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 2iwk_1_A DATA FIRST_RESID 8 DATA SEQUENCE ADGSVAPGKL DDYYGFWSSG QTGEMRILGI PSMRELMRVP VFNRCSATGW DATA SEQUENCE GQTNESIRIH QRTMTEKTKK QLAANGKKIH DNGDLHHVHM SFTDGKYDGR DATA SEQUENCE YLFMNDKANT RVARVRCDVM KTDAILEIPN AKGIHGMRPQ KWPRSNYVFC DATA SEQUENCE NGEDEAPLVN DGSTMTDVAT YVNIFTAVDA DKWEVAWQVK VSGNLDNCDA DATA SEQUENCE DYEGKWAFST SYNSEMGMTL EEMTKSEMDH VVVFNIAEIE KAIKAGQYEE DATA SEQUENCE INGVKVVDGR KEAKSLFTRY IPIANNPHGC NMAPDRKHLC VAGKLSPTVT DATA SEQUENCE VLDVTKFDAL FYDNAEPRSA VVAEPELGLG PLHTAFDGRG NAYTSLFLDS DATA SEQUENCE QVVKWNIDEA IRAYAGEKIN PIKDKLDVQY QPGHLKTVMG ETLDAANDWL DATA SEQUENCE VCLCKFSKDR FLNVGPLKPE NDQLIDISGD KMVLVHDGPT FAEPHDAIAV DATA SEQUENCE SPSILPNIRS VWDRNDPLWA ETRKQAEADE VDIDEWTEAV IRDGNKVRVY DATA SEQUENCE MTSVAPSFSQ PSFTVKEGDE VTVIVTNLDE IDDLTHGFTM GNHGVAMEVG DATA SEQUENCE PQQTSSVTFV AANPGVYWYY CQWFCHALHM EMRGRMFVEP 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.690 177.584 0.177 0.000 1.274 8 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 8 A CB 0.000 18.929 19.000 -0.118 0.000 0.831 9 D N -1.222 119.320 120.400 0.236 0.000 2.320 9 D HA 0.416 5.062 4.640 0.009 0.000 0.228 9 D C 1.090 177.520 176.300 0.217 0.000 0.978 9 D CA 2.826 56.941 54.000 0.190 0.000 0.905 9 D CB 0.422 41.293 40.800 0.119 0.000 1.051 9 D HN 1.188 nan 8.370 nan 0.000 0.471 10 G N -1.109 107.815 108.800 0.207 0.000 3.141 10 G HA2 0.355 4.320 3.960 0.009 0.000 0.140 10 G HA3 0.355 4.320 3.960 0.009 0.000 0.140 10 G C -0.909 173.928 174.900 -0.105 0.000 1.162 10 G CA 0.386 45.517 45.100 0.052 0.000 1.485 10 G HN 0.781 nan 8.290 nan 0.000 0.713 11 S N -1.035 114.600 115.700 -0.109 0.000 2.905 11 S HA 0.181 4.656 4.470 0.009 0.000 0.292 11 S C -1.589 172.983 174.600 -0.047 0.000 0.459 11 S CA -0.009 58.164 58.200 -0.046 0.000 0.606 11 S CB -0.581 62.629 63.200 0.017 0.000 0.856 11 S HN 1.452 nan 8.310 nan 0.000 0.665 12 V N 4.544 124.414 119.914 -0.073 0.000 2.409 12 V HA 0.822 4.947 4.120 0.009 0.000 0.290 12 V C 0.905 176.962 176.094 -0.062 0.000 1.017 12 V CA -0.132 62.124 62.300 -0.073 0.000 0.841 12 V CB 1.179 32.936 31.823 -0.110 0.000 1.003 12 V HN 1.275 nan 8.190 nan 0.000 0.426 13 A N 6.910 129.702 122.820 -0.045 0.000 2.425 13 A HA 0.610 4.935 4.320 0.009 0.000 0.242 13 A C -2.294 175.262 177.584 -0.046 0.000 1.077 13 A CA -0.983 51.031 52.037 -0.039 0.000 0.781 13 A CB -0.280 18.703 