0.089 0.000 2.337 474 G HA2 0.229 4.189 3.960 -0.001 0.000 0.298 474 G HA3 0.229 4.189 3.960 -0.001 0.000 0.298 474 G C -3.068 171.813 174.900 -0.031 0.000 1.335 474 G CA -0.695 44.394 45.100 -0.019 0.000 0.875 474 G HN -0.148 nan 8.290 nan 0.000 0.579 475 P HA 0.173 nan 4.420 nan 0.000 0.240 475 P C 1.314 178.655 177.300 0.067 0.000 1.190 475 P CA 1.280 64.420 63.100 0.066 0.000 0.781 475 P CB 0.393 32.129 31.700 0.059 0.000 0.931 476 G N 0.512 109.276 108.800 -0.061 0.000 2.535 476 G HA2 0.357 4.317 3.960 -0.001 0.000 0.282 476 G HA3 0.357 4.317 3.960 -0.001 0.000 0.282 476 G C -0.262 174.387 174.900 -0.418 0.000 1.350 476 G CA -0.726 44.257 45.100 -0.195 0.000 1.039 476 G HN 0.041 nan 8.290 nan 0.000 0.509 477 L N 1.348 122.252 121.223 -0.532 0.000 2.490 477 L HA 0.126 4.465 4.340 -0.001 0.000 0.274 477 L C -1.799 174.903 176.870 -0.280 0.000 1.201 477 L CA -1.214 53.283 54.840 -0.570 0.000 0.869 477 L CB 0.472 42.293 42.059 -0.396 0.000 1.123 477 L HN 0.242 nan 8.230 nan 0.000 0.484 478 P HA -0.031 nan 4.420 nan 0.000 0.264 478 P C -0.850 176.403 177.300 -0.079 0.000 1.173 478 P CA 0.195 63.229 63.100 -0.111 0.000 0.761 478 P CB 0.471 32.203 31.700 0.052 0.000 0.794 479 L N 4.884 125.987 121.223 -0.200 0.000 2.438 479 L HA 0.471 4.810 4.340 -0.001 0.000 0.270 479 L C -1.776 174.967 176.870 -0.212 0.000 0.972 479 L CA -0.593 54.187 54.840 -0.100 0.000 0.831 479 L CB 1.138 43.138 42.059 -0.098 0.000 1.273 479 L HN 0.242 nan 8.230 nan 0.000 0.405 480 Y N 2.877 123.134 120.300 -0.071 0.000 2.335 480 Y HA 0.712 5.261 4.550 -0.001 0.000 0.338 480 Y C 0.429 176.229 175.900 -0.167 0.000 0.977 480 Y CA -0.526 57.514 58.100 -0.099 0.000 1.114 480 Y CB 2.129 40.509 38.460 -0.133 0.000 1.182 480 Y HN 0.669 nan 8.280 nan 0.000 0.463 481 T N 1.479 116.041 114.554 0.013 0.000 2.907 481 T HA 0.658 5.008 4.350 -0.001 0.000 0.292 481 T C -1.149 173.467 174.700 -0.141 0.000 1.043 481 T CA -0.947 61.099 62.100 -0.090 0.000 1.003 481 T CB 1.758 70.641 68.868 0.026 0.000 1.084 481 T HN 0.542 nan 8.240 nan 0.000 0.483 482 L N 1.949 122.953 121.223 -0.365 0.000 2.325 482 L HA 0.593 4.932 4.340 -0.001 0.000 0.278 482 L C -0.570 175.935 176.870 -0.607 0.000 1.023 482 L CA -0.847 53.820 54.840 -0.289 0.000 0.811 482 L CB 1.281 43.220 42.059 -0.201 0.000 1.249 482 L HN 0.822 nan 8.230 nan 0.000 0.431 483 H N 1.172 120.016 119.070 -0.376 0.000 2.930 483 H HA 0.267 4.823 4.556 -0.001 0.000 0.371 483 H C -0.851 174.263 175.328 -0.356 0.000 1.169 483 H CA -0.777 54.958 56.048 -0.523 0.000 1.157 483 H CB 2.281 31.369 29.762 -1.124 0.000 1.789 483 H HN 0.528 nan 8.280 nan 0.000 0.547 484 S N 0.432 116.105 115.700 -0.046 0.000 2.508 484 S HA 0.155 4.624 4.470 -0.001 0.000 0.284 484 S C 1.007 175.605 174.600 -0.004 0.000 1.192 484 S CA -0.419 57.745 58.200 -0.061 0.000 1.070 484 S CB 1.541 64.712 63.200 -0.048 0.000 1.004 484 S HN 0.670 nan 8.310 nan 0.000 0.493 485 S N 2.568 118.297 115.700 0.048 0.000 2.496 485 S HA -0.038 4.431 4.470 -0.001 0.000 0.224 485 S C 1.639 176.293 174.600 0.090 0.000 0.996 485 S CA 0.440 58.770 58.200 0.217 0.000 0.927 485 S CB -0.772 62.572 63.200 0.240 0.000 0.774 485 S HN 0.563 nan 8.310 nan 0.000 0.524 486 V N 2.895 122.812 119.914 0.005 0.000 2.231 486 V HA -0.191 3.928 4.120 -0.001 0.000 0.250 486 V C 1.652 177.758 176.094 0.020 0.000 1.058 486 V CA 1.983 64.290 62.300 0.010 0.000 1.022 486 V CB -0.605 31.205 31.823 -0.021 0.000 0.640 486 V HN 0.626 nan 8.190 nan 0.000 0.445 487 N N -0.852 117.858 118.700 0.016 0.000 2.451 487 N HA 0.082 4.821 4.740 -0.001 0.000 0.271 487 N C -0.545 174.979 175.510 0.023 0.000 1.410 487 N CA 0.059 53.117 53.050 0.013 0.000 0.884 487 N CB 0.449 38.942 38.487 0.010 0.000 1.332 487 N HN 0.430 nan 8.380 nan 0.000 0.498 488 D N 1.585 122.020 120.400 0.059 0.000 2.702 488 D HA -0.200 4.439 4.640 -0.001 0.000 0.233 488 D C 0.153 176.501 176.300 0.080 0.000 1.164 488 D CA 1.204 55.268 54.000 0.106 0.000 0.638 488 D CB -0.680 40.168 40.800 0.081 0.000 1.041 488 D HN 0.614 nan 8.370 nan 0.000 0.422 489 K N -0.683 119.746 120.400 0.048 0.000 2.087 489 K HA 0.585 4.905 4.320 -0.001 0.000 0.255 489 K C 0.682 177.290 176.600 0.014 0.000 0.988 489 K CA -0.739 55.566 56.287 0.030 0.000 0.915 489 K CB 1.225 33.728 32.500 0.005 0.000 1.043 489 K HN -0.046 nan 8.250 nan 0.000 0.457 490 G N 1.439 110.216 108.800 -0.038 0.000 2.370 490 G HA2 0.292 4.252 3.960 -0.001 0.000 0.272 490 G HA3 0.292 4.252 3.960 -0.001 0.000 0.272 490 G C 0.370 175.142 174.900 -0.213 0.000 1.208 490 G CA -0.838 44.112 45.100 -0.250 0.000 0.856 490 G HN 0.616 nan 8.290 nan 0.000 0.500 491 L N 1.394 122.449 121.223 -0.280 0.000 2.145 491 L HA 0.329 4.668 4.340 -0.001 0.000 0.201 491 L C 1.589 178.370 176.870 -0.149 0.000 1.075 491 L CA 0.739 55.488 54.840 -0.151 0.000 0.773 491 L CB -0.173 41.823 42.059 -0.105 0.000 0.936 491 L HN 0.757 nan 8.230 nan 0.000 0.451 492 R N -1.902 118.465 120.500 -0.221 0.000 2.774 492 R HA 0.375 4.715 4.340 -0.001 0.000 0.279 492 R C -1.735 174.437 176.300 -0.214 0.000 1.022 492 R CA -0.881 55.115 56.100 -0.174 0.000 0.855 492 R CB 1.340 31.567 30.300 -0.121 0.000 1.279 492 R HN -0.281 nan 8.270 nan 0.000 0.485 493 V N 3.110 122.926 119.914 -0.162 0.000 2.385 493 V HA 0.175 4.295 4.120 -0.001 0.000 0.269 493 V C 1.375 177.336 176.094 -0.223 0.000 1.043 493 V CA -0.356 61.848 62.300 -0.159 0.000 0.906 493 V CB 0.983 32.749 31.823 -0.095 0.000 0.995 493 V HN 0.635 nan 8.190 nan 0.000 0.467 494 L N 2.779 123.795 121.223 -0.345 0.000 2.084 494 L HA 0.207 4.547 4.340 -0.001 0.000 0.202 494 L C 0.851 177.474 176.870 -0.411 0.000 1.074 494 L CA 0.958 55.396 54.840 -0.670 0.000 0.757 494 L CB 0.170 41.460 42.059 -1.283 0.000 0.918 494 L HN 0.650 nan 8.230 nan 0.000 0.444 495 E N -0.209 119.883 120.200 -0.181 0.000 2.287 495 E HA 0.097 4.447 4.350 -0.001 0.000 0.274 495 E C -1.110 175.539 176.600 0.081 0.000 0.896 495 E CA -0.374 56.025 56.400 -0.002 0.000 0.788 495 E CB 1.177 30.887 29.700 0.016 0.000 1.244 495 E HN 0.176 nan 8.360 nan 0.000 0.408 496 D N 3.243 123.669 120.400 0.044 0.000 2.469 496 D HA 0.104 4.743 4.640 -0.001 0.000 0.215 496 D C -0.350 175.965 176.300 0.025 0.000 1.154 496 D CA -0.263 53.755 54.000 0.030 0.000 0.832 496 D CB -0.078 40.720 40.800 -0.002 0.000 1.008 496 D HN 0.456 nan 8.370 nan 0.000 0.506 497 N N 0.669 119.398 118.700 0.049 0.000 2.721 497 N HA -0.210 4.530 4.740 -0.001 0.000 0.249 497 N C 0.969 176.491 175.510 0.020 0.000 1.072 497 N CA 0.921 53.995 53.050 0.040 0.000 0.710 497 N CB -1.264 37.240 38.487 0.028 0.000 0.993 497 N HN 0.505 nan 8.380 nan 0.000 0.547 498 S N -1.225 114.488 115.700 0.022 0.000 2.402 498 S HA 0.004 4.473 4.470 -0.001 0.000 0.229 498 S C 2.102 176.722 174.600 0.033 0.000 1.021 498 S CA 0.843 59.053 58.200 0.017 0.000 0.974 498 S CB -0.076 63.133 63.200 0.015 0.000 0.800 498 S HN 0.497 nan 8.310 nan 0.000 0.484 499 A N 2.220 125.068 122.820 0.046 0.000 1.883 499 A HA 0.025 4.344 4.320 -0.001 0.000 0.217 499 A C 2.242 179.876 177.584 0.082 0.000 1.186 499 A CA 1.692 53.765 52.037 0.060 0.000 0.624 499 A CB -0.989 18.048 19.000 0.061 0.000 0.822 499 A HN 0.531 nan 8.150 nan 0.000 0.444 500 L N 0.411 121.687 121.223 0.088 0.000 2.046 500 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 500 L C 1.896 178.819 176.870 0.088 0.000 1.077 500 L CA 2.842 57.757 54.840 0.125 0.000 0.747 500 L CB -0.894 41.235 42.059 0.115 0.000 0.896 500 L HN 0.515 nan 8.230 nan 0.000 0.432 501 D N -0.710 119.710 120.400 0.033 0.000 2.123 501 D HA -0.288 4.352 4.640 -0.001 0.000 0.196 501 D C 2.270 178.593 176.300 0.039 0.000 0.992 501 D CA 1.647 55.652 54.000 0.008 0.000 0.833 501 D CB -0.054 40.737 40.800 -0.015 0.000 0.954 501 D HN 0.383 nan 8.370 nan 0.000 0.455 502 K N -0.516 119.916 120.400 0.054 0.000 2.026 502 K HA -0.142 4.177 4.320 -0.001 0.000 0.208 502 K C 2.181 178.839 176.600 0.098 0.000 1.048 502 K CA 1.214 57.540 56.287 0.064 0.000 0.929 502 K CB -0.084 32.451 32.500 0.059 0.000 0.713 502 K HN 0.199 nan 8.250 nan 0.000 0.439 503 M N 0.219 119.904 119.600 0.142 0.000 2.159 503 M HA -0.158 4.321 4.480 -0.001 0.000 0.263 503 M C 1.626 178.059 176.300 0.222 0.000 1.063 503 M CA 0.961 56.399 55.300 0.229 0.000 1.110 503 M CB -0.079 32.737 32.600 0.360 0.000 1.374 503 M HN 0.148 nan 8.290 nan 0.000 0.411 504 L N 0.269 121.565 121.223 0.121 0.000 2.478 504 L HA -0.063 4.277 4.340 -0.001 0.000 0.223 504 L C 2.172 179.065 176.870 0.038 0.000 1.140 504 L CA 1.376 56.227 54.840 0.020 0.000 0.842 504 L CB -0.926 41.118 42.059 -0.025 0.000 0.953 504 L HN 0.344 nan 8.230 nan 0.000 0.452 505 Q N 0.446 120.285 119.800 0.064 0.000 2.112 505 Q HA -0.194 4.146 4.340 -0.001 0.000 0.206 505 Q C 0.688 176.737 176.000 0.082 0.000 0.987 505 Q CA 1.673 57.514 55.803 0.063 0.000 0.858 505 Q CB -0.234 28.542 28.738 0.064 0.000 0.905 505 Q HN 0.623 nan 8.270 nan 0.000 0.420 506 N N -0.778 117.985 118.700 0.104 0.000 2.389 506 N HA 0.119 4.859 4.740 -0.001 0.000 0.260 506 N C -1.045 174.537 175.510 0.120 0.000 1.191 506 N CA -0.092 53.034 53.050 0.126 0.000 0.885 506 N CB 0.568 39.147 38.487 0.153 0.000 1.162 506 N HN -0.141 nan 8.380 nan 0.000 0.512 507 V N 0.805 120.770 119.914 0.084 0.000 2.459 507 V HA 0.267 4.386 4.120 -0.001 0.000 0.295 507 V C 0.155 176.272 176.094 0.039 0.000 1.029 507 V CA -0.784 61.556 62.300 0.066 0.000 0.874 507 V CB 1.780 33.602 31.823 -0.003 0.000 0.985 507 V HN 0.219 nan 8.190 nan 0.000 0.438 508 Q N 4.833 124.663 119.800 0.050 0.000 2.513 508 Q HA 0.279 4.618 4.340 -0.001 0.000 0.227 508 Q C -0.282 175.696 176.000 -0.037 0.000 1.257 508 Q CA -0.050 55.748 55.803 -0.008 0.000 0.915 508 Q CB 0.297 29.039 28.738 0.007 0.000 1.507 508 Q HN 0.544 nan 8.270 nan 0.000 0.543 509 M N 2.751 122.314 119.600 -0.061 0.000 2.291 509 M HA 0.415 4.895 4.480 -0.001 0.000 0.324 509 M C -2.086 174.146 176.300 -0.112 0.000 1.148 509 M CA -2.534 52.717 55.300 -0.082 0.000 1.104 509 M CB -0.057 32.499 32.600 -0.073 0.000 1.483 509 M HN 0.255 nan 8.290 nan 0.000 0.467 510 P HA 0.306 nan 4.420 nan 0.000 0.277 510 P C -0.764 176.452 177.300 -0.140 0.000 1.271 510 P CA -0.491 62.515 63.100 -0.155 0.000 0.795 510 P CB 0.516 32.106 31.700 -0.183 0.000 1.101 511 S N -1.243 114.362 115.700 -0.159 0.000 2.689 511 S HA 0.626 5.096 4.470 -0.001 0.000 0.306 511 S C -0.713 173.794 174.600 -0.155 0.000 1.104 511 S CA -0.782 57.341 58.200 -0.128 0.000 0.973 511 S CB 1.537 64.666 63.200 -0.118 0.000 1.121 511 S HN 0.411 nan 8.310 nan 0.000 0.523 512 K N 0.447 120.781 120.400 -0.110 0.000 2.270 512 K HA 0.440 4.759 4.320 -0.001 0.000 0.255 512 K C -1.312 175.234 176.600 -0.090 0.000 0.936 512 K CA -0.571 55.654 56.287 -0.104 0.000 0.809 512 K CB 1.432 33.893 32.500 -0.065 0.000 1.131 512 K HN 0.731 nan 8.250 nan 0.000 0.427 513 K N 4.921 125.260 120.400 -0.101 0.000 2.244 513 K HA 0.362 4.681 4.320 -0.001 0.000 0.260 513 K C -1.460 175.112 176.600 -0.047 0.000 0.951 513 K CA -0.688 55.555 56.287 -0.073 0.000 0.826 513 K CB 1.055 33.496 32.500 -0.098 0.000 1.108 513 K HN 0.492 nan 8.250 nan 0.000 0.433 514 L N 4.269 125.478 121.223 -0.024 0.000 2.372 514 L HA 0.504 4.843 4.340 -0.001 0.000 0.274 514 L C -1.468 175.416 176.870 0.024 0.000 0.988 514 L CA -0.249 54.603 54.840 0.020 0.000 0.833 514 L CB 1.493 43.626 42.059 0.124 0.000 1.236 514 L HN 0.906 nan 8.230 nan 0.000 0.410 515 D N 2.824 123.081 120.400 -0.238 0.000 2.946 515 D HA 0.520 5.159 4.640 -0.001 0.000 0.337 515 D C -1.537 174.403 176.300 -0.600 0.000 1.332 515 D CA 0.055 53.833 54.000 -0.370 0.000 0.935 515 D CB 1.887 42.447 40.800 -0.399 0.000 1.440 515 D HN 0.234 nan 8.370 nan 0.000 0.540 516 F N -0.259 119.330 119.950 -0.602 0.000 2.643 516 F HA 0.745 5.271 4.527 -0.001 0.000 0.314 516 F C -0.748 175.115 175.800 0.104 0.000 1.096 516 F CA -1.079 56.666 58.000 -0.426 0.000 0.953 516 F CB 0.908 39.197 39.000 -1.184 0.000 1.345 516 F HN 0.308 nan 8.300 nan 0.000 0.468 517 I N -0.174 120.670 120.570 0.457 0.000 2.957 517 I HA 0.727 4.897 4.170 -0.001 0.000 0.310 517 I C -1.411 174.957 176.117 0.418 0.000 1.063 517 I CA -1.300 60.209 61.300 0.349 0.000 1.033 517 I CB 2.472 40.654 38.000 0.302 0.000 1.230 517 I HN 0.651 nan 8.210 nan 0.000 0.447 518 I N 3.855 124.605 120.570 0.298 0.000 2.389 518 I HA 0.430 4.600 4.170 -0.001 0.000 0.288 518 I C -0.863 175.405 176.117 0.250 0.000 0.999 518 I CA -0.424 61.037 61.300 0.268 0.000 1.129 518 I CB 1.738 39.853 38.000 0.192 0.000 1.288 518 I HN 0.353 nan 8.210 nan 0.000 0.444 519 L N 6.629 128.063 121.223 0.352 0.000 2.356 519 L HA 0.474 4.814 4.340 -0.001 0.000 0.277 519 L C -0.167 176.849 176.870 0.244 0.000 0.996 519 L CA -0.848 54.162 54.840 0.282 0.000 0.822 519 L CB 1.465 43.713 42.059 0.316 0.000 1.256 519 L HN 0.589 nan 8.230 nan 0.000 0.413 520 N N 2.488 121.266 118.700 0.130 0.000 2.727 520 N HA -0.230 4.510 4.740 -0.001 0.000 0.249 520 N C 0.092 175.646 175.510 0.073 0.000 1.048 520 N CA 1.361 54.463 53.050 0.087 0.000 0.714 520 N CB -0.936 37.599 38.487 0.079 0.000 0.959 520 N HN 0.861 nan 8.380 nan 0.000 0.544 521 E N -3.930 116.311 120.200 0.067 0.000 3.286 521 E HA -0.229 4.121 4.350 -0.001 0.000 0.292 521 E C -0.699 175.901 176.600 0.000 0.000 0.928 521 E CA 1.450 57.871 56.400 0.035 0.000 0.982 521 E CB -1.458 28.254 29.700 0.020 0.000 1.500 521 E HN 0.498 nan 8.360 nan 0.000 0.441 522 T N 0.426 114.977 114.554 -0.006 0.000 2.841 522 T HA 0.344 4.693 4.350 -0.001 0.000 0.283 522 T C -0.145 174.388 174.700 -0.278 0.000 1.000 522 T CA -0.877 61.112 62.100 -0.186 0.000 0.977 522 T CB 1.652 70.345 68.868 -0.292 0.000 0.979 522 T HN -0.011 nan 8.240 nan 0.000 0.446 523 K N 2.107 122.296 120.400 -0.351 0.000 2.350 523 K HA 0.390 4.709 4.320 -0.001 0.000 0.279 523 K C -1.107 175.200 176.600 -0.487 0.000 1.027 523 K CA 0.044 56.133 56.287 -0.330 0.000 0.969 523 K CB 0.417 32.593 32.500 -0.540 0.000 0.954 523 K HN 0.407 nan 8.250 nan 0.000 0.474 524 F N 2.135 122.153 119.950 0.113 0.000 2.539 524 F HA 0.283 4.809 4.527 -0.001 0.000 0.318 524 F C -0.574 175.317 175.800 0.152 0.000 1.135 524 F CA -0.782 57.296 58.000 0.130 0.000 0.915 524 F CB 0.932 40.033 39.000 0.170 0.000 1.176 524 F HN 0.448 nan 8.300 nan 0.000 0.440 525 W N 3.777 125.219 121.300 0.237 0.000 2.303 525 W HA 0.536 5.195 4.660 -0.001 0.000 0.334 525 W C -0.592 176.102 176.519 0.292 0.000 1.197 525 W CA -0.488 57.004 57.345 0.246 0.000 1.262 525 W CB 0.674 30.215 29.460 0.136 0.000 1.153 525 W HN 0.451 nan 8.180 nan 0.000 0.596 526 Y N -0.594 120.038 120.300 0.553 0.000 2.625 526 Y HA 0.637 5.186 4.550 -0.001 0.000 0.338 526 Y C -1.001 175.133 175.900 0.390 0.000 1.123 526 Y CA -1.911 56.514 58.100 0.542 0.000 1.046 526 Y CB 1.072 40.032 38.460 0.833 0.000 1.299 526 Y HN 0.557 nan 8.280 nan 0.000 0.464 527 Q N 2.013 122.070 119.800 0.427 0.000 2.423 527 Q HA 0.771 5.110 4.340 -0.001 0.000 0.278 527 Q C -1.799 174.333 176.000 0.221 0.000 1.097 527 Q CA -1.177 54.755 55.803 0.214 0.000 0.809 527 Q CB 3.314 32.132 28.738 0.134 0.000 1.391 527 Q HN 0.872 nan 8.270 nan 0.000 0.428 528 M N 2.581 122.225 119.600 0.074 0.000 2.263 528 M HA 0.419 4.899 4.480 -0.001 0.000 0.295 528 M C -1.220 174.998 176.300 -0.137 0.000 1.028 528 M CA -0.866 54.398 55.300 -0.060 0.000 0.921 528 M CB 2.148 34.655 32.600 -0.155 0.000 1.601 528 M HN 0.599 nan 8.290 nan 0.000 0.440 529 I N 5.205 125.693 120.570 -0.138 0.000 2.322 529 I HA 0.302 4.471 4.170 -0.001 0.000 0.292 529 I C -0.437 175.521 176.117 -0.265 0.000 1.060 529 I CA -0.109 61.084 61.300 -0.179 0.000 1.309 529 I CB -0.030 37.883 38.000 -0.144 0.000 1.415 529 I HN 0.643 nan 8.210 nan 0.000 0.492 530 L N 8.494 129.513 121.223 -0.339 0.000 2.307 530 L HA 0.445 4.785 4.340 -0.001 0.000 0.284 530 L C -2.189 174.484 176.870 -0.328 0.000 1.023 530 L CA -1.886 52.664 54.840 -0.484 0.000 0.810 530 L CB 1.486 43.087 42.059 -0.763 0.000 1.231 530 L HN 0.266 nan 8.230 nan 0.000 0.423 531 P HA 0.009 nan 4.420 nan 0.000 0.266 531 P C -2.402 174.832 177.300 -0.111 0.000 1.193 531 P CA -0.705 62.294 63.100 -0.168 0.000 0.770 531 P CB -0.300 31.320 31.700 -0.133 0.000 0.836 532 P HA -0.099 nan 4.420 nan 0.000 0.268 532 P C -0.122 177.078 177.300 -0.167 0.000 1.208 532 P CA 0.676 63.628 63.100 -0.246 0.000 0.777 532 P CB 0.012 31.507 31.700 -0.341 0.000 0.875 533 H N -1.768 117.337 119.070 0.058 0.000 2.713 533 H HA -0.204 4.351 4.556 -0.001 0.000 0.311 533 H C 0.140 175.519 175.328 0.086 0.000 1.175 533 H CA 0.130 56.213 56.048 0.058 0.000 1.143 533 H CB -2.524 27.262 29.762 0.039 0.000 1.434 533 H HN 0.409 nan 8.280 nan 0.000 0.418 534 F N 2.355 122.297 119.950 -0.013 0.000 2.608 534 F HA 0.164 4.691 4.527 -0.001 0.000 0.380 534 F C 0.548 176.364 175.800 0.026 0.000 1.083 534 F CA 0.014 57.967 58.000 -0.077 0.000 1.266 534 F CB 0.559 39.410 39.000 -0.249 0.000 1.076 534 F HN 0.181 nan 8.300 nan 0.000 0.574 535 D N 5.925 125.927 120.400 -0.663 0.000 2.473 535 D HA 0.176 4.815 4.640 -0.001 0.000 0.253 535 D C 0.497 176.417 176.300 -0.634 0.000 1.233 535 D CA -0.460 53.258 54.000 -0.471 0.000 0.908 535 D CB 1.273 41.974 40.800 -0.166 0.000 1.170 535 D HN 0.647 nan 8.370 nan 0.000 0.558 536 K N 0.815 120.868 120.400 -0.578 0.000 2.286 536 K HA -0.093 4.227 4.320 -0.001 0.000 0.203 536 K C 1.524 178.098 176.600 -0.044 0.000 1.045 536 K CA 0.944 57.098 56.287 -0.222 0.000 0.935 536 K CB 0.221 32.733 32.500 0.021 0.000 0.737 536 K HN 0.207 nan 8.250 nan 0.000 0.460 537 S N 0.447 116.087 115.700 -0.099 0.000 2.453 537 S HA -0.018 4.451 4.470 -0.001 0.000 0.231 537 S C 0.532 175.077 174.600 -0.092 0.000 1.005 537 S CA 0.829 58.989 58.200 -0.066 0.000 0.949 537 S CB 0.114 63.271 63.200 -0.072 0.000 0.774 537 S HN 0.186 nan 8.310 nan 0.000 0.510 538 K N 1.400 121.705 120.400 -0.157 0.000 2.098 538 K HA 0.286 4.606 4.320 -0.001 0.000 0.244 538 K C -0.190 176.291 176.600 -0.198 0.000 1.014 538 K CA -0.145 55.975 56.287 -0.278 0.000 0.917 538 K CB 0.445 32.592 32.500 -0.589 0.000 1.072 538 K HN -0.216 nan 8.250 nan 0.000 0.477 539 K N 2.515 122.760 120.400 -0.259 0.000 2.404 539 K HA 0.220 4.540 4.320 -0.001 0.000 0.257 539 K C -1.067 175.428 176.600 -0.175 0.000 1.026 539 K CA -0.317 55.903 56.287 -0.112 0.000 0.951 539 K CB 0.592 33.037 32.500 -0.091 0.000 1.203 539 K HN 0.463 nan 8.250 nan 0.000 0.446 540 Y N 2.301 122.632 120.300 0.051 0.000 2.301 540 Y HA 0.241 4.790 4.550 -0.001 0.000 0.325 540 Y C -1.745 174.097 175.900 -0.097 0.000 1.203 540 Y CA -2.180 55.920 58.100 0.001 0.000 1.255 540 Y CB 0.417 38.928 38.460 0.085 0.000 1.232 540 Y HN 0.398 nan 8.280 nan 0.000 0.501 541 P HA 0.176 nan 4.420 nan 0.000 0.271 541 P C -1.158 176.019 177.300 -0.205 0.000 1.218 541 P CA -0.244 62.581 63.100 -0.459 0.000 0.780 541 P CB 0.783 31.936 31.700 -0.912 0.000 0.901 542 L N 2.946 124.077 121.223 -0.153 0.000 2.410 542 L HA 0.599 4.938 4.340 -0.001 0.000 0.270 542 L C -1.501 175.542 176.870 0.289 0.000 0.983 542 L CA -1.088 53.807 54.840 0.090 0.000 0.822 542 L CB 1.702 43.828 42.059 0.111 0.000 1.285 542 L HN 0.135 nan 8.230 nan 0.000 0.409 543 L N 5.263 126.676 121.223 0.318 0.000 2.305 543 L HA 0.519 4.858 4.340 -0.001 0.000 0.284 543 L C -1.274 175.836 176.870 0.399 0.000 1.013 543 L CA -0.352 54.736 54.840 0.413 0.000 0.819 543 L CB 1.571 43.826 42.059 0.327 0.000 1.227 543 L HN 0.624 nan 8.230 nan 0.000 0.417 544 L N 5.197 126.710 121.223 0.483 0.000 2.261 544 L HA 0.392 4.731 4.340 -0.001 0.000 0.289 544 L C -0.648 176.475 176.870 0.422 0.000 1.059 544 L CA 0.151 55.266 54.840 0.459 0.000 0.816 544 L CB 0.566 42.938 42.059 0.522 0.000 1.191 544 L HN 0.661 nan 8.230 nan 0.000 0.431 545 D N 4.730 125.354 120.400 0.373 0.000 2.359 545 D HA 0.344 4.983 4.640 -0.001 0.000 0.230 545 D C -0.760 175.633 176.300 0.155 0.000 1.118 545 D CA -0.191 53.957 54.000 0.246 0.000 0.844 545 D CB 1.048 42.062 40.800 0.358 0.000 1.059 545 D HN 0.306 nan 8.370 nan 0.000 0.493 546 V N 2.695 122.636 119.914 0.043 0.000 2.715 546 V HA 0.573 4.692 4.120 -0.001 0.000 0.310 546 V C -0.668 175.526 176.094 0.167 0.000 1.054 546 V CA -0.586 61.799 62.300 0.141 0.000 0.928 546 V CB 1.616 33.524 31.823 0.141 0.000 1.007 546 V HN 0.610 nan 8.190 nan 0.000 0.437 547 Y N 3.771 124.150 120.300 0.132 0.000 3.183 547 Y HA 0.571 5.120 4.550 -0.001 0.000 0.200 547 Y C 1.839 177.894 175.900 0.258 0.000 0.912 547 Y CA 1.297 59.504 58.100 0.178 0.000 1.642 547 Y CB 0.268 38.816 38.460 0.146 0.000 1.447 547 Y HN 1.328 nan 8.280 nan 0.000 0.421 548 A N 0.922 123.873 122.820 0.218 0.000 2.899 548 A HA -0.172 4.148 4.320 -0.001 0.000 0.257 548 A C 0.907 178.350 177.584 -0.235 0.000 1.335 548 A CA 0.882 52.979 52.037 0.101 0.000 0.924 