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 2hr0_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MXXXTFTIPA NRXFKSEKGR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVQ NLRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQPAA 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.560 174.600 -0.067 0.000 1.055 1 S CA 0.000 58.183 58.200 -0.029 0.000 1.107 1 S CB 0.000 63.183 63.200 -0.029 0.000 0.593 2 P HA 0.619 nan 4.420 nan 0.000 0.282 2 P C -1.014 176.069 177.300 -0.361 0.000 1.287 2 P CA -0.756 62.183 63.100 -0.269 0.000 0.792 2 P CB 0.659 32.153 31.700 -0.344 0.000 1.163 3 M N -0.014 119.221 119.600 -0.608 0.000 2.365 3 M HA 0.306 4.786 4.480 0.000 0.000 0.287 3 M C -2.010 173.893 176.300 -0.663 0.000 1.154 3 M CA -0.440 54.593 55.300 -0.445 0.000 0.941 3 M CB 2.000 34.544 32.600 -0.093 0.000 1.704 3 M HN 0.357 nan 8.290 nan 0.000 0.479 4 Y N 1.043 121.263 120.300 -0.133 0.000 2.361 4 Y HA 0.562 5.112 4.550 0.000 0.000 0.337 4 Y C 0.253 175.995 175.900 -0.263 0.000 0.965 4 Y CA -0.820 57.033 58.100 -0.411 0.000 1.091 4 Y CB 1.976 39.968 38.460 -0.781 0.000 1.182 4 Y HN 0.577 nan 8.280 nan 0.000 0.450 5 S N 3.237 118.860 115.700 -0.128 0.000 2.473 5 S HA 0.743 5.214 4.470 0.000 0.000 0.307 5 S C -1.105 173.451 174.600 -0.074 0.000 1.094 5 S CA -0.666 57.429 58.200 -0.176 0.000 1.070 5 S CB 1.539 64.664 63.200 -0.126 0.000 1.019 5 S HN 0.658 nan 8.310 nan 0.000 0.480 6 I N 3.365 123.848 120.570 -0.146 0.000 2.382 6 I HA 0.627 4.797 4.170 0.000 0.000 0.286 6 I C -1.550 174.468 176.117 -0.165 0.000 1.002 6 I CA -1.021 60.255 61.300 -0.039 0.000 1.135 6 I CB 0.707 38.729 38.000 0.036 0.000 1.288 6 I HN 0.788 nan 8.210 nan 0.000 0.448 7 I N 6.856 127.398 120.570 -0.046 0.000 2.418 7 I HA 0.513 4.683 4.170 0.000 0.000 0.287 7 I C -0.270 175.890 176.117 0.072 0.000 1.008 7 I CA -0.353 60.951 61.300 0.006 0.000 1.104 7 I CB 2.000 40.084 38.000 0.140 0.000 1.264 7 I HN 0.602 nan 8.210 nan 0.000 0.438 8 T N 6.045 120.641 114.554 0.070 0.000 2.923 8 T HA 0.537 4.888 4.350 0.000 0.000 0.311 8 T C -2.853 171.897 174.700 0.083 0.000 1.183 8 T CA -2.032 60.111 62.100 0.072 0.000 1.020 8 T CB 2.132 71.033 68.868 0.056 0.000 1.165 8 T HN 0.091 nan 8.240 nan 0.000 0.482 9 P HA 0.152 nan 4.420 nan 0.000 0.269 9 P C 0.623 177.956 177.300 0.056 0.000 1.211 9 P CA 0.121 63.262 63.100 0.067 0.000 0.781 9 P CB 0.435 32.154 31.700 0.032 0.000 0.877 10 N N 0.146 118.881 118.700 0.058 0.000 2.039 10 N HA -0.079 4.661 4.740 0.000 0.000 0.193 10 N C 0.210 175.737 175.510 0.028 0.000 1.044 10 N CA 0.819 53.900 53.050 0.052 0.000 0.847 10 N CB -0.106 38.414 38.487 0.054 0.000 1.030 10 N HN 0.344 nan 8.380 nan 0.000 0.422 11 I N 1.515 122.084 120.570 -0.002 0.000 2.378 11 I HA 0.252 4.422 4.170 0.000 0.000 0.291 11 I C -0.857 175.230 176.117 -0.049 0.000 0.992 11 I CA -0.487 60.792 61.300 -0.034 0.000 1.154 11 I CB 2.108 40.072 38.000 -0.060 0.000 1.315 11 I HN -0.024 nan 8.210 nan 0.000 0.448 12 L N 6.731 127.927 121.223 -0.045 0.000 2.268 12 L HA 0.419 4.759 4.340 0.000 0.000 0.289 12 L C 0.485 177.326 176.870 -0.048 0.000 1.064 12 L CA -0.660 54.152 54.840 -0.045 0.000 0.824 12 L CB 0.392 42.439 42.059 -0.021 0.000 1.202 12 L HN 0.654 nan 8.230 nan 0.000 0.433 13 R N 3.588 124.060 120.500 -0.047 0.000 2.442 13 R HA 0.381 4.722 4.340 0.000 0.000 0.291 13 R C -0.605 175.705 176.300 0.017 0.000 1.069 13 R CA -0.622 55.492 56.100 0.022 0.000 1.022 13 R CB 0.421 30.795 30.300 0.123 0.000 0.976 13 R HN 0.442 nan 8.270 nan 0.000 0.443 14 L N 2.276 123.501 121.223 0.003 0.000 2.452 14 L HA 0.030 4.370 4.340 0.000 0.000 0.267 14 L C 0.789 177.635 176.870 -0.039 0.000 1.188 14 L CA 0.253 55.078 54.840 -0.026 0.000 0.821 14 L CB 0.251 42.281 42.059 -0.049 0.000 1.102 14 L HN 0.881 nan 8.230 nan 0.000 0.470 15 E N 0.542 120.718 120.200 -0.039 0.000 2.360 15 E HA -0.230 4.121 4.350 0.000 0.000 0.238 15 E C -0.779 175.795 176.600 -0.043 0.000 1.186 15 E CA 0.615 56.987 56.400 -0.045 0.000 0.719 15 E CB -0.459 29.197 29.700 -0.074 0.000 1.236 15 E HN 0.472 nan 8.360 nan 0.000 0.386 16 S N -0.349 115.330 115.700 -0.035 0.000 2.537 16 S HA 0.344 4.815 4.470 0.000 0.000 0.270 16 S C -1.318 173.247 174.600 -0.058 0.000 1.142 16 S CA -0.752 57.435 58.200 -0.023 0.000 0.870 16 S CB 1.723 64.943 63.200 0.033 0.000 1.112 16 S HN 0.292 nan 8.310 nan 0.000 0.466 17 E N 2.370 122.544 120.200 -0.044 0.000 2.238 17 E HA 0.140 4.490 4.350 0.000 0.000 0.264 17 E C -0.625 175.907 176.600 -0.113 0.000 1.136 17 E CA 0.608 56.965 56.400 -0.073 0.000 0.929 17 E CB 0.252 29.933 29.700 -0.031 0.000 1.010 17 E HN 0.376 nan 8.360 nan 0.000 0.440 18 E N 3.280 123.336 120.200 -0.240 0.000 2.199 18 E HA 0.279 4.629 4.350 0.000 0.000 0.269 18 E C -0.859 175.581 176.600 -0.267 0.000 0.899 18 E CA -0.719 55.521 56.400 -0.266 0.000 0.772 18 E CB 1.948 31.429 29.700 -0.365 0.000 1.155 18 E HN 0.397 nan 8.360 nan 0.000 0.408 19 T N 3.139 117.620 114.554 -0.121 0.000 2.767 19 T HA 0.365 4.715 4.350 0.000 0.000 0.288 19 T C 0.388 175.093 174.700 0.008 0.000 0.963 19 T CA -0.479 61.598 62.100 -0.039 0.000 1.019 19 T CB 0.449 69.319 68.868 0.002 0.000 0.923 19 T HN 0.151 nan 8.240 nan 0.000 0.468 20 M N 4.001 123.644 119.600 0.072 0.000 2.208 20 M HA 0.255 4.735 4.480 0.000 0.000 0.352 20 M C -0.502 175.866 176.300 0.112 0.000 1.137 20 M CA -0.570 54.800 55.300 0.116 0.000 1.091 20 M CB 0.828 33.544 32.600 0.193 0.000 1.309 20 M HN 0.294 nan 8.290 nan 0.000 0.408 21 V N 5.590 125.569 119.914 0.108 0.000 2.479 21 V HA 0.205 4.325 4.120 0.000 0.000 0.281 21 V C 0.282 176.457 176.094 0.135 0.000 1.031 21 V CA 0.072 62.443 62.300 0.117 0.000 1.038 21 V CB 0.362 32.265 31.823 0.133 0.000 0.981 21 V HN 0.647 nan 8.190 nan 0.000 0.478 22 L N 5.563 126.872 121.223 0.144 0.000 2.342 22 L HA 0.724 5.065 4.340 0.000 0.000 0.271 22 L C -0.000 176.954 176.870 0.140 0.000 1.008 22 L CA -0.457 54.497 54.840 0.190 0.000 0.818 22 L CB 2.012 44.231 42.059 0.266 0.000 1.296 22 L HN 0.581 nan 8.230 nan 0.000 0.427 23 E N 0.624 120.870 120.200 0.076 0.000 2.450 23 E HA 0.834 5.184 4.350 0.000 0.000 0.272 23 E C -1.447 175.012 176.600 -0.234 0.000 0.967 23 E CA -1.114 55.248 56.400 -0.063 0.000 0.818 23 E CB 2.596 32.230 29.700 -0.110 0.000 1.401 23 E HN 0.597 nan 8.360 nan 0.000 0.450 24 A N 1.568 124.168 122.820 -0.368 0.000 2.476 24 A HA 0.413 4.734 4.320 0.000 0.000 0.280 24 A C -1.550 175.704 177.584 -0.549 0.000 1.081 24 A CA -0.699 51.025 52.037 -0.522 0.000 0.753 24 A CB 0.616 19.279 19.000 -0.562 0.000 1.248 24 A HN 0.524 nan 8.150 nan 0.000 0.424 25 H N 2.196 121.117 119.070 -0.249 0.000 2.604 25 H HA 0.242 4.799 4.556 0.000 0.000 0.306 25 H C -0.700 174.505 175.328 -0.205 0.000 1.075 25 H CA 0.347 56.336 56.048 -0.099 0.000 1.357 25 H CB 0.874 30.618 29.762 -0.029 0.000 1.426 25 H HN 0.794 nan 8.280 nan 0.000 0.470 26 D N 1.688 122.105 120.400 0.027 0.000 3.620 26 D HA -0.116 4.524 4.640 0.000 0.000 0.237 26 D C -0.544 175.702 176.300 -0.091 0.000 1.111 26 D CA 0.770 54.761 54.000 -0.015 0.000 1.070 26 D CB -0.772 40.019 40.800 -0.016 0.000 0.891 26 D HN 0.744 nan 8.370 nan 0.000 0.412 27 A N 2.412 125.187 122.820 -0.075 0.000 2.459 27 A HA 0.444 4.764 4.320 0.000 0.000 0.296 27 A C -0.182 177.421 177.584 0.033 0.000 1.039 27 A CA -0.812 51.196 52.037 -0.048 0.000 0.698 27 A CB 1.698 20.631 19.000 -0.111 0.000 1.261 27 A HN 0.100 nan 8.150 nan 0.000 0.405 28 Q N 1.460 121.289 119.800 0.049 0.000 2.307 28 Q HA 0.465 4.806 4.340 0.000 0.000 0.261 28 Q C 0.852 176.898 176.000 0.077 0.000 1.051 28 Q CA 1.271 57.113 55.803 0.064 0.000 0.911 28 Q CB 0.887 29.654 28.738 0.048 0.000 1.227 28 Q HN 1.879 nan 8.270 nan 0.000 0.418 29 G N 3.539 112.398 108.800 0.099 0.000 2.568 29 G HA2 -0.192 3.769 3.960 0.000 0.000 0.222 29 G HA3 -0.192 3.769 3.960 0.000 0.000 0.222 29 G C -0.991 174.002 174.900 0.154 0.000 1.321 29 G CA -0.205 44.956 45.100 0.101 0.000 0.893 29 G HN 0.737 nan 8.290 nan 0.000 0.569 30 D N -1.134 119.341 120.400 0.126 0.000 2.350 30 D HA 0.637 5.278 4.640 0.000 0.000 0.238 30 D C -0.763 175.604 176.300 0.112 0.000 0.989 30 D CA -0.591 53.500 54.000 0.152 0.000 0.921 30 D CB 2.280 43.153 40.800 0.122 0.000 1.297 30 D HN 1.020 nan 8.370 nan 0.000 0.490 31 V N 0.839 120.829 119.914 0.126 0.000 2.656 31 V HA 0.412 4.533 4.120 0.000 0.000 0.307 31 V C -2.601 173.553 176.094 0.101 0.000 1.051 31 V CA -1.979 60.383 62.300 0.105 0.000 0.893 31 V CB 2.208 34.102 31.823 0.118 0.000 0.999 31 V HN 0.521 nan 8.190 nan 0.000 0.426 32 P HA 0.271 nan 4.420 nan 0.000 0.271 32 P C -1.202 176.096 177.300 -0.003 0.000 1.216 32 P CA 0.080 63.196 63.100 0.026 0.000 0.771 32 P CB 1.143 32.845 31.700 0.003 0.000 0.864 33 V N 2.957 122.855 119.914 -0.027 0.000 2.525 33 V HA 0.475 4.595 4.120 0.000 0.000 0.299 33 V C 0.184 176.198 176.094 -0.133 0.000 1.034 33 V CA -0.500 61.725 62.300 -0.126 0.000 0.863 33 V CB 1.786 33.556 31.823 -0.088 0.000 0.999 33 V HN 0.725 nan 8.190 nan 0.000 0.423 34 T N 1.253 115.695 114.554 -0.186 0.000 2.848 34 T HA 0.788 5.138 4.350 0.000 0.000 0.285 34 T C -0.557 174.022 174.700 -0.202 0.000 0.995 34 T CA -0.805 61.200 62.100 -0.158 0.000 0.970 34 T CB 1.690 70.484 68.868 -0.122 0.000 0.976 34 T HN 0.811 nan 8.240 nan 0.000 0.441 35 V N 0.250 120.047 119.914 -0.196 0.000 2.513 35 V HA 0.925 5.045 4.120 0.000 0.000 0.299 35 V C -0.443 175.476 176.094 -0.291 0.000 1.035 35 V CA -0.557 61.608 62.300 -0.225 0.000 0.889 35 V CB 1.315 33.027 31.823 -0.186 0.000 0.988 35 V HN 1.083 nan 8.190 nan 0.000 0.440 36 T N 3.361 117.756 114.554 -0.265 0.000 2.933 36 T HA 0.686 5.037 4.350 0.000 0.000 0.305 36 T C -0.668 173.842 174.700 -0.316 0.000 1.092 36 T CA -0.523 61.383 62.100 -0.322 0.000 1.008 36 T CB 1.896 70.630 68.868 -0.223 0.000 1.102 36 T HN 0.734 nan 8.240 nan 0.000 0.469 37 V N 2.748 122.416 119.914 -0.410 0.000 2.555 37 V HA 0.598 4.718 4.120 0.000 0.000 0.302 37 V C -0.846 175.005 176.094 -0.404 0.000 1.038 37 V CA -0.883 61.266 62.300 -0.252 0.000 0.887 37 V CB 1.540 33.308 31.823 -0.091 0.000 0.991 37 V HN 0.919 nan 8.190 nan 0.000 0.434 38 H N 0.583 119.669 119.070 0.027 0.000 2.797 38 H HA 0.515 5.072 4.556 0.001 0.000 0.372 38 H C -0.772 174.614 175.328 0.096 0.000 1.168 38 H CA -0.734 55.343 56.048 0.048 0.000 1.163 38 H CB 1.431 31.219 29.762 0.044 0.000 1.778 38 H HN 0.659 nan 8.280 nan 0.000 0.551 39 D N 0.667 121.199 120.400 0.221 0.000 2.382 39 D HA 0.062 4.702 4.640 0.000 0.000 0.245 39 D C -1.022 175.425 176.300 0.245 0.000 1.120 39 D CA -0.139 53.977 54.000 0.195 0.000 0.890 39 D CB 0.429 41.304 40.800 0.126 0.000 1.201 39 D HN 0.245 nan 8.370 nan 0.000 0.433 40 F N 4.705 124.721 119.950 0.110 0.000 2.411 40 F HA 0.528 5.055 4.527 0.000 0.000 0.352 40 F C -2.350 173.493 175.800 0.072 0.000 1.123 40 F CA -2.088 55.964 58.000 0.087 0.000 1.044 40 F CB 1.137 40.198 39.000 0.100 0.000 1.135 40 F HN 0.132 nan 8.300 nan 0.000 0.461 41 P HA 0.741 nan 4.420 nan 0.000 0.294 41 P C -0.887 176.367 177.300 -0.075 0.000 1.294 41 P CA -0.440 62.535 63.100 -0.209 0.000 0.827 41 P CB 1.855 33.374 31.700 -0.302 0.000 0.992 42 G N 1.215 110.024 108.800 0.014 0.000 2.404 42 G HA2 0.218 4.179 3.960 0.000 0.000 0.298 42 G HA3 0.218 4.179 3.960 0.000 0.000 0.298 42 G C -1.458 173.466 174.900 0.040 0.000 1.577 42 G CA -0.912 44.196 45.100 0.015 0.000 0.847 42 G HN 0.315 nan 8.290 nan 0.000 0.598 43 K N 1.222 121.636 120.400 0.022 0.000 2.155 43 K HA 0.180 4.501 4.320 0.000 0.000 0.240 43 K C 1.077 177.735 176.600 0.097 0.000 1.193 43 K CA -0.233 56.081 56.287 0.045 0.000 1.104 43 K CB 0.901 33.406 32.500 0.008 0.000 1.558 43 K HN 0.476 nan 8.250 nan 0.000 0.313 44 K N 1.736 122.229 120.400 0.155 0.000 2.225 44 K HA 0.084 4.405 4.320 0.000 0.000 0.204 44 K C -0.122 176.536 176.600 0.098 0.000 1.047 44 K CA 0.090 56.442 56.287 0.108 0.000 0.970 44 K CB 0.254 32.809 32.500 0.090 0.000 0.939 44 K HN 0.320 nan 8.250 nan 0.000 0.472 45 L N 0.779 122.065 121.223 0.105 0.000 2.785 45 L HA -0.159 4.181 4.340 0.000 0.000 0.590 45 L C 0.001 176.818 176.870 -0.090 0.000 1.000 45 L CA 0.338 55.120 54.840 -0.097 0.000 1.306 45 L CB -0.612 41.437 42.059 -0.015 0.000 1.738 45 L HN 0.152 nan 8.230 nan 0.000 0.846 46 V N 2.431 122.263 119.914 -0.136 0.000 3.431 46 V HA 0.496 4.616 4.120 0.000 0.000 0.253 46 V C 0.492 176.529 176.094 -0.096 0.000 1.184 46 V CA 0.933 63.191 62.300 -0.069 0.000 1.104 46 V CB 0.702 32.517 31.823 -0.015 0.000 0.799 46 V HN 0.761 nan 8.190 nan 0.000 0.462 47 L N 0.629 121.735 121.223 -0.196 0.000 2.455 47 L HA 0.702 5.043 4.340 0.000 0.000 0.264 47 L C 0.730 177.450 176.870 -0.250 0.000 0.968 47 L CA 0.617 55.318 54.840 -0.232 0.000 0.827 47 L CB 2.357 44.171 42.059 -0.409 0.000 1.317 47 L HN 0.209 nan 8.230 nan 0.000 0.407 48 S N 1.691 117.285 115.700 -0.176 0.000 2.339 48 S HA 0.125 4.595 4.470 0.000 0.000 0.189 48 S C 1.324 175.833 174.600 -0.152 0.000 0.966 48 S CA 0.571 58.684 58.200 -0.144 0.000 0.925 48 S CB -0.622 62.527 63.200 -0.086 0.000 0.890 48 S HN 0.798 nan 8.310 nan 0.000 0.539 49 S N 1.106 116.735 115.700 -0.117 0.000 2.343 49 S HA 0.227 4.697 4.470 0.000 0.000 0.155 49 S C -0.269 174.260 174.600 -0.119 0.000 1.261 49 S CA 0.090 58.230 58.200 -0.100 0.000 2.081 49 S CB -0.854 62.308 63.200 -0.063 0.000 0.460 49 S HN 0.546 nan 8.310 nan 0.000 0.370 50 E N 1.160 121.311 120.200 -0.081 0.000 3.783 50 E HA -0.118 4.232 4.350 0.000 0.000 0.154 50 E C -0.995 175.570 176.600 -0.059 0.000 1.748 50 E CA 0.664 57.027 56.400 -0.062 0.000 0.854 50 E CB -1.339 28.309 29.700 -0.088 0.000 1.075 50 E HN 0.792 nan 8.360 nan 0.000 0.360 51 K N -0.331 120.047 120.400 -0.036 0.000 2.156 51 K HA 0.759 5.079 4.320 0.000 0.000 0.254 51 K C -0.184 176.411 176.600 -0.008 0.000 0.950 51 K CA -0.664 55.603 56.287 -0.034 0.000 0.849 51 K CB 2.307 34.788 32.500 -0.031 0.000 1.100 51 K HN 0.122 nan 8.250 nan 0.000 0.434 52 T N 1.007 115.560 114.554 -0.001 0.000 2.909 52 T HA 0.477 4.827 4.350 0.000 0.000 0.299 52 T C -1.512 173.213 174.700 0.041 0.000 1.073 52 T CA -0.787 61.328 62.100 0.026 0.000 0.999 52 T CB 1.243 70.137 68.868 0.043 0.000 1.098 52 T HN 0.360 nan 8.240 nan 0.000 0.477 53 V N 5.999 125.943 119.914 0.049 0.000 2.347 53 V HA 0.416 4.536 4.120 0.000 0.000 0.280 53 V C 0.379 176.527 176.094 0.089 0.000 1.021 53 V CA -0.753 61.585 62.300 0.064 0.000 0.847 53 V CB 1.263 33.112 31.823 0.044 0.000 0.990 53 V HN 0.811 nan 8.190 nan 0.000 0.444 54 L N 4.979 126.289 121.223 0.144 0.000 2.382 54 L HA 0.151 4.492 4.340 0.000 0.000 0.259 54 L C 0.784 177.786 176.870 0.220 0.000 1.291 54 L CA 0.157 55.128 54.840 0.219 0.000 1.176 54 L CB -0.551 41.687 42.059 0.298 0.000 1.373 54 L HN 0.673 nan 8.230 nan 0.000 0.426 55 T N 2.415 116.995 114.554 0.045 0.000 2.888 55 T HA 0.049 4.399 4.350 0.000 0.000 0.301 55 T C -1.382 173.149 174.700 -0.281 0.000 1.001 55 T CA -0.904 61.168 62.100 -0.047 0.000 1.147 55 T CB 1.077 69.918 68.868 -0.046 0.000 0.931 55 T HN 0.248 nan 8.240 nan 0.000 0.541 56 P HA -0.047 nan 4.420 nan 0.000 0.218 56 P C 1.295 178.409 177.300 -0.311 0.000 1.148 56 P CA 0.574 63.399 63.100 -0.458 0.000 0.822 56 P CB 0.037 31.669 31.700 -0.113 0.000 0.784 57 A N -0.680 122.032 122.820 -0.179 0.000 2.172 57 A HA -0.068 4.252 4.320 0.000 0.000 0.216 57 A C 1.518 179.026 177.584 -0.126 0.000 1.154 57 A CA 1.844 53.810 52.037 -0.119 0.000 0.701 57 A CB -1.337 17.621 19.000 -0.070 0.000 0.789 57 A HN 0.337 nan 8.150 nan 0.000 0.465 58 T N -4.466 109.983 114.554 -0.175 0.000 3.380 58 T HA 0.245 4.596 4.350 0.000 0.000 0.289 58 T C 0.183 174.770 174.700 -0.189 0.000 1.012 58 T CA -0.012 62.005 62.100 -0.138 0.000 0.944 58 T CB -0.408 68.408 68.868 -0.087 0.000 1.172 58 T HN 0.359 nan 8.240 nan 0.000 0.502 59 N N 2.681 121.210 118.700 -0.285 0.000 2.690 59 N HA -0.218 4.522 4.740 0.000 0.000 0.249 59 N C -0.581 174.777 175.510 -0.254 0.000 1.125 59 N CA 1.699 54.556 53.050 -0.322 0.000 0.794 59 N CB -1.821 36.499 38.487 -0.278 0.000 1.152 59 N HN 0.859 nan 8.380 nan 0.000 0.571 60 H N -3.045 115.962 119.070 -0.105 0.000 3.113 60 H HA -0.152 4.404 4.556 0.000 0.000 0.358 60 H C 0.307 175.597 175.328 -0.064 0.000 1.239 60 H CA 1.306 57.309 56.048 -0.075 0.000 1.199 60 H CB -1.503 28.199 29.762 -0.101 0.000 1.577 60 H HN 0.435 nan 8.280 nan 0.000 0.430 66 F N -1.154 118.796 119.950 0.000 0.000 2.678 66 F HA 0.820 5.347 4.527 0.000 0.000 0.308 66 F C -0.571 175.227 175.800 -0.003 0.000 1.118 66 F CA -0.884 57.112 58.000 -0.006 0.000 0.959 66 F CB 1.311 40.301 39.000 -0.016 0.000 1.305 66 F HN 0.795 nan 8.300 nan 0.000 0.443 67 T N 0.872 115.491 114.554 0.108 0.000 2.758 67 T HA 0.690 5.040 4.350 0.000 0.000 0.285 67 T C -0.436 174.344 174.700 0.132 0.000 0.981 67 T CA -0.494 61.623 62.100 0.029 0.000 0.965 67 T CB 0.736 69.614 68.868 0.016 0.000 0.927 67 T HN 0.687 nan 8.240 nan 0.000 0.448 68 I N 5.284 125.911 120.570 0.096 0.000 2.396 68 I HA 0.272 4.442 4.170 0.000 0.000 0.289 68 I C -2.045 174.100 176.117 0.047 0.000 1.056 68 I CA -2.294 59.080 61.300 0.124 0.000 1.365 68 I CB 0.409 38.479 38.000 0.117 0.000 1.407 68 I HN 0.395 nan 8.210 nan 0.000 0.509 69 P HA 0.121 nan 4.420 nan 0.000 0.269 69 P C -0.835 176.457 177.300 -0.014 0.000 1.215 69 P CA -0.305 62.798 63.100 0.006 0.000 0.780 69 P CB 0.669 32.376 31.700 0.013 0.000 0.898 70 A N 2.562 125.351 122.820 -0.052 0.000 2.288 70 A HA 0.576 4.896 4.320 0.000 0.000 0.320 70 A C -0.115 177.423 177.584 -0.078 0.000 1.217 70 A CA -0.223 51.764 52.037 -0.084 0.000 0.840 70 A CB 0.162 19.069 19.000 -0.156 0.000 1.179 70 A HN 0.566 nan 8.150 nan 0.000 0.504 71 N N 0.329 119.012 118.700 -0.028 0.000 3.633 71 N HA 0.342 5.082 4.740 0.000 0.000 0.344 71 N C -0.008 175.547 175.510 0.075 0.000 1.627 71 N CA -0.795 52.275 53.050 0.034 0.000 0.754 71 N CB 0.744 39.254 38.487 0.039 0.000 2.450 71 N HN 0.765 nan 8.380 nan 0.000 0.592 75 K N -0.078 120.425 120.400 0.172 0.000 2.179 75 K HA 0.417 4.737 4.320 0.000 0.000 0.238 75 K C 1.169 177.824 176.600 0.093 0.000 1.033 75 K CA 0.365 56.720 56.287 0.113 0.000 0.926 75 K CB 0.977 33.519 32.500 0.070 0.000 1.151 75 K HN 0.244 nan 8.250 nan 0.000 0.492 76 S N 0.180 115.919 115.700 0.065 0.000 2.407 76 S HA -0.040 4.430 4.470 0.000 0.000 0.192 76 S C 0.085 174.705 174.600 0.034 0.000 1.169 76 S CA 0.435 58.665 58.200 0.050 0.000 1.496 76 S CB -0.141 63.080 63.200 0.034 0.000 0.918 76 S HN 0.582 nan 8.310 nan 0.000 0.388 77 E N 0.041 120.252 120.200 0.019 0.000 2.331 77 E HA 0.319 4.669 4.350 0.000 0.000 0.275 77 E C -1.265 175.336 176.600 0.002 0.000 0.895 77 E CA -0.600 55.802 56.400 0.004 0.000 0.753 77 E CB 1.831 31.528 29.700 -0.005 0.000 1.216 77 E HN 0.320 nan 8.360 nan 0.000 0.434 78 K N 1.479 121.872 120.400 -0.012 0.000 2.972 78 K HA -0.009 4.311 4.320 0.000 0.000 0.257 78 K C 1.154 177.755 176.600 0.002 0.000 1.118 78 K CA 0.054 56.333 56.287 -0.013 0.000 1.142 78 K CB -0.577 31.888 32.500 -0.057 0.000 1.252 78 K HN 0.663 nan 8.250 nan 0.000 0.266 79 G N 1.062 109.868 108.800 0.010 0.000 2.689 79 G HA2 -0.270 3.691 3.960 0.000 0.000 0.216 79 G HA3 -0.270 3.691 3.960 0.000 0.000 0.216 79 G C 1.134 176.051 174.900 0.029 0.000 1.119 79 G CA 0.523 45.631 45.100 0.013 0.000 0.732 79 G HN 0.488 nan 8.290 nan 0.000 0.576 80 R N -1.205 119.320 120.500 0.042 0.000 2.504 80 R HA 0.090 4.430 4.340 0.000 0.000 0.341 80 R C -0.124 176.236 176.300 0.100 0.000 0.905 80 R CA -0.392 55.758 56.100 0.084 0.000 1.133 80 R CB 0.315 30.674 30.300 0.098 0.000 1.704 80 R HN 0.320 nan 8.270 nan 0.000 0.503 81 N N 2.442 121.148 118.700 0.012 0.000 4.004 81 N HA -0.153 4.587 4.740 0.000 0.000 0.308 81 N C -1.209 174.193 175.510 -0.181 0.000 2.168 81 N CA 0.936 53.920 53.050 -0.110 0.000 2.861 81 N CB 0.140 38.550 38.487 -0.128 0.000 0.389 81 N HN 0.116 nan 8.380 nan 0.000 0.708 82 K N 1.646 121.907 120.400 -0.232 0.000 2.087 82 K HA 0.600 4.920 4.320 0.000 0.000 0.255 82 K C -0.543 175.844 176.600 -0.354 0.000 0.988 82 K CA 0.036 56.254 56.287 -0.116 0.000 0.915 82 K CB 0.757 33.246 32.500 -0.019 0.000 1.043 82 K HN 0.248 nan 8.250 nan 0.000 0.457 83 F N 0.114 120.151 119.950 0.144 0.000 2.576 83 F HA 0.322 4.850 4.527 0.001 0.000 0.313 83 F C -0.354 175.557 175.800 0.186 0.000 1.078 83 F CA -1.114 56.985 58.000 0.165 0.000 0.921 83 F CB 1.934 41.080 39.000 0.243 0.000 1.232 83 F HN 0.153 nan 8.300 nan 0.000 0.459 84 V N -1.109 118.984 119.914 0.298 0.000 2.680 84 V HA 0.707 4.827 4.120 0.000 0.000 0.309 84 V C -0.492 175.701 176.094 0.166 0.000 1.052 84 V CA -0.651 61.783 62.300 0.224 0.000 0.908 84 V CB 1.357 33.270 31.823 0.150 0.000 1.001 84 V HN 0.729 nan 8.190 nan 0.000 0.431 85 T N 4.514 119.172 114.554 0.174 0.000 2.733 85 T HA 0.545 4.896 4.350 0.000 0.000 0.294 85 T C 0.062 174.828 174.700 0.109 0.000 0.956 85 T CA -0.242 61.920 62.100 0.104 0.000 0.987 85 T CB 0.963 69.912 68.868 0.136 0.000 0.920 85 T HN 1.205 nan 8.240 nan 0.000 0.470 86 V N 2.380 122.332 119.914 0.063 0.000 2.481 86 V HA 0.655 4.775 4.120 0.000 0.000 0.286 86 V C -0.287 175.820 176.094 0.022 0.000 1.042 86 V CA -1.024 61.305 62.300 0.049 0.000 0.928 86 V CB 1.499 33.362 31.823 0.067 0.000 0.986 86 V HN 0.733 nan 8.190 nan 0.000 0.462 87 Q N 3.085 122.879 119.800 -0.010 0.000 2.256 87 Q HA 0.768 5.108 4.340 0.000 0.000 0.257 87 Q C -0.387 175.543 176.000 -0.117 0.000 0.936 87 Q CA -0.003 55.775 55.803 -0.042 0.000 0.903 87 Q CB 1.829 30.555 28.738 -0.021 0.000 1.263 87 Q HN 1.273 nan 8.270 nan 0.000 0.440 88 A N 3.250 125.973 122.820 -0.162 0.000 2.815 88 A HA 0.431 4.751 4.320 0.000 0.000 0.318 88 A C -0.918 176.319 177.584 -0.578 0.000 1.186 88 A CA -0.650 51.177 52.037 -0.350 0.000 0.754 88 A CB 0.538 19.427 19.000 -0.185 0.000 1.151 88 A HN 0.665 nan 8.150 nan 0.000 0.452 89 T N 2.001 116.221 114.554 -0.558 0.000 2.743 89 T HA 0.457 4.807 4.350 0.000 0.000 0.293 89 T C -0.618 173.691 174.700 -0.650 0.000 0.945 89 T CA 0.410 62.239 62.100 -0.450 0.000 1.030 89 T CB -0.272 68.452 68.868 -0.239 0.000 0.912 89 T HN 0.324 nan 8.240 nan 0.000 0.483 90 F N 2.992 122.825 119.950 -0.195 0.000 2.334 