19.000 -0.028 0.000 1.020 13 A HN 0.661 nan 8.150 nan 0.000 0.494 14 P HA 0.236 nan 4.420 nan 0.000 0.261 14 P C 1.024 178.299 177.300 -0.042 0.000 1.183 14 P CA 1.921 64.994 63.100 -0.044 0.000 0.761 14 P CB 0.489 32.167 31.700 -0.037 0.000 0.785 15 G N 1.870 110.641 108.800 -0.048 0.000 2.258 15 G HA2 -0.195 3.770 3.960 0.009 0.000 0.233 15 G HA3 -0.195 3.770 3.960 0.009 0.000 0.233 15 G C 0.139 175.009 174.900 -0.050 0.000 1.006 15 G CA -0.264 44.809 45.100 -0.045 0.000 0.620 15 G HN 0.488 nan 8.290 nan 0.000 0.511 16 K N 0.726 121.093 120.400 -0.055 0.000 2.118 16 K HA 0.689 5.014 4.320 0.009 0.000 0.264 16 K C 0.704 177.254 176.600 -0.084 0.000 1.000 16 K CA -0.409 55.840 56.287 -0.062 0.000 0.929 16 K CB 1.299 33.766 32.500 -0.056 0.000 1.021 16 K HN 0.369 nan 8.250 nan 0.000 0.463 17 L N 1.165 122.329 121.223 -0.098 0.000 2.375 17 L HA 0.290 4.635 4.340 0.009 0.000 0.268 17 L C 0.707 177.484 176.870 -0.156 0.000 1.058 17 L CA -0.909 53.850 54.840 -0.134 0.000 0.803 17 L CB 0.784 42.757 42.059 -0.143 0.000 1.212 17 L HN 0.419 nan 8.230 nan 0.000 0.451 18 D N 0.618 120.897 120.400 -0.201 0.000 2.378 18 D HA -0.038 4.607 4.640 0.009 0.000 0.238 18 D C 0.065 176.219 176.300 -0.244 0.000 1.180 18 D CA 0.037 53.908 54.000 -0.216 0.000 0.895 18 D CB 1.307 41.953 40.800 -0.257 0.000 1.192 18 D HN 0.515 nan 8.370 nan 0.000 0.438 19 D N -0.066 120.188 120.400 -0.243 0.000 2.289 19 D HA -0.025 4.620 4.640 0.009 0.000 0.207 19 D C -0.127 175.752 176.300 -0.701 0.000 0.966 19 D CA 1.013 54.750 54.000 -0.438 0.000 0.868 19 D CB 0.356 40.895 40.800 -0.435 0.000 0.943 19 D HN 0.396 nan 8.370 nan 0.000 0.514 20 Y N -1.388 118.866 120.300 -0.077 0.000 2.534 20 Y HA 0.303 4.858 4.550 0.008 0.000 0.345 20 Y C -0.690 175.125 175.900 -0.140 0.000 1.031 20 Y CA -1.293 56.796 58.100 -0.019 0.000 1.022 20 Y CB 1.124 39.625 38.460 0.068 0.000 1.292 20 Y HN -0.272 nan 8.280 nan 0.000 0.459 21 Y N 0.817 121.160 120.300 0.070 0.000 2.319 21 Y HA 0.507 5.062 4.550 0.008 0.000 0.328 21 Y C 0.779 176.544 175.900 -0.225 0.000 1.133 21 Y CA -0.272 57.715 58.100 -0.189 0.000 1.265 21 Y CB 1.142 39.444 38.460 -0.263 0.000 1.218 21 Y HN 0.674 nan 8.280 nan 0.000 0.508 22 G N 3.062 111.740 108.800 -0.203 0.000 2.415 22 G HA2 0.593 4.558 3.960 0.009 0.000 0.327 22 G HA3 0.593 4.558 3.960 0.009 0.000 0.327 22 G C -1.686 173.066 174.900 -0.246 0.000 1.182 22 G CA -0.546 44.558 45.100 