548 A CB -2.527 16.588 19.000 0.192 0.000 1.105 548 A HN 0.937 nan 8.150 nan 0.000 0.765 549 G N -0.918 107.479 108.800 -0.672 0.000 2.684 549 G HA2 0.463 4.422 3.960 -0.001 0.000 0.255 549 G HA3 0.463 4.422 3.960 -0.001 0.000 0.255 549 G C -2.278 172.306 174.900 -0.527 0.000 1.219 549 G CA -0.712 43.597 45.100 -1.319 0.000 0.901 549 G HN 0.303 nan 8.290 nan 0.000 0.548 550 P HA 0.119 nan 4.420 nan 0.000 0.262 550 P C 0.460 177.623 177.300 -0.227 0.000 1.199 550 P CA 0.179 62.999 63.100 -0.467 0.000 0.763 550 P CB 0.657 31.662 31.700 -1.159 0.000 0.790 551 C N 2.735 121.981 119.300 -0.090 0.000 4.534 551 C HA -0.143 4.316 4.460 -0.001 0.000 0.275 551 C C 0.911 175.951 174.990 0.083 0.000 1.291 551 C CA 1.065 60.006 59.018 -0.129 0.000 1.876 551 C CB -2.664 24.843 27.740 -0.387 0.000 1.339 551 C HN 0.775 nan 8.230 nan 0.000 0.746 552 S N 0.249 116.061 115.700 0.186 0.000 2.617 552 S HA 0.591 5.061 4.470 -0.001 0.000 0.269 552 S C -0.659 174.137 174.600 0.328 0.000 1.292 552 S CA 0.211 58.613 58.200 0.337 0.000 1.010 552 S CB 1.661 65.121 63.200 0.433 0.000 0.944 552 S HN 0.830 nan 8.310 nan 0.000 0.536 553 Q N 0.345 120.360 119.800 0.360 0.000 2.269 553 Q HA 0.391 4.731 4.340 -0.001 0.000 0.263 553 Q C -0.701 175.437 176.000 0.230 0.000 0.983 553 Q CA -0.620 55.373 55.803 0.317 0.000 0.777 553 Q CB 1.131 30.099 28.738 0.385 0.000 1.273 553 Q HN 0.735 nan 8.270 nan 0.000 0.440 554 K N 1.155 121.687 120.400 0.220 0.000 2.402 554 K HA 0.352 4.672 4.320 -0.001 0.000 0.204 554 K C -0.608 176.102 176.600 0.184 0.000 1.056 554 K CA 0.179 56.583 56.287 0.194 0.000 1.069 554 K CB 1.673 34.315 32.500 0.237 0.000 0.888 554 K HN 0.500 nan 8.250 nan 0.000 0.546 555 A N 2.649 125.583 122.820 0.191 0.000 2.267 555 A HA 0.481 4.801 4.320 -0.001 0.000 0.315 555 A C -0.829 176.823 177.584 0.114 0.000 1.297 555 A CA -0.492 51.657 52.037 0.187 0.000 0.865 555 A CB 0.319 19.487 19.000 0.280 0.000 1.165 555 A HN 0.242 nan 8.150 nan 0.000 0.513 556 D N -0.074 120.368 120.400 0.069 0.000 2.759 556 D HA 0.399 5.038 4.640 -0.001 0.000 0.321 556 D C 0.385 176.697 176.300 0.019 0.000 1.267 556 D CA 0.297 54.322 54.000 0.041 0.000 0.933 556 D CB 0.229 41.047 40.800 0.030 0.000 1.431 556 D HN 0.191 nan 8.370 nan 0.000 0.504 557 T N -2.324 112.261 114.554 0.052 0.000 3.163 557 T HA 0.300 4.649 4.350 -0.001 0.000 0.252 557 T C 0.508 175.185 174.700 -0.039 0.000 1.056 557 T CA -0.341 61.787 62.100 0.046 0.000 0.947 557 T CB -0.590 68.350 68.868 0.119 0.000 1.016 557 T HN 0.278 nan 8.240 nan 0.000 0.554 558 V N 2.651 122.438 119.914 -0.211 0.000 2.572 558 V HA 0.283 4.402 4.120 -0.001 0.000 0.291 558 V C 0.071 176.110 176.094 -0.092 0.000 1.039 558 V CA -0.867 61.269 62.300 -0.272 0.000 1.055 558 V CB -0.057 31.476 31.823 -0.484 0.000 0.969 558 V HN 0.562 nan 8.190 nan 0.000 0.482 559 F N 6.642 126.499 119.950 -0.154 0.000 2.424 559 F HA 0.548 5.075 4.527 -0.001 0.000 0.356 559 F C 0.537 176.279 175.800 -0.097 0.000 1.110 559 F CA -0.188 57.745 58.000 -0.112 0.000 1.161 559 F CB 0.262 39.205 39.000 -0.095 0.000 1.115 559 F HN 0.429 nan 8.300 nan 0.000 0.507 560 R N 6.588 126.641 120.500 -0.745 0.000 2.686 560 R HA 0.543 4.882 4.340 -0.001 0.000 0.283 560 R C -1.563 174.347 176.300 -0.650 0.000 0.978 560 R CA -1.076 54.734 56.100 -0.483 0.000 0.897 560 R CB 2.162 32.309 30.300 -0.254 0.000 1.192 560 R HN 0.672 nan 8.270 nan 0.000 0.457 561 L N 4.259 125.295 121.223 -0.312 0.000 2.313 561 L HA 0.377 4.717 4.340 -0.001 0.000 0.273 561 L C -0.591 176.259 176.870 -0.033 0.000 1.028 561 L CA -0.626 54.057 54.840 -0.262 0.000 0.871 561 L CB 0.408 42.452 42.059 -0.026 0.000 1.242 561 L HN 0.754 nan 8.230 nan 0.000 0.434 562 N N 0.278 118.870 118.700 -0.180 0.000 3.387 562 N HA 0.168 4.907 4.740 -0.001 0.000 0.322 562 N C 0.238 175.404 175.510 -0.574 0.000 1.588 562 N CA -0.881 51.968 53.050 -0.335 0.000 0.778 562 N CB 0.188 38.611 38.487 -0.106 0.000 1.883 562 N HN 0.275 nan 8.380 nan 0.000 0.628 563 W N 0.656 121.391 121.300 -0.941 0.000 2.338 563 W HA 0.133 4.792 4.660 -0.001 0.000 0.304 563 W C 2.094 178.582 176.519 -0.053 0.000 1.212 563 W CA 2.886 59.940 57.345 -0.487 0.000 1.264 563 W CB -1.045 28.288 29.460 -0.212 0.000 1.142 563 W HN 0.705 nan 8.180 nan 0.000 0.512 564 A N -0.445 122.353 122.820 -0.037 0.000 1.940 564 A HA -0.234 4.085 4.320 -0.001 0.000 0.219 564 A C 1.960 179.436 177.584 -0.180 0.000 1.176 564 A CA 2.653 54.603 52.037 -0.145 0.000 0.631 564 A CB -1.340 17.657 19.000 -0.007 0.000 0.814 564 A HN 0.305 nan 8.150 nan 0.000 0.446 565 T N -1.282 113.176 114.554 -0.160 0.000 2.684 565 T HA -0.235 4.115 4.350 -0.001 0.000 0.267 565 T C 1.786 176.495 174.700 0.016 0.000 1.036 565 T CA 1.805 63.782 62.100 -0.207 0.000 1.148 565 T CB -0.537 68.033 68.868 -0.496 0.000 0.863 565 T HN 0.707 nan 8.240 nan 0.000 0.436 566 Y N 1.787 122.160 120.300 0.122 0.000 2.181 566 Y HA -0.058 4.491 4.550 -0.001 0.000 0.288 566 Y C 2.044 177.925 175.900 -0.031 0.000 1.146 566 Y CA 1.049 59.255 58.100 0.178 0.000 1.164 566 Y CB -0.543 38.014 38.460 0.161 0.000 0.982 566 Y HN 0.093 nan 8.280 nan 0.000 0.515 567 L N 0.449 121.248 121.223 -0.706 0.000 2.042 567 L HA -0.253 4.087 4.340 -0.001 0.000 0.210 567 L C 2.892 179.502 176.870 -0.433 0.000 1.076 567 L CA 1.369 55.729 54.840 -0.800 0.000 0.749 567 L CB -1.001 40.627 42.059 -0.718 0.000 0.893 567 L HN 0.452 nan 8.230 nan 0.000 0.432 568 A N -1.213 121.434 122.820 -0.288 0.000 1.872 568 A HA -0.194 4.126 4.320 -0.001 0.000 0.214 568 A C 2.528 180.026 177.584 -0.144 0.000 1.187 568 A CA 1.889 53.807 52.037 -0.197 0.000 0.614 568 A CB -0.625 18.258 19.000 -0.194 0.000 0.826 568 A HN 0.352 nan 8.150 nan 0.000 0.442 569 S N -1.400 114.235 115.700 -0.109 0.000 2.371 569 S HA -0.096 4.373 4.470 -0.001 0.000 0.224 569 S C 1.938 176.539 174.600 0.002 0.000 1.029 569 S CA 2.153 60.337 58.200 -0.026 0.000 0.978 569 S CB -0.316 62.926 63.200 0.070 0.000 0.833 569 S HN 0.572 nan 8.310 nan 0.000 0.466 570 T N 0.962 115.490 114.554 -0.042 0.000 3.033 570 T HA 0.211 4.561 4.350 -0.001 0.000 0.248 570 T C 1.221 175.885 174.700 -0.059 0.000 1.040 570 T CA 0.389 62.490 62.100 0.003 0.000 1.133 570 T CB 0.000 68.953 68.868 0.140 0.000 0.895 570 T HN 0.285 nan 8.240 nan 0.000 0.465 571 E N 1.257 121.334 120.200 -0.205 0.000 2.481 571 E HA 0.204 4.554 4.350 -0.001 0.000 0.198 571 E C -0.044 176.534 176.600 -0.036 0.000 1.027 571 E CA -0.111 56.212 56.400 -0.129 0.000 0.900 571 E CB -0.232 29.325 29.700 -0.238 0.000 0.993 571 E HN 0.530 nan 8.360 nan 0.000 0.482 572 N N 0.705 119.390 118.700 -0.024 0.000 2.735 572 N HA -0.193 4.547 4.740 -0.001 0.000 0.248 572 N C -0.759 174.812 175.510 0.102 0.000 1.083 572 N CA 0.187 53.284 53.050 0.079 0.000 0.703 572 N CB -1.158 37.438 38.487 0.181 0.000 1.005 572 N HN 0.201 nan 8.380 nan 0.000 0.550 573 I N 1.119 121.680 120.570 -0.015 0.000 2.359 573 I HA 0.327 4.496 4.170 -0.001 0.000 0.294 573 I C 0.629 176.707 176.117 -0.064 0.000 0.987 573 I CA -0.762 60.541 61.300 0.005 0.000 1.225 573 I CB 1.222 39.237 38.000 0.025 0.000 1.366 573 I HN 0.031 nan 8.210 nan 0.000 0.466 574 I N 6.593 127.136 120.570 -0.045 0.000 2.416 574 I HA 0.150 4.319 4.170 -0.001 0.000 0.288 574 I C -0.352 175.744 176.117 -0.034 0.000 1.051 574 I CA -0.360 60.872 61.300 -0.112 0.000 1.375 574 I CB 0.938 38.867 38.000 -0.118 0.000 1.407 574 I HN 0.203 nan 8.210 nan 0.000 0.516 575 V N 6.617 126.497 119.914 -0.057 0.000 2.357 575 V HA 0.627 4.746 4.120 -0.001 0.000 0.284 575 V C 0.289 176.409 176.094 0.043 0.000 1.018 575 V CA -0.434 61.885 62.300 0.033 0.000 0.841 575 V CB 1.165 32.999 31.823 0.020 0.000 0.991 575 V HN 0.848 nan 8.190 nan 0.000 0.437 576 A N 4.015 126.900 122.820 0.109 0.000 2.356 576 A HA 0.948 5.267 4.320 -0.001 0.000 0.323 576 A C -0.175 177.589 177.584 0.301 0.000 1.119 576 A CA -0.497 51.613 52.037 0.121 0.000 0.790 576 A CB 1.749 20.674 19.000 -0.125 0.000 1.273 576 A HN 0.684 nan 8.150 nan 0.000 0.452 577 S N -0.218 115.702 115.700 0.365 0.000 2.599 577 S HA 0.808 5.277 4.470 -0.001 0.000 0.294 577 S C -1.431 173.540 174.600 0.618 0.000 1.094 577 S CA -0.313 58.144 58.200 0.429 0.000 0.931 577 S CB 1.395 64.782 63.200 0.312 0.000 1.093 577 S HN 0.768 nan 8.310 nan 0.000 0.488 578 F N 1.618 121.810 119.950 0.403 0.000 2.574 578 F HA 0.419 4.945 4.527 -0.001 0.000 0.313 578 F C -1.683 174.320 175.800 0.339 0.000 1.130 578 F CA -0.715 57.540 58.000 0.424 0.000 0.936 578 F CB 1.465 40.675 39.000 0.350 0.000 1.219 578 F HN 0.393 nan 8.300 nan 0.000 0.445 579 D N 4.725 124.972 120.400 -0.255 0.000 2.443 579 D HA 0.398 5.037 4.640 -0.001 0.000 0.221 579 D C 0.354 176.408 176.300 -0.409 0.000 1.097 579 D CA 0.158 54.078 54.000 -0.133 0.000 0.865 579 D CB 1.482 42.339 40.800 0.094 0.000 1.034 579 D HN 0.749 nan 8.370 nan 0.000 0.511 580 G N 1.285 109.964 108.800 -0.200 0.000 2.702 580 G HA2 0.323 4.282 3.960 -0.001 0.000 0.254 580 G HA3 0.323 4.282 3.960 -0.001 0.000 0.254 580 G C 0.103 175.040 174.900 0.060 0.000 1.380 580 G CA -0.788 44.212 45.100 -0.167 0.000 1.042 580 G HN 0.290 nan 8.290 nan 0.000 0.557 581 R N -0.810 119.698 120.500 0.014 0.000 2.638 581 R HA 0.319 4.658 4.340 -0.001 0.000 0.268 581 R C 1.342 177.747 176.300 0.174 0.000 1.006 581 R CA 1.544 57.748 56.100 0.173 0.000 1.088 581 R CB 0.246 30.634 30.300 0.146 0.000 0.950 581 R HN 1.129 nan 8.270 nan 0.000 0.419 582 G N 0.952 109.853 108.800 0.168 0.000 2.241 582 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.244 582 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.244 582 G C 0.145 175.091 174.900 0.078 0.000 0.998 582 G CA 0.217 45.391 45.100 0.123 0.000 0.621 582 G HN 0.748 nan 8.290 nan 0.000 0.519 583 S N 0.468 116.230 115.700 0.105 0.000 2.593 583 S HA 0.639 5.109 4.470 -0.001 0.000 0.269 583 S C 0.894 175.513 174.600 0.032 0.000 1.334 583 S CA 0.480 58.738 58.200 0.097 0.000 1.015 583 S CB 1.774 65.063 63.200 0.149 0.000 0.912 583 S HN 1.656 nan 8.310 nan 0.000 0.541 584 G N -0.532 108.251 108.800 -0.028 0.000 2.531 584 G HA2 0.491 4.451 3.960 -0.001 0.000 0.313 584 G HA3 0.491 4.451 3.960 -0.001 0.000 0.313 584 G C -0.738 174.057 174.900 -0.175 0.000 1.238 584 G CA -1.065 43.847 45.100 -0.313 0.000 0.994 584 G HN 1.046 nan 8.290 nan 0.000 0.493 585 Y N -2.436 117.886 120.300 0.037 0.000 4.668 585 Y HA -0.240 4.309 4.550 -0.001 0.000 0.234 585 Y C 1.497 177.421 175.900 0.040 0.000 1.056 585 Y CA 1.078 59.203 58.100 0.041 0.000 2.025 585 Y CB -1.755 36.741 38.460 0.060 0.000 1.613 585 Y HN 0.520 nan 8.280 nan 0.000 0.653 586 Q N 0.110 119.950 119.800 0.067 0.000 2.127 586 Q HA 0.489 4.829 4.340 -0.001 0.000 0.222 586 Q C 0.835 176.771 176.000 -0.107 0.000 0.794 586 Q CA 0.249 56.101 55.803 0.082 0.000 1.010 586 Q CB 1.993 30.776 28.738 0.075 0.000 1.170 586 Q HN 0.528 nan 8.270 nan 0.000 0.479 587 G N 0.734 109.345 108.800 -0.316 0.000 2.587 587 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.686 587 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.686 587 G C -0.643 173.922 174.900 -0.558 0.000 1.236 587 G CA -0.667 43.982 45.100 -0.752 0.000 0.820 587 G HN 0.053 nan 8.290 nan 0.000 0.645 588 D N 0.209 120.233 120.400 -0.628 0.000 2.264 588 D HA -0.081 4.558 4.640 -0.001 0.000 0.208 588 D C 2.447 178.479 176.300 -0.447 0.000 0.966 588 D CA 1.277 54.860 54.000 -0.696 0.000 0.864 588 D CB 0.171 40.505 40.800 -0.777 0.000 0.933 588 D HN 0.601 nan 8.370 nan 0.000 0.499 589 K N 1.133 121.324 120.400 -0.349 0.000 2.057 589 K HA -0.125 4.195 4.320 -0.001 0.000 0.206 589 K C 1.980 178.522 176.600 -0.097 0.000 1.050 589 K CA 0.893 57.068 56.287 -0.186 0.000 0.935 589 K CB -0.530 31.870 32.500 -0.167 0.000 0.715 589 K HN 0.204 nan 8.250 nan 0.000 0.439 590 I N 0.891 121.397 120.570 -0.107 0.000 2.277 590 I HA -0.152 4.018 4.170 -0.001 0.000 0.243 590 I C 2.904 179.040 176.117 0.032 0.000 1.094 590 I CA 0.912 62.225 61.300 0.022 0.000 1.393 590 I CB -0.128 37.903 38.000 0.052 0.000 1.078 590 I HN 0.168 nan 8.210 nan 0.000 0.417 591 M N -0.010 119.545 119.600 -0.075 0.000 2.159 591 M HA -0.238 4.241 4.480 -0.001 0.000 0.263 591 M C 1.929 178.303 176.300 0.124 0.000 1.063 591 M CA 1.852 57.137 55.300 -0.026 0.000 1.110 591 M CB -0.224 32.269 32.600 -0.179 0.000 1.374 591 M HN 0.260 nan 8.290 nan 0.000 0.411 592 H N -0.389 118.591 119.070 -0.149 0.000 2.547 592 H HA 0.257 4.813 4.556 -0.001 0.000 0.266 592 H C 1.825 177.173 175.328 0.033 0.000 0.988 592 H CA 0.681 56.634 56.048 -0.157 0.000 1.147 592 H CB -0.408 29.177 29.762 -0.295 0.000 1.365 592 H HN 0.464 nan 8.280 nan 0.000 0.589 593 A N 1.236 124.174 122.820 0.196 0.000 2.024 593 A HA -0.116 4.204 4.320 -0.001 0.000 0.220 593 A C 1.795 179.587 177.584 0.346 0.000 1.164 593 A CA 1.342 53.524 52.037 0.242 0.000 0.643 593 A CB -0.497 18.623 19.000 0.202 0.000 0.806 593 A HN 0.356 nan 8.150 nan 0.000 0.451 594 I N -1.995 118.738 120.570 0.272 0.000 3.891 594 I HA 0.159 4.328 4.170 -0.001 0.000 0.331 594 I C 0.064 176.241 176.117 0.100 0.000 1.406 594 I CA -1.145 60.253 61.300 0.163 0.000 1.139 594 I CB -2.046 36.029 38.000 0.125 0.000 1.056 594 I HN 0.240 nan 8.210 nan 0.000 0.399 595 N N 2.841 121.642 118.700 0.168 0.000 2.412 595 N HA -0.038 4.701 4.740 -0.001 0.000 0.258 595 N C 0.219 175.739 175.510 0.016 0.000 1.236 595 N CA 0.230 53.377 53.050 0.161 0.000 0.882 595 N CB 0.342 38.893 38.487 0.108 0.000 1.066 595 N HN 0.299 nan 8.380 nan 0.000 0.465 596 R N 0.609 121.103 120.500 -0.010 0.000 4.016 596 R HA -0.218 4.121 4.340 -0.001 0.000 0.385 596 R C -0.088 176.070 176.300 -0.238 0.000 1.158 596 R CA 1.062 57.113 56.100 -0.082 0.000 1.117 596 R CB -1.010 29.262 30.300 -0.046 0.000 1.635 596 R HN 0.601 nan 8.270 nan 0.000 0.560 597 R N 0.905 121.235 120.500 -0.283 0.000 2.718 597 R HA 0.337 4.676 4.340 -0.001 0.000 0.307 597 R C -0.461 175.737 176.300 -0.169 0.000 1.244 597 R CA -0.215 55.532 56.100 -0.588 0.000 1.348 597 R CB 0.561 30.504 30.300 -0.595 0.000 1.304 597 R HN 0.037 nan 8.270 nan 0.000 0.663 598 L N -0.055 121.181 121.223 0.022 0.000 2.483 598 L HA 0.226 4.565 4.340 -0.001 0.000 0.276 598 L C 1.266 178.379 176.870 0.403 0.000 1.213 598 L CA 0.940 55.855 54.840 0.125 0.000 0.843 598 L CB 0.645 42.572 42.059 -0.220 0.000 1.107 598 L HN 0.730 nan 8.230 nan 0.000 0.487 599 G N 0.936 110.002 108.800 0.443 0.000 2.147 599 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.244 599 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.244 599 G C 0.417 175.408 174.900 0.151 0.000 1.005 599 G CA 0.526 45.839 45.100 0.354 0.000 0.713 599 G HN 0.834 nan 8.290 nan 0.000 0.515 600 T N -3.408 111.189 114.554 0.072 0.000 3.066 600 T HA 0.494 4.844 4.350 -0.001 0.000 0.176 600 T C 1.639 176.338 174.700 -0.002 0.000 0.826 600 T CA 0.860 62.908 62.100 -0.086 0.000 1.280 600 T CB -0.054 68.558 68.868 -0.426 0.000 2.214 600 T HN 0.125 nan 8.240 nan 0.000 0.399 601 F N 3.188 123.181 119.950 0.071 0.000 2.120 601 F HA 0.029 4.556 4.527 -0.001 0.000 0.300 601 F C 2.622 178.457 175.800 0.058 0.000 1.095 601 F CA 1.402 59.432 58.000 0.050 0.000 1.249 601 F CB -1.186 37.841 39.000 0.045 0.000 0.995 601 F HN 0.597 nan 8.300 nan 0.000 0.480 602 E N 0.024 120.383 120.200 0.265 0.000 2.085 602 E HA -0.176 4.174 4.350 -0.001 0.000 0.194 602 E C 2.116 178.823 176.600 0.179 0.000 0.994 602 E CA 1.843 58.373 56.400 0.217 0.000 0.801 602 E CB -1.019 28.823 29.700 0.237 0.000 0.743 602 E HN 0.252 nan 8.360 nan 0.000 0.453 603 V N 1.630 121.626 119.914 0.136 0.000 2.283 603 V HA -0.225 3.894 4.120 -0.001 0.000 0.243 603 V C 2.212 178.340 176.094 0.057 0.000 1.039 603 V CA 2.201 64.534 62.300 0.055 0.000 1.016 603 V CB -0.638 31.173 31.823 -0.019 0.000 0.650 603 V HN 0.243 nan 8.190 nan 0.000 0.449 604 E N 0.159 120.410 120.200 0.086 0.000 2.130 604 E HA -0.268 4.082 4.350 -0.001 0.000 0.196 604 E C 1.896 178.523 176.600 0.044 0.000 0.998 604 E CA 1.608 58.054 56.400 0.077 0.000 0.806 604 E CB -0.217 29.566 29.700 0.139 0.000 0.738 604 E HN 0.588 nan 8.360 nan 0.000 0.459 605 D N 0.216 120.659 120.400 0.071 0.000 2.144 605 D HA -0.122 4.518 4.640 -0.001 0.000 0.200 605 D C 2.012 178.288 176.300 -0.040 0.000 0.978 605 D CA 0.741 54.758 54.000 0.028 0.000 0.833 605 D CB -0.102 40.774 40.800 0.126 0.000 0.961 605 D HN 0.098 nan 8.370 nan 0.000 0.470 606 Q N 0.177 120.019 119.800 0.069 0.000 2.079 606 Q HA -0.051 4.288 4.340 -0.001 0.000 0.200 606 Q C 2.562 178.578 176.000 0.027 0.000 0.974 606 Q CA 0.552 56.395 55.803 0.067 0.000 0.840 606 Q CB -0.159 28.651 28.738 0.119 0.000 0.898 606 Q HN 0.424 nan 8.270 nan 0.000 0.430 607 I N 0.747 121.354 120.570 0.061 0.000 2.179 607 I HA -0.270 3.899 4.170 -0.001 0.000 0.242 607 I C 2.398 178.469 176.117 -0.077 0.000 1.088 607 I CA 1.297 62.674 61.300 0.128 0.000 1.357 607 I CB -0.234 37.828 38.000 0.103 0.000 1.051 607 I HN 0.158 nan 8.210 nan 0.000 0.409 608 E N 1.434 121.536 120.200 -0.163 0.000 2.153 608 E HA -0.195 4.155 4.350 -0.001 0.000 0.194 608 E C 2.027 178.331 176.600 -0.493 0.000 0.988 608 E CA 1.552 57.794 56.400 -0.262 0.000 0.811 608 E CB -0.134 29.436 29.700 -0.217 0.000 0.746 608 E HN 0.432 nan 8.360 nan 0.000 0.466 609 A N 0.758 123.130 122.820 -0.746 0.000 1.877 609 A HA -0.020 4.299 4.320 -0.001 0.000 0.216 609 A C 2.463 179.321 177.584 -1.210 0.000 1.186 609 A CA 2.027 53.283 52.037 -1.302 0.000 0.620 609 A CB -1.061 16.943 19.000 -1.659 0.000 0.822 609 A HN 0.385 nan 8.150 nan 0.000 0.443 610 A N -0.161 122.313 122.820 -0.578 0.000 1.883 610 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 610 A C 2.249 179.637 177.584 -0.326 0.000 1.186 610 A CA 1.596 53.447 52.037 -0.309 0.000 0.624 610 A CB -0.535 18.321 19.000 -0.240 0.000 0.822 610 A HN 0.542 nan 8.150 nan 0.000 0.444 611 R N -0.817 119.490 120.500 -0.323 0.000 2.096 611 R HA -0.166 4.173 4.340 -0.001 0.000 0.240 611 R C 2.465 178.610 176.300 -0.258 0.000 1.139 611 R CA 1.606 57.556 56.100 -0.251 0.000 0.952 611 R CB -0.371 29.805 30.300 -0.206 0.000 0.854 611 R HN 0.592 nan 8.270 nan 0.000 0.436 612 Q N -0.215 119.363 119.800 -0.370 0.000 2.084 612 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 612 Q C 2.101 177.968 176.000 -0.223 0.000 0.978 612 Q CA 1.374 56.979 55.803 -0.329 0.000 0.844 612 Q CB -0.253 28.213 28.738 -0.454 0.000 0.898 612 Q HN 0.281 nan 8.270 nan 0.000 0.426 613 F N 1.420 121.206 119.950 -0.275 0.000 2.134 613 F HA -0.170 4.356 4.527 -0.001 0.000 0.299 613 F C 2.714 178.329 175.800 -0.308 0.000 1.097 613 F CA 1.321 59.149 58.000 -0.285 0.000 1.264 613 F CB -1.320 37.561 39.000 -0.197 0.000 1.001 613 F HN 0.076 nan 8.300 nan 0.000 0.479 614 S N -0.266 115.392 115.700 -0.071 0.000 2.383 614 S HA -0.191 4.279 4.470 -0.001 0.000 0.227 614 S C 1.825 176.322 174.600 -0.172 0.000 1.026 614 S CA 0.982 59.103 58.200 -0.131 0.000 0.981 614 S CB -0.543 62.582 63.200 -0.124 0.000 0.818 614 S HN 0.257 nan 8.310 nan 0.000 0.472 615 K N 0.871 121.175 120.400 -0.160 0.000 2.442 615 K HA 0.239 4.558 4.320 -0.001 0.000 0.198 615 K C 1.826 178.322 176.600 -0.174 0.000 1.042 615 K CA 0.630 56.830 56.287 -0.144 0.000 0.958 615 K CB -0.373 32.057 32.500 -0.117 0.000 0.766 615 K HN 0.411 nan 8.250 nan 0.000 0.474 616 M N -1.199 118.237 119.600 -0.273 0.000 2.460 616 M HA -0.020 4.459 4.480 -0.001 0.000 0.263 616 M C 1.180 177.237 176.300 -0.404 0.000 1.071 616 M CA 1.240 56.315 55.300 -0.374 0.000 1.096 616 M CB 0.230 32.458 32.600 -0.620 0.000 1.408 616 M HN 0.452 nan 8.290 nan 0.000 0.463 617 G N 0.515 109.104 108.800 -0.350 0.000 2.175 617 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.244 617 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.244 617 G C 0.396 175.261 174.900 -0.059 0.000 0.982 617 G CA 0.232 45.232 45.100 -0.166 0.000 0.641 617 G HN 0.647 nan 8.290 nan 0.000 0.527 618 F N -0.485 119.523 119.950 0.098 0.000 2.764 618 F HA 0.773 5.300 4.527 -0.001 0.000 0.310 618 F C -0.042 175.872 175.800 0.190 0.000 1.124 618 F CA -0.979 57.114 58.000 0.154 0.000 1.252 618 F CB 0.548 39.723 39.000 0.291 0.000 1.010 618 F HN 0.056 nan 8.300 nan 0.000 0.518 619 V N 1.399 121.383 119.914 0.117 0.000 2.495 619 V HA 0.229 4.349 4.120 -0.001 0.000 0.298 619 V C -0.810 175.289 176.094 0.009 0.000 1.031 619 V CA -0.686 61.680 62.300 0.110 0.000 0.871 619 V CB 1.716 33.548 31.823 0.015 0.000 0.988 619 V HN 0.144 nan 8.190 nan 0.000 0.432 620 D N 3.778 124.169 120.400 -0.015 0.000 2.336 620 D HA 0.106 4.746 4.640 -0.001 0.000 0.249 620 D C 1.009 177.257 176.300 -0.086 0.000 1.213 620 D CA 0.066 54.023 54.000 -0.072 0.000 0.870 620 D CB 0.926 41.658 40.800 -0.113 0.000 1.076 620 D HN 0.413 nan 8.370 nan 0.000 0.483 621 N N 3.074 121.727 