90 F HA 0.523 5.050 4.527 0.001 0.000 0.343 90 F C 1.420 177.071 175.800 -0.248 0.000 1.136 90 F CA -0.556 57.290 58.000 -0.258 0.000 1.237 90 F CB 0.184 38.889 39.000 -0.490 0.000 1.525 90 F HN 0.902 nan 8.300 nan 0.000 0.528 91 G N 1.330 110.105 108.800 -0.043 0.000 4.026 91 G HA2 -0.375 3.585 3.960 0.000 0.000 0.309 91 G HA3 -0.375 3.585 3.960 0.000 0.000 0.309 91 G C 1.107 175.976 174.900 -0.051 0.000 1.411 91 G CA 0.773 45.850 45.100 -0.038 0.000 1.037 91 G HN 0.373 nan 8.290 nan 0.000 0.687 92 T N 0.593 115.115 114.554 -0.053 0.000 3.071 92 T HA 0.316 4.666 4.350 0.000 0.000 0.239 92 T C 1.042 175.711 174.700 -0.051 0.000 0.997 92 T CA 1.293 63.366 62.100 -0.044 0.000 1.134 92 T CB 0.144 68.996 68.868 -0.027 0.000 0.928 92 T HN 0.460 nan 8.240 nan 0.000 0.453 93 Q N 1.882 121.640 119.800 -0.070 0.000 2.296 93 Q HA 0.452 4.793 4.340 0.000 0.000 0.262 93 Q C -1.071 174.910 176.000 -0.032 0.000 0.981 93 Q CA -0.046 55.724 55.803 -0.054 0.000 0.905 93 Q CB 1.056 29.751 28.738 -0.071 0.000 1.186 93 Q HN 0.192 nan 8.270 nan 0.000 0.399 94 V N 5.042 124.949 119.914 -0.012 0.000 2.604 94 V HA 0.684 4.804 4.120 0.000 0.000 0.305 94 V C -1.181 174.926 176.094 0.022 0.000 1.043 94 V CA -0.692 61.597 62.300 -0.019 0.000 0.888 94 V CB 2.050 33.838 31.823 -0.059 0.000 0.995 94 V HN 0.577 nan 8.190 nan 0.000 0.429 95 V N 6.450 126.393 119.914 0.048 0.000 2.513 95 V HA 0.658 4.779 4.120 0.000 0.000 0.299 95 V C -0.201 175.898 176.094 0.009 0.000 1.035 95 V CA -0.564 61.769 62.300 0.055 0.000 0.889 95 V CB 1.494 33.392 31.823 0.124 0.000 0.988 95 V HN 1.044 nan 8.190 nan 0.000 0.440 96 E N 2.779 122.976 120.200 -0.005 0.000 2.320 96 E HA 0.892 5.242 4.350 0.000 0.000 0.264 96 E C -1.096 175.484 176.600 -0.033 0.000 0.923 96 E CA -1.304 55.086 56.400 -0.017 0.000 0.796 96 E CB 2.732 32.420 29.700 -0.019 0.000 1.262 96 E HN 0.433 nan 8.360 nan 0.000 0.428 97 K N 0.786 121.164 120.400 -0.037 0.000 2.525 97 K HA 0.307 4.627 4.320 0.000 0.000 0.254 97 K C -1.988 174.567 176.600 -0.075 0.000 0.934 97 K CA -0.781 55.472 56.287 -0.055 0.000 0.802 97 K CB 2.319 34.800 32.500 -0.032 0.000 1.295 97 K HN 0.450 nan 8.250 nan 0.000 0.433 98 V N 4.716 124.543 119.914 -0.144 0.000 2.339 98 V HA 0.354 4.474 4.120 0.000 0.000 0.261 98 V C -0.273 175.815 176.094 -0.010 0.000 1.058 98 V CA -0.762 61.418 62.300 -0.200 0.000 0.897 98 V CB 0.695 32.195 31.823 -0.539 0.000 1.052 98 V HN 0.507 nan 8.190 nan 0.000 0.480 99 V N 5.558 125.535 119.914 0.106 0.000 2.713 99 V HA 0.467 4.587 4.120 0.000 0.000 0.307 99 V C 0.016 176.273 176.094 0.273 0.000 1.052 99 V CA -0.861 61.536 62.300 0.162 0.000 0.967 99 V CB 1.932 33.808 31.823 0.089 0.000 1.019 99 V HN 0.664 nan 8.190 nan 0.000 0.459 100 L N 4.093 125.408 121.223 0.153 0.000 2.371 100 L HA 0.511 4.851 4.340 0.000 0.000 0.272 100 L C -0.153 176.607 176.870 -0.185 0.000 1.124 100 L CA 0.539 55.248 54.840 -0.217 0.000 0.816 100 L CB 1.306 43.242 42.059 -0.205 0.000 1.129 100 L HN 0.475 nan 8.230 nan 0.000 0.448 101 V N 3.377 123.121 119.914 -0.283 0.000 2.612 101 V HA 0.547 4.668 4.120 0.000 0.000 0.301 101 V C 0.076 176.082 176.094 -0.147 0.000 1.046 101 V CA -0.601 61.608 62.300 -0.152 0.000 0.946 101 V CB 1.450 33.209 31.823 -0.107 0.000 1.003 101 V HN 0.840 nan 8.190 nan 0.000 0.459 102 S N 2.270 117.915 115.700 -0.091 0.000 2.552 102 S HA 0.482 4.953 4.470 0.000 0.000 0.314 102 S C -0.223 174.352 174.600 -0.041 0.000 1.099 102 S CA -0.469 57.688 58.200 -0.072 0.000 1.070 102 S CB 1.057 64.211 63.200 -0.077 0.000 0.998 102 S HN 0.627 nan 8.310 nan 0.000 0.474 103 L N 4.585 125.779 121.223 -0.048 0.000 2.783 103 L HA 0.485 4.825 4.340 0.000 0.000 0.236 103 L C 0.633 177.476 176.870 -0.044 0.000 1.225 103 L CA 0.286 55.094 54.840 -0.052 0.000 1.026 103 L CB -0.234 41.793 42.059 -0.053 0.000 1.314 103 L HN 0.632 nan 8.230 nan 0.000 0.489 104 Q N -0.210 119.594 119.800 0.006 0.000 2.465 104 Q HA 0.052 4.392 4.340 0.000 0.000 0.237 104 Q C 1.529 177.525 176.000 -0.007 0.000 1.288 104 Q CA 0.469 56.308 55.803 0.059 0.000 0.888 104 Q CB 0.010 28.816 28.738 0.112 0.000 1.570 104 Q HN 0.448 nan 8.270 nan 0.000 0.532 105 S N 1.149 116.715 115.700 -0.223 0.000 2.399 105 S HA -0.221 4.250 4.470 0.000 0.000 0.235 105 S C 1.149 175.357 174.600 -0.654 0.000 1.063 105 S CA 1.291 59.110 58.200 -0.635 0.000 1.070 105 S CB -0.198 62.261 63.200 -1.235 0.000 0.904 105 S HN 0.915 nan 8.310 nan 0.000 0.456 106 G N -0.672 107.918 108.800 -0.351 0.000 1.844 106 G HA2 -0.023 3.937 3.960 0.000 0.000 0.177 106 G HA3 -0.023 3.937 3.960 0.000 0.000 0.177 106 G C -1.322 173.269 174.900 -0.514 0.000 1.010 106 G CA -0.400 44.397 45.100 -0.504 0.000 1.257 106 G HN 0.314 nan 8.290 nan 0.000 0.428 107 Y N 0.376 120.722 120.300 0.078 0.000 2.457 107 Y HA 0.780 5.330 4.550 -0.000 0.000 0.343 107 Y C 0.058 175.632 175.900 -0.543 0.000 0.994 107 Y CA -0.795 57.113 58.100 -0.320 0.000 1.031 107 Y CB 2.066 40.334 38.460 -0.320 0.000 1.246 107 Y HN 0.476 nan 8.280 nan 0.000 0.449 108 L N 3.871 124.323 121.223 -1.286 0.000 2.322 108 L HA 0.587 4.927 4.340 0.000 0.000 0.281 108 L C -1.311 174.960 176.870 -0.999 0.000 1.014 108 L CA -0.591 53.700 54.840 -0.916 0.000 0.815 108 L CB 1.230 42.832 42.059 -0.762 0.000 1.247 108 L HN 0.497 nan 8.230 nan 0.000 0.421 109 F N 3.482 123.357 119.950 -0.125 0.000 2.482 109 F HA 0.555 5.082 4.527 -0.001 0.000 0.331 109 F C 0.021 175.928 175.800 0.178 0.000 1.115 109 F CA -0.537 57.484 58.000 0.034 0.000 0.955 109 F CB 1.591 40.620 39.000 0.049 0.000 1.136 109 F HN 0.165 nan 8.300 nan 0.000 0.452 110 I N 2.949 123.702 120.570 0.305 0.000 2.362 110 I HA 0.333 4.503 4.170 0.000 0.000 0.289 110 I C -0.478 175.814 176.117 0.291 0.000 0.994 110 I CA -0.604 60.846 61.300 0.251 0.000 1.158 110 I CB 1.560 39.666 38.000 0.176 0.000 1.315 110 I HN 0.549 nan 8.210 nan 0.000 0.451 111 Q N 4.654 124.633 119.800 0.299 0.000 2.256 111 Q HA 0.570 4.911 4.340 0.000 0.000 0.257 111 Q C -1.273 174.863 176.000 0.226 0.000 0.936 111 Q CA -0.486 55.488 55.803 0.285 0.000 0.903 111 Q CB 1.866 30.832 28.738 0.381 0.000 1.263 111 Q HN 0.692 nan 8.270 nan 0.000 0.440 112 T N 2.757 117.434 114.554 0.205 0.000 2.879 112 T HA 0.092 4.442 4.350 0.000 0.000 0.290 112 T C 0.448 175.251 174.700 0.173 0.000 0.993 112 T CA -0.777 61.439 62.100 0.193 0.000 0.975 112 T CB 1.188 70.168 68.868 0.186 0.000 0.981 112 T HN 0.741 nan 8.240 nan 0.000 0.439 113 D N 2.782 123.284 120.400 0.169 0.000 2.149 113 D HA -0.151 4.489 4.640 0.000 0.000 0.194 113 D C 0.433 176.782 176.300 0.082 0.000 1.001 113 D CA 1.418 55.495 54.000 0.128 0.000 0.849 113 D CB 0.379 41.255 40.800 0.127 0.000 0.939 113 D HN 0.447 nan 8.370 nan 0.000 0.449 114 K N -1.592 118.826 120.400 0.030 0.000 2.378 114 K HA 0.399 4.719 4.320 0.000 0.000 0.244 114 K C 0.580 177.093 176.600 -0.144 0.000 1.039 114 K CA -0.200 55.973 56.287 -0.191 0.000 0.863 114 K CB 2.102 34.234 32.500 -0.614 0.000 1.326 114 K HN 0.001 nan 8.250 nan 0.000 0.460 115 T N -2.583 111.893 114.554 -0.130 0.000 2.971 115 T HA 0.228 4.579 4.350 0.000 0.000 0.252 115 T C 0.706 175.433 174.700 0.045 0.000 1.022 115 T CA -0.216 61.909 62.100 0.041 0.000 0.980 115 T CB -0.391 68.511 68.868 0.058 0.000 1.044 115 T HN 0.541 nan 8.240 nan 0.000 0.501 116 I N -1.221 119.246 120.570 -0.173 0.000 2.474 116 I HA 0.823 4.993 4.170 0.000 0.000 0.294 116 I C -1.624 174.279 176.117 -0.358 0.000 1.005 116 I CA -1.626 59.611 61.300 -0.106 0.000 1.113 116 I CB 1.441 39.411 38.000 -0.050 0.000 1.289 116 I HN -0.127 nan 8.210 nan 0.000 0.436 117 Y N 1.905 122.260 120.300 0.091 0.000 2.545 117 Y HA 0.618 5.171 4.550 0.005 0.000 0.348 117 Y C 0.191 176.110 175.900 0.031 0.000 1.002 117 Y CA -0.817 57.304 58.100 0.036 0.000 1.039 117 Y CB 2.506 40.971 38.460 0.008 0.000 1.271 117 Y HN 0.713 nan 8.280 nan 0.000 0.467 118 T N 0.018 114.683 114.554 0.185 0.000 2.837 118 T HA 0.463 4.814 4.350 0.000 0.000 0.285 118 T C -2.877 171.871 174.700 0.081 0.000 0.984 118 T CA -2.531 59.651 62.100 0.137 0.000 1.049 118 T CB 1.260 70.231 68.868 0.170 0.000 0.947 118 T HN 0.166 nan 8.240 nan 0.000 0.472 119 P HA 0.214 nan 4.420 nan 0.000 0.261 119 P C 1.210 178.484 177.300 -0.045 0.000 1.173 119 P CA 1.369 64.450 63.100 -0.031 0.000 0.760 119 P CB 0.133 31.839 31.700 0.010 0.000 0.783 120 G N 1.765 110.491 108.800 -0.124 0.000 2.313 120 G HA2 -0.218 3.742 3.960 0.000 0.000 0.215 120 G HA3 -0.218 3.742 3.960 0.000 0.000 0.215 120 G C 0.463 175.284 174.900 -0.132 0.000 1.023 120 G CA 0.221 45.253 45.100 -0.114 0.000 0.626 120 G HN 0.765 nan 8.290 nan 0.000 0.503 121 S N -0.012 115.621 115.700 -0.111 0.000 2.661 121 S HA 0.704 5.174 4.470 0.000 0.000 0.265 121 S C 0.003 174.475 174.600 -0.214 0.000 1.225 121 S CA 0.605 58.756 58.200 -0.082 0.000 0.986 121 S CB 1.745 64.981 63.200 0.059 0.000 1.008 121 S HN 0.608 nan 8.310 nan 0.000 0.565 122 T N 1.271 115.729 114.554 -0.160 0.000 2.794 122 T HA 0.483 4.833 4.350 0.000 0.000 0.280 122 T C -0.600 173.917 174.700 -0.305 0.000 0.987 122 T CA -0.571 61.392 62.100 -0.228 0.000 0.993 122 T CB 1.139 69.935 68.868 -0.119 0.000 0.939 122 T HN 0.511 nan 8.240 nan 0.000 0.449 123 V N 5.467 125.114 119.914 -0.446 0.000 2.408 123 V HA 0.302 4.423 4.120 0.000 0.000 0.267 123 V C -0.001 176.084 176.094 -0.016 0.000 1.047 123 V CA -0.515 61.470 62.300 -0.524 0.000 0.937 123 V CB 0.337 31.763 31.823 -0.661 0.000 0.999 123 V HN 0.697 nan 8.190 nan 0.000 0.472 124 L N 7.700 128.954 121.223 0.052 0.000 2.264 124 L HA 0.546 4.886 4.340 0.000 0.000 0.287 124 L C -0.547 176.407 176.870 0.141 0.000 1.039 124 L CA -0.459 54.419 54.840 0.064 0.000 0.829 124 L CB 0.339 42.418 42.059 0.034 0.000 1.211 124 L HN 0.756 nan 8.230 nan 0.000 0.427 125 Y N 1.334 121.609 120.300 -0.042 0.000 2.512 125 Y HA 0.821 5.371 4.550 0.000 0.000 0.348 125 Y C -0.674 175.175 175.900 -0.086 0.000 0.990 125 Y CA -1.329 56.748 58.100 -0.038 0.000 1.033 125 Y CB 1.428 39.871 38.460 -0.029 0.000 1.259 125 Y HN 0.350 nan 8.280 nan 0.000 0.461 126 R N 3.217 123.687 120.500 -0.051 0.000 2.740 126 R HA 0.634 4.975 4.340 0.000 0.000 0.282 126 R C -1.491 174.617 176.300 -0.321 0.000 0.969 126 R CA -1.098 54.817 56.100 -0.309 0.000 0.918 126 R CB 2.406 32.404 30.300 -0.503 0.000 1.175 126 R HN 0.638 nan 8.270 nan 0.000 0.464 127 I N 3.292 123.624 120.570 -0.397 0.000 2.382 127 I HA 0.286 4.456 4.170 0.000 0.000 0.285 127 I C -0.700 175.213 176.117 -0.339 0.000 1.007 127 I CA -0.646 60.503 61.300 -0.251 0.000 1.142 127 I CB 0.941 38.862 38.000 -0.132 0.000 1.289 127 I HN 0.465 nan 8.210 nan 0.000 0.453 128 F N 4.053 124.019 119.950 0.027 0.000 2.404 128 F HA 0.291 4.823 4.527 0.008 0.000 0.358 128 F C 1.113 176.939 175.800 0.044 0.000 1.120 128 F CA -0.619 57.412 58.000 0.052 0.000 1.144 128 F CB 1.151 40.214 39.000 0.104 0.000 1.133 128 F HN 0.381 nan 8.300 nan 0.000 0.495 129 T N 1.744 116.408 114.554 0.185 0.000 2.753 129 T HA 0.696 5.047 4.350 0.000 0.000 0.297 129 T C -0.546 174.293 174.700 0.231 0.000 0.981 129 T CA -0.677 61.528 62.100 0.175 0.000 0.956 129 T CB 0.436 69.386 68.868 0.137 0.000 0.936 129 T HN 0.453 nan 8.240 nan 0.000 0.463 130 V N 1.347 121.424 119.914 0.272 0.000 2.925 130 V HA 0.728 4.848 4.120 0.000 0.000 0.311 130 V C -0.196 175.998 176.094 0.166 0.000 1.104 130 V CA -1.463 60.968 62.300 0.219 0.000 0.954 130 V CB 1.627 33.600 31.823 0.250 0.000 1.022 130 V HN 0.919 nan 8.190 nan 0.000 0.427 131 N N 0.892 119.632 118.700 0.067 0.000 2.385 131 N HA 0.219 4.959 4.740 0.000 0.000 0.291 131 N C 0.706 176.249 175.510 0.054 0.000 1.298 131 N CA 0.431 53.419 53.050 -0.105 0.000 0.955 131 N CB -0.426 37.987 38.487 -0.123 0.000 1.096 131 N HN 0.796 nan 8.380 nan 0.000 0.543 132 H N -2.452 116.712 119.070 0.156 0.000 2.512 132 H HA 0.170 4.727 4.556 0.002 0.000 0.279 132 H C 1.015 176.513 175.328 0.283 0.000 0.999 132 H CA 0.554 56.764 56.048 0.270 0.000 1.283 132 H CB 0.304 30.140 29.762 0.123 0.000 1.421 132 H HN 0.483 nan 8.280 nan 0.000 0.554 133 K N 1.062 121.623 120.400 0.269 0.000 2.487 133 K HA 0.051 4.371 4.320 0.000 0.000 0.192 133 K C 0.071 176.784 176.600 0.188 0.000 1.027 133 K CA 0.083 56.488 56.287 0.196 0.000 1.054 133 K CB 0.226 32.796 32.500 0.117 0.000 0.824 133 K HN 0.226 nan 8.250 nan 0.000 0.510 134 L N 0.404 121.759 121.223 0.221 0.000 4.232 134 L HA -0.251 4.089 4.340 0.000 0.000 0.415 134 L C -0.730 176.197 176.870 0.095 0.000 1.168 134 L CA 0.140 55.074 54.840 0.156 0.000 0.966 134 L CB -1.309 40.797 42.059 0.078 0.000 2.052 134 L HN 0.202 nan 8.230 nan 0.000 0.887 135 L N 1.283 122.562 121.223 0.094 0.000 2.357 135 L HA 0.465 4.805 4.340 0.000 0.000 0.273 135 L C -1.618 175.293 176.870 0.067 0.000 1.080 135 L CA -1.762 53.116 54.840 0.064 0.000 0.803 135 L CB 0.749 42.839 42.059 0.051 0.000 1.174 135 L HN -0.179 nan 8.230 nan 0.000 0.443 136 P HA 0.104 nan 4.420 nan 0.000 0.271 136 P C -0.967 176.366 177.300 0.055 0.000 1.218 136 P CA -0.038 63.105 63.100 0.073 0.000 0.780 136 P CB 1.954 33.693 31.700 0.066 0.000 0.901 137 V N 1.929 121.882 119.914 0.065 0.000 2.891 137 V HA 0.600 4.721 4.120 0.000 0.000 0.304 137 V C -0.192 175.939 176.094 0.062 0.000 1.171 137 V CA -0.601 61.724 62.300 0.041 0.000 0.943 137 V CB 2.258 34.081 31.823 -0.000 0.000 1.037 137 V HN 0.691 nan 8.190 nan 0.000 0.427 138 G N 6.029 114.854 108.800 0.043 0.000 2.639 138 G HA2 0.502 4.462 3.960 0.000 0.000 0.312 138 G HA3 0.502 4.462 3.960 0.000 0.000 0.312 138 G C -0.111 174.823 174.900 0.057 0.000 0.911 138 G CA -0.391 44.740 45.100 0.051 0.000 1.410 138 G HN 0.588 nan 8.290 nan 0.000 0.469 139 R N 1.035 121.600 120.500 0.109 0.000 2.875 139 R HA 0.527 4.867 4.340 0.000 0.000 0.251 139 R C -0.210 176.178 176.300 0.145 0.000 1.123 139 R CA -0.617 55.562 56.100 0.131 0.000 1.064 139 R CB 1.010 31.441 30.300 0.219 0.000 1.205 139 R HN 0.330 nan 8.270 nan 0.000 0.503 140 T N 0.749 115.393 114.554 0.151 0.000 2.806 140 T HA 0.332 4.682 4.350 0.000 0.000 0.290 140 T C -0.299 174.463 174.700 0.103 0.000 0.966 140 T CA -0.374 61.794 62.100 0.114 0.000 1.060 140 T CB 1.164 70.107 68.868 0.126 0.000 0.927 140 T HN 0.191 nan 8.240 nan 0.000 0.485 141 V N 4.690 124.595 119.914 -0.016 0.000 2.914 141 V HA 0.685 4.806 4.120 0.000 0.000 0.314 141 V C -1.389 174.571 176.094 -0.223 0.000 1.084 141 V CA -1.108 61.098 62.300 -0.157 0.000 0.963 141 V CB 2.030 33.701 31.823 -0.252 0.000 1.025 141 V HN 0.792 nan 8.190 nan 0.000 0.432 142 M N 5.719 125.057 119.600 -0.438 0.000 2.190 142 M HA 0.550 5.030 4.480 0.000 0.000 0.312 142 M C -1.175 174.866 176.300 -0.432 0.000 0.990 142 M CA -0.628 54.385 55.300 -0.478 0.000 0.927 142 M CB 1.312 33.480 32.600 -0.719 0.000 1.571 142 M HN 0.304 nan 8.290 nan 0.000 0.427 143 V N 3.697 123.489 119.914 -0.202 0.000 2.409 143 V HA 0.472 4.592 4.120 0.000 0.000 0.291 143 V C -0.163 175.896 176.094 -0.058 0.000 1.020 143 V CA -0.694 61.547 62.300 -0.099 0.000 0.848 143 V CB 1.696 33.517 31.823 -0.004 0.000 0.990 143 V HN 0.851 nan 8.190 nan 0.000 0.430 144 N N 3.757 122.427 118.700 -0.049 0.000 2.384 144 N HA 0.717 5.457 4.740 0.000 0.000 0.301 144 N C -1.274 174.167 175.510 -0.114 0.000 1.133 144 N CA -0.824 52.192 53.050 -0.056 0.000 0.853 144 N CB 2.588 41.071 38.487 -0.007 0.000 1.241 144 N HN 0.504 nan 8.380 nan 0.000 0.502 145 I N 1.505 121.971 120.570 -0.173 0.000 2.410 145 I HA 0.216 4.386 4.170 0.000 0.000 0.286 145 I C -0.412 175.625 176.117 -0.133 0.000 1.009 145 I CA -0.364 60.800 61.300 -0.227 0.000 1.111 145 I CB 1.453 39.130 38.000 -0.539 0.000 1.262 145 I HN 0.353 nan 8.210 nan 0.000 0.443 146 E N 4.719 124.864 120.200 -0.091 0.000 2.214 146 E HA 0.269 4.619 4.350 0.000 0.000 0.274 146 E C -0.753 175.646 176.600 -0.335 0.000 0.977 146 E CA -0.882 55.422 56.400 -0.162 0.000 0.827 146 E CB 1.490 31.092 29.700 -0.164 0.000 1.130 146 E HN 0.563 nan 8.360 nan 0.000 0.394 147 N N 1.564 119.820 118.700 -0.740 0.000 2.408 147 N HA 0.117 4.857 4.740 0.000 0.000 0.260 147 N C -2.241 172.748 175.510 -0.869 0.000 1.242 147 N CA -1.531 50.582 53.050 -1.561 0.000 0.959 147 N CB -0.072 37.484 38.487 -1.552 0.000 1.201 147 N HN 0.036 nan 8.380 nan 0.000 0.511 148 P HA -0.162 nan 4.420 nan 0.000 0.220 148 P C 0.465 177.583 177.300 -0.303 0.000 1.144 148 P CA 1.411 64.250 63.100 -0.434 0.000 0.800 148 P CB 0.142 31.645 31.700 -0.329 0.000 0.772 149 E N -1.640 118.369 120.200 -0.319 0.000 2.476 149 E HA 0.141 4.491 4.350 0.000 0.000 0.191 149 E C 1.170 177.660 176.600 -0.183 0.000 1.064 149 E CA 0.397 56.672 56.400 -0.209 0.000 0.866 149 E CB -0.553 29.040 29.700 -0.178 0.000 0.952 149 E HN 0.137 nan 8.360 nan 0.000 0.492 150 G N 0.809 109.480 108.800 -0.215 0.000 2.241 150 G HA2 -0.235 3.725 3.960 0.000 0.000 0.244 150 G HA3 -0.235 3.725 3.960 0.000 0.000 0.244 150 G C 0.246 175.056 174.900 -0.149 0.000 0.998 150 G CA 0.133 45.136 45.100 -0.162 0.000 0.621 150 G HN 0.219 nan 8.290 nan 0.000 0.519 151 I N 2.581 123.049 120.570 -0.170 0.000 2.471 151 I HA 0.295 4.466 4.170 0.000 0.000 0.286 151 I C -2.073 173.973 176.117 -0.119 0.000 1.079 151 I CA -2.838 58.389 61.300 -0.122 0.000 1.398 151 I CB 0.332 38.270 38.000 -0.104 0.000 1.403 151 I HN -0.084 nan 8.210 nan 0.000 0.530 152 P HA 0.116 nan 4.420 nan 0.000 0.281 152 P C 0.727 178.013 177.300 -0.023 0.000 1.252 152 P CA -0.088 62.979 63.100 -0.055 0.000 0.778 152 P CB 0.978 32.659 31.700 -0.032 0.000 0.895 153 V N 0.170 120.071 119.914 -0.022 0.000 3.556 153 V HA 0.418 4.538 4.120 0.000 0.000 0.287 153 V C 0.262 176.343 176.094 -0.021 0.000 1.422 153 V CA 0.320 62.645 62.300 0.043 0.000 1.038 153 V CB -0.446 31.506 31.823 0.214 0.000 0.850 153 V HN 0.344 nan 8.190 nan 0.000 0.437 154 K N 0.992 121.320 120.400 -0.120 0.000 2.553 154 K HA 0.596 4.916 4.320 0.000 0.000 0.250 154 K C -1.278 175.279 176.600 -0.071 0.000 0.953 154 K CA -0.266 55.953 56.287 -0.114 0.000 0.800 154 K CB 2.030 34.358 32.500 -0.288 0.000 1.243 154 K HN 0.411 nan 8.250 nan 0.000 0.435 155 Q N 2.760 122.547 119.800 -0.022 0.000 2.304 155 Q HA 0.418 4.758 4.340 0.000 0.000 0.270 155 Q C -1.409 174.587 176.000 -0.006 0.000 1.035 155 Q CA -1.021 54.775 55.803 -0.013 0.000 0.781 155 Q CB 2.316 31.054 28.738 0.001 0.000 1.261 155 Q HN 0.547 nan 8.270 nan 0.000 0.444 156 D N 1.079 121.468 120.400 -0.018 0.000 2.780 156 D HA 0.341 4.982 4.640 0.000 0.000 0.242 156 D C -1.043 175.231 176.300 -0.044 0.000 1.135 156 D CA -0.373 53.616 54.000 -0.019 0.000 0.859 156 D CB 2.319 43.115 40.800 -0.006 0.000 1.530 156 D HN 0.251 nan 8.370 nan 0.000 0.493 157 S N 1.571 117.252 115.700 -0.031 0.000 2.594 157 S HA 0.528 4.998 4.470 0.000 0.000 0.322 157 S C -0.699 173.884 174.600 -0.027 0.000 1.085 157 S CA -0.597 57.582 58.200 -0.035 0.000 1.116 157 S CB 0.795 63.987 63.200 -0.014 0.000 0.979 157 S HN 0.274 nan 8.310 nan 0.000 0.465 158 L N 2.348 123.548 121.223 -0.038 0.000 2.409 158 L HA 0.697 5.037 4.340 0.000 0.000 0.262 158 L C -0.149 176.708 176.870 -0.021 0.000 0.992 158 L CA -0.179 54.643 54.840 -0.030 0.000 0.817 158 L CB 2.195 44.227 42.059 -0.044 0.000 1.350 158 L HN 0.581 nan 8.230 nan 0.000 0.411 159 S N 0.372 116.069 115.700 -0.004 0.000 2.654 159 S HA 0.604 5.074 4.470 0.000 0.000 0.283 159 S C 0.351 174.953 174.600 0.003 0.000 1.180 159 S CA 0.124 58.332 58.200 0.014 0.000 1.021 159 S CB 1.053 64.272 63.200 0.031 0.000 1.018 159 S HN 0.745 nan 8.310 nan 0.000 0.532 160 S N 2.484 118.195 115.700 0.018 0.000 2.624 160 S HA 0.316 4.786 4.470 0.000 0.000 0.246 160 S C -0.040 174.573 174.600 0.021 0.000 1.072 160 S CA -0.579 57.628 58.200 0.011 0.000 1.045 160 S CB -0.086 63.126 63.200 0.020 0.000 0.851 160 S HN 0.728 nan 8.310 nan 0.000 0.480 161 Q N 0.976 120.788 119.800 0.020 0.000 2.222 161 Q HA 0.403 4.743 4.340 0.000 0.000 0.252 161 Q C -0.041 175.966 176.000 0.012 0.000 0.926 161 Q CA -0.097 55.718 55.803 0.020 0.000 0.899 161 Q CB 0.684 29.436 28.738 0.024 0.000 1.250 161 Q HN 0.557 nan 8.270 nan 0.000 0.441 162 N N 1.080 119.787 118.700 0.011 0.000 2.885 162 N HA -0.290 4.450 4.740 0.000 0.000 0.215 162 N C 0.466 175.978 175.510 0.002 0.000 0.893 162 N CA 1.679 54.733 53.050 0.006 0.000 1.147 162 N CB -0.593 37.897 38.487 0.004 0.000 0.967 162 N HN 0.537 nan 8.380 nan 0.000 0.601 163 Q N 0.616 120.416 119.800 0.000 0.000 2.488 163 Q HA 0.238 4.578 4.340 0.000 0.000 0.211 163 Q C -0.065 175.939 176.000 0.007 0.000 0.967 163 Q CA 0.241 56.041 55.803 -0.006 0.000 0.926 163 Q CB 0.239 28.966 28.738 -0.019 0.000 0.992 163 Q HN 0.353 nan 8.270 nan 0.000 0.506 164 L N 0.280 121.512 121.223 0.015 0.000 3.965 164 L HA -0.344 3.997 4.340 0.000 0.000 0.476 164 L C 1.017 177.915 176.870 0.046 0.000 1.201 164 L CA 1.739 56.595 54.840 0.027 0.000 0.710 164 L CB -2.294 39.777 42.059 0.019 0.000 1.509 164 L HN 0.569 nan 8.230 nan 0.000 0.815 165 G N -1.649 107.182 108.800 0.052 0.000 2.424 165 G HA2 -0.241 3.719 3.960 0.000 0.000 0.207 165 G HA3 -0.241 3.719 3.960 0.000 0.000 0.207 165 G C 0.124 175.064 174.900 0.067 0.000 1.061 165 G CA -0.130 45.025 45.100 0.092 0.000 0.657 165 G HN 0.395 nan 8.290 nan 0.000 0.508 166 V N 1.902 121.827 119.914 0.018 0.000 2.607 166 V HA 0.694 4.814 4.120 0.000 0.000 0.289 166 V C 0.449 176.452 176.094 -0.152 0.000 1.053 166 V CA -0.210 62.022 62.300 -0.115 0.000 0.996 166 V CB 1.632 33.403 31.823 -0.086 0.000 0.995 166 V HN 0.369 nan 8.190 nan 0.000 0.476 167 L N 5.992 127.067 121.223 -0.247 0.000 2.417 167 L HA 0.413 4.753 4.340 0.000 0.000 0.259 167 L C -2.567 174.152 176.870 -0.251 0.000 1.023 167 L CA -1.431 53.288 54.840 -0.201 0.000 0.901 167 L CB 2.041 43.999 42.059 -0.168 0.000 1.227 167 L HN 0.491 nan 8.230 nan 0.000 0.454 168 P HA 0.328 nan 4.420 nan 0.000 0.276 168 P C -0.864 176.252 177.300 -0.306 0.000 1.243 168 P CA 0.076 63.026 63.100 -0.249 0.000 0.768 168 P CB 0.879 32.477 31.700 -0.171 0.000 0.856 169 L N 1.778 122.698 121.223 -0.505 0.000 2.376 169 L HA 0.726 5.067 4.340 0.000 0.000 0.258 169 L C 0.079 176.498 176.870 -0.751 0.000 1.013 169 L CA -0.591 53.843 54.840 -0.677 0.000 0.822 169 L CB 2.392 43.888 42.059 -0.939 0.000 1.388 169 L