0.008 0.000 0.924 22 G HN 0.447 nan 8.290 nan 0.000 0.470 23 F N 1.534 121.691 119.950 0.346 0.000 2.403 23 F HA 0.429 4.961 4.527 0.008 0.000 0.355 23 F C -0.115 175.840 175.800 0.258 0.000 1.119 23 F CA -0.940 57.189 58.000 0.215 0.000 1.007 23 F CB 1.710 40.717 39.000 0.012 0.000 1.194 23 F HN 0.314 nan 8.300 nan 0.000 0.443 24 W N 3.282 124.629 121.300 0.079 0.000 2.529 24 W HA 0.373 5.038 4.660 0.008 0.000 0.321 24 W C 0.106 176.649 176.519 0.039 0.000 1.047 24 W CA -0.941 56.424 57.345 0.033 0.000 1.216 24 W CB 2.495 31.960 29.460 0.009 0.000 1.357 24 W HN 0.535 nan 8.180 nan 0.000 0.489 25 S N 0.931 116.677 115.700 0.078 0.000 2.608 25 S HA 0.179 4.654 4.470 0.009 0.000 0.261 25 S C 0.623 175.326 174.600 0.172 0.000 1.314 25 S CA 0.163 58.415 58.200 0.087 0.000 0.992 25 S CB 1.537 64.728 63.200 -0.015 0.000 0.935 25 S HN 0.472 nan 8.310 nan 0.000 0.564 26 S N -1.199 114.598 115.700 0.162 0.000 2.993 26 S HA 0.519 4.994 4.470 0.009 0.000 0.257 26 S C 1.143 175.827 174.600 0.140 0.000 0.997 26 S CA 0.182 58.486 58.200 0.174 0.000 1.191 26 S CB -0.758 62.559 63.200 0.194 0.000 1.143 26 S HN 2.048 nan 8.310 nan 0.000 0.655 27 G N 3.642 112.526 108.800 0.141 0.000 2.611 27 G HA2 -0.443 3.522 3.960 0.009 0.000 0.301 27 G HA3 -0.443 3.522 3.960 0.009 0.000 0.301 27 G C 0.920 175.894 174.900 0.124 0.000 1.233 27 G CA 0.719 45.885 45.100 0.109 0.000 0.993 27 G HN 0.809 nan 8.290 nan 0.000 0.553 28 Q N -0.062 119.798 119.800 0.100 0.000 2.439 28 Q HA -0.072 4.273 4.340 0.009 0.000 0.211 28 Q C 2.186 178.274 176.000 0.147 0.000 0.978 28 Q CA 2.389 58.259 55.803 0.112 0.000 0.897 28 Q CB -0.867 27.917 28.738 0.077 0.000 0.956 28 Q HN 0.635 nan 8.270 nan 0.000 0.483 29 T N 0.617 115.270 114.554 0.165 0.000 2.915 29 T HA 0.064 4.419 4.350 0.009 0.000 0.269 29 T C 1.284 176.127 174.700 0.238 0.000 1.071 29 T CA 1.534 63.775 62.100 0.235 0.000 1.132 29 T CB -0.416 68.627 68.868 0.292 0.000 0.878 29 T HN 0.723 nan 8.240 nan 0.000 0.479 30 G N 2.207 111.158 108.800 0.251 0.000 2.162 30 G HA2 -0.256 3.709 3.960 0.009 0.000 0.260 30 G HA3 -0.256 3.709 3.960 0.009 0.000 0.260 30 G C -0.051 175.015 174.900 0.277 0.000 0.976 30 G CA 0.555 45.858 45.100 0.340 0.000 0.655 30 G HN 0.706 nan 8.290 nan 0.000 0.533 31 E N -0.854 119.461 120.200 0.190 0.000 2.249 31 E HA 0.753 5.108 4.350 0.009 0.000 0.263 31 E C 0.012 176.668 176.600 0.093 0.000 0.950 31 E CA -1.413 