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 2c3d_1_A DATA FIRST_RESID 2 DATA SEQUENCE KVWNARNDHL TINQWATRID EILEAPDGGE VIYNVDENDP REYDAIFIGG DATA SEQUENCE GAAGRFGSAY LRAMGGRQLI VDRWPFLGGS cPHNAcVPHH LFSDCAAELM DATA SEQUENCE LARTFSGQYW FPDMTEKVVG IKEVVDLFRA GRNGPHGIMN FQSKEQLNLE DATA SEQUENCE YILNCPAKVI DNHTVEAAGK VFKAKNLILA VGAGPGTLDV PGVNAKGVFD DATA SEQUENCE HATLVEELDY EPGSTVVVVG GSKTAVEYGC FFNATGRRTV MLVRTEPLKL DATA SEQUENCE IKDNETRAYV LDRMKEQGME IISGSNVTRI EEDANGRVQA VVAMTPNGEM DATA SEQUENCE RIETDFVFLG LGEQPRSAEL AKILGLDLGP KGEVLVNEYL QTSVPNVYAV DATA SEQUENCE GDLIGGPMEM FKARKSGCYA ARNVMGEKIS YTPKNYPDFL HTHYEVSFLG DATA SEQUENCE MGEEEARAAG HEIVTIKMPP DTENGLNVAL PASDRTMLYA FGKGTAHMSG DATA SEQUENCE FQKIVIDAKT RKVLGAHHVG YGAKDAFQYL NVLIKQGLTV DELGDMDELF DATA SEQUENCE LNPTHFIQLS RLRAGSKNLV SL 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.665 176.600 0.108 0.000 0.988 2 K CA 0.000 56.332 56.287 0.076 0.000 0.838 2 K CB 0.000 32.534 32.500 0.056 0.000 1.064 3 V N 2.571 122.549 119.914 0.106 0.000 2.376 3 V HA 0.429 4.519 4.120 -0.049 0.000 0.287 3 V C -1.545 174.673 176.094 0.207 0.000 1.015 3 V CA -0.476 61.898 62.300 0.123 0.000 0.834 3 V CB 0.950 32.778 31.823 0.008 0.000 1.001 3 V HN 0.354 nan 8.190 nan 0.000 0.428 4 W N 6.472 127.818 121.300 0.076 0.000 2.308 4 W HA 0.411 5.033 4.660 -0.062 0.000 0.311 4 W C 0.203 176.804 176.519 0.137 0.000 1.088 4 W CA -1.213 56.182 57.345 0.084 0.000 1.309 4 W CB 0.694 30.207 29.460 0.088 0.000 1.229 4 W HN 0.560 nan 8.180 nan 0.000 0.427 5 N N 4.873 123.619 118.700 0.078 0.000 2.508 5 N HA 0.143 4.853 4.740 -0.049 0.000 0.253 5 N C 0.497 175.796 175.510 -0.352 0.000 1.145 5 N CA 0.486 53.512 53.050 -0.040 0.000 0.973 5 N CB 1.084 39.618 38.487 0.079 0.000 1.305 5 N HN 0.610 nan 8.380 nan 0.000 0.506 6 A N 3.573 125.925 122.820 -0.780 0.000 2.251 6 A HA 0.008 4.299 4.320 -0.049 0.000 0.209 6 A C 2.054 179.406 177.584 -0.388 0.000 1.187 6 A CA 0.003 51.529 52.037 -0.852 0.000 0.823 6 A CB -0.041 18.078 19.000 -1.469 0.000 0.846 6 A HN 0.592 nan 8.150 nan 0.000 0.486 7 R N 1.557 121.886 120.500 -0.284 0.000 2.133 7 R HA -0.193 4.117 4.340 -0.049 0.000 0.245 7 R C 1.086 177.247 176.300 -0.232 0.000 1.137 7 R CA 2.579 58.541 56.100 -0.230 0.000 0.947 7 R CB -0.946 29.270 30.300 -0.140 0.000 0.865 7 R HN 0.687 nan 8.270 nan 0.000 0.437 8 N N 0.077 118.674 118.700 -0.171 0.000 2.383 8 N HA 0.004 4.714 4.740 -0.049 0.000 0.192 8 N C -0.774 174.570 175.510 -0.277 0.000 1.141 8 N CA -0.204 52.747 53.050 -0.165 0.000 0.851 8 N CB 0.285 38.755 38.487 -0.029 0.000 0.976 8 N HN 0.252 nan 8.380 nan 0.000 0.465 9 D N 0.349 120.569 120.400 -0.300 0.000 2.225 9 D HA 0.158 4.768 4.640 -0.049 0.000 0.249 9 D C -0.218 175.816 176.300 -0.445 0.000 1.052 9 D CA 0.285 54.164 54.000 -0.202 0.000 0.909 9 D CB 0.988 41.815 40.800 0.045 0.000 1.186 9 D HN 0.185 nan 8.370 nan 0.000 0.431 10 H N 1.840 120.945 119.070 0.057 0.000 2.716 10 H HA 0.272 4.800 4.556 -0.045 0.000 0.260 10 H C -0.132 175.240 175.328 0.075 0.000 1.280 10 H CA -0.292 55.806 56.048 0.083 0.000 1.506 10 H CB 0.705 30.513 29.762 0.077 0.000 1.514 10 H HN 0.142 nan 8.280 nan 0.000 0.502 11 L N 2.104 123.367 121.223 0.066 0.000 2.399 11 L HA 0.248 4.559 4.340 -0.049 0.000 0.266 11 L C 1.387 178.416 176.870 0.266 0.000 1.114 11 L CA -0.605 54.191 54.840 -0.072 0.000 0.804 11 L CB 1.102 42.727 42.059 -0.723 0.000 1.146 11 L HN 0.478 nan 8.230 nan 0.000 0.451 12 T N -2.137 112.531 114.554 0.191 0.000 2.770 12 T HA 0.307 4.627 4.350 -0.049 0.000 0.281 12 T C 1.333 176.178 174.700 0.240 0.000 0.981 12 T CA -0.596 61.625 62.100 0.201 0.000 0.955 12 T CB 1.017 69.915 68.868 0.050 0.000 1.060 12 T HN 0.432 nan 8.240 nan 0.000 0.531 13 I N 0.970 121.502 120.570 -0.064 0.000 2.226 13 I HA -0.190 3.951 4.170 -0.049 0.000 0.245 13 I C 2.625 178.814 176.117 0.120 0.000 1.100 13 I CA 1.623 62.925 61.300 0.003 0.000 1.374 13 I CB -0.551 37.303 38.000 -0.244 0.000 1.057 13 I HN 0.718 nan 8.210 nan 0.000 0.413 14 N N -0.046 118.679 118.700 0.041 0.000 2.331 14 N HA -0.162 4.548 4.740 -0.049 0.000 0.180 14 N C 1.795 177.352 175.510 0.077 0.000 1.019 14 N CA 0.631 53.708 53.050 0.046 0.000 0.881 14 N CB 0.029 38.517 38.487 0.002 0.000 0.972 14 N HN 0.461 nan 8.380 nan 0.000 0.435 15 Q N -0.317 119.529 119.800 0.077 0.000 2.123 15 Q HA -0.103 4.207 4.340 -0.049 0.000 0.199 15 Q C 1.438 177.487 176.000 0.081 0.000 0.966 15 Q CA 1.007 56.828 55.803 0.029 0.000 0.845 15 Q CB -0.067 28.649 28.738 -0.037 0.000 0.907 15 Q HN 0.499 nan 8.270 nan 0.000 0.439 16 W N 0.763 122.145 121.300 0.136 0.000 2.358 16 W HA -0.173 4.452 4.660 -0.058 0.000 0.303 16 W C 2.524 179.123 176.519 0.133 0.000 1.208 16 W CA 0.957 58.409 57.345 0.178 0.000 1.274 16 W CB -0.081 29.509 29.460 0.218 0.000 1.138 16 W HN 0.167 nan 8.180 nan 0.000 0.515 17 A N -0.194 122.833 122.820 0.345 0.000 1.883 17 A HA -0.247 4.044 4.320 -0.049 0.000 0.217 17 A C 1.809 179.490 177.584 0.162 0.000 1.186 17 A CA 2.608 54.767 52.037 0.204 0.000 0.624 17 A CB -1.360 17.700 19.000 0.101 0.000 0.822 17 A HN 0.250 nan 8.150 nan 0.000 0.444 18 T N -0.765 113.861 114.554 0.120 0.000 2.708 18 T HA -0.146 4.175 4.350 -0.049 0.000 0.266 18 T C 2.116 176.867 174.700 0.085 0.000 1.037 18 T CA 1.732 63.876 62.100 0.072 0.000 1.146 18 T CB -0.247 68.639 68.868 0.030 0.000 0.865 18 T HN 0.500 nan 8.240 nan 0.000 0.435 19 R N 1.241 121.802 120.500 0.102 0.000 2.091 19 R HA 0.052 4.362 4.340 -0.049 0.000 0.238 19 R C 2.175 178.589 176.300 0.190 0.000 1.136 19 R CA 1.385 57.537 56.100 0.088 0.000 0.959 19 R CB -0.960 29.366 30.300 0.045 0.000 0.856 19 R HN 0.466 nan 8.270 nan 0.000 0.437 20 I N 0.236 120.982 120.570 0.294 0.000 2.226 20 I HA -0.233 3.908 4.170 -0.049 0.000 0.245 20 I C 1.932 178.175 176.117 0.211 0.000 1.100 20 I CA 1.782 63.260 61.300 0.296 0.000 1.374 20 I CB -0.473 37.721 38.000 0.325 0.000 1.057 20 I HN 0.272 nan 8.210 nan 0.000 0.413 21 D N 1.032 121.531 120.400 0.165 0.000 2.123 21 D HA -0.217 4.393 4.640 -0.049 0.000 0.196 21 D C 2.053 178.417 176.300 0.106 0.000 0.992 21 D CA 1.517 55.590 54.000 0.122 0.000 0.833 21 D CB 0.057 40.903 40.800 0.077 0.000 0.954 21 D HN 0.337 nan 8.370 nan 0.000 0.455 22 E N -0.231 120.021 120.200 0.088 0.000 2.077 22 E HA -0.141 4.179 4.350 -0.049 0.000 0.193 22 E C 2.397 179.044 176.600 0.079 0.000 0.989 22 E CA 0.745 57.182 56.400 0.062 0.000 0.800 22 E CB -0.069 29.646 29.700 0.024 0.000 0.746 22 E HN 0.447 nan 8.360 nan 0.000 0.452 23 I N 0.975 121.611 120.570 0.110 0.000 2.315 23 I HA -0.247 3.894 4.170 -0.049 0.000 0.248 23 I C 2.310 178.510 176.117 0.138 0.000 1.117 23 I CA 0.872 62.248 61.300 0.127 0.000 1.404 23 I CB -0.142 37.963 38.000 0.175 0.000 1.071 23 I HN 0.116 nan 8.210 nan 0.000 0.419 24 L N 0.202 121.519 121.223 0.157 0.000 2.141 24 L HA -0.156 4.154 4.340 -0.049 0.000 0.209 24 L C 2.295 179.255 176.870 0.150 0.000 1.094 24 L CA 1.083 56.029 54.840 0.176 0.000 0.763 24 L CB -0.360 41.822 42.059 0.205 0.000 0.908 24 L HN 0.243 nan 8.230 nan 0.000 0.437 25 E N 0.299 120.570 120.200 0.118 0.000 2.442 25 E HA 0.118 4.439 4.350 -0.049 0.000 0.195 25 E C 0.847 177.497 176.600 0.083 0.000 1.030 25 E CA 0.196 56.654 56.400 0.097 0.000 0.869 25 E CB 0.093 29.839 29.700 0.077 0.000 0.857 25 E HN 0.282 nan 8.360 nan 0.000 0.505 26 A N 4.084 126.953 122.820 0.082 0.000 2.537 26 A HA 0.053 4.344 4.320 -0.049 0.000 0.260 26 A C -0.976 176.650 177.584 0.070 0.000 1.082 26 A CA -0.746 51.332 52.037 0.068 0.000 0.765 26 A CB 0.094 19.135 19.000 0.069 0.000 1.019 26 A HN -0.043 nan 8.150 nan 0.000 0.507 27 P HA -0.194 nan 4.420 nan 0.000 0.216 27 P C 0.692 178.024 177.300 0.054 0.000 1.150 27 P CA 1.552 64.685 63.100 0.056 0.000 0.837 27 P CB 0.032 31.760 31.700 0.046 0.000 0.786 28 D N -1.211 119.218 120.400 0.049 0.000 2.363 28 D HA -0.007 4.603 4.640 -0.049 0.000 0.220 28 D C 1.500 177.833 176.300 0.055 0.000 0.994 28 D CA 1.135 55.163 54.000 0.047 0.000 0.890 28 D CB -0.440 40.384 40.800 0.040 0.000 0.906 28 D HN 0.324 nan 8.370 nan 0.000 0.530 29 G N -0.296 108.543 108.800 0.066 0.000 2.259 29 G HA2 -0.008 3.922 3.960 -0.049 0.000 0.217 29 G HA3 -0.008 3.922 3.960 -0.049 0.000 0.217 29 G C 0.787 175.740 174.900 0.088 0.000 1.001 29 G CA 0.276 45.422 45.100 0.076 0.000 0.627 29 G HN 1.334 nan 8.290 nan 0.000 0.501 30 G N -0.056 108.793 108.800 0.082 0.000 2.699 30 G HA2 0.404 4.335 3.960 -0.049 0.000 0.686 30 G HA3 0.404 4.335 3.960 -0.049 0.000 0.686 30 G C -0.188 174.776 174.900 0.108 0.000 1.301 30 G CA 0.661 45.817 45.100 0.094 0.000 0.816 30 G HN 1.693 nan 8.290 nan 0.000 0.595 31 E N -0.336 119.942 120.200 0.130 0.000 2.345 31 E HA 0.515 4.836 4.350 -0.049 0.000 0.259 31 E C 0.198 176.934 176.600 0.226 0.000 1.117 31 E CA -0.651 55.852 56.400 0.171 0.000 0.913 31 E CB 1.440 31.258 29.700 0.195 0.000 1.057 31 E HN 0.719 nan 8.360 nan 0.000 0.432 32 V N 2.267 122.315 119.914 0.223 0.000 2.530 32 V HA 0.135 4.225 4.120 -0.049 0.000 0.282 32 V C 0.535 176.812 176.094 0.305 0.000 1.048 32 V CA -0.378 62.056 62.300 0.223 0.000 0.997 32 V CB 0.533 32.463 31.823 0.177 0.000 0.987 32 V HN 0.517 nan 8.190 nan 0.000 0.477 33 I N 5.659 126.398 120.570 0.282 0.000 2.281 33 I HA 0.215 4.356 4.170 -0.049 0.000 0.293 33 I C -0.714 175.494 176.117 0.152 0.000 1.085 33 I CA -0.259 61.183 61.300 0.237 0.000 1.257 33 I CB 0.095 38.277 38.000 0.304 0.000 1.430 33 I HN 0.579 nan 8.210 nan 0.000 0.489 34 Y N 6.952 127.199 120.300 -0.088 0.000 2.454 34 Y HA 0.301 4.885 4.550 0.056 0.000 0.345 34 Y C 0.061 175.834 175.900 -0.212 0.000 0.970 34 Y CA -0.575 57.470 58.100 -0.092 0.000 1.204 34 Y CB 0.684 39.123 38.460 -0.035 0.000 1.122 34 Y HN 0.537 nan 8.280 nan 0.000 0.514 35 N N 5.359 123.765 118.700 -0.490 0.000 2.841 35 N HA 0.344 5.054 4.740 -0.049 0.000 0.257 35 N C -2.257 172.888 175.510 -0.610 0.000 1.396 35 N CA -0.218 52.487 53.050 -0.574 0.000 0.823 35 N CB 0.472 38.449 38.487 -0.850 0.000 1.162 35 N HN 0.276 nan 8.380 nan 0.000 0.503 36 V N 0.987 120.536 119.914 -0.608 0.000 2.680 36 V HA 0.347 4.438 4.120 -0.049 0.000 0.309 36 V C -0.435 175.560 176.094 -0.165 0.000 1.052 36 V CA -0.955 61.101 62.300 -0.407 0.000 0.908 36 V CB 1.863 33.376 31.823 -0.516 0.000 1.001 36 V HN 0.391 nan 8.190 nan 0.000 0.431 37 D N 2.677 123.029 120.400 -0.079 0.000 2.441 37 D HA 0.187 4.797 4.640 -0.049 0.000 0.221 37 D C 0.993 177.301 176.300 0.014 0.000 1.156 37 D CA -0.095 53.883 54.000 -0.037 0.000 0.896 37 D CB 0.890 41.660 40.800 -0.049 0.000 1.028 37 D HN 0.630 nan 8.370 nan 0.000 0.509 38 E N 2.131 122.359 120.200 0.047 0.000 2.511 38 E HA -0.045 4.276 4.350 -0.049 0.000 0.196 38 E C 0.670 177.289 176.600 0.032 0.000 1.066 38 E CA 0.125 56.568 56.400 0.072 0.000 0.871 38 E CB 0.301 30.066 29.700 0.109 0.000 0.863 38 E HN 0.419 nan 8.360 nan 0.000 0.520 39 N N 1.027 119.733 118.700 0.011 0.000 2.392 39 N HA -0.062 4.648 4.740 -0.049 0.000 0.177 39 N C 0.269 175.768 175.510 -0.018 0.000 1.066 39 N CA 0.335 53.385 53.050 -0.002 0.000 0.895 39 N CB 0.223 38.708 38.487 -0.002 0.000 0.988 39 N HN 0.091 nan 8.380 nan 0.000 0.457 40 D N 2.493 122.874 120.400 -0.032 0.000 2.358 40 D HA 0.059 4.669 4.640 -0.049 0.000 0.258 40 D C -1.286 174.971 176.300 -0.071 0.000 1.223 40 D CA -1.507 52.459 54.000 -0.057 0.000 0.886 40 D CB 1.507 42.258 40.800 -0.082 0.000 1.120 40 D HN 0.126 nan 8.370 nan 0.000 0.482 41 P HA 0.004 nan 4.420 nan 0.000 0.231 41 P C 0.160 177.411 177.300 -0.082 0.000 1.168 41 P CA 0.063 63.128 63.100 -0.059 0.000 0.779 41 P CB 0.541 32.218 31.700 -0.038 0.000 0.844 42 R N 1.287 121.724 120.500 -0.106 0.000 2.734 42 R HA 0.138 4.449 4.340 -0.049 0.000 0.266 42 R C 0.771 176.959 176.300 -0.186 0.000 1.044 42 R CA -0.005 56.024 56.100 -0.119 0.000 1.128 42 R CB 0.360 30.593 30.300 -0.112 0.000 1.010 42 R HN 0.229 nan 8.270 nan 0.000 0.461 43 E N 1.647 121.775 120.200 -0.121 0.000 2.349 43 E HA 0.031 4.351 4.350 -0.049 0.000 0.265 43 E C -1.007 175.527 176.600 -0.111 0.000 1.064 43 E CA -0.556 55.785 56.400 -0.099 0.000 0.886 43 E CB 0.581 30.283 29.700 0.004 0.000 1.036 43 E HN 0.320 nan 8.360 nan 0.000 0.413 44 Y N 2.923 123.266 120.300 0.070 0.000 2.465 44 Y HA -0.021 4.498 4.550 -0.052 0.000 0.331 44 Y C 1.097 177.028 175.900 0.051 0.000 1.102 44 Y CA 0.144 58.281 58.100 0.062 0.000 1.358 44 Y CB 0.788 39.292 38.460 0.073 0.000 1.213 44 Y HN 0.629 nan 8.280 nan 0.000 0.525 45 D N 2.289 122.803 120.400 0.190 0.000 2.149 45 D HA 0.058 4.668 4.640 -0.049 0.000 0.201 45 D C 0.242 176.589 176.300 0.079 0.000 0.972 45 D CA 1.116 55.183 54.000 0.112 0.000 0.835 45 D CB 0.402 41.250 40.800 0.080 0.000 0.966 45 D HN 0.521 nan 8.370 nan 0.000 0.476 46 A N 0.168 123.043 122.820 0.091 0.000 2.589 46 A HA 0.587 4.878 4.320 -0.049 0.000 0.296 46 A C -1.307 176.245 177.584 -0.054 0.000 1.062 46 A CA -0.578 51.421 52.037 -0.064 0.000 0.686 46 A CB 1.418 20.248 19.000 -0.282 0.000 1.282 46 A HN 0.008 nan 8.150 nan 0.000 0.404 47 I N 1.644 122.120 120.570 -0.157 0.000 2.389 47 I HA 0.392 4.532 4.170 -0.049 0.000 0.288 47 I C -1.260 174.764 176.117 -0.154 0.000 0.999 47 I CA -0.348 60.870 61.300 -0.136 0.000 1.129 47 I CB 1.420 39.322 38.000 -0.163 0.000 1.288 47 I HN 0.552 nan 8.210 nan 0.000 0.444 48 F N 6.342 126.228 119.950 -0.107 0.000 2.411 48 F HA 0.353 4.848 4.527 -0.053 0.000 0.355 48 F C 0.413 176.168 175.800 -0.074 0.000 1.117 48 F CA -0.609 57.351 58.000 -0.066 0.000 1.139 48 F CB 0.860 39.831 39.000 -0.049 0.000 1.120 48 F HN 0.177 nan 8.300 nan 0.000 0.493 49 I N 3.985 124.603 120.570 0.080 0.000 2.269 49 I HA 0.445 4.585 4.170 -0.049 0.000 0.293 49 I C 0.524 176.672 176.117 0.051 0.000 1.106 49 I CA -0.235 61.083 61.300 0.030 0.000 1.248 49 I CB -0.294 37.704 38.000 -0.002 0.000 1.444 49 I HN 0.694 nan 8.210 nan 0.000 0.497 50 G N 3.990 112.810 108.800 0.035 0.000 3.055 50 G HA2 0.073 4.004 3.960 -0.049 0.000 0.685 50 G HA3 0.073 4.004 3.960 -0.049 0.000 0.685 50 G C -0.024 174.900 174.900 0.041 0.000 1.212 50 G CA -0.523 44.592 45.100 0.025 0.000 0.822 50 G HN 0.895 nan 8.290 nan 0.000 0.610 51 G N 0.533 109.333 108.800 -0.000 0.000 4.222 51 G HA2 0.690 4.620 3.960 -0.049 0.000 0.301 51 G HA3 0.690 4.620 3.960 -0.049 0.000 0.301 51 G C 0.861 175.769 174.900 0.013 0.000 1.171 51 G CA 0.956 46.034 45.100 -0.036 0.000 0.937 51 G HN 1.311 nan 8.290 nan 0.000 0.557 52 G N 0.079 108.926 108.800 0.078 0.000 2.546 52 G HA2 0.447 4.377 3.960 -0.049 0.000 0.239 52 G HA3 0.447 4.377 3.960 -0.049 0.000 0.239 52 G C 1.558 176.535 174.900 0.128 0.000 1.476 52 G CA 0.465 45.644 45.100 0.132 0.000 1.064 52 G HN 0.428 nan 8.290 nan 0.000 0.561 53 A N -0.504 122.396 122.820 0.134 0.000 1.873 53 A HA 0.038 4.328 4.320 -0.049 0.000 0.218 53 A C 2.769 180.433 177.584 0.133 0.000 1.193 53 A CA 3.235 55.348 52.037 0.126 0.000 0.629 53 A CB -1.163 17.852 19.000 0.024 0.000 0.826 53 A HN 1.290 nan 8.150 nan 0.000 0.447 54 A N -0.904 121.970 122.820 0.089 0.000 1.873 54 A HA 0.165 4.456 4.320 -0.049 0.000 0.215 54 A C 2.459 180.133 177.584 0.149 0.000 1.186 54 A CA 1.970 54.072 52.037 0.108 0.000 0.616 54 A CB -1.415 17.642 19.000 0.096 0.000 0.823 54 A HN 0.799 nan 8.150 nan 0.000 0.442 55 G N -0.970 107.903 108.800 0.121 0.000 2.408 55 G HA2 -0.204 3.726 3.960 -0.049 0.000 0.217 55 G HA3 -0.204 3.726 3.960 -0.049 0.000 0.217 55 G C 1.767 176.510 174.900 -0.262 0.000 1.150 55 G CA 0.960 46.077 45.100 0.029 0.000 0.776 55 G HN 0.521 nan 8.290 nan 0.000 0.542 56 R N -0.900 119.547 120.500 -0.087 0.000 2.073 56 R HA 0.073 4.384 4.340 -0.049 0.000 0.229 56 R C 2.260 178.476 176.300 -0.140 0.000 1.120 56 R CA 0.912 56.931 56.100 -0.135 0.000 0.967 56 R CB -0.318 29.962 30.300 -0.033 0.000 0.862 56 R HN 0.386 nan 8.270 nan 0.000 0.436 57 F N -0.309 119.578 119.950 -0.104 0.000 2.146 57 F HA -0.002 4.495 4.527 -0.050 0.000 0.298 57 F C 2.393 178.171 175.800 -0.037 0.000 1.096 57 F CA 1.428 59.404 58.000 -0.040 0.000 1.275 57 F CB -0.475 38.530 39.000 0.008 0.000 1.008 57 F HN 0.202 nan 8.300 nan 0.000 0.480 58 G N -1.119 107.738 108.800 0.095 0.000 2.418 58 G HA2 -0.243 3.688 3.960 -0.049 0.000 0.217 58 G HA3 -0.243 3.688 3.960 -0.049 0.000 0.217 58 G C 1.861 176.703 174.900 -0.097 0.000 1.158 58 G CA 1.142 46.313 45.100 0.119 0.000 0.771 58 G HN 0.316 nan 8.290 nan 0.000 0.545 59 S N 0.876 116.173 115.700 -0.671 0.000 2.368 59 S HA 0.015 4.455 4.470 -0.049 0.000 0.225 59 S C 2.814 177.294 174.600 -0.201 0.000 1.030 59 S CA 1.171 59.019 58.200 -0.586 0.000 0.999 59 S CB -0.385 62.385 63.200 -0.716 0.000 0.844 59 S HN 0.592 nan 8.310 nan 0.000 0.459 60 A N 0.304 123.006 122.820 -0.196 0.000 1.883 60 A HA -0.163 4.127 4.320 -0.049 0.000 0.217 60 A C 1.983 179.520 177.584 -0.079 0.000 1.186 60 A CA 1.695 53.633 52.037 -0.165 0.000 0.624 60 A CB -0.975 17.856 19.000 -0.282 0.000 0.822 60 A HN 0.571 nan 8.150 nan 0.000 0.444 61 Y N -0.371 119.877 120.300 -0.088 0.000 2.200 61 Y HA -0.066 4.454 4.550 -0.050 0.000 0.290 61 Y C 2.129 178.018 175.900 -0.018 0.000 1.137 61 Y CA 1.592 59.670 58.100 -0.036 0.000 1.163 61 Y CB -0.178 38.284 38.460 0.003 0.000 0.988 61 Y HN 0.297 nan 8.280 nan 0.000 0.518 62 L N -0.290 121.055 121.223 0.205 0.000 2.046 62 L HA -0.212 4.099 4.340 -0.049 0.000 0.208 62 L C 2.600 179.507 176.870 0.062 0.000 1.077 62 L CA 1.660 56.598 54.840 0.164 0.000 0.747 62 L CB -0.278 41.918 42.059 0.228 0.000 0.896 62 L HN 0.087 nan 8.230 nan 0.000 0.432 63 R N 0.310 120.819 120.500 0.015 0.000 2.081 63 R HA -0.107 4.203 4.340 -0.049 0.000 0.235 63 R C 2.143 178.405 176.300 -0.064 0.000 1.131 63 R CA 1.675 57.762 56.100 -0.023 0.000 0.960 63 R CB -0.737 29.533 30.300 -0.049 0.000 0.856 63 R HN 0.476 nan 8.270 nan 0.000 0.436 64 A N 0.200 122.950 122.820 -0.117 0.000 1.978 64 A HA -0.144 4.147 4.320 -0.049 0.000 0.220 64 A C 2.079 179.568 177.584 -0.158 0.000 1.170 64 A CA 1.740 53.671 52.037 -0.178 0.000 0.636 64 A CB -0.473 18.339 19.000 -0.314 0.000 0.810 64 A HN 0.424 nan 8.150 nan 0.000 0.448 65 M N -1.344 118.182 119.600 -0.122 0.000 2.659 65 M HA 0.133 4.583 4.480 -0.049 0.000 0.243 65 M C 1.314 177.596 176.300 -0.030 0.000 1.111 65 M CA 0.849 56.111 55.300 -0.063 0.000 1.070 65 M CB 0.121 32.729 32.600 0.014 0.000 1.525 65 M HN 0.651 nan 8.290 nan 0.000 0.517 66 G N 0.183 108.963 108.800 -0.033 0.000 2.141 66 G HA2 -0.159 3.771 3.960 -0.049 0.000 0.231 66 G HA3 -0.159 3.771 3.960 -0.049 0.000 0.231 66 G C 0.183 175.080 174.900 -0.004 0.000 0.984 66 G CA -0.272 44.815 45.100 -0.022 0.000 0.660 66 G HN 0.618 nan 8.290 nan 0.000 0.525 67 G N -0.941 107.868 108.800 0.014 0.000 2.511 67 G HA2 0.651 4.581 3.960 -0.049 0.000 0.316 67 G HA3 0.651 4.581 3.960 -0.049 0.000 0.316 67 G C -0.210 174.717 174.900 0.045 0.000 1.210 67 G CA -0.513 44.606 45.100 0.033 0.000 0.969 67 G HN 0.452 nan 8.290 nan 0.000 0.492 68 R N -0.037 120.502 120.500 0.065 0.000 2.393 68 R HA 0.480 4.790 4.340 -0.049 0.000 0.310 68 R C -0.645 175.805 176.300 0.251 0.000 0.968 68 R CA -0.524 55.635 56.100 0.098 0.000 0.867 68 R CB 1.247 31.538 30.300 -0.015 0.000 1.124 68 R HN 0.678 nan 8.270 nan 0.000 0.450 69 Q N 3.127 123.100 119.800 0.288 0.000 2.528 69 Q HA 0.618 4.928 4.340 -0.049 0.000 0.289 69 Q C -1.826 174.288 176.000 0.190 0.000 1.091 69 Q CA -1.002 54.987 55.803 0.311 0.000 0.797 69 Q CB 1.782 30.695 28.738 0.292 0.000 1.466 69 Q HN 0.410 nan 8.270 nan 0.000 0.436 70 L N 0.563 121.778 121.223 -0.013 0.000 2.505 70 L HA 0.660 4.970 4.340 -0.049 0.000 0.266 70 L C -1.931 174.873 176.870 -0.109 0.000 0.954 70 L CA -0.517 54.163 54.840 -0.266 0.000 0.852 70 L CB 1.972 43.500 42.059 -0.885 0.000 1.282 70 L HN 0.873 nan 8.230 nan 0.000 0.403 71 I N 4.957 125.473 120.570 -0.091 0.000 2.460 71 I HA 0.620 4.761 4.170 -0.049 0.000 0.298 71 I C -0.823 175.244 176.117 -0.084 0.000 0.989 71 I CA -0.972 60.304 61.300 -0.039 0.000 1.173 71 I CB 2.013 39.977 38.000 -0.060 0.000 1.338 71 I HN 0.291 nan 8.210 nan 0.000 0.456 72 V N 4.882 124.755 119.914 -0.069 0.000 2.525 72 V HA 0.433 4.523 4.120 -0.049 0.000 0.299 72 V C -0.820 175.234 176.094 -0.066 0.000 1.034 72 V CA -0.524 61.727 62.300 -0.081 0.000 0.863 72 V CB 1.901 33.668 31.823 -0.094 0.000 0.999 72 V HN 0.676 nan 8.190 nan 0.000 0.423 73 D N 3.201 123.552 120.400 -0.081 0.000 2.879 73 D HA 0.311 4.921 4.640 -0.049 0.000 0.236 73 D C 0.871 177.098 176.300 -0.122 0.000 1.171 73 D CA -0.641 53.295 54.000 -0.107 0.000 0.868 73 D CB 2.560 43.284 40.800 -0.127 0.000 1.598 73 D HN 0.618 nan 8.370 nan 0.000 0.497 74 R N 1.591 121.985 120.500 -0.176 0.000 2.280 74 R HA 0.028 4.339 4.340 -0.049 0.000 0.207 74 R C 0.381 176.565 176.300 -0.194 0.000 1.043 74 R CA 0.125 56.108 56.100 -0.195 0.000 1.006 74 R CB 0.204 30.343 30.300 -0.268 0.000 0.885 74 R HN 0.251 nan 8.270 nan 0.000 0.467 75 W N 2.069 123.152 121.300 -0.362 0.000 2.375 75 W HA 0.283 4.911 4.660 -0.052 0.000 0.336 75 W C -1.806 174.356 176.519 -0.595 0.000 1.160 75 W CA -2.833 54.135 57.345 -0.628 0.000 1.266 75 W CB 1.103 29.823 29.460 -1.234 0.000 1.195 75 W HN -0.126 nan 8.180 nan 0.000 0.599 76 P HA -0.027 nan 4.420 nan 0.000 0.253 76 P C -0.566 176.671 177.300 -0.106 0.000 1.281 76 P CA 0.696 63.755 63.100 -0.068 0.000 0.792 76 P CB -0.165 31.600 31.700 0.110 0.000 1.193 77 F N -2.053 117.776 119.950 -0.202 0.000 2.643 77 F HA 0.615 5.116 4.527 -0.044 0.000 0.314 77 F C -1.036 174.576 175.800 -0.314 0.000 1.096 77 F CA -2.068 55.724 58.000 -0.347 0.000 0.953 77 F CB 0.453 39.105 39.000 -0.580 0.000 1.345 77 F HN -0.395 nan 8.300 nan 0.000 0.468 78 L N 0.763 121.943 121.223 -0.073 0.000 2.358 78 L HA 0.748 5.058 4.340 -0.049 0.000 0.268 78 L C 0.936 177.886 176.870 0.132 0.000 1.032 78 L CA -0.163 54.624 54.840 -0.088 0.000 0.805 78 L CB 1.525 43.419 42.059 -0.276 0.000 1.253 78 L HN 1.162 nan 8.230 nan 0.000 0.452 79 G N -0.069 108.806 108.800 0.125 0.000 2.278 79 G HA2 0.030 3.961 3.960 -0.049 0.000 0.210 79 G HA3 0.030 3.961 3.960 -0.049 0.000 0.210 79 G C 0.586 175.630 174.900 0.241 0.000 1.000 79 G CA -0.165 45.042 45.100 0.178 0.000 0.635 79 G HN 1.433 nan 8.290 nan 0.000 0.495 80 G N -0.157 108.842 108.800 0.331 0.000 2.562 80 G HA2 0.075 4.005 3.960 -0.049 0.000 0.250 80 G HA3 0.075 4.005 3.960 -0.049 0.000 0.250 80 G C 1.486 176.665 174.900 0.465 0.000 1.269 80 G CA 2.184 47.540 45.100 0.427 0.000 0.919 80 G HN 2.003 nan 8.290 nan 0.000 0.574 81 S N -1.060 114.929 115.700 0.480 0.000 2.399 81 S HA -0.158 4.282 4.470 -0.049 0.000 0.231 81 S C 2.521 177.307 174.600 0.311 0.000 1.022 81 S CA 2.296 60.767 58.200 0.452 0.000 0.983 81 S CB -1.015 62.448 63.200 0.438 0.000 0.803 81 S HN 1.797 nan 8.310 nan 0.000 0.480 82 c N 3.595 122.336 118.600 0.236 0.000 2.336 82 c HA -0.048 4.492 4.570 -0.049 0.000 0.275 82 c C 0.130 174.312 174.090 0.155 0.000 1.175 82 c CA 1.782 58.213 56.329 0.170 0.000 1.771 82 c CB -1.350 41.236 42.510 0.127 0.000 2.030 82 c HN 0.582 nan 8.230 nan 0.000 0.442 83 P HA -0.066 nan 4.420 nan 0.000 0.227 83 P C 0.893 178.295 177.300 0.170 0.000 1.161 83 P CA 1.760 64.918 63.100 0.095 0.000 0.788 83 P CB -0.310 31.411 31.700 0.034 0.000 0.822 84 H N 1.550 120.672 119.070 0.086 0.000 2.431 84 H HA 0.015 4.543 4.556 -0.047 0.000 0.295 84 H C 0.955 176.479 175.328 0.327 0.000 1.038 84 H CA 1.937 58.026 56.048 0.068 0.000 1.360 84 H CB 0.128 29.732 29.762 -0.264 0.000 1.433 84 H HN 0.183 nan 8.280 nan 0.000 0.536 85 N N -2.036 116.857 118.700 0.323 0.000 2.036 85 N HA 0.235 4.945 4.740 -0.049 0.000 0.224 85 N C -0.114 175.597 175.510 0.336 0.000 1.381 85 N CA 0.404 53.632 53.050 0.298 0.000 0.746 85 N CB 0.211 38.916 38.487 0.362 0.000 1.213 85 N HN 0.233 nan 8.380 nan 0.000 0.524 86 A N 0.300 123.267 122.820 0.244 0.000 2.733 86 A HA 0.403 4.693 4.320 -0.049 0.000 0.210 86 A C 1.659 179.354 177.584 0.184 0.000 2.062 86 A CA 0.518 52.676 52.037 0.202 0.000 1.765 86 A CB -0.716 18.388 19.000 0.174 0.000 1.287 86 A HN 0.247 nan 8.150 nan 0.000 0.395 87 c N -0.090 118.627 118.600 0.195 0.000 2.398 87 c HA -0.064 4.477 4.570 -0.049 0.000 0.276 87 c C 2.538 176.708 174.090 0.133 0.000 1.222 87 c CA 1.029 57.513 56.329 0.259 0.000 1.746 87 c CB -1.652 40.952 42.510 0.157 0.000 2.039 87 c HN 0.400 nan 8.230 nan 0.000 0.470 88 V N 3.004 122.922 119.914 0.006 0.000 2.233 88 V HA -0.165 3.926 4.120 -0.049 0.000 0.247 88 V C 0.367 176.279 176.094 -0.304 0.000 1.050 88 V CA 2.775 65.020 62.300 -0.091 0.000 1.010 88 V CB -2.038 29.788 31.823 0.006 0.000 0.637 88 V HN 0.391 nan 8.190 nan 0.000 0.444 89 P HA -0.238 nan 4.420 nan 0.000 0.216 89 P C 1.534 178.047 177.300 -1.310 0.000 1.150 89 P CA 2.269 64.526 63.100 -1.405 0.000 0.837 89 P CB -0.263 30.311 31.700 -1.877 0.000 0.786 90 H N 0.295 118.968 119.070 -0.661 0.000 2.352 90 H HA -0.168 4.358 4.556 -0.050 0.000 0.299 90 H C 2.018 177.038 175.328 -0.513 0.000 1.097 90 H CA 1.734 57.489 56.048 -0.488 0.000 1.311 90 H CB -1.321 28.417 29.762 -0.040 0.000 1.377 90 H HN 0.244 nan 8.280 nan 0.000 0.504 91 H N -0.284 118.334 119.070 -0.753 0.000 2.428 91 H HA -0.051 4.475 4.556 -0.049 0.000 0.296 91 H C 2.499 177.524 175.328 -0.505 0.000 1.062 91 H CA 0.961 56.611 56.048 -0.664 0.000 1.350 91 H CB 0.168 29.659 29.762 -0.452 0.000 1.403 91 H HN 0.366 nan 8.280 nan 0.000 0.533 92 L N 0.376 121.318 121.223 -0.468 0.000 2.017 92 L HA -0.171 4.140 4.340 -0.049 0.000 0.208 92 L C 2.074 178.712 176.870 -0.387 0.000 1.073 92 L CA 1.242 55.836 54.840 -0.410 0.000 0.745 92 L CB -0.417 41.346 42.059 -0.493 0.000 0.894 92 L HN 0.159 nan 8.230 nan 0.000 0.432 93 F N -0.633 118.944 119.950 -0.621 0.000 2.171 93 F HA -0.229 4.268 4.527 -0.049 0.000 0.300 93 F C 2.668 178.111 175.800 -0.595 0.000 1.090 93 F CA 0.857 58.268 58.000 -0.982 0.000 1.293 93 F CB -0.323 37.842 39.000 -1.392 0.000 1.013 93 F HN 0.105 nan 8.300 nan 0.000 0.486 94 S N -0.212 115.289 115.700 -0.332 0.000 2.383 94 S HA -0.185 4.255 4.470 -0.049 0.000 0.227 94 S C 1.395 175.876 174.600 -0.197 0.000 1.026 94 S CA 1.330 59.334 58.200 -0.328 0.000 0.981 94 S CB -0.341 62.378 63.200 -0.801 0.000 0.818 94 S HN 0.297 nan 8.310 nan 0.000 0.472 95 D N 0.850 121.132 120.400 -0.197 0.000 2.104 95 D HA -0.072 4.538 4.640 -0.049 0.000 0.194 95 D C 2.029 178.325 176.300 -0.008 0.000 0.994 95 D CA 0.855 54.802 54.000 -0.088 0.000 0.830 95 D CB -0.414 40.333 40.800 -0.088 0.000 0.959 95 D HN 0.342 nan 8.370 nan 0.000 0.452 96 C N 0.601 119.913 119.300 0.020 0.000 2.429 96 C HA -0.042 4.388 4.460 -0.049 0.000 0.277 96 C C 2.850 177.951 174.990 0.185 0.000 1.262 96 C CA 0.761 59.860 59.018 0.136 0.000 1.733 96 C CB -1.094 26.799 27.740 0.254 0.000 2.010 96 C HN 0.373 nan 8.230 nan 0.000 0.483 97 A N 0.593 123.535 122.820 0.203 0.000 1.908 97 A HA 0.005 4.295 4.320 -0.049 0.000 0.218 97 A C 2.362 180.073 177.584 0.212 0.000 1.181 97 A CA 2.253 54.417 52.037 0.211 0.000 0.627 97 A CB -0.913 18.151 19.000 0.108 0.000 0.818 97 A HN 0.587 nan 8.150 nan 0.000 0.445 98 A N -0.659 122.250 122.820 0.149 0.000 1.898 98 A HA -0.114 4.177 4.320 -0.049 0.000 0.216 98 A C 1.962 179.594 177.584 0.079 0.000 1.181 98 A CA 1.596 53.717 52.037 0.140 0.000 0.620 98 A CB -0.403 18.657 19.000 0.100 0.000 0.819 98 A HN 0.450 nan 8.150 nan 0.000 0.442 99 E N 0.063 120.302 120.200 0.065 0.000 2.106 99 E HA -0.117 4.203 4.350 -0.049 0.000 0.192 99 E C 2.045 178.705 176.600 0.100 0.000 0.984 99 E CA 0.842 57.289 56.400 0.079 0.000 0.806 99 E CB -0.380 29.370 29.700 0.084 0.000 0.750 99 E HN 0.667 nan 8.360 nan 0.000 0.458 100 L N 0.295 121.578 121.223 0.100 0.000 2.093 100 L HA -0.096 4.214 4.340 -0.049 0.000 0.208 100 L C 2.707 179.595 176.870 0.030 0.000 1.085 100 L CA 0.860 55.744 54.840 0.073 0.000 0.755 100 L CB -0.310 41.793 42.059 0.074 0.000 0.904 100 L HN 0.156 nan 8.230 nan 0.000 0.435 101 M N -0.410 119.213 119.600 0.038 0.000 2.117 101 M HA -0.248 4.202 4.480 -0.049 0.000 0.262 101 M C 2.240 178.551 176.300 0.018 0.000 1.065 101 M CA 1.753 57.030 55.300 -0.038 0.000 1.114 101 M CB -0.005 32.541 32.600 -0.090 0.000 1.361 101 M HN 0.220 nan 8.290 nan 0.000 0.408 102 L N 0.873 122.144 121.223 0.079 0.000 1.994 102 L HA -0.089 4.221 4.340 -0.049 0.000 0.208 102 L C 2.520 179.269 176.870 -0.201 0.000 1.071 102 L CA 2.347 57.209 54.840 0.037 0.000 0.745 102 L CB -1.066 40.999 42.059 0.010 0.000 0.892 102 L HN 0.355 nan 8.230 nan 0.000 0.431 103 A N -0.549 122.183 122.820 -0.147 0.000 1.940 103 A HA -0.227 4.063 4.320 -0.049 0.000 0.219 103 A C 2.418 179.893 177.584 -0.183 0.000 1.176 103 A CA 1.914 53.841 52.037 -0.184 0.000 0.631 103 A CB -0.561 18.501 19.000 0.102 0.000 0.814 103 A HN 0.529 nan 8.150 nan 0.000 0.446 104 R N -1.160 119.267 120.500 -0.123 0.000 2.090 104 R HA -0.048 4.263 4.340 -0.049 0.000 0.228 104 R C 2.179 178.361 176.300 -0.196 0.000 1.110 104 R CA 1.605 57.630 56.100 -0.125 0.000 0.973 104 R CB -0.578 29.661 30.300 -0.103 0.000 0.869 104 R HN 0.517 nan 8.270 nan 0.000 0.440 105 T N 0.356 114.757 114.554 -0.255 0.000 2.821 105 T HA -0.079 4.241 4.350 -0.049 0.000 0.267 105 T C 0.769 175.053 174.700 -0.694 0.000 1.046 105 T CA 1.190 63.026 62.100 -0.439 0.000 1.139 105 T CB -0.065 68.550 68.868 -0.423 0.000 0.871 105 T HN 0.119 nan 8.240 nan 0.000 0.454 106 F N 1.455 121.195 119.950 -0.349 0.000 2.837 106 F HA 0.416 4.913 4.527 -0.050 0.000 0.298 106 F C 1.011 176.648 175.800 -0.271 0.000 1.161 106 F CA -0.762 57.030 58.000 -0.347 0.000 1.353 106 F CB 0.024 38.686 39.000 -0.563 0.000 0.951 106 F HN -0.081 nan 8.300 nan 0.000 0.508 107 S N 0.705 116.336 115.700 -0.116 0.000 2.784 107 S HA 0.270 4.710 4.470 -0.049 0.000 0.322 107 S C 1.404 176.012 174.600 0.013 0.000 1.234 107 S CA 1.237 59.417 58.200 -0.033 0.000 1.064 107 S CB 0.018 63.186 63.200 -0.053 0.000 0.787 107 S HN 0.959 nan 8.310 nan 0.000 0.506 108 G N 4.142 112.980 108.800 0.062 0.000 2.498 108 G HA2 -0.281 3.649 3.960 -0.049 0.000 0.229 108 G HA3 -0.281 3.649 3.960 -0.049 0.000 0.229 108 G C 0.113 175.020 174.900 0.010 0.000 1.156 108 G CA 0.417 45.538 45.100 0.034 0.000 0.680 108 G HN 0.786 nan 8.290 nan 0.000 0.512 109 Q N 0.318 120.113 119.800 -0.008 0.000 2.386 109 Q HA 0.433 4.744 4.340 -0.049 0.000 0.282 109 Q C 1.112 177.031 176.000 -0.135 0.000 1.050 109 Q CA 0.316 55.998 55.803 -0.202 0.000 0.918 109 Q CB 0.225 28.839 28.738 -0.207 0.000 1.266 109 Q HN 0.690 nan 8.270 nan 0.000 0.423 110 Y N -1.505 118.793 120.300 -0.002 0.000 2.831 110 Y HA -0.426 4.095 4.550 -0.049 0.000 0.469 110 Y C 1.123 177.004 175.900 -0.032 0.000 1.152 110 Y CA 1.668 59.740 58.100 -0.047 0.000 2.680 110 Y CB -1.452 36.863 38.460 -0.242 0.000 1.183 110 Y HN 0.929 nan 8.280 nan 0.000 0.623 111 W N -0.249 121.063 121.300 0.020 0.000 3.290 111 W HA 0.465 5.095 4.660 -0.050 0.000 0.287 111 W C -0.281 176.138 176.519 -0.167 0.000 1.288 111 W CA -0.832 56.428 57.345 -0.141 0.000 1.725 111 W CB -0.637 28.668 29.460 -0.259 0.000 1.103 111 W HN 0.057 nan 8.180 nan 0.000 0.670 112 F N 5.003 124.764 119.950 -0.315 0.000 2.456 112 F HA 0.281 4.778 4.527 -0.050 0.000 0.358 112 F C -1.113 174.665 175.800 -0.037 0.000 1.095 112 F CA -2.329 55.565 58.000 -0.176 0.000 1.216 112 F CB 0.135 39.005 39.000 -0.216 0.000 1.125 112 F HN -0.289 nan 8.300 nan 0.000 0.549 113 P HA -0.012 nan 4.420 nan 0.000 0.275 113 P C -0.886 176.470 177.300 0.093 0.000 1.266 113 P CA -0.418 62.752 63.100 0.117 0.000 0.793 113 P CB 0.813 32.576 31.700 0.105 0.000 1.074 114 D N 1.026 121.459 120.400 0.054 0.000 2.343 114 D HA 0.079 4.690 4.640 -0.049 0.000 0.255 114 D C 0.849 177.162 176.300 0.023 0.000 1.187 114 D CA 0.018 54.036 54.000 0.029 0.000 0.875 114 D CB 0.300 41.109 40.800 0.016 0.000 1.136 114 D HN 0.068 nan 8.370 nan 0.000 0.469 115 M N 1.825 121.430 119.600 0.009 0.000 2.441 115 M HA 0.007 4.457 4.480 -0.049 0.000 0.244 115 M C 0.743 177.034 176.300 -0.015 0.000 1.122 115 M CA 0.167 55.466 55.300 -0.001 0.000 1.041 115 M CB -0.948 31.645 32.600 -0.012 0.000 1.438 115 M HN 0.409 nan 8.290 nan 0.000 0.484 116 T N 0.027 114.571 114.554 -0.017 0.000 2.871 116 T HA 0.083 4.403 4.350 -0.049 0.000 0.296 116 T C 0.680 175.370 174.700 -0.016 0.000 0.998 116 T CA 0.219 62.306 62.100 -0.021 0.000 1.162 116 T CB 0.756 69.612 68.868 -0.021 0.000 0.947 116 T HN 0.413 nan 8.240 nan 0.000 0.536 117 E N -0.252 119.936 120.200 -0.019 0.000 2.791 117 E HA -0.197 4.123 4.350 -0.049 0.000 0.271 117 E C -0.394 176.196 176.600 -0.015 0.000 1.044 117 E CA 1.198 57.588 56.400 -0.017 0.000 0.814 117 E CB -1.123 28.570 29.700 -0.012 0.000 1.400 117 E HN 0.834 nan 8.360 nan 0.000 0.423 118 K N 0.129 120.518 120.400 -0.017 0.000 2.293 118 K HA 0.490 4.780 4.320 -0.049 0.000 0.267 118 K C -1.247 175.338 176.600 -0.026 0.000 1.010 118 K CA -0.719 55.560 56.287 -0.014 0.000 0.875 118 K CB 1.263 33.760 32.500 -0.004 0.000 1.106 118 K HN -0.011 nan 8.250 nan 0.000 0.450 119 V N 5.361 125.257 119.914 -0.031 0.000 2.370 119 V HA 0.364 4.455 4.120 -0.049 0.000 0.283 119 V C -0.304 175.759 176.094 -0.052 0.000 1.023 119 V CA -1.090 61.181 62.300 -0.050 0.000 0.857 119 V CB 1.552 33.342 31.823 -0.054 0.000 0.985 119 V HN 0.542 nan 8.190 nan 0.000 0.443 120 V N 3.644 123.516 119.914 -0.070 0.000 2.583 120 V HA 0.446 4.536 4.120 -0.049 0.000 0.287 120 V C 1.124 177.165 176.094 -0.089 0.000 1.051 120 V CA -0.189 62.075 62.300 -0.061 0.000 1.010 120 V CB 1.482 33.270 31.823 -0.058 0.000 0.988 120 V HN 0.990 nan 8.190 nan 0.000 0.478 121 G N 3.587 112.354 108.800 -0.055 0.000 2.356 121 G HA2 0.341 4.271 3.960 -0.049 0.000 0.273 121 G HA3 0.341 4.271 3.960 -0.049 0.000 0.273 121 G C 0.792 175.652 174.900 -0.067 0.000 1.213 121 G CA -0.306 44.752 45.100 -0.070 0.000 0.955 121 G HN 0.737 nan 8.290 nan 0.000 0.454 122 I N 1.793 122.276 120.570 -0.144 0.000 2.202 122 I HA -0.153 3.988 4.170 -0.049 0.000 0.242 122 I C 2.755 178.833 176.117 -0.066 0.000 1.091 122 I CA 1.160 62.392 61.300 -0.114 0.000 1.368 122 I CB -0.056 37.769 38.000 -0.293 0.000 1.058 122 I HN 0.558 nan 8.210 nan 0.000 0.410 123 K N 0.919 121.237 120.400 -0.137 0.000 2.152 123 K HA -0.209 4.082 4.320 -0.049 0.000 0.206 123 K C 1.961 178.558 176.600 -0.004 0.000 1.048 123 K CA 1.338 57.571 56.287 -0.090 0.000 0.933 123 K CB 0.088 32.518 32.500 -0.117 0.000 0.721 123 K HN 0.268 nan 8.250 nan 0.000 0.447 124 E N 0.353 120.556 120.200 0.005 0.000 2.058 124 E HA -0.170 4.150 4.350 -0.049 0.000 0.194 124 E C 2.153 178.801 176.600 0.080 0.000 0.997 124 E CA 1.292 57.714 56.400 0.037 0.000 0.801 124 E CB -0.393 29.326 29.700 0.032 0.000 0.746 124 E HN 0.174 nan 8.360 nan 0.000 0.450 125 V N 1.466 121.449 119.914 0.116 0.000 2.358 125 V HA -0.182 3.908 4.120 -0.049 0.000 0.246 125 V C 2.635 178.873 176.094 0.240 0.000 1.047 125 V CA 1.213 63.621 62.300 0.181 0.000 1.035 125 V CB -0.515 31.460 31.823 0.254 0.000 0.658 125 V HN 0.043 nan 8.190 nan 0.000 0.452 126 V N 0.238 120.275 119.914 0.204 0.000 2.407 126 V HA -0.246 3.844 4.120 -0.049 0.000 0.248 126 V C 2.279 178.520 176.094 0.244 0.000 1.055 126 V CA 2.114 64.586 62.300 0.287 0.000 1.049 126 V CB -0.697 31.227 31.823 0.168 0.000 0.662 126 V HN 0.536 nan 8.190 nan 0.000 0.455 127 D N -0.126 120.357 120.400 0.138 0.000 2.144 127 D HA -0.139 4.471 4.640 -0.049 0.000 0.199 127 D C 1.948 178.292 176.300 0.073 0.000 0.984 127 D CA 1.052 55.105 54.000 0.088 0.000 0.834 127 D CB -0.270 40.563 40.800 0.055 0.000 0.955 127 D HN 0.373 nan 8.370 nan 0.000 0.465 128 L N -0.025 121.258 121.223 0.098 0.000 2.046 128 L HA -0.109 4.202 4.340 -0.049 0.000 0.208 128 L C 2.078 178.984 176.870 0.061 0.000 1.077 128 L CA 1.483 56.364 54.840 0.069 0.000 0.747 128 L CB -0.829 41.282 42.059 0.086 0.000 0.896 128 L HN 0.027 nan 8.230 nan 0.000 0.432 129 F N 0.303 120.247 119.950 -0.010 0.000 2.102 129 F HA -0.215 4.282 4.527 -0.049 0.000 0.298 129 F C 2.547 178.297 175.800 -0.083 0.000 1.105 129 F CA 1.660 59.617 58.000 -0.073 0.000 1.239 129 F CB -0.183 38.773 39.000 -0.073 0.000 0.991 129 F HN -0.018 nan 8.300 nan 0.000 0.474 130 R N 0.337 120.687 120.500 -0.251 0.000 2.105 130 R HA -0.155 4.155 4.340 -0.049 0.000 0.239 130 R C 2.410 178.546 176.300 -0.273 0.000 1.135 130 R CA 1.262 57.168 56.100 -0.322 0.000 0.967 130 R CB -0.812 29.451 30.300 -0.063 0.000 0.861 130 R HN 0.428 nan 8.270 nan 0.000 0.442 131 A N 0.070 122.792 122.820 -0.164 0.000 2.015 131 A HA -0.027 4.263 4.320 -0.049 0.000 0.219 131 A C 2.002 179.489 177.584 -0.163 0.000 1.163 131 A CA 1.616 53.581 52.037 -0.120 0.000 0.646 131 A CB -0.277 18.687 19.000 -0.060 0.000 0.806 131 A HN 0.467 nan 8.150 nan 0.000 0.448 132 G N -0.675 107.983 108.800 -0.237 0.000 3.192 132 G HA2 0.135 4.066 3.960 -0.049 0.000 0.239 132 