HN 0.279 nan 8.230 nan 0.000 0.413 170 S N 0.155 115.624 115.700 -0.386 0.000 2.564 170 S HA 0.757 5.227 4.470 0.000 0.000 0.274 170 S C -2.479 172.261 174.600 0.232 0.000 1.124 170 S CA -0.380 57.767 58.200 -0.087 0.000 0.869 170 S CB 1.646 64.805 63.200 -0.069 0.000 1.105 170 S HN 0.526 nan 8.310 nan 0.000 0.472 171 W N 3.213 124.531 121.300 0.029 0.000 3.326 171 W HA 0.451 5.105 4.660 -0.011 0.000 0.333 171 W C -2.118 174.338 176.519 -0.105 0.000 1.108 171 W CA -0.554 56.793 57.345 0.003 0.000 1.245 171 W CB 1.073 30.569 29.460 0.060 0.000 1.331 171 W HN 0.584 nan 8.180 nan 0.000 0.464 172 D N 5.896 125.964 120.400 -0.555 0.000 2.316 172 D HA 0.276 4.916 4.640 0.000 0.000 0.245 172 D C 0.331 175.935 176.300 -1.160 0.000 1.171 172 D CA 0.166 53.776 54.000 -0.650 0.000 0.856 172 D CB 0.966 41.557 40.800 -0.348 0.000 1.090 172 D HN 0.272 nan 8.370 nan 0.000 0.476 173 I N 4.118 124.014 120.570 -1.123 0.000 2.581 173 I HA 0.102 4.273 4.170 0.000 0.000 0.285 173 I C -1.951 173.836 176.117 -0.550 0.000 1.129 173 I CA -1.542 59.107 61.300 -1.085 0.000 1.397 173 I CB 0.079 37.623 38.000 -0.760 0.000 1.399 173 I HN 0.057 nan 8.210 nan 0.000 0.537 174 P HA 0.006 nan 4.420 nan 0.000 0.269 174 P C 0.405 177.634 177.300 -0.118 0.000 1.209 174 P CA -0.274 62.714 63.100 -0.187 0.000 0.776 174 P CB 0.467 32.118 31.700 -0.083 0.000 0.876 175 E N 2.412 122.567 120.200 -0.075 0.000 2.478 175 E HA -0.070 4.280 4.350 0.000 0.000 0.198 175 E C 0.264 176.863 176.600 -0.003 0.000 1.046 175 E CA 0.675 57.051 56.400 -0.040 0.000 0.870 175 E CB -0.184 29.494 29.700 -0.038 0.000 0.818 175 E HN 0.400 nan 8.360 nan 0.000 0.527 176 L N 0.939 122.169 121.223 0.012 0.000 2.388 176 L HA 0.454 4.794 4.340 0.000 0.000 0.267 176 L C -1.359 175.562 176.870 0.084 0.000 0.995 176 L CA -0.650 54.217 54.840 0.046 0.000 0.864 176 L CB 1.559 43.642 42.059 0.039 0.000 1.216 176 L HN -0.138 nan 8.230 nan 0.000 0.430 177 V N 4.084 124.074 119.914 0.126 0.000 3.216 177 V HA 0.374 4.494 4.120 0.000 0.000 0.302 177 V C -0.602 175.676 176.094 0.306 0.000 1.286 177 V CA -0.909 61.533 62.300 0.236 0.000 1.048 177 V CB 2.865 34.817 31.823 0.215 0.000 1.081 177 V HN 0.722 nan 8.190 nan 0.000 0.442 178 N N 2.815 121.777 118.700 0.437 0.000 2.356 178 N HA 0.085 4.825 4.740 0.000 0.000 0.252 178 N C -0.623 175.149 175.510 0.437 0.000 1.241 178 N CA 0.107 53.350 53.050 0.323 0.000 0.861 178 N CB 0.475 39.018 38.487 0.094 0.000 1.075 178 N HN 0.396 nan 8.380 nan 0.000 0.461 179 M N 1.419 121.164 119.600 0.242 0.000 2.314 179 M HA 0.403 4.884 4.480 0.000 0.000 0.342 179 M C 0.814 177.209 176.300 0.159 0.000 1.171 179 M CA -0.064 55.373 55.300 0.228 0.000 1.098 179 M CB 0.941 33.623 32.600 0.137 0.000 1.559 179 M HN 0.802 nan 8.290 nan 0.000 0.459 180 G N 1.812 110.724 108.800 0.186 0.000 2.315 180 G HA2 0.010 3.970 3.960 0.000 0.000 0.296 180 G HA3 0.010 3.970 3.960 0.000 0.000 0.296 180 G C -1.528 173.445 174.900 0.122 0.000 1.289 180 G CA -0.935 44.217 45.100 0.085 0.000 0.996 180 G HN 0.449 nan 8.290 nan 0.000 0.487 181 Q N 0.424 120.222 119.800 -0.003 0.000 2.678 181 Q HA 0.284 4.624 4.340 0.000 0.000 0.222 181 Q C -0.535 175.383 176.000 -0.136 0.000 1.281 181 Q CA -0.184 55.605 55.803 -0.023 0.000 0.994 181 Q CB 0.053 28.772 28.738 -0.033 0.000 1.452 181 Q HN 0.396 nan 8.270 nan 0.000 0.570 182 W N 2.201 123.240 121.300 -0.435 0.000 2.223 182 W HA 0.068 4.727 4.660 -0.002 0.000 0.334 182 W C 0.868 176.998 176.519 -0.649 0.000 1.334 182 W CA 0.202 57.163 57.345 -0.639 0.000 1.246 182 W CB 0.478 29.326 29.460 -1.020 0.000 1.184 182 W HN 0.107 nan 8.180 nan 0.000 0.563 183 K N 3.055 123.341 120.400 -0.189 0.000 2.208 183 K HA 0.602 4.922 4.320 0.000 0.000 0.247 183 K C -0.733 175.856 176.600 -0.018 0.000 0.953 183 K CA -1.056 55.182 56.287 -0.082 0.000 0.837 183 K CB 1.724 34.183 32.500 -0.069 0.000 1.131 183 K HN 0.282 nan 8.250 nan 0.000 0.431 184 I N 3.326 123.922 120.570 0.043 0.000 2.464 184 I HA 0.264 4.434 4.170 0.000 0.000 0.277 184 I C -0.206 175.926 176.117 0.025 0.000 1.040 184 I CA -0.563 60.737 61.300 -0.001 0.000 1.153 184 I CB 1.010 38.984 38.000 -0.042 0.000 1.274 184 I HN 0.317 nan 8.210 nan 0.000 0.469 185 R N 4.502 125.013 120.500 0.018 0.000 2.390 185 R HA 0.757 5.097 4.340 0.000 0.000 0.291 185 R C -0.290 176.056 176.300 0.078 0.000 1.070 185 R CA -0.377 55.763 56.100 0.067 0.000 1.014 185 R CB 1.475 31.818 30.300 0.071 0.000 1.007 185 R HN 0.644 nan 8.270 nan 0.000 0.466 186 A N 3.123 126.020 122.820 0.128 0.000 2.459 186 A HA 0.538 4.859 4.320 0.000 0.000 0.296 186 A C -1.584 176.104 177.584 0.173 0.000 1.039 186 A CA -0.806 51.267 52.037 0.060 0.000 0.698 186 A CB 1.042 20.048 19.000 0.010 0.000 1.261 186 A HN 0.763 nan 8.150 nan 0.000 0.405 187 Y N -0.403 119.912 120.300 0.025 0.000 2.534 187 Y HA 0.730 5.284 4.550 0.006 0.000 0.345 187 Y C -1.140 174.767 175.900 0.011 0.000 1.031 187 Y CA -1.718 56.414 58.100 0.053 0.000 1.022 187 Y CB 0.650 39.138 38.460 0.046 0.000 1.292 187 Y HN 0.565 nan 8.280 nan 0.000 0.459 188 Y N 2.208 122.643 120.300 0.224 0.000 2.526 188 Y HA 0.029 4.580 4.550 0.002 0.000 0.330 188 Y C 1.722 177.757 175.900 0.225 0.000 1.156 188 Y CA 0.444 58.624 58.100 0.134 0.000 1.419 188 Y CB 1.039 39.566 38.460 0.113 0.000 1.250 188 Y HN 0.908 nan 8.280 nan 0.000 0.540 189 E N 1.987 122.366 120.200 0.298 0.000 2.204 189 E HA -0.260 4.091 4.350 0.000 0.000 0.195 189 E C 1.307 178.053 176.600 0.244 0.000 0.990 189 E CA 1.094 57.663 56.400 0.281 0.000 0.821 189 E CB 0.127 29.944 29.700 0.196 0.000 0.750 189 E HN 0.697 nan 8.360 nan 0.000 0.477 190 N N -0.106 118.709 118.700 0.192 0.000 2.289 190 N HA -0.055 4.685 4.740 0.000 0.000 0.184 190 N C -0.077 175.493 175.510 0.099 0.000 1.016 190 N CA 0.770 53.874 53.050 0.090 0.000 0.872 190 N CB 0.308 38.779 38.487 -0.025 0.000 0.973 190 N HN -0.103 nan 8.380 nan 0.000 0.433 191 S N 0.687 116.496 115.700 0.183 0.000 2.112 191 S HA 0.224 4.694 4.470 0.000 0.000 0.151 191 S C -2.021 172.676 174.600 0.163 0.000 1.723 191 S CA -0.921 57.363 58.200 0.140 0.000 1.263 191 S CB 2.059 65.335 63.200 0.126 0.000 1.194 191 S HN 0.143 nan 8.310 nan 0.000 0.419 192 P HA -0.188 nan 4.420 nan 0.000 0.225 192 P C 1.129 178.285 177.300 -0.239 0.000 1.148 192 P CA 0.971 63.948 63.100 -0.206 0.000 0.779 192 P CB 0.145 31.732 31.700 -0.189 0.000 0.780 193 Q N 0.120 119.858 119.800 -0.103 0.000 2.079 193 Q HA -0.118 4.222 4.340 0.000 0.000 0.200 193 Q C 1.501 177.431 176.000 -0.117 0.000 0.974 193 Q CA 1.012 56.752 55.803 -0.104 0.000 0.840 193 Q CB -0.873 27.826 28.738 -0.065 0.000 0.898 193 Q HN 0.257 nan 8.270 nan 0.000 0.430 194 Q N 1.266 121.018 119.800 -0.081 0.000 2.331 194 Q HA 0.439 4.779 4.340 0.000 0.000 0.257 194 Q C -1.561 174.325 176.000 -0.190 0.000 0.957 194 Q CA -0.551 55.156 55.803 -0.160 0.000 0.923 194 Q CB 1.204 29.867 28.738 -0.124 0.000 1.212 194 Q HN 0.153 nan 8.270 nan 0.000 0.443 195 V N 4.695 124.419 119.914 -0.318 0.000 2.604 195 V HA 0.538 4.658 4.120 0.000 0.000 0.305 195 V C -0.816 175.036 176.094 -0.403 0.000 1.043 195 V CA -0.732 61.456 62.300 -0.186 0.000 0.888 195 V CB 1.422 33.208 31.823 -0.062 0.000 0.995 195 V HN 0.622 nan 8.190 nan 0.000 0.429 196 F N 1.318 121.296 119.950 0.046 0.000 2.495 196 F HA 0.705 5.232 4.527 -0.001 0.000 0.327 196 F C 0.573 176.388 175.800 0.025 0.000 1.103 196 F CA -0.249 57.760 58.000 0.016 0.000 0.949 196 F CB 2.199 41.182 39.000 -0.028 0.000 1.142 196 F HN 0.402 nan 8.300 nan 0.000 0.457 197 S N 0.705 116.519 115.700 0.190 0.000 2.566 197 S HA 0.826 5.296 4.470 0.000 0.000 0.298 197 S C -0.798 173.887 174.600 0.141 0.000 1.083 197 S CA -0.602 57.674 58.200 0.128 0.000 0.978 197 S CB 2.045 65.287 63.200 0.070 0.000 1.073 197 S HN 0.583 nan 8.310 nan 0.000 0.491 198 T N 2.450 117.083 114.554 0.133 0.000 2.912 198 T HA 0.445 4.795 4.350 0.000 0.000 0.299 198 T C -1.190 173.615 174.700 0.176 0.000 1.052 198 T CA -0.929 61.267 62.100 0.160 0.000 0.996 198 T CB 1.540 70.522 68.868 0.189 0.000 1.070 198 T HN 0.673 nan 8.240 nan 0.000 0.465 199 E N 2.634 122.937 120.200 0.173 0.000 2.222 199 E HA 0.716 5.066 4.350 0.000 0.000 0.267 199 E C -1.273 175.511 176.600 0.306 0.000 0.963 199 E CA -0.856 55.632 56.400 0.146 0.000 0.837 199 E CB 1.927 31.663 29.700 0.059 0.000 1.183 199 E HN 0.609 nan 8.360 nan 0.000 0.403 200 F N -1.564 118.499 119.950 0.188 0.000 2.645 200 F HA 0.604 5.131 4.527 -0.001 0.000 0.310 200 F C -0.711 175.247 175.800 0.262 0.000 1.102 200 F CA -1.205 56.929 58.000 0.223 0.000 0.952 200 F CB 1.537 40.728 39.000 0.318 0.000 1.326 200 F HN 0.470 nan 8.300 nan 0.000 0.456 201 E N 0.504 120.943 120.200 0.399 0.000 2.222 201 E HA 0.598 4.949 4.350 0.000 0.000 0.267 201 E C -0.193 176.627 176.600 0.368 0.000 0.963 201 E CA -0.831 55.742 56.400 0.289 0.000 0.837 201 E CB 2.315 32.117 29.700 0.169 0.000 1.183 201 E HN 0.721 nan 8.360 nan 0.000 0.403 202 V N 0.277 120.367 119.914 0.293 0.000 3.572 202 V HA 0.189 4.309 4.120 0.000 0.000 0.260 202 V C 1.630 177.827 176.094 0.171 0.000 1.324 202 V CA 0.667 63.114 62.300 0.246 0.000 1.068 202 V CB -0.019 31.938 31.823 0.223 0.000 0.837 202 V HN 0.980 nan 8.190 nan 0.000 0.450 203 K N 1.605 122.093 120.400 0.147 0.000 10.351 203 K HA -0.410 3.910 4.320 0.000 0.000 0.513 203 K C 0.400 177.055 176.600 0.092 0.000 0.469 203 K CA 3.211 59.555 56.287 0.095 0.000 1.787 203 K CB -0.801 31.734 32.500 0.058 0.000 0.832 203 K HN 0.993 nan 8.250 nan 0.000 1.184 204 E N -2.412 117.842 120.200 0.091 0.000 5.920 204 E HA -0.126 4.224 4.350 0.000 0.000 0.547 204 E C -1.603 175.060 176.600 0.105 0.000 1.264 204 E CA 0.045 56.508 56.400 0.104 0.000 2.989 204 E CB -0.929 28.828 29.700 0.094 0.000 0.795 204 E HN 0.327 nan 8.360 nan 0.000 0.269 205 Y N 3.029 123.343 120.300 0.023 0.000 2.713 205 Y HA 0.395 4.944 4.550 -0.000 0.000 0.341 205 Y C -0.629 175.277 175.900 0.011 0.000 1.167 205 Y CA 0.787 58.896 58.100 0.016 0.000 1.503 205 Y CB 0.462 38.929 38.460 0.012 0.000 1.199 205 Y HN 0.367 nan 8.280 nan 0.000 0.525 206 V N 7.501 127.270 119.914 -0.241 0.000 2.733 206 V HA 0.386 4.506 4.120 0.000 0.000 0.306 206 V C -0.888 175.040 176.094 -0.277 0.000 1.084 206 V CA -1.358 60.844 62.300 -0.163 0.000 0.905 206 V CB 1.586 33.366 31.823 -0.072 0.000 1.010 206 V HN 0.755 nan 8.190 nan 0.000 0.424 207 L N 6.047 127.169 121.223 -0.168 0.000 2.344 207 L HA -0.041 4.299 4.340 0.000 0.000 0.542 207 L C -2.275 174.521 176.870 -0.124 0.000 1.001 207 L CA -0.290 54.487 54.840 -0.105 0.000 1.242 207 L CB -0.639 41.360 42.059 -0.101 0.000 1.749 207 L HN 0.701 nan 8.230 nan 0.000 0.902 208 P HA 0.306 nan 4.420 nan 0.000 0.271 208 P C 0.005 177.198 177.300 -0.177 0.000 1.238 208 P CA 0.307 63.372 63.100 -0.058 0.000 0.794 208 P CB 0.744 32.469 31.700 0.041 0.000 0.959 209 S N 0.426 116.008 115.700 -0.195 0.000 3.214 209 S HA 0.321 4.791 4.470 0.000 0.000 0.182 209 S C 0.458 174.551 174.600 -0.845 0.000 0.728 209 S CA 0.030 57.990 58.200 -0.400 0.000 0.814 209 S CB -1.077 62.006 63.200 -0.195 0.000 0.859 209 S HN 0.598 nan 8.310 nan 0.000 0.647 210 F N 2.481 122.317 119.950 -0.189 0.000 1.381 210 F HA -0.215 4.312 4.527 0.001 0.000 0.069 210 F C -0.360 175.327 175.800 -0.188 0.000 0.139 210 F CA -0.140 57.676 58.000 -0.307 0.000 0.290 210 F CB -1.139 37.409 39.000 -0.754 0.000 0.716 210 F HN 0.645 nan 8.300 nan 0.000 0.664 211 E N 0.772 121.021 120.200 0.082 0.000 2.179 211 E HA 0.692 5.042 4.350 0.000 0.000 0.275 211 E C -1.471 175.188 176.600 0.100 0.000 0.945 211 E CA -1.116 55.296 56.400 0.020 0.000 0.792 211 E CB 2.251 31.968 29.700 0.028 0.000 1.125 211 E HN 0.629 nan 8.360 nan 0.000 0.397 212 V N 4.675 124.605 119.914 0.027 0.000 2.409 212 V HA 0.327 4.447 4.120 0.000 0.000 0.291 212 V C -0.039 176.061 176.094 0.011 0.000 1.020 212 V CA -0.794 61.534 62.300 0.047 0.000 0.848 212 V CB 0.909 32.761 31.823 0.049 0.000 0.990 212 V HN 0.683 nan 8.190 nan 0.000 0.430 213 I N 3.534 124.114 120.570 0.015 0.000 2.382 213 I HA 0.714 4.885 4.170 0.000 0.000 0.285 213 I C -0.462 175.655 176.117 0.001 0.000 1.007 213 I CA -0.730 60.574 61.300 0.006 0.000 1.142 213 I CB 1.771 39.778 38.000 0.013 0.000 1.289 213 I HN 0.360 nan 8.210 nan 0.000 0.453 214 V N 6.521 126.429 119.914 -0.010 0.000 2.328 214 V HA 0.637 4.758 4.120 0.000 0.000 0.278 214 V C -0.729 175.361 176.094 -0.008 0.000 1.021 214 V CA 0.269 62.558 62.300 -0.018 0.000 0.838 214 V CB 1.109 32.904 31.823 -0.047 0.000 0.999 214 V HN 0.974 nan 8.190 nan 0.000 0.447 215 E N 7.947 128.149 120.200 0.003 0.000 2.304 215 E HA 0.618 4.968 4.350 0.000 0.000 0.277 215 E C -3.051 173.559 176.600 0.016 0.000 0.898 215 E CA -1.929 54.478 56.400 0.011 0.000 0.764 215 E CB 1.909 31.616 29.700 0.011 0.000 1.216 215 E HN 0.455 nan 8.360 nan 0.000 0.419 216 P HA 0.001 nan 4.420 nan 0.000 0.274 216 P C 0.538 177.829 177.300 -0.014 0.000 1.246 216 P CA -0.360 62.752 63.100 0.019 0.000 0.795 216 P CB 1.035 32.751 31.700 0.027 0.000 1.006 217 T N -2.820 111.719 114.554 -0.025 0.000 2.985 217 T HA 0.027 4.377 4.350 0.000 0.000 0.266 217 T C 0.620 175.258 174.700 -0.103 0.000 1.076 217 T CA 0.820 62.893 62.100 -0.045 0.000 1.135 217 T CB -0.123 68.725 68.868 -0.033 0.000 0.890 217 T HN 0.337 nan 8.240 nan 0.000 0.480 218 E N 0.650 120.757 120.200 -0.156 0.000 2.212 218 E HA 0.333 4.683 4.350 0.000 0.000 0.268 218 E C 0.196 176.606 176.600 -0.316 0.000 0.902 218 E CA -0.728 55.463 56.400 -0.347 0.000 0.779 218 E CB 1.798 31.209 29.700 -0.482 0.000 1.172 218 E HN 0.035 nan 8.360 nan 0.000 0.409 219 K N 1.452 121.622 120.400 -0.384 0.000 2.504 219 K HA 0.043 4.364 4.320 0.000 0.000 0.195 219 K C 0.426 177.063 176.600 0.062 0.000 1.036 219 K CA 0.651 56.885 56.287 -0.088 0.000 0.984 219 K CB -0.196 32.349 32.500 0.076 0.000 0.788 219 K HN 0.320 nan 8.250 nan 0.000 0.488 220 F N -2.937 117.041 119.950 0.046 0.000 2.745 220 F HA 0.422 4.949 4.527 0.000 0.000 0.316 220 F C -1.099 174.786 175.800 0.140 0.000 1.155 220 F CA -2.005 56.037 58.000 0.070 0.000 0.937 220 F CB 0.617 39.628 39.000 0.018 0.000 1.361 220 F HN -0.217 nan 8.300 nan 0.000 0.472 221 Y N 1.737 122.204 120.300 0.279 0.000 2.326 221 Y HA 0.474 5.024 4.550 0.000 0.000 0.331 221 Y C -1.461 174.592 175.900 0.255 0.000 0.962 221 Y CA -1.832 56.376 58.100 0.181 0.000 1.167 221 Y CB 0.902 39.389 38.460 0.045 0.000 1.148 221 Y HN 0.689 nan 8.280 nan 0.000 0.463 222 Y N 8.114 128.174 120.300 -0.400 0.000 2.480 222 Y HA 0.197 4.748 4.550 0.000 0.000 0.341 222 Y C 1.203 176.598 175.900 -0.842 0.000 1.031 222 Y CA -0.712 57.147 58.100 -0.401 0.000 1.295 222 Y CB 0.516 38.888 38.460 -0.148 0.000 1.162 222 Y HN 0.733 nan 8.280 nan 0.000 0.523 223 I N 2.905 122.907 120.570 -0.948 0.000 2.151 223 I HA -0.345 3.825 4.170 0.000 0.000 0.243 223 I C 0.942 176.570 176.117 -0.814 0.000 1.080 223 I CA 1.638 62.440 61.300 -0.831 0.000 1.339 223 I CB -0.750 36.787 38.000 -0.770 0.000 1.039 223 I HN 0.533 nan 8.210 nan 0.000 0.409 224 Y N 1.133 120.933 120.300 -0.833 0.000 2.561 224 Y HA 0.060 4.611 4.550 0.001 0.000 0.291 224 Y C 1.131 176.891 175.900 -0.233 0.000 1.141 224 Y CA -0.162 57.662 58.100 -0.460 0.000 1.303 224 Y CB -0.869 37.347 38.460 -0.407 0.000 1.015 224 Y HN 0.272 nan 8.280 nan 0.000 0.547 225 N N 1.685 120.310 118.700 -0.125 0.000 2.434 225 N HA -0.100 4.640 4.740 0.000 0.000 0.268 225 N C 0.773 176.323 175.510 0.067 0.000 1.256 225 N CA 0.196 53.297 53.050 0.084 0.000 0.914 225 N CB 0.612 39.165 38.487 0.109 0.000 1.088 225 N HN 0.112 nan 8.380 nan 0.000 0.478 226 E N 2.889 123.142 120.200 0.089 0.000 2.511 226 E HA -0.001 4.349 4.350 0.000 0.000 0.196 226 E C 0.912 177.559 176.600 0.078 0.000 1.066 226 E CA 0.660 57.107 56.400 0.079 0.000 0.871 226 E CB 0.157 29.892 29.700 0.058 0.000 0.863 226 E HN 0.482 nan 8.360 nan 0.000 0.520 227 K N -0.093 120.363 120.400 0.092 0.000 2.155 227 K HA 0.057 4.378 4.320 0.000 0.000 0.203 227 K C 0.873 177.519 176.600 0.077 0.000 1.052 227 K CA 0.941 57.271 56.287 0.073 0.000 0.948 227 K CB -0.190 32.350 32.500 0.068 0.000 0.728 227 K HN 0.275 nan 8.250 nan 0.000 0.448 228 G N 0.960 109.865 108.800 0.176 0.000 2.710 228 G HA2 -0.236 3.724 3.960 0.000 0.000 0.668 228 G HA3 -0.236 3.724 3.960 0.000 0.000 0.668 228 G C -1.253 173.700 174.900 0.089 0.000 1.320 228 G CA -0.502 44.656 45.100 0.097 0.000 0.860 228 G HN 0.176 nan 8.290 nan 0.000 0.538 229 L N 1.282 122.367 121.223 -0.231 0.000 2.282 229 L HA 0.563 4.903 4.340 0.000 0.000 0.287 229 L C 0.669 177.455 176.870 -0.139 0.000 1.075 229 L CA -0.363 54.371 54.840 -0.178 0.000 0.839 229 L CB 0.111 41.947 42.059 -0.372 0.000 1.219 229 L HN 0.547 nan 8.230 nan 0.000 0.434 230 E N 3.667 123.847 120.200 -0.032 0.000 2.313 230 E HA 0.443 4.794 4.350 0.000 0.000 0.276 230 E C -0.937 175.689 176.600 0.045 0.000 1.031 230 E CA -0.545 55.855 56.400 0.000 0.000 0.857 230 E CB 1.807 31.508 29.700 0.002 0.000 1.040 230 E HN 0.359 nan 8.360 nan 0.000 0.408 231 V N 2.549 122.515 119.914 0.087 0.000 2.735 231 V HA 0.265 4.386 4.120 0.000 0.000 0.310 231 V C -0.327 175.799 176.094 0.053 0.000 1.061 231 V CA -0.839 61.516 62.300 0.092 0.000 0.913 231 V CB 2.371 34.291 31.823 0.162 0.000 1.005 231 V HN 0.704 nan 8.190 nan 0.000 0.428 232 T N 5.766 120.338 114.554 0.030 0.000 2.753 232 T HA 0.503 4.853 4.350 0.000 0.000 0.297 232 T C -0.189 174.518 174.700 0.011 0.000 0.981 232 T CA -0.268 61.844 62.100 0.019 0.000 0.956 232 T CB 0.378 69.254 68.868 0.013 0.000 0.936 232 T HN 0.284 nan 8.240 nan 0.000 0.463 233 I N 4.173 124.748 120.570 0.009 0.000 2.352 233 I HA 0.251 4.421 4.170 0.000 0.000 0.290 233 I C 0.584 176.702 176.117 0.002 0.000 1.036 233 I CA -0.163 61.138 61.300 0.001 0.000 1.336 233 I CB 0.418 38.417 38.000 -0.002 0.000 1.407 233 I HN 0.549 nan 8.210 nan 0.000 0.497 234 T N 5.987 120.543 114.554 0.004 0.000 2.812 234 T HA 0.745 5.096 4.350 0.000 0.000 0.282 234 T C -0.194 174.510 174.700 0.008 0.000 0.990 234 T CA -0.591 61.511 62.100 0.002 0.000 0.960 234 T CB 1.923 70.795 68.868 0.007 0.000 0.948 234 T HN 0.716 nan 8.240 nan 0.000 0.438 235 A N 3.833 126.646 122.820 -0.012 0.000 2.422 235 A HA 0.945 5.265 4.320 0.000 0.000 0.302 235 A C -0.676 176.862 177.584 -0.077 0.000 1.041 235 A CA -1.154 50.875 52.037 -0.013 0.000 0.708 235 A CB 1.322 20.297 19.000 -0.042 0.000 1.257 235 A HN 0.880 nan 8.150 nan 0.000 0.414 236 R N 0.704 121.173 120.500 -0.051 0.000 2.663 236 R HA 0.653 4.993 4.340 0.000 0.000 0.267 236 R C -1.347 174.915 176.300 -0.064 0.000 1.038 236 R CA -0.737 55.317 56.100 -0.076 0.000 0.886 236 R CB 0.293 30.582 30.300 -0.018 0.000 1.249 236 R HN 0.366 nan 8.270 nan 0.000 0.463 237 F N 1.048 120.904 119.950 -0.157 0.000 2.485 237 F HA 0.150 4.677 4.527 0.000 0.000 0.327 237 F C 1.672 177.362 175.800 -0.182 0.000 1.203 237 F CA -0.140 57.743 58.000 -0.195 0.000 1.295 237 F CB 0.490 39.134 39.000 -0.593 0.000 1.191 237 F HN 0.393 nan 8.300 nan 0.000 0.588 238 L N 1.159 122.469 121.223 0.145 0.000 2.549 238 L HA -0.178 4.162 4.340 0.000 0.000 0.229 238 L C 0.709 177.680 176.870 0.167 0.000 1.158 238 L CA 0.786 55.713 54.840 0.144 0.000 0.842 238 L CB -0.650 41.522 42.059 0.189 0.000 0.952 238 L HN 0.701 nan 8.230 nan 0.000 0.452 239 Y N -2.924 117.472 120.300 0.161 0.000 2.660 239 Y HA 0.598 5.148 4.550 0.000 0.000 0.254 239 Y C 1.053 177.003 175.900 0.084 0.000 1.176 239 Y CA -0.528 57.627 58.100 0.090 0.000 1.195 239 Y CB -0.258 38.234 38.460 0.054 0.000 1.190 239 Y HN -0.042 nan 8.280 nan 0.000 0.535 240 G N 1.249 109.981 108.800 -0.114 0.000 2.212 240 G HA2 -0.243 3.717 3.960 0.000 0.000 0.255 240 G HA3 -0.243 3.717 3.960 0.000 0.000 0.255 240 G C -0.272 174.575 174.900 -0.089 0.000 1.062 240 G CA -0.215 44.855 45.100 -0.050 0.000 0.815 240 G HN 0.258 nan 8.290 nan 0.000 0.497 241 K N 0.555 120.803 120.400 -0.253 0.000 2.183 241 K HA 0.350 4.670 4.320 0.000 0.000 0.274 241 K C 0.594 177.215 176.600 0.034 0.000 1.009 241 K CA -0.662 55.551 56.287 -0.125 0.000 0.888 241 K CB 0.719 33.032 32.500 -0.312 0.000 1.078 241 K HN 0.141 nan 8.250 nan 0.000 0.459 242 K N 2.565 122.982 120.400 0.028 0.000 2.368 242 K HA 0.127 4.447 4.320 0.000 0.000 0.282 242 K C -0.052 176.573 176.600 0.042 0.000 1.035 242 K CA -0.319 55.981 56.287 0.022 0.000 0.973 242 K CB 0.655 33.161 32.500 0.010 0.000 0.957 242 K HN 0.264 nan 8.250 nan 0.000 0.474 243 V N 2.912 122.800 119.914 -0.042 0.000 2.607 243 V HA 0.131 4.251 4.120 0.000 0.000 0.289 243 V C 0.595 176.635 176.094 -0.089 0.000 1.053 243 V CA -0.496 61.731 62.300 -0.121 0.000 0.996 243 V CB 1.163 32.665 31.823 -0.534 0.000 0.995 243 V HN 0.568 nan 8.190 nan 0.000 0.476 244 E N 2.465 122.642 120.200 -0.039 0.000 2.145 244 E HA 0.682 5.033 4.350 0.000 0.000 0.270 244 E C 0.183 176.737 176.600 -0.075 0.000 0.906 244 E CA 0.025 56.444 56.400 0.032 0.000 0.761 244 E CB 2.101 31.891 29.700 0.150 0.000 1.116 244 E HN 0.959 nan 8.360 nan 0.000 0.408 245 G N 1.612 110.232 108.800 -0.300 0.000 2.450 245 G HA2 0.373 4.333 3.960 0.000 0.000 0.273 245 G HA3 0.373 4.333 3.960 0.000 0.000 0.273 245 G C -1.156 173.337 174.900 -0.677 0.000 1.221 245 G CA -0.473 44.142 45.100 -0.808 0.000 0.900 245 G HN 0.326 nan 8.290 nan 0.000 0.483 246 T N -0.327 113.971 114.554 -0.427 0.000 2.893 246 T HA 0.780 5.131 4.350 0.000 0.000 0.293 246 T C -0.489 174.172 174.700 -0.064 0.000 1.027 246 T CA 0.083 62.073 62.100 -0.183 0.000 0.988 246 T CB 1.823 70.617 68.868 -0.124 0.000 1.043 246 T HN 1.625 nan 8.240 nan 0.000 0.461 247 A N 1.999 124.833 122.820 0.024 0.000 2.356 247 A HA 0.793 5.114 4.320 0.000 0.000 0.310 247 A C -1.325 176.407 177.584 0.245 0.000 1.075 247 A CA -0.735 51.357 52.037 0.092 0.000 0.746 247 A CB 0.949 19.977 19.000 0.047 0.000 1.221 247 A HN 0.897 nan 8.150 nan 0.000 0.443 248 F N 3.347 123.280 119.950 -0.029 0.000 2.332 248 F HA 0.481 5.008 4.527 0.000 0.000 0.368 248 F C 0.289 176.060 175.800 -0.049 0.000 1.110 248 F CA -0.728 57.256 58.000 -0.027 0.000 1.087 248 F CB 1.417 40.405 39.000 -0.020 0.000 1.235 248 F HN 0.573 nan 8.300 nan 0.000 0.470 249 V N 4.460 124.159 119.914 -0.358 0.000 2.612 