118.700 -0.079 0.000 2.272 621 N HA -0.139 4.601 4.740 -0.001 0.000 0.185 621 N C 0.982 176.446 175.510 -0.076 0.000 1.014 621 N CA 0.989 53.988 53.050 -0.086 0.000 0.870 621 N CB 0.100 38.540 38.487 -0.079 0.000 0.975 621 N HN 0.507 nan 8.380 nan 0.000 0.433 622 K N -0.263 120.099 120.400 -0.062 0.000 2.418 622 K HA 0.146 4.466 4.320 -0.001 0.000 0.195 622 K C 0.177 176.771 176.600 -0.010 0.000 1.035 622 K CA 0.433 56.700 56.287 -0.032 0.000 1.003 622 K CB 0.459 32.944 32.500 -0.026 0.000 0.793 622 K HN 0.011 nan 8.250 nan 0.000 0.494 623 R N 1.342 121.796 120.500 -0.077 0.000 2.651 623 R HA 0.357 4.696 4.340 -0.001 0.000 0.282 623 R C -1.019 175.185 176.300 -0.161 0.000 1.565 623 R CA -0.108 55.905 56.100 -0.146 0.000 1.661 623 R CB 0.589 30.589 30.300 -0.500 0.000 1.189 623 R HN 0.013 nan 8.270 nan 0.000 0.621 624 I N 1.076 121.709 120.570 0.106 0.000 2.436 624 I HA 0.606 4.775 4.170 -0.001 0.000 0.289 624 I C -0.114 176.272 176.117 0.449 0.000 1.010 624 I CA -0.797 60.603 61.300 0.167 0.000 1.098 624 I CB 1.979 39.914 38.000 -0.110 0.000 1.266 624 I HN 0.341 nan 8.210 nan 0.000 0.434 625 A N 6.793 129.997 122.820 0.640 0.000 2.486 625 A HA 0.931 5.251 4.320 -0.001 0.000 0.289 625 A C -1.334 176.645 177.584 0.659 0.000 1.176 625 A CA -0.642 51.785 52.037 0.649 0.000 0.757 625 A CB 2.334 21.602 19.000 0.446 0.000 1.337 625 A HN 0.723 nan 8.150 nan 0.000 0.423 626 I N 0.151 120.998 120.570 0.461 0.000 2.722 626 I HA 0.732 4.901 4.170 -0.001 0.000 0.295 626 I C -1.910 174.466 176.117 0.433 0.000 1.161 626 I CA -0.551 60.945 61.300 0.327 0.000 1.032 626 I CB 1.723 39.625 38.000 -0.164 0.000 1.244 626 I HN 0.944 nan 8.210 nan 0.000 0.421 627 W N 6.856 128.288 121.300 0.221 0.000 3.137 627 W HA 0.858 5.517 4.660 -0.001 0.000 0.324 627 W C -1.450 175.221 176.519 0.253 0.000 1.253 627 W CA -0.945 56.538 57.345 0.230 0.000 1.183 627 W CB 1.026 30.671 29.460 0.308 0.000 1.424 627 W HN 0.855 nan 8.180 nan 0.000 0.566 628 G N 0.605 109.330 108.800 -0.125 0.000 2.523 628 G HA2 0.449 4.409 3.960 -0.001 0.000 0.291 628 G HA3 0.449 4.409 3.960 -0.001 0.000 0.291 628 G C -2.824 172.035 174.900 -0.068 0.000 1.450 628 G CA -0.769 44.122 45.100 -0.349 0.000 0.790 628 G HN 0.604 nan 8.290 nan 0.000 0.496 629 W N 1.018 122.224 121.300 -0.157 0.000 2.632 629 W HA 0.600 5.260 4.660 -0.001 0.000 0.328 629 W C 0.763 177.353 176.519 0.119 0.000 1.044 629 W CA 0.422 57.758 57.345 -0.014 0.000 1.225 629 W CB 1.796 31.236 29.460 -0.034 0.000 1.396 629 W HN 1.206 nan 8.180 nan 0.000 0.499 630 S N 2.802 118.739 115.700 0.395 0.000 4.141 630 S HA -0.418 4.051 4.470 -0.001 0.000 0.622 630 S C 1.160 175.875 174.600 0.191 0.000 1.894 630 S CA 1.717 60.167 58.200 0.418 0.000 4.238 630 S CB -1.852 61.770 63.200 0.704 0.000 0.205 630 S HN 0.717 nan 8.310 nan 0.000 0.486 631 Y N 2.205 122.531 120.300 0.043 0.000 2.207 631 Y HA -0.017 4.533 4.550 -0.001 0.000 0.287 631 Y C 2.389 178.226 175.900 -0.106 0.000 1.156 631 Y CA 2.593 60.605 58.100 -0.147 0.000 1.182 631 Y CB -0.981 37.179 38.460 -0.500 0.000 0.979 631 Y HN 0.539 nan 8.280 nan 0.000 0.521 632 G N -0.979 107.861 108.800 0.065 0.000 2.432 632 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.219 632 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.219 632 G C 1.840 176.782 174.900 0.071 0.000 1.135 632 G CA 0.778 45.946 45.100 0.113 0.000 0.767 632 G HN 0.572 nan 8.290 nan 0.000 0.550 633 G N -0.402 108.446 108.800 0.080 0.000 2.421 633 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.217 633 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.217 633 G C 1.505 176.425 174.900 0.033 0.000 1.143 633 G CA 0.897 46.025 45.100 0.047 0.000 0.784 633 G HN 0.478 nan 8.290 nan 0.000 0.541 634 Y N 1.123 121.324 120.300 -0.165 0.000 2.089 634 Y HA -0.185 4.364 4.550 -0.001 0.000 0.282 634 Y C 2.820 178.613 175.900 -0.178 0.000 1.139 634 Y CA 1.892 59.834 58.100 -0.264 0.000 1.123 634 Y CB -0.249 37.893 38.460 -0.530 0.000 0.980 634 Y HN 0.026 nan 8.280 nan 0.000 0.493 635 V N -0.027 119.737 119.914 -0.250 0.000 2.332 635 V HA -0.353 3.767 4.120 -0.001 0.000 0.248 635 V C 2.311 178.282 176.094 -0.206 0.000 1.055 635 V CA 2.416 64.571 62.300 -0.241 0.000 1.038 635 V CB -1.143 30.689 31.823 0.015 0.000 0.651 635 V HN 0.534 nan 8.190 nan 0.000 0.450 636 T N -0.053 114.438 114.554 -0.104 0.000 2.635 636 T HA -0.210 4.140 4.350 -0.001 0.000 0.267 636 T C 2.125 176.761 174.700 -0.107 0.000 1.040 636 T CA 2.112 64.166 62.100 -0.076 0.000 1.156 636 T CB -0.287 68.620 68.868 0.064 0.000 0.863 636 T HN 0.549 nan 8.240 nan 0.000 0.430 637 S N 0.970 116.636 115.700 -0.056 0.000 2.368 637 S HA -0.009 4.460 4.470 -0.001 0.000 0.224 637 S C 2.129 176.621 174.600 -0.181 0.000 1.029 637 S CA 0.894 59.083 58.200 -0.019 0.000 0.988 637 S CB -0.260 62.988 63.200 0.079 0.000 0.838 637 S HN 0.316 nan 8.310 nan 0.000 0.462 638 M N 0.931 120.331 119.600 -0.333 0.000 2.132 638 M HA -0.009 4.471 4.480 -0.001 0.000 0.263 638 M C 2.222 178.340 176.300 -0.303 0.000 1.065 638 M CA 1.044 56.129 55.300 -0.359 0.000 1.122 638 M CB -1.417 30.864 32.600 -0.533 0.000 1.365 638 M HN 0.174 nan 8.290 nan 0.000 0.411 639 V N 0.697 120.428 119.914 -0.306 0.000 2.307 639 V HA -0.239 3.881 4.120 -0.001 0.000 0.245 639 V C 2.508 178.389 176.094 -0.355 0.000 1.045 639 V CA 1.412 63.529 62.300 -0.305 0.000 1.024 639 V CB -0.620 30.959 31.823 -0.406 0.000 0.651 639 V HN 0.397 nan 8.190 nan 0.000 0.449 640 L N 0.378 121.331 121.223 -0.450 0.000 2.191 640 L HA -0.040 4.299 4.340 -0.001 0.000 0.212 640 L C 2.157 178.491 176.870 -0.893 0.000 1.103 640 L CA 1.441 55.930 54.840 -0.586 0.000 0.769 640 L CB -0.695 40.988 42.059 -0.626 0.000 0.908 640 L HN 0.478 nan 8.230 nan 0.000 0.438 641 G N -1.355 106.901 108.800 -0.907 0.000 3.314 641 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.238 641 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.238 641 G C 1.355 176.067 174.900 -0.313 0.000 1.184 641 G CA 0.542 45.202 45.100 -0.732 0.000 0.806 641 G HN 0.421 nan 8.290 nan 0.000 0.536 642 S N -1.116 114.429 115.700 -0.257 0.000 2.503 642 S HA 0.324 4.794 4.470 -0.001 0.000 0.217 642 S C 1.906 176.452 174.600 -0.089 0.000 0.999 642 S CA 0.938 59.057 58.200 -0.135 0.000 0.914 642 S CB 0.073 63.213 63.200 -0.100 0.000 0.782 642 S HN 1.314 nan 8.310 nan 0.000 0.520 643 G N 1.604 110.344 108.800 -0.101 0.000 2.148 643 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.254 643 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.254 643 G C 0.989 175.874 174.900 -0.025 0.000 0.981 643 G CA 0.917 45.983 45.100 -0.056 0.000 0.670 643 G HN 1.248 nan 8.290 nan 0.000 0.528 644 S N -0.426 115.268 115.700 -0.010 0.000 2.447 644 S HA 0.286 4.756 4.470 -0.001 0.000 0.233 644 S C 2.602 177.209 174.600 0.011 0.000 1.006 644 S CA 1.753 59.962 58.200 0.016 0.000 0.957 644 S CB -0.309 62.927 63.200 0.061 0.000 0.773 644 S HN 2.431 nan 8.310 nan 0.000 0.507 645 G N -0.026 108.786 108.800 0.021 0.000 2.184 645 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.264 645 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.264 645 G C 0.813 175.707 174.900 -0.009 0.000 0.975 645 G CA 0.491 45.596 45.100 0.009 0.000 0.642 645 G HN 0.758 nan 8.290 nan 0.000 0.536 646 V N -0.555 119.346 119.914 -0.021 0.000 2.591 646 V HA 0.257 4.376 4.120 -0.001 0.000 0.249 646 V C 1.166 177.059 176.094 -0.335 0.000 1.053 646 V CA 1.423 63.592 62.300 -0.218 0.000 1.068 646 V CB -0.353 31.252 31.823 -0.363 0.000 0.689 646 V HN 0.298 nan 8.190 nan 0.000 0.462 647 F N 0.016 119.980 119.950 0.024 0.000 2.436 647 F HA 0.401 4.928 4.527 -0.001 0.000 0.340 647 F C 1.125 176.975 175.800 0.082 0.000 1.113 647 F CA -0.573 57.470 58.000 0.071 0.000 1.022 647 F CB 1.427 40.470 39.000 0.071 0.000 1.128 647 F HN -0.254 nan 8.300 nan 0.000 0.466 648 K N 1.818 122.380 120.400 0.270 0.000 2.116 648 K HA 0.044 4.363 4.320 -0.001 0.000 0.203 648 K C 0.018 176.763 176.600 0.241 0.000 1.052 648 K CA 1.049 57.465 56.287 0.216 0.000 0.952 648 K CB 0.214 32.844 32.500 0.216 0.000 0.729 648 K HN 0.814 nan 8.250 nan 0.000 0.446 649 c N -3.580 115.208 118.600 0.313 0.000 3.314 649 c HA 0.881 5.451 4.570 -0.001 0.000 0.344 649 c C -0.250 174.082 174.090 0.403 0.000 1.461 649 c CA -0.527 56.007 56.329 0.341 0.000 1.249 649 c CB 1.102 43.759 42.510 0.245 0.000 1.632 649 c HN 0.358 nan 8.230 nan 0.000 0.452 650 G N -0.286 108.816 108.800 0.503 0.000 2.523 650 G HA2 0.680 4.640 3.960 -0.001 0.000 0.291 650 G HA3 0.680 4.640 3.960 -0.001 0.000 0.291 650 G C -2.140 172.984 174.900 0.373 0.000 1.450 650 G CA -0.670 44.690 45.100 0.434 0.000 0.790 650 G HN 1.060 nan 8.290 nan 0.000 0.496 651 I N 0.701 121.460 120.570 0.316 0.000 2.478 651 I HA 0.600 4.769 4.170 -0.001 0.000 0.287 651 I C 0.161 176.401 176.117 0.205 0.000 1.042 651 I CA -0.953 60.417 61.300 0.118 0.000 1.067 651 I CB 2.164 40.221 38.000 0.095 0.000 1.233 651 I HN 0.685 nan 8.210 nan 0.000 0.431 652 A N 6.614 129.457 122.820 0.039 0.000 2.287 652 A HA 0.780 5.099 4.320 -0.001 0.000 0.317 652 A C -0.653 176.853 177.584 -0.130 0.000 1.220 652 A CA -0.499 51.563 52.037 0.042 0.000 0.835 652 A CB 1.051 20.133 19.000 0.138 0.000 1.180 652 A HN 0.447 nan 8.150 nan 0.000 0.500 653 V N 2.129 121.918 119.914 -0.208 0.000 2.384 653 V HA 0.565 4.685 4.120 -0.001 0.000 0.287 653 V C 0.956 176.676 176.094 -0.622 0.000 1.020 653 V CA 0.288 62.250 62.300 -0.563 0.000 0.850 653 V CB 0.688 31.860 31.823 -1.085 0.000 0.987 653 V HN 2.081 nan 8.190 nan 0.000 0.436 654 A N 5.547 128.004 122.820 -0.605 0.000 2.640 654 A HA -0.106 4.213 4.320 -0.001 0.000 0.300 654 A C -1.594 175.870 177.584 -0.201 0.000 1.499 654 A CA 0.399 52.000 52.037 -0.726 0.000 0.759 654 A CB -1.617 17.064 19.000 -0.532 0.000 1.048 654 A HN 0.640 nan 8.150 nan 0.000 0.450 655 P HA 0.360 nan 4.420 nan 0.000 0.275 655 P C 0.308 177.578 177.300 -0.050 0.000 1.228 655 P CA -0.034 63.054 63.100 -0.020 0.000 0.786 655 P CB 1.167 32.875 31.700 0.013 0.000 0.927 656 V N 2.603 122.387 119.914 -0.216 0.000 2.811 656 V HA 0.056 4.176 4.120 -0.001 0.000 0.302 656 V C 1.772 177.678 176.094 -0.313 0.000 1.063 656 V CA 1.072 63.093 62.300 -0.465 0.000 1.088 656 V CB 0.753 31.890 31.823 -1.144 0.000 0.982 656 V HN 0.846 nan 8.190 nan 0.000 0.485 657 S N 3.336 118.872 115.700 -0.272 0.000 2.619 