G HA3 0.135 4.066 3.960 -0.049 0.000 0.239 132 G C 1.296 175.980 174.900 -0.361 0.000 1.084 132 G CA 0.409 45.368 45.100 -0.235 0.000 0.784 132 G HN 0.643 nan 8.290 nan 0.000 0.540 133 R N 0.530 120.668 120.500 -0.603 0.000 2.241 133 R HA 0.046 4.357 4.340 -0.049 0.000 0.224 133 R C 1.363 177.182 176.300 -0.801 0.000 1.101 133 R CA 1.049 56.670 56.100 -0.799 0.000 0.995 133 R CB -0.407 29.167 30.300 -1.209 0.000 0.870 133 R HN 0.109 nan 8.270 nan 0.000 0.463 134 N N 0.997 119.420 118.700 -0.462 0.000 2.459 134 N HA -0.068 4.643 4.740 -0.049 0.000 0.181 134 N C 1.756 177.165 175.510 -0.168 0.000 1.046 134 N CA 1.199 54.102 53.050 -0.245 0.000 0.904 134 N CB -0.039 38.418 38.487 -0.050 0.000 0.964 134 N HN 0.502 nan 8.380 nan 0.000 0.444 135 G N 2.513 111.193 108.800 -0.200 0.000 2.453 135 G HA2 -0.172 3.758 3.960 -0.049 0.000 0.215 135 G HA3 -0.172 3.758 3.960 -0.049 0.000 0.215 135 G C -0.717 174.114 174.900 -0.115 0.000 1.201 135 G CA 0.554 45.581 45.100 -0.121 0.000 0.784 135 G HN 0.312 nan 8.290 nan 0.000 0.545 136 P HA -0.086 nan 4.420 nan 0.000 0.216 136 P C 1.434 178.700 177.300 -0.058 0.000 1.150 136 P CA 1.141 64.161 63.100 -0.134 0.000 0.837 136 P CB -0.064 31.526 31.700 -0.184 0.000 0.786 137 H N -0.791 118.176 119.070 -0.171 0.000 2.319 137 H HA -0.058 4.470 4.556 -0.047 0.000 0.299 137 H C 2.258 177.544 175.328 -0.071 0.000 1.092 137 H CA 1.805 57.741 56.048 -0.187 0.000 1.302 137 H CB -1.329 28.262 29.762 -0.285 0.000 1.373 137 H HN 0.121 nan 8.280 nan 0.000 0.497 138 G N 0.573 109.450 108.800 0.127 0.000 2.418 138 G HA2 -0.184 3.747 3.960 -0.049 0.000 0.217 138 G HA3 -0.184 3.747 3.960 -0.049 0.000 0.217 138 G C 1.905 176.870 174.900 0.108 0.000 1.158 138 G CA 0.910 46.110 45.100 0.168 0.000 0.771 138 G HN 0.364 nan 8.290 nan 0.000 0.545 139 I N 0.519 121.126 120.570 0.061 0.000 2.252 139 I HA -0.163 3.977 4.170 -0.049 0.000 0.245 139 I C 2.878 179.040 176.117 0.076 0.000 1.102 139 I CA 0.742 62.086 61.300 0.073 0.000 1.385 139 I CB -0.228 37.786 38.000 0.024 0.000 1.064 139 I HN 0.106 nan 8.210 nan 0.000 0.414 140 M N 0.381 119.987 119.600 0.010 0.000 2.080 140 M HA -0.216 4.235 4.480 -0.049 0.000 0.260 140 M C 1.997 178.200 176.300 -0.162 0.000 1.068 140 M CA 1.911 57.185 55.300 -0.044 0.000 1.109 140 M CB -1.623 30.966 32.600 -0.020 0.000 1.342 140 M HN 0.352 nan 8.290 nan 0.000 0.405 141 N N -0.560 117.954 118.700 -0.310 0.000 2.120 141 N HA -0.170 4.541 4.740 -0.049 0.000 0.188 141 N C 1.727 176.928 175.510 -0.516 0.000 1.024 141 N CA 1.026 53.678 53.050 -0.663 0.000 0.852 141 N CB -0.169 37.526 38.487 -1.320 0.000 1.003 141 N HN 0.169 nan 8.380 nan 0.000 0.424 142 F N 2.283 121.968 119.950 -0.442 0.000 2.084 142 F HA -0.176 4.322 4.527 -0.049 0.000 0.296 142 F C 2.758 178.558 175.800 -0.001 0.000 1.111 142 F CA 1.434 59.397 58.000 -0.061 0.000 1.224 142 F CB -0.449 38.632 39.000 0.135 0.000 0.991 142 F HN -0.025 nan 8.300 nan 0.000 0.471 143 Q N 0.006 119.914 119.800 0.180 0.000 2.061 143 Q HA -0.205 4.105 4.340 -0.049 0.000 0.204 143 Q C 2.283 178.228 176.000 -0.092 0.000 0.984 143 Q CA 2.283 58.123 55.803 0.061 0.000 0.846 143 Q CB -0.269 28.522 28.738 0.089 0.000 0.902 143 Q HN 0.473 nan 8.270 nan 0.000 0.421 144 S N 0.531 116.177 115.700 -0.089 0.000 2.359 144 S HA -0.176 4.265 4.470 -0.049 0.000 0.224 144 S C 1.783 176.373 174.600 -0.017 0.000 1.035 144 S CA 1.605 59.766 58.200 -0.064 0.000 1.018 144 S CB -0.197 62.960 63.200 -0.071 0.000 0.876 144 S HN 0.351 nan 8.310 nan 0.000 0.448 145 K N 0.648 121.041 120.400 -0.012 0.000 2.044 145 K HA -0.016 4.275 4.320 -0.049 0.000 0.204 145 K C 1.778 178.288 176.600 -0.151 0.000 1.045 145 K CA 1.004 57.250 56.287 -0.068 0.000 0.951 145 K CB 0.037 32.535 32.500 -0.004 0.000 0.738 145 K HN 0.097 nan 8.250 nan 0.000 0.443 146 E N 0.436 120.458 120.200 -0.296 0.000 2.170 146 E HA -0.088 4.232 4.350 -0.049 0.000 0.191 146 E C 1.850 178.304 176.600 -0.244 0.000 0.981 146 E CA 1.010 57.207 56.400 -0.339 0.000 0.830 146 E CB 0.264 29.520 29.700 -0.740 0.000 0.775 146 E HN 0.446 nan 8.360 nan 0.000 0.470 147 Q N -0.398 119.270 119.800 -0.221 0.000 2.394 147 Q HA 0.230 4.541 4.340 -0.049 0.000 0.218 147 Q C 1.921 177.860 176.000 -0.101 0.000 0.907 147 Q CA 0.175 55.909 55.803 -0.115 0.000 0.919 147 Q CB 0.639 29.346 28.738 -0.052 0.000 1.051 147 Q HN 0.156 nan 8.270 nan 0.000 0.538 148 L N 0.536 121.691 121.223 -0.113 0.000 2.640 148 L HA 0.163 4.473 4.340 -0.049 0.000 0.230 148 L C -0.292 176.516 176.870 -0.103 0.000 1.123 148 L CA -0.201 54.571 54.840 -0.115 0.000 0.900 148 L CB 0.109 42.085 42.059 -0.138 0.000 1.146 148 L HN 0.180 nan 8.230 nan 0.000 0.484 149 N N 1.201 119.841 118.700 -0.100 0.000 2.727 149 N HA -0.167 4.544 4.740 -0.049 0.000 0.249 149 N C -0.389 175.064 175.510 -0.095 0.000 1.048 149 N CA 0.802 53.796 53.050 -0.094 0.000 0.714 149 N CB -1.625 36.814 38.487 -0.079 0.000 0.959 149 N HN 0.335 nan 8.380 nan 0.000 0.544 150 L N 0.224 121.390 121.223 -0.094 0.000 2.379 150 L HA 0.345 4.655 4.340 -0.049 0.000 0.269 150 L C 0.946 177.713 176.870 -0.171 0.000 1.084 150 L CA -0.419 54.375 54.840 -0.077 0.000 0.802 150 L CB 0.988 43.042 42.059 -0.008 0.000 1.175 150 L HN 0.010 nan 8.230 nan 0.000 0.448 151 E N 1.324 121.437 120.200 -0.145 0.000 2.191 151 E HA 0.515 4.836 4.350 -0.049 0.000 0.278 151 E C -1.706 174.778 176.600 -0.195 0.000 0.972 151 E CA -0.470 55.774 56.400 -0.260 0.000 0.804 151 E CB 1.857 31.491 29.700 -0.110 0.000 1.110 151 E HN 0.401 nan 8.360 nan 0.000 0.394 152 Y N -0.393 119.762 120.300 -0.241 0.000 2.641 152 Y HA 0.558 5.075 4.550 -0.055 0.000 0.333 152 Y C -1.523 174.220 175.900 -0.262 0.000 1.174 152 Y CA -1.308 56.642 58.100 -0.249 0.000 1.057 152 Y CB 0.771 39.107 38.460 -0.207 0.000 1.322 152 Y HN 0.325 nan 8.280 nan 0.000 0.457 153 I N 4.031 124.628 120.570 0.044 0.000 2.439 153 I HA 0.450 4.591 4.170 -0.049 0.000 0.283 153 I C -0.935 175.213 176.117 0.051 0.000 1.023 153 I CA -0.562 60.758 61.300 0.033 0.000 1.100 153 I CB 1.430 39.414 38.000 -0.028 0.000 1.238 153 I HN 0.526 nan 8.210 nan 0.000 0.445 154 L N 5.053 126.328 121.223 0.086 0.000 2.332 154 L HA 0.527 4.837 4.340 -0.049 0.000 0.269 154 L C 0.712 177.612 176.870 0.050 0.000 1.016 154 L CA -0.868 53.975 54.840 0.006 0.000 0.809 154 L CB 0.908 42.933 42.059 -0.057 0.000 1.280 154 L HN 0.645 nan 8.230 nan 0.000 0.447 155 N N 0.007 118.710 118.700 0.005 0.000 2.754 155 N HA -0.204 4.506 4.740 -0.049 0.000 0.248 155 N C -1.086 174.448 175.510 0.040 0.000 1.093 155 N CA 0.561 53.634 53.050 0.038 0.000 0.699 155 N CB -0.814 37.736 38.487 0.106 0.000 1.016 155 N HN 0.719 nan 8.380 nan 0.000 0.552 156 C N 0.524 119.828 119.300 0.007 0.000 2.705 156 C HA 0.567 4.998 4.460 -0.049 0.000 0.369 156 C C -2.619 172.359 174.990 -0.021 0.000 1.069 156 C CA -1.356 57.671 59.018 0.015 0.000 1.260 156 C CB 0.949 28.722 27.740 0.056 0.000 1.764 156 C HN 0.296 nan 8.230 nan 0.000 0.469 157 P HA 0.326 nan 4.420 nan 0.000 0.271 157 P C -0.557 176.730 177.300 -0.022 0.000 1.216 157 P CA 0.324 63.395 63.100 -0.050 0.000 0.771 157 P CB 0.732 32.403 31.700 -0.049 0.000 0.864 158 A N 3.383 126.184 122.820 -0.031 0.000 2.354 158 A HA 0.444 4.734 4.320 -0.049 0.000 0.269 158 A C -0.175 177.408 177.584 -0.001 0.000 1.109 158 A CA -0.153 51.877 52.037 -0.011 0.000 0.800 158 A CB 0.062 19.048 19.000 -0.024 0.000 1.045 158 A HN 0.360 nan 8.150 nan 0.000 0.489 159 K N 1.656 122.068 120.400 0.020 0.000 2.464 159 K HA 0.440 4.731 4.320 -0.049 0.000 0.252 159 K C -1.038 175.579 176.600 0.028 0.000 1.000 159 K CA -0.235 56.065 56.287 0.022 0.000 0.951 159 K CB 1.524 34.043 32.500 0.031 0.000 1.183 159 K HN 0.349 nan 8.250 nan 0.000 0.445 160 V N 5.557 125.480 119.914 0.016 0.000 2.439 160 V HA 0.027 4.117 4.120 -0.049 0.000 0.271 160 V C 1.389 177.497 176.094 0.024 0.000 1.040 160 V CA -0.140 62.170 62.300 0.018 0.000 1.002 160 V CB 0.149 31.973 31.823 0.003 0.000 1.000 160 V HN 0.669 nan 8.190 nan 0.000 0.477 161 I N 3.328 123.919 120.570 0.037 0.000 2.260 161 I HA 0.086 4.226 4.170 -0.049 0.000 0.237 161 I C 0.887 177.026 176.117 0.036 0.000 1.075 161 I CA 1.213 62.536 61.300 0.038 0.000 1.376 161 I CB -0.574 37.455 38.000 0.049 0.000 1.107 161 I HN 0.843 nan 8.210 nan 0.000 0.420 162 D N -1.162 119.266 120.400 0.046 0.000 2.812 162 D HA 0.018 4.629 4.640 -0.049 0.000 0.318 162 D C 0.187 176.510 176.300 0.038 0.000 1.234 162 D CA -0.514 53.516 54.000 0.049 0.000 0.989 162 D CB -0.333 40.510 40.800 0.073 0.000 1.442 162 D HN 0.176 nan 8.370 nan 0.000 0.537 163 N N -1.571 117.150 118.700 0.036 0.000 2.609 163 N HA -0.121 4.590 4.740 -0.049 0.000 0.190 163 N C 0.043 175.395 175.510 -0.263 0.000 1.157 163 N CA 0.622 53.624 53.050 -0.081 0.000 0.918 163 N CB -0.254 38.177 38.487 -0.092 0.000 0.978 163 N HN 0.335 nan 8.380 nan 0.000 0.448 164 H N -1.759 117.331 119.070 0.033 0.000 3.540 164 H HA 0.251 4.776 4.556 -0.051 0.000 0.259 164 H C -0.815 174.549 175.328 0.060 0.000 1.197 164 H CA -0.168 55.908 56.048 0.047 0.000 1.136 164 H CB 1.235 31.025 29.762 0.046 0.000 1.605 164 H HN 0.094 nan 8.280 nan 0.000 0.657 165 T N 1.028 115.664 114.554 0.136 0.000 2.881 165 T HA 0.618 4.938 4.350 -0.049 0.000 0.290 165 T C -0.854 173.902 174.700 0.093 0.000 1.000 165 T CA -0.672 61.501 62.100 0.121 0.000 0.978 165 T CB 2.412 71.342 68.868 0.104 0.000 0.997 165 T HN -0.132 nan 8.240 nan 0.000 0.443 166 V N 2.164 122.153 119.914 0.124 0.000 2.808 166 V HA 0.513 4.604 4.120 -0.049 0.000 0.308 166 V C -0.471 175.736 176.094 0.190 0.000 1.099 166 V CA -0.986 61.382 62.300 0.113 0.000 0.920 166 V CB 2.167 34.028 31.823 0.064 0.000 1.014 166 V HN 0.958 nan 8.190 nan 0.000 0.425 167 E N 3.051 123.338 120.200 0.145 0.000 2.175 167 E HA 0.795 5.115 4.350 -0.049 0.000 0.278 167 E C -0.722 175.989 176.600 0.184 0.000 0.969 167 E CA -0.494 56.011 56.400 0.176 0.000 0.796 167 E CB 1.795 31.555 29.700 0.100 0.000 1.104 167 E HN 0.980 nan 8.360 nan 0.000 0.395 168 A N 3.044 126.038 122.820 0.291 0.000 2.547 168 A HA 0.633 4.924 4.320 -0.049 0.000 0.297 168 A C -0.034 177.735 177.584 0.308 0.000 1.056 168 A CA -0.094 52.084 52.037 0.235 0.000 0.688 168 A CB 1.330 20.408 19.000 0.129 0.000 1.282 168 A HN 1.417 nan 8.150 nan 0.000 0.400 169 A N 0.716 123.658 122.820 0.204 0.000 2.799 169 A HA 0.282 4.572 4.320 -0.049 0.000 0.287 169 A C 2.069 179.719 177.584 0.109 0.000 1.484 169 A CA 1.991 54.131 52.037 0.172 0.000 0.813 169 A CB -1.788 17.372 19.000 0.266 0.000 1.009 169 A HN 3.170 nan 8.150 nan 0.000 0.545 170 G N -2.188 106.671 108.800 0.097 0.000 2.160 170 G HA2 -0.273 3.657 3.960 -0.049 0.000 0.251 170 G HA3 -0.273 3.657 3.960 -0.049 0.000 0.251 170 G C 0.010 174.930 174.900 0.034 0.000 1.008 170 G CA 1.332 46.463 45.100 0.051 0.000 0.724 170 G HN 1.244 nan 8.290 nan 0.000 0.514 171 K N -1.079 119.366 120.400 0.076 0.000 2.400 171 K HA 0.700 4.990 4.320 -0.049 0.000 0.246 171 K C -0.506 176.053 176.600 -0.067 0.000 0.995 171 K CA -1.020 55.239 56.287 -0.047 0.000 0.840 171 K CB 2.857 35.273 32.500 -0.138 0.000 1.293 171 K HN 0.013 nan 8.250 nan 0.000 0.445 172 V N 2.469 122.251 119.914 -0.220 0.000 2.427 172 V HA 0.459 4.549 4.120 -0.049 0.000 0.286 172 V C -1.037 174.870 176.094 -0.311 0.000 1.034 172 V CA -0.550 61.677 62.300 -0.120 0.000 0.893 172 V CB 0.504 32.294 31.823 -0.055 0.000 0.982 172 V HN 0.511 nan 8.190 nan 0.000 0.452 173 F N 3.770 123.761 119.950 0.069 0.000 2.532 173 F HA 0.646 5.127 4.527 -0.076 0.000 0.321 173 F C 0.291 176.149 175.800 0.097 0.000 1.089 173 F CA -0.911 57.146 58.000 0.094 0.000 0.926 173 F CB 1.961 40.977 39.000 0.026 0.000 1.168 173 F HN 0.213 nan 8.300 nan 0.000 0.459 174 K N 1.963 122.555 120.400 0.320 0.000 2.203 174 K HA 0.925 5.216 4.320 -0.049 0.000 0.251 174 K C -0.895 175.885 176.600 0.300 0.000 0.944 174 K CA -0.826 55.610 56.287 0.248 0.000 0.829 174 K CB 2.260 34.866 32.500 0.177 0.000 1.125 174 K HN 0.736 nan 8.250 nan 0.000 0.430 175 A N 1.322 124.291 122.820 0.248 0.000 2.587 175 A HA 0.393 4.683 4.320 -0.049 0.000 0.293 175 A C 0.143 177.873 177.584 0.243 0.000 1.087 175 A CA -0.657 51.520 52.037 0.234 0.000 0.692 175 A CB 1.214 20.300 19.000 0.143 0.000 1.291 175 A HN 0.619 nan 8.150 nan 0.000 0.407 176 K N 0.226 120.747 120.400 0.200 0.000 2.217 176 K HA 0.051 4.341 4.320 -0.049 0.000 0.202 176 K C 0.098 176.764 176.600 0.110 0.000 1.051 176 K CA 0.980 57.399 56.287 0.221 0.000 0.952 176 K CB 0.029 32.616 32.500 0.144 0.000 0.736 176 K HN 0.629 nan 8.250 nan 0.000 0.453 177 N N -0.105 118.606 118.700 0.019 0.000 2.610 177 N HA 0.358 5.068 4.740 -0.049 0.000 0.264 177 N C -1.375 174.074 175.510 -0.102 0.000 1.348 177 N CA -0.590 52.432 53.050 -0.048 0.000 0.819 177 N CB 2.141 40.640 38.487 0.019 0.000 1.521 177 N HN -0.141 nan 8.380 nan 0.000 0.497 178 L N 1.532 122.698 121.223 -0.096 0.000 2.365 178 L HA 0.607 4.917 4.340 -0.049 0.000 0.273 178 L C -0.670 176.131 176.870 -0.114 0.000 1.000 178 L CA -0.678 54.086 54.840 -0.126 0.000 0.819 178 L CB 2.120 44.120 42.059 -0.098 0.000 1.284 178 L HN 0.386 nan 8.230 nan 0.000 0.418 179 I N 4.436 124.849 120.570 -0.262 0.000 2.411 179 I HA 0.305 4.446 4.170 -0.049 0.000 0.284 179 I C -0.457 175.596 176.117 -0.105 0.000 1.012 179 I CA -0.471 60.678 61.300 -0.253 0.000 1.119 179 I CB 1.678 39.239 38.000 -0.733 0.000 1.261 179 I HN 0.359 nan 8.210 nan 0.000 0.448 180 L N 6.390 127.608 121.223 -0.009 0.000 2.315 180 L HA 0.509 4.819 4.340 -0.049 0.000 0.283 180 L C 0.658 177.561 176.870 0.056 0.000 1.089 180 L CA -0.117 54.734 54.840 0.018 0.000 0.833 180 L CB 0.885 42.951 42.059 0.013 0.000 1.170 180 L HN 0.726 nan 8.230 nan 0.000 0.442 181 A N 3.179 126.043 122.820 0.073 0.000 3.234 181 A HA 0.366 4.656 4.320 -0.049 0.000 0.247 181 A C 0.624 178.246 177.584 0.063 0.000 0.938 181 A CA -0.293 51.799 52.037 0.093 0.000 1.039 181 A CB 0.274 19.373 19.000 0.166 0.000 1.197 181 A HN 0.584 nan 8.150 nan 0.000 0.498 182 V N -2.709 117.225 119.914 0.033 0.000 3.623 182 V HA 0.499 4.589 4.120 -0.049 0.000 0.271 182 V C 1.249 177.352 176.094 0.015 0.000 1.248 182 V CA 0.542 62.846 62.300 0.007 0.000 1.156 182 V CB -1.464 30.348 31.823 -0.018 0.000 0.870 182 V HN 1.782 nan 8.190 nan 0.000 0.453 183 G N 0.486 109.307 108.800 0.035 0.000 2.575 183 G HA2 0.146 4.076 3.960 -0.049 0.000 0.267 183 G HA3 0.146 4.076 3.960 -0.049 0.000 0.267 183 G C 0.066 174.985 174.900 0.032 0.000 1.264 183 G CA 0.317 45.443 45.100 0.043 0.000 0.935 183 G HN 1.930 nan 8.290 nan 0.000 0.568 184 A N -1.261 121.588 122.820 0.047 0.000 2.469 184 A HA 1.011 5.301 4.320 -0.049 0.000 0.299 184 A C 0.352 177.978 177.584 0.071 0.000 1.098 184 A CA 0.674 52.737 52.037 0.043 0.000 0.737 184 A CB 1.593 20.614 19.000 0.034 0.000 1.312 184 A HN 2.438 nan 8.150 nan 0.000 0.414 185 G N -0.310 108.525 108.800 0.059 0.000 2.489 185 G HA2 0.658 4.588 3.960 -0.049 0.000 0.327 185 G HA3 0.658 4.588 3.960 -0.049 0.000 0.327 185 G C -3.142 171.813 174.900 0.092 0.000 1.189 185 G CA -1.894 43.252 45.100 0.076 0.000 0.962 185 G HN 0.448 nan 8.290 nan 0.000 0.486 186 P HA 0.143 nan 4.420 nan 0.000 0.264 186 P C 0.712 178.030 177.300 0.031 0.000 1.183 186 P CA 0.251 63.411 63.100 0.099 0.000 0.763 186 P CB 0.691 32.399 31.700 0.013 0.000 0.807 187 G N 2.210 111.022 108.800 0.020 0.000 2.544 187 G HA2 0.419 4.349 3.960 -0.049 0.000 0.242 187 G HA3 0.419 4.349 3.960 -0.049 0.000 0.242 187 G C -0.192 174.692 174.900 -0.027 0.000 1.247 187 G CA -0.183 44.914 45.100 -0.005 0.000 0.840 187 G HN 0.524 nan 8.290 nan 0.000 0.578 188 T N -1.300 113.238 114.554 -0.027 0.000 2.925 188 T HA 0.582 4.903 4.350 -0.049 0.000 0.285 188 T C -0.556 174.121 174.700 -0.038 0.000 1.021 188 T CA -0.843 61.235 62.100 -0.037 0.000 1.042 188 T CB 1.882 70.732 68.868 -0.030 0.000 1.037 188 T HN 0.397 nan 8.240 nan 0.000 0.481 189 L N 1.805 123.001 121.223 -0.046 0.000 2.319 189 L HA 0.490 4.800 4.340 -0.049 0.000 0.281 189 L C -0.915 175.933 176.870 -0.037 0.000 1.005 189 L CA -0.336 54.479 54.840 -0.041 0.000 0.828 189 L CB 1.231 43.260 42.059 -0.051 0.000 1.227 189 L HN 0.677 nan 8.230 nan 0.000 0.415 190 D N 4.272 124.655 120.400 -0.029 0.000 2.608 190 D HA 0.325 4.935 4.640 -0.049 0.000 0.224 190 D C -0.453 175.833 176.300 -0.024 0.000 1.123 190 D CA 0.541 54.526 54.000 -0.025 0.000 1.030 190 D CB 0.092 40.880 40.800 -0.020 0.000 1.093 190 D HN 0.321 nan 8.370 nan 0.000 0.497 191 V N -1.133 118.764 119.914 -0.029 0.000 3.078 191 V HA 0.740 4.830 4.120 -0.049 0.000 0.311 191 V C -2.708 173.368 176.094 -0.029 0.000 1.138 191 V CA -2.320 59.964 62.300 -0.026 0.000 1.007 191 V CB 2.288 34.095 31.823 -0.026 0.000 1.045 191 V HN -0.041 nan 8.190 nan 0.000 0.432 192 P HA 0.372 nan 4.420 nan 0.000 0.271 192 P C 0.839 178.120 177.300 -0.032 0.000 1.216 192 P CA 1.381 64.465 63.100 -0.027 0.000 0.776 192 P CB 1.186 32.873 31.700 -0.022 0.000 0.881 193 G N 1.364 110.142 108.800 -0.037 0.000 2.176 193 G HA2 -0.316 3.614 3.960 -0.049 0.000 0.253 193 G HA3 -0.316 3.614 3.960 -0.049 0.000 0.253 193 G C 0.824 175.689 174.900 -0.059 0.000 0.979 193 G CA 0.132 45.205 45.100 -0.044 0.000 0.641 193 G HN 0.504 nan 8.290 nan 0.000 0.530 194 V N 0.825 120.703 119.914 -0.059 0.000 2.688 194 V HA -0.069 4.021 4.120 -0.049 0.000 0.256 194 V C 1.874 177.912 176.094 -0.094 0.000 1.084 194 V CA 2.518 64.773 62.300 -0.076 0.000 1.103 194 V CB -0.264 31.520 31.823 -0.066 0.000 0.688 194 V HN 0.542 nan 8.190 nan 0.000 0.480 195 N N 0.390 119.042 118.700 -0.081 0.000 2.270 195 N HA 0.259 4.969 4.740 -0.049 0.000 0.198 195 N C 0.459 175.911 175.510 -0.097 0.000 1.117 195 N CA 0.653 53.650 53.050 -0.087 0.000 0.845 195 N CB 0.390 38.840 38.487 -0.062 0.000 0.980 195 N HN 0.519 nan 8.380 nan 0.000 0.486 196 A N 1.045 123.806 122.820 -0.098 0.000 2.406 196 A HA 0.131 4.422 4.320 -0.049 0.000 0.243 196 A C 0.599 178.100 177.584 -0.138 0.000 1.082 196 A CA -0.046 51.933 52.037 -0.096 0.000 0.786 196 A CB 0.536 19.488 19.000 -0.080 0.000 1.029 196 A HN -0.061 nan 8.150 nan 0.000 0.495 197 K N 0.392 120.720 120.400 -0.120 0.000 2.379 197 K HA 0.386 4.677 4.320 -0.049 0.000 0.284 197 K C 1.011 177.526 176.600 -0.141 0.000 1.044 197 K CA 1.080 57.282 56.287 -0.141 0.000 0.974 197 K CB 0.605 33.047 32.500 -0.096 0.000 0.962 197 K HN 1.508 nan 8.250 nan 0.000 