249 V HA 0.690 4.810 4.120 0.000 0.000 0.301 249 V C -0.752 175.047 176.094 -0.491 0.000 1.046 249 V CA -0.860 61.213 62.300 -0.377 0.000 0.946 249 V CB 1.962 33.609 31.823 -0.293 0.000 1.003 249 V HN 0.712 nan 8.190 nan 0.000 0.459 250 I N 2.739 123.040 120.570 -0.449 0.000 2.680 250 I HA 0.618 4.788 4.170 0.000 0.000 0.291 250 I C -1.513 174.384 176.117 -0.366 0.000 1.244 250 I CA -0.401 60.709 61.300 -0.317 0.000 1.042 250 I CB 1.792 39.660 38.000 -0.221 0.000 1.277 250 I HN 0.674 nan 8.210 nan 0.000 0.423 251 F N 5.021 124.841 119.950 -0.217 0.000 2.432 251 F HA 0.875 5.402 4.527 0.001 0.000 0.329 251 F C 0.835 176.368 175.800 -0.444 0.000 1.076 251 F CA -0.310 57.503 58.000 -0.311 0.000 1.018 251 F CB 2.092 40.927 39.000 -0.275 0.000 1.201 251 F HN 0.438 nan 8.300 nan 0.000 0.489 252 G N 1.483 109.876 108.800 -0.679 0.000 2.698 252 G HA2 0.646 4.606 3.960 0.000 0.000 0.293 252 G HA3 0.646 4.606 3.960 0.000 0.000 0.293 252 G C -1.873 172.499 174.900 -0.880 0.000 1.437 252 G CA -0.783 43.792 45.100 -0.875 0.000 0.852 252 G HN 0.526 nan 8.290 nan 0.000 0.499 253 I N 0.657 121.059 120.570 -0.280 0.000 2.354 253 I HA 0.343 4.513 4.170 0.000 0.000 0.292 253 I C 0.179 176.416 176.117 0.200 0.000 0.989 253 I CA -0.539 60.736 61.300 -0.042 0.000 1.188 253 I CB 1.996 39.979 38.000 -0.028 0.000 1.342 253 I HN 0.376 nan 8.210 nan 0.000 0.457 254 Q N 4.726 124.687 119.800 0.269 0.000 2.303 254 Q HA 0.177 4.517 4.340 0.000 0.000 0.257 254 Q C -1.060 175.011 176.000 0.119 0.000 0.941 254 Q CA -0.503 55.443 55.803 0.238 0.000 0.931 254 Q CB 1.201 30.077 28.738 0.230 0.000 1.215 254 Q HN 0.515 nan 8.270 nan 0.000 0.437 255 D N 3.413 123.864 120.400 0.085 0.000 2.505 255 D HA 0.329 4.969 4.640 0.000 0.000 0.242 255 D C 0.816 177.140 176.300 0.039 0.000 1.136 255 D CA 0.954 54.986 54.000 0.053 0.000 0.954 255 D CB 0.070 40.895 40.800 0.043 0.000 1.002 255 D HN 0.820 nan 8.370 nan 0.000 0.512 256 G N 4.217 113.041 108.800 0.040 0.000 5.431 256 G HA2 -0.394 3.567 3.960 0.000 0.000 0.322 256 G HA3 -0.394 3.567 3.960 0.000 0.000 0.322 256 G C 0.659 175.571 174.900 0.021 0.000 1.370 256 G CA 0.943 46.061 45.100 0.029 0.000 0.963 256 G HN 0.576 nan 8.290 nan 0.000 0.797 257 E N -0.562 119.646 120.200 0.013 0.000 2.862 257 E HA 0.465 4.815 4.350 0.000 0.000 0.204 257 E C 0.273 176.869 176.600 -0.006 0.000 0.966 257 E CA -0.036 56.362 56.400 -0.003 0.000 1.257 257 E CB 0.281 29.977 29.700 -0.007 0.000 1.053 257 E HN 0.464 nan 8.360 nan 0.000 0.487 258 Q N 1.449 121.255 119.800 0.010 0.000 2.333 258 Q HA 0.465 4.805 4.340 0.000 0.000 0.267 258 Q C -0.955 175.069 176.000 0.041 0.000 1.012 258 Q CA -0.526 55.286 55.803 0.015 0.000 0.824 258 Q CB 1.398 30.146 28.738 0.018 0.000 1.290 258 Q HN 0.216 nan 8.270 nan 0.000 0.449 259 R N 3.357 123.881 120.500 0.040 0.000 2.445 259 R HA 0.552 4.893 4.340 0.000 0.000 0.308 259 R C -0.417 175.966 176.300 0.139 0.000 0.961 259 R CA -0.765 55.402 56.100 0.111 0.000 0.862 259 R CB 1.273 31.567 30.300 -0.010 0.000 1.144 259 R HN 0.464 nan 8.270 nan 0.000 0.447 260 I N 2.124 122.806 120.570 0.185 0.000 2.390 260 I HA 0.117 4.287 4.170 0.000 0.000 0.283 260 I C 0.368 176.549 176.117 0.106 0.000 1.016 260 I CA -0.354 61.012 61.300 0.110 0.000 1.151 260 I CB 1.303 39.337 38.000 0.058 0.000 1.293 260 I HN 0.495 nan 8.210 nan 0.000 0.458 261 S N 7.436 123.200 115.700 0.107 0.000 2.505 261 S HA 0.460 4.930 4.470 0.000 0.000 0.276 261 S C -0.141 174.463 174.600 0.007 0.000 1.274 261 S CA -0.458 57.785 58.200 0.072 0.000 1.053 261 S CB 0.198 63.451 63.200 0.089 0.000 0.919 261 S HN 0.432 nan 8.310 nan 0.000 0.490 262 L N 8.236 129.438 121.223 -0.035 0.000 2.268 262 L HA 0.353 4.694 4.340 0.000 0.000 0.289 262 L C -1.304 175.551 176.870 -0.025 0.000 1.064 262 L CA -1.695 53.123 54.840 -0.038 0.000 0.824 262 L CB 0.981 43.000 42.059 -0.066 0.000 1.202 262 L HN 0.569 nan 8.230 nan 0.000 0.433 263 P HA -0.124 nan 4.420 nan 0.000 0.225 263 P C 0.881 178.174 177.300 -0.012 0.000 1.156 263 P CA 0.858 63.954 63.100 -0.007 0.000 0.787 263 P CB 0.495 32.198 31.700 0.005 0.000 0.802 264 E N 0.315 120.504 120.200 -0.018 0.000 2.489 264 E HA 0.016 4.366 4.350 0.000 0.000 0.193 264 E C 1.355 177.938 176.600 -0.028 0.000 1.057 264 E CA 0.302 56.690 56.400 -0.019 0.000 0.866 264 E CB 0.092 29.779 29.700 -0.022 0.000 0.916 264 E HN 0.257 nan 8.360 nan 0.000 0.500 265 S N -0.190 115.494 115.700 -0.027 0.000 2.575 265 S HA 0.051 4.521 4.470 0.000 0.000 0.215 265 S C 0.764 175.368 174.600 0.006 0.000 0.966 265 S CA -0.472 57.727 58.200 -0.000 0.000 0.911 265 S CB -0.060 63.170 63.200 0.049 0.000 0.780 265 S HN 0.075 nan 8.310 nan 0.000 0.514 266 L N 3.118 124.296 121.223 -0.075 0.000 2.433 266 L HA 0.420 4.760 4.340 0.000 0.000 0.275 266 L C -0.415 176.332 176.870 -0.206 0.000 1.128 266 L CA 0.548 55.251 54.840 -0.228 0.000 0.875 266 L CB -0.016 41.914 42.059 -0.215 0.000 1.171 266 L HN 0.137 nan 8.230 nan 0.000 0.463 267 K N 4.693 124.915 120.400 -0.296 0.000 2.422 267 K HA 0.484 4.804 4.320 0.000 0.000 0.251 267 K C -1.032 175.552 176.600 -0.026 0.000 0.933 267 K CA -0.986 55.246 56.287 -0.091 0.000 0.798 267 K CB 2.542 35.038 32.500 -0.007 0.000 1.238 267 K HN 0.491 nan 8.250 nan 0.000 0.428 268 R N 3.523 124.166 120.500 0.238 0.000 2.288 268 R HA 0.364 4.704 4.340 0.000 0.000 0.326 268 R C -0.752 175.658 176.300 0.183 0.000 0.959 268 R CA -0.455 55.871 56.100 0.377 0.000 0.834 268 R CB 0.108 30.671 30.300 0.439 0.000 1.157 268 R HN 0.651 nan 8.270 nan 0.000 0.470 269 I N 1.301 121.959 120.570 0.147 0.000 2.562 269 I HA 0.717 4.887 4.170 0.000 0.000 0.301 269 I C -2.496 173.662 176.117 0.069 0.000 1.003 269 I CA -2.935 58.418 61.300 0.087 0.000 1.127 269 I CB 2.055 40.093 38.000 0.062 0.000 1.304 269 I HN 0.485 nan 8.210 nan 0.000 0.446 270 P HA 0.312 nan 4.420 nan 0.000 0.282 270 P C -0.868 176.448 177.300 0.027 0.000 1.249 270 P CA -0.194 62.937 63.100 0.052 0.000 0.806 270 P CB 1.202 32.950 31.700 0.079 0.000 0.984 271 I N 3.021 123.587 120.570 -0.007 0.000 2.297 271 I HA 0.249 4.419 4.170 0.000 0.000 0.291 271 I C 0.716 176.839 176.117 0.010 0.000 1.033 271 I CA -0.189 61.096 61.300 -0.024 0.000 1.253 271 I CB 0.224 38.172 38.000 -0.087 0.000 1.396 271 I HN 0.248 nan 8.210 nan 0.000 0.476 272 E N 4.972 125.182 120.200 0.017 0.000 2.158 272 E HA 0.192 4.542 4.350 0.000 0.000 0.271 272 E C -0.647 175.959 176.600 0.011 0.000 0.911 272 E CA -0.617 55.799 56.400 0.026 0.000 0.767 272 E CB 1.494 31.211 29.700 0.029 0.000 1.120 272 E HN 0.379 nan 8.360 nan 0.000 0.405 273 D N 1.971 122.378 120.400 0.012 0.000 2.740 273 D HA -0.187 4.453 4.640 0.000 0.000 0.231 273 D C 0.909 177.205 176.300 -0.006 0.000 1.194 273 D CA 1.632 55.636 54.000 0.006 0.000 0.673 273 D CB -1.093 39.712 40.800 0.010 0.000 0.995 273 D HN 0.939 nan 8.370 nan 0.000 0.411 274 G N -0.718 108.067 108.800 -0.025 0.000 2.187 274 G HA2 -0.299 3.661 3.960 0.000 0.000 0.261 274 G HA3 -0.299 3.661 3.960 0.000 0.000 0.261 274 G C 0.318 175.202 174.900 -0.027 0.000 1.000 274 G CA 0.774 45.848 45.100 -0.043 0.000 0.718 274 G HN 0.899 nan 8.290 nan 0.000 0.519 275 S N -0.764 114.927 115.700 -0.016 0.000 2.594 275 S HA 0.788 5.258 4.470 0.000 0.000 0.296 275 S C 0.177 174.777 174.600 -0.001 0.000 1.124 275 S CA 0.535 58.732 58.200 -0.005 0.000 1.011 275 S CB 1.528 64.730 63.200 0.002 0.000 1.016 275 S HN 1.534 nan 8.310 nan 0.000 0.485 276 G N 2.061 110.863 108.800 0.003 0.000 2.642 276 G HA2 0.679 4.639 3.960 0.000 0.000 0.293 276 G HA3 0.679 4.639 3.960 0.000 0.000 0.293 276 G C -1.815 173.095 174.900 0.016 0.000 1.341 276 G CA -0.563 44.543 45.100 0.010 0.000 0.916 276 G HN 0.581 nan 8.290 nan 0.000 0.474 277 E N -0.965 119.250 120.200 0.024 0.000 2.308 277 E HA 0.657 5.007 4.350 0.000 0.000 0.275 277 E C -1.526 175.098 176.600 0.040 0.000 0.890 277 E CA -0.550 55.867 56.400 0.029 0.000 0.754 277 E CB 2.711 32.425 29.700 0.024 0.000 1.207 277 E HN 0.581 nan 8.360 nan 0.000 0.426 278 V N 3.711 123.659 119.914 0.057 0.000 3.178 278 V HA 0.687 4.807 4.120 0.000 0.000 0.302 278 V C -1.692 174.455 176.094 0.087 0.000 1.262 278 V CA -0.571 61.778 62.300 0.082 0.000 1.030 278 V CB 2.417 34.309 31.823 0.115 0.000 1.074 278 V HN 0.536 nan 8.190 nan 0.000 0.438 279 V N 4.719 124.659 119.914 0.042 0.000 2.686 279 V HA 0.513 4.633 4.120 0.000 0.000 0.306 279 V C -0.746 175.191 176.094 -0.262 0.000 1.065 279 V CA -0.643 61.610 62.300 -0.079 0.000 0.894 279 V CB 1.680 33.459 31.823 -0.072 0.000 1.004 279 V HN 0.770 nan 8.190 nan 0.000 0.424 280 L N 5.281 126.114 121.223 -0.650 0.000 2.257 280 L HA 0.629 4.969 4.340 0.000 0.000 0.290 280 L C 0.638 177.199 176.870 -0.514 0.000 1.044 280 L CA 0.471 54.783 54.840 -0.880 0.000 0.810 280 L CB 1.312 42.318 42.059 -1.755 0.000 1.193 280 L HN 0.841 nan 8.230 nan 0.000 0.425 281 S N 3.996 119.498 115.700 -0.330 0.000 2.592 281 S HA 0.296 4.766 4.470 0.000 0.000 0.271 281 S C 1.122 175.594 174.600 -0.214 0.000 1.326 281 S CA -0.390 57.685 58.200 -0.208 0.000 1.024 281 S CB 1.094 64.219 63.200 -0.126 0.000 0.921 281 S HN 0.845 nan 8.310 nan 0.000 0.527 282 R N 0.921 121.352 120.500 -0.116 0.000 2.096 282 R HA -0.124 4.216 4.340 0.000 0.000 0.235 282 R C 2.090 178.346 176.300 -0.073 0.000 1.127 282 R CA 1.586 57.647 56.100 -0.066 0.000 0.968 282 R CB -0.370 29.960 30.300 0.051 0.000 0.861 282 R HN 0.754 nan 8.270 nan 0.000 0.440 283 K N 0.250 120.613 120.400 -0.062 0.000 2.015 283 K HA -0.144 4.177 4.320 0.000 0.000 0.216 283 K C 1.699 178.257 176.600 -0.069 0.000 1.052 283 K CA 2.312 58.567 56.287 -0.053 0.000 0.937 283 K CB -0.569 31.905 32.500 -0.043 0.000 0.719 283 K HN 0.098 nan 8.250 nan 0.000 0.446 284 V N 0.939 120.797 119.914 -0.094 0.000 2.667 284 V HA -0.126 3.994 4.120 0.000 0.000 0.252 284 V C 2.258 178.281 176.094 -0.118 0.000 1.065 284 V CA 1.345 63.586 62.300 -0.098 0.000 1.083 284 V CB -0.523 31.234 31.823 -0.109 0.000 0.692 284 V HN 0.316 nan 8.190 nan 0.000 0.468 285 L N 0.131 121.260 121.223 -0.157 0.000 2.017 285 L HA -0.103 4.237 4.340 0.000 0.000 0.208 285 L C 2.076 178.881 176.870 -0.109 0.000 1.073 285 L CA 2.003 56.741 54.840 -0.169 0.000 0.745 285 L CB -0.471 41.445 42.059 -0.238 0.000 0.894 285 L HN 0.233 nan 8.230 nan 0.000 0.432 286 L N -0.737 120.436 121.223 -0.084 0.000 2.552 286 L HA -0.046 4.294 4.340 0.000 0.000 0.227 286 L C 1.050 177.891 176.870 -0.048 0.000 1.146 286 L CA 0.241 55.045 54.840 -0.060 0.000 0.858 286 L CB -0.520 41.509 42.059 -0.049 0.000 0.969 286 L HN 0.204 nan 8.230 nan 0.000 0.451 287 D N -0.063 120.306 120.400 -0.052 0.000 2.339 287 D HA 0.030 4.670 4.640 0.000 0.000 0.217 287 D C 1.761 178.039 176.300 -0.038 0.000 1.050 287 D CA 0.406 54.383 54.000 -0.039 0.000 0.856 287 D CB 0.369 41.146 40.800 -0.037 0.000 0.922 287 D HN 0.193 nan 8.370 nan 0.000 0.518 288 G N 0.058 108.830 108.800 -0.047 0.000 3.434 288 G HA2 0.221 4.181 3.960 0.000 0.000 0.258 288 G HA3 0.221 4.181 3.960 0.000 0.000 0.258 288 G C 0.168 175.049 174.900 -0.031 0.000 1.128 288 G CA -0.088 44.987 45.100 -0.042 0.000 0.792 288 G HN 0.105 nan 8.290 nan 0.000 0.539 289 V N -0.401 119.496 119.914 -0.028 0.000 2.732 289 V HA 0.392 4.512 4.120 0.000 0.000 0.310 289 V C 0.666 176.752 176.094 -0.014 0.000 1.053 289 V CA -0.393 61.893 62.300 -0.024 0.000 0.957 289 V CB 2.187 33.992 31.823 -0.031 0.000 1.018 289 V HN 0.317 nan 8.190 nan 0.000 0.452 290 Q N 1.686 121.479 119.800 -0.011 0.000 2.390 290 Q HA 0.285 4.625 4.340 0.000 0.000 0.216 290 Q C 0.249 176.246 176.000 -0.005 0.000 0.916 290 Q CA 0.629 56.429 55.803 -0.004 0.000 0.911 290 Q CB 0.325 29.064 28.738 0.000 0.000 1.035 290 Q HN 0.831 nan 8.270 nan 0.000 0.541 291 N N 0.619 119.314 118.700 -0.009 0.000 2.765 291 N HA 0.197 4.937 4.740 0.000 0.000 0.277 291 N C -0.714 174.787 175.510 -0.015 0.000 1.750 291 N CA -0.171 52.873 53.050 -0.009 0.000 0.827 291 N CB 1.052 39.534 38.487 -0.007 0.000 1.200 291 N HN 0.096 nan 8.380 nan 0.000 0.494 292 L N 1.225 122.439 121.223 -0.016 0.000 2.788 292 L HA -0.229 4.111 4.340 0.000 0.000 0.337 292 L C 0.899 177.758 176.870 -0.018 0.000 1.269 292 L CA 1.250 56.079 54.840 -0.018 0.000 0.842 292 L CB 0.054 42.105 42.059 -0.013 0.000 1.070 292 L HN 0.709 nan 8.230 nan 0.000 0.559 293 R N 0.948 121.434 120.500 -0.022 0.000 0.975 293 R HA -0.123 4.217 4.340 0.000 0.000 0.433 293 R C 0.271 176.547 176.300 -0.040 0.000 1.357 293 R CA 0.334 56.422 56.100 -0.020 0.000 0.946 293 R CB -0.789 29.505 30.300 -0.009 0.000 2.999 293 R HN 0.812 nan 8.270 nan 0.000 0.525 294 A N 3.686 126.472 122.820 -0.057 0.000 1.929 294 A HA -0.106 4.215 4.320 0.000 0.000 0.216 294 A C 1.414 178.911 177.584 -0.144 0.000 1.176 294 A CA 1.701 53.655 52.037 -0.138 0.000 0.628 294 A CB -0.219 18.629 19.000 -0.254 0.000 0.816 294 A HN 0.755 nan 8.150 nan 0.000 0.444 295 E N 0.733 120.887 120.200 -0.078 0.000 2.274 295 E HA -0.086 4.264 4.350 0.000 0.000 0.194 295 E C 1.034 177.610 176.600 -0.039 0.000 0.996 295 E CA 0.877 57.246 56.400 -0.051 0.000 0.840 295 E CB -0.168 29.536 29.700 0.006 0.000 0.772 295 E HN 0.522 nan 8.360 nan 0.000 0.491 296 D N -0.178 120.202 120.400 -0.034 0.000 2.350 296 D HA -0.076 4.564 4.640 0.000 0.000 0.216 296 D C 1.348 177.634 176.300 -0.022 0.000 0.968 296 D CA 0.640 54.628 54.000 -0.021 0.000 0.894 296 D CB 0.220 41.010 40.800 -0.016 0.000 0.909 296 D HN 0.271 nan 8.370 nan 0.000 0.520 297 L N 0.196 121.397 121.223 -0.038 0.000 2.416 297 L HA 0.056 4.396 4.340 0.000 0.000 0.216 297 L C 0.616 177.475 176.870 -0.018 0.000 1.098 297 L CA 0.007 54.831 54.840 -0.028 0.000 0.840 297 L CB 0.327 42.363 42.059 -0.039 0.000 0.981 297 L HN -0.243 nan 8.230 nan 0.000 0.462 298 V N 1.691 121.585 119.914 -0.034 0.000 2.475 298 V HA 0.201 4.321 4.120 0.000 0.000 0.292 298 V C 1.312 177.407 176.094 0.002 0.000 1.003 298 V CA 1.202 63.490 62.300 -0.019 0.000 1.120 298 V CB -0.191 31.617 31.823 -0.025 0.000 0.937 298 V HN 0.635 nan 8.190 nan 0.000 0.476 299 G N 4.153 112.962 108.800 0.015 0.000 2.259 299 G HA2 -0.184 3.776 3.960 0.000 0.000 0.217 299 G HA3 -0.184 3.776 3.960 0.000 0.000 0.217 299 G C 0.309 175.230 174.900 0.034 0.000 1.001 299 G CA -0.077 45.037 45.100 0.023 0.000 0.627 299 G HN 0.579 nan 8.290 nan 0.000 0.501 300 K N 1.027 121.448 120.400 0.034 0.000 2.107 300 K HA 0.605 4.925 4.320 0.000 0.000 0.251 300 K C 0.341 176.979 176.600 0.063 0.000 1.012 300 K CA 0.376 56.690 56.287 0.045 0.000 0.920 300 K CB 1.116 33.636 32.500 0.034 0.000 1.033 300 K HN 0.468 nan 8.250 nan 0.000 0.478 301 S N 0.701 116.449 115.700 0.081 0.000 2.542 301 S HA 0.559 5.029 4.470 0.000 0.000 0.293 301 S C -0.550 174.118 174.600 0.113 0.000 1.089 301 S CA -1.049 57.213 58.200 0.103 0.000 0.961 301 S CB 0.981 64.248 63.200 0.112 0.000 1.062 301 S HN 0.372 nan 8.310 nan 0.000 0.483 302 L N 1.853 123.136 121.223 0.100 0.000 2.358 302 L HA 0.719 5.060 4.340 0.000 0.000 0.268 302 L C -0.859 176.096 176.870 0.142 0.000 1.032 302 L CA -1.069 53.798 54.840 0.045 0.000 0.805 302 L CB 1.194 43.252 42.059 -0.001 0.000 1.253 302 L HN 0.921 nan 8.230 nan 0.000 0.452 303 Y N -0.834 119.501 120.300 0.059 0.000 2.562 303 Y HA 0.819 5.369 4.550 0.001 0.000 0.345 303 Y C -1.213 174.653 175.900 -0.057 0.000 1.045 303 Y CA -1.401 56.704 58.100 0.008 0.000 1.028 303 Y CB 1.038 39.489 38.460 -0.015 0.000 1.297 303 Y HN 0.147 nan 8.280 nan 0.000 0.463 304 V N 0.986 120.911 119.914 0.017 0.000 2.715 304 V HA 0.691 4.812 4.120 0.000 0.000 0.310 304 V C -0.518 175.503 176.094 -0.121 0.000 1.054 304 V CA -0.855 61.267 62.300 -0.298 0.000 0.928 304 V CB 1.675 33.237 31.823 -0.433 0.000 1.007 304 V HN 0.841 nan 8.190 nan 0.000 0.437 305 S N 2.167 117.750 115.700 -0.195 0.000 2.596 305 S HA 0.776 5.247 4.470 0.000 0.000 0.318 305 S C -0.171 174.341 174.600 -0.147 0.000 1.097 305 S CA -0.377 57.759 58.200 -0.106 0.000 1.080 305 S CB 1.455 64.634 63.200 -0.035 0.000 0.991 305 S HN 1.156 nan 8.310 nan 0.000 0.471 306 A N 3.166 125.928 122.820 -0.095 0.000 2.287 306 A HA 0.709 5.029 4.320 0.000 0.000 0.317 306 A C -0.151 177.429 177.584 -0.006 0.000 1.220 306 A CA -0.580 51.419 52.037 -0.063 0.000 0.835 306 A CB 0.611 19.575 19.000 -0.060 0.000 1.180 306 A HN 0.560 nan 8.150 nan 0.000 0.500 307 T N 2.455 117.038 114.554 0.048 0.000 2.772 307 T HA 0.466 4.816 4.350 0.000 0.000 0.288 307 T C -0.487 174.268 174.700 0.092 0.000 0.994 307 T CA -0.215 61.928 62.100 0.072 0.000 0.951 307 T CB 0.938 69.872 68.868 0.111 0.000 0.933 307 T HN 0.387 nan 8.240 nan 0.000 0.447 308 V N 5.804 125.774 119.914 0.093 0.000 2.328 308 V HA 0.441 4.561 4.120 0.000 0.000 0.278 308 V C -0.025 176.165 176.094 0.160 0.000 1.021 308 V CA -0.742 61.632 62.300 0.124 0.000 0.838 308 V CB 0.765 32.705 31.823 0.195 0.000 0.999 308 V HN 0.802 nan 8.190 nan 0.000 0.447 309 I N 5.345 125.943 120.570 0.047 0.000 2.336 309 I HA 0.348 4.518 4.170 0.000 0.000 0.292 309 I C 0.165 176.239 176.117 -0.072 0.000 0.991 309 I CA -0.413 60.901 61.300 0.023 0.000 1.227 309 I CB 1.580 39.571 38.000 -0.015 0.000 1.366 309 I HN 0.441 nan 8.210 nan 0.000 0.466 310 L N 5.477 126.686 121.223 -0.023 0.000 2.473 310 L HA 0.049 4.389 4.340 0.000 0.000 0.268 310 L C 1.237 178.071 176.870 -0.060 0.000 1.215 310 L CA 0.454 55.236 54.840 -0.095 0.000 0.823 310 L CB 0.505 42.570 42.059 0.009 0.000 1.099 310 L HN 0.642 nan 8.230 nan 0.000 0.483 311 H N -0.509 118.553 119.070 -0.013 0.000 2.448 311 H HA -0.058 4.499 4.556 0.001 0.000 0.292 311 H C 1.772 177.112 175.328 0.020 0.000 1.035 311 H CA 1.076 57.125 56.048 0.002 0.000 1.349 311 H CB 0.477 30.237 29.762 -0.004 0.000 1.425 311 H HN 0.715 nan 8.280 nan 0.000 0.539 312 S N -0.293 115.502 115.700 0.158 0.000 2.311 312 S HA 0.013 4.483 4.470 0.000 0.000 0.209 312 S C 1.475 176.135 174.600 0.101 0.000 1.029 312 S CA 0.645 58.914 58.200 0.115 0.000 0.968 312 S CB -0.397 62.872 63.200 0.115 0.000 0.946 312 S HN 0.467 nan 8.310 nan 0.000 0.450 313 G N 0.769 109.636 108.800 0.111 0.000 2.537 313 G HA2 0.414 4.374 3.960 0.000 0.000 0.297 313 G HA3 0.414 4.374 3.960 0.000 0.000 0.297 313 G C 0.666 175.618 174.900 0.087 0.000 1.310 313 G CA 0.121 45.281 45.100 0.100 0.000 1.027 313 G HN 0.419 nan 8.290 nan 0.000 0.505 314 S N -0.855 114.891 115.700 0.076 0.000 2.593 314 S HA 0.080 4.550 4.470 0.000 0.000 0.217 314 S C 0.313 174.955 174.600 0.070 0.000 0.966 314 S CA -0.185 58.052 58.200 0.061 0.000 0.914 314 S CB -0.176 63.052 63.200 0.046 0.000 0.776 314 S HN 0.530 nan 8.310 nan 0.000 0.523 315 D N 2.411 122.872 120.400 0.101 0.000 2.506 315 D HA 0.109 4.750 4.640 0.000 0.000 0.234 315 D C -0.089 176.296 176.300 0.143 0.000 1.143 315 D CA 0.861 54.930 54.000 0.115 0.000 0.871 315 D CB 0.386 41.292 40.800 0.177 0.000 1.190 315 D HN 0.366 nan 8.370 nan 0.000 0.459 316 M N 1.630 121.254 119.600 0.039 0.000 2.294 316 M HA 0.251 4.732 4.480 0.000 0.000 0.280 316 M C -2.365 173.832 176.300 -0.172 0.000 1.085 316 M CA -0.637 54.671 55.300 0.013 0.000 0.969 316 M CB 1.952 34.562 32.600 0.017 0.000 1.770 316 M HN 0.070 nan 8.290 nan 0.000 0.485 317 V N 4.071 123.824 119.914 -0.269 0.000 2.628 317 V HA 0.522 4.642 4.120 0.000 0.000 0.306 317 V C -0.532 175.473 176.094 -0.147 0.000 1.045 317 V CA -0.587 61.497 62.300 -0.360 0.000 0.905 317 V CB 2.140 33.507 31.823 -0.759 0.000 0.997 317 V HN 0.882 nan 8.190 nan 0.000 0.436 318 Q N 1.616 121.342 119.800 -0.124 0.000 2.306 318 Q HA 0.842 5.182 4.340 0.000 0.000 0.265 318 Q C -0.706 175.252 176.000 -0.071 0.000 1.022 318 Q CA -0.614 55.148 55.803 -0.068 0.000 0.853 318 Q CB 2.371 31.078 28.738 -0.051 0.000 1.327 318 Q HN 0.952 nan 8.270 nan 0.000 0.449 319 A N 1.959 124.749 122.820 -0.050 0.000 2.488 319 A HA 0.550 4.870 4.320 0.000 0.000 0.298 319 A C -1.605 175.952 177.584 -0.046 0.000 1.044 319 A CA -0.532 51.476 52.037 -0.048 0.000 0.693 319 A CB 1.772 20.749 19.000 -0.038 0.000 1.272 319 A HN 0.719 nan 8.150 nan 0.000 0.402 320 E N 0.943 121.118 120.200 -0.041 0.000 2.241 320 E HA 0.561 4.912 4.350 0.000 0.000 0.263 320 E C -0.889 175.700 176.600 -0.019 0.000 0.882 320 E CA -0.663 55.718 56.400 -0.033 0.000 0.769 320 E CB 1.286 30.962 29.700 -0.041 0.000 1.185 320 E HN 0.550 nan 8.360 nan 0.000 0.415 321 R N 2.765 123.261 120.500 -0.006 0.000 2.288 321 R HA 0.372 4.713 4.340 0.000 0.000 0.326 321 R C -1.224 175.113 176.300 0.062 0.000 0.959 321 R CA -0.196 55.914 56.100 0.017 0.000 0.834 321 R CB 0.938 31.245 30.300 0.012 0.000 1.157 321 R HN 0.542 nan 8.270 nan 0.000 0.470 322 S N 1.815 117.553 115.700 0.064 0.000 2.726 322 S HA 0.733 5.203 4.470 0.000 0.000 0.308 322 S C 0.595 175.251 174.600 0.093 0.000 1.115 322 S CA -0.422 57.845 58.200 0.111 0.000 0.965 322 S CB 1.680 64.913 63.200 0.056 0.000 1.145 322 S HN 0.990 nan 8.310 nan 0.000 0.532 323 G N -0.019 108.850 108.800 0.114 0.000 2.143 323 G HA2 -0.216 3.745 3.960 0.000 0.000 0.248 323 G HA3 -0.216 3.745 3.960 0.000 0.000 0.248 323 G C -0.112 174.852 174.900 0.106 0.000 0.991 323 G CA 0.056 45.214 45.100 0.097 0.000 0.689 323 G HN 0.817 nan 8.290 nan 0.000 0.522 324 I N 2.025 122.667 120.570 0.120 0.000 2.483 324 I HA 0.189 4.359 4.170 0.000 0.000 0.291 324 I C -1.838 174.363 176.117 0.142 0.000 1.112 324 I CA -1.685 59.691 61.300 0.128 0.000 1.350 324 I CB 0.681 38.754 38.000 0.122 0.000 1.419 324 I HN -0.085 nan 8.210 nan 0.000 0.523 325 P HA 0.232 nan 4.420 nan 0.000 0.282 325 P C -0.320 177.080 177.300 0.167 0.000 1.262 325 P CA -0.174 63.009 63.100 0.138 0.000 0.773 325 P CB 0.568 32.339 31.700 0.118 0.000 0.879 326 I N 4.109 124.757 120.570 0.131 0.000 2.396 326 I HA 0.214 4.384 4.170 0.000 0.000 0.289 326 I C 0.546 176.701 176.117 0.063 0.000 1.056 326 I CA -0.218 61.160 61.300 0.130 0.000 1.365 326 I CB 0.498 38.559 38.000 0.101 0.000 1.407 326 I HN 0.151 nan 8.210 nan 0.000 0.509 327 V N 1.641 121.582 119.914 0.046 0.000 3.078 327 V HA 0.496 4.617 4.120 0.000 0.000 0.311 327 V C 0.285 176.390 176.094 0.018 0.000 1.138 327 V CA -0.553 61.745 62.300 -0.004 0.000 1.007 327 V CB 1.498 33.269 31.823 -0.086 0.000 1.045 327 V HN 0.711 nan 8.190 nan 0.000 0.432 328 T N -0.191 114.385 