657 S HA 0.243 4.713 4.470 -0.001 0.000 0.238 657 S C 0.446 174.892 174.600 -0.256 0.000 1.068 657 S CA -0.323 57.797 58.200 -0.134 0.000 0.926 657 S CB 0.342 63.526 63.200 -0.027 0.000 0.864 657 S HN 0.850 nan 8.310 nan 0.000 0.493 658 R N -1.106 119.127 120.500 -0.445 0.000 2.535 658 R HA 0.475 4.814 4.340 -0.001 0.000 0.274 658 R C -0.863 175.122 176.300 -0.525 0.000 1.090 658 R CA -0.868 54.910 56.100 -0.536 0.000 0.930 658 R CB -0.110 29.832 30.300 -0.597 0.000 1.223 658 R HN 0.143 nan 8.270 nan 0.000 0.441 659 W N 1.563 122.765 121.300 -0.162 0.000 2.364 659 W HA -0.068 4.592 4.660 -0.000 0.000 0.281 659 W C 1.045 177.697 176.519 0.222 0.000 1.219 659 W CA 0.967 58.297 57.345 -0.024 0.000 1.220 659 W CB 0.198 29.521 29.460 -0.228 0.000 1.127 659 W HN 0.731 nan 8.180 nan 0.000 0.556 660 E N -1.168 119.230 120.200 0.330 0.000 2.338 660 E HA -0.178 4.171 4.350 -0.001 0.000 0.197 660 E C 1.308 178.059 176.600 0.251 0.000 1.007 660 E CA 0.886 57.429 56.400 0.238 0.000 0.849 660 E CB -0.344 29.381 29.700 0.042 0.000 0.774 660 E HN 0.349 nan 8.360 nan 0.000 0.506 661 Y N -1.327 119.068 120.300 0.158 0.000 2.517 661 Y HA 0.081 4.630 4.550 -0.001 0.000 0.281 661 Y C 0.691 176.684 175.900 0.156 0.000 1.125 661 Y CA -0.416 57.741 58.100 0.096 0.000 1.283 661 Y CB -0.428 38.032 38.460 -0.000 0.000 1.042 661 Y HN 0.031 nan 8.280 nan 0.000 0.547 662 Y N 1.901 122.344 120.300 0.238 0.000 2.340 662 Y HA 0.272 4.822 4.550 -0.001 0.000 0.327 662 Y C 0.253 176.363 175.900 0.350 0.000 1.321 662 Y CA -2.073 56.171 58.100 0.240 0.000 1.433 662 Y CB 0.325 38.952 38.460 0.277 0.000 1.373 662 Y HN 0.180 nan 8.280 nan 0.000 0.538 663 D N -0.491 119.589 120.400 -0.532 0.000 2.372 663 D HA 0.099 4.739 4.640 -0.001 0.000 0.243 663 D C 0.972 177.236 176.300 -0.060 0.000 1.121 663 D CA 0.344 54.139 54.000 -0.342 0.000 0.898 663 D CB 1.017 41.407 40.800 -0.683 0.000 1.202 663 D HN 0.493 nan 8.370 nan 0.000 0.428 664 S N 1.877 117.566 115.700 -0.018 0.000 2.365 664 S HA -0.304 4.165 4.470 -0.001 0.000 0.225 664 S C 2.020 176.646 174.600 0.042 0.000 1.039 664 S CA 1.321 59.560 58.200 0.065 0.000 1.033 664 S CB -1.055 62.190 63.200 0.075 0.000 0.887 664 S HN 0.698 nan 8.310 nan 0.000 0.447 665 V N -0.153 119.725 119.914 -0.060 0.000 2.453 665 V HA -0.007 4.112 4.120 -0.001 0.000 0.247 665 V C 2.017 178.029 176.094 -0.137 0.000 1.048 665 V CA 1.556 63.749 62.300 -0.178 0.000 1.049 665 V CB -0.932 30.566 31.823 -0.541 0.000 0.672 665 V HN 0.591 nan 8.190 nan 0.000 0.457 666 Y N 1.729 121.958 120.300 -0.119 0.000 2.153 666 Y HA -0.086 4.463 4.550 -0.001 0.000 0.289 666 Y C 2.660 178.545 175.900 -0.025 0.000 1.119 666 Y CA 2.543 60.642 58.100 -0.002 0.000 1.116 666 Y CB -0.533 38.109 38.460 0.303 0.000 1.004 666 Y HN 0.289 nan 8.280 nan 0.000 0.501 667 T N 0.586 115.383 114.554 0.403 0.000 2.607 667 T HA -0.244 4.106 4.350 -0.001 0.000 0.267 667 T C 1.502 176.177 174.700 -0.041 0.000 1.049 667 T CA 2.089 64.340 62.100 0.252 0.000 1.162 667 T CB -0.428 68.717 68.868 0.462 0.000 0.863 667 T HN 0.446 nan 8.240 nan 0.000 0.424 668 E N 0.428 120.639 120.200 0.018 0.000 2.265 668 E HA -0.100 4.250 4.350 -0.001 0.000 0.196 668 E C 2.319 178.812 176.600 -0.179 0.000 0.996 668 E CA 0.384 56.784 56.400 -0.000 0.000 0.832 668 E CB -0.126 29.618 29.700 0.073 0.000 0.756 668 E HN 0.335 nan 8.360 nan 0.000 0.491 669 R N 0.031 120.259 120.500 -0.453 0.000 2.120 669 R HA -0.158 4.182 4.340 -0.001 0.000 0.234 669 R C 0.978 176.740 176.300 -0.897 0.000 1.123 669 R CA 1.383 57.017 56.100 -0.777 0.000 0.975 669 R CB 0.108 29.599 30.300 -1.349 0.000 0.866 669 R HN 0.252 nan 8.270 nan 0.000 0.446 670 Y N -2.479 117.536 120.300 -0.475 0.000 2.444 670 Y HA 0.266 4.815 4.550 -0.001 0.000 0.252 670 Y C 1.410 177.128 175.900 -0.304 0.000 1.091 670 Y CA -0.146 57.668 58.100 -0.477 0.000 1.276 670 Y CB 0.663 38.709 38.460 -0.690 0.000 1.170 670 Y HN -0.070 nan 8.280 nan 0.000 0.517 671 M N -0.320 119.181 119.600 -0.165 0.000 2.300 671 M HA 0.379 4.858 4.480 -0.001 0.000 0.313 671 M C 1.036 177.373 176.300 0.061 0.000 0.988 671 M CA 0.600 55.806 55.300 -0.156 0.000 1.012 671 M CB -0.034 32.281 32.600 -0.475 0.000 1.586 671 M HN 0.323 nan 8.290 nan 0.000 0.562 672 G N 2.084 110.921 108.800 0.062 0.000 2.598 672 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.269 672 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.269 672 G C -0.597 174.435 174.900 0.220 0.000 1.289 672 G CA -0.650 44.519 45.100 0.115 0.000 0.926 672 G HN 0.274 nan 8.290 nan 0.000 0.567 673 L N 2.464 123.779 121.223 0.153 0.000 2.375 673 L HA 0.509 4.848 4.340 -0.001 0.000 0.271 673 L C -1.297 175.564 176.870 -0.016 0.000 1.107 673 L CA -1.766 53.120 54.840 0.077 0.000 0.806 673 L CB 1.188 43.261 42.059 0.022 0.000 1.146 673 L HN 0.416 nan 8.230 nan 0.000 0.447 674 P HA 0.120 nan 4.420 nan 0.000 0.218 674 P C -0.768 176.378 177.300 -0.256 0.000 1.793 674 P CA -0.202 62.492 63.100 -0.675 0.000 0.941 674 P CB -0.451 30.576 31.700 -1.122 0.000 1.919 675 T N -3.291 111.200 114.554 -0.105 0.000 2.908 675 T HA 0.478 4.827 4.350 -0.001 0.000 0.290 675 T C -2.251 172.443 174.700 -0.010 0.000 1.034 675 T CA -2.556 59.513 62.100 -0.051 0.000 1.010 675 T CB 1.850 70.699 68.868 -0.031 0.000 1.068 675 T HN -0.300 nan 8.240 nan 0.000 0.481 676 P HA -0.138 nan 4.420 nan 0.000 0.217 676 P C 1.395 178.707 177.300 0.019 0.000 1.148 676 P CA 0.992 64.099 63.100 0.012 0.000 0.828 676 P CB 0.103 31.807 31.700 0.007 0.000 0.783 677 E N -1.459 118.749 120.200 0.012 0.000 2.481 677 E HA -0.066 4.283 4.350 -0.001 0.000 0.195 677 E C 0.892 177.506 176.600 0.023 0.000 1.047 677 E CA 0.752 57.160 56.400 0.014 0.000 0.867 677 E CB -0.304 29.400 29.700 0.007 0.000 0.858 677 E HN 0.256 nan 8.360 nan 0.000 0.513 678 D N 0.977 121.396 120.400 0.032 0.000 3.012 678 D HA 0.025 4.665 4.640 -0.001 0.000 0.230 678 D C 0.317 176.666 176.300 0.082 0.000 1.477 678 D CA 0.083 54.114 54.000 0.051 0.000 1.329 678 D CB -0.030 40.801 40.800 0.052 0.000 0.951 678 D HN 0.040 nan 8.370 nan 0.000 0.224 679 N N -0.080 118.699 118.700 0.131 0.000 2.305 679 N HA 0.099 4.839 4.740 -0.001 0.000 0.248 679 N C 0.912 176.602 175.510 0.300 0.000 1.290 679 N CA -0.069 53.106 53.050 0.208 0.000 0.873 679 N CB 0.244 38.880 38.487 0.248 0.000 1.261 679 N HN 0.100 nan 8.380 nan 0.000 0.504 680 L N 0.437 121.760 121.223 0.167 0.000 2.043 680 L HA -0.108 4.231 4.340 -0.001 0.000 0.212 680 L C 1.223 178.198 176.870 0.175 0.000 1.075 680 L CA 1.971 56.888 54.840 0.127 0.000 0.752 680 L CB -0.352 41.718 42.059 0.020 0.000 0.891 680 L HN 0.119 nan 8.230 nan 0.000 0.432 681 D N -1.348 119.138 120.400 0.143 0.000 2.116 681 D HA -0.269 4.370 4.640 -0.001 0.000 0.193 681 D C 2.100 178.493 176.300 0.154 0.000 0.998 681 D CA 1.860 55.934 54.000 0.124 0.000 0.836 681 D CB -0.224 40.638 40.800 0.104 0.000 0.951 681 D HN 0.584 nan 8.370 nan 0.000 0.449 682 H N -0.996 118.140 119.070 0.110 0.000 2.423 682 H HA -0.075 4.480 4.556 -0.001 0.000 0.297 682 H C 1.777 177.171 175.328 0.108 0.000 1.075 682 H CA 1.281 57.374 56.048 0.075 0.000 1.342 682 H CB -0.329 29.443 29.762 0.016 0.000 1.395 682 H HN 0.166 nan 8.280 nan 0.000 0.530 683 Y N 0.498 120.800 120.300 0.004 0.000 2.114 683 Y HA -0.229 4.321 4.550 -0.001 0.000 0.282 683 Y C 2.419 178.284 175.900 -0.057 0.000 1.165 683 Y CA 1.744 59.847 58.100 0.005 0.000 1.148 683 Y CB 0.083 38.573 38.460 0.050 0.000 0.972 683 Y HN 0.155 nan 8.280 nan 0.000 0.504 684 R N -0.292 120.282 120.500 0.124 0.000 2.236 684 R HA -0.072 4.267 4.340 -0.001 0.000 0.208 684 R C 1.361 177.650 176.300 -0.019 0.000 1.036 684 R CA 0.655 56.778 56.100 0.039 0.000 1.001 684 R CB -0.598 29.726 30.300 0.041 0.000 0.896 684 R HN 0.473 nan 8.270 nan 0.000 0.464 685 N N 0.803 119.459 118.700 -0.073 0.000 2.353 685 N HA -0.039 4.701 4.740 -0.001 0.000 0.185 685 N C 0.113 175.533 175.510 -0.150 0.000 1.098 685 N CA 0.386 53.383 53.050 -0.089 0.000 0.872 685 N CB 0.452 38.915 38.487 -0.040 0.000 0.970 685 N HN 0.103 nan 8.380 nan 0.000 0.467 686 S N -0.480 115.093 115.700 -0.210 0.000 2.651 686 S HA 0.080 4.550 4.470 -0.001 0.000 0.246 686 S C 0.411 175.042 174.600 0.051 0.000 1.039 686 S CA -0.771 57.368 58.200 -0.102 0.000 1.013 686 S CB -0.025 63.060 63.200 -0.192 0.000 0.861 686 S HN 0.142 nan 8.310 nan 0.000 0.485 687 T N -1.433 113.112 114.554 -0.015 0.000 2.922 687 T HA 0.492 4.842 4.350 -0.001 0.000 0.285 687 T C 1.259 175.948 174.700 -0.019 0.000 1.005 687 T CA -0.153 61.929 62.100 -0.031 0.000 1.061 687 T CB 1.537 70.359 68.868 -0.077 0.000 1.007 687 T HN 0.395 nan 8.240 nan 0.000 0.502 688 V N 2.353 122.254 119.914 -0.022 0.000 2.719 688 V HA -0.021 4.099 4.120 -0.001 0.000 0.252 688 V C 2.140 178.214 176.094 -0.033 0.000 1.065 688 V CA 1.326 63.607 62.300 -0.032 0.000 1.086 688 V CB -1.079 30.720 31.823 -0.040 0.000 0.700 688 V HN 0.873 nan 8.190 nan 0.000 0.467 689 M N 2.089 121.654 119.600 -0.059 0.000 2.202 689 M HA -0.118 4.361 4.480 -0.001 0.000 0.262 689 M C 2.396 178.675 176.300 -0.035 0.000 1.063 689 M CA 2.306 57.566 55.300 -0.067 0.000 1.097 689 M CB -0.895 31.673 32.600 -0.052 0.000 1.382 689 M HN 0.722 nan 8.290 nan 0.000 0.413 690 S N -0.311 115.376 115.700 -0.021 0.000 2.474 690 S HA -0.079 4.390 4.470 -0.001 0.000 0.235 690 S C 1.800 176.406 174.600 0.010 0.000 0.997 690 S CA 0.692 58.887 58.200 -0.008 0.000 0.949 690 S CB -0.439 62.754 63.200 -0.013 0.000 0.766 690 S HN 0.531 nan 8.310 nan 0.000 0.517 691 R N 0.667 121.187 120.500 0.033 0.000 2.359 691 R HA 0.445 4.784 4.340 -0.001 0.000 0.231 691 R C 2.247 178.652 176.300 0.174 0.000 0.913 691 R CA 0.419 56.559 56.100 0.067 0.000 1.075 691 R CB -0.332 29.990 30.300 0.037 0.000 1.087 691 R HN 0.479 nan 8.270 nan 0.000 0.515 692 A N 1.782 124.671 122.820 0.115 0.000 1.915 692 A HA -0.328 3.991 4.320 -0.001 0.000 0.220 692 A C 2.063 179.755 177.584 0.180 0.000 1.198 692 A CA 2.126 54.219 52.037 0.092 0.000 0.647 692 A CB -0.365 18.607 19.000 -0.046 0.000 0.825 692 A HN 0.325 nan 8.150 nan 0.000 0.456 693 E N 0.395 120.658 120.200 0.105 0.000 2.118 693 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 693 E C 1.635 178.292 176.600 0.094 0.000 0.992 693 E CA 1.671 58.123 56.400 0.086 0.000 0.804 693 E CB -0.271 29.459 29.700 0.049 0.000 0.741 693 E HN 0.596 nan 8.360 nan 0.000 