0.474 198 G N 1.043 109.714 108.800 -0.215 0.000 2.229 198 G HA2 -0.207 3.724 3.960 -0.049 0.000 0.189 198 G HA3 -0.207 3.724 3.960 -0.049 0.000 0.189 198 G C -0.257 174.504 174.900 -0.233 0.000 1.000 198 G CA -0.375 44.753 45.100 0.047 0.000 0.663 198 G HN 0.365 nan 8.290 nan 0.000 0.493 199 V N 1.907 121.515 119.914 -0.510 0.000 2.383 199 V HA 0.778 4.868 4.120 -0.049 0.000 0.275 199 V C -0.151 175.551 176.094 -0.654 0.000 1.036 199 V CA -0.278 61.767 62.300 -0.425 0.000 0.889 199 V CB 0.648 32.309 31.823 -0.270 0.000 0.985 199 V HN 0.221 nan 8.190 nan 0.000 0.459 200 F N 2.712 122.545 119.950 -0.195 0.000 2.611 200 F HA 0.726 5.223 4.527 -0.050 0.000 0.324 200 F C -0.008 175.569 175.800 -0.371 0.000 1.061 200 F CA -0.931 56.980 58.000 -0.149 0.000 0.954 200 F CB 2.024 41.036 39.000 0.020 0.000 1.301 200 F HN 0.635 nan 8.300 nan 0.000 0.482 201 D N -2.469 117.862 120.400 -0.115 0.000 2.614 201 D HA 0.178 4.788 4.640 -0.049 0.000 0.264 201 D C 0.789 177.001 176.300 -0.147 0.000 1.092 201 D CA -0.546 53.177 54.000 -0.462 0.000 1.071 201 D CB 0.205 40.830 40.800 -0.292 0.000 1.443 201 D HN 0.600 nan 8.370 nan 0.000 0.528 202 H N -0.751 118.263 119.070 -0.093 0.000 2.387 202 H HA -0.096 4.430 4.556 -0.050 0.000 0.299 202 H C 1.422 176.897 175.328 0.245 0.000 1.099 202 H CA 1.788 57.948 56.048 0.187 0.000 1.315 202 H CB -0.597 29.217 29.762 0.087 0.000 1.380 202 H HN 0.440 nan 8.280 nan 0.000 0.513 203 A N 1.399 123.892 122.820 -0.546 0.000 1.872 203 A HA -0.132 4.158 4.320 -0.049 0.000 0.214 203 A C 2.721 180.364 177.584 0.098 0.000 1.187 203 A CA 2.351 54.287 52.037 -0.169 0.000 0.614 203 A CB -1.057 17.806 19.000 -0.228 0.000 0.826 203 A HN 0.682 nan 8.150 nan 0.000 0.442 204 T N -2.115 112.513 114.554 0.122 0.000 3.023 204 T HA -0.015 4.305 4.350 -0.049 0.000 0.266 204 T C 1.696 176.641 174.700 0.408 0.000 1.093 204 T CA 1.138 63.403 62.100 0.275 0.000 1.129 204 T CB -0.340 68.690 68.868 0.271 0.000 0.899 204 T HN 0.167 nan 8.240 nan 0.000 0.491 205 L N 2.636 124.079 121.223 0.366 0.000 2.083 205 L HA 0.058 4.369 4.340 -0.049 0.000 0.209 205 L C 2.272 179.254 176.870 0.187 0.000 1.083 205 L CA 1.585 56.548 54.840 0.206 0.000 0.752 205 L CB -0.459 41.841 42.059 0.402 0.000 0.899 205 L HN 0.380 nan 8.230 nan 0.000 0.433 206 V N -4.220 115.856 119.914 0.270 0.000 3.577 206 V HA 0.227 4.317 4.120 -0.049 0.000 0.294 206 V C 1.275 177.500 176.094 0.217 0.000 1.317 206 V CA 0.491 62.962 62.300 0.284 0.000 1.169 206 V CB -0.466 31.589 31.823 0.386 0.000 1.011 206 V HN 0.418 nan 8.190 nan 0.000 0.426 207 E N 0.758 121.090 120.200 0.220 0.000 2.444 207 E HA 0.177 4.498 4.350 -0.049 0.000 0.209 207 E C 0.937 177.672 176.600 0.225 0.000 0.806 207 E CA 0.436 56.963 56.400 0.211 0.000 1.240 207 E CB 0.650 30.489 29.700 0.231 0.000 1.238 207 E HN 0.774 nan 8.360 nan 0.000 0.591 208 E N 0.862 121.238 120.200 0.293 0.000 2.693 208 E HA 0.137 4.457 4.350 -0.049 0.000 0.214 208 E C -0.244 176.616 176.600 0.434 0.000 0.990 208 E CA -0.189 56.427 56.400 0.361 0.000 1.047 208 E CB 0.733 30.677 29.700 0.408 0.000 1.039 208 E HN -0.130 nan 8.360 nan 0.000 0.475 209 L N 3.034 124.381 121.223 0.207 0.000 2.401 209 L HA 0.123 4.434 4.340 -0.049 0.000 0.283 209 L C 0.119 177.057 176.870 0.113 0.000 1.151 209 L CA 0.110 54.977 54.840 0.046 0.000 0.942 209 L CB 0.135 42.047 42.059 -0.244 0.000 1.283 209 L HN -0.019 nan 8.230 nan 0.000 0.442 210 D N 2.668 123.232 120.400 0.274 0.000 2.368 210 D HA 0.083 4.694 4.640 -0.049 0.000 0.218 210 D C -0.257 176.214 176.300 0.284 0.000 1.112 210 D CA -0.031 54.111 54.000 0.237 0.000 0.834 210 D CB -0.369 40.574 40.800 0.238 0.000 0.953 210 D HN 0.457 nan 8.370 nan 0.000 0.505 211 Y N -2.294 118.060 120.300 0.089 0.000 2.655 211 Y HA 0.694 5.215 4.550 -0.050 0.000 0.336 211 Y C -1.131 174.769 175.900 -0.001 0.000 1.154 211 Y CA -1.769 56.364 58.100 0.055 0.000 1.055 211 Y CB 0.970 39.479 38.460 0.083 0.000 1.295 211 Y HN -0.236 nan 8.280 nan 0.000 0.465 212 E N 2.957 123.118 120.200 -0.066 0.000 2.146 212 E HA 0.504 4.824 4.350 -0.049 0.000 0.282 212 E C -2.749 173.743 176.600 -0.181 0.000 0.989 212 E CA -2.588 53.684 56.400 -0.214 0.000 0.799 212 E CB 1.029 30.677 29.700 -0.087 0.000 1.088 212 E HN 0.468 nan 8.360 nan 0.000 0.397 213 P HA 0.116 nan 4.420 nan 0.000 0.268 213 P C 0.071 177.310 177.300 -0.102 0.000 1.208 213 P CA 0.052 62.972 63.100 -0.299 0.000 0.777 213 P CB 0.776 31.953 31.700 -0.872 0.000 0.875 214 G N 0.319 109.137 108.800 0.029 0.000 2.486 214 G HA2 0.132 4.062 3.960 -0.049 0.000 0.272 214 G HA3 0.132 4.062 3.960 -0.049 0.000 0.272 214 G C 1.091 175.977 174.900 -0.024 0.000 1.426 214 G CA 0.186 45.299 45.100 0.023 0.000 1.058 214 G HN 0.511 nan 8.290 nan 0.000 0.531 215 S N -2.093 113.603 115.700 -0.005 0.000 2.522 215 S HA 0.124 4.564 4.470 -0.049 0.000 0.227 215 S C 0.821 175.419 174.600 -0.004 0.000 0.986 215 S CA 0.762 58.953 58.200 -0.015 0.000 0.929 215 S CB 0.016 63.212 63.200 -0.006 0.000 0.769 215 S HN 0.412 nan 8.310 nan 0.000 0.529 216 T N 1.693 116.259 114.554 0.020 0.000 2.863 216 T HA 0.676 4.997 4.350 -0.049 0.000 0.285 216 T C -1.070 173.673 174.700 0.072 0.000 1.009 216 T CA -0.546 61.578 62.100 0.040 0.000 0.989 216 T CB 2.021 70.916 68.868 0.045 0.000 1.004 216 T HN 0.032 nan 8.240 nan 0.000 0.455 217 V N 2.865 122.829 119.914 0.083 0.000 2.638 217 V HA 0.549 4.640 4.120 -0.049 0.000 0.306 217 V C -0.612 175.554 176.094 0.120 0.000 1.052 217 V CA -0.772 61.606 62.300 0.130 0.000 0.885 217 V CB 2.172 34.049 31.823 0.091 0.000 0.999 217 V HN 0.704 nan 8.190 nan 0.000 0.424 218 V N 5.244 125.221 119.914 0.106 0.000 2.384 218 V HA 0.499 4.589 4.120 -0.049 0.000 0.287 218 V C -0.271 175.896 176.094 0.122 0.000 1.020 218 V CA -0.530 61.826 62.300 0.094 0.000 0.850 218 V CB 1.908 33.766 31.823 0.057 0.000 0.987 218 V HN 0.610 nan 8.190 nan 0.000 0.436 219 V N 5.869 125.887 119.914 0.173 0.000 2.435 219 V HA 0.477 4.568 4.120 -0.049 0.000 0.290 219 V C -0.193 175.997 176.094 0.160 0.000 1.030 219 V CA -0.579 61.870 62.300 0.248 0.000 0.881 219 V CB 2.075 34.091 31.823 0.323 0.000 0.983 219 V HN 0.599 nan 8.190 nan 0.000 0.445 220 V N 4.138 124.131 119.914 0.132 0.000 2.357 220 V HA 0.961 5.052 4.120 -0.049 0.000 0.284 220 V C 0.497 176.632 176.094 0.068 0.000 1.018 220 V CA 0.366 62.706 62.300 0.067 0.000 0.841 220 V CB 0.704 32.536 31.823 0.015 0.000 0.991 220 V HN 1.290 nan 8.190 nan 0.000 0.437 221 G N 3.476 112.313 108.800 0.063 0.000 2.375 221 G HA2 0.373 4.304 3.960 -0.049 0.000 0.663 221 G HA3 0.373 4.304 3.960 -0.049 0.000 0.663 221 G C 0.051 174.989 174.900 0.064 0.000 1.391 221 G CA -0.264 44.869 45.100 0.054 0.000 0.949 221 G HN 1.113 nan 8.290 nan 0.000 0.646 222 G N -0.482 108.346 108.800 0.046 0.000 3.735 222 G HA2 0.615 4.546 3.960 -0.049 0.000 0.283 222 G HA3 0.615 4.546 3.960 -0.049 0.000 0.283 222 G C 0.919 175.841 174.900 0.037 0.000 1.007 222 G CA 1.411 46.537 45.100 0.042 0.000 0.821 222 G HN 1.787 nan 8.290 nan 0.000 0.505 223 S N -0.098 115.625 115.700 0.039 0.000 2.634 223 S HA 0.267 4.707 4.470 -0.049 0.000 0.254 223 S C 1.337 175.953 174.600 0.027 0.000 1.299 223 S CA -0.131 58.086 58.200 0.027 0.000 0.974 223 S CB 1.302 64.513 63.200 0.019 0.000 1.001 223 S HN 0.144 nan 8.310 nan 0.000 0.584 224 K N 0.101 120.503 120.400 0.002 0.000 2.025 224 K HA -0.069 4.221 4.320 -0.049 0.000 0.207 224 K C 2.448 179.032 176.600 -0.028 0.000 1.049 224 K CA 1.717 57.990 56.287 -0.024 0.000 0.933 224 K CB -0.922 31.530 32.500 -0.081 0.000 0.714 224 K HN 0.657 nan 8.250 nan 0.000 0.438 225 T N 1.302 115.839 114.554 -0.028 0.000 2.665 225 T HA -0.206 4.115 4.350 -0.049 0.000 0.268 225 T C 1.996 176.784 174.700 0.147 0.000 1.035 225 T CA 1.589 63.703 62.100 0.025 0.000 1.151 225 T CB -0.328 68.525 68.868 -0.026 0.000 0.862 225 T HN 0.353 nan 8.240 nan 0.000 0.438 226 A N 0.787 123.698 122.820 0.153 0.000 1.902 226 A HA -0.058 4.232 4.320 -0.049 0.000 0.217 226 A C 2.602 180.271 177.584 0.142 0.000 1.181 226 A CA 1.509 53.675 52.037 0.215 0.000 0.623 226 A CB -0.965 18.138 19.000 0.172 0.000 0.818 226 A HN 0.371 nan 8.150 nan 0.000 0.443 227 V N -0.107 119.859 119.914 0.087 0.000 2.379 227 V HA -0.237 3.853 4.120 -0.049 0.000 0.245 227 V C 2.392 178.496 176.094 0.017 0.000 1.044 227 V CA 2.227 64.559 62.300 0.054 0.000 1.036 227 V CB -0.859 30.993 31.823 0.048 0.000 0.664 227 V HN 0.638 nan 8.190 nan 0.000 0.453 228 E N -0.779 119.435 120.200 0.023 0.000 2.031 228 E HA -0.221 4.099 4.350 -0.049 0.000 0.193 228 E C 2.145 178.669 176.600 -0.127 0.000 0.994 228 E CA 1.842 58.229 56.400 -0.022 0.000 0.800 228 E CB -0.285 29.356 29.700 -0.098 0.000 0.752 228 E HN 0.705 nan 8.360 nan 0.000 0.447 229 Y N 0.241 120.350 120.300 -0.318 0.000 2.242 229 Y HA -0.119 4.401 4.550 -0.050 0.000 0.291 229 Y C 2.537 177.973 175.900 -0.773 0.000 1.137 229 Y CA 0.790 58.481 58.100 -0.682 0.000 1.181 229 Y CB -0.361 37.484 38.460 -1.025 0.000 0.989 229 Y HN 0.123 nan 8.280 nan 0.000 0.527 230 G N -0.991 107.718 108.800 -0.151 0.000 2.418 230 G HA2 -0.261 3.670 3.960 -0.049 0.000 0.217 230 G HA3 -0.261 3.670 3.960 -0.049 0.000 0.217 230 G C 1.625 176.494 174.900 -0.052 0.000 1.158 230 G CA 1.262 46.378 45.100 0.027 0.000 0.771 230 G HN 0.446 nan 8.290 nan 0.000 0.545 231 C N -0.121 119.085 119.300 -0.156 0.000 2.435 231 C HA 0.054 4.485 4.460 -0.049 0.000 0.279 231 C C 2.396 177.245 174.990 -0.234 0.000 1.321 231 C CA 0.547 59.365 59.018 -0.333 0.000 1.752 231 C CB -1.148 26.213 27.740 -0.632 0.000 1.959 231 C HN 0.476 nan 8.230 nan 0.000 0.500 232 F N 1.333 121.053 119.950 -0.385 0.000 2.084 232 F HA -0.045 4.453 4.527 -0.049 0.000 0.296 232 F C 1.888 177.559 175.800 -0.215 0.000 1.111 232 F CA 1.495 59.280 58.000 -0.359 0.000 1.224 232 F CB -0.802 37.838 39.000 -0.599 0.000 0.991 232 F HN 0.150 nan 8.300 nan 0.000 0.471 233 F N 1.042 120.765 119.950 -0.378 0.000 2.126 233 F HA -0.198 4.299 4.527 -0.050 0.000 0.299 233 F C 2.452 178.082 175.800 -0.284 0.000 1.096 233 F CA 1.593 59.339 58.000 -0.424 0.000 1.255 233 F CB -1.901 37.024 39.000 -0.126 0.000 0.997 233 F HN 0.193 nan 8.300 nan 0.000 0.479 234 N N 0.471 119.200 118.700 0.047 0.000 2.120 234 N HA -0.147 4.564 4.740 -0.049 0.000 0.188 234 N C 1.810 177.337 175.510 0.028 0.000 1.024 234 N CA 1.385 54.473 53.050 0.064 0.000 0.852 234 N CB -0.292 38.281 38.487 0.144 0.000 1.003 234 N HN 0.135 nan 8.380 nan 0.000 0.424 235 A N -0.387 122.457 122.820 0.039 0.000 2.019 235 A HA -0.121 4.169 4.320 -0.049 0.000 0.219 235 A C 2.189 179.717 177.584 -0.093 0.000 1.164 235 A CA 1.933 53.989 52.037 0.031 0.000 0.644 235 A CB -1.413 17.654 19.000 0.112 0.000 0.805 235 A HN 0.633 nan 8.150 nan 0.000 0.449 236 T N -4.153 110.263 114.554 -0.230 0.000 3.113 236 T HA 0.335 4.656 4.350 -0.049 0.000 0.263 236 T C 1.344 175.965 174.700 -0.132 0.000 1.143 236 T CA 1.224 63.185 62.100 -0.233 0.000 1.090 236 T CB -0.169 68.470 68.868 -0.382 0.000 0.922 236 T HN 1.697 nan 8.240 nan 0.000 0.521 237 G N 1.010 109.754 108.800 -0.093 0.000 2.148 237 G HA2 -0.173 3.757 3.960 -0.049 0.000 0.203 237 G HA3 -0.173 3.757 3.960 -0.049 0.000 0.203 237 G C -0.021 174.847 174.900 -0.053 0.000 0.993 237 G CA -0.448 44.615 45.100 -0.062 0.000 0.661 237 G HN 0.670 nan 8.290 nan 0.000 0.518 238 R N -0.037 120.431 120.500 -0.054 0.000 2.540 238 R HA 0.553 4.864 4.340 -0.049 0.000 0.287 238 R C 0.638 176.939 176.300 0.002 0.000 0.980 238 R CA -0.925 55.154 56.100 -0.035 0.000 0.966 238 R CB 1.188 31.451 30.300 -0.062 0.000 1.106 238 R HN 0.214 nan 8.270 nan 0.000 0.480 239 R N 1.599 122.105 120.500 0.009 0.000 2.421 239 R HA 0.033 4.343 4.340 -0.049 0.000 0.305 239 R C -0.996 175.334 176.300 0.051 0.000 1.039 239 R CA 0.615 56.730 56.100 0.026 0.000 1.003 239 R CB 0.408 30.721 30.300 0.021 0.000 0.959 239 R HN 0.500 nan 8.270 nan 0.000 0.427 240 T N 4.457 119.052 114.554 0.069 0.000 2.786 240 T HA 0.307 4.627 4.350 -0.049 0.000 0.283 240 T C -0.745 174.012 174.700 0.094 0.000 0.992 240 T CA -0.567 61.596 62.100 0.105 0.000 0.954 240 T CB 1.608 70.562 68.868 0.143 0.000 0.934 240 T HN 0.300 nan 8.240 nan 0.000 0.440 241 V N 5.100 125.071 119.914 0.095 0.000 2.384 241 V HA 0.477 4.567 4.120 -0.049 0.000 0.287 241 V C -0.140 176.010 176.094 0.094 0.000 1.020 241 V CA -0.745 61.603 62.300 0.079 0.000 0.850 241 V CB 1.446 33.305 31.823 0.060 0.000 0.987 241 V HN 0.871 nan 8.190 nan 0.000 0.436 242 M N 5.954 125.605 119.600 0.085 0.000 2.149 242 M HA 0.535 4.986 4.480 -0.049 0.000 0.342 242 M C -0.997 175.341 176.300 0.064 0.000 1.068 242 M CA -0.340 55.014 55.300 0.090 0.000 0.991 242 M CB 1.565 34.219 32.600 0.090 0.000 1.596 242 M HN 0.424 nan 8.290 nan 0.000 0.439 243 L N 4.693 125.953 121.223 0.061 0.000 2.264 243 L HA 0.479 4.789 4.340 -0.049 0.000 0.287 243 L C -0.713 176.180 176.870 0.037 0.000 1.039 243 L CA -0.800 54.065 54.840 0.041 0.000 0.829 243 L CB 0.722 42.801 42.059 0.034 0.000 1.211 243 L HN 0.394 nan 8.230 nan 0.000 0.427 244 V N 3.868 123.801 119.914 0.030 0.000 2.427 244 V HA 0.275 4.365 4.120 -0.049 0.000 0.286 244 V C 1.217 177.320 176.094 0.015 0.000 1.034 244 V CA -0.500 61.814 62.300 0.024 0.000 0.893 244 V CB 1.776 33.612 31.823 0.023 0.000 0.982 244 V HN 0.753 nan 8.190 nan 0.000 0.452 245 R N 2.110 122.617 120.500 0.012 0.000 2.073 245 R HA -0.114 4.197 4.340 -0.049 0.000 0.234 245 R C 1.611 177.914 176.300 0.004 0.000 1.134 245 R CA 2.212 58.316 56.100 0.006 0.000 0.952 245 R CB 0.106 30.409 30.300 0.004 0.000 0.850 245 R HN 0.978 nan 8.270 nan 0.000 0.433 246 T N -2.187 112.369 114.554 0.004 0.000 2.281 246 T HA 0.248 4.568 4.350 -0.049 0.000 0.180 246 T C 0.084 174.784 174.700 -0.001 0.000 0.683 246 T CA -0.689 61.411 62.100 0.000 0.000 1.735 246 T CB 0.276 69.144 68.868 -0.001 0.000 3.036 246 T HN -0.106 nan 8.240 nan 0.000 0.399 247 E N 2.319 122.517 120.200 -0.004 0.000 2.256 247 E HA 0.501 4.821 4.350 -0.049 0.000 0.267 247 E C -2.649 173.948 176.600 -0.005 0.000 0.892 247 E CA -2.455 53.941 56.400 -0.007 0.000 0.775 247 E CB 1.921 31.613 29.700 -0.014 0.000 1.207 247 E HN 0.433 nan 8.360 nan 0.000 0.420 248 P HA 0.230 nan 4.420 nan 0.000 0.279 248 P C 0.155 177.447 177.300 -0.014 0.000 1.239 248 P CA -0.288 62.812 63.100 -0.001 0.000 0.789 248 P CB 0.851 32.555 31.700 0.007 0.000 0.933 249 L N 0.291 121.507 121.223 -0.011 0.000 3.678 249 L HA -0.255 4.055 4.340 -0.049 0.000 0.425 249 L C 1.306 178.136 176.870 -0.067 0.000 1.240 249 L CA 0.448 55.269 54.840 -0.032 0.000 0.876 249 L CB -1.669 40.372 42.059 -0.030 0.000 1.766 249 L HN 0.505 nan 8.230 nan 0.000 0.917 250 K N -0.290 120.080 120.400 -0.050 0.000 2.360 250 K HA -0.115 4.175 4.320 -0.049 0.000 0.201 250 K C 1.814 178.359 176.600 -0.090 0.000 1.046 250 K CA 0.831 57.083 56.287 -0.059 0.000 0.945 250 K CB 0.027 32.508 32.500 -0.032 0.000 0.750 250 K HN 0.244 nan 8.250 nan 0.000 0.464 251 L N 1.246 122.410 121.223 -0.098 0.000 2.265 251 L HA -0.049 4.262 4.340 -0.049 0.000 0.215 251 L C 0.642 177.258 176.870 -0.424 0.000 1.117 251 L CA 1.338 56.097 54.840 -0.136 0.000 0.782 251 L CB -0.077 41.970 42.059 -0.020 0.000 0.914 251 L HN 0.099 nan 8.230 nan 0.000 0.441 252 I N 0.017 120.312 120.570 -0.458 0.000 2.260 252 I HA 0.002 4.143 4.170 -0.049 0.000 0.297 252 I C 1.160 177.098 176.117 -0.298 0.000 1.143 252 I CA -0.230 60.718 61.300 -0.587 0.000 1.271 252 I CB 0.336 38.102 38.000 -0.391 0.000 1.461 252 I HN 0.017 nan 8.210 nan 0.000 0.530 253 K N 2.486 122.746 120.400 -0.233 0.000 2.097 253 K HA -0.159 4.131 4.320 -0.049 0.000 0.206 253 K C 0.513 177.030 176.600 -0.138 0.000 1.049 253 K CA 0.986 57.200 56.287 -0.121 0.000 0.933 253 K CB -0.146 32.332 32.500 -0.038 0.000 0.717 253 K HN 0.490 nan 8.250 nan 0.000 0.442 254 D N 0.170 120.434 120.400 -0.227 0.000 2.382 254 D HA 0.016 4.626 4.640 -0.049 0.000 0.259 254 D C 0.287 176.482 176.300 -0.174 0.000 1.224 254 D CA 0.248 54.076 54.000 -0.286 0.000 0.894 254 D CB 0.416 40.837 40.800 -0.632 0.000 1.127 254 D HN 0.121 nan 8.370 nan 0.000 0.487 255 N N 2.763 121.390 118.700 -0.121 0.000 2.043 255 N HA -0.194 4.517 4.740 -0.049 0.000 0.193 255 N C 1.118 176.560 175.510 -0.113 0.000 1.037 255 N CA 0.894 53.886 53.050 -0.097 0.000 0.851 255 N CB 0.079 38.525 38.487 -0.068 0.000 1.027 255 N HN 0.583 nan 8.380 nan 0.000 0.422 256 E N 0.071 120.206 120.200 -0.108 0.000 2.077 256 E HA -0.136 4.185 4.350 -0.049 0.000 0.193 256 E C 1.873 178.256 176.600 -0.362 0.000 0.989 256 E CA 1.199 57.483 56.400 -0.194 0.000 0.800 256 E CB -0.025 29.631 29.700 -0.073 0.000 0.746 256 E HN 0.364 nan 8.360 nan 0.000 0.452 257 T N 0.620 115.070 114.554 -0.173 0.000 2.708 257 T HA -0.177 4.143 4.350 -0.049 0.000 0.266 257 T C 1.861 176.510 174.700 -0.086 0.000 1.037 257 T CA 1.351 63.402 62.100 -0.083 0.000 1.146 257 T CB -0.171 68.759 68.868 0.104 0.000 0.865 257 T HN 0.120 nan 8.240 nan 0.000 0.435 258 R N 0.930 121.370 120.500 -0.100 0.000 2.081 258 R HA -0.034 4.277 4.340 -0.049 0.000 0.235 258 R C 2.555 178.805 176.300 -0.084 0.000 1.131 258 R CA 1.429 57.477 56.100 -0.086 0.000 0.960 258 R CB -0.458 29.781 30.300 -0.102 0.000 0.856 258 R HN 0.364 nan 8.270 nan 0.000 0.436 259 A N -0.200 122.553 122.820 -0.113 0.000 1.933 259 A HA -0.217 4.073 4.320 -0.049 0.000 0.218 259 A C 2.015 179.523 177.584 -0.126 0.000 1.175 259 A CA 1.349 53.318 52.037 -0.113 0.000 0.628 259 A CB -0.859 18.069 19.000 -0.120 0.000 0.814 259 A HN 0.620 nan 8.150 nan 0.000 0.444 260 Y N 0.559 120.678 120.300 -0.302 0.000 2.145 260 Y HA -0.178 4.343 4.550 -0.050 0.000 0.286 260 Y C 2.359 178.150 175.900 -0.182 0.000 1.145 260 Y CA 1.949 59.865 58.100 -0.306 0.000 1.148 260 Y CB -0.295 37.854 38.460 -0.519 0.000 0.981 260 Y HN 0.071 nan 8.280 nan 0.000 0.507 261 V N 0.471 120.352 119.914 -0.055 0.000 2.295 261 V HA -0.338 3.752 4.120 -0.049 0.000 0.246 261 V C 2.434 178.488 176.094 -0.067 0.000 1.049 261 V CA 2.160 64.435 62.300 -0.042 0.000 1.024 261 V CB -0.817 31.031 31.823 0.042 0.000 0.648 261 V HN 0.439 nan 8.190 nan 0.000 0.447 262 L N -0.331 120.853 121.223 -0.066 0.000 2.056 262 L HA -0.169 4.141 4.340 -0.049 0.000 0.207 262 L C 2.375 179.199 176.870 -0.077 0.000 1.078 262 L CA 1.488 56.299 54.840 -0.049 0.000 0.749 262 L CB -0.752 41.280 42.059 -0.046 0.000 0.901 262 L HN 0.323 nan 8.230 nan 