114.554 0.037 0.000 3.044 328 T HA 0.164 4.515 4.350 0.000 0.000 0.255 328 T C 0.810 175.595 174.700 0.141 0.000 1.073 328 T CA 0.956 63.147 62.100 0.151 0.000 1.125 328 T CB 0.167 69.113 68.868 0.129 0.000 0.908 328 T HN 0.713 nan 8.240 nan 0.000 0.480 329 S N 1.462 117.153 115.700 -0.015 0.000 2.519 329 S HA 0.439 4.909 4.470 0.000 0.000 0.309 329 S C -2.325 172.073 174.600 -0.337 0.000 1.100 329 S CA -1.660 56.470 58.200 -0.118 0.000 1.059 329 S CB 1.643 64.810 63.200 -0.056 0.000 1.008 329 S HN -0.086 nan 8.310 nan 0.000 0.478 330 P HA 0.090 nan 4.420 nan 0.000 0.234 330 P C -0.928 175.755 177.300 -1.028 0.000 1.167 330 P CA 0.874 63.231 63.100 -1.239 0.000 0.763 330 P CB 0.016 30.947 31.700 -1.281 0.000 0.835 331 Y N -1.198 118.930 120.300 -0.287 0.000 2.536 331 Y HA 0.483 5.033 4.550 0.000 0.000 0.347 331 Y C 0.745 176.548 175.900 -0.161 0.000 1.000 331 Y CA -0.968 57.019 58.100 -0.188 0.000 1.051 331 Y CB 1.408 39.779 38.460 -0.149 0.000 1.259 331 Y HN -0.272 nan 8.280 nan 0.000 0.468 332 Q N 1.566 121.388 119.800 0.036 0.000 2.297 332 Q HA 0.769 5.109 4.340 0.000 0.000 0.269 332 Q C -1.413 174.511 176.000 -0.127 0.000 1.051 332 Q CA -1.001 54.761 55.803 -0.068 0.000 0.869 332 Q CB 2.924 31.640 28.738 -0.037 0.000 1.346 332 Q HN 0.554 nan 8.270 nan 0.000 0.457 333 I N 0.926 121.325 120.570 -0.284 0.000 2.499 333 I HA 0.336 4.506 4.170 0.000 0.000 0.288 333 I C -1.215 174.570 176.117 -0.554 0.000 1.048 333 I CA -0.543 60.557 61.300 -0.334 0.000 1.062 333 I CB 1.657 39.476 38.000 -0.301 0.000 1.238 333 I HN 0.570 nan 8.210 nan 0.000 0.426 334 H N 4.928 123.820 119.070 -0.297 0.000 2.622 334 H HA 0.477 5.033 4.556 0.001 0.000 0.363 334 H C -0.876 174.228 175.328 -0.374 0.000 1.151 334 H CA -0.396 55.542 56.048 -0.184 0.000 1.184 334 H CB 1.781 31.632 29.762 0.148 0.000 1.643 334 H HN 0.402 nan 8.280 nan 0.000 0.531 335 F N 0.158 120.238 119.950 0.217 0.000 2.791 335 F HA 0.102 4.630 4.527 0.000 0.000 0.308 335 F C 1.621 177.481 175.800 0.100 0.000 1.138 335 F CA -0.266 57.819 58.000 0.142 0.000 1.294 335 F CB 0.156 39.213 39.000 0.096 0.000 0.975 335 F HN 0.570 nan 8.300 nan 0.000 0.512 336 T N -3.229 111.451 114.554 0.209 0.000 2.995 336 T HA -0.078 4.272 4.350 0.000 0.000 0.269 336 T C 1.750 176.411 174.700 -0.066 0.000 1.091 336 T CA 0.837 62.970 62.100 0.056 0.000 1.128 336 T CB -0.001 68.866 68.868 -0.002 0.000 0.891 336 T HN 0.131 nan 8.240 nan 0.000 0.492 337 K N 1.156 121.547 120.400 -0.014 0.000 2.323 337 K HA 0.133 4.453 4.320 0.000 0.000 0.197 337 K C 0.614 177.262 176.600 0.080 0.000 1.043 337 K CA 0.340 56.619 56.287 -0.014 0.000 0.997 337 K CB -0.025 32.509 32.500 0.056 0.000 0.807 337 K HN 0.313 nan 8.250 nan 0.000 0.497 338 T N 4.276 118.917 114.554 0.144 0.000 2.869 338 T HA 0.197 4.547 4.350 0.000 0.000 0.295 338 T C -2.502 172.291 174.700 0.156 0.000 0.987 338 T CA -1.330 60.867 62.100 0.163 0.000 1.109 338 T CB 1.259 70.291 68.868 0.273 0.000 0.932 338 T HN -0.077 nan 8.240 nan 0.000 0.518 339 P HA 0.076 nan 4.420 nan 0.000 0.267 339 P C 0.530 177.995 177.300 0.274 0.000 1.201 339 P CA -0.190 63.049 63.100 0.232 0.000 0.775 339 P CB 0.489 32.358 31.700 0.283 0.000 0.854 340 K N 1.224 121.729 120.400 0.175 0.000 2.397 340 K HA 0.154 4.474 4.320 0.000 0.000 0.202 340 K C -0.430 175.956 176.600 -0.358 0.000 1.022 340 K CA 0.249 56.476 56.287 -0.100 0.000 1.141 340 K CB 0.127 32.479 32.500 -0.246 0.000 0.857 340 K HN 0.519 nan 8.250 nan 0.000 0.514 341 Y N 0.388 120.826 120.300 0.230 0.000 2.386 341 Y HA 0.296 4.846 4.550 0.000 0.000 0.334 341 Y C -0.215 175.869 175.900 0.306 0.000 1.002 341 Y CA -1.712 56.520 58.100 0.219 0.000 1.068 341 Y CB 1.301 39.872 38.460 0.185 0.000 1.203 341 Y HN -0.037 nan 8.280 nan 0.000 0.443 342 F N 1.662 121.670 119.950 0.098 0.000 2.575 342 F HA 0.804 5.331 4.527 0.000 0.000 0.330 342 F C -1.080 174.747 175.800 0.044 0.000 1.056 342 F CA -1.321 56.675 58.000 -0.006 0.000 0.964 342 F CB 1.550 40.236 39.000 -0.524 0.000 1.258 342 F HN 0.246 nan 8.300 nan 0.000 0.484 343 K N 1.649 121.932 120.400 -0.195 0.000 2.449 343 K HA 0.418 4.738 4.320 0.000 0.000 0.257 343 K C -3.207 173.101 176.600 -0.487 0.000 0.989 343 K CA -1.728 54.233 56.287 -0.544 0.000 0.916 343 K CB 1.285 33.388 32.500 -0.662 0.000 1.136 343 K HN 0.314 nan 8.250 nan 0.000 0.439 344 P HA -0.056 nan 4.420 nan 0.000 0.261 344 P C 0.924 178.138 177.300 -0.145 0.000 1.183 344 P CA 1.265 64.298 63.100 -0.111 0.000 0.761 344 P CB 0.630 32.288 31.700 -0.069 0.000 0.785 345 G N 2.680 111.462 108.800 -0.030 0.000 2.490 345 G HA2 -0.222 3.738 3.960 0.000 0.000 0.214 345 G HA3 -0.222 3.738 3.960 0.000 0.000 0.214 345 G C 0.230 175.076 174.900 -0.089 0.000 1.151 345 G CA -0.382 44.688 45.100 -0.051 0.000 0.684 345 G HN 0.431 nan 8.290 nan 0.000 0.518 346 M N 2.205 121.701 119.600 -0.172 0.000 2.240 346 M HA 0.331 4.811 4.480 0.000 0.000 0.333 346 M C -2.055 174.181 176.300 -0.108 0.000 1.110 346 M CA -1.330 53.869 55.300 -0.169 0.000 1.173 346 M CB -0.087 32.356 32.600 -0.261 0.000 1.458 346 M HN 0.053 nan 8.290 nan 0.000 0.458 347 P HA 0.097 nan 4.420 nan 0.000 0.269 347 P C -1.147 176.127 177.300 -0.044 0.000 1.215 347 P CA -0.024 63.019 63.100 -0.095 0.000 0.780 347 P CB 0.311 31.927 31.700 -0.141 0.000 0.898 348 F N 1.839 121.729 119.950 -0.100 0.000 2.460 348 F HA 0.297 4.824 4.527 0.000 0.000 0.341 348 F C -0.556 175.247 175.800 0.005 0.000 1.130 348 F CA -0.781 57.202 58.000 -0.029 0.000 0.962 348 F CB 0.904 39.903 39.000 -0.001 0.000 1.171 348 F HN 0.122 nan 8.300 nan 0.000 0.436 349 D N 6.893 126.988 120.400 -0.507 0.000 2.249 349 D HA 0.331 4.971 4.640 0.000 0.000 0.246 349 D C -0.456 175.504 176.300 -0.565 0.000 1.114 349 D CA 0.139 53.922 54.000 -0.361 0.000 0.854 349 D CB 1.893 42.611 40.800 -0.136 0.000 1.132 349 D HN 0.485 nan 8.370 nan 0.000 0.461 350 L N 2.308 123.371 121.223 -0.266 0.000 2.309 350 L HA 0.370 4.711 4.340 0.000 0.000 0.282 350 L C 0.590 177.456 176.870 -0.006 0.000 1.036 350 L CA -0.505 54.272 54.840 -0.106 0.000 0.806 350 L CB 1.383 43.497 42.059 0.092 0.000 1.220 350 L HN 0.159 nan 8.230 nan 0.000 0.429 351 M N 4.090 123.726 119.600 0.060 0.000 2.901 351 M HA 0.238 4.718 4.480 0.000 0.000 0.294 351 M C -0.771 175.612 176.300 0.137 0.000 1.255 351 M CA -0.498 54.852 55.300 0.084 0.000 1.274 351 M CB 0.746 33.394 32.600 0.081 0.000 1.173 351 M HN 0.201 nan 8.290 nan 0.000 0.525 352 V N 2.641 122.620 119.914 0.109 0.000 2.529 352 V HA 0.041 4.161 4.120 0.000 0.000 0.292 352 V C -0.267 175.905 176.094 0.129 0.000 1.028 352 V CA 0.236 62.560 62.300 0.040 0.000 1.074 352 V CB 0.288 32.105 31.823 -0.010 0.000 0.958 352 V HN 0.434 nan 8.190 nan 0.000 0.481 353 F N 6.137 126.037 119.950 -0.084 0.000 2.388 353 F HA 0.592 5.119 4.527 0.000 0.000 0.358 353 F C -0.186 175.630 175.800 0.027 0.000 1.122 353 F CA -0.936 57.062 58.000 -0.003 0.000 1.056 353 F CB 1.451 40.469 39.000 0.030 0.000 1.155 353 F HN 0.218 nan 8.300 nan 0.000 0.461 354 V N 5.483 125.194 119.914 -0.339 0.000 2.357 354 V HA 0.445 4.565 4.120 0.000 0.000 0.284 354 V C -0.106 175.756 176.094 -0.387 0.000 1.018 354 V CA -0.486 61.642 62.300 -0.286 0.000 0.841 354 V CB 1.422 33.126 31.823 -0.200 0.000 0.991 354 V HN 0.846 nan 8.190 nan 0.000 0.437 355 T N 1.471 115.878 114.554 -0.244 0.000 2.912 355 T HA 0.535 4.885 4.350 0.000 0.000 0.288 355 T C -0.160 174.552 174.700 0.021 0.000 1.030 355 T CA -0.959 61.038 62.100 -0.172 0.000 1.020 355 T CB 1.609 70.356 68.868 -0.202 0.000 1.056 355 T HN 0.398 nan 8.240 nan 0.000 0.480 356 N N 2.065 120.791 118.700 0.044 0.000 2.399 356 N HA 0.228 4.969 4.740 0.000 0.000 0.250 356 N C -1.773 173.757 175.510 0.034 0.000 1.272 356 N CA -1.847 51.235 53.050 0.053 0.000 0.928 356 N CB 0.385 38.936 38.487 0.106 0.000 1.158 356 N HN 0.415 nan 8.380 nan 0.000 0.463 357 P HA -0.135 nan 4.420 nan 0.000 0.221 357 P C 0.807 178.155 177.300 0.081 0.000 1.145 357 P CA 1.139 64.258 63.100 0.033 0.000 0.795 357 P CB 0.203 31.930 31.700 0.045 0.000 0.775 358 D N -2.007 118.452 120.400 0.098 0.000 2.183 358 D HA -0.003 4.637 4.640 0.000 0.000 0.205 358 D C 1.587 177.933 176.300 0.077 0.000 0.962 358 D CA 1.727 55.782 54.000 0.092 0.000 0.849 358 D CB -0.371 40.486 40.800 0.096 0.000 0.978 358 D HN 0.248 nan 8.370 nan 0.000 0.488 359 G N 0.245 109.086 108.800 0.069 0.000 3.110 359 G HA2 -0.144 3.816 3.960 0.000 0.000 0.205 359 G HA3 -0.144 3.816 3.960 0.000 0.000 0.205 359 G C 0.262 175.192 174.900 0.051 0.000 1.019 359 G CA 0.277 45.413 45.100 0.060 0.000 0.826 359 G HN 0.618 nan 8.290 nan 0.000 0.481 360 S N 2.362 118.097 115.700 0.058 0.000 2.576 360 S HA 0.609 5.079 4.470 0.000 0.000 0.276 360 S C -1.981 172.633 174.600 0.024 0.000 1.339 360 S CA -0.832 57.403 58.200 0.059 0.000 1.039 360 S CB 1.728 64.969 63.200 0.069 0.000 0.902 360 S HN 0.371 nan 8.310 nan 0.000 0.516 361 P HA 0.324 nan 4.420 nan 0.000 0.272 361 P C -1.072 176.254 177.300 0.043 0.000 1.230 361 P CA -0.414 62.666 63.100 -0.034 0.000 0.788 361 P CB 0.578 32.301 31.700 0.039 0.000 0.949 362 A N 2.891 125.736 122.820 0.041 0.000 2.287 362 A HA 0.375 4.695 4.320 0.000 0.000 0.317 362 A C -0.951 176.710 177.584 0.128 0.000 1.220 362 A CA -0.783 51.332 52.037 0.130 0.000 0.835 362 A CB 0.227 19.356 19.000 0.215 0.000 1.180 362 A HN 0.607 nan 8.150 nan 0.000 0.500 363 Y N 2.583 122.900 120.300 0.027 0.000 2.359 363 Y HA 0.404 4.954 4.550 0.001 0.000 0.330 363 Y C 0.822 176.711 175.900 -0.018 0.000 1.143 363 Y CA 0.201 58.304 58.100 0.005 0.000 1.318 363 Y CB 0.364 38.836 38.460 0.019 0.000 1.234 363 Y HN 0.866 nan 8.280 nan 0.000 0.522 364 R N 2.947 123.113 120.500 -0.558 0.000 2.983 364 R HA -0.112 4.229 4.340 0.000 0.000 0.272 364 R C -1.916 174.193 176.300 -0.320 0.000 0.926 364 R CA 0.389 56.154 56.100 -0.558 0.000 0.667 364 R CB -1.788 28.089 30.300 -0.706 0.000 1.540 364 R HN 0.411 nan 8.270 nan 0.000 0.467 365 V N 1.993 121.737 119.914 -0.284 0.000 2.305 365 V HA 0.253 4.373 4.120 0.000 0.000 0.275 365 V C -1.916 174.032 176.094 -0.245 0.000 1.020 365 V CA -1.919 60.178 62.300 -0.337 0.000 0.811 365 V CB 1.735 33.271 31.823 -0.477 0.000 1.031 365 V HN 0.196 nan 8.190 nan 0.000 0.439 366 P HA 0.125 nan 4.420 nan 0.000 0.261 366 P C -0.395 176.826 177.300 -0.130 0.000 1.203 366 P CA 0.476 63.490 63.100 -0.142 0.000 0.767 366 P CB 0.506 32.135 31.700 -0.118 0.000 0.785 367 V N 1.158 121.011 119.914 -0.101 0.000 2.914 367 V HA 0.986 5.107 4.120 0.000 0.000 0.314 367 V C -0.498 175.571 176.094 -0.043 0.000 1.084 367 V CA -1.295 60.959 62.300 -0.078 0.000 0.963 367 V CB 1.973 33.747 31.823 -0.080 0.000 1.025 367 V HN 0.550 nan 8.190 nan 0.000 0.432 368 A N 2.229 125.034 122.820 -0.025 0.000 2.593 368 A HA 0.921 5.241 4.320 0.000 0.000 0.290 368 A C -1.005 176.587 177.584 0.014 0.000 1.126 368 A CA -0.689 51.344 52.037 -0.007 0.000 0.695 368 A CB 1.885 20.876 19.000 -0.015 0.000 1.290 368 A HN 1.395 nan 8.150 nan 0.000 0.414 369 V N 1.724 121.650 119.914 0.020 0.000 2.539 369 V HA 0.317 4.437 4.120 0.000 0.000 0.292 369 V C 0.200 176.305 176.094 0.018 0.000 1.045 369 V CA -0.775 61.545 62.300 0.034 0.000 0.945 369 V CB 1.466 33.310 31.823 0.035 0.000 0.993 369 V HN 0.871 nan 8.190 nan 0.000 0.464 370 Q N 1.643 121.455 119.800 0.020 0.000 2.474 370 Q HA 0.253 4.594 4.340 0.000 0.000 0.256 370 Q C 1.456 177.455 176.000 -0.002 0.000 1.048 370 Q CA 1.114 56.921 55.803 0.007 0.000 0.922 370 Q CB 0.773 29.516 28.738 0.008 0.000 1.288 370 Q HN 1.160 nan 8.270 nan 0.000 0.484 371 G N 1.818 110.615 108.800 -0.005 0.000 2.708 371 G HA2 -0.329 3.631 3.960 0.000 0.000 0.229 371 G HA3 -0.329 3.631 3.960 0.000 0.000 0.229 371 G C 0.161 175.058 174.900 -0.005 0.000 1.236 371 G CA 0.771 45.866 45.100 -0.008 0.000 0.749 371 G HN 0.522 nan 8.290 nan 0.000 0.515 372 E N 1.532 121.730 120.200 -0.004 0.000 2.528 372 E HA 0.456 4.806 4.350 0.000 0.000 0.277 372 E C 0.089 176.687 176.600 -0.003 0.000 0.980 372 E CA 0.065 56.463 56.400 -0.004 0.000 0.796 372 E CB 0.859 30.557 29.700 -0.004 0.000 1.427 372 E HN 0.449 nan 8.360 nan 0.000 0.394 373 D N 1.908 122.305 120.400 -0.004 0.000 2.428 373 D HA 0.390 5.031 4.640 0.000 0.000 0.272 373 D C -0.044 176.251 176.300 -0.009 0.000 1.195 373 D CA 0.412 54.409 54.000 -0.006 0.000 1.105 373 D CB -0.760 40.035 40.800 -0.008 0.000 1.109 373 D HN 0.407 nan 8.370 nan 0.000 0.433 374 T N -1.921 112.626 114.554 -0.012 0.000 0.541 374 T HA -0.164 4.187 4.350 0.000 0.000 0.774 374 T C 1.261 175.952 174.700 -0.015 0.000 0.992 374 T CA 1.435 63.526 62.100 -0.014 0.000 4.077 374 T CB -1.382 67.478 68.868 -0.012 0.000 2.303 374 T HN 1.059 nan 8.240 nan 0.000 0.398 375 V N -1.044 118.860 119.914 -0.016 0.000 0.595 375 V HA -0.402 3.718 4.120 0.000 0.000 0.092 375 V C 1.166 177.247 176.094 -0.021 0.000 1.786 375 V CA 3.636 65.926 62.300 -0.017 0.000 3.384 375 V CB -1.978 29.836 31.823 -0.015 0.000 0.670 375 V HN 1.606 nan 8.190 nan 0.000 0.691 376 Q N -0.942 118.845 119.800 -0.021 0.000 0.390 376 Q HA -0.070 4.270 4.340 0.000 0.000 0.296 376 Q C -0.258 175.724 176.000 -0.031 0.000 1.087 376 Q CA 1.070 56.856 55.803 -0.028 0.000 0.275 376 Q CB -0.660 28.057 28.738 -0.035 0.000 5.572 376 Q HN 1.941 nan 8.270 nan 0.000 0.308 377 S N -1.222 114.453 115.700 -0.041 0.000 2.661 377 S HA 0.833 5.303 4.470 0.000 0.000 0.268 377 S C -1.897 172.664 174.600 -0.064 0.000 1.162 377 S CA -0.843 57.331 58.200 -0.043 0.000 0.817 377 S CB 1.529 64.710 63.200 -0.032 0.000 1.141 377 S HN 0.773 nan 8.310 nan 0.000 0.477 378 L N 1.258 122.443 121.223 -0.064 0.000 2.410 378 L HA 0.654 4.994 4.340 0.000 0.000 0.270 378 L C -0.365 176.459 176.870 -0.078 0.000 0.983 378 L CA 0.100 54.883 54.840 -0.096 0.000 0.822 378 L CB 2.182 44.180 42.059 -0.101 0.000 1.285 378 L HN 0.953 nan 8.230 nan 0.000 0.409 379 T N 2.841 117.329 114.554 -0.109 0.000 2.901 379 T HA 0.293 4.644 4.350 0.000 0.000 0.301 379 T C 0.166 174.889 174.700 0.038 0.000 1.012 379 T CA -0.272 61.800 62.100 -0.047 0.000 1.135 379 T CB 0.913 69.734 68.868 -0.078 0.000 0.936 379 T HN 0.522 nan 8.240 nan 0.000 0.539 380 Q N 0.922 120.797 119.800 0.126 0.000 2.247 380 Q HA 0.484 4.824 4.340 0.000 0.000 0.184 380 Q C 1.868 178.070 176.000 0.337 0.000 1.067 380 Q CA 0.272 56.219 55.803 0.240 0.000 1.115 380 Q CB -0.126 28.689 28.738 0.129 0.000 1.147 380 Q HN 0.782 nan 8.270 nan 0.000 0.599 381 G N -0.002 108.910 108.800 0.188 0.000 2.448 381 G HA2 -0.184 3.777 3.960 0.000 0.000 0.218 381 G HA3 -0.184 3.777 3.960 0.000 0.000 0.218 381 G C 0.406 175.356 174.900 0.083 0.000 1.135 381 G CA 0.872 45.995 45.100 0.037 0.000 0.784 381 G HN 0.753 nan 8.290 nan 0.000 0.543 382 D N 0.097 120.560 120.400 0.105 0.000 2.336 382 D HA 0.131 4.771 4.640 0.000 0.000 0.229 382 D C 1.592 178.041 176.300 0.248 0.000 1.061 382 D CA 0.607 54.697 54.000 0.150 0.000 0.875 382 D CB -0.384 40.486 40.800 0.117 0.000 0.904 382 D HN 0.409 nan 8.370 nan 0.000 0.525 383 G N 0.017 108.921 108.800 0.173 0.000 2.143 383 G HA2 -0.241 3.719 3.960 0.000 0.000 0.248 383 G HA3 -0.241 3.719 3.960 0.000 0.000 0.248 383 G C 0.058 175.056 174.900 0.164 0.000 0.991 383 G CA 0.275 45.428 45.100 0.089 0.000 0.689 383 G HN 0.376 nan 8.290 nan 0.000 0.522 384 V N -0.272 119.764 119.914 0.204 0.000 2.628 384 V HA 0.941 5.061 4.120 0.000 0.000 0.306 384 V C 0.361 176.510 176.094 0.091 0.000 1.045 384 V CA -0.273 62.146 62.300 0.198 0.000 0.905 384 V CB 1.813 33.755 31.823 0.199 0.000 0.997 384 V HN 1.446 nan 8.190 nan 0.000 0.436 385 A N 3.678 126.535 122.820 0.061 0.000 2.515 385 A HA 0.798 5.119 4.320 0.000 0.000 0.298 385 A C -0.660 176.937 177.584 0.021 0.000 1.059 385 A CA -0.912 51.138 52.037 0.023 0.000 0.698 385 A CB 1.647 20.642 19.000 -0.008 0.000 1.289 385 A HN 0.940 nan 8.150 nan 0.000 0.404 386 K N 1.465 121.869 120.400 0.006 0.000 2.172 386 K HA 0.775 5.095 4.320 0.000 0.000 0.276 386 K C -1.493 175.105 176.600 -0.004 0.000 1.013 386 K CA -0.331 55.954 56.287 -0.003 0.000 0.913 386 K CB 1.061 33.550 32.500 -0.018 0.000 1.055 386 K HN 0.469 nan 8.250 nan 0.000 0.461 387 L N 2.078 123.301 121.223 -0.001 0.000 2.439 387 L HA 0.292 4.632 4.340 0.000 0.000 0.270 387 L C -0.895 175.972 176.870 -0.006 0.000 0.972 387 L CA -0.645 54.198 54.840 0.005 0.000 0.836 387 L CB 2.369 44.446 42.059 0.031 0.000 1.255 387 L HN 0.812 nan 8.230 nan 0.000 0.404 388 S N 4.058 119.753 115.700 -0.009 0.000 2.472 388 S HA 0.827 5.297 4.470 0.000 0.000 0.303 388 S C -0.677 173.930 174.600 0.010 0.000 1.099 388 S CA -0.546 57.647 58.200 -0.011 0.000 1.077 388 S CB 0.874 64.059 63.200 -0.025 0.000 1.031 388 S HN 0.452 nan 8.310 nan 0.000 0.487 389 I N 1.813 122.405 120.570 0.038 0.000 2.468 389 I HA 0.584 4.754 4.170 0.000 0.000 0.285 389 I C -1.000 175.123 176.117 0.011 0.000 1.039 389 I CA -0.991 60.323 61.300 0.023 0.000 1.074 389 I CB 1.688 39.706 38.000 0.030 0.000 1.228 389 I HN 0.292 nan 8.210 nan 0.000 0.436 390 N N 4.720 123.402 118.700 -0.030 0.000 2.401 390 N HA 0.384 5.124 4.740 0.000 0.000 0.255 390 N C -0.167 175.281 175.510 -0.103 0.000 1.110 390 N CA -0.109 52.905 53.050 -0.060 0.000 0.949 390 N CB 1.226 39.665 38.487 -0.079 0.000 1.110 390 N HN 0.848 nan 8.380 nan 0.000 0.490 391 T N -1.099 113.404 114.554 -0.085 0.000 2.950 391 T HA 0.372 4.723 4.350 0.000 0.000 0.288 391 T C 0.047 174.694 174.700 -0.088 0.000 1.035 391 T CA -0.860 61.181 62.100 -0.097 0.000 1.028 391 T CB 0.929 69.757 68.868 -0.065 0.000 1.109 391 T HN 0.339 nan 8.240 nan 0.000 0.514 392 H N 1.039 120.115 119.070 0.009 0.000 2.771 392 H HA 0.175 4.731 4.556 0.000 0.000 0.364 392 H C -2.199 173.162 175.328 0.055 0.000 1.133 392 H CA -1.199 54.864 56.048 0.025 0.000 1.423 392 H CB 0.175 29.947 29.762 0.017 0.000 1.425 392 H HN 0.408 nan 8.280 nan 0.000 0.606 393 P HA 0.035 nan 4.420 nan 0.000 0.252 393 P C -0.771 176.609 177.300 0.132 0.000 1.635 393 P CA 0.371 63.542 63.100 0.118 0.000 1.206 393 P CB -0.156 31.600 31.700 0.092 0.000 1.911 394 S N 1.526 117.325 115.700 0.165 0.000 2.503 394 S HA 0.227 4.697 4.470 0.000 0.000 0.301 394 S C 0.913 175.609 174.600 0.160 0.000 1.087 394 S CA -0.596 57.689 58.200 0.142 0.000 1.042 394 S CB 1.853 65.129 63.200 0.126 0.000 1.043 394 S HN 0.254 nan 8.310 nan 0.000 0.489 395 Q N 1.113 120.979 119.800 0.110 0.000 2.378 395 Q HA 0.079 4.420 4.340 0.000 0.000 0.205 395 Q C -0.342 175.731 176.000 0.122 0.000 0.954 395 Q CA 0.766 56.626 55.803 0.096 0.000 0.901 395 Q CB 0.100 28.878 28.738 0.067 0.000 0.981 395 Q HN 0.546 nan 8.270 nan 0.000 0.483 396 K N 1.858 122.333 120.400 0.125 0.000 2.401 396 K HA 0.117 4.437 4.320 0.000 0.000 0.278 396 K C -2.356 174.343 176.600 0.165 0.000 1.018 396 K CA -1.393 54.956 56.287 0.103 0.000 0.981 396 K CB 0.141 32.672 32.500 0.053 0.000 0.933 396 K HN -0.013 nan 8.250 nan 0.000 0.477 397 P HA -0.062 nan 4.420 nan 0.000 0.265 397 P C -0.750 176.509 177.300 -0.068 0.000 1.193 397 P CA 0.088 63.252 63.100 0.106 0.000 0.765 397 P CB 0.454 32.174 31.700 0.034 0.000 0.823 398 L N 2.662 123.706 121.223 -0.298 0.000 2.276 398 L HA 0.312 4.652 4.340 0.000 0.000 0.286 398 L C 0.280 176.917 176.870 -0.389 0.000 1.061 398 L CA -0.187 54.324 54.840 -0.547 0.000 0.807 398 L CB 0.805 42.139 42.059 -1.208 0.000 1.177 398 L HN 0.317 nan 8.230 nan 0.000 0.429 399 S N 5.184 120.719 115.700 -0.276 0.000 2.438 399 S HA 0.624 5.094 4.470 0.000 0.000 0.316 399 S C -0.544 173.929 174.600 -0.212 0.000 1.084 399 S CA -0.591 57.475 58.200 -0.222 0.000 1.107 399 S CB 0.360 63.473 63.200 -0.146 0.000 0.981 399 S HN 0.414 nan 8.310 nan 0.000 0.466 400 I N 3.862 124.286 120.570 -0.242 0.000 2.493 400 I HA 0.465 4.635 4.170 0.000 0.000 0.298 400 I C 0.029 176.053 176.117 -0.156 0.000 0.998 400 I CA -0.267 60.919 61.300 -0.190 0.000 1.137 400 I CB 2.359 40.248 38.000 -0.185 0.000 1.310 400 I HN 0.421 nan 8.210 nan 0.000 0.445 401 T N 4.483 119.010 114.554 -0.046 0.000 2.879 401 T HA 0.556 4.906 4.350 0.000 0.000 0.290 401 T C -0.730 174.039 174.700 0.116 0.000 0.993 401 T CA -0.526 61.598 62.100 0.041 0.000 0.975 401 T CB 1.617 70.497 68.868 0.020 0.000 0.981 401 T HN 0.204 nan 8.240 nan 0.000 0.439 402 V N 4.254 124.316 119.914 0.247 0.000 2.378 402 V HA 0.488 4.608 4.120 0.000 0.000 0.288 402 V C 0.330 176.481 176.094 0.094 0.000 1.016 402 V CA -0.853 61.561 62.300 0.189 0.000 0.840 402 V CB 1.377 33.365 31.823 0.274 0.000 0.994 402 V HN 0.692 nan 8.190 nan 0.000 0.431 403 R N 1.632 122.157 120.500 0.041 0.000 2.596 403 R HA 0.620 4.960 4.340 0.000 0.000 0.267 403 R C 0.120 176.403 176.300 -0.027 0.000 1.026 403 R CA -0.440 55.662 56.100 0.005 0.000 1.087 403 R CB 1.774 32.075 30.300 0.002 0.000 1.132 403 R HN 0.730 nan 8.270 nan 0.000 0.531 404 T N 0.352 114.877 114.554 -0.048 0.000 2.928 404 T HA 0.292 4.642 4.350 0.000 0.000 0.284 404 T C -0.452 174.209 174.700 -0.065 0.000 1.008 404 T CA -0.592 61.457 62.100 -0.085 0.000 1.057 404 T CB 0.666 69.454 68.868 -0.133 0.000 1.018 404 T HN 0.269 nan 8.240 nan 0.000 0.493 405 K N 3.784 124.134 120.400 -0.082 0.000 3.029 405 K HA 0.222 4.543 4.320 0.000 0.000 0.169 405 K C -0.557 175.999 176.600 -0.074 0.000 1.090 405 K CA -0.633 55.617 56.287 -0.061 0.000 0.883 405 K CB 1.012 33.483 32.500 -0.049 0.000 1.080 405 K HN 0.445 nan 8.250 nan 0.000 0.613 406 K N 1.723 122.077 120.400 -0.076 0.000 2.276 406 K HA 0.116 4.437 4.320 0.000 0.000 0.283 406 K C 0.062 176.643 176.600 -0.032 0.000 1.044 406 K CA -0.249 55.996 56.287 -0.070 0.000 0.944 406 K CB 1.135 33.601 32.500 -0.057 0.000 1.012 406 K HN 0.278 nan 8.250 nan 0.000 0.472 407 Q N 2.367 122.146 119.800 -0.035 0.000 2.364 407 Q HA -0.051 4.290 4.340 0.000 0.000 0.267 407 Q C -0.571 175.423 176.000 -0.010 0.000 0.999 407 Q CA 1.078 56.867 55.803 -0.024 0.000 0.886 407 Q CB 0.338 29.060 28.738 -0.027 0.000 1.243 407 Q HN 0.664 nan 8.270 nan 0.000 0.415 408 E N 0.582 120.775 120.200 -0.012 0.000 2.868 408 E HA -0.241 4.109 4.350 0.000 0.000 0.278 408 E C -1.100 175.491 176.600 -0.014 0.000 1.009 408 E CA 0.260 56.653 56.400 -0.011 0.000 0.856 408 E CB -1.410 28.288 29.700 -0.004 0.000 1.428 408 E HN 0.379 nan 