0.458 694 N N -0.433 118.308 118.700 0.069 0.000 2.520 694 N HA -0.119 4.620 4.740 -0.001 0.000 0.185 694 N C 0.868 176.349 175.510 -0.048 0.000 1.068 694 N CA 0.564 53.605 53.050 -0.016 0.000 0.911 694 N CB -0.254 38.173 38.487 -0.101 0.000 0.961 694 N HN 0.235 nan 8.380 nan 0.000 0.446 695 F N 1.287 121.197 119.950 -0.066 0.000 2.546 695 F HA 0.025 4.552 4.527 -0.001 0.000 0.298 695 F C 1.939 177.746 175.800 0.012 0.000 1.120 695 F CA 0.611 58.569 58.000 -0.071 0.000 1.456 695 F CB 0.045 38.961 39.000 -0.140 0.000 1.088 695 F HN -0.057 nan 8.300 nan 0.000 0.572 696 K N -0.093 120.408 120.400 0.168 0.000 2.360 696 K HA -0.183 4.136 4.320 -0.001 0.000 0.201 696 K C 1.621 178.280 176.600 0.099 0.000 1.046 696 K CA 1.054 57.419 56.287 0.131 0.000 0.945 696 K CB -0.148 32.408 32.500 0.094 0.000 0.750 696 K HN 0.416 nan 8.250 nan 0.000 0.464 697 Q N 0.030 119.867 119.800 0.062 0.000 2.424 697 Q HA 0.020 4.359 4.340 -0.001 0.000 0.204 697 Q C 0.377 176.418 176.000 0.068 0.000 0.933 697 Q CA 0.163 55.994 55.803 0.047 0.000 0.929 697 Q CB 0.664 29.408 28.738 0.010 0.000 1.037 697 Q HN 0.137 nan 8.270 nan 0.000 0.511 698 V N -3.197 116.774 119.914 0.094 0.000 3.141 698 V HA 0.489 4.608 4.120 -0.001 0.000 0.312 698 V C -1.191 175.046 176.094 0.238 0.000 1.157 698 V CA -1.299 61.086 62.300 0.140 0.000 1.041 698 V CB 2.257 34.134 31.823 0.091 0.000 1.071 698 V HN -0.080 nan 8.190 nan 0.000 0.441 699 E N 1.129 121.502 120.200 0.288 0.000 2.134 699 E HA 0.486 4.835 4.350 -0.001 0.000 0.278 699 E C -1.899 175.082 176.600 0.635 0.000 0.959 699 E CA -0.358 56.284 56.400 0.403 0.000 0.783 699 E CB 1.658 31.516 29.700 0.263 0.000 1.095 699 E HN 0.661 nan 8.360 nan 0.000 0.399 700 Y N 3.466 124.038 120.300 0.453 0.000 2.409 700 Y HA 0.480 5.029 4.550 -0.001 0.000 0.343 700 Y C -1.665 174.305 175.900 0.116 0.000 0.973 700 Y CA -1.562 56.734 58.100 0.326 0.000 1.064 700 Y CB 1.104 39.780 38.460 0.360 0.000 1.207 700 Y HN 0.414 nan 8.280 nan 0.000 0.452 701 L N 7.683 128.589 121.223 -0.528 0.000 2.343 701 L HA 0.590 4.930 4.340 -0.001 0.000 0.278 701 L C -2.232 174.185 176.870 -0.756 0.000 0.996 701 L CA -0.781 53.609 54.840 -0.751 0.000 0.831 701 L CB 1.283 42.547 42.059 -1.325 0.000 1.232 701 L HN 0.616 nan 8.230 nan 0.000 0.413 702 L N 6.688 127.550 121.223 -0.603 0.000 2.287 702 L HA 0.691 5.030 4.340 -0.001 0.000 0.287 702 L C -1.087 175.656 176.870 -0.213 0.000 1.022 702 L CA -0.006 54.528 54.840 -0.509 0.000 0.814 702 L CB 1.102 42.874 42.059 -0.479 0.000 1.217 702 L HN 0.594 nan 8.230 nan 0.000 0.420 703 I N 4.555 125.018 120.570 -0.177 0.000 2.582 703 I HA 0.460 4.630 4.170 -0.001 0.000 0.292 703 I C -1.176 174.940 176.117 -0.002 0.000 1.066 703 I CA -0.696 60.561 61.300 -0.071 0.000 1.053 703 I CB 2.046 39.967 38.000 -0.131 0.000 1.241 703 I HN 0.671 nan 8.210 nan 0.000 0.421 704 H N 2.342 121.477 119.070 0.108 0.000 3.086 704 H HA 0.489 5.045 4.556 -0.001 0.000 0.353 704 H C -0.393 175.180 175.328 0.408 0.000 1.134 704 H CA -0.581 55.588 56.048 0.201 0.000 1.248 704 H CB 1.979 31.821 29.762 0.133 0.000 1.878 704 H HN 0.744 nan 8.280 nan 0.000 0.527 705 G N 0.964 110.113 108.800 0.581 0.000 2.390 705 G HA2 0.220 4.179 3.960 -0.001 0.000 0.270 705 G HA3 0.220 4.179 3.960 -0.001 0.000 0.270 705 G C 1.121 176.308 174.900 0.480 0.000 1.211 705 G CA 0.121 45.525 45.100 0.506 0.000 0.842 705 G HN 0.750 nan 8.290 nan 0.000 0.519 706 T N -0.760 113.919 114.554 0.208 0.000 3.035 706 T HA 0.101 4.450 4.350 -0.001 0.000 0.268 706 T C 1.641 176.333 174.700 -0.013 0.000 1.109 706 T CA 1.208 63.237 62.100 -0.118 0.000 1.119 706 T CB 0.183 68.898 68.868 -0.255 0.000 0.900 706 T HN 0.685 nan 8.240 nan 0.000 0.503 707 A N 1.122 124.015 122.820 0.122 0.000 2.708 707 A HA 0.320 4.639 4.320 -0.001 0.000 0.293 707 A C 0.334 177.906 177.584 -0.020 0.000 1.303 707 A CA -0.536 51.560 52.037 0.099 0.000 0.949 707 A CB -0.308 19.006 19.000 0.524 0.000 1.121 707 A HN 0.373 nan 8.150 nan 0.000 0.542 708 D N 1.501 121.906 120.400 0.009 0.000 2.346 708 D HA -0.004 4.636 4.640 -0.001 0.000 0.260 708 D C 0.343 176.609 176.300 -0.057 0.000 1.252 708 D CA 0.157 54.256 54.000 0.164 0.000 0.895 708 D CB 0.721 41.783 40.800 0.436 0.000 1.097 708 D HN 0.580 nan 8.370 nan 0.000 0.489 709 D N 2.076 122.501 120.400 0.040 0.000 2.348 709 D HA -0.088 4.551 4.640 -0.001 0.000 0.211 709 D C 0.983 177.235 176.300 -0.079 0.000 0.998 709 D CA 0.039 53.986 54.000 -0.088 0.000 0.873 709 D CB 0.337 41.035 40.800 -0.169 0.000 0.925 709 D HN 0.415 nan 8.370 nan 0.000 0.524 710 N N 0.261 119.022 118.700 0.102 0.000 2.433 710 N HA -0.058 4.682 4.740 -0.001 0.000 0.213 710 N C 0.261 175.722 175.510 -0.081 0.000 1.032 710 N CA 0.166 53.308 53.050 0.154 0.000 1.047 710 N CB 0.817 39.396 38.487 0.154 0.000 1.293 710 N HN -0.041 nan 8.380 nan 0.000 0.524 711 V N 2.382 122.226 119.914 -0.117 0.000 2.334 711 V HA 0.289 4.408 4.120 -0.001 0.000 0.267 711 V C -1.074 175.079 176.094 0.097 0.000 1.040 711 V CA -0.619 61.657 62.300 -0.039 0.000 0.866 711 V CB -0.233 31.572 31.823 -0.030 0.000 1.019 711 V HN 0.330 nan 8.190 nan 0.000 0.468 712 H N 5.016 124.068 119.070 -0.031 0.000 2.897 712 H HA 0.052 4.608 4.556 -0.001 0.000 0.347 712 H C 0.576 175.762 175.328 -0.236 0.000 1.068 712 H CA 0.711 56.665 56.048 -0.157 0.000 1.426 712 H CB 0.660 30.240 29.762 -0.302 0.000 1.410 712 H HN 0.795 nan 8.280 nan 0.000 0.597 713 F N 2.137 121.881 119.950 -0.344 0.000 2.184 713 F HA -0.311 4.215 4.527 -0.001 0.000 0.301 713 F C 2.550 178.052 175.800 -0.497 0.000 1.076 713 F CA 1.780 59.343 58.000 -0.728 0.000 1.295 713 F CB -0.213 38.575 39.000 -0.353 0.000 1.026 713 F HN 0.667 nan 8.300 nan 0.000 0.494 714 Q N 0.239 119.889 119.800 -0.251 0.000 2.118 714 Q HA -0.338 4.001 4.340 -0.001 0.000 0.211 714 Q C 2.142 177.879 176.000 -0.438 0.000 0.998 714 Q CA 2.560 58.162 55.803 -0.334 0.000 0.872 714 Q CB -0.385 28.138 28.738 -0.358 0.000 0.925 714 Q HN 0.604 nan 8.270 nan 0.000 0.414 715 Q N -0.364 119.227 119.800 -0.350 0.000 2.077 715 Q HA -0.150 4.189 4.340 -0.001 0.000 0.206 715 Q C 2.312 178.189 176.000 -0.206 0.000 0.989 715 Q CA 1.817 57.529 55.803 -0.151 0.000 0.853 715 Q CB -0.216 28.516 28.738 -0.010 0.000 0.907 715 Q HN 0.330 nan 8.270 nan 0.000 0.418 716 S N 0.611 116.076 115.700 -0.392 0.000 2.387 716 S HA -0.039 4.430 4.470 -0.001 0.000 0.226 716 S C 2.052 176.364 174.600 -0.479 0.000 1.026 716 S CA 0.765 58.730 58.200 -0.392 0.000 0.972 716 S CB -0.161 62.791 63.200 -0.413 0.000 0.814 716 S HN 0.486 nan 8.310 nan 0.000 0.477 717 A N 1.244 123.665 122.820 -0.665 0.000 1.978 717 A HA -0.152 4.168 4.320 -0.001 0.000 0.220 717 A C 2.111 179.564 177.584 -0.219 0.000 1.170 717 A CA 1.209 52.993 52.037 -0.422 0.000 0.636 717 A CB -0.372 18.435 19.000 -0.322 0.000 0.810 717 A HN 0.397 nan 8.150 nan 0.000 0.448 718 Q N -0.702 118.982 119.800 -0.194 0.000 2.212 718 Q HA 0.068 4.407 4.340 -0.001 0.000 0.199 718 Q C 2.119 178.057 176.000 -0.104 0.000 0.950 718 Q CA 0.802 56.553 55.803 -0.086 0.000 0.863 718 Q CB -0.232 28.530 28.738 0.040 0.000 0.944 718 Q HN 0.771 nan 8.270 nan 0.000 0.465 719 I N 1.340 121.819 120.570 -0.151 0.000 2.179 719 I HA -0.289 3.880 4.170 -0.001 0.000 0.242 719 I C 2.586 178.524 176.117 -0.298 0.000 1.088 719 I CA 1.537 62.705 61.300 -0.220 0.000 1.357 719 I CB -0.380 37.492 38.000 -0.214 0.000 1.051 719 I HN 0.188 nan 8.210 nan 0.000 0.409 720 S N 0.858 116.401 115.700 -0.262 0.000 2.368 720 S HA -0.275 4.195 4.470 -0.001 0.000 0.225 720 S C 2.048 176.609 174.600 -0.065 0.000 1.030 720 S CA 1.430 59.503 58.200 -0.211 0.000 0.999 720 S CB -0.444 62.767 63.200 0.018 0.000 0.844 720 S HN 0.376 nan 8.310 nan 0.000 0.459 721 K N 1.616 121.982 120.400 -0.056 0.000 2.097 721 K HA 0.037 4.357 4.320 -0.001 0.000 0.206 721 K C 2.222 178.803 176.600 -0.032 0.000 1.049 721 K CA 1.117 57.393 56.287 -0.018 0.000 0.933 721 K CB -0.630 31.856 32.500 -0.023 0.000 0.717 721 K HN 0.470 nan 8.250 nan 0.000 0.442 722 A N 0.949 123.720 122.820 -0.083 0.000 1.898 722 A HA -0.067 4.253 4.320 -0.001 0.000 0.216 722 A C 2.059 179.583 177.584 -0.099 0.000 1.181 722 A CA 1.109 53.094 52.037 -0.087 0.000 0.620 722 A CB -0.507 18.423 19.000 -0.118 0.000 0.819 722 A HN 0.297 nan 8.150 nan 0.000 0.442 723 L N -0.615 120.500 121.223 -0.180 0.000 2.056 723 L HA -0.143 4.196 4.340 -0.001 0.000 0.207 723 L C 2.511 179.420 176.870 0.064 0.000 1.078 723 L CA 0.992 55.743 54.840 -0.149 0.000 0.749 723 L CB -0.625 41.173 42.059 -0.435 0.000 0.901 723 L HN 0.224 nan 8.230 nan 0.000 0.433 724 V N -0.129 119.859 119.914 0.123 0.000 2.332 724 V HA -0.299 3.820 4.120 -0.001 0.000 0.248 724 V C 2.026 178.163 176.094 0.072 0.000 1.055 724 V CA 1.894 64.278 62.300 0.140 0.000 1.038 724 V CB -0.526 31.375 31.823 0.130 0.000 0.651 724 V HN 0.438 nan 8.190 nan 0.000 0.450 725 D N 0.142 120.565 120.400 0.038 0.000 2.263 725 D HA -0.094 4.545 4.640 -0.001 0.000 0.208 725 D C 1.708 178.025 176.300 0.028 0.000 0.971 725 D CA 1.623 55.639 54.000 0.026 0.000 0.867 725 D CB -0.004 40.803 40.800 0.011 0.000 0.929 725 D HN 0.569 nan 8.370 nan 0.000 0.492 726 V N -3.961 115.972 119.914 0.033 0.000 3.376 726 V HA 0.524 4.644 4.120 -0.001 0.000 0.313 726 V C 1.188 177.317 176.094 0.057 0.000 1.393 726 V CA 0.247 62.570 62.300 0.039 0.000 1.125 726 V CB 0.035 31.880 31.823 0.036 0.000 1.037 726 V HN 0.122 nan 8.190 nan 0.000 0.440 727 G N 0.523 109.364 108.800 0.069 0.000 2.198 727 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.257 727 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.257 727 G C 0.022 174.986 174.900 0.108 0.000 1.042 727 G CA 0.438 45.586 45.100 0.079 0.000 0.791 727 G HN 1.673 nan 8.290 nan 0.000 0.502 728 V N -0.602 119.400 119.914 0.146 0.000 2.439 728 V HA 0.717 4.837 4.120 -0.001 0.000 0.282 728 V C 0.100 176.374 176.094 0.300 0.000 1.039 728 V CA -0.436 61.983 62.300 0.200 0.000 0.913 728 V CB 1.775 33.721 31.823 0.203 0.000 0.983 728 V HN 0.331 nan 8.190 nan 0.000 0.460 729 D N 5.279 125.824 120.400 0.241 0.000 2.210 729 D HA 0.639 5.279 4.640 -0.001 0.000 0.249 729 D C -0.592 175.903 176.300 0.324 0.000 1.062 729 D CA 0.061 54.168 54.000 0.179 0.000 0.891 729 D CB 1.029 41.877 40.800 0.079 0.000 1.186 729 D HN 0.627 nan 8.370 nan 0.000 0.432 730 F N -0.166 119.857 119.950 0.122 0.000 2.741 