0.000 0.433 263 D N -0.095 120.222 120.400 -0.138 0.000 2.117 263 D HA -0.181 4.430 4.640 -0.049 0.000 0.197 263 D C 2.335 178.540 176.300 -0.159 0.000 0.987 263 D CA 1.077 54.985 54.000 -0.153 0.000 0.829 263 D CB -0.058 40.623 40.800 -0.197 0.000 0.961 263 D HN 0.020 nan 8.370 nan 0.000 0.460 264 R N -0.232 120.126 120.500 -0.237 0.000 2.092 264 R HA 0.097 4.408 4.340 -0.049 0.000 0.231 264 R C 2.336 178.629 176.300 -0.012 0.000 1.119 264 R CA 0.727 56.736 56.100 -0.151 0.000 0.970 264 R CB -0.275 29.922 30.300 -0.173 0.000 0.864 264 R HN 0.234 nan 8.270 nan 0.000 0.440 265 M N -0.116 119.505 119.600 0.035 0.000 2.132 265 M HA -0.166 4.284 4.480 -0.049 0.000 0.263 265 M C 1.799 178.130 176.300 0.051 0.000 1.065 265 M CA 1.747 57.113 55.300 0.110 0.000 1.122 265 M CB -0.149 32.512 32.600 0.101 0.000 1.365 265 M HN -0.012 nan 8.290 nan 0.000 0.411 266 K N -0.011 120.393 120.400 0.006 0.000 2.097 266 K HA -0.198 4.092 4.320 -0.049 0.000 0.205 266 K C 1.835 178.422 176.600 -0.022 0.000 1.050 266 K CA 1.310 57.593 56.287 -0.007 0.000 0.938 266 K CB -0.265 32.221 32.500 -0.023 0.000 0.718 266 K HN 0.396 nan 8.250 nan 0.000 0.442 267 E N 0.959 121.136 120.200 -0.040 0.000 2.204 267 E HA -0.190 4.130 4.350 -0.049 0.000 0.195 267 E C 1.595 178.156 176.600 -0.064 0.000 0.990 267 E CA 0.865 57.236 56.400 -0.049 0.000 0.821 267 E CB 0.261 29.936 29.700 -0.043 0.000 0.750 267 E HN 0.164 nan 8.360 nan 0.000 0.477 268 Q N -0.811 118.944 119.800 -0.076 0.000 2.444 268 Q HA 0.057 4.368 4.340 -0.049 0.000 0.206 268 Q C 1.088 177.057 176.000 -0.052 0.000 0.948 268 Q CA 0.915 56.645 55.803 -0.123 0.000 0.946 268 Q CB 1.074 29.656 28.738 -0.259 0.000 1.027 268 Q HN 0.485 nan 8.270 nan 0.000 0.513 269 G N 0.346 109.134 108.800 -0.021 0.000 2.159 269 G HA2 -0.241 3.689 3.960 -0.049 0.000 0.227 269 G HA3 -0.241 3.689 3.960 -0.049 0.000 0.227 269 G C 0.164 175.078 174.900 0.024 0.000 0.986 269 G CA -0.013 45.085 45.100 -0.004 0.000 0.651 269 G HN 0.237 nan 8.290 nan 0.000 0.523 270 M N 0.926 120.554 119.600 0.046 0.000 2.233 270 M HA 0.388 4.838 4.480 -0.049 0.000 0.350 270 M C 0.192 176.517 176.300 0.043 0.000 1.176 270 M CA 0.434 55.772 55.300 0.063 0.000 1.150 270 M CB 0.652 33.309 32.600 0.094 0.000 1.530 270 M HN 0.210 nan 8.290 nan 0.000 0.459 271 E N 3.933 124.160 120.200 0.045 0.000 2.129 271 E HA 0.466 4.786 4.350 -0.049 0.000 0.268 271 E C -1.122 175.501 176.600 0.038 0.000 0.900 271 E CA -0.263 56.157 56.400 0.033 0.000 0.755 271 E CB 1.485 31.203 29.700 0.030 0.000 1.117 271 E HN 0.544 nan 8.360 nan 0.000 0.410 272 I N 4.703 125.290 120.570 0.029 0.000 2.355 272 I HA 0.332 4.472 4.170 -0.049 0.000 0.288 272 I C -0.316 175.813 176.117 0.020 0.000 0.999 272 I CA -0.634 60.683 61.300 0.029 0.000 1.163 272 I CB 0.901 38.916 38.000 0.025 0.000 1.316 272 I HN 0.399 nan 8.210 nan 0.000 0.454 273 I N 6.090 126.674 120.570 0.023 0.000 2.359 273 I HA 0.225 4.366 4.170 -0.049 0.000 0.284 273 I C 0.560 176.686 176.117 0.015 0.000 1.018 273 I CA -0.276 61.034 61.300 0.017 0.000 1.173 273 I CB 1.248 39.259 38.000 0.018 0.000 1.326 273 I HN 0.586 nan 8.210 nan 0.000 0.462 274 S N 3.678 119.383 115.700 0.009 0.000 2.669 274 S HA 0.604 5.044 4.470 -0.049 0.000 0.270 274 S C 1.096 175.699 174.600 0.004 0.000 1.225 274 S CA 0.053 58.257 58.200 0.006 0.000 0.991 274 S CB 1.510 64.711 63.200 0.001 0.000 0.987 274 S HN 1.101 nan 8.310 nan 0.000 0.552 275 G N 0.639 109.441 108.800 0.003 0.000 2.283 275 G HA2 -0.199 3.732 3.960 -0.049 0.000 0.280 275 G HA3 -0.199 3.732 3.960 -0.049 0.000 0.280 275 G C 0.073 174.974 174.900 0.003 0.000 1.029 275 G CA 0.292 45.393 45.100 0.001 0.000 0.840 275 G HN 1.673 nan 8.290 nan 0.000 0.505 276 S N -0.629 115.075 115.700 0.006 0.000 2.501 276 S HA 0.773 5.213 4.470 -0.049 0.000 0.301 276 S C -0.487 174.116 174.600 0.005 0.000 1.096 276 S CA -1.056 57.148 58.200 0.006 0.000 1.063 276 S CB 2.346 65.552 63.200 0.011 0.000 1.042 276 S HN 0.282 nan 8.310 nan 0.000 0.494 277 N N 1.388 120.090 118.700 0.003 0.000 2.410 277 N HA 0.300 5.010 4.740 -0.049 0.000 0.287 277 N C -1.069 174.440 175.510 -0.001 0.000 1.044 277 N CA -0.469 52.581 53.050 0.000 0.000 0.881 277 N CB 2.121 40.607 38.487 -0.002 0.000 1.405 277 N HN 0.483 nan 8.380 nan 0.000 0.490 278 V N 1.827 121.740 119.914 -0.003 0.000 2.585 278 V HA 0.019 4.109 4.120 -0.049 0.000 0.296 278 V C 1.725 177.813 176.094 -0.009 0.000 1.035 278 V CA 0.608 62.905 62.300 -0.006 0.000 1.084 278 V CB 0.740 32.556 31.823 -0.011 0.000 0.953 278 V HN 0.853 nan 8.190 nan 0.000 0.483 279 T N 2.036 116.585 114.554 -0.009 0.000 3.018 279 T HA 0.249 4.569 4.350 -0.049 0.000 0.246 279 T C 0.619 175.312 174.700 -0.013 0.000 1.026 279 T CA -0.110 61.984 62.100 -0.010 0.000 1.081 279 T CB 0.388 69.251 68.868 -0.007 0.000 0.970 279 T HN 0.567 nan 8.240 nan 0.000 0.475 280 R N -0.094 120.398 120.500 -0.013 0.000 2.604 280 R HA 0.582 4.892 4.340 -0.049 0.000 0.261 280 R C -2.183 174.107 176.300 -0.018 0.000 1.080 280 R CA -0.796 55.294 56.100 -0.016 0.000 0.917 280 R CB 1.503 31.794 30.300 -0.014 0.000 1.252 280 R HN 0.250 nan 8.270 nan 0.000 0.456 281 I N 3.258 123.814 120.570 -0.024 0.000 2.354 281 I HA 0.246 4.386 4.170 -0.049 0.000 0.286 281 I C -0.089 176.013 176.117 -0.025 0.000 1.007 281 I CA -0.618 60.666 61.300 -0.027 0.000 1.167 281 I CB 1.845 39.821 38.000 -0.041 0.000 1.320 281 I HN 0.522 nan 8.210 nan 0.000 0.458 282 E N 6.191 126.381 120.200 -0.018 0.000 2.344 282 E HA 0.157 4.477 4.350 -0.049 0.000 0.270 282 E C -0.590 175.997 176.600 -0.021 0.000 1.021 282 E CA -0.055 56.335 56.400 -0.017 0.000 0.887 282 E CB 0.977 30.671 29.700 -0.010 0.000 0.997 282 E HN 0.497 nan 8.360 nan 0.000 0.429 283 E N 2.592 122.778 120.200 -0.023 0.000 2.191 283 E HA 0.087 4.407 4.350 -0.049 0.000 0.274 283 E C -0.741 175.845 176.600 -0.023 0.000 0.948 283 E CA -0.792 55.591 56.400 -0.028 0.000 0.802 283 E CB 1.148 30.829 29.700 -0.032 0.000 1.137 283 E HN 0.453 nan 8.360 nan 0.000 0.397 284 D N 0.929 121.313 120.400 -0.026 0.000 2.451 284 D HA 0.188 4.799 4.640 -0.049 0.000 0.259 284 D C 0.758 177.044 176.300 -0.023 0.000 1.201 284 D CA -0.577 53.410 54.000 -0.022 0.000 1.028 284 D CB 0.493 41.279 40.800 -0.023 0.000 1.095 284 D HN 0.356 nan 8.370 nan 0.000 0.539 285 A N -0.211 122.597 122.820 -0.019 0.000 2.131 285 A HA -0.194 4.096 4.320 -0.049 0.000 0.220 285 A C 1.326 178.898 177.584 -0.021 0.000 1.158 285 A CA 1.063 53.090 52.037 -0.017 0.000 0.665 285 A CB -0.744 18.247 19.000 -0.014 0.000 0.795 285 A HN 0.527 nan 8.150 nan 0.000 0.460 286 N N -0.904 117.780 118.700 -0.027 0.000 2.270 286 N HA 0.181 4.891 4.740 -0.049 0.000 0.198 286 N C 1.050 176.537 175.510 -0.038 0.000 1.117 286 N CA 0.894 53.925 53.050 -0.031 0.000 0.845 286 N CB 0.427 38.891 38.487 -0.038 0.000 0.980 286 N HN 0.594 nan 8.380 nan 0.000 0.486 287 G N 1.160 109.938 108.800 -0.037 0.000 2.143 287 G HA2 -0.305 3.625 3.960 -0.049 0.000 0.248 287 G HA3 -0.305 3.625 3.960 -0.049 0.000 0.248 287 G C 0.188 175.054 174.900 -0.057 0.000 0.991 287 G CA 0.089 45.164 45.100 -0.042 0.000 0.689 287 G HN 0.331 nan 8.290 nan 0.000 0.522 288 R N -0.448 120.015 120.500 -0.062 0.000 2.540 288 R HA 0.651 4.961 4.340 -0.049 0.000 0.287 288 R C 0.577 176.844 176.300 -0.056 0.000 0.980 288 R CA -0.558 55.494 56.100 -0.080 0.000 0.966 288 R CB 1.272 31.510 30.300 -0.104 0.000 1.106 288 R HN 0.188 nan 8.270 nan 0.000 0.480 289 V N 4.905 124.791 119.914 -0.048 0.000 2.673 289 V HA 0.000 4.090 4.120 -0.049 0.000 0.303 289 V C 0.989 177.082 176.094 -0.002 0.000 1.046 289 V CA 0.681 62.968 62.300 -0.021 0.000 1.126 289 V CB 1.154 32.975 31.823 -0.004 0.000 0.934 289 V HN 0.932 nan 8.190 nan 0.000 0.487 290 Q N 3.782 123.581 119.800 -0.001 0.000 2.210 290 Q HA 0.648 4.959 4.340 -0.049 0.000 0.252 290 Q C 0.200 176.208 176.000 0.014 0.000 0.811 290 Q CA 0.430 56.237 55.803 0.007 0.000 0.953 290 Q CB 1.202 29.939 28.738 -0.002 0.000 1.136 290 Q HN 0.805 nan 8.270 nan 0.000 0.491 291 A N 0.182 123.007 122.820 0.009 0.000 2.567 291 A HA 0.611 4.901 4.320 -0.049 0.000 0.291 291 A C -1.699 175.888 177.584 0.005 0.000 1.048 291 A CA -0.560 51.484 52.037 0.011 0.000 0.661 291 A CB 1.598 20.603 19.000 0.008 0.000 1.288 291 A HN 0.058 nan 8.150 nan 0.000 0.424 292 V N 0.579 120.498 119.914 0.008 0.000 2.604 292 V HA 0.645 4.736 4.120 -0.049 0.000 0.305 292 V C -0.567 175.529 176.094 0.004 0.000 1.043 292 V CA -0.602 61.700 62.300 0.003 0.000 0.888 292 V CB 1.693 33.520 31.823 0.007 0.000 0.995 292 V HN 0.824 nan 8.190 nan 0.000 0.429 293 V N 3.438 123.352 119.914 -0.001 0.000 2.495 293 V HA 0.940 5.030 4.120 -0.049 0.000 0.298 293 V C 0.165 176.258 176.094 -0.001 0.000 1.031 293 V CA -0.257 62.043 62.300 -0.000 0.000 0.871 293 V CB 1.565 33.386 31.823 -0.003 0.000 0.988 293 V HN 1.087 nan 8.190 nan 0.000 0.432 294 A N 4.736 127.557 122.820 0.002 0.000 2.556 294 A HA 0.930 5.220 4.320 -0.049 0.000 0.294 294 A C -1.045 176.540 177.584 0.001 0.000 1.091 294 A CA -0.754 51.284 52.037 0.002 0.000 0.704 294 A CB 1.869 20.873 19.000 0.005 0.000 1.300 294 A HN 0.773 nan 8.150 nan 0.000 0.406 295 M N 2.019 121.619 119.600 0.000 0.000 2.209 295 M HA 0.578 5.029 4.480 -0.049 0.000 0.355 295 M C 0.260 176.561 176.300 0.001 0.000 1.171 295 M CA 0.125 55.425 55.300 -0.000 0.000 1.069 295 M CB 0.906 33.505 32.600 -0.002 0.000 1.622 295 M HN 1.012 nan 8.290 nan 0.000 0.459 296 T N 2.173 116.728 114.554 0.001 0.000 2.888 296 T HA 0.691 5.012 4.350 -0.049 0.000 0.288 296 T C -2.390 172.311 174.700 0.000 0.000 1.063 296 T CA -1.637 60.464 62.100 0.002 0.000 1.010 296 T CB 1.245 70.115 68.868 0.003 0.000 1.214 296 T HN 0.467 nan 8.240 nan 0.000 0.533 297 P HA 0.014 nan 4.420 nan 0.000 0.218 297 P C 0.957 178.256 177.300 -0.002 0.000 1.148 297 P CA 0.801 63.900 63.100 -0.002 0.000 0.822 297 P CB 0.034 31.733 31.700 -0.002 0.000 0.784 298 N N -0.701 117.998 118.700 -0.001 0.000 2.314 298 N HA 0.166 4.876 4.740 -0.049 0.000 0.200 298 N C 0.980 176.489 175.510 -0.001 0.000 1.135 298 N CA 0.887 53.936 53.050 -0.002 0.000 0.835 298 N CB 0.449 38.935 38.487 -0.002 0.000 0.989 298 N HN 0.124 nan 8.380 nan 0.000 0.478 299 G N 0.973 109.772 108.800 -0.001 0.000 2.483 299 G HA2 -0.189 3.742 3.960 -0.049 0.000 0.521 299 G HA3 -0.189 3.742 3.960 -0.049 0.000 0.521 299 G C -1.029 173.871 174.900 -0.000 0.000 1.278 299 G CA -0.825 44.274 45.100 -0.001 0.000 0.965 299 G HN 0.242 nan 8.290 nan 0.000 0.504 300 E N -0.152 120.048 120.200 -0.000 0.000 2.313 300 E HA 0.581 4.902 4.350 -0.049 0.000 0.276 300 E C 0.718 177.318 176.600 0.001 0.000 1.031 300 E CA -0.299 56.102 56.400 0.000 0.000 0.857 300 E CB 0.400 30.100 29.700 -0.001 0.000 1.040 300 E HN 0.772 nan 8.360 nan 0.000 0.408 301 M N 2.715 122.317 119.600 0.003 0.000 2.619 301 M HA 0.561 5.012 4.480 -0.049 0.000 0.297 301 M C -1.006 175.297 176.300 0.005 0.000 1.229 301 M CA -1.053 54.249 55.300 0.004 0.000 0.860 301 M CB 2.324 34.928 32.600 0.006 0.000 1.741 301 M HN 0.311 nan 8.290 nan 0.000 0.462 302 R N 1.921 122.425 120.500 0.006 0.000 2.532 302 R HA 0.752 5.063 4.340 -0.049 0.000 0.297 302 R C -2.172 174.135 176.300 0.011 0.000 0.984 302 R CA -0.426 55.678 56.100 0.007 0.000 0.884 302 R CB 1.553 31.856 30.300 0.005 0.000 1.182 302 R HN 0.960 nan 8.270 nan 0.000 0.442 303 I N 3.827 124.405 120.570 0.014 0.000 2.382 303 I HA 0.239 4.379 4.170 -0.049 0.000 0.286 303 I C -0.148 175.983 176.117 0.023 0.000 1.002 303 I CA -0.768 60.544 61.300 0.020 0.000 1.135 303 I CB 2.035 40.051 38.000 0.026 0.000 1.288 303 I HN 0.521 nan 8.210 nan 0.000 0.448 304 E N 4.313 124.526 120.200 0.023 0.000 2.344 304 E HA 0.374 4.695 4.350 -0.049 0.000 0.270 304 E C -0.223 176.400 176.600 0.038 0.000 1.021 304 E CA 0.092 56.508 56.400 0.025 0.000 0.887 304 E CB 1.359 31.072 29.700 0.021 0.000 0.997 304 E HN 0.512 nan 8.360 nan 0.000 0.429 305 T N 1.012 115.595 114.554 0.048 0.000 2.831 305 T HA 0.091 4.412 4.350 -0.049 0.000 0.333 305 T C -1.445 173.312 174.700 0.095 0.000 1.684 305 T CA -0.755 61.391 62.100 0.077 0.000 1.049 305 T CB 1.103 70.022 68.868 0.086 0.000 1.518 305 T HN 0.583 nan 8.240 nan 0.000 0.491 306 D N 1.340 121.833 120.400 0.155 0.000 2.513 306 D HA 0.238 4.848 4.640 -0.049 0.000 0.222 306 D C -0.231 176.294 176.300 0.374 0.000 1.210 306 D CA -0.115 53.997 54.000 0.186 0.000 0.825 306 D CB 0.092 40.986 40.800 0.158 0.000 1.037 306 D HN 0.252 nan 8.370 nan 0.000 0.506 307 F N 0.993 121.027 119.950 0.140 0.000 2.585 307 F HA 0.494 4.991 4.527 -0.050 0.000 0.319 307 F C -1.820 174.044 175.800 0.106 0.000 1.165 307 F CA -0.891 57.213 58.000 0.174 0.000 0.949 307 F CB 1.880 40.918 39.000 0.063 0.000 1.218 307 F HN -0.240 nan 8.300 nan 0.000 0.453 308 V N 6.949 126.657 119.914 -0.344 0.000 2.531 308 V HA 0.423 4.514 4.120 -0.049 0.000 0.301 308 V C -1.239 174.659 176.094 -0.328 0.000 1.034 308 V CA -0.874 61.272 62.300 -0.256 0.000 0.865 308 V CB 1.853 33.605 31.823 -0.119 0.000 0.995 308 V HN 0.617 nan 8.190 nan 0.000 0.424 309 F N 5.697 125.464 119.950 -0.304 0.000 2.449 309 F HA 0.677 5.174 4.527 -0.050 0.000 0.342 309 F C -0.534 175.258 175.800 -0.013 0.000 1.127 309 F CA -0.649 57.277 58.000 -0.124 0.000 0.975 309 F CB 1.186 40.243 39.000 0.096 0.000 1.146 309 F HN 0.328 nan 8.300 nan 0.000 0.444 310 L N 6.181 127.031 121.223 -0.621 0.000 2.265 310 L HA 0.455 4.766 4.340 -0.049 0.000 0.288 310 L C 0.711 177.275 176.870 -0.510 0.000 1.058 310 L CA -0.548 54.053 54.840 -0.398 0.000 0.809 310 L CB 1.200 43.082 42.059 -0.294 0.000 1.179 310 L HN 0.916 nan 8.230 nan 0.000 0.429 311 G N 5.151 113.874 108.800 -0.127 0.000 4.873 311 G HA2 0.476 4.406 3.960 -0.049 0.000 0.314 311 G HA3 0.476 4.406 3.960 -0.049 0.000 0.314 311 G C -0.025 174.874 174.900 -0.002 0.000 1.426 311 G CA -0.322 44.780 45.100 0.004 0.000 1.136 311 G HN 0.349 nan 8.290 nan 0.000 0.589 312 L N 0.268 121.467 121.223 -0.041 0.000 2.469 312 L HA 0.647 4.957 4.340 -0.049 0.000 0.253 312 L C 1.317 178.181 176.870 -0.011 0.000 1.143 312 L CA -1.004 53.824 54.840 -0.020 0.000 0.804 312 L CB 0.637 42.677 42.059 -0.031 0.000 1.214 312 L HN 0.257 nan 8.230 nan 0.000 0.476 313 G N -0.146 108.650 108.800 -0.006 0.000 2.527 313 G HA2 0.220 4.150 3.960 -0.049 0.000 0.248 313 G HA3 0.220 4.150 3.960 -0.049 0.000 0.248 313 G C -0.391 174.512 174.900 0.004 0.000 1.231 313 G CA -0.480 44.617 45.100 -0.005 0.000 0.838 313 G HN 0.604 nan 8.290 nan 0.000 0.570 314 E N -0.142 120.063 120.200 0.008 0.000 2.349 314 E HA 0.177 4.497 4.350 -0.049 0.000 0.262 314 E C -0.015 176.596 176.600 0.019 0.000 1.088 314 E CA -0.090 56.329 56.400 0.031 0.000 0.899 314 E CB 1.131 30.857 29.700 0.042 0.000 1.044 314 E HN 0.654 nan 8.360 nan 0.000 0.420 315 Q N 0.681 120.495 119.800 0.023 0.000 2.330 315 Q HA 0.478 4.788 4.340 -0.049 0.000 0.269 315 Q C -2.740 173.268 176.000 0.013 0.000 1.022 315 Q CA -2.485 53.325 55.803 0.012 0.000 0.796 315 Q CB 1.382 30.124 28.738 0.006 0.000 1.271 315 Q HN 0.043 nan 8.270 nan 0.000 0.450 316 P HA -0.107 nan 4.420 nan 0.000 0.261 316 P C -0.736 176.566 177.300 0.002 0.000 1.173 316 P CA 0.300 63.404 63.100 0.006 0.000 0.760 316 P CB 0.398 32.099 31.700 0.002 0.000 0.783 317 R N 2.156 122.657 120.500 0.001 0.000 3.701 317 R HA 0.093 4.404 4.340 -0.049 0.000 0.210 317 R C 0.883 177.177 176.300 -0.010 0.000 1.598 317 R CA 0.123 56.218 56.100 -0.008 0.000 1.427 317 R CB -0.383 29.907 30.300 -0.017 0.000 1.339 317 R HN 0.542 nan 8.270 nan 0.000 0.720 318 S N -0.711 114.985 115.700 -0.008 0.000 2.497 318 S HA 0.063 4.503 4.470 -0.049 0.000 0.218 318 S C 2.024 176.619 174.600 -0.010 0.000 1.023 318 S CA 0.191 58.386 58.200 -0.008 0.000 0.913 318 S CB 0.467 63.663 63.200 -0.006 0.000 0.800 318 S HN 0.429 nan 8.310 nan 0.000 0.505 319 A N 2.573 125.386 122.820 -0.010 0.000 1.863 319 A HA -0.271 4.020 4.320 -0.049 0.000 0.218 319 A C 2.093 179.670 177.584 -0.011 0.000 1.233 319 A CA 2.260 54.291 52.037 -0.010 0.000 0.655 319 A CB -1.293 17.700 19.000 -0.011 0.000 0.839 319 A HN 0.580 nan 8.150 nan 0.000 0.454 320 E N -0.591 119.601 120.200 -0.013 0.000 2.058 320 E HA -0.150 4.171 4.350 -0.049 0.000 0.194 320 E C 2.046 178.639 176.600 -0.011 0.000 0.997 320 E CA 1.387 57.780 56.400 -0.012 0.000 0.801 320 E CB -0.270 29.420 29.700 -0.016 0.000 0.746 320 E HN 0.621 nan 8.360 nan 0.000 0.450 321 L N 0.043 121.259 121.223 -0.012 0.000 2.046 321 L HA -0.176 4.134 4.340 -0.049 0.000 0.208 321 L C 2.483 179.347 176.870 -0.010 0.000 1.077 321 L CA 0.980 55.814 54.840 -0.011 0.000 0.747 321 L CB -0.452 41.600 42.059 -0.012 0.000 0.896 321 L HN 0.182 nan 8.230 nan 0.000 0.432 322 A N -0.100 122.715 122.820 -0.009 0.000 1.972 322 A HA -0.247 4.044 4.320 -0.049 0.000 0.219 322 A C 2.399 179.979 177.584 -0.007 0.000 1.169 322 A CA 1.929 53.961 52.037 -0.009 0.000 0.635 322 A CB -0.365 18.630 19.000 -0.009 0.000 0.810 322 A HN 0.344 nan 8.150 nan 0.000 0.446 323 K N -0.340 120.056 120.400 -0.006 0.000 2.044 323 K HA 0.019 4.309 4.320 -0.049 0.000 0.204 323 K C 1.833 178.431 176.600 -0.003 0.000 1.049 323 K CA 1.229 57.514 56.287 -0.004 0.000 0.945 323 K CB -0.270 32.227 32.500 -0.004 0.000 0.724 323 K HN 0.462 nan 8.250 nan 0.000 0.440 324 I N 1.118 121.686 120.570 -0.003 0.000 2.179 324 I HA -0.291 3.849 4.170 -0.049 0.000 0.242 324 I C 2.027 178.144 176.117 0.001 0.000 1.088 324 I CA 1.304 62.604 61.300 0.000 0.000 1.357 324 I CB -0.088 37.912 38.000 0.000 0.000 1.051 324 I HN 0.195 nan 8.210 nan 0.000 0.409 325 L N -0.149 121.072 121.223 -0.003 0.000 2.416 325 L HA 0.236 4.547 4.340 -0.049 0.000 0.216 325 L C 1.201 178.068 176.870 -0.006 0.000 1.098 325 L CA 0.461 55.298 54.840 -0.005 0.000 0.840 325 L CB -0.160 41.891 42.059 -0.013 0.000 0.981 325 L HN 0.451 nan 8.230 nan 0.000 0.462 326 G N 1.524 110.320 108.800 -0.006 0.000 2.341 326 G HA2 -0.230 3.700 3.960 -0.049 0.000 0.278 326 G HA3 -0.230 3.700 3.960 -0.049 0.000 0.278 326 G C -0.233 174.661 174.900 -0.010 0.000 1.111 326 G CA -0.363 44.733 45.100 -0.006 0.000 0.982 326 G HN 0.150 nan 8.290 nan 0.000 0.502 327 L N 0.271 121.487 121.223 -0.012 0.000 2.326 327 L HA 0.428 4.739 4.340 -0.049 0.000 0.278 327 L C 0.096 176.958 176.870 -0.013 0.000 1.092 327 L CA -1.041 53.790 54.840 -0.016 0.000 0.810 327 L CB 0.765 42.814 42.059 -0.016 0.000 1.153 327 L HN 