8.360 nan 0.000 0.423 409 L N 0.653 121.866 121.223 -0.016 0.000 2.386 409 L HA 0.291 4.631 4.340 0.000 0.000 0.271 409 L C 0.438 177.283 176.870 -0.041 0.000 0.993 409 L CA -0.328 54.491 54.840 -0.034 0.000 0.819 409 L CB 1.919 43.978 42.059 -0.001 0.000 1.294 409 L HN 0.102 nan 8.230 nan 0.000 0.414 410 S N 0.936 116.599 115.700 -0.063 0.000 2.579 410 S HA 0.159 4.629 4.470 0.000 0.000 0.275 410 S C 0.821 175.401 174.600 -0.033 0.000 1.345 410 S CA -0.657 57.516 58.200 -0.045 0.000 1.031 410 S CB 0.820 63.992 63.200 -0.045 0.000 0.892 410 S HN 0.591 nan 8.310 nan 0.000 0.529 411 E N 1.175 121.361 120.200 -0.024 0.000 2.265 411 E HA -0.100 4.250 4.350 0.000 0.000 0.196 411 E C 1.680 178.273 176.600 -0.011 0.000 0.996 411 E CA 1.287 57.677 56.400 -0.018 0.000 0.832 411 E CB -0.539 29.151 29.700 -0.017 0.000 0.756 411 E HN 0.831 nan 8.360 nan 0.000 0.491 412 A N 0.400 123.214 122.820 -0.010 0.000 2.345 412 A HA 0.066 4.386 4.320 0.000 0.000 0.225 412 A C 1.595 179.200 177.584 0.034 0.000 1.243 412 A CA -0.012 52.028 52.037 0.005 0.000 0.875 412 A CB 0.131 19.125 19.000 -0.009 0.000 0.929 412 A HN 0.042 nan 8.150 nan 0.000 0.502 413 E N -0.407 119.797 120.200 0.006 0.000 2.447 413 E HA 0.023 4.373 4.350 0.000 0.000 0.204 413 E C 0.184 176.777 176.600 -0.012 0.000 0.977 413 E CA -0.186 56.206 56.400 -0.013 0.000 0.950 413 E CB 0.195 29.812 29.700 -0.139 0.000 0.975 413 E HN 0.557 nan 8.360 nan 0.000 0.496 414 Q N 0.354 120.155 119.800 0.002 0.000 2.584 414 Q HA 0.253 4.593 4.340 0.000 0.000 0.235 414 Q C -0.115 175.894 176.000 0.015 0.000 1.079 414 Q CA 0.202 56.015 55.803 0.017 0.000 0.977 414 Q CB 0.641 29.380 28.738 0.002 0.000 1.293 414 Q HN 0.067 nan 8.270 nan 0.000 0.553 415 A N 0.397 123.226 122.820 0.016 0.000 2.320 415 A HA 0.653 4.974 4.320 0.000 0.000 0.334 415 A C -0.325 177.252 177.584 -0.011 0.000 1.147 415 A CA -0.330 51.705 52.037 -0.003 0.000 0.820 415 A CB 1.735 20.732 19.000 -0.006 0.000 1.218 415 A HN 0.572 nan 8.150 nan 0.000 0.482 416 T N -0.085 114.464 114.554 -0.009 0.000 2.909 416 T HA 0.710 5.061 4.350 0.000 0.000 0.299 416 T C -1.090 173.624 174.700 0.023 0.000 1.073 416 T CA -0.567 61.539 62.100 0.011 0.000 0.999 416 T CB 1.175 70.055 68.868 0.019 0.000 1.098 416 T HN 0.909 nan 8.240 nan 0.000 0.477 417 R N 1.672 122.224 120.500 0.087 0.000 2.561 417 R HA 0.623 4.963 4.340 0.000 0.000 0.266 417 R C -1.447 175.058 176.300 0.341 0.000 1.091 417 R CA -0.339 55.866 56.100 0.175 0.000 0.927 417 R CB 1.907 32.262 30.300 0.091 0.000 1.240 417 R HN 0.744 nan 8.270 nan 0.000 0.449 418 T N 4.634 119.324 114.554 0.227 0.000 2.856 418 T HA 0.669 5.019 4.350 0.000 0.000 0.283 418 T C -0.305 174.364 174.700 -0.052 0.000 1.008 418 T CA -0.773 61.365 62.100 0.063 0.000 0.997 418 T CB 1.168 70.037 68.868 0.001 0.000 0.992 418 T HN 0.637 nan 8.240 nan 0.000 0.454 419 M N 1.128 120.522 119.600 -0.343 0.000 2.658 419 M HA 0.829 5.309 4.480 0.000 0.000 0.295 419 M C -1.403 174.725 176.300 -0.286 0.000 1.248 419 M CA -1.140 53.934 55.300 -0.377 0.000 0.843 419 M CB 2.179 34.322 32.600 -0.761 0.000 1.749 419 M HN 0.329 nan 8.290 nan 0.000 0.464 420 Q N 1.628 121.297 119.800 -0.219 0.000 2.341 420 Q HA 0.773 5.113 4.340 0.000 0.000 0.268 420 Q C -1.895 173.971 176.000 -0.224 0.000 1.013 420 Q CA -0.174 55.511 55.803 -0.197 0.000 0.798 420 Q CB 2.076 30.735 28.738 -0.132 0.000 1.253 420 Q HN 0.871 nan 8.270 nan 0.000 0.457 421 A N 5.259 127.920 122.820 -0.266 0.000 2.273 421 A HA 0.656 4.976 4.320 0.000 0.000 0.315 421 A C -0.994 176.551 177.584 -0.064 0.000 1.256 421 A CA -0.616 51.267 52.037 -0.257 0.000 0.851 421 A CB 0.358 19.078 19.000 -0.466 0.000 1.172 421 A HN 0.794 nan 8.150 nan 0.000 0.508 422 L N 3.838 125.021 121.223 -0.068 0.000 2.439 422 L HA 0.435 4.776 4.340 0.000 0.000 0.261 422 L C -1.764 175.276 176.870 0.284 0.000 1.153 422 L CA -1.928 52.981 54.840 0.115 0.000 0.808 422 L CB 0.803 42.889 42.059 0.045 0.000 1.126 422 L HN 0.483 nan 8.230 nan 0.000 0.460 423 P HA 0.035 nan 4.420 nan 0.000 0.277 423 P C -0.420 176.889 177.300 0.015 0.000 1.271 423 P CA -0.269 62.679 63.100 -0.253 0.000 0.795 423 P CB 0.800 32.418 31.700 -0.137 0.000 1.101 424 Y N 0.921 121.110 120.300 -0.185 0.000 3.199 424 Y HA -0.064 4.486 4.550 0.000 0.000 0.290 424 Y C 2.226 178.133 175.900 0.012 0.000 0.804 424 Y CA 2.557 60.648 58.100 -0.015 0.000 1.183 424 Y CB -0.447 38.075 38.460 0.104 0.000 1.213 424 Y HN 0.603 nan 8.280 nan 0.000 0.609 425 S N -4.234 111.447 115.700 -0.032 0.000 3.299 425 S HA 0.038 4.508 4.470 0.000 0.000 0.213 425 S C -0.134 174.489 174.600 0.039 0.000 0.997 425 S CA 0.260 58.419 58.200 -0.067 0.000 1.189 425 S CB -0.786 62.291 63.200 -0.205 0.000 1.106 425 S HN 0.666 nan 8.310 nan 0.000 0.403 426 T N 2.370 116.980 114.554 0.094 0.000 1.586 426 T HA -0.086 4.264 4.350 0.000 0.000 0.639 426 T C -0.257 174.431 174.700 -0.019 0.000 0.947 426 T CA 0.530 62.685 62.100 0.091 0.000 3.397 426 T CB -1.449 67.431 68.868 0.021 0.000 1.950 426 T HN 0.927 nan 8.240 nan 0.000 0.385 427 V N 3.519 123.394 119.914 -0.066 0.000 2.324 427 V HA 0.452 4.572 4.120 0.000 0.000 0.244 427 V C 1.505 177.545 176.094 -0.090 0.000 1.144 427 V CA 1.465 63.717 62.300 -0.079 0.000 1.158 427 V CB -0.073 31.700 31.823 -0.085 0.000 1.254 427 V HN 1.524 nan 8.190 nan 0.000 0.492 428 G N 4.228 112.995 108.800 -0.055 0.000 2.174 428 G HA2 -0.167 3.794 3.960 0.000 0.000 0.140 428 G HA3 -0.167 3.794 3.960 0.000 0.000 0.140 428 G C 0.068 174.948 174.900 -0.034 0.000 1.031 428 G CA -0.392 44.679 45.100 -0.048 0.000 0.728 428 G HN 0.637 nan 8.290 nan 0.000 0.496 429 N N -0.144 118.543 118.700 -0.021 0.000 2.629 429 N HA -0.172 4.568 4.740 0.000 0.000 0.278 429 N C 1.230 176.731 175.510 -0.015 0.000 1.102 429 N CA 1.538 54.584 53.050 -0.005 0.000 0.759 429 N CB -0.920 37.572 38.487 0.009 0.000 0.911 429 N HN 1.139 nan 8.380 nan 0.000 0.553 430 S N -1.281 114.394 115.700 -0.042 0.000 2.589 430 S HA 0.147 4.617 4.470 0.000 0.000 0.235 430 S C 0.438 175.003 174.600 -0.059 0.000 1.051 430 S CA -0.245 57.929 58.200 -0.043 0.000 0.978 430 S CB 0.576 63.740 63.200 -0.060 0.000 0.929 430 S HN 0.418 nan 8.310 nan 0.000 0.523 431 N N 2.804 121.427 118.700 -0.128 0.000 2.738 431 N HA -0.105 4.635 4.740 0.000 0.000 0.249 431 N C -1.686 173.672 175.510 -0.254 0.000 1.047 431 N CA 0.647 53.603 53.050 -0.157 0.000 0.707 431 N CB -1.588 36.959 38.487 0.100 0.000 0.937 431 N HN 0.536 nan 8.380 nan 0.000 0.545 432 N N 0.903 119.317 118.700 -0.476 0.000 2.442 432 N HA 0.393 5.133 4.740 0.000 0.000 0.274 432 N C -0.526 174.754 175.510 -0.383 0.000 1.002 432 N CA -0.156 52.752 53.050 -0.237 0.000 0.910 432 N CB 0.785 39.255 38.487 -0.028 0.000 1.244 432 N HN 0.146 nan 8.380 nan 0.000 0.492 433 Y N 0.375 120.733 120.300 0.097 0.000 2.621 433 Y HA 0.653 5.203 4.550 0.000 0.000 0.334 433 Y C -0.239 175.780 175.900 0.198 0.000 1.074 433 Y CA -1.243 56.872 58.100 0.026 0.000 1.149 433 Y CB 1.604 40.010 38.460 -0.090 0.000 1.302 433 Y HN 0.293 nan 8.280 nan 0.000 0.501 434 L N 1.259 122.681 121.223 0.332 0.000 2.409 434 L HA 0.503 4.844 4.340 0.000 0.000 0.272 434 L C -1.723 175.283 176.870 0.225 0.000 0.980 434 L CA -0.456 54.594 54.840 0.350 0.000 0.826 434 L CB 1.404 43.754 42.059 0.485 0.000 1.268 434 L HN 0.744 nan 8.230 nan 0.000 0.407 435 H N 4.493 123.603 119.070 0.065 0.000 2.539 435 H HA 0.625 5.182 4.556 0.001 0.000 0.332 435 H C -1.557 173.712 175.328 -0.098 0.000 1.031 435 H CA -0.372 55.670 56.048 -0.011 0.000 1.206 435 H CB 1.140 30.895 29.762 -0.011 0.000 1.446 435 H HN 0.681 nan 8.280 nan 0.000 0.496 436 L N 4.704 125.564 121.223 -0.606 0.000 2.275 436 L HA 0.422 4.762 4.340 0.000 0.000 0.288 436 L C -0.302 176.094 176.870 -0.790 0.000 1.046 436 L CA -0.535 53.912 54.840 -0.654 0.000 0.805 436 L CB 1.349 43.118 42.059 -0.484 0.000 1.193 436 L HN 0.725 nan 8.230 nan 0.000 0.426 437 S N 2.438 117.807 115.700 -0.551 0.000 2.532 437 S HA 0.828 5.299 4.470 0.000 0.000 0.299 437 S C -0.726 173.735 174.600 -0.232 0.000 1.105 437 S CA -0.806 57.190 58.200 -0.339 0.000 1.018 437 S CB 2.065 65.181 63.200 -0.140 0.000 1.021 437 S HN 0.195 nan 8.310 nan 0.000 0.483 438 V N 2.828 122.632 119.914 -0.182 0.000 2.823 438 V HA 0.506 4.626 4.120 0.000 0.000 0.312 438 V C -0.416 175.613 176.094 -0.109 0.000 1.072 438 V CA -0.961 61.248 62.300 -0.152 0.000 0.937 438 V CB 1.835 33.552 31.823 -0.176 0.000 1.013 438 V HN 0.915 nan 8.190 nan 0.000 0.430 439 L N 3.457 124.625 121.223 -0.091 0.000 2.367 439 L HA 0.450 4.790 4.340 0.000 0.000 0.275 439 L C 0.419 177.245 176.870 -0.073 0.000 1.129 439 L CA 0.084 54.883 54.840 -0.068 0.000 0.839 439 L CB 0.660 42.686 42.059 -0.055 0.000 1.133 439 L HN 0.683 nan 8.230 nan 0.000 0.453 440 R N 3.135 123.601 120.500 -0.056 0.000 2.220 440 R HA 0.467 4.807 4.340 0.000 0.000 0.340 440 R C -0.806 175.474 176.300 -0.033 0.000 1.076 440 R CA 0.099 56.168 56.100 -0.052 0.000 0.920 440 R CB 0.072 30.355 30.300 -0.028 0.000 1.062 440 R HN 0.816 nan 8.270 nan 0.000 0.469 441 T N -0.089 114.437 114.554 -0.046 0.000 2.864 441 T HA 0.370 4.720 4.350 0.000 0.000 0.289 441 T C -0.236 174.444 174.700 -0.034 0.000 1.082 441 T CA -1.013 61.069 62.100 -0.030 0.000 1.009 441 T CB 1.339 70.184 68.868 -0.037 0.000 1.234 441 T HN 0.446 nan 8.240 nan 0.000 0.526 442 E N 2.037 122.223 120.200 -0.023 0.000 2.392 442 E HA 0.188 4.538 4.350 0.000 0.000 0.307 442 E C 0.137 176.713 176.600 -0.040 0.000 1.505 442 E CA -0.217 56.166 56.400 -0.028 0.000 1.716 442 E CB -0.386 29.300 29.700 -0.023 0.000 1.450 442 E HN 0.549 nan 8.360 nan 0.000 0.484 443 L N -1.116 120.075 121.223 -0.053 0.000 2.462 443 L HA 0.316 4.656 4.340 0.000 0.000 0.272 443 L C 0.076 176.913 176.870 -0.054 0.000 1.166 443 L CA -0.204 54.602 54.840 -0.057 0.000 0.880 443 L CB 0.294 42.312 42.059 -0.069 0.000 1.142 443 L HN -0.088 nan 8.230 nan 0.000 0.473 444 R N 3.433 123.903 120.500 -0.049 0.000 2.589 444 R HA 0.523 4.864 4.340 0.000 0.000 0.293 444 R C -2.398 173.876 176.300 -0.043 0.000 0.963 444 R CA -1.783 54.293 56.100 -0.041 0.000 0.905 444 R CB 1.378 31.659 30.300 -0.031 0.000 1.144 444 R HN 0.488 nan 8.270 nan 0.000 0.459 445 P HA -0.024 nan 4.420 nan 0.000 0.264 445 P C 0.502 177.791 177.300 -0.018 0.000 1.183 445 P CA 1.081 64.169 63.100 -0.019 0.000 0.763 445 P CB 0.696 32.397 31.700 0.001 0.000 0.807 446 G N 1.449 110.237 108.800 -0.020 0.000 2.284 446 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 446 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 446 G C 0.307 175.188 174.900 -0.032 0.000 1.009 446 G CA -0.391 44.698 45.100 -0.018 0.000 0.625 446 G HN 0.507 nan 8.290 nan 0.000 0.501 447 E N 0.696 120.868 120.200 -0.046 0.000 2.397 447 E HA 0.473 4.823 4.350 0.000 0.000 0.254 447 E C 0.046 176.601 176.600 -0.074 0.000 1.231 447 E CA 0.537 56.905 56.400 -0.054 0.000 0.954 447 E CB 0.918 30.584 29.700 -0.056 0.000 1.024 447 E HN 0.226 nan 8.360 nan 0.000 0.481 448 T N 0.386 114.898 114.554 -0.069 0.000 2.888 448 T HA 0.497 4.847 4.350 0.000 0.000 0.284 448 T C -1.319 173.329 174.700 -0.086 0.000 1.017 448 T CA -0.748 61.304 62.100 -0.081 0.000 1.022 448 T CB 0.550 69.384 68.868 -0.056 0.000 1.013 448 T HN 0.186 nan 8.240 nan 0.000 0.465 449 L N 4.976 126.136 121.223 -0.106 0.000 2.376 449 L HA 0.588 4.929 4.340 0.000 0.000 0.275 449 L C -0.881 175.939 176.870 -0.084 0.000 0.987 449 L CA -0.569 54.214 54.840 -0.095 0.000 0.828 449 L CB 1.642 43.638 42.059 -0.106 0.000 1.249 449 L HN 0.572 nan 8.230 nan 0.000 0.409 450 N N 3.894 122.553 118.700 -0.068 0.000 2.475 450 N HA 0.308 5.049 4.740 0.000 0.000 0.267 450 N C -0.924 174.540 175.510 -0.076 0.000 1.169 450 N CA -0.109 52.907 53.050 -0.058 0.000 0.947 450 N CB 1.610 40.072 38.487 -0.043 0.000 1.061 450 N HN 0.372 nan 8.380 nan 0.000 0.466 451 V N 2.969 122.837 119.914 -0.076 0.000 2.384 451 V HA 0.279 4.399 4.120 0.000 0.000 0.287 451 V C -0.263 175.738 176.094 -0.154 0.000 1.020 451 V CA -1.042 61.166 62.300 -0.154 0.000 0.850 451 V CB 1.249 32.951 31.823 -0.201 0.000 0.987 451 V HN 0.508 nan 8.190 nan 0.000 0.436 452 N N 4.402 122.967 118.700 -0.225 0.000 2.419 452 N HA 0.435 5.175 4.740 0.000 0.000 0.264 452 N C -0.934 174.389 175.510 -0.312 0.000 1.031 452 N CA -0.177 52.782 53.050 -0.152 0.000 0.951 452 N CB 0.908 39.340 38.487 -0.092 0.000 1.101 452 N HN 0.501 nan 8.380 nan 0.000 0.488 453 F N 2.292 122.129 119.950 -0.188 0.000 2.309 453 F HA 0.261 4.788 4.527 0.000 0.000 0.366 453 F C 0.112 175.802 175.800 -0.184 0.000 1.104 453 F CA -0.774 57.045 58.000 -0.303 0.000 1.179 453 F CB 0.648 39.287 39.000 -0.602 0.000 1.437 453 F HN 0.108 nan 8.300 nan 0.000 0.528 454 L N 4.402 125.646 121.223 0.035 0.000 2.305 454 L HA 0.323 4.663 4.340 0.000 0.000 0.281 454 L C -0.315 176.639 176.870 0.140 0.000 1.085 454 L CA -0.511 54.394 54.840 0.108 0.000 0.813 454 L CB 1.127 43.288 42.059 0.170 0.000 1.157 454 L HN 0.436 nan 8.230 nan 0.000 0.436 455 L N 5.501 126.805 121.223 0.134 0.000 2.307 455 L HA 0.504 4.845 4.340 0.000 0.000 0.284 455 L C -0.202 176.743 176.870 0.126 0.000 1.023 455 L CA -0.071 54.855 54.840 0.143 0.000 0.810 455 L CB 1.058 43.180 42.059 0.106 0.000 1.231 455 L HN 0.577 nan 8.230 nan 0.000 0.423 456 R N 6.908 127.510 120.500 0.170 0.000 2.500 456 R HA 0.716 5.057 4.340 0.000 0.000 0.299 456 R C -1.502 174.908 176.300 0.183 0.000 1.038 456 R CA -0.397 55.803 56.100 0.167 0.000 0.903 456 R CB 1.003 31.416 30.300 0.188 0.000 1.177 456 R HN 0.892 nan 8.270 nan 0.000 0.455 457 M N 0.691 120.362 119.600 0.119 0.000 2.773 457 M HA 0.374 4.854 4.480 0.000 0.000 0.270 457 M C -1.316 175.023 176.300 0.066 0.000 1.238 457 M CA -1.212 54.147 55.300 0.099 0.000 0.832 457 M CB 1.490 34.151 32.600 0.102 0.000 1.672 457 M HN 0.286 nan 8.290 nan 0.000 0.480 458 D N 0.971 121.407 120.400 0.059 0.000 2.443 458 D HA 0.061 4.702 4.640 0.000 0.000 0.239 458 D C -0.553 175.738 176.300 -0.015 0.000 1.136 458 D CA -0.077 53.938 54.000 0.025 0.000 0.879 458 D CB 0.766 41.580 40.800 0.024 0.000 1.195 458 D HN 0.641 nan 8.370 nan 0.000 0.443 459 R N 1.364 121.845 120.500 -0.032 0.000 4.559 459 R HA 0.280 4.620 4.340 0.000 0.000 0.177 459 R C 0.395 176.629 176.300 -0.110 0.000 1.875 459 R CA 0.023 56.091 56.100 -0.054 0.000 1.509 459 R CB -0.110 30.169 30.300 -0.034 0.000 1.395 459 R HN 0.591 nan 8.270 nan 0.000 0.830 460 A N -0.447 122.258 122.820 -0.191 0.000 1.757 460 A HA 0.085 4.405 4.320 0.000 0.000 0.205 460 A C 0.814 178.138 177.584 -0.433 0.000 1.791 460 A CA -0.267 51.547 52.037 -0.372 0.000 1.282 460 A CB 0.358 19.005 19.000 -0.587 0.000 1.297 460 A HN 0.413 nan 8.150 nan 0.000 0.422 461 H N 0.719 119.777 119.070 -0.021 0.000 2.528 461 H HA 0.164 4.720 4.556 0.000 0.000 0.282 461 H C 0.845 176.142 175.328 -0.051 0.000 1.097 461 H CA 0.933 56.963 56.048 -0.030 0.000 1.121 461 H CB 0.297 30.047 29.762 -0.020 0.000 1.590 461 H HN 0.794 nan 8.280 nan 0.000 0.553 462 E N 0.370 120.570 120.200 -0.001 0.000 2.481 462 E HA 0.098 4.448 4.350 0.000 0.000 0.195 462 E C 1.780 178.342 176.600 -0.063 0.000 1.047 462 E CA 0.681 57.057 56.400 -0.041 0.000 0.867 462 E CB 0.226 29.905 29.700 -0.036 0.000 0.858 462 E HN 0.200 nan 8.360 nan 0.000 0.513 463 A N 1.102 123.894 122.820 -0.046 0.000 2.147 463 A HA 0.105 4.425 4.320 0.000 0.000 0.211 463 A C 1.808 179.359 177.584 -0.055 0.000 1.160 463 A CA 0.286 52.294 52.037 -0.048 0.000 0.781 463 A CB -0.011 18.969 19.000 -0.033 0.000 0.842 463 A HN 0.093 nan 8.150 nan 0.000 0.475 464 K N -0.172 120.199 120.400 -0.048 0.000 2.243 464 K HA 0.116 4.436 4.320 0.000 0.000 0.201 464 K C -0.165 176.357 176.600 -0.129 0.000 1.051 464 K CA 0.268 56.521 56.287 -0.056 0.000 0.970 464 K CB 0.009 32.499 32.500 -0.017 0.000 0.755 464 K HN 0.287 nan 8.250 nan 0.000 0.465 465 I N 2.726 123.182 120.570 -0.188 0.000 2.483 465 I HA -0.025 4.145 4.170 0.000 0.000 0.291 465 I C 1.092 177.001 176.117 -0.346 0.000 1.112 465 I CA 0.625 61.719 61.300 -0.344 0.000 1.350 465 I CB 0.460 38.173 38.000 -0.478 0.000 1.419 465 I HN 0.078 nan 8.210 nan 0.000 0.523 466 R N 5.551 125.842 120.500 -0.348 0.000 2.225 466 R HA 0.124 4.464 4.340 0.000 0.000 0.194 466 R C -0.228 175.991 176.300 -0.135 0.000 0.957 466 R CA 0.597 56.593 56.100 -0.172 0.000 1.042 466 R CB 0.023 30.327 30.300 0.006 0.000 1.004 466 R HN 0.637 nan 8.270 nan 0.000 0.509 467 Y N -2.449 117.701 120.300 -0.249 0.000 2.524 467 Y HA 0.622 5.172 4.550 0.000 0.000 0.347 467 Y C -1.191 174.500 175.900 -0.350 0.000 1.005 467 Y CA -2.189 55.777 58.100 -0.223 0.000 1.025 467 Y CB 0.609 39.026 38.460 -0.072 0.000 1.275 467 Y HN -0.232 nan 8.280 nan 0.000 0.460 468 Y N 0.848 121.176 120.300 0.046 0.000 2.341 468 Y HA 0.520 5.071 4.550 0.000 0.000 0.337 468 Y C 0.041 176.014 175.900 0.121 0.000 1.014 468 Y CA -0.932 57.163 58.100 -0.008 0.000 1.111 468 Y CB 2.262 40.554 38.460 -0.279 0.000 1.194 468 Y HN 0.691 nan 8.280 nan 0.000 0.462 469 T N 4.781 119.466 114.554 0.218 0.000 2.743 469 T HA 0.275 4.625 4.350 0.000 0.000 0.293 469 T C -0.954 173.963 174.700 0.361 0.000 0.945 469 T CA -0.414 61.797 62.100 0.185 0.000 1.030 469 T CB -0.494 68.373 68.868 -0.002 0.000 0.912 469 T HN 0.470 nan 8.240 nan 0.000 0.483 470 Y N 2.375 122.849 120.300 0.290 0.000 2.377 470 Y HA 0.811 5.362 4.550 0.000 0.000 0.339 470 Y C -1.337 174.746 175.900 0.304 0.000 1.011 470 Y CA -1.628 56.677 58.100 0.342 0.000 1.093 470 Y CB 0.875 39.569 38.460 0.390 0.000 1.201 470 Y HN 0.403 nan 8.280 nan 0.000 0.455 471 L N 5.615 127.034 121.223 0.327 0.000 2.385 471 L HA 0.487 4.827 4.340 0.000 0.000 0.273 471 L C -0.911 176.130 176.870 0.285 0.000 0.990 471 L CA -1.006 53.974 54.840 0.234 0.000 0.821 471 L CB 2.026 44.262 42.059 0.295 0.000 1.279 471 L HN 0.638 nan 8.230 nan 0.000 0.412 472 I N 3.913 124.633 120.570 0.249 0.000 2.331 472 I HA 0.359 4.529 4.170 0.000 0.000 0.292 472 I C -0.207 176.044 176.117 0.223 0.000 0.998 472 I CA -0.330 61.145 61.300 0.292 0.000 1.267 472 I CB 1.561 39.733 38.000 0.286 0.000 1.386 472 I HN 0.531 nan 8.210 nan 0.000 0.476 473 M N 6.616 126.371 119.600 0.259 0.000 2.043 473 M HA 0.285 4.765 4.480 0.000 0.000 0.322 473 M C -0.420 176.013 176.300 0.221 0.000 0.962 473 M CA -0.140 55.282 55.300 0.204 0.000 0.927 473 M CB 0.868 33.583 32.600 0.192 0.000 1.466 473 M HN 0.513 nan 8.290 nan 0.000 0.412 474 N N 3.575 122.364 118.700 0.149 0.000 2.354 474 N HA 0.241 4.982 4.740 0.000 0.000 0.287 474 N C -0.691 174.890 175.510 0.119 0.000 1.016 474 N CA -0.080 53.053 53.050 0.137 0.000 0.871 474 N CB 1.440 39.942 38.487 0.024 0.000 1.299 474 N HN 0.609 nan 8.380 nan 0.000 0.482 475 K N 2.608 123.103 120.400 0.157 0.000 3.148 475 K HA -0.229 4.091 4.320 0.000 0.000 0.267 475 K C 0.791 177.478 176.600 0.145 0.000 0.996 475 K CA 0.720 57.115 56.287 0.180 0.000 0.737 475 K CB -1.704 30.917 32.500 0.202 0.000 1.308 475 K HN 1.040 nan 8.250 nan 0.000 0.470 476 G N 0.288 109.158 108.800 0.117 0.000 2.328 476 G HA2 -0.434 3.526 3.960 0.000 0.000 0.256 476 G HA3 -0.434 3.526 3.960 0.000 0.000 0.256 476 G C 0.194 175.117 174.900 0.039 0.000 1.014 476 G CA 0.998 46.133 45.100 0.059 0.000 0.620 476 G HN 0.670 nan 8.290 nan 0.000 0.530 477 R N 0.052 120.585 120.500 0.055 0.000 2.532 477 R HA 0.763 5.103 4.340 0.000 0.000 0.272 477 R C 0.009 176.342 176.300 0.055 0.000 1.032 477 R CA -0.941 55.182 56.100 0.039 0.000 1.089 477 R CB 0.899 31.223 30.300 0.039 0.000 1.098 477 R HN 0.261 nan 8.270 nan 0.000 0.526 478 L N 3.299 124.548 121.223 0.044 0.000 2.319 478 L HA 0.131 4.471 4.340 0.000 0.000 0.280 478 L C 0.278 177.165 176.870 0.028 0.000 1.099 478 L CA -0.279 54.596 54.840 0.059 0.000 0.828 478 L CB 1.268 43.366 42.059 0.066 0.000 1.150 478 L HN 0.827 nan 8.230 nan 0.000 0.442 479 L N 4.191 125.429 121.223 0.024 0.000 2.416 479 L HA 0.356 4.696 4.340 0.000 0.000 0.188 479 L C -0.063 176.790 176.870 -0.029 0.000 1.145 479 L CA 0.945 55.761 54.840 -0.040 0.000 0.826 479 L CB 0.171 42.155 42.059 -0.126 0.000 1.064 479 L HN 0.465 nan 8.230 nan 0.000 0.490 480 K N -0.769 119.637 120.400 0.010 0.000 2.385 480 K HA 0.796 5.117 4.320 0.000 0.000 0.248 480 K C -1.434 175.174 176.600 0.014 0.000 0.955 480 K CA -0.015 56.290 56.287 0.029 0.000 0.816 480 K CB 2.152 34.698 32.500 0.076 0.000 1.250 480 K HN 0.244 nan 8.250 nan 0.000 0.434 481 A N 0.451 123.242 122.820 -0.048 0.000 2.515 481 A HA 0.946 5.266 4.320 0.000 0.000 0.296 481 A C -0.672 176.747 177.584 -0.275 0.000 1.094 481 A CA -0.132 51.800 52.037 -0.174 0.000 0.718 481 A CB 1.816 20.785 19.000 -0.052 0.000 1.307 481 A HN 0.721 nan 8.150 nan 0.000 0.408 482 G N 0.253 108.747 108.800 -0.509 0.000 2.428 482 G HA2 0.588 4.549 3.960 0.000 0.000 0.305 482 G HA3 0.588 4.549 3.960 0.000 0.000 0.305 482 G C -1.836 172.952 174.900 -0.187 0.000 1.260 482 G CA -0.715 44.187 45.100 -0.330 0.000 0.853 482 G HN 0.690 nan 8.290 nan 0.000 0.480 483 R N -0.680 119.927 120.500 0.179 0.000 2.836 483 R HA 0.721 5.061 4.340 0.000 0.000 0.269 483 R C -1.505 174.985 176.300 0.318 0.000 1.010 483 R CA -0.861 55.383 56.100 0.241 0.000 0.930 483 R CB 1.903 32.242 30.300 0.066 0.000 1.218 483 R HN 0.565 nan 8.270 nan 0.000 0.473 484 Q N 1.166 121.085 119.800 0.198 0.000 2.303 484 Q HA 0.314 4.654 4.340 0.000 0.000 0.267 484 Q C -0.922 175.109 176.000 0.052 0.000 1.011 484 Q CA -0.670 55.154 55.803 0.036 0.000 0.740 484 Q CB 1.608 30.189 28.738 -0.263 0.000 1.250 484 Q HN 0.494 nan 8.270 nan 0.000 0.458 485 V N 1.813 121.750 119.914 0.038 0.000 2.924 485 V HA 0.640 4.761 4.120 0.000 0.000 0.305 485 V C -0.085 176.019 176.094 0.017 0.000 1.073 485 V CA -0.583 61.739 62.300 0.037 0.000 1.098 485 V CB 1.185 33.024 31.823 0.027 0.000 1.000 485 V HN 0.829 nan 8.190 nan 0.000 0.484 486 R N 1.809 122.306 120.500 -0.005 0.000 2.522 486 R HA 0.432 4.772 4.340 0.000 0.000 0.283 486 R C -1.067 175.217 176.300 -0.027 0.000 1.074 486 R CA -0.571 55.517 56.100 -0.020 0.000 0.925 486 R CB 2.037 32.286 30.300 -0.085 0.000 1.205 486 R HN 0.992 nan 8.270 nan 0.000 0.436 487 E N 5.089 125.282 120.200 -0.012 0.000 2.229 487 E HA 0.282 4.632 4.350 0.000 