730 F HA 0.476 5.003 4.527 -0.000 0.000 0.313 730 F C -1.435 174.414 175.800 0.081 0.000 1.153 730 F CA -1.150 56.942 58.000 0.154 0.000 0.931 730 F CB 0.861 39.980 39.000 0.198 0.000 1.335 730 F HN 0.075 nan 8.300 nan 0.000 0.460 731 Q N 1.420 121.324 119.800 0.174 0.000 2.235 731 Q HA 0.804 5.143 4.340 -0.001 0.000 0.256 731 Q C -0.830 175.197 176.000 0.046 0.000 0.951 731 Q CA -0.793 55.021 55.803 0.019 0.000 0.890 731 Q CB 2.117 30.884 28.738 0.047 0.000 1.279 731 Q HN 1.022 nan 8.270 nan 0.000 0.444 732 A N 1.853 124.673 122.820 -0.001 0.000 2.556 732 A HA 0.852 5.171 4.320 -0.001 0.000 0.294 732 A C -1.325 176.218 177.584 -0.067 0.000 1.091 732 A CA -0.595 51.461 52.037 0.032 0.000 0.704 732 A CB 1.979 21.077 19.000 0.164 0.000 1.300 732 A HN 0.619 nan 8.150 nan 0.000 0.406 733 M N 1.404 120.940 119.600 -0.106 0.000 2.265 733 M HA 0.533 5.013 4.480 -0.001 0.000 0.262 733 M C -1.828 174.332 176.300 -0.233 0.000 1.026 733 M CA -0.577 54.499 55.300 -0.372 0.000 0.987 733 M CB 0.960 33.255 32.600 -0.509 0.000 1.937 733 M HN 0.933 nan 8.290 nan 0.000 0.481 734 W N 4.275 125.443 121.300 -0.220 0.000 2.359 734 W HA 0.750 5.409 4.660 -0.002 0.000 0.344 734 W C -1.844 174.429 176.519 -0.410 0.000 1.170 734 W CA -0.669 56.623 57.345 -0.089 0.000 1.296 734 W CB 0.274 29.716 29.460 -0.031 0.000 1.197 734 W HN 0.615 nan 8.180 nan 0.000 0.618 735 Y N 2.177 122.602 120.300 0.208 0.000 2.447 735 Y HA 0.273 4.823 4.550 -0.000 0.000 0.325 735 Y C 0.452 176.459 175.900 0.178 0.000 0.976 735 Y CA -1.187 56.954 58.100 0.069 0.000 1.280 735 Y CB 1.049 39.530 38.460 0.034 0.000 1.104 735 Y HN 0.426 nan 8.280 nan 0.000 0.486 736 T N 4.612 119.336 114.554 0.283 0.000 2.800 736 T HA -0.061 4.289 4.350 -0.001 0.000 0.283 736 T C 0.277 175.050 174.700 0.122 0.000 0.999 736 T CA 0.880 63.087 62.100 0.178 0.000 1.176 736 T CB -0.157 68.758 68.868 0.080 0.000 0.973 736 T HN 0.704 nan 8.240 nan 0.000 0.519 737 D N 0.711 121.162 120.400 0.084 0.000 3.059 737 D HA -0.128 4.512 4.640 -0.001 0.000 0.213 737 D C 0.334 176.767 176.300 0.223 0.000 1.144 737 D CA 1.178 55.177 54.000 -0.003 0.000 0.975 737 D CB -0.368 40.225 40.800 -0.346 0.000 1.125 737 D HN 0.568 nan 8.370 nan 0.000 0.412 738 E N 1.000 121.348 120.200 0.247 0.000 2.343 738 E HA 0.298 4.647 4.350 -0.001 0.000 0.269 738 E C 0.763 177.553 176.600 0.316 0.000 1.047 738 E CA -0.190 56.374 56.400 0.274 0.000 0.874 738 E CB 1.073 30.923 29.700 0.251 0.000 1.033 738 E HN 0.368 nan 8.360 nan 0.000 0.409 739 D N -0.257 120.341 120.400 0.330 0.000 2.530 739 D HA -0.006 4.633 4.640 -0.001 0.000 0.282 739 D C 1.095 177.635 176.300 0.399 0.000 1.204 739 D CA -0.201 54.020 54.000 0.368 0.000 1.093 739 D CB -0.167 40.876 40.800 0.405 0.000 1.154 739 D HN 0.387 nan 8.370 nan 0.000 0.593 740 H N -1.486 117.775 119.070 0.318 0.000 2.457 740 H HA 0.042 4.598 4.556 -0.001 0.000 0.297 740 H C 1.870 177.456 175.328 0.430 0.000 1.092 740 H CA 2.221 58.479 56.048 0.349 0.000 1.309 740 H CB -0.407 29.550 29.762 0.325 0.000 1.382 740 H HN 0.509 nan 8.280 nan 0.000 0.535 741 G N -0.506 108.468 108.800 0.290 0.000 2.777 741 G HA2 0.040 4.000 3.960 -0.001 0.000 0.211 741 G HA3 0.040 4.000 3.960 -0.001 0.000 0.211 741 G C 0.599 175.675 174.900 0.294 0.000 1.149 741 G CA 0.245 45.434 45.100 0.148 0.000 0.785 741 G HN 0.504 nan 8.290 nan 0.000 0.536 742 I N 0.089 120.859 120.570 0.334 0.000 5.115 742 I HA -0.327 3.842 4.170 -0.001 0.000 0.126 742 I C 1.471 177.719 176.117 0.218 0.000 1.316 742 I CA 0.202 61.645 61.300 0.238 0.000 2.641 742 I CB -1.175 36.937 38.000 0.188 0.000 2.272 742 I HN 0.261 nan 8.210 nan 0.000 0.321 743 A N 0.688 123.616 122.820 0.181 0.000 2.430 743 A HA 0.336 4.655 4.320 -0.001 0.000 0.243 743 A C 1.052 178.698 177.584 0.104 0.000 1.254 743 A CA 0.034 52.154 52.037 0.138 0.000 0.914 743 A CB 0.265 19.313 19.000 0.081 0.000 0.998 743 A HN 0.411 nan 8.150 nan 0.000 0.515 744 S N 0.252 116.021 115.700 0.116 0.000 2.563 744 S HA 0.100 4.569 4.470 -0.001 0.000 0.284 744 S C 1.604 176.259 174.600 0.092 0.000 1.331 744 S CA 0.473 58.731 58.200 0.097 0.000 1.047 744 S CB 1.251 64.512 63.200 0.102 0.000 0.859 744 S HN 0.610 nan 8.310 nan 0.000 0.514 745 S N 2.446 118.183 115.700 0.062 0.000 2.365 745 S HA -0.200 4.270 4.470 -0.001 0.000 0.225 745 S C 2.166 176.822 174.600 0.093 0.000 1.039 745 S CA 2.279 60.511 58.200 0.054 0.000 1.033 745 S CB -0.870 62.345 63.200 0.025 0.000 0.887 745 S HN 0.946 nan 8.310 nan 0.000 0.447 746 T N -0.659 113.942 114.554 0.079 0.000 2.904 746 T HA 0.260 4.609 4.350 -0.001 0.000 0.267 746 T C 1.952 176.710 174.700 0.097 0.000 1.059 746 T CA 1.156 63.306 62.100 0.083 0.000 1.137 746 T CB -0.760 68.147 68.868 0.065 0.000 0.879 746 T HN 0.477 nan 8.240 nan 0.000 0.467 747 A N 1.381 124.242 122.820 0.069 0.000 1.897 747 A HA -0.015 4.305 4.320 -0.001 0.000 0.215 747 A C 2.164 179.717 177.584 -0.053 0.000 1.181 747 A CA 1.767 53.785 52.037 -0.032 0.000 0.620 747 A CB -1.193 17.754 19.000 -0.087 0.000 0.821 747 A HN 0.761 nan 8.150 nan 0.000 0.443 748 H N -0.128 118.934 119.070 -0.012 0.000 2.319 748 H HA -0.159 4.397 4.556 -0.001 0.000 0.299 748 H C 2.097 177.497 175.328 0.120 0.000 1.092 748 H CA 2.352 58.448 56.048 0.080 0.000 1.302 748 H CB -0.149 29.663 29.762 0.083 0.000 1.373 748 H HN 0.566 nan 8.280 nan 0.000 0.497 749 Q N -0.935 118.912 119.800 0.078 0.000 2.119 749 Q HA -0.181 4.158 4.340 -0.001 0.000 0.201 749 Q C 2.213 178.212 176.000 -0.002 0.000 0.972 749 Q CA 1.266 57.072 55.803 0.005 0.000 0.847 749 Q CB -0.169 28.599 28.738 0.050 0.000 0.903 749 Q HN 0.642 nan 8.270 nan 0.000 0.433 750 H N 0.762 119.810 119.070 -0.036 0.000 2.357 750 H HA -0.080 4.475 4.556 -0.001 0.000 0.301 750 H C 2.031 177.344 175.328 -0.024 0.000 1.082 750 H CA 1.328 57.378 56.048 0.004 0.000 1.342 750 H CB 0.005 29.820 29.762 0.088 0.000 1.389 750 H HN 0.278 nan 8.280 nan 0.000 0.511 751 I N 0.127 120.663 120.570 -0.057 0.000 2.202 751 I HA -0.321 3.849 4.170 -0.001 0.000 0.242 751 I C 1.797 177.660 176.117 -0.423 0.000 1.091 751 I CA 1.236 62.407 61.300 -0.215 0.000 1.368 751 I CB -0.291 37.412 38.000 -0.496 0.000 1.058 751 I HN 0.163 nan 8.210 nan 0.000 0.410 752 Y N 0.795 120.854 120.300 -0.400 0.000 2.274 752 Y HA -0.226 4.324 4.550 -0.001 0.000 0.290 752 Y C 2.695 178.353 175.900 -0.404 0.000 1.145 752 Y CA 1.847 59.596 58.100 -0.584 0.000 1.203 752 Y CB -0.685 37.455 38.460 -0.534 0.000 0.984 752 Y HN 0.157 nan 8.280 nan 0.000 0.533 753 T N -1.656 112.794 114.554 -0.174 0.000 2.737 753 T HA -0.233 4.117 4.350 -0.001 0.000 0.265 753 T C 1.540 176.069 174.700 -0.286 0.000 1.038 753 T CA 1.867 63.823 62.100 -0.241 0.000 1.144 753 T CB -0.425 68.315 68.868 -0.214 0.000 0.866 753 T HN 0.419 nan 8.240 nan 0.000 0.434 754 H N 0.724 119.631 119.070 -0.271 0.000 2.357 754 H HA 0.134 4.689 4.556 -0.001 0.000 0.301 754 H C 2.168 177.451 175.328 -0.075 0.000 1.082 754 H CA 1.505 57.478 56.048 -0.124 0.000 1.342 754 H CB -0.221 29.464 29.762 -0.129 0.000 1.389 754 H HN 0.254 nan 8.280 nan 0.000 0.511 755 M N -0.829 118.668 119.600 -0.172 0.000 2.175 755 M HA -0.151 4.329 4.480 -0.001 0.000 0.264 755 M C 2.384 178.748 176.300 0.107 0.000 1.063 755 M CA 1.440 56.627 55.300 -0.190 0.000 1.119 755 M CB 0.027 32.236 32.600 -0.652 0.000 1.377 755 M HN 0.201 nan 8.290 nan 0.000 0.415 756 S N -0.464 115.320 115.700 0.140 0.000 2.368 756 S HA -0.179 4.290 4.470 -0.001 0.000 0.225 756 S C 1.574 176.269 174.600 0.158 0.000 1.030 756 S CA 1.378 59.788 58.200 0.349 0.000 0.999 756 S CB -0.661 62.745 63.200 0.344 0.000 0.844 756 S HN 0.566 nan 8.310 nan 0.000 0.459 757 H N -0.565 118.560 119.070 0.092 0.000 2.353 757 H HA -0.060 4.495 4.556 -0.001 0.000 0.300 757 H C 1.944 177.268 175.328 -0.007 0.000 1.090 757 H CA 1.591 57.650 56.048 0.018 0.000 1.327 757 H CB -0.217 29.512 29.762 -0.055 0.000 1.383 757 H HN 0.373 nan 8.280 nan 0.000 0.508 758 F N 1.054 120.984 119.950 -0.034 0.000 2.095 758 F HA -0.224 4.303 4.527 -0.001 0.000 0.298 758 F C 2.096 177.846 175.800 -0.084 0.000 1.104 758 F CA 1.090 59.038 58.000 -0.086 0.000 1.232 758 F CB -0.180 38.740 39.000 -0.133 0.000 0.987 758 F HN 0.068 nan 8.300 nan 0.000 0.475 759 I N 0.511 121.089 120.570 0.012 0.000 2.252 759 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 759 I C 2.258 178.173 176.117 -0.336 0.000 1.102 759 I CA 1.472 62.614 61.300 -0.264 0.000 1.385 759 I CB -1.119 36.817 38.000 -0.108 0.000 1.064 759 I HN 0.218 nan 8.210 nan 0.000 0.414 760 K N 0.387 120.741 120.400 -0.077 0.000 2.026 760 K HA -0.263 4.056 4.320 -0.001 0.000 0.208 760 K C 2.034 178.618 176.600 -0.026 0.000 1.048 760 K CA 1.716 58.010 56.287 0.012 0.000 0.929 760 K CB -0.233 32.328 32.500 0.103 0.000 0.713 760 K HN 0.282 nan 8.250 nan 0.000 0.439 761 Q N 1.271 121.019 119.800 -0.086 0.000 2.030 761 Q HA -0.239 4.100 4.340 -0.001 0.000 0.204 761 Q C 2.237 178.138 176.000 -0.164 0.000 0.986 761 Q CA 2.291 58.023 55.803 -0.119 0.000 0.843 761 Q CB -0.987 27.652 28.738 -0.165 0.000 0.904 761 Q HN 0.389 nan 8.270 nan 0.000 0.420 762 c N -0.379 118.010 118.600 -0.351 0.000 2.403 762 c HA -0.082 4.488 4.570 -0.001 0.000 0.277 762 c C 1.897 176.003 174.090 0.028 0.000 1.248 762 c CA 0.697 56.842 56.329 -0.307 0.000 1.762 762 c CB -1.405 40.761 42.510 -0.573 0.000 2.014 762 c HN 0.668 nan 8.230 nan 0.000 0.486 763 F N 1.615 121.528 119.950 -0.061 0.000 2.693 763 F HA 0.256 4.783 4.527 -0.001 0.000 0.303 763 F C 1.604 177.392 175.800 -0.020 0.000 1.097 763 F CA 0.344 58.330 58.000 -0.023 0.000 1.330 763 F CB -1.184 37.812 39.000 -0.006 0.000 1.067 763 F HN 0.254 nan 8.300 nan 0.000 0.565 764 S N 0.886 116.671 115.700 0.142 0.000 3.682 764 S HA -0.207 4.263 4.470 -0.001 0.000 0.354 764 S C -0.049 174.599 174.600 0.081 0.000 1.034 764 S CA 0.108 58.356 58.200 0.079 0.000 1.084 764 S CB -2.229 61.005 63.200 0.056 0.000 0.903 764 S HN 0.241 nan 8.310 nan 0.000 0.470 765 L N 0.887 122.169 121.223 0.099 0.000 2.295 765 L HA 0.497 4.836 4.340 -0.001 0.000 0.285 765 L C -1.465 175.449 176.870 0.073 0.000 1.035 765 L CA -2.254 52.640 54.840 0.089 0.000 0.806 765 L CB 0.536 42.665 42.059 0.116 0.000 1.214 765 L HN 0.016 nan 8.230 nan 0.000 0.426 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.134 63.100 0.056 0.000 0.800 766 P CB 0.000 31.729 31.700 0.047 0.000 0.726