0.040 nan 8.230 nan 0.000 0.439 328 D N 3.477 123.868 120.400 -0.015 0.000 2.351 328 D HA 0.423 5.033 4.640 -0.049 0.000 0.251 328 D C -0.177 176.115 176.300 -0.012 0.000 1.137 328 D CA 0.161 54.153 54.000 -0.013 0.000 0.879 328 D CB 1.143 41.935 40.800 -0.013 0.000 1.181 328 D HN 0.228 nan 8.370 nan 0.000 0.448 329 L N 1.072 122.289 121.223 -0.010 0.000 2.322 329 L HA 0.628 4.938 4.340 -0.049 0.000 0.269 329 L C 1.240 178.104 176.870 -0.009 0.000 1.012 329 L CA -1.013 53.822 54.840 -0.009 0.000 0.815 329 L CB 1.711 43.765 42.059 -0.008 0.000 1.295 329 L HN 0.325 nan 8.230 nan 0.000 0.438 330 G N 0.049 108.844 108.800 -0.008 0.000 2.537 330 G HA2 0.372 4.303 3.960 -0.049 0.000 0.297 330 G HA3 0.372 4.303 3.960 -0.049 0.000 0.297 330 G C -2.061 172.834 174.900 -0.007 0.000 1.310 330 G CA -0.982 44.114 45.100 -0.008 0.000 1.027 330 G HN 0.432 nan 8.290 nan 0.000 0.505 331 P HA -0.058 nan 4.420 nan 0.000 0.216 331 P C 1.121 178.417 177.300 -0.005 0.000 1.150 331 P CA 1.361 64.457 63.100 -0.006 0.000 0.843 331 P CB 0.219 31.916 31.700 -0.006 0.000 0.787 332 K N -1.733 118.664 120.400 -0.005 0.000 2.498 332 K HA 0.347 4.637 4.320 -0.049 0.000 0.207 332 K C 0.873 177.470 176.600 -0.005 0.000 1.033 332 K CA 0.495 56.779 56.287 -0.005 0.000 1.138 332 K CB -0.044 32.454 32.500 -0.004 0.000 0.860 332 K HN 0.106 nan 8.250 nan 0.000 0.490 333 G N 2.483 111.280 108.800 -0.005 0.000 2.179 333 G HA2 -0.278 3.652 3.960 -0.049 0.000 0.260 333 G HA3 -0.278 3.652 3.960 -0.049 0.000 0.260 333 G C -0.051 174.846 174.900 -0.005 0.000 0.977 333 G CA 0.319 45.416 45.100 -0.005 0.000 0.641 333 G HN 0.497 nan 8.290 nan 0.000 0.533 334 E N 1.032 121.229 120.200 -0.005 0.000 2.373 334 E HA 0.403 4.723 4.350 -0.049 0.000 0.267 334 E C 0.217 176.814 176.600 -0.005 0.000 1.032 334 E CA -0.501 55.896 56.400 -0.005 0.000 0.889 334 E CB 1.744 31.440 29.700 -0.006 0.000 0.984 334 E HN 0.286 nan 8.360 nan 0.000 0.425 335 V N 4.254 124.166 119.914 -0.003 0.000 2.508 335 V HA 0.044 4.134 4.120 -0.049 0.000 0.281 335 V C 0.739 176.829 176.094 -0.006 0.000 1.041 335 V CA -0.269 62.028 62.300 -0.005 0.000 1.016 335 V CB 0.230 32.053 31.823 -0.001 0.000 0.984 335 V HN 0.520 nan 8.190 nan 0.000 0.478 336 L N 6.537 127.753 121.223 -0.011 0.000 2.380 336 L HA 0.579 4.890 4.340 -0.049 0.000 0.273 336 L C -0.043 176.817 176.870 -0.017 0.000 1.138 336 L CA -0.116 54.715 54.840 -0.014 0.000 0.832 336 L CB 1.123 43.173 42.059 -0.016 0.000 1.124 336 L HN 0.632 nan 8.230 nan 0.000 0.454 337 V N -0.622 119.282 119.914 -0.017 0.000 3.114 337 V HA 0.585 4.675 4.120 -0.049 0.000 0.308 337 V C -0.615 175.464 176.094 -0.025 0.000 1.168 337 V CA -1.125 61.165 62.300 -0.016 0.000 1.015 337 V CB 1.882 33.710 31.823 0.008 0.000 1.050 337 V HN 0.832 nan 8.190 nan 0.000 0.433 338 N N 0.921 119.607 118.700 -0.023 0.000 2.431 338 N HA 0.228 4.938 4.740 -0.049 0.000 0.289 338 N C 0.824 176.264 175.510 -0.118 0.000 1.277 338 N CA -0.062 52.956 53.050 -0.053 0.000 0.972 338 N CB -0.061 38.425 38.487 -0.002 0.000 1.143 338 N HN 0.901 nan 8.380 nan 0.000 0.578 339 E N -1.633 118.391 120.200 -0.294 0.000 2.401 339 E HA -0.203 4.117 4.350 -0.049 0.000 0.199 339 E C -0.025 176.332 176.600 -0.405 0.000 1.023 339 E CA 1.122 57.276 56.400 -0.409 0.000 0.859 339 E CB -0.588 28.776 29.700 -0.559 0.000 0.780 339 E HN 0.660 nan 8.360 nan 0.000 0.523 340 Y N 0.281 120.644 120.300 0.105 0.000 2.555 340 Y HA 0.253 4.773 4.550 -0.050 0.000 0.259 340 Y C 0.445 176.488 175.900 0.238 0.000 1.179 340 Y CA -0.612 57.594 58.100 0.176 0.000 1.230 340 Y CB 0.649 39.204 38.460 0.158 0.000 1.146 340 Y HN -0.114 nan 8.280 nan 0.000 0.526 341 L N -0.839 120.524 121.223 0.233 0.000 4.560 341 L HA -0.317 3.993 4.340 -0.049 0.000 0.415 341 L C -0.166 176.790 176.870 0.144 0.000 1.123 341 L CA 0.758 55.739 54.840 0.234 0.000 0.991 341 L CB -2.519 39.748 42.059 0.347 0.000 2.127 341 L HN 0.430 nan 8.230 nan 0.000 0.765 342 Q N 0.352 120.135 119.800 -0.029 0.000 2.261 342 Q HA 0.462 4.773 4.340 -0.049 0.000 0.252 342 Q C 1.180 177.079 176.000 -0.167 0.000 0.915 342 Q CA 0.452 56.051 55.803 -0.339 0.000 0.915 342 Q CB 1.489 30.023 28.738 -0.340 0.000 1.204 342 Q HN 0.437 nan 8.270 nan 0.000 0.421 343 T N -1.935 112.508 114.554 -0.184 0.000 2.793 343 T HA 0.086 4.407 4.350 -0.049 0.000 0.299 343 T C 1.344 175.992 174.700 -0.087 0.000 1.038 343 T CA -0.084 61.958 62.100 -0.096 0.000 0.948 343 T CB 0.649 69.472 68.868 -0.074 0.000 1.231 343 T HN 0.621 nan 8.240 nan 0.000 0.538 344 S N -1.137 114.529 115.700 -0.056 0.000 2.522 344 S HA 0.109 4.549 4.470 -0.049 0.000 0.227 344 S C 0.639 175.212 174.600 -0.044 0.000 0.986 344 S CA -0.307 57.867 58.200 -0.042 0.000 0.929 344 S CB -0.506 62.678 63.200 -0.027 0.000 0.769 344 S HN 0.560 nan 8.310 nan 0.000 0.529 345 V N 4.767 124.647 119.914 -0.057 0.000 2.439 345 V HA 0.396 4.486 4.120 -0.049 0.000 0.282 345 V C -2.195 173.854 176.094 -0.075 0.000 1.039 345 V CA -2.359 59.910 62.300 -0.050 0.000 0.913 345 V CB 1.191 32.987 31.823 -0.044 0.000 0.983 345 V HN 0.251 nan 8.190 nan 0.000 0.460 346 P HA 0.085 nan 4.420 nan 0.000 0.267 346 P C 0.084 177.344 177.300 -0.065 0.000 1.205 346 P CA 0.306 63.379 63.100 -0.045 0.000 0.765 346 P CB 0.349 32.055 31.700 0.010 0.000 0.828 347 N N -0.573 118.078 118.700 -0.081 0.000 2.878 347 N HA -0.106 4.605 4.740 -0.049 0.000 0.247 347 N C -0.683 174.793 175.510 -0.056 0.000 1.021 347 N CA 0.701 53.723 53.050 -0.047 0.000 0.873 347 N CB -1.459 36.959 38.487 -0.115 0.000 1.128 347 N HN 0.256 nan 8.380 nan 0.000 0.571 348 V N 1.755 121.591 119.914 -0.130 0.000 2.407 348 V HA 0.454 4.545 4.120 -0.049 0.000 0.291 348 V C -0.177 175.836 176.094 -0.134 0.000 1.018 348 V CA -0.608 61.648 62.300 -0.073 0.000 0.842 348 V CB 1.087 32.861 31.823 -0.081 0.000 0.996 348 V HN 0.033 nan 8.190 nan 0.000 0.426 349 Y N 2.285 122.542 120.300 -0.072 0.000 2.534 349 Y HA 0.842 5.361 4.550 -0.050 0.000 0.329 349 Y C 0.433 176.312 175.900 -0.035 0.000 1.154 349 Y CA -0.863 57.214 58.100 -0.038 0.000 1.192 349 Y CB 1.977 40.413 38.460 -0.041 0.000 1.275 349 Y HN 0.691 nan 8.280 nan 0.000 0.491 350 A N 1.198 124.108 122.820 0.150 0.000 2.422 350 A HA 0.869 5.159 4.320 -0.049 0.000 0.302 350 A C -1.229 176.421 177.584 0.109 0.000 1.041 350 A CA -0.548 51.544 52.037 0.091 0.000 0.708 350 A CB 1.010 20.037 19.000 0.045 0.000 1.257 350 A HN 0.871 nan 8.150 nan 0.000 0.414 351 V N -0.867 119.104 119.914 0.094 0.000 3.182 351 V HA 1.009 5.100 4.120 -0.049 0.000 0.308 351 V C 0.667 176.798 176.094 0.063 0.000 1.240 351 V CA -0.014 62.343 62.300 0.094 0.000 1.063 351 V CB 0.730 32.627 31.823 0.122 0.000 1.076 351 V HN 2.864 nan 8.190 nan 0.000 0.446 352 G N 0.841 109.665 108.800 0.041 0.000 2.569 352 G HA2 -0.230 3.700 3.960 -0.049 0.000 0.259 352 G HA3 -0.230 3.700 3.960 -0.049 0.000 0.259 352 G C 0.113 175.008 174.900 -0.008 0.000 1.263 352 G CA 0.791 45.896 45.100 0.008 0.000 0.928 352 G HN 1.082 nan 8.290 nan 0.000 0.572 353 D N -0.093 120.303 120.400 -0.007 0.000 2.310 353 D HA 0.015 4.625 4.640 -0.049 0.000 0.212 353 D C 2.433 178.734 176.300 0.002 0.000 0.965 353 D CA 0.976 54.970 54.000 -0.010 0.000 0.879 353 D CB -0.047 40.755 40.800 0.004 0.000 0.921 353 D HN 0.354 nan 8.370 nan 0.000 0.510 354 L N 0.860 122.090 121.223 0.013 0.000 2.201 354 L HA -0.035 4.275 4.340 -0.049 0.000 0.212 354 L C 1.697 178.572 176.870 0.008 0.000 1.105 354 L CA 1.221 56.069 54.840 0.014 0.000 0.775 354 L CB -0.274 41.798 42.059 0.022 0.000 0.913 354 L HN 0.125 nan 8.230 nan 0.000 0.440 355 I N -3.416 117.159 120.570 0.008 0.000 3.904 355 I HA 0.555 4.695 4.170 -0.049 0.000 0.333 355 I C 0.922 177.033 176.117 -0.009 0.000 1.361 355 I CA 0.134 61.436 61.300 0.003 0.000 1.116 355 I CB -0.710 37.298 38.000 0.014 0.000 1.028 355 I HN 0.214 nan 8.210 nan 0.000 0.398 356 G N 0.910 109.703 108.800 -0.013 0.000 2.548 356 G HA2 -0.027 3.903 3.960 -0.049 0.000 0.208 356 G HA3 -0.027 3.903 3.960 -0.049 0.000 0.208 356 G C -0.053 174.827 174.900 -0.034 0.000 1.308 356 G CA -0.566 44.523 45.100 -0.019 0.000 0.924 356 G HN 0.684 nan 8.290 nan 0.000 0.540 357 G N 0.521 109.304 108.800 -0.028 0.000 2.537 357 G HA2 0.715 4.646 3.960 -0.049 0.000 0.273 357 G HA3 0.715 4.646 3.960 -0.049 0.000 0.273 357 G C -1.615 173.260 174.900 -0.041 0.000 1.189 357 G CA -0.061 45.018 45.100 -0.035 0.000 0.881 357 G HN 0.772 nan 8.290 nan 0.000 0.535 358 P HA 0.167 nan 4.420 nan 0.000 0.276 358 P C -0.390 176.794 177.300 -0.192 0.000 1.235 358 P CA -0.071 62.968 63.100 -0.102 0.000 0.772 358 P CB 0.980 32.594 31.700 -0.144 0.000 0.871 359 M N 3.171 122.690 119.600 -0.134 0.000 2.974 359 M HA 0.177 4.628 4.480 -0.049 0.000 0.301 359 M C 0.212 176.405 176.300 -0.178 0.000 1.409 359 M CA 0.335 55.551 55.300 -0.140 0.000 1.515 359 M CB 0.073 32.628 32.600 -0.075 0.000 1.163 359 M HN 0.234 nan 8.290 nan 0.000 0.520 360 E N 1.292 121.297 120.200 -0.325 0.000 2.369 360 E HA 0.367 4.688 4.350 -0.049 0.000 0.270 360 E C 0.422 176.792 176.600 -0.383 0.000 0.909 360 E CA -0.652 55.545 56.400 -0.340 0.000 0.775 360 E CB 1.624 31.028 29.700 -0.494 0.000 1.270 360 E HN 0.434 nan 8.360 nan 0.000 0.445 361 M N 0.487 119.973 119.600 -0.189 0.000 2.159 361 M HA -0.085 4.365 4.480 -0.049 0.000 0.263 361 M C 2.058 178.225 176.300 -0.221 0.000 1.063 361 M CA 1.508 56.717 55.300 -0.151 0.000 1.110 361 M CB -1.004 31.573 32.600 -0.038 0.000 1.374 361 M HN 0.572 nan 8.290 nan 0.000 0.411 362 F N 0.501 120.388 119.950 -0.106 0.000 2.171 362 F HA -0.084 4.414 4.527 -0.049 0.000 0.300 362 F C 2.170 177.910 175.800 -0.099 0.000 1.090 362 F CA 1.194 59.123 58.000 -0.119 0.000 1.293 362 F CB -1.014 37.939 39.000 -0.078 0.000 1.013 362 F HN -0.053 nan 8.300 nan 0.000 0.486 363 K N 1.617 121.389 120.400 -1.046 0.000 2.025 363 K HA -0.004 4.286 4.320 -0.049 0.000 0.207 363 K C 2.295 178.759 176.600 -0.227 0.000 1.049 363 K CA 1.352 57.319 56.287 -0.535 0.000 0.933 363 K CB -0.839 31.235 32.500 -0.709 0.000 0.714 363 K HN 0.391 nan 8.250 nan 0.000 0.438 364 A N 1.506 124.172 122.820 -0.257 0.000 1.858 364 A HA -0.179 4.112 4.320 -0.049 0.000 0.216 364 A C 2.299 179.814 177.584 -0.114 0.000 1.190 364 A CA 1.735 53.692 52.037 -0.132 0.000 0.617 364 A CB -0.493 18.441 19.000 -0.111 0.000 0.827 364 A HN 0.364 nan 8.150 nan 0.000 0.443 365 R N -0.289 120.083 120.500 -0.213 0.000 2.073 365 R HA -0.107 4.204 4.340 -0.049 0.000 0.234 365 R C 2.308 178.529 176.300 -0.133 0.000 1.134 365 R CA 1.771 57.697 56.100 -0.289 0.000 0.952 365 R CB -0.293 29.539 30.300 -0.780 0.000 0.850 365 R HN 0.515 nan 8.270 nan 0.000 0.433 366 K N 0.314 120.618 120.400 -0.160 0.000 2.057 366 K HA -0.099 4.191 4.320 -0.049 0.000 0.206 366 K C 2.342 178.782 176.600 -0.267 0.000 1.050 366 K CA 1.736 57.909 56.287 -0.189 0.000 0.935 366 K CB -0.139 32.159 32.500 -0.336 0.000 0.715 366 K HN 0.195 nan 8.250 nan 0.000 0.439 367 S N 0.550 116.066 115.700 -0.307 0.000 2.382 367 S HA -0.115 4.326 4.470 -0.049 0.000 0.228 367 S C 2.259 176.888 174.600 0.049 0.000 1.027 367 S CA 1.177 59.309 58.200 -0.113 0.000 0.991 367 S CB -0.855 62.397 63.200 0.086 0.000 0.823 367 S HN 0.383 nan 8.310 nan 0.000 0.469 368 G N 0.590 109.428 108.800 0.063 0.000 2.418 368 G HA2 -0.188 3.743 3.960 -0.049 0.000 0.217 368 G HA3 -0.188 3.743 3.960 -0.049 0.000 0.217 368 G C 1.556 176.542 174.900 0.142 0.000 1.158 368 G CA 1.044 46.236 45.100 0.153 0.000 0.771 368 G HN 0.640 nan 8.290 nan 0.000 0.545 369 C N -0.591 118.748 119.300 0.064 0.000 2.440 369 C HA 0.058 4.489 4.460 -0.049 0.000 0.278 369 C C 2.459 177.303 174.990 -0.244 0.000 1.295 369 C CA 0.303 59.242 59.018 -0.132 0.000 1.738 369 C CB -1.121 26.422 27.740 -0.328 0.000 1.987 369 C HN 0.513 nan 8.230 nan 0.000 0.492 370 Y N 1.558 121.711 120.300 -0.244 0.000 2.242 370 Y HA -0.060 4.460 4.550 -0.050 0.000 0.291 370 Y C 2.641 178.505 175.900 -0.061 0.000 1.137 370 Y CA 1.319 59.325 58.100 -0.157 0.000 1.181 370 Y CB -0.898 37.493 38.460 -0.115 0.000 0.989 370 Y HN 0.267 nan 8.280 nan 0.000 0.527 371 A N 0.003 122.885 122.820 0.104 0.000 1.902 371 A HA -0.123 4.167 4.320 -0.049 0.000 0.217 371 A C 2.459 179.890 177.584 -0.256 0.000 1.181 371 A CA 1.746 53.746 52.037 -0.062 0.000 0.623 371 A CB -1.195 17.778 19.000 -0.045 0.000 0.818 371 A HN 0.387 nan 8.150 nan 0.000 0.443 372 A N -0.057 122.712 122.820 -0.086 0.000 1.902 372 A HA -0.177 4.114 4.320 -0.049 0.000 0.217 372 A C 2.239 179.802 177.584 -0.036 0.000 1.181 372 A CA 1.589 53.614 52.037 -0.020 0.000 0.623 372 A CB -0.459 18.641 19.000 0.166 0.000 0.818 372 A HN 0.564 nan 8.150 nan 0.000 0.443 373 R N -0.513 119.951 120.500 -0.061 0.000 2.092 373 R HA -0.113 4.197 4.340 -0.049 0.000 0.231 373 R C 1.955 178.246 176.300 -0.014 0.000 1.119 373 R CA 1.642 57.721 56.100 -0.035 0.000 0.970 373 R CB -0.419 29.795 30.300 -0.143 0.000 0.864 373 R HN 0.621 nan 8.270 nan 0.000 0.440 374 N N -0.077 118.615 118.700 -0.014 0.000 2.142 374 N HA -0.115 4.596 4.740 -0.049 0.000 0.186 374 N C 1.649 177.153 175.510 -0.010 0.000 1.023 374 N CA 0.901 53.974 53.050 0.040 0.000 0.852 374 N CB -0.027 38.574 38.487 0.190 0.000 0.998 374 N HN -0.070 nan 8.380 nan 0.000 0.424 375 V N 0.744 120.558 119.914 -0.168 0.000 2.490 375 V HA -0.154 3.936 4.120 -0.049 0.000 0.250 375 V C 1.570 177.648 176.094 -0.028 0.000 1.061 375 V CA 1.194 63.407 62.300 -0.144 0.000 1.064 375 V CB -0.330 31.329 31.823 -0.273 0.000 0.670 375 V HN 0.425 nan 8.190 nan 0.000 0.461 376 M N -0.426 119.167 119.600 -0.011 0.000 2.568 376 M HA 0.254 4.705 4.480 -0.049 0.000 0.226 376 M C 1.650 177.964 176.300 0.022 0.000 1.148 376 M CA 0.930 56.242 55.300 0.019 0.000 1.007 376 M CB -0.765 31.859 32.600 0.039 0.000 1.651 376 M HN 0.523 nan 8.290 nan 0.000 0.488 377 G N 0.765 109.578 108.800 0.021 0.000 2.175 377 G HA2 -0.247 3.684 3.960 -0.049 0.000 0.244 377 G HA3 -0.247 3.684 3.960 -0.049 0.000 0.244 377 G C 0.164 175.073 174.900 0.015 0.000 0.982 377 G CA 0.149 45.260 45.100 0.019 0.000 0.641 377 G HN 0.521 nan 8.290 nan 0.000 0.527 378 E N 0.987 121.199 120.200 0.020 0.000 1.963 378 E HA 0.368 4.688 4.350 -0.049 0.000 0.274 378 E C 0.460 177.079 176.600 0.031 0.000 1.061 378 E CA -0.599 55.815 56.400 0.024 0.000 0.847 378 E CB 0.070 29.786 29.700 0.026 0.000 1.083 378 E HN 0.296 nan 8.360 nan 0.000 0.402 379 K N 5.549 125.958 120.400 0.015 0.000 2.351 379 K HA 0.122 4.412 4.320 -0.049 0.000 0.287 379 K C -0.672 176.001 176.600 0.122 0.000 1.068 379 K CA 0.150 56.436 56.287 -0.001 0.000 0.998 379 K CB 0.193 32.629 32.500 -0.106 0.000 0.968 379 K HN 0.555 nan 8.250 nan 0.000 0.464 380 I N 3.060 123.782 120.570 0.252 0.000 2.619 380 I HA 0.223 4.363 4.170 -0.049 0.000 0.292 380 I C -0.789 175.649 176.117 0.535 0.000 1.100 380 I CA -0.423 61.084 61.300 0.345 0.000 1.043 380 I CB 2.025 40.154 38.000 0.214 0.000 1.239 380 I HN 0.706 nan 8.210 nan 0.000 0.420 381 S N 5.994 121.952 115.700 0.429 0.000 2.617 381 S HA 0.576 5.016 4.470 -0.049 0.000 0.283 381 S C -1.045 173.685 174.600 0.216 0.000 1.189 381 S CA -0.411 57.915 58.200 0.210 0.000 1.036 381 S CB 1.673 64.851 63.200 -0.036 0.000 1.014 381 S HN 0.602 nan 8.310 nan 0.000 0.522 382 Y N 1.282 121.512 120.300 -0.117 0.000 2.361 382 Y HA 0.525 5.046 4.550 -0.049 0.000 0.328 382 Y C -0.967 174.818 175.900 -0.192 0.000 1.044 382 Y CA -0.551 57.368 58.100 -0.302 0.000 1.085 382 Y CB 1.862 39.938 38.460 -0.640 0.000 1.194 382 Y HN 1.038 nan 8.280 nan 0.000 0.438 383 T N 5.570 119.723 114.554 -0.669 0.000 3.078 383 T HA 0.436 4.756 4.350 -0.049 0.000 0.328 383 T C -3.179 171.191 174.700 -0.550 0.000 0.987 383 T CA -1.678 60.092 62.100 -0.550 0.000 1.049 383 T CB 1.363 70.082 68.868 -0.249 0.000 1.011 383 T HN 0.489 nan 8.240 nan 0.000 0.463 384 P HA 0.334 nan 4.420 nan 0.000 0.267 384 P C -0.755 176.629 177.300 0.140 0.000 1.209 384 P CA -0.067 62.929 63.100 -0.173 0.000 0.763 384 P CB 0.521 32.175 31.700 -0.077 0.000 0.816 385 K N 1.167 121.706 120.400 0.233 0.000 2.610 385 K HA 0.293 4.584 4.320 -0.049 0.000 0.278 385 K C -0.689 175.910 176.600 -0.002 0.000 0.964 385 K CA -0.959 55.391 56.287 0.106 0.000 0.859 385 K CB 0.551 33.054 32.500 0.005 0.000 1.434 385 K HN 0.137 nan 8.250 nan 0.000 0.410 386 N N 0.603 119.164 118.700 -0.231 0.000 2.727 386 N HA -0.194 4.516 4.740 -0.049 0.000 0.251 386 N C -1.384 174.029 175.510 -0.162 0.000 1.040 386 N CA 1.482 54.406 53.050 -0.209 0.000 0.712 386 N CB -1.568 36.866 38.487 -0.089 0.000 0.912 386 N HN 0.637 nan 8.380 nan 0.000 0.545 387 Y N -1.331 118.935 120.300 -0.057 0.000 2.528 387 Y HA 0.870 5.391 4.550 -0.049 0.000 0.335 387 Y C -2.230 173.606 175.900 -0.106 0.000 1.093 387 Y CA -2.676 55.322 58.100 -0.169 0.000 1.134 387 Y CB 0.336 38.581 38.460 -0.358 0.000 1.253 387 Y HN -0.098 nan 8.280 nan 0.000 0.478 388 P HA 0.318 nan 4.420 nan 0.000 0.276 388 P C -1.182 176.197 177.300 0.131 0.000 1.261 388 P CA 0.094 63.245 63.100 0.086 0.000 0.800 388 P CB 1.721 33.466 31.700 0.075 0.000 1.066 389 D N -1.359 119.008 120.400 -0.055 0.000 2.615 389 D HA 0.640 5.251 4.640 -0.049 0.000 0.267 389 D C -1.511 174.403 176.300 -0.643 0.000 1.236 389 D CA -0.263 53.628 54.000 -0.181 0.000 0.839 389 D CB 1.600 42.399 40.800 -0.002 0.000 1.380 389 D HN 0.357 nan 8.370 nan 0.000 0.433 390 F N 0.003 119.598 119.950 -0.592 0.000 2.773 390 F HA 0.762 5.259 4.527 -0.050 0.000 0.314 390 F C -2.352 173.359 175.800 -0.149 0.000 1.160 390 F CA -1.055 56.621 58.000 -0.540 0.000 0.920 390 F CB 0.562 39.333 39.000 -0.381 0.000 1.323 390 F HN 0.340 nan 8.300 nan 0.000 0.457 391 L N -0.491 120.650 121.223 -0.137 0.000 2.775 391 L HA 0.645 4.955 4.340 -0.049 0.000 0.263 391 L C -1.961 174.938 176.870 0.048 0.000 1.017 391 L CA -0.787 53.964 54.840 -0.147 0.000 0.891 391 L CB 1.839 43.912 42.059 0.023 0.000 1.482 391 L HN 0.813 nan 8.230 nan 0.000 0.410 392 H N 0.006 119.188 119.070 0.187 0.000 2.492 392 H HA 0.779 5.305 4.556 -0.050 0.000 0.345 392 H C -0.491 174.897 175.328 0.099 0.000 1.136 392 H CA 0.267 56.428 56.048 0.189 0.000 1.202 392 H CB 2.280 32.154 29.762 0.188 0.000 1.524 392 H HN 1.021 nan 8.280 nan 0.000 0.506 393 T N -1.514 113.184 114.554 0.242 0.000 1.559 393 T HA 0.102 4.422 4.350 -0.049 0.000 0.177 393 T C 0.984 175.684 174.700 0.001 0.000 0.688 393 T CA -0.346 61.805 62.100 0.086 0.000 1.094 