0.000 0.283 487 E C -2.302 174.284 176.600 -0.023 0.000 1.030 487 E CA -2.016 54.376 56.400 -0.014 0.000 0.836 487 E CB 1.068 30.765 29.700 -0.004 0.000 1.068 487 E HN 0.281 nan 8.360 nan 0.000 0.401 488 P HA 0.024 nan 4.420 nan 0.000 0.260 488 P C 0.342 177.627 177.300 -0.025 0.000 1.172 488 P CA 1.498 64.577 63.100 -0.036 0.000 0.760 488 P CB 0.571 32.253 31.700 -0.029 0.000 0.773 489 G N 1.870 110.653 108.800 -0.028 0.000 2.194 489 G HA2 -0.255 3.706 3.960 0.000 0.000 0.236 489 G HA3 -0.255 3.706 3.960 0.000 0.000 0.236 489 G C 0.233 175.130 174.900 -0.005 0.000 0.987 489 G CA -0.366 44.725 45.100 -0.016 0.000 0.635 489 G HN 0.589 nan 8.290 nan 0.000 0.520 490 Q N 0.585 120.384 119.800 -0.002 0.000 2.297 490 Q HA 0.366 4.706 4.340 0.000 0.000 0.267 490 Q C 0.747 176.766 176.000 0.032 0.000 1.006 490 Q CA 0.020 55.833 55.803 0.017 0.000 0.896 490 Q CB 0.597 29.349 28.738 0.025 0.000 1.186 490 Q HN 0.304 nan 8.270 nan 0.000 0.392 491 D N 2.893 123.315 120.400 0.036 0.000 2.327 491 D HA 0.077 4.717 4.640 0.000 0.000 0.205 491 D C -0.458 175.882 176.300 0.067 0.000 0.989 491 D CA 0.362 54.391 54.000 0.047 0.000 0.873 491 D CB 0.503 41.323 40.800 0.034 0.000 0.955 491 D HN 0.420 nan 8.370 nan 0.000 0.515 492 L N 0.630 121.893 121.223 0.066 0.000 2.493 492 L HA 0.394 4.734 4.340 0.000 0.000 0.265 492 L C -1.812 175.106 176.870 0.081 0.000 0.954 492 L CA -0.522 54.363 54.840 0.076 0.000 0.844 492 L CB 2.294 44.387 42.059 0.056 0.000 1.302 492 L HN -0.364 nan 8.230 nan 0.000 0.405 493 V N 4.307 124.285 119.914 0.106 0.000 2.735 493 V HA 0.648 4.769 4.120 0.000 0.000 0.310 493 V C -0.442 175.736 176.094 0.141 0.000 1.061 493 V CA -0.721 61.632 62.300 0.088 0.000 0.913 493 V CB 1.943 33.801 31.823 0.059 0.000 1.005 493 V HN 0.542 nan 8.190 nan 0.000 0.428 494 V N 4.273 124.242 119.914 0.091 0.000 2.581 494 V HA 0.593 4.713 4.120 0.000 0.000 0.303 494 V C -0.581 175.559 176.094 0.076 0.000 1.041 494 V CA -0.674 61.686 62.300 0.100 0.000 0.907 494 V CB 1.776 33.622 31.823 0.039 0.000 0.994 494 V HN 0.697 nan 8.190 nan 0.000 0.442 495 L N 6.904 128.188 121.223 0.100 0.000 2.325 495 L HA 0.710 5.051 4.340 0.000 0.000 0.281 495 L C -2.553 174.293 176.870 -0.040 0.000 1.004 495 L CA -1.798 53.050 54.840 0.013 0.000 0.823 495 L CB 2.119 44.198 42.059 0.034 0.000 1.236 495 L HN 0.428 nan 8.230 nan 0.000 0.415 496 P HA 0.183 nan 4.420 nan 0.000 0.266 496 P C -0.982 176.277 177.300 -0.069 0.000 1.586 496 P CA -0.264 62.805 63.100 -0.051 0.000 1.088 496 P CB 0.684 32.367 31.700 -0.029 0.000 1.584 497 L N 2.796 123.960 121.223 -0.099 0.000 2.257 497 L HA 0.366 4.706 4.340 0.000 0.000 0.290 497 L C 0.271 177.050 176.870 -0.151 0.000 1.044 497 L CA -0.127 54.639 54.840 -0.124 0.000 0.810 497 L CB 1.253 43.208 42.059 -0.174 0.000 1.193 497 L HN 0.108 nan 8.230 nan 0.000 0.425 498 S N 5.971 121.611 115.700 -0.100 0.000 2.399 498 S HA 0.450 4.920 4.470 0.000 0.000 0.301 498 S C -0.022 174.494 174.600 -0.140 0.000 1.093 498 S CA -0.696 57.449 58.200 -0.091 0.000 1.077 498 S CB -0.242 62.947 63.200 -0.019 0.000 0.980 498 S HN 0.389 nan 8.310 nan 0.000 0.494 499 I N 5.490 125.901 120.570 -0.265 0.000 2.471 499 I HA 0.187 4.357 4.170 0.000 0.000 0.286 499 I C 1.312 177.409 176.117 -0.034 0.000 1.079 499 I CA 0.143 61.194 61.300 -0.416 0.000 1.398 499 I CB 0.396 38.109 38.000 -0.479 0.000 1.403 499 I HN 0.610 nan 8.210 nan 0.000 0.530 500 T N 1.062 115.775 114.554 0.264 0.000 2.844 500 T HA 0.312 4.662 4.350 0.000 0.000 0.274 500 T C 0.965 175.770 174.700 0.174 0.000 0.991 500 T CA -0.366 61.845 62.100 0.185 0.000 0.983 500 T CB 1.140 70.094 68.868 0.143 0.000 1.310 500 T HN 0.593 nan 8.240 nan 0.000 0.596 501 T N -1.591 113.001 114.554 0.064 0.000 3.439 501 T HA 0.156 4.506 4.350 0.000 0.000 0.251 501 T C 0.075 174.757 174.700 -0.029 0.000 1.108 501 T CA -0.010 62.100 62.100 0.017 0.000 0.982 501 T CB -0.632 68.242 68.868 0.011 0.000 1.024 501 T HN 0.512 nan 8.240 nan 0.000 0.573 502 D N -0.200 120.156 120.400 -0.073 0.000 2.398 502 D HA 0.263 4.903 4.640 0.000 0.000 0.210 502 D C 0.464 176.514 176.300 -0.418 0.000 1.094 502 D CA -0.087 53.755 54.000 -0.262 0.000 0.839 502 D CB 0.061 40.626 40.800 -0.391 0.000 0.963 502 D HN 0.501 nan 8.370 nan 0.000 0.506 503 F N 0.262 120.136 119.950 -0.126 0.000 2.704 503 F HA 0.310 4.837 4.527 0.001 0.000 0.304 503 F C 0.907 176.668 175.800 -0.065 0.000 1.094 503 F CA -0.362 57.573 58.000 -0.109 0.000 1.275 503 F CB 0.274 39.116 39.000 -0.264 0.000 1.073 503 F HN -0.226 nan 8.300 nan 0.000 0.586 504 I N 3.349 123.893 120.570 -0.044 0.000 2.648 504 I HA 0.021 4.192 4.170 0.000 0.000 0.284 504 I C -1.244 174.674 176.117 -0.332 0.000 1.153 504 I CA -1.315 59.818 61.300 -0.278 0.000 1.426 504 I CB 0.392 38.079 38.000 -0.521 0.000 1.381 504 I HN -0.143 nan 8.210 nan 0.000 0.571 505 P HA 0.003 nan 4.420 nan 0.000 0.226 505 P C -0.002 177.256 177.300 -0.069 0.000 1.161 505 P CA 0.610 63.557 63.100 -0.254 0.000 0.804 505 P CB 0.407 32.019 31.700 -0.147 0.000 0.829 506 S N -0.599 115.125 115.700 0.040 0.000 2.565 506 S HA 0.692 5.162 4.470 0.000 0.000 0.269 506 S C -1.202 173.503 174.600 0.175 0.000 1.153 506 S CA -0.852 57.350 58.200 0.004 0.000 0.835 506 S CB 1.145 64.365 63.200 0.035 0.000 1.122 506 S HN 0.076 nan 8.310 nan 0.000 0.462 507 F N -0.675 119.226 119.950 -0.083 0.000 2.588 507 F HA 0.827 5.354 4.527 0.000 0.000 0.310 507 F C -0.556 175.269 175.800 0.041 0.000 1.082 507 F CA -1.118 56.924 58.000 0.070 0.000 0.929 507 F CB 1.407 40.562 39.000 0.259 0.000 1.254 507 F HN 0.712 nan 8.300 nan 0.000 0.455 508 R N 1.838 122.477 120.500 0.232 0.000 2.536 508 R HA 0.761 5.101 4.340 0.000 0.000 0.279 508 R C -1.706 174.742 176.300 0.246 0.000 1.001 508 R CA -1.242 54.954 56.100 0.160 0.000 1.027 508 R CB 2.012 32.433 30.300 0.202 0.000 1.096 508 R HN 0.819 nan 8.270 nan 0.000 0.502 509 L N 2.064 123.372 121.223 0.141 0.000 2.406 509 L HA 0.372 4.712 4.340 0.000 0.000 0.270 509 L C -1.484 175.441 176.870 0.091 0.000 0.982 509 L CA -0.531 54.421 54.840 0.186 0.000 0.843 509 L CB 1.984 44.148 42.059 0.174 0.000 1.225 509 L HN 0.279 nan 8.230 nan 0.000 0.412 510 V N 4.675 124.662 119.914 0.121 0.000 2.398 510 V HA 0.888 5.009 4.120 0.000 0.000 0.286 510 V C 0.262 176.469 176.094 0.188 0.000 1.026 510 V CA -0.134 62.172 62.300 0.009 0.000 0.868 510 V CB 1.154 32.880 31.823 -0.163 0.000 0.982 510 V HN 0.914 nan 8.190 nan 0.000 0.443 511 A N 5.386 128.315 122.820 0.183 0.000 2.386 511 A HA 0.975 5.295 4.320 0.000 0.000 0.311 511 A C -1.172 176.678 177.584 0.443 0.000 1.068 511 A CA -0.564 51.713 52.037 0.399 0.000 0.743 511 A CB 1.526 20.826 19.000 0.500 0.000 1.258 511 A HN 1.191 nan 8.150 nan 0.000 0.429 512 Y N -0.265 120.276 120.300 0.401 0.000 2.625 512 Y HA 0.795 5.345 4.550 0.000 0.000 0.338 512 Y C -1.342 174.803 175.900 0.409 0.000 1.123 512 Y CA -1.576 56.708 58.100 0.306 0.000 1.046 512 Y CB 1.137 39.696 38.460 0.164 0.000 1.299 512 Y HN 1.020 nan 8.280 nan 0.000 0.464 513 Y N -0.789 119.629 120.300 0.196 0.000 2.534 513 Y HA 0.786 5.337 4.550 0.000 0.000 0.345 513 Y C -1.103 174.816 175.900 0.032 0.000 1.031 513 Y CA -1.062 56.999 58.100 -0.065 0.000 1.022 513 Y CB 1.885 40.248 38.460 -0.161 0.000 1.292 513 Y HN 0.937 nan 8.280 nan 0.000 0.459 514 T N 4.666 119.206 114.554 -0.023 0.000 2.906 514 T HA 0.841 5.191 4.350 0.000 0.000 0.295 514 T C -1.322 173.289 174.700 -0.148 0.000 1.061 514 T CA -0.496 61.536 62.100 -0.114 0.000 1.000 514 T CB 1.059 69.795 68.868 -0.220 0.000 1.103 514 T HN 1.196 nan 8.240 nan 0.000 0.486 515 L N 1.023 122.176 121.223 -0.117 0.000 2.999 515 L HA 0.684 5.024 4.340 0.000 0.000 0.274 515 L C -1.399 175.400 176.870 -0.118 0.000 1.044 515 L CA -1.537 53.238 54.840 -0.108 0.000 0.943 515 L CB 1.289 43.307 42.059 -0.068 0.000 1.522 515 L HN 0.573 nan 8.230 nan 0.000 0.400 516 I N 1.960 122.460 120.570 -0.117 0.000 2.517 516 I HA 0.375 4.545 4.170 0.000 0.000 0.285 516 I C 1.277 177.257 176.117 -0.228 0.000 1.106 516 I CA 0.378 61.596 61.300 -0.137 0.000 1.402 516 I CB 0.440 38.378 38.000 -0.104 0.000 1.399 516 I HN 0.757 nan 8.210 nan 0.000 0.535 517 G N 3.870 112.538 108.800 -0.221 0.000 2.653 517 G HA2 0.353 4.313 3.960 0.000 0.000 0.265 517 G HA3 0.353 4.313 3.960 0.000 0.000 0.265 517 G C 0.953 175.598 174.900 -0.425 0.000 1.237 517 G CA 0.027 44.963 45.100 -0.273 0.000 0.946 517 G HN 0.790 nan 8.290 nan 0.000 0.522 518 A N -0.803 121.820 122.820 -0.328 0.000 1.929 518 A HA 0.065 4.385 4.320 0.000 0.000 0.216 518 A C 2.559 180.123 177.584 -0.034 0.000 1.176 518 A CA 2.304 54.237 52.037 -0.174 0.000 0.628 518 A CB -0.595 18.444 19.000 0.065 0.000 0.816 518 A HN 0.623 nan 8.150 nan 0.000 0.444 519 S N -2.658 113.009 115.700 -0.056 0.000 2.371 519 S HA 0.337 4.807 4.470 0.000 0.000 0.219 519 S C 1.419 175.994 174.600 -0.041 0.000 1.040 519 S CA 1.767 59.950 58.200 -0.029 0.000 0.958 519 S CB 0.143 63.325 63.200 -0.030 0.000 0.860 519 S HN 1.096 nan 8.310 nan 0.000 0.487 520 G N -0.253 108.507 108.800 -0.067 0.000 4.044 520 G HA2 0.098 4.058 3.960 0.000 0.000 0.189 520 G HA3 0.098 4.058 3.960 0.000 0.000 0.189 520 G C -0.226 174.631 174.900 -0.070 0.000 0.838 520 G CA -0.431 44.632 45.100 -0.061 0.000 0.876 520 G HN 0.422 nan 8.290 nan 0.000 0.419 521 Q N 0.405 120.159 119.800 -0.076 0.000 2.318 521 Q HA 0.719 5.059 4.340 0.000 0.000 0.222 521 Q C 0.336 176.275 176.000 -0.101 0.000 1.003 521 Q CA -0.471 55.285 55.803 -0.078 0.000 0.936 521 Q CB 0.760 29.454 28.738 -0.074 0.000 1.204 521 Q HN 0.307 nan 8.270 nan 0.000 0.524 522 R N 0.781 121.222 120.500 -0.097 0.000 2.491 522 R HA 0.126 4.466 4.340 0.000 0.000 0.283 522 R C -0.865 175.347 176.300 -0.146 0.000 1.072 522 R CA 0.239 56.273 56.100 -0.111 0.000 1.048 522 R CB 0.486 30.733 30.300 -0.087 0.000 0.983 522 R HN 0.622 nan 8.270 nan 0.000 0.450 523 E N 3.253 123.360 120.200 -0.155 0.000 2.191 523 E HA 0.342 4.692 4.350 0.000 0.000 0.263 523 E C -1.509 174.970 176.600 -0.202 0.000 0.881 523 E CA -0.823 55.462 56.400 -0.192 0.000 0.757 523 E CB 1.358 30.962 29.700 -0.160 0.000 1.147 523 E HN 0.386 nan 8.360 nan 0.000 0.414 524 V N 5.660 125.413 119.914 -0.270 0.000 2.327 524 V HA 0.201 4.321 4.120 0.000 0.000 0.272 524 V C -0.268 175.682 176.094 -0.240 0.000 1.019 524 V CA -0.778 61.389 62.300 -0.220 0.000 0.814 524 V CB 1.104 32.860 31.823 -0.111 0.000 1.040 524 V HN 0.490 nan 8.190 nan 0.000 0.440 525 V N 3.220 122.898 119.914 -0.393 0.000 2.583 525 V HA 0.855 4.976 4.120 0.000 0.000 0.287 525 V C 0.590 176.622 176.094 -0.103 0.000 1.051 525 V CA 0.049 62.181 62.300 -0.281 0.000 1.010 525 V CB 1.289 32.813 31.823 -0.499 0.000 0.988 525 V HN 0.906 nan 8.190 nan 0.000 0.478 526 A N 3.375 126.280 122.820 0.143 0.000 2.566 526 A HA 0.870 5.190 4.320 0.000 0.000 0.292 526 A C -1.305 176.360 177.584 0.135 0.000 1.112 526 A CA -0.523 51.624 52.037 0.183 0.000 0.707 526 A CB 2.207 21.361 19.000 0.257 0.000 1.302 526 A HN 0.771 nan 8.150 nan 0.000 0.409 527 D N -1.052 119.372 120.400 0.041 0.000 2.623 527 D HA 0.635 5.276 4.640 0.000 0.000 0.241 527 D C -0.842 175.407 176.300 -0.085 0.000 1.241 527 D CA 0.433 54.439 54.000 0.010 0.000 0.788 527 D CB 2.058 42.884 40.800 0.042 0.000 1.413 527 D HN 0.855 nan 8.370 nan 0.000 0.429 528 S N 0.269 115.927 115.700 -0.070 0.000 2.570 528 S HA 0.844 5.314 4.470 0.000 0.000 0.286 528 S C -1.475 173.106 174.600 -0.032 0.000 1.099 528 S CA -0.738 57.418 58.200 -0.074 0.000 0.913 528 S CB 1.815 64.958 63.200 -0.097 0.000 1.085 528 S HN 0.455 nan 8.310 nan 0.000 0.480 529 V N 1.739 121.633 119.914 -0.033 0.000 2.925 529 V HA 0.757 4.877 4.120 0.000 0.000 0.311 529 V C -2.076 174.020 176.094 0.004 0.000 1.104 529 V CA -0.696 61.584 62.300 -0.034 0.000 0.954 529 V CB 2.126 33.868 31.823 -0.135 0.000 1.022 529 V HN 1.049 nan 8.190 nan 0.000 0.427 530 W N 5.740 126.930 121.300 -0.182 0.000 2.475 530 W HA 0.762 5.422 4.660 -0.000 0.000 0.317 530 W C -1.405 174.914 176.519 -0.334 0.000 1.046 530 W CA -0.471 56.731 57.345 -0.238 0.000 1.215 530 W CB 1.707 31.077 29.460 -0.150 0.000 1.335 530 W HN 0.457 nan 8.180 nan 0.000 0.471 531 V N 6.200 125.390 119.914 -1.207 0.000 2.487 531 V HA 0.196 4.316 4.120 0.000 0.000 0.298 531 V C -0.747 174.460 176.094 -1.479 0.000 1.028 531 V CA -0.722 60.828 62.300 -1.249 0.000 0.860 531 V CB 1.585 32.734 31.823 -1.123 0.000 0.991 531 V HN 0.468 nan 8.190 nan 0.000 0.427 532 D N 3.186 122.863 120.400 -1.205 0.000 2.198 532 D HA 0.536 5.176 4.640 0.000 0.000 0.245 532 D C -0.241 175.836 176.300 -0.371 0.000 1.079 532 D CA -0.087 53.428 54.000 -0.807 0.000 0.854 532 D CB 1.863 42.277 40.800 -0.643 0.000 1.148 532 D HN 0.501 nan 8.370 nan 0.000 0.456 533 V N 1.100 120.890 119.914 -0.206 0.000 2.834 533 V HA 0.594 4.714 4.120 0.000 0.000 0.313 533 V C 0.475 176.511 176.094 -0.098 0.000 1.060 533 V CA -1.150 61.092 62.300 -0.098 0.000 0.989 533 V CB 1.356 33.175 31.823 -0.007 0.000 1.041 533 V HN 0.453 nan 8.190 nan 0.000 0.459 534 K N 1.360 121.716 120.400 -0.074 0.000 2.393 534 K HA 0.030 4.350 4.320 0.000 0.000 0.264 534 K C -0.140 176.405 176.600 -0.091 0.000 0.979 534 K CA 1.059 57.310 56.287 -0.060 0.000 0.893 534 K CB -0.029 32.446 32.500 -0.043 0.000 0.967 534 K HN 0.959 nan 8.250 nan 0.000 0.521 535 D N 1.517 121.873 120.400 -0.074 0.000 2.656 535 D HA 0.123 4.763 4.640 0.000 0.000 0.303 535 D C -0.653 175.613 176.300 -0.057 0.000 1.199 535 D CA -0.187 53.732 54.000 -0.135 0.000 0.797 535 D CB 0.455 41.203 40.800 -0.086 0.000 1.170 535 D HN 0.518 nan 8.370 nan 0.000 0.509 536 S N -1.303 114.369 115.700 -0.046 0.000 2.894 536 S HA 0.449 4.920 4.470 0.000 0.000 0.298 536 S C 0.289 174.976 174.600 0.145 0.000 1.054 536 S CA -0.539 57.710 58.200 0.082 0.000 0.903 536 S CB 1.269 64.499 63.200 0.050 0.000 1.356 536 S HN 0.275 nan 8.310 nan 0.000 0.626 537 C N 0.954 120.343 119.300 0.147 0.000 2.604 537 C HA 0.458 4.918 4.460 0.000 0.000 0.396 537 C C 2.179 177.245 174.990 0.128 0.000 1.282 537 C CA -0.280 58.844 59.018 0.177 0.000 2.292 537 C CB 0.298 28.097 27.740 0.098 0.000 2.633 537 C HN 0.620 nan 8.230 nan 0.000 0.620 538 V N 3.643 123.656 119.914 0.165 0.000 2.302 538 V HA 0.091 4.211 4.120 0.000 0.000 0.243 538 V C 1.723 177.855 176.094 0.064 0.000 1.036 538 V CA 2.134 64.495 62.300 0.101 0.000 1.020 538 V CB -1.262 30.638 31.823 0.130 0.000 0.657 538 V HN 1.056 nan 8.190 nan 0.000 0.453 539 G N -0.238 108.598 108.800 0.060 0.000 2.783 539 G HA2 0.468 4.428 3.960 0.000 0.000 0.182 539 G HA3 0.468 4.428 3.960 0.000 0.000 0.182 539 G C -0.177 174.743 174.900 0.035 0.000 1.516 539 G CA 0.565 45.688 45.100 0.038 0.000 1.079 539 G HN 0.710 nan 8.290 nan 0.000 0.573 540 S N -2.075 113.638 115.700 0.023 0.000 2.547 540 S HA 0.641 5.111 4.470 0.000 0.000 0.270 540 S C -1.665 172.939 174.600 0.006 0.000 1.150 540 S CA -0.679 57.532 58.200 0.018 0.000 0.850 540 S CB 1.970 65.181 63.200 0.018 0.000 1.118 540 S HN 1.085 nan 8.310 nan 0.000 0.461 541 L N 1.579 122.803 121.223 0.001 0.000 2.493 541 L HA 0.825 5.165 4.340 0.000 0.000 0.265 541 L C -1.833 175.035 176.870 -0.003 0.000 0.954 541 L CA -0.266 54.571 54.840 -0.006 0.000 0.844 541 L CB 2.052 44.099 42.059 -0.020 0.000 1.302 541 L HN 0.799 nan 8.230 nan 0.000 0.405 542 V N 4.901 124.814 119.914 -0.002 0.000 2.638 542 V HA 0.656 4.776 4.120 0.000 0.000 0.306 542 V C -0.824 175.267 176.094 -0.004 0.000 1.052 542 V CA -0.738 61.561 62.300 -0.001 0.000 0.885 542 V CB 2.192 34.017 31.823 0.002 0.000 0.999 542 V HN 0.465 nan 8.190 nan 0.000 0.424 543 V N 5.380 125.290 119.914 -0.007 0.000 2.448 543 V HA 0.706 4.827 4.120 0.000 0.000 0.295 543 V C -0.135 175.954 176.094 -0.008 0.000 1.025 543 V CA -0.624 61.671 62.300 -0.009 0.000 0.859 543 V CB 1.520 33.334 31.823 -0.015 0.000 0.988 543 V HN 1.037 nan 8.190 nan 0.000 0.431 544 K N 1.594 121.990 120.400 -0.006 0.000 2.533 544 K HA 0.623 4.943 4.320 0.000 0.000 0.284 544 K C -0.568 176.030 176.600 -0.004 0.000 1.025 544 K CA -0.719 55.565 56.287 -0.004 0.000 0.900 544 K CB 1.913 34.412 32.500 -0.001 0.000 1.519 544 K HN 0.550 nan 8.250 nan 0.000 0.432 545 S N -0.390 115.308 115.700 -0.003 0.000 2.498 545 S HA 0.156 4.626 4.470 0.000 0.000 0.281 545 S C 1.045 175.644 174.600 -0.001 0.000 1.265 545 S CA -0.091 58.108 58.200 -0.003 0.000 1.071 545 S CB 0.690 63.889 63.200 -0.001 0.000 0.894 545 S HN 0.807 nan 8.310 nan 0.000 0.491 546 G N 2.395 111.194 108.800 -0.002 0.000 2.430 546 G HA2 -0.024 3.937 3.960 0.000 0.000 0.216 546 G HA3 -0.024 3.937 3.960 0.000 0.000 0.216 546 G C 0.738 175.638 174.900 -0.000 0.000 1.146 546 G CA 0.041 45.140 45.100 -0.001 0.000 0.793 546 G HN 0.905 nan 8.290 nan 0.000 0.537 547 Q N 0.169 119.969 119.800 -0.001 0.000 2.417 547 Q HA 0.284 4.624 4.340 0.000 0.000 0.241 547 Q C 0.017 176.017 176.000 -0.000 0.000 1.008 547 Q CA -0.114 55.688 55.803 -0.001 0.000 0.901 547 Q CB 0.838 29.575 28.738 -0.002 0.000 1.259 547 Q HN -0.014 nan 8.270 nan 0.000 0.489 548 S N 0.965 116.665 115.700 -0.000 0.000 3.593 548 S HA -0.050 4.420 4.470 0.000 0.000 0.224 548 S C 0.632 175.232 174.600 0.001 0.000 1.333 548 S CA 0.773 58.973 58.200 0.000 0.000 1.164 548 S CB -1.154 62.047 63.200 0.000 0.000 1.281 548 S HN 0.853 nan 8.310 nan 0.000 0.457 549 E N 0.463 120.664 120.200 0.001 0.000 4.052 549 E HA -0.398 3.952 4.350 0.000 0.000 0.197 549 E C 0.408 177.009 176.600 0.002 0.000 1.231 549 E CA 2.051 58.452 56.400 0.002 0.000 2.254 549 E CB -1.778 27.923 29.700 0.003 0.000 1.844 549 E HN 0.679 nan 8.360 nan 0.000 0.340 550 D N -0.523 119.878 120.400 0.001 0.000 4.134 550 D HA -0.235 4.405 4.640 0.000 0.000 0.141 550 D C 0.438 176.739 176.300 0.001 0.000 0.779 550 D CA 2.074 56.075 54.000 0.001 0.000 1.126 550 D CB -0.827 39.972 40.800 -0.001 0.000 0.523 550 D HN 0.369 nan 8.370 nan 0.000 0.513 551 R N 1.510 122.010 120.500 0.000 0.000 2.930 551 R HA 0.359 4.699 4.340 0.000 0.000 0.257 551 R C -0.364 175.937 176.300 0.001 0.000 1.107 551 R CA -0.497 55.603 56.100 0.000 0.000 0.999 551 R CB 0.821 31.120 30.300 -0.002 0.000 1.209 551 R HN 0.599 nan 8.270 nan 0.000 0.486 552 Q N 1.633 121.434 119.800 0.002 0.000 2.394 552 Q HA 0.362 4.702 4.340 0.000 0.000 0.248 552 Q C -1.869 174.130 176.000 -0.002 0.000 0.992 552 Q CA -1.582 54.223 55.803 0.004 0.000 0.888 552 Q CB -0.286 28.458 28.738 0.010 0.000 1.257 552 Q HN 0.203 nan 8.270 nan 0.000 0.462 553 P HA -0.021 nan 4.420 nan 0.000 0.267 553 P C -1.006 176.285 177.300 -0.016 0.000 1.200 553 P CA -0.198 62.898 63.100 -0.007 0.000 0.772 553 P CB 0.753 32.451 31.700 -0.003 0.000 0.855 554 V N 3.605 123.507 119.914 -0.021 0.000 2.914 554 V HA 0.435 4.555 4.120 0.000 0.000 0.314 554 V C -2.418 173.657 176.094 -0.031 0.000 1.084 554 V CA -2.648 59.632 62.300 -0.033 0.000 0.963 554 V CB 1.823 33.626 31.823 -0.033 0.000 1.025 554 V HN 0.437 nan 8.190 nan 0.000 0.432 555 P HA 0.231 nan 4.420 nan 0.000 0.261 555 P C 0.538 177.823 177.300 -0.024 0.000 1.173 555 P CA 1.553 64.633 63.100 -0.033 0.000 0.760 555 P CB 0.398 32.072 31.700 -0.044 0.000 0.783 556 G N 1.186 109.976 108.800 -0.017 0.000 2.221 556 G HA2 -0.280 3.680 3.960 0.000 0.000 0.265 556 G HA3 -0.280 3.680 3.960 0.000 0.000 0.265 556 G C 0.013 174.906 174.900 -0.013 0.000 1.041 556 G CA -0.062 45.030 45.100 -0.013 0.000 0.807 556 G HN 0.703 nan 8.290 nan 0.000 0.502 557 Q N -0.643 119.149 119.800 -0.013 0.000 2.226 557 Q HA 0.509 4.849 4.340 0.000 0.000 0.256 557 Q C 0.202 176.196 176.000 -0.009 0.000 0.962 557 Q CA -0.742 55.053 55.803 -0.012 0.000 0.887 557 Q CB 0.858 29.588 28.738 -0.013 0.000 1.282 557 Q HN 0.423 nan 8.270 nan 0.000 0.449 558 Q N 3.583 123.378 119.800 -0.008 0.000 2.288 558 Q HA 0.378 4.718 4.340 0.000 0.000 0.258 558 Q C -1.055 174.941 176.000 -0.006 0.000 0.957 558 Q CA -0.101 55.698 55.803 -0.007 0.000 0.919 558 Q CB 0.568 29.302 28.738 -0.006 0.000 1.185 558 Q HN 0.655 nan 8.270 nan 0.000 0.408 559 M N 1.146 120.743 119.600 -0.006 0.000 2.531 559 M HA 0.554 5.034 4.480 0.000 0.000 0.286 559 M C -1.388 174.909 176.300 -0.005 0.000 1.232 559 M CA -0.724 54.572 55.300 -0.005 0.000 0.877 559 M CB 2.439 35.036 32.600 -0.006 0.000 1.726 559 M HN 0.256 nan 8.290 nan 0.000 0.463 560 T N 2.701 117.253 114.554 -0.004 0.000 2.829 560 T HA 0.694 5.045 4.350 0.000 0.000 0.282 560 T C -1.070 173.628 174.700 -0.004 0.000 0.990 560 T CA -0.502 61.596 62.100 -0.003 0.000 1.028 560 T CB 1.274 70.141 68.868 -0.002 0.000 0.951 560 T HN 0.557 nan 8.240 nan 0.000 0.460 561 L N 3.058 124.279 121.223 -0.004 0.000 2.333 561 L HA 0.487 4.827 4.340 0.000 0.000 0.280 561 L C -0.113 176.756 176.870 -0.003 0.000 1.004 561 L CA -0.437 54.401 54.840 -0.004 0.000 0.820 561 L CB 1.496 43.551 42.059 -0.006 0.000 1.247 561 L HN 0.454 nan 8.230 nan 0.000 0.416 562 K N 5.262 125.661 120.400 -0.002 0.000 2.211 562 K HA 0.562 4.882 4.320 0.000 0.000 0.275 562 K C -1.194 175.406 176.600 -0.001 0.000 1.024 562 K CA -0.437 55.850 56.287 -0.000 0.000 0.887 562 K CB 0.734 33.234 32.500 0.001 0.000 1.084 562 K HN 0.575 nan 8.250 nan 0.000 0.463 563 I N 4.120 124.691 120.570 0.001 0.000 2.382 563 I HA 0.173 4.344 4.170 0.000 0.000 0.285 563 I C -0.599 175.521 176.117 0.005 0.000 1.007 563 I CA -0.544 60.757 61.300 0.001 0.000 1.142 563 I CB 1.728 39.728 38.000 -0.000 0.000 1.289 563 I HN 0.532 nan 8.210 nan 0.000 0.453 564 E N 5.140 125.343 120.200 0.005 0.000 2.103 564 E HA 0.463 4.813 4.350 0.000 0.000 0.254 564 E C 0.203 176.808 176.600 0.009 0.000 0.940 564 E CA -0.315 56.090 56.400 0.009 0.000 0.771 564 E CB 1.453 31.158 29.700 0.008 0.000 1.153 564 E HN 0.786 nan 8.360 nan 0.000 0.428 565 G N 1.759 110.567 108.800 0.013 0.000 3.209 565 G HA2 0.255 4.215 3.960 0.000 0.000 0.236 565 G HA3 0.255 4.215 3.960 0.000 0.000 0.236 565 G C -0.774 174.142 174.900 0.026 0.000 1.329 565 G CA -0.655 44.453 45.100 0.012 0.000 1.015 565 G HN 0.286 nan 8.290 nan 0.000 0.571 566 D N 0.056 120.470 120.400 0.024 0.000 2.210 566 D HA 0.231 4.871 4.640 0.000 0.000 0.249 566 D C -0.304 176.033 176.300 0.062 0.000 1.062 566 D CA -0.184 53.843 54.000 0.045 0.000 0.891 566 D CB 1.748 42.567 40.800 0.032 0.000 1.186 566 D HN 0.389 nan 8.370 nan 0.000 0.432 567 H N 0.237 119.310 119.070 0.004 0.000 3.064 567 H HA 0.149 4.705 4.556 0.002 0.000 0.329 567 H C 1.535 176.866 175.328 0.005 0.000 1.020 567 H CA 1.722 57.772 56.048 0.004 0.000 1.402 567 H CB 0.327 30.092 29.762 0.005 0.000 1.379 567 H HN 0.711 nan 8.280 nan 0.000 0.594 568 G N 2.345 110.761 108.800 -0.641 0.000 2.257 568 G HA2 -0.315 3.645 3.960 0.000 0.000 0.267 568 G HA3 -0.315 3.645 3.960 0.000 0.000 0.267 568 G C 0.588 175.380 174.900 -0.181 0.000 0.984 568 G CA 0.524 45.355 45.100 -0.448 0.000 0.626 568 G HN 1.070 nan 8.290 nan 0.000 0.540 569 A N 0.081 122.834 122.820 -0.111 0.000 2.445 569 A HA 0.611 4.931 4.320 0.000 0.000 0.242 569 A C 0.765 178.324 177.584 -0.043 0.000 1.075 569 A CA 0.566 52.570 52.037 -0.055 0.000 0.777 569 A CB 0.276 19.257 19.000 -0.032 0.000 1.013 569 A HN 0.595 nan 8.150 nan 0.000 0.493 570 R N 1.391 121.877 120.500 -0.022 0.000 2.294 570 R HA 0.525 4.865 4.340 0.000 0.000 0.319 570 R C -1.578 174.725 176.300 0.005 0.000 0.984 570 R CA -0.346 55.751 56.100 -0.004 0.000 0.861 570 R CB 1.118 31.427 30.300 0.015 0.000 1.104 570 R HN 0.495 nan 8.270 nan 0.000 0.451 571 V N 5.865 125.782 119.914 0.006 0.000 2.378 571 V HA 0.242 4.362 4.120 0.000 0.000 0.288 571 V C -0.105 176.005 176.094 0.027 0.000 1.016 571 V CA -0.821 61.483 62.300 0.007 0.000 0.840 571 V CB 1.553 33.374 31.823 -0.004 0.000 0.994 571 V HN 0.569 nan 8.190 nan 0.000 0.431 572 V N 4.533 124.479 119.914 0.053 0.000 2.427 572 V HA 0.772 4.893 4.120 0.000 0.000 0.286 572 V C -0.570 175.555 176.094 0.053 0.000 1.034 572 V CA -0.504 61.840 62.300 0.074 0.000 0.893 572 V CB 1.227 33.144 31.823 0.158 0.000 0.982 572 V HN 0.595 nan 8.190 nan 0.000 0.452 573 L N 5.086 126.331 121.223 0.035 0.000 2.333 573 L HA 0.897 5.237 4.340 0.000 0.000 0.269 573 L C -0.215 176.670 176.870 0.024 0.000 1.010 573 L CA -0.604 54.248 54.840 0.021 0.000 0.818 573 L CB 2.038 44.101 42.059 0.006 0.000 1.306 573 L HN 0.668 nan 8.230 nan 0.000 0.430 574 V N 0.777 120.700 119.914 0.015 0.000 3.012 574 V HA 0.885 5.006 4.120 0.000 0.000 0.307 574 V C -1.441 174.645 176.094 -0.013 0.000 1.166 574 V CA -0.371 61.937 62.300 0.012 0.000 0.974 574 V CB 2.277 34.121 31.823 0.036 0.000 1.040 574 V HN 0.810 nan 8.190 nan 0.000 0.428 575 A N 5.121 127.930 122.820 -0.017 0.000 2.310 575 A HA 0.834 5.154 4.320 0.000 0.000 0.304 575 A C -0.723 176.839 177.584 -0.037 0.000 1.231 575 A CA -0.185 51.829 52.037 -0.038 0.000 0.799 575 A CB 1.218 20.201 19.000 -0.028 0.000 1.162 575 A HN 1.739 nan 8.150 nan 0.000 0.486 576 V N 0.339 120.212 119.914 -0.069 0.000 2.919 576 V HA 0.686 4.806 4.120 0.000 0.000 0.316 576 V C -0.197 175.862 176.094 -0.058 0.000 1.077 576 V CA -0.860 61.409 62.300 -0.050 0.000 0.977 576 V CB 1.536 33.346 31.823 -0.021 0.000 1.039 576 V HN 0.806 nan 8.190 nan 0.000 0.441 577 D N 1.125 121.513 120.400 -0.020 0.000 2.371 577 D HA 0.221 4.862 4.640 0.000 0.000 0.242 577 D C 0.902 177.220 176.300 0.031 0.000 1.218 577 D CA -0.203 53.796 54.000 -0.002 0.000 0.945 577 D CB 1.132 41.935 40.800 0.005 0.000 1.137 577 D HN 0.702 nan 8.370 nan 0.000 0.464 578 K N 0.761 121.189 120.400 0.046 0.000 2.186 578 K HA 0.011 4.332 4.320 0.000 0.000 0.202 578 K C 1.809 178.472 176.600 0.105 0.000 1.052 578 K CA 0.648 56.996 56.287 0.102 0.000 0.965 578 K CB -0.172 32.373 32.500 0.075 0.000 0.746 578 K HN 0.595 nan 8.250 nan 0.000 0.457 579 G N 0.865 109.687 108.800 0.036 0.000 2.422 579 G HA2 -0.163 3.797 3.960 0.000 0.000 0.218 579 G HA3 -0.163 3.797 3.960 0.000 0.000 0.218 579 G C 1.430 176.321 174.900 -0.015 0.000 1.140 579 G CA 1.162 46.253 45.100 -0.015 0.000 0.775 579 G HN 0.265 nan 8.290 nan 0.000 0.545 580 V N -2.902 117.017 119.914 0.009 0.000 2.825 580 V HA 0.285 4.406 4.120 0.000 0.000 0.246 580 V C 2.303 178.420 176.094 0.040 0.000 1.068 580 V CA 0.870 63.165 62.300 -0.008 0.000 1.088 580 V CB -0.670 31.123 31.823 -0.050 0.000 0.733 580 V HN 0.145 nan 8.190 nan 0.000 0.468 581 F N 1.969 121.891 119.950 -0.047 0.000 2.186 581 F HA 0.005 4.532 4.527 -0.001 0.000 0.299 581 F C 1.966 177.757 175.800 -0.016 0.000 1.090 581 F CA 1.920 59.904 58.000 -0.026 0.000 1.307 581 F CB 0.013 39.003 39.000 -0.017 0.000 1.019 581 F HN 0.024 nan 8.300 nan 0.000 0.489 582 V N 0.645 120.555 119.914 -0.006 0.000 3.573 582 V HA -0.113 4.007 4.120 0.000 0.000 0.270 582 V C 1.930 177.962 176.094 -0.105 0.000 1.221 582 V CA 0.662 62.909 62.300 -0.089 0.000 1.163 582 V CB -0.315 31.516 31.823 0.013 0.000 0.847 582 V HN 0.343 nan 8.190 nan 0.000 0.468 583 L N 0.236 121.406 121.223 -0.089 0.000 2.611 583 L HA 0.102 4.442 4.340 0.000 0.000 0.229 583 L C 1.801 178.625 176.870 -0.077 0.000 1.137 583 L CA 0.351 55.147 54.840 -0.073 0.000 0.901 583 L CB -0.436 41.591 42.059 -0.054 0.000 1.098 583 L HN 0.479 nan 8.230 nan 0.000 0.456 584 N N 0.900 119.525 118.700 -0.126 0.000 2.000 584 N HA -0.226 4.514 4.740 0.000 0.000 0.197 584 N C 0.951 176.429 175.510 -0.053 0.000 1.076 584 N CA 1.795 54.784 53.050 -0.101 0.000 0.869 584 N CB 0.192 38.574 38.487 -0.176 0.000 1.068 584 N HN 0.087 nan 8.380 nan 0.000 0.426 585 K N -0.665 119.699 120.400 -0.060 0.000 2.455 585 K HA 0.199 4.519 4.320 0.000 0.000 0.206 585 K C 0.419 176.982 176.600 -0.061 0.000 1.027 585 K CA -0.053 56.177 56.287 -0.096 0.000 1.113 585 K CB 0.873 33.322 32.500 -0.086 0.000 0.850 585 K HN 0.143 nan 8.250 nan 0.000 0.503 586 K N -0.320 120.064 120.400 -0.026 0.000 2.436 586 K HA 0.141 4.461 4.320 0.000 0.000 0.198 586 K C 0.925 177.542 176.600 0.028 0.000 1.174 586 K CA 0.133 56.423 56.287 0.005 0.000 0.951 586 K CB 0.498 33.007 32.500 0.015 0.000 1.040 586 K HN 0.029 nan 8.250 nan 0.000 0.536 587 N N 1.716 120.436 118.700 0.033 0.000 2.362 587 N HA 0.031 4.771 4.740 0.000 0.000 0.211 587 N C -0.743 174.804 175.510 0.062 0.000 1.170 587 N CA 0.027 53.118 53.050 0.068 0.000 0.828 587 N CB 0.358 38.903 38.487 0.097 0.000 1.034 587 N HN 0.070 nan 8.380 nan 0.000 0.475 588 K N 1.267 121.678 120.400 0.019 0.000 2.447 588 K HA -0.000 4.320 4.320 0.000 0.000 0.281 588 K C -0.146 176.492 176.600 0.063 0.000 1.031 588 K CA -0.100 56.193 56.287 0.010 0.000 1.019 588 K CB 0.940 33.406 32.500 -0.056 0.000 0.918 588 K HN 0.031 nan 8.250 nan 0.000 0.476 589 L N 4.768 126.045 121.223 0.090 0.000 2.387 589 L HA 0.068 4.408 4.340 0.000 0.000 0.267 589 L C -0.396 176.495 176.870 0.035 0.000 1.197 589 L CA 0.422 55.308 54.840 0.076 0.000 1.070 589 L CB -0.170 41.946 42.059 0.095 0.000 1.349 589 L HN 0.569 nan 8.230 nan 0.000 0.422 590 T N 0.435 115.004 114.554 0.025 0.000 2.881 590 T HA 0.125 4.476 4.350 0.000 0.000 0.278 590 T C 0.809 175.470 174.700 -0.064 0.000 0.982 590 T CA -0.485 61.621 62.100 0.010 0.000 0.989 590 T CB 1.543 70.438 68.868 0.046 0.000 1.058 590 T HN 0.359 nan 8.240 nan 0.000 0.529 591 Q N 1.160 120.926 119.800 -0.058 0.000 2.123 591 Q HA -0.086 4.254 4.340 0.000 0.000 0.199 591 Q C 2.437 178.416 176.000 -0.034 0.000 0.966 591 Q CA 1.994 57.722 55.803 -0.124 0.000 0.845 591 Q CB -0.687 28.046 28.738 -0.008 0.000 0.907 591 Q HN 0.790 nan 8.270 nan 0.000 0.439 592 S N -0.544 115.227 115.700 0.118 0.000 2.382 592 S HA -0.166 4.304 4.470 0.000 0.000 0.228 592 S C 1.887 176.582 174.600 0.157 0.000 1.027 592 S CA 1.323 59.652 58.200 0.215 0.000 0.991 592 S CB -0.321 62.976 63.200 0.163 0.000 0.823 592 S HN 0.273 nan 8.310 nan 0.000 0.469 593 K N 1.215 121.662 120.400 0.079 0.000 2.288 593 K HA 0.242 4.562 4.320 0.000 0.000 0.201 593 K C 1.735 178.392 176.600 0.096 0.000 1.048 593 K CA 0.926 57.269 56.287 0.094 0.000 0.956 593 K CB -0.452 32.097 32.500 0.081 0.000 0.746 593 K HN 0.525 nan 8.250 nan 0.000 0.461 594 I N -1.095 119.423 120.570 -0.087 0.000 2.286 594 I HA -0.188 3.983 4.170 0.000 0.000 0.245 594 I C 1.473 177.481 176.117 -0.182 0.000 1.104 594 I CA 1.037 62.175 61.300 -0.268 0.000 1.397 594 I CB -0.131 37.300 38.000 -0.949 0.000 1.072 594 I HN 0.263 nan 8.210 nan 0.000 0.417 595 W N 0.877 122.177 121.300 -0.000 0.000 2.402 595 W HA -0.153 4.509 4.660 0.003 0.000 0.286 595 W C 2.133 178.690 176.519 0.063 0.000 1.221 595 W CA 0.118 57.467 57.345 0.007 0.000 1.257 595 W CB -0.324 29.143 29.460 0.011 0.000 1.120 595 W HN 0.071 nan 8.180 nan 0.000 0.551 596 D N 0.118 120.692 120.400 0.289 0.000 2.144 596 D HA -0.156 4.484 4.640 0.000 0.000 0.199 596 D C 2.193 178.631 176.300 0.231 0.000 0.984 596 D CA 1.283 55.423 54.000 0.232 0.000 0.834 596 D CB -0.437 40.476 40.800 0.188 0.000 0.955 596 D HN 0.001 nan 8.370 nan 0.000 0.465 597 V N 0.332 120.390 119.914 0.240 0.000 2.626 597 V HA -0.150 3.970 4.120 0.000 0.000 0.252 597 V C 2.448 178.736 176.094 0.323 0.000 1.067 597 V CA 0.818 63.286 62.300 0.280 0.000 1.081 597 V CB -0.129 31.843 31.823 0.249 0.000 0.686 597 V HN 0.070 nan 8.190 nan 0.000 0.468 598 V N -0.750 119.228 119.914 0.106 0.000 2.591 598 V HA -0.080 4.040 4.120 0.000 0.000 0.249 598 V C 2.462 178.760 176.094 0.341 0.000 1.053 598 V CA 1.222 63.569 62.300 0.079 0.000 1.068 598 V CB -0.477 31.343 31.823 -0.004 0.000 0.689 598 V HN 0.498 nan 8.190 nan 0.000 0.462 599 E N 0.842 121.212 120.200 0.283 0.000 2.072 599 E HA -0.158 4.192 4.350 0.000 0.000 0.191 599 E C 2.067 178.793 176.600 0.210 0.000 0.985 599 E CA 0.928 57.472 56.400 0.240 0.000 0.801 599 E CB -0.133 29.694 29.700 0.211 0.000 0.750 599 E HN 0.567 nan 8.360 nan 0.000 0.452 600 K N 0.193 120.726 120.400 0.221 0.000 2.525 600 K HA 0.066 4.386 4.320 0.000 0.000 0.192 600 K C 1.545 178.261 176.600 0.193 0.000 1.029 600 K CA 0.545 56.939 56.287 0.178 0.000 1.029 600 K CB 0.282 32.883 32.500 0.167 0.000 0.814 600 K HN -0.017 nan 8.250 nan 0.000 0.503 601 A N 0.905 123.893 122.820 0.280 0.000 2.252 601 A HA -0.002 4.318 4.320 0.000 0.000 0.213 601 A C 0.329 178.008 177.584 0.159 0.000 1.188 601 A CA -0.175 51.996 52.037 0.224 0.000 0.863 601 A CB 0.121 19.302 19.000 0.302 0.000 0.893 601 A HN 0.190 nan 8.150 nan 0.000 0.495 602 D N 0.703 121.217 120.400 0.189 0.000 2.400 602 D HA 0.307 4.947 4.640 0.000 0.000 0.238 602 D C 0.153 176.505 176.300 0.085 0.000 1.157 602 D CA 0.255 54.344 54.000 0.147 0.000 0.889 602 D CB 0.363 41.268 40.800 0.175 0.000 1.199 602 D HN 0.442 nan 8.370 nan 0.000 0.436 603 I N -1.096 119.515 120.570 0.068 0.000 2.603 603 I HA 0.863 5.034 4.170 0.000 0.000 0.300 603 I C 0.306 176.460 176.117 0.061 0.000 1.017 603 I CA -0.862 60.466 61.300 0.046 0.000 1.098 603 I CB 1.943 39.955 38.000 0.020 0.000 1.279 603 I HN 0.527 nan 8.210 nan 0.000 0.437 604 G N 2.898 111.726 108.800 0.046 0.000 2.906 604 G HA2 -0.076 3.884 3.960 0.000 0.000 0.686 604 G HA3 -0.076 3.884 3.960 0.000 0.000 0.686 604 G C -0.279 174.628 174.900 0.010 0.000 1.170 604 G CA -0.414 44.709 45.100 0.038 0.000 0.775 604 G HN 0.967 nan 8.290 nan 0.000 0.630 605 c N 0.361 118.961 118.600 0.001 0.000 2.519 605 c HA 0.378 4.948 4.570 0.000 0.000 0.297 605 c C 1.794 175.849 174.090 -0.058 0.000 1.414 605 c CA 1.036 57.351 56.329 -0.022 0.000 1.893 605 c CB -0.810 41.700 42.510 -0.000 0.000 2.134 605 c HN 1.003 nan 8.230 nan 0.000 0.580 606 T N 3.841 118.382 114.554 -0.022 0.000 2.871 606 T HA 0.105 4.455 4.350 0.000 0.000 0.296 606 T C -2.000 172.642 174.700 -0.096 0.000 0.998 606 T CA 0.090 62.178 62.100 -0.020 0.000 1.162 606 T CB 0.154 69.060 68.868 0.064 0.000 0.947 606 T HN 0.316 nan 8.240 nan 0.000 0.536 607 P HA 0.239 nan 4.420 nan 0.000 0.279 607 P C 0.440 177.711 177.300 -0.049 0.000 1.451 607 P CA 0.354 63.245 63.100 -0.348 0.000 0.783 607 P CB -0.372 31.073 31.700 -0.425 0.000 1.490 608 G N -2.389 106.432 108.800 0.034 0.000 2.348 608 G HA2 0.302 4.262 3.960 0.000 0.000 0.606 608 G HA3 0.302 4.262 3.960 0.000 0.000 0.606 608 G C -0.556 174.417 174.900 0.121 0.000 1.466 608 G CA -0.218 44.941 45.100 0.097 0.000 0.950 608 G HN 0.146 nan 8.290 nan 0.000 0.657 609 S N -1.644 114.118 115.700 0.104 0.000 3.697 609 S HA 0.424 4.894 4.470 0.000 0.000 0.638 609 S C 0.799 175.464 174.600 0.109 0.000 2.176 609 S CA 1.583 59.868 58.200 0.142 0.000 2.349 609 S CB -0.937 62.421 63.200 0.263 0.000 0.329 609 S HN 2.906 nan 8.310 nan 0.000 1.794 610 G N -0.174 108.663 108.800 0.060 0.000 2.660 610 G HA2 0.553 4.514 3.960 0.000 0.000 0.290 610 G HA3 0.553 4.514 3.960 0.000 0.000 0.290 610 G C -0.290 174.152 174.900 -0.764 0.000 1.432 610 G CA 0.065 45.042 45.100 -0.204 0.000 0.807 610 G HN 0.681 nan 8.290 nan 0.000 0.485 611 K N -0.316 119.434 120.400 -1.084 0.000 2.148 611 K HA 0.119 4.440 4.320 0.000 0.000 0.204 611 K C 0.898 177.085 176.600 -0.688 0.000 1.050 611 K CA 1.885 57.414 56.287 -1.264 0.000 0.942 611 K CB 0.045 32.158 32.500 -0.645 0.000 0.724 611 K HN 0.684 nan 8.250 nan 0.000 0.446 612 D N -1.843 118.216 120.400 -0.567 0.000 3.344 612 D HA -0.034 4.607 4.640 0.000 0.000 0.308 612 D C 0.994 177.040 176.300 -0.425 0.000 1.356 612 D CA -0.599 52.986 54.000 -0.693 0.000 0.998 612 D CB -0.252 40.312 40.800 -0.393 0.000 1.370 612 D HN 0.064 nan 8.370 nan 0.000 0.610 613 Y N -0.438 119.690 120.300 -0.287 0.000 2.286 613 Y HA 0.415 4.965 4.550 0.001 0.000 0.293 613 Y C 1.951 177.902 175.900 0.086 0.000 1.124 613 Y CA 1.414 59.537 58.100 0.038 0.000 1.178 613 Y CB -0.283 38.191 38.460 0.023 0.000 1.010 613 Y HN 0.346 nan 8.280 nan 0.000 0.536 614 A N 0.528 122.786 122.820 -0.937 0.000 2.343 614 A HA 0.364 4.684 4.320 0.000 0.000 0.223 614 A C 2.104 179.564 177.584 -0.208 0.000 1.214 614 A CA 0.381 52.066 52.037 -0.586 0.000 0.900 614 A CB -0.924 17.481 19.000 -0.991 0.000 0.942 614 A HN 0.563 nan 8.150 nan 0.000 0.507 615 G N -0.370 108.281 108.800 -0.248 0.000 2.598 615 G HA2 0.037 3.998 3.960 0.000 0.000 0.215 615 G HA3 0.037 3.998 3.960 0.000 0.000 0.215 615 G C 1.250 176.093 174.900 -0.096 0.000 1.131 615 G CA 1.183 46.183 45.100 -0.166 0.000 0.785 615 G HN 0.244 nan 8.290 nan 0.000 0.539 616 V N 0.151 120.020 119.914 -0.075 0.000 2.379 616 V HA -0.058 4.062 4.120 0.000 0.000 0.245 616 V C 2.392 178.427 176.094 -0.099 0.000 1.044 616 V CA 1.321 63.563 62.300 -0.097 0.000 1.036 616 V CB -0.571 31.153 31.823 -0.164 0.000 0.664 616 V HN 0.359 nan 8.190 nan 0.000 0.453 617 F N 0.528 120.450 119.950 -0.047 0.000 2.146 617 F HA -0.139 4.388 4.527 0.000 0.000 0.298 617 F C 2.693 178.501 175.800 0.014 0.000 1.096 617 F CA 1.772 59.773 58.000 0.003 0.000 1.275 617 F CB -0.609 38.394 39.000 0.005 0.000 1.008 617 F HN 0.026 nan 8.300 nan 0.000 0.480 618 S N -0.539 115.262 115.700 0.168 0.000 2.383 618 S HA -0.162 4.308 4.470 0.000 0.000 0.227 618 S C 1.294 175.934 174.600 0.066 0.000 1.026 618 S CA 1.321 59.578 58.200 0.095 0.000 0.981 618 S CB -0.325 62.903 63.200 0.046 0.000 0.818 618 S HN 0.295 nan 8.310 nan 0.000 0.472 619 D N 1.027 121.454 120.400 0.044 0.000 2.363 619 D HA 0.200 4.840 4.640 0.000 0.000 0.226 619 D C 1.257 177.581 176.300 0.040 0.000 1.020 619 D CA 0.421 54.441 54.000 0.034 0.000 0.892 619 D CB 0.019 40.834 40.800 0.025 0.000 0.900 619 D HN 0.410 nan 8.370 nan 0.000 0.531 620 A N -0.807 122.047 122.820 0.057 0.000 2.419 620 A HA 0.539 4.859 4.320 0.000 0.000 0.233 620 A C 1.380 179.025 177.584 0.101 0.000 1.217 620 A CA 0.461 52.543 52.037 0.075 0.000 0.944 620 A CB 0.411 19.444 19.000 0.056 0.000 1.025 620 A HN 0.118 nan 8.150 nan 0.000 0.524 621 G N -0.317 108.544 108.800 0.101 0.000 2.356 621 G HA2 -0.091 3.869 3.960 0.000 0.000 0.233 621 G HA3 -0.091 3.869 3.960 0.000 0.000 0.233 621 G C -0.455 174.521 174.900 0.128 0.000 1.105 621 G CA 0.183 45.342 45.100 0.097 0.000 0.861 621 G HN 0.546 nan 8.290 nan 0.000 0.493 622 L N -0.341 120.987 121.223 0.174 0.000 2.415 622 L HA 0.816 5.156 4.340 0.000 0.000 0.256 622 L C 0.004 176.997 176.870 0.206 0.000 1.010 622 L CA -0.753 54.224 54.840 0.228 0.000 0.826 622 L CB 2.705 44.996 42.059 0.386 0.000 1.405 622 L HN 0.323 nan 8.230 nan 0.000 0.410 623 T N -1.037 113.598 114.554 0.135 0.000 2.934 623 T HA 0.411 4.761 4.350 0.000 0.000 0.328 623 T C -0.773 173.901 174.700 -0.043 0.000 1.068 623 T CA -0.327 61.800 62.100 0.045 0.000 1.018 623 T CB 0.545 69.428 68.868 0.025 0.000 1.009 623 T HN 0.226 nan 8.240 nan 0.000 0.471 624 F N 3.155 122.876 119.950 -0.381 0.000 2.427 624 F HA 0.541 5.068 4.527 0.000 0.000 0.352 624 F C 0.039 175.649 175.800 -0.315 0.000 1.100 624 F CA 0.219 57.880 58.000 -0.565 0.000 1.191 624 F CB 0.893 39.106 39.000 -1.311 0.000 1.128 624 F HN 0.578 nan 8.300 nan 0.000 0.533 625 T N 4.167 118.315 114.554 -0.676 0.000 2.991 625 T HA 0.353 4.703 4.350 0.000 0.000 0.303 625 T C -0.682 173.744 174.700 -0.458 0.000 1.015 625 T CA -0.897 60.982 62.100 -0.369 0.000 1.007 625 T CB 1.225 69.984 68.868 -0.182 0.000 1.034 625 T HN 0.620 nan 8.240 nan 0.000 0.446 626 S N 1.225 116.790 115.700 -0.225 0.000 2.687 626 S HA 0.455 4.926 4.470 0.000 0.000 0.283 626 S C 1.459 176.047 174.600 -0.020 0.000 1.170 626 S CA -0.225 57.907 58.200 -0.114 0.000 1.008 626 S CB 1.297 64.516 63.200 0.032 0.000 1.026 626 S HN 0.717 nan 8.310 nan 0.000 0.541 627 S N 1.120 116.840 115.700 0.033 0.000 2.522 627 S HA 0.047 4.517 4.470 0.000 0.000 0.227 627 S C 1.173 175.812 174.600 0.066 0.000 0.986 627 S CA 0.358 58.618 58.200 0.100 0.000 0.929 627 S CB -0.585 62.766 63.200 0.250 0.000 0.769 627 S HN 0.552 nan 8.310 nan 0.000 0.529 628 S N 1.428 117.149 115.700 0.034 0.000 2.371 628 S HA 0.550 5.020 4.470 0.000 0.000 0.159 628 S C 1.260 175.870 174.600 0.017 0.000 1.281 628 S CA 0.210 58.420 58.200 0.018 0.000 2.161 628 S CB -0.616 62.584 63.200 -0.001 0.000 0.406 628 S HN 0.635 nan 8.310 nan 0.000 0.374 629 G N 0.692 109.499 108.800 0.013 0.000 4.867 629 G HA2 0.463 4.423 3.960 0.000 0.000 0.258 629 G HA3 0.463 4.423 3.960 0.000 0.000 0.258 629 G C -1.095 173.829 174.900 0.040 0.000 0.999 629 G CA -0.290 44.820 45.100 0.017 0.000 0.797 629 G HN 0.267 nan 8.290 nan 0.000 0.505 630 Q N 1.003 120.845 119.800 0.071 0.000 2.394 630 Q HA 0.488 4.828 4.340 0.000 0.000 0.261 630 Q C -0.183 175.945 176.000 0.213 0.000 1.023 630 Q CA -0.429 55.476 55.803 0.170 0.000 0.720 630 Q CB 1.703 30.521 28.738 0.134 0.000 1.241 630 Q HN 0.685 nan 8.270 nan 0.000 0.483 631 Q N -0.422 119.478 119.800 0.167 0.000 2.605 631 Q HA 0.777 5.117 4.340 0.000 0.000 0.296 631 Q C -0.625 175.370 176.000 -0.009 0.000 1.056 631 Q CA -1.161 54.682 55.803 0.066 0.000 0.778 631 Q CB 1.233 29.971 28.738 -0.000 0.000 1.497 631 Q HN 0.427 nan 8.270 nan 0.000 0.443 632 T N -1.729 112.792 114.554 -0.054 0.000 2.874 632 T HA 0.703 5.054 4.350 0.000 0.000 0.281 632 T C 0.408 175.077 174.700 -0.051 0.000 0.994 632 T CA -0.315 61.736 62.100 -0.081 0.000 1.015 632 T CB 0.993 69.833 68.868 -0.047 0.000 1.028 632 T HN 0.766 nan 8.240 nan 0.000 0.523 633 A N 0.995 123.786 122.820 -0.049 0.000 2.366 633 A HA 0.337 4.657 4.320 0.000 0.000 0.249 633 A C 0.479 178.053 177.584 -0.017 0.000 1.084 633 A CA -0.648 51.369 52.037 -0.033 0.000 0.794 633 A CB -0.034 18.948 19.000 -0.031 0.000 1.034 633 A HN 0.917 nan 8.150 nan 0.000 0.491 634 Q N 0.543 120.330 119.800 -0.022 0.000 2.296 634 Q HA 0.189 4.529 4.340 0.000 0.000 0.262 634 Q C -0.094 175.927 176.000 0.034 0.000 0.981 634 Q CA -0.199 55.597 55.803 -0.011 0.000 0.905 634 Q CB 0.396 29.093 28.738 -0.067 0.000 1.186 634 Q HN 0.639 nan 8.270 nan 0.000 0.399 635 R N 3.287 123.837 120.500 0.083 0.000 2.205 635 R HA 0.306 4.646 4.340 0.000 0.000 0.342 635 R C -0.159 176.280 176.300 0.231 0.000 1.058 635 R CA 0.287 56.456 56.100 0.115 0.000 0.904 635 R CB 0.448 30.800 30.300 0.088 0.000 1.089 635 R HN 0.751 nan 8.270 nan 0.000 0.471 636 A N 3.714 126.669 122.820 0.226 0.000 2.303 636 A HA 0.075 4.395 4.320 0.000 0.000 0.217 636 A C 0.348 178.066 177.584 0.222 0.000 1.205 636 A CA 0.036 52.309 52.037 0.393 0.000 0.875 636 A CB 0.220 19.392 19.000 0.287 0.000 0.910 636 A HN 0.649 nan 8.150 nan 0.000 0.501 637 E N -0.692 119.580 120.200 0.119 0.000 2.214 637 E HA 0.593 4.943 4.350 0.000 0.000 0.274 637 E C 0.512 177.127 176.600 0.025 0.000 0.977 637 E CA -0.372 56.065 56.400 0.062 0.000 0.827 637 E CB 1.091 30.820 29.700 0.050 0.000 1.130 637 E HN 0.180 nan 8.360 nan 0.000 0.394 638 L N 1.550 122.774 121.223 0.001 0.000 2.253 638 L HA 0.139 4.479 4.340 0.000 0.000 0.205 638 L C 1.028 177.893 176.870 -0.008 0.000 1.078 638 L CA 0.334 55.162 54.840 -0.020 0.000 0.805 638 L CB -0.073 41.964 42.059 -0.037 0.000 0.963 638 L HN 0.469 nan 8.230 nan 0.000 0.459 639 Q N -1.620 118.180 119.800 -0.000 0.000 2.514 639 Q HA 0.352 4.693 4.340 0.000 0.000 0.169 639 Q C -0.618 175.389 176.000 0.012 0.000 1.027 639 Q CA -0.201 55.604 55.803 0.004 0.000 0.988 639 Q CB 1.199 29.938 28.738 0.001 0.000 2.123 639 Q HN 0.123 nan 8.270 nan 0.000 0.480 640 c N 0.190 118.798 118.600 0.012 0.000 2.822 640 c HA 0.670 5.240 4.570 0.000 0.000 0.341 640 c C -2.055 172.044 174.090 0.015 0.000 1.301 640 c CA -1.162 55.176 56.329 0.015 0.000 1.706 640 c CB 0.711 43.228 42.510 0.012 0.000 2.178 640 c HN 0.701 nan 8.230 nan 0.000 0.481 641 P HA 0.102 nan 4.420 nan 0.000 0.266 641 P C -0.800 176.509 177.300 0.015 0.000 1.195 641 P CA 0.262 63.373 63.100 0.018 0.000 0.768 641 P CB 0.242 31.956 31.700 0.023 0.000 0.838 642 Q N 3.062 122.871 119.800 0.014 0.000 2.247 642 Q HA -0.030 4.311 4.340 0.000 0.000 0.288 642 Q C -1.117 174.892 176.000 0.015 0.000 1.079 642 Q CA -0.646 55.164 55.803 0.013 0.000 0.932 642 Q CB 0.222 28.968 28.738 0.012 0.000 1.133 642 Q HN 0.426 nan 8.270 nan 0.000 0.377 643 P HA 0.047 nan 4.420 nan 0.000 0.216 643 P C -0.606 176.707 177.300 0.022 0.000 1.151 643 P CA 0.515 63.625 63.100 0.017 0.000 0.863 643 P CB 0.166 31.875 31.700 0.014 0.000 0.790 644 A N -0.148 122.685 122.820 0.021 0.000 1.378 644 A HA 0.200 4.520 4.320 0.000 0.000 0.196 644 A C 0.361 177.961 177.584 0.027 0.000 1.174 644 A CA 0.534 52.584 52.037 0.022 0.000 0.787 644 A CB -1.536 17.474 19.000 0.017 0.000 1.011 644 A HN 0.684 nan 8.150 nan 0.000 0.146 645 A N 0.000 122.838 122.820 0.030 0.000 2.254 645 A HA 0.000 4.320 4.320 0.000 0.000 0.244 645 A CA 0.000 52.056 52.037 0.032 0.000 0.836 645 A CB 0.000 19.024 19.000 0.041 0.000 0.831 645 A HN 0.000 nan 8.150 nan 0.000 0.486