393 T CB 0.641 69.612 68.868 0.172 0.000 3.358 393 T HN 0.610 nan 8.240 nan 0.000 0.413 394 H N -0.482 118.682 119.070 0.157 0.000 2.592 394 H HA 0.374 4.901 4.556 -0.049 0.000 0.265 394 H C -0.296 175.067 175.328 0.058 0.000 0.955 394 H CA 0.182 56.262 56.048 0.053 0.000 1.175 394 H CB 0.317 30.029 29.762 -0.083 0.000 1.433 394 H HN 0.372 nan 8.280 nan 0.000 0.537 395 Y N 0.899 121.357 120.300 0.263 0.000 2.621 395 Y HA 0.275 4.796 4.550 -0.050 0.000 0.334 395 Y C 0.386 176.363 175.900 0.130 0.000 1.074 395 Y CA -1.025 57.112 58.100 0.061 0.000 1.149 395 Y CB 1.443 39.861 38.460 -0.069 0.000 1.302 395 Y HN -0.137 nan 8.280 nan 0.000 0.501 396 E N 0.837 121.145 120.200 0.179 0.000 2.174 396 E HA 0.476 4.797 4.350 -0.049 0.000 0.282 396 E C -1.462 175.201 176.600 0.105 0.000 0.992 396 E CA -0.540 55.946 56.400 0.144 0.000 0.803 396 E CB 1.536 31.314 29.700 0.131 0.000 1.090 396 E HN 0.210 nan 8.360 nan 0.000 0.396 397 V N 2.955 122.939 119.914 0.116 0.000 2.407 397 V HA 0.299 4.389 4.120 -0.049 0.000 0.291 397 V C -0.443 175.705 176.094 0.090 0.000 1.018 397 V CA -0.626 61.777 62.300 0.172 0.000 0.842 397 V CB 1.613 33.602 31.823 0.277 0.000 0.996 397 V HN 0.589 nan 8.190 nan 0.000 0.426 398 S N 5.383 121.041 115.700 -0.070 0.000 2.503 398 S HA 0.941 5.381 4.470 -0.049 0.000 0.301 398 S C -0.795 173.647 174.600 -0.263 0.000 1.087 398 S CA -0.531 57.338 58.200 -0.551 0.000 1.042 398 S CB 1.467 63.874 63.200 -1.321 0.000 1.043 398 S HN 0.653 nan 8.310 nan 0.000 0.489 399 F N 0.684 120.618 119.950 -0.027 0.000 2.678 399 F HA 0.849 5.346 4.527 -0.049 0.000 0.308 399 F C -1.486 174.479 175.800 0.275 0.000 1.118 399 F CA -1.459 56.685 58.000 0.240 0.000 0.959 399 F CB 0.821 39.985 39.000 0.274 0.000 1.305 399 F HN 0.492 nan 8.300 nan 0.000 0.443 400 L N 0.130 121.548 121.223 0.324 0.000 2.582 400 L HA 1.045 5.355 4.340 -0.049 0.000 0.257 400 L C 0.017 176.892 176.870 0.009 0.000 0.974 400 L CA -0.048 54.877 54.840 0.141 0.000 0.851 400 L CB 1.456 43.552 42.059 0.062 0.000 1.424 400 L HN 1.854 nan 8.230 nan 0.000 0.412 401 G N 0.864 109.662 108.800 -0.004 0.000 2.552 401 G HA2 -0.181 3.750 3.960 -0.049 0.000 0.265 401 G HA3 -0.181 3.750 3.960 -0.049 0.000 0.265 401 G C -0.266 174.666 174.900 0.054 0.000 1.234 401 G CA 0.210 45.296 45.100 -0.023 0.000 0.944 401 G HN 0.935 nan 8.290 nan 0.000 0.568 402 M N 1.273 120.904 119.600 0.051 0.000 2.314 402 M HA 0.547 4.997 4.480 -0.049 0.000 0.342 402 M C 1.123 177.559 176.300 0.228 0.000 1.171 402 M CA 0.126 55.486 55.300 0.100 0.000 1.098 402 M CB 1.430 34.046 32.600 0.026 0.000 1.559 402 M HN 0.944 nan 8.290 nan 0.000 0.459 403 G N 0.305 109.185 108.800 0.133 0.000 2.562 403 G HA2 0.143 4.074 3.960 -0.049 0.000 0.275 403 G HA3 0.143 4.074 3.960 -0.049 0.000 0.275 403 G C 0.419 175.323 174.900 0.006 0.000 1.196 403 G CA -0.353 44.742 45.100 -0.008 0.000 0.908 403 G HN 0.958 nan 8.290 nan 0.000 0.524 404 E N -0.251 119.926 120.200 -0.038 0.000 2.038 404 E HA -0.180 4.140 4.350 -0.049 0.000 0.195 404 E C 2.103 178.707 176.600 0.006 0.000 1.000 404 E CA 1.760 58.159 56.400 -0.001 0.000 0.803 404 E CB 0.011 29.711 29.700 -0.000 0.000 0.750 404 E HN 0.567 nan 8.360 nan 0.000 0.448 405 E N 0.779 120.974 120.200 -0.008 0.000 2.051 405 E HA -0.220 4.100 4.350 -0.049 0.000 0.192 405 E C 1.911 178.518 176.600 0.013 0.000 0.991 405 E CA 1.428 57.828 56.400 -0.000 0.000 0.799 405 E CB -0.243 29.450 29.700 -0.013 0.000 0.748 405 E HN 0.406 nan 8.360 nan 0.000 0.449 406 E N 0.488 120.695 120.200 0.011 0.000 2.097 406 E HA -0.266 4.055 4.350 -0.049 0.000 0.196 406 E C 1.941 178.578 176.600 0.061 0.000 1.000 406 E CA 1.282 57.698 56.400 0.027 0.000 0.804 406 E CB -0.132 29.582 29.700 0.023 0.000 0.740 406 E HN 0.257 nan 8.360 nan 0.000 0.454 407 A N 1.306 124.166 122.820 0.068 0.000 1.898 407 A HA -0.142 4.149 4.320 -0.049 0.000 0.216 407 A C 2.215 179.899 177.584 0.167 0.000 1.181 407 A CA 1.344 53.456 52.037 0.126 0.000 0.620 407 A CB -0.420 18.600 19.000 0.034 0.000 0.819 407 A HN 0.185 nan 8.150 nan 0.000 0.442 408 R N -0.558 119.995 120.500 0.089 0.000 2.081 408 R HA -0.091 4.219 4.340 -0.049 0.000 0.235 408 R C 2.477 178.803 176.300 0.042 0.000 1.131 408 R CA 1.223 57.362 56.100 0.066 0.000 0.960 408 R CB -0.542 29.781 30.300 0.038 0.000 0.856 408 R HN 0.509 nan 8.270 nan 0.000 0.436 409 A N 1.349 124.189 122.820 0.035 0.000 1.978 409 A HA -0.101 4.189 4.320 -0.049 0.000 0.220 409 A C 2.232 179.821 177.584 0.008 0.000 1.170 409 A CA 1.693 53.739 52.037 0.016 0.000 0.636 409 A CB -0.432 18.576 19.000 0.013 0.000 0.810 409 A HN 0.394 nan 8.150 nan 0.000 0.448 410 A N -1.911 120.928 122.820 0.032 0.000 2.235 410 A HA 0.391 4.681 4.320 -0.049 0.000 0.208 410 A C 1.743 179.251 177.584 -0.127 0.000 1.172 410 A CA 1.279 53.314 52.037 -0.004 0.000 0.786 410 A CB -0.907 18.149 19.000 0.093 0.000 0.804 410 A HN 1.918 nan 8.150 nan 0.000 0.479 411 G N -1.520 107.222 108.800 -0.097 0.000 2.144 411 G HA2 -0.172 3.758 3.960 -0.049 0.000 0.218 411 G HA3 -0.172 3.758 3.960 -0.049 0.000 0.218 411 G C -0.096 174.686 174.900 -0.196 0.000 0.988 411 G CA 0.074 45.085 45.100 -0.147 0.000 0.659 411 G HN 0.653 nan 8.290 nan 0.000 0.522 412 H N 0.616 119.683 119.070 -0.004 0.000 2.527 412 H HA 0.398 4.925 4.556 -0.049 0.000 0.321 412 H C 0.172 175.498 175.328 -0.003 0.000 1.087 412 H CA -0.180 55.865 56.048 -0.004 0.000 1.337 412 H CB 1.523 31.282 29.762 -0.004 0.000 1.440 412 H HN 0.483 nan 8.280 nan 0.000 0.490 413 E N 4.439 124.707 120.200 0.113 0.000 2.223 413 E HA 0.303 4.624 4.350 -0.049 0.000 0.282 413 E C -0.393 176.246 176.600 0.065 0.000 1.046 413 E CA -0.444 55.994 56.400 0.063 0.000 0.857 413 E CB 0.356 30.079 29.700 0.038 0.000 1.055 413 E HN 0.565 nan 8.360 nan 0.000 0.409 414 I N 1.443 122.041 120.570 0.047 0.000 3.042 414 I HA 0.685 4.825 4.170 -0.049 0.000 0.310 414 I C -0.862 175.264 176.117 0.014 0.000 1.117 414 I CA -1.191 60.124 61.300 0.026 0.000 1.003 414 I CB 1.950 39.963 38.000 0.020 0.000 1.228 414 I HN 0.279 nan 8.210 nan 0.000 0.443 415 V N 0.089 120.005 119.914 0.003 0.000 3.040 415 V HA 0.919 5.009 4.120 -0.049 0.000 0.312 415 V C -0.204 175.887 176.094 -0.005 0.000 1.115 415 V CA -0.158 62.143 62.300 0.002 0.000 0.998 415 V CB 1.408 33.231 31.823 -0.000 0.000 1.042 415 V HN 1.060 nan 8.190 nan 0.000 0.433 416 T N -0.094 114.460 114.554 -0.000 0.000 2.906 416 T HA 0.817 5.137 4.350 -0.049 0.000 0.295 416 T C -0.826 173.872 174.700 -0.004 0.000 1.061 416 T CA -0.638 61.459 62.100 -0.005 0.000 1.000 416 T CB 1.850 70.725 68.868 0.011 0.000 1.103 416 T HN 0.785 nan 8.240 nan 0.000 0.486 417 I N 2.435 122.997 120.570 -0.012 0.000 2.439 417 I HA 0.504 4.644 4.170 -0.049 0.000 0.285 417 I C -0.247 175.876 176.117 0.011 0.000 1.021 417 I CA -0.841 60.464 61.300 0.008 0.000 1.091 417 I CB 1.719 39.731 38.000 0.020 0.000 1.242 417 I HN 0.848 nan 8.210 nan 0.000 0.439 418 K N 5.284 125.682 120.400 -0.003 0.000 2.469 418 K HA 0.894 5.185 4.320 -0.049 0.000 0.268 418 K C -1.481 175.079 176.600 -0.068 0.000 1.027 418 K CA -1.093 55.148 56.287 -0.075 0.000 0.893 418 K CB 2.669 35.062 32.500 -0.177 0.000 1.460 418 K HN 0.320 nan 8.250 nan 0.000 0.449 419 M N 1.502 120.997 119.600 -0.175 0.000 2.322 419 M HA 0.396 4.847 4.480 -0.049 0.000 0.285 419 M C -2.855 173.330 176.300 -0.192 0.000 1.119 419 M CA -1.936 53.311 55.300 -0.087 0.000 0.953 419 M CB 2.433 35.060 32.600 0.044 0.000 1.701 419 M HN 0.567 nan 8.290 nan 0.000 0.479 420 P HA 0.426 nan 4.420 nan 0.000 0.276 420 P C -2.862 174.463 177.300 0.042 0.000 1.261 420 P CA -1.011 62.108 63.100 0.032 0.000 0.800 420 P CB -0.198 31.548 31.700 0.077 0.000 1.066 421 P HA 0.137 nan 4.420 nan 0.000 0.274 421 P C -0.539 176.798 177.300 0.061 0.000 1.256 421 P CA -0.042 63.084 63.100 0.043 0.000 0.795 421 P CB 0.497 32.215 31.700 0.031 0.000 1.038 422 D N 0.960 121.394 120.400 0.057 0.000 2.374 422 D HA 0.222 4.832 4.640 -0.049 0.000 0.240 422 D C 0.573 176.898 176.300 0.041 0.000 1.229 422 D CA 0.599 54.633 54.000 0.057 0.000 0.895 422 D CB 0.252 41.083 40.800 0.053 0.000 1.046 422 D HN 0.406 nan 8.370 nan 0.000 0.498 423 T N -1.702 112.877 114.554 0.041 0.000 2.812 423 T HA 0.255 4.575 4.350 -0.049 0.000 0.294 423 T C 1.096 175.813 174.700 0.028 0.000 1.159 423 T CA -0.851 61.267 62.100 0.030 0.000 1.008 423 T CB 1.536 70.421 68.868 0.028 0.000 1.289 423 T HN 0.251 nan 8.240 nan 0.000 0.514 424 E N 0.624 120.836 120.200 0.021 0.000 2.401 424 E HA -0.125 4.195 4.350 -0.049 0.000 0.199 424 E C 0.995 177.606 176.600 0.018 0.000 1.023 424 E CA 0.715 57.125 56.400 0.016 0.000 0.859 424 E CB -0.334 29.373 29.700 0.011 0.000 0.780 424 E HN 0.475 nan 8.360 nan 0.000 0.523 425 N N 0.932 119.646 118.700 0.023 0.000 2.422 425 N HA 0.031 4.741 4.740 -0.049 0.000 0.181 425 N C 1.186 176.718 175.510 0.038 0.000 1.080 425 N CA 0.885 53.950 53.050 0.026 0.000 0.893 425 N CB 0.439 38.943 38.487 0.028 0.000 0.973 425 N HN 0.368 nan 8.380 nan 0.000 0.456 426 G N 1.860 110.687 108.800 0.044 0.000 2.634 426 G HA2 -0.342 3.588 3.960 -0.049 0.000 0.309 426 G HA3 -0.342 3.588 3.960 -0.049 0.000 0.309 426 G C 0.852 175.807 174.900 0.091 0.000 1.265 426 G CA 0.505 45.642 45.100 0.062 0.000 0.998 426 G HN 0.285 nan 8.290 nan 0.000 0.551 427 L N 1.497 122.790 121.223 0.116 0.000 2.376 427 L HA 0.060 4.370 4.340 -0.049 0.000 0.219 427 L C 1.475 178.450 176.870 0.175 0.000 1.133 427 L CA 0.600 55.546 54.840 0.176 0.000 0.816 427 L CB -0.409 41.802 42.059 0.254 0.000 0.933 427 L HN 0.389 nan 8.230 nan 0.000 0.449 428 N N 1.590 120.365 118.700 0.125 0.000 2.926 428 N HA 0.060 4.770 4.740 -0.049 0.000 0.284 428 N C -0.272 175.291 175.510 0.088 0.000 1.303 428 N CA 0.237 53.357 53.050 0.118 0.000 1.062 428 N CB 0.019 38.546 38.487 0.066 0.000 1.389 428 N HN 0.173 nan 8.380 nan 0.000 0.538 429 V N -4.181 115.787 119.914 0.091 0.000 3.040 429 V HA 0.691 4.781 4.120 -0.049 0.000 0.312 429 V C 0.743 176.867 176.094 0.050 0.000 1.115 429 V CA -1.225 61.108 62.300 0.054 0.000 0.998 429 V CB 1.558 33.409 31.823 0.046 0.000 1.042 429 V HN -0.018 nan 8.190 nan 0.000 0.433 430 A N 2.089 124.909 122.820 0.001 0.000 2.236 430 A HA 0.529 4.820 4.320 -0.049 0.000 0.214 430 A C 0.057 177.662 177.584 0.036 0.000 1.287 430 A CA 0.710 52.733 52.037 -0.025 0.000 0.909 430 A CB -1.159 17.738 19.000 -0.172 0.000 0.839 430 A HN 0.801 nan 8.150 nan 0.000 0.486 431 L N -0.474 120.788 121.223 0.064 0.000 2.424 431 L HA 0.529 4.839 4.340 -0.049 0.000 0.258 431 L C -2.414 174.512 176.870 0.094 0.000 0.995 431 L CA -2.028 52.865 54.840 0.089 0.000 0.821 431 L CB 2.476 44.567 42.059 0.055 0.000 1.383 431 L HN -0.069 nan 8.230 nan 0.000 0.410 432 P HA 0.484 nan 4.420 nan 0.000 0.275 432 P C -1.635 175.810 177.300 0.241 0.000 1.266 432 P CA -0.379 62.855 63.100 0.223 0.000 0.793 432 P CB 1.295 33.110 31.700 0.192 0.000 1.074 433 A N 0.055 123.085 122.820 0.350 0.000 2.594 433 A HA 0.668 4.958 4.320 -0.049 0.000 0.296 433 A C -0.638 177.068 177.584 0.204 0.000 1.061 433 A CA -0.059 52.127 52.037 0.247 0.000 0.689 433 A CB 0.740 19.868 19.000 0.213 0.000 1.280 433 A HN 0.799 nan 8.150 nan 0.000 0.406 434 S N 0.197 115.983 115.700 0.144 0.000 2.655 434 S HA 0.416 4.856 4.470 -0.049 0.000 0.273 434 S C -1.624 173.022 174.600 0.077 0.000 1.177 434 S CA -0.842 57.393 58.200 0.059 0.000 0.918 434 S CB 0.047 63.266 63.200 0.033 0.000 1.217 434 S HN 0.733 nan 8.310 nan 0.000 0.492 435 D N 1.934 122.358 120.400 0.041 0.000 2.662 435 D HA 0.144 4.754 4.640 -0.049 0.000 0.233 435 D C 0.551 176.915 176.300 0.107 0.000 1.129 435 D CA 0.726 54.752 54.000 0.043 0.000 0.851 435 D CB -0.014 40.799 40.800 0.022 0.000 1.152 435 D HN 0.578 nan 8.370 nan 0.000 0.507 436 R N 0.579 121.115 120.500 0.061 0.000 3.728 436 R HA -0.155 4.155 4.340 -0.049 0.000 0.478 436 R C 1.060 177.473 176.300 0.189 0.000 0.932 436 R CA 1.534 57.659 56.100 0.043 0.000 1.317 436 R CB -2.745 27.524 30.300 -0.051 0.000 1.987 436 R HN 0.648 nan 8.270 nan 0.000 0.509 437 T N -4.061 110.641 114.554 0.246 0.000 3.111 437 T HA 0.288 4.608 4.350 -0.049 0.000 0.284 437 T C 1.515 176.368 174.700 0.255 0.000 0.983 437 T CA -0.383 61.939 62.100 0.370 0.000 0.900 437 T CB 0.148 69.285 68.868 0.448 0.000 1.132 437 T HN -0.152 nan 8.240 nan 0.000 0.531 438 M N 1.325 121.004 119.600 0.132 0.000 2.132 438 M HA 0.230 4.680 4.480 -0.049 0.000 0.263 438 M C 2.068 178.449 176.300 0.135 0.000 1.065 438 M CA 1.105 56.487 55.300 0.136 0.000 1.122 438 M CB -1.329 31.273 32.600 0.003 0.000 1.365 438 M HN 0.319 nan 8.290 nan 0.000 0.411 439 L N -1.462 119.723 121.223 -0.062 0.000 2.046 439 L HA -0.247 4.063 4.340 -0.049 0.000 0.208 439 L C 2.508 179.486 176.870 0.179 0.000 1.077 439 L CA 1.530 56.255 54.840 -0.192 0.000 0.747 439 L CB -0.849 40.809 42.059 -0.668 0.000 0.896 439 L HN 0.231 nan 8.230 nan 0.000 0.432 440 Y N -0.477 120.027 120.300 0.340 0.000 2.181 440 Y HA -0.269 4.251 4.550 -0.050 0.000 0.288 440 Y C 2.685 178.742 175.900 0.261 0.000 1.146 440 Y CA 0.531 58.839 58.100 0.347 0.000 1.164 440 Y CB -0.357 38.262 38.460 0.264 0.000 0.982 440 Y HN 0.188 nan 8.280 nan 0.000 0.515 441 A N -0.351 122.713 122.820 0.407 0.000 1.933 441 A HA -0.167 4.123 4.320 -0.049 0.000 0.218 441 A C 1.659 179.336 177.584 0.156 0.000 1.175 441 A CA 1.533 53.734 52.037 0.274 0.000 0.628 441 A CB -0.860 18.317 19.000 0.296 0.000 0.814 441 A HN 0.471 nan 8.150 nan 0.000 0.444 442 F N -0.225 119.813 119.950 0.147 0.000 2.714 442 F HA 0.271 4.768 4.527 -0.049 0.000 0.294 442 F C 1.773 177.675 175.800 0.171 0.000 1.120 442 F CA -0.184 57.889 58.000 0.122 0.000 1.398 442 F CB -0.310 38.726 39.000 0.061 0.000 1.120 442 F HN 0.207 nan 8.300 nan 0.000 0.589 443 G N 0.702 109.748 108.800 0.410 0.000 2.594 443 G HA2 0.052 3.982 3.960 -0.049 0.000 0.243 443 G HA3 0.052 3.982 3.960 -0.049 0.000 0.243 443 G C -0.328 174.739 174.900 0.279 0.000 1.229 443 G CA -0.536 44.833 45.100 0.448 0.000 0.843 443 G HN 0.046 nan 8.290 nan 0.000 0.578 444 K N 0.487 121.028 120.400 0.235 0.000 2.349 444 K HA 0.392 4.683 4.320 -0.049 0.000 0.289 444 K C 1.180 177.847 176.600 0.111 0.000 1.064 444 K CA 0.637 57.011 56.287 0.145 0.000 0.947 444 K CB 0.066 32.637 32.500 0.118 0.000 1.007 444 K HN 1.045 nan 8.250 nan 0.000 0.478 445 G N 2.883 111.750 108.800 0.111 0.000 2.148 445 G HA2 -0.298 3.632 3.960 -0.049 0.000 0.254 445 G HA3 -0.298 3.632 3.960 -0.049 0.000 0.254 445 G C 0.511 175.522 174.900 0.186 0.000 0.981 445 G CA 0.903 46.075 45.100 0.120 0.000 0.670 445 G HN 0.744 nan 8.290 nan 0.000 0.528 446 T N -3.530 111.118 114.554 0.156 0.000 3.044 446 T HA 0.628 4.948 4.350 -0.049 0.000 0.260 446 T C 2.279 177.008 174.700 0.047 0.000 1.019 446 T CA 1.268 63.408 62.100 0.066 0.000 0.921 446 T CB 0.475 69.424 68.868 0.135 0.000 1.053 446 T HN 1.302 nan 8.240 nan 0.000 0.533 447 A N 3.233 126.148 122.820 0.159 0.000 1.986 447 A HA -0.232 4.058 4.320 -0.049 0.000 0.220 447 A C 2.249 179.915 177.584 0.137 0.000 1.171 447 A CA 1.884 54.011 52.037 0.150 0.000 0.640 447 A CB -1.203 17.872 19.000 0.126 0.000 0.811 447 A HN 0.903 nan 8.150 nan 0.000 0.451 448 H N -1.571 117.563 119.070 0.107 0.000 2.521 448 H HA 0.072 4.598 4.556 -0.049 0.000 0.286 448 H C 1.459 176.891 175.328 0.173 0.000 1.034 448 H CA 1.314 57.439 56.048 0.129 0.000 1.278 448 H CB -0.561 29.248 29.762 0.079 0.000 1.386 448 H HN 0.540 nan 8.280 nan 0.000 0.567 449 M N 1.420 120.780 119.600 -0.399 0.000 2.561 449 M HA 0.010 4.460 4.480 -0.049 0.000 0.238 449 M C 1.922 178.246 176.300 0.040 0.000 1.131 449 M CA 0.527 55.655 55.300 -0.288 0.000 1.046 449 M CB 0.281 32.448 32.600 -0.722 0.000 1.532 449 M HN 0.303 nan 8.290 nan 0.000 0.497 450 S N -0.312 115.487 115.700 0.166 0.000 2.555 450 S HA 0.275 4.715 4.470 -0.049 0.000 0.230 450 S C 0.975 175.687 174.600 0.186 0.000 0.978 450 S CA 0.428 58.794 58.200 0.276 0.000 0.934 450 S CB -0.295 63.052 63.200 0.244 0.000 0.766 450 S HN 0.610 nan 8.310 nan 0.000 0.533 451 G N -0.048 108.795 108.800 0.071 0.000 2.354 451 G HA2 0.282 4.212 3.960 -0.049 0.000 0.582 451 G HA3 0.282 4.212 3.960 -0.049 0.000 0.582 451 G C -1.426 173.211 174.900 -0.437 0.000 1.316 451 G CA -0.570 44.413 45.100 -0.195 0.000 0.995 451 G HN 0.783 nan 8.290 nan 0.000 0.573 452 F N 0.854 120.356 119.950 -0.748 0.000 2.635 452 F HA 0.742 5.239 4.527 -0.050 0.000 0.314 452 F C -0.691 174.886 175.800 -0.372 0.000 1.119 452 F CA -0.058 57.540 58.000 -0.671 0.000 1.000 452 F CB 1.957 40.270 39.000 -1.145 0.000 1.278 452 F HN 1.054 nan 8.300 nan 0.000 0.446 453 Q N 4.868 124.139 119.800 -0.881 0.000 2.472 453 Q HA 0.543 4.853 4.340 -0.049 0.000 0.281 453 Q C -2.241 173.562 176.000 -0.328 0.000 0.997 453 Q CA -1.234 54.374 55.803 -0.325 0.000 0.828 453 Q CB 3.168 31.918 28.738 0.021 0.000 1.443 453 Q HN 0.740 nan 8.270 nan 0.000 0.390 454 K N 1.944 122.391 120.400 0.078 0.000 2.572 454 K HA 0.511 4.801 4.320 -0.049 0.000 0.263 454 K C -1.763 174.835 176.600 -0.004 0.000 0.932 454 K CA -0.709 55.597 56.287 0.032 0.000 0.838 454 K CB 1.917 34.417 32.500 -0.000 0.000 1.366 454 K HN 0.822 nan 8.250 nan 0.000 0.425 455 I N 0.364 120.829 120.570 -0.175 0.000 2.569 455 I HA 0.555 4.695 4.170 -0.049 0.000 0.296 455 I C -0.809 175.232 176.117 -0.127 0.000 1.028 455 I CA -1.229 59.876 61.300 -0.326 0.000 1.082 455 I CB 2.047 39.672 38.000 -0.625 0.000 1.264 455 I HN 0.127 nan 8.210 nan 0.000 0.429 456 V N 6.537 126.398 119.914 -0.089 0.000 2.370 456 V HA 0.506 4.596 4.120 -0.049 0.000 0.283 456 V C 0.061 176.099 176.094 -0.093 0.000 1.023 456 V CA -0.289 61.983 62.300 -0.046 0.000 0.857 456 V CB 1.379 33.210 31.823 0.013 0.000 0.985 456 V HN 0.552 nan 8.190 nan 0.000 0.443 457 I N 3.322 123.847 120.570 -0.075 0.000 2.509 457 I HA 0.385 4.526 4.170 -0.049 0.000 0.293 457 I C -0.170 175.912 176.117 -0.058 0.000 1.020 457 I CA -0.554 60.700 61.300 -0.078 0.000 1.088 457 I CB 2.054 40.016 38.000 -0.063 0.000 1.267 457 I HN 0.513 nan 8.210 nan 0.000 0.430 458 D N 4.780 125.141 120.400 -0.066 0.000 2.338 458 D HA 0.179 4.789 4.640 -0.049 0.000 0.255 458 D C 0.955 177.254 176.300 -0.002 0.000 1.237 458 D CA 0.049 54.034 54.000 -0.026 0.000 0.883 458 D CB 1.795 42.581 40.800 -0.022 0.000 1.087 458 D HN 0.733 nan 8.370 nan 0.000 0.485 459 A N 5.145 127.973 122.820 0.013 0.000 1.986 459 A HA -0.215 4.075 4.320 -0.049 0.000 0.220 459 A C 1.965 179.556 177.584 0.012 0.000 1.171 459 A CA 1.390 53.433 52.037 0.010 0.000 0.640 459 A CB -0.038 18.971 19.000 0.015 0.000 0.811 459 A HN 0.638 nan 8.150 nan 0.000 0.451 460 K N -1.345 119.067 120.400 0.021 0.000 2.168 460 K HA -0.027 4.264 4.320 -0.049 0.000 0.201 460 K C 2.154 178.763 176.600 0.014 0.000 1.049 460 K CA 1.419 57.717 56.287 0.018 0.000 0.974 460 K CB -0.212 32.302 32.500 0.024 0.000 0.792 460 K HN 0.641 nan 8.250 nan 0.000 0.463 461 T N -1.437 113.127 114.554 0.017 0.000 3.043 461 T HA 0.067 4.387 4.350 -0.049 0.000 0.263 461 T C 0.794 175.492 174.700 -0.003 0.000 1.094 461 T CA 0.076 62.182 62.100 0.009 0.000 1.127 461 T CB -0.043 68.833 68.868 0.014 0.000 0.905 461 T HN 0.192 nan 8.240 nan 0.000 0.490 462 R N 0.233 120.728 120.500 -0.008 0.000 3.963 462 R HA -0.107 4.203 4.340 -0.049 0.000 0.394 462 R C -0.545 175.736 176.300 -0.032 0.000 1.131 462 R CA 0.807 56.896 56.100 -0.018 0.000 1.059 462 R CB -1.857 28.436 30.300 -0.012 0.000 1.614 462 R HN 0.481 nan 8.270 nan 0.000 0.546 463 K N 1.006 121.383 120.400 -0.038 0.000 2.144 463 K HA 0.371 4.662 4.320 -0.049 0.000 0.270 463 K C 0.261 176.809 176.600 -0.086 0.000 1.005 463 K CA -0.501 55.752 56.287 -0.056 0.000 0.932 463 K CB 1.608 34.078 32.500 -0.051 0.000 1.021 463 K HN -0.184 nan 8.250 nan 0.000 0.462 464 V N 4.901 124.754 119.914 -0.102 0.000 2.508 464 V HA 0.016 4.106 4.120 -0.049 0.000 0.281 464 V C 1.112 177.117 176.094 -0.147 0.000 1.041 464 V CA 0.154 62.370 62.300 -0.139 0.000 1.016 464 V CB 0.531 32.253 31.823 -0.168 0.000 0.984 464 V HN 0.695 nan 8.190 nan 0.000 0.478 465 L N 4.030 125.158 121.223 -0.158 0.000 2.590 465 L HA 0.518 4.829 4.340 -0.049 0.000 0.227 465 L C 0.955 177.748 176.870 -0.127 0.000 1.099 465 L CA 0.509 55.249 54.840 -0.166 0.000 0.872 465 L CB 0.370 42.286 42.059 -0.238 0.000 1.088 465 L HN 0.805 nan 8.230 nan 0.000 0.479 466 G N -0.142 108.576 108.800 -0.137 0.000 2.616 466 G HA2 0.654 4.584 3.960 -0.049 0.000 0.294 466 G HA3 0.654 4.584 3.960 -0.049 0.000 0.294 466 G C -2.063 172.654 174.900 -0.304 0.000 1.489 466 G CA 0.033 45.042 45.100 -0.151 0.000 0.836 466 G HN -0.022 nan 8.290 nan 0.000 0.527 467 A N 1.533 124.039 122.820 -0.523 0.000 2.422 467 A HA 0.932 5.222 4.320 -0.049 0.000 0.302 467 A C -1.085 176.251 177.584 -0.413 0.000 1.041 467 A CA -0.742 51.006 52.037 -0.482 0.000 0.708 467 A CB 1.453 20.111 19.000 -0.570 0.000 1.257 467 A HN 0.836 nan 8.150 nan 0.000 0.414 468 H N 1.712 121.051 119.070 0.448 0.000 2.894 468 H HA 0.529 5.056 4.556 -0.049 0.000 0.367 468 H C -1.557 174.108 175.328 0.562 0.000 1.144 468 H CA -0.395 55.964 56.048 0.517 0.000 1.180 468 H CB 2.098 32.059 29.762 0.333 0.000 1.758 468 H HN 0.838 nan 8.280 nan 0.000 0.541 469 H N 1.455 120.746 119.070 0.368 0.000 3.029 469 H HA 0.352 4.878 4.556 -0.049 0.000 0.358 469 H C -1.924 173.441 175.328 0.062 0.000 1.129 469 H CA -0.444 55.713 56.048 0.182 0.000 1.230 469 H CB 1.941 31.786 29.762 0.139 0.000 1.827 469 H HN 0.374 nan 8.280 nan 0.000 0.530 470 V N 4.821 124.437 119.914 -0.496 0.000 2.483 470 V HA 0.673 4.763 4.120 -0.049 0.000 0.297 470 V C 0.565 176.279 176.094 -0.634 0.000 1.027 470 V CA 0.406 62.492 62.300 -0.356 0.000 0.855 470 V CB 0.992 32.704 31.823 -0.184 0.000 0.995 470 V HN 1.080 nan 8.190 nan 0.000 0.424 471 G N 4.135 112.728 108.800 -0.346 0.000 2.530 471 G HA2 0.223 4.153 3.960 -0.049 0.000 0.081 471 G HA3 0.223 4.153 3.960 -0.049 0.000 0.081 471 G C -1.779 172.881 174.900 -0.400 0.000 1.062 471 G CA -0.306 44.646 45.100 -0.246 0.000 1.108 471 G HN 0.467 nan 8.290 nan 0.000 0.466 472 Y N -0.639 119.899 120.300 0.396 0.000 2.552 472 Y HA 0.516 5.036 4.550 -0.050 0.000 0.337 472 Y C 0.865 176.844 175.900 0.131 0.000 1.094 472 Y CA 0.241 58.490 58.100 0.248 0.000 1.028 472 Y CB 2.317 40.902 38.460 0.208 0.000 1.321 472 Y HN 1.992 nan 8.280 nan 0.000 0.456 473 G N 0.207 109.125 108.800 0.197 0.000 2.143 473 G HA2 -0.195 3.735 3.960 -0.049 0.000 0.249 473 G HA3 -0.195 3.735 3.960 -0.049 0.000 0.249 473 G C 0.495 175.347 174.900 -0.080 0.000 0.981 473 G CA 0.559 45.690 45.100 0.052 0.000 0.665 473 G HN 1.246 nan 8.290 nan 0.000 0.528 474 A N -0.590 122.107 122.820 -0.206 0.000 2.259 474 A HA 0.545 4.835 4.320 -0.049 0.000 0.213 474 A C 1.810 179.301 177.584 -0.155 0.000 1.209 474 A CA 1.615 53.471 52.037 -0.301 0.000 0.910 474 A CB -0.068 18.405 19.000 -0.879 0.000 0.946 474 A HN 0.470 nan 8.150 nan 0.000 0.497 475 K N 0.608 120.871 120.400 -0.229 0.000 2.034 475 K HA -0.289 4.002 4.320 -0.049 0.000 0.214 475 K C 1.580 178.095 176.600 -0.141 0.000 1.051 475 K CA 2.275 58.394 56.287 -0.280 0.000 0.931 475 K CB -0.297 31.951 32.500 -0.420 0.000 0.715 475 K HN 0.371 nan 8.250 nan 0.000 0.446 476 D N -0.598 119.745 120.400 -0.095 0.000 2.123 476 D HA -0.130 4.480 4.640 -0.049 0.000 0.196 476 D C 1.703 178.027 176.300 0.041 0.000 0.992 476 D CA 1.478 55.456 54.000 -0.037 0.000 0.833 476 D CB -0.064 40.755 40.800 0.031 0.000 0.954 476 D HN 0.405 nan 8.370 nan 0.000 0.455 477 A N -0.468 122.422 122.820 0.116 0.000 1.933 477 A HA -0.152 4.138 4.320 -0.049 0.000 0.218 477 A C 1.938 179.621 177.584 0.164 0.000 1.175 477 A CA 0.970 53.119 52.037 0.186 0.000 0.628 477 A CB -1.061 18.012 19.000 0.122 0.000 0.814 477 A HN 0.300 nan 8.150 nan 0.000 0.444 478 F N 0.536 120.438 119.950 -0.080 0.000 2.250 478 F HA -0.189 4.308 4.527 -0.050 0.000 0.301 478 F C 2.604 178.317 175.800 -0.145 0.000 1.077 478 F CA 1.550 59.501 58.000 -0.082 0.000 1.348 478 F CB -0.503 38.441 39.000 -0.092 0.000 1.040 478 F HN 0.375 nan 8.300 nan 0.000 0.509 479 Q N -1.308 118.421 119.800 -0.118 0.000 2.050 479 Q HA -0.218 4.092 4.340 -0.049 0.000 0.202 479 Q C 1.990 177.763 176.000 -0.378 0.000 0.980 479 Q CA 2.130 57.721 55.803 -0.353 0.000 0.840 479 Q CB -0.479 27.855 28.738 -0.674 0.000 0.898 479 Q HN 0.494 nan 8.270 nan 0.000 0.424 480 Y N -0.210 120.088 120.300 -0.004 0.000 2.314 480 Y HA -0.107 4.413 4.550 -0.050 0.000 0.294 480 Y C 2.109 177.982 175.900 -0.045 0.000 1.119 480 Y CA 0.076 58.166 58.100 -0.018 0.000 1.179 480 Y CB -0.132 38.321 38.460 -0.010 0.000 1.025 480 Y HN 0.086 nan 8.280 nan 0.000 0.541 481 L N 1.093 122.342 121.223 0.044 0.000 2.042 481 L HA -0.247 4.064 4.340 -0.049 0.000 0.210 481 L C 1.863 178.670 176.870 -0.106 0.000 1.076 481 L CA 1.879 56.681 54.840 -0.063 0.000 0.749 481 L CB -0.984 40.954 42.059 -0.203 0.000 0.893 481 L HN 0.184 nan 8.230 nan 0.000 0.432 482 N N -1.024 117.603 118.700 -0.121 0.000 2.149 482 N HA -0.174 4.537 4.740 -0.049 0.000 0.188 482 N C 1.718 177.193 175.510 -0.058 0.000 1.019 482 N CA 1.601 54.588 53.050 -0.105 0.000 0.857 482 N CB -0.159 38.277 38.487 -0.086 0.000 0.997 482 N HN 0.276 nan 8.380 nan 0.000 0.426 483 V N 0.669 120.569 119.914 -0.024 0.000 2.295 483 V HA -0.198 3.893 4.120 -0.049 0.000 0.246 483 V C 2.284 178.380 176.094 0.004 0.000 1.049 483 V CA 1.336 63.641 62.300 0.007 0.000 1.024 483 V CB -0.572 31.283 31.823 0.053 0.000 0.648 483 V HN 0.334 nan 8.190 nan 0.000 0.447 484 L N -0.690 120.535 121.223 0.002 0.000 2.046 484 L HA -0.190 4.120 4.340 -0.049 0.000 0.208 484 L C 2.368 179.220 176.870 -0.030 0.000 1.077 484 L CA 1.697 56.533 54.840 -0.007 0.000 0.747 484 L CB -0.494 41.561 42.059 -0.006 0.000 0.896 484 L HN 0.261 nan 8.230 nan 0.000 0.432 485 I N -0.278 120.258 120.570 -0.056 0.000 2.286 485 I HA -0.288 3.852 4.170 -0.049 0.000 0.248 485 I C 2.346 178.431 176.117 -0.054 0.000 1.115 485 I CA 1.381 62.637 61.300 -0.074 0.000 1.392 485 I CB -0.226 37.705 38.000 -0.115 0.000 1.065 485 I HN 0.205 nan 8.210 nan 0.000 0.418 486 K N 0.411 120.787 120.400 -0.041 0.000 2.362 486 K HA -0.135 4.156 4.320 -0.049 0.000 0.200 486 K C 1.711 178.304 176.600 -0.012 0.000 1.046 486 K CA 0.840 57.112 56.287 -0.025 0.000 0.952 486 K CB -0.028 32.464 32.500 -0.015 0.000 0.753 486 K HN 0.456 nan 8.250 nan 0.000 0.466 487 Q N -0.186 119.608 119.800 -0.010 0.000 2.360 487 Q HA 0.091 4.401 4.340 -0.049 0.000 0.202 487 Q C 0.006 176.002 176.000 -0.007 0.000 0.915 487 Q CA 0.216 56.018 55.803 -0.001 0.000 0.943 487 Q CB 0.927 29.668 28.738 0.005 0.000 1.064 487 Q HN 0.367 nan 8.270 nan 0.000 0.511 488 G N 2.068 110.858 108.800 -0.018 0.000 2.898 488 G HA2 -0.180 3.750 3.960 -0.049 0.000 0.267 488 G HA3 -0.180 3.750 3.960 -0.049 0.000 0.267 488 G C -1.038 173.847 174.900 -0.024 0.000 1.061 488 G CA -0.548 44.539 45.100 -0.021 0.000 1.230 488 G HN 0.171 nan 8.290 nan 0.000 0.569 489 L N 2.779 123.980 121.223 -0.037 0.000 2.275 489 L HA 0.886 5.196 4.340 -0.049 0.000 0.288 489 L C 0.884 177.727 176.870 -0.044 0.000 1.046 489 L CA 0.324 55.141 54.840 -0.038 0.000 0.805 489 L CB 1.499 43.529 42.059 -0.049 0.000 1.193 489 L HN 0.741 nan 8.230 nan 0.000 0.426 490 T N 1.103 115.637 114.554 -0.032 0.000 2.952 490 T HA 0.274 4.594 4.350 -0.049 0.000 0.286 490 T C 1.002 175.684 174.700 -0.030 0.000 1.024 490 T CA -0.125 61.956 62.100 -0.032 0.000 1.029 490 T CB 1.464 70.320 68.868 -0.020 0.000 1.094 490 T HN 0.448 nan 8.240 nan 0.000 0.515 491 V N 0.978 120.874 119.914 -0.031 0.000 2.594 491 V HA -0.138 3.952 4.120 -0.049 0.000 0.253 491 V C 1.679 177.768 176.094 -0.009 0.000 1.069 491 V CA 2.462 64.748 62.300 -0.024 0.000 1.082 491 V CB -1.123 30.686 31.823 -0.023 0.000 0.680 491 V HN 0.961 nan 8.190 nan 0.000 0.469 492 D N -0.367 120.027 120.400 -0.009 0.000 2.123 492 D HA -0.152 4.459 4.640 -0.049 0.000 0.200 492 D C 2.135 178.433 176.300 -0.002 0.000 0.976 492 D CA 1.552 55.550 54.000 -0.004 0.000 0.831 492 D CB -0.128 40.670 40.800 -0.005 0.000 0.974 492 D HN 0.592 nan 8.370 nan 0.000 0.469 493 E N 0.098 120.295 120.200 -0.005 0.000 2.072 493 E HA -0.131 4.189 4.350 -0.049 0.000 0.191 493 E C 1.878 178.480 176.600 0.003 0.000 0.985 493 E CA 0.325 56.724 56.400 -0.002 0.000 0.801 493 E CB -0.033 29.663 29.700 -0.006 0.000 0.750 493 E HN 0.132 nan 8.360 nan 0.000 0.452 494 L N 0.876 122.100 121.223 0.003 0.000 2.046 494 L HA -0.046 4.264 4.340 -0.049 0.000 0.208 494 L C 2.209 179.097 176.870 0.029 0.000 1.077 494 L CA 2.122 56.972 54.840 0.018 0.000 0.747 494 L CB -0.912 41.155 42.059 0.014 0.000 0.896 494 L HN 0.111 nan 8.230 nan 0.000 0.432 495 G N -1.686 107.126 108.800 0.021 0.000 2.471 495 G HA2 -0.288 3.642 3.960 -0.049 0.000 0.219 495 G HA3 -0.288 3.642 3.960 -0.049 0.000 0.219 495 G C 1.175 176.083 174.900 0.014 0.000 1.125 495 G CA 0.797 45.910 45.100 0.020 0.000 0.775 495 G HN 0.464 nan 8.290 nan 0.000 0.548 496 D N -0.413 119.993 120.400 0.010 0.000 2.340 496 D HA 0.150 4.761 4.640 -0.049 0.000 0.220 496 D C 1.507 177.812 176.300 0.008 0.000 1.039 496 D CA -0.177 53.827 54.000 0.006 0.000 0.866 496 D CB -0.039 40.762 40.800 0.003 0.000 0.913 496 D HN 0.213 nan 8.370 nan 0.000 0.523 497 M N -0.003 119.606 119.600 0.014 0.000 2.114 497 M HA 0.162 4.612 4.480 -0.049 0.000 0.293 497 M C -0.148 176.162 176.300 0.016 0.000 1.201 497 M CA -0.106 55.203 55.300 0.015 0.000 1.107 497 M CB 0.654 33.267 32.600 0.022 0.000 1.405 497 M HN -0.168 nan 8.290 nan 0.000 0.486 498 D N 2.245 122.654 120.400 0.015 0.000 2.373 498 D HA 0.129 4.740 4.640 -0.049 0.000 0.227 498 D C -0.246 176.073 176.300 0.031 0.000 1.091 498 D CA -0.179 53.832 54.000 0.018 0.000 0.840 498 D CB 0.695 41.501 40.800 0.011 0.000 1.060 498 D HN 0.431 nan 8.370 nan 0.000 0.502 499 E N 2.235 122.463 120.200 0.046 0.000 2.345 499 E HA 0.219 4.540 4.350 -0.049 0.000 0.259 499 E C -0.523 176.132 176.600 0.092 0.000 1.117 499 E CA -0.518 55.928 56.400 0.076 0.000 0.913 499 E CB 1.490 31.255 29.700 0.108 0.000 1.057 499 E HN 0.352 nan 8.360 nan 0.000 0.432 500 L N 2.713 124.002 121.223 0.109 0.000 2.445 500 L HA 0.301 4.612 4.340 -0.049 0.000 0.252 500 L C -0.457 176.510 176.870 0.162 0.000 1.105 500 L CA -0.809 54.094 54.840 0.105 0.000 0.943 500 L CB 0.135 42.224 42.059 0.051 0.000 1.277 500 L HN 0.440 nan 8.230 nan 0.000 0.465 501 F N 2.526 122.497 119.950 0.034 0.000 2.484 501 F HA 0.271 4.769 4.527 -0.049 0.000 0.360 501 F C 0.060 175.887 175.800 0.046 0.000 1.101 501 F CA -0.186 57.846 58.000 0.052 0.000 1.251 501 F CB 0.765 39.790 39.000 0.041 0.000 1.132 501 F HN 0.129 nan 8.300 nan 0.000 0.570 502 L N 5.878 126.828 121.223 -0.455 0.000 2.331 502 L HA 0.198 4.509 4.340 -0.049 0.000 0.278 502 L C -0.427 176.319 176.870 -0.207 0.000 1.106 502 L CA -0.265 54.062 54.840 -0.855 0.000 0.824 502 L CB 0.404 41.996 42.059 -0.778 0.000 1.142 502 L HN 0.566 nan 8.230 nan 0.000 0.443 503 N N 3.242 121.949 118.700 0.012 0.000 2.430 503 N HA 0.453 5.163 4.740 -0.049 0.000 0.292 503 N C -2.397 173.021 175.510 -0.154 0.000 1.051 503 N CA -2.386 50.666 53.050 0.004 0.000 0.917 503 N CB 0.809 39.337 38.487 0.070 0.000 1.164 503 N HN 0.129 nan 8.380 nan 0.000 0.484 504 P HA -0.138 nan 4.420 nan 0.000 0.216 504 P C -0.005 177.059 177.300 -0.392 0.000 1.154 504 P CA 1.944 64.937 63.100 -0.178 0.000 0.865 504 P CB -0.007 31.603 31.700 -0.151 0.000 0.789 505 T N -3.154 111.101 114.554 -0.499 0.000 2.795 505 T HA 0.262 4.583 4.350 -0.049 0.000 0.282 505 T C 0.371 174.699 174.700 -0.621 0.000 0.980 505 T CA -0.556 61.062 62.100 -0.805 0.000 1.012 505 T CB 0.587 68.809 68.868 -1.075 0.000 0.936 505 T HN 0.136 nan 8.240 nan 0.000 0.457 506 H N 2.297 121.165 119.070 -0.337 0.000 2.520 506 H HA 0.215 4.741 4.556 -0.049 0.000 0.284 506 H C 0.755 176.128 175.328 0.075 0.000 1.037 506 H CA -0.778 55.245 56.048 -0.040 0.000 1.168 506 H CB -0.142 29.658 29.762 0.063 0.000 1.497 506 H HN 0.582 nan 8.280 nan 0.000 0.547 507 F N 0.988 121.009 119.950 0.118 0.000 2.147 507 F HA -0.206 4.291 4.527 -0.050 0.000 0.301 507 F C 2.304 178.131 175.800 0.045 0.000 1.084 507 F CA 0.589 58.623 58.000 0.056 0.000 1.268 507 F CB -1.099 37.902 39.000 0.001 0.000 1.009 507 F HN 0.158 nan 8.300 nan 0.000 0.486 508 I N 0.205 120.910 120.570 0.224 0.000 2.090 508 I HA -0.292 3.848 4.170 -0.049 0.000 0.236 508 I C 2.802 178.975 176.117 0.094 0.000 1.064 508 I CA 1.734 63.113 61.300 0.131 0.000 1.324 508 I CB -0.734 37.323 38.000 0.096 0.000 1.044 508 I HN 0.185 nan 8.210 nan 0.000 0.399 509 Q N 1.399 121.251 119.800 0.087 0.000 2.167 509 Q HA -0.153 4.157 4.340 -0.049 0.000 0.202 509 Q C 2.104 178.126 176.000 0.035 0.000 0.970 509 Q CA 1.611 57.432 55.803 0.030 0.000 0.855 509 Q CB -0.661 28.059 28.738 -0.030 0.000 0.911 509 Q HN 0.541 nan 8.270 nan 0.000 0.438 510 L N 1.038 122.311 121.223 0.084 0.000 2.141 510 L HA -0.078 4.232 4.340 -0.049 0.000 0.209 510 L C 2.532 179.438 176.870 0.058 0.000 1.094 510 L CA 1.045 55.930 54.840 0.074 0.000 0.763 510 L CB -0.361 41.773 42.059 0.125 0.000 0.908 510 L HN 0.174 nan 8.230 nan 0.000 0.437 511 S N -0.381 115.361 115.700 0.071 0.000 2.368 511 S HA -0.179 4.261 4.470 -0.049 0.000 0.224 511 S C 2.059 176.673 174.600 0.023 0.000 1.029 511 S CA 1.072 59.297 58.200 0.041 0.000 0.988 511 S CB -0.227 62.999 63.200 0.043 0.000 0.838 511 S HN 0.330 nan 8.310 nan 0.000 0.462 512 R N 0.903 121.417 120.500 0.022 0.000 2.127 512 R HA -0.010 4.300 4.340 -0.049 0.000 0.238 512 R C 1.969 178.269 176.300 -0.000 0.000 1.134 512 R CA 1.018 57.123 56.100 0.007 0.000 0.975 512 R CB -0.343 29.957 30.300 0.001 0.000 0.865 512 R HN 0.366 nan 8.270 nan 0.000 0.447 513 L N -0.010 121.214 121.223 0.001 0.000 2.275 513 L HA -0.120 4.190 4.340 -0.049 0.000 0.215 513 L C 2.154 179.023 176.870 -0.001 0.000 1.119 513 L CA 0.933 55.770 54.840 -0.004 0.000 0.790 513 L CB -0.119 41.937 42.059 -0.005 0.000 0.919 513 L HN 0.130 nan 8.230 nan 0.000 0.443 514 R N -0.909 119.593 120.500 0.003 0.000 2.316 514 R HA 0.242 4.553 4.340 -0.049 0.000 0.201 514 R C 2.047 178.347 176.300 0.000 0.000 0.888 514 R CA 0.794 56.895 56.100 0.002 0.000 1.041 514 R CB -0.273 30.030 30.300 0.004 0.000 1.115 514 R HN 0.133 nan 8.270 nan 0.000 0.559 515 A N 0.772 123.593 122.820 0.000 0.000 2.131 515 A HA -0.057 4.234 4.320 -0.049 0.000 0.220 515 A C 2.055 179.638 177.584 -0.002 0.000 1.158 515 A CA 1.683 53.719 52.037 -0.001 0.000 0.665 515 A CB -0.767 18.232 19.000 -0.001 0.000 0.795 515 A HN 0.344 nan 8.150 nan 0.000 0.460 516 G N -0.874 107.924 108.800 -0.002 0.000 2.534 516 G HA2 0.145 4.075 3.960 -0.049 0.000 0.217 516 G HA3 0.145 4.075 3.960 -0.049 0.000 0.217 516 G C 0.700 175.599 174.900 -0.002 0.000 1.128 516 G CA 0.724 45.823 45.100 -0.003 0.000 0.784 516 G HN 0.449 nan 8.290 nan 0.000 0.542 517 S N -0.533 115.166 115.700 -0.002 0.000 2.525 517 S HA 0.314 4.754 4.470 -0.049 0.000 0.278 517 S C 0.904 175.504 174.600 -0.001 0.000 1.234 517 S CA -0.582 57.617 58.200 -0.001 0.000 1.058 517 S CB 2.181 65.381 63.200 -0.000 0.000 0.983 517 S HN 0.263 nan 8.310 nan 0.000 0.495 518 K N 1.664 122.064 120.400 -0.000 0.000 2.288 518 K HA 0.054 4.344 4.320 -0.049 0.000 0.201 518 K C 0.122 176.722 176.600 0.001 0.000 1.048 518 K CA 0.612 56.900 56.287 0.000 0.000 0.956 518 K CB 0.088 32.588 32.500 0.000 0.000 0.746 518 K HN 0.451 nan 8.250 nan 0.000 0.461 519 N N 0.660 119.361 118.700 0.001 0.000 2.511 519 N HA 0.199 4.909 4.740 -0.049 0.000 0.249 519 N C -1.311 174.200 175.510 0.002 0.000 0.971 519 N CA -0.321 52.730 53.050 0.002 0.000 0.938 519 N CB 0.654 39.142 38.487 0.002 0.000 1.131 519 N HN -0.032 nan 8.380 nan 0.000 0.505 520 L N 2.371 123.595 121.223 0.001 0.000 2.456 520 L HA 0.293 4.603 4.340 -0.049 0.000 0.272 520 L C -0.281 176.590 176.870 0.002 0.000 1.189 520 L CA -0.249 54.591 54.840 0.001 0.000 0.846 520 L CB 0.556 42.614 42.059 -0.002 0.000 1.111 520 L HN 0.180 nan 8.230 nan 0.000 0.475 521 V N 1.961 121.876 119.914 0.002 0.000 2.709 521 V HA 0.260 4.351 4.120 -0.049 0.000 0.308 521 V C 0.079 176.176 176.094 0.005 0.000 1.062 521 V CA -0.663 61.639 62.300 0.004 0.000 0.901 521 V CB 2.075 33.901 31.823 0.005 0.000 1.003 521 V HN 0.833 nan 8.190 nan 0.000 0.425 522 S N 3.459 119.163 115.700 0.007 0.000 2.576 522 S HA 0.501 4.941 4.470 -0.049 0.000 0.272 522 S C -0.237 174.369 174.600 0.011 0.000 1.352 522 S CA 0.018 58.223 58.200 0.008 0.000 1.021 522 S CB 0.838 64.045 63.200 0.012 0.000 0.887 522 S HN 0.541 nan 8.310 nan 0.000 0.542 523 L N 0.000 121.231 121.223 0.013 0.000 2.949 523 L HA 0.000 4.310 4.340 -0.049 0.000 0.249 523 L CA 0.000 54.849 54.840 0.015 0.000 0.813 523 L CB 0.000 42.069 42.059 0.017 0.000 0.961 523 L HN 0.000 nan 8.230 nan 0.000 0.502