55.046 56.400 0.099 0.000 0.827 31 E CB 1.375 31.134 29.700 0.098 0.000 1.220 31 E HN 0.234 nan 8.360 nan 0.000 0.411 32 M N 1.611 121.233 119.600 0.036 0.000 2.300 32 M HA 0.375 4.860 4.480 0.009 0.000 0.348 32 M C -0.919 175.441 176.300 0.099 0.000 1.151 32 M CA -0.509 54.838 55.300 0.078 0.000 1.046 32 M CB 1.137 33.757 32.600 0.033 0.000 1.647 32 M HN 0.540 nan 8.290 nan 0.000 0.451 33 R N 4.556 125.152 120.500 0.161 0.000 2.589 33 R HA 0.676 5.021 4.340 0.009 0.000 0.293 33 R C -1.193 175.173 176.300 0.109 0.000 0.963 33 R CA -0.652 55.513 56.100 0.109 0.000 0.905 33 R CB 1.851 32.202 30.300 0.085 0.000 1.144 33 R HN 0.698 nan 8.270 nan 0.000 0.459 34 I N 4.278 124.853 120.570 0.007 0.000 2.378 34 I HA 0.351 4.526 4.170 0.009 0.000 0.291 34 I C -0.303 175.693 176.117 -0.201 0.000 0.992 34 I CA -0.586 60.655 61.300 -0.098 0.000 1.154 34 I CB 1.146 39.120 38.000 -0.043 0.000 1.315 34 I HN 0.294 nan 8.210 nan 0.000 0.448 35 L N 4.613 125.651 121.223 -0.309 0.000 2.303 35 L HA 0.706 5.051 4.340 0.009 0.000 0.266 35 L C 0.465 177.136 176.870 -0.331 0.000 1.011 35 L CA -0.850 53.754 54.840 -0.394 0.000 0.818 35 L CB 1.865 43.503 42.059 -0.702 0.000 1.326 35 L HN 0.597 nan 8.230 nan 0.000 0.435 36 G N 1.467 110.074 108.800 -0.321 0.000 2.367 36 G HA2 0.605 4.571 3.960 0.009 0.000 0.314 36 G HA3 0.605 4.571 3.960 0.009 0.000 0.314 36 G C -0.634 174.098 174.900 -0.279 0.000 1.130 36 G CA -0.349 44.573 45.100 -0.297 0.000 0.864 36 G HN 0.244 nan 8.290 nan 0.000 0.486 37 I N 3.023 123.474 120.570 -0.199 0.000 2.509 37 I HA 0.333 4.508 4.170 0.009 0.000 0.293 37 I C -1.865 174.147 176.117 -0.174 0.000 1.020 37 I CA -2.832 58.347 61.300 -0.201 0.000 1.088 37 I CB 2.485 40.454 38.000 -0.052 0.000 1.267 37 I HN 0.306 nan 8.210 nan 0.000 0.430 38 P HA 0.037 nan 4.420 nan 0.000 0.262 38 P C 1.053 178.054 177.300 -0.498 0.000 1.304 38 P CA 0.270 63.012 63.100 -0.596 0.000 0.859 38 P CB 0.326 31.456 31.700 -0.951 0.000 1.310 39 S N -0.197 115.279 115.700 -0.373 0.000 2.419 39 S HA -0.116 4.359 4.470 0.009 0.000 0.233 39 S C 1.362 175.658 174.600 -0.507 0.000 1.016 39 S CA 0.699 58.669 58.200 -0.382 0.000 0.974 39 S CB -1.085 61.953 63.200 -0.269 0.000 0.786 39 S HN -0.032 nan 8.310 nan 0.000 0.492 40 M N -0.499 118.824 119.600 -0.462 0.000 2.751 40 M HA -0.150 4.335 4.480 0.009 0.000 0.199 40 M C -0.262 175.812 176.300 -0.377 0.000 0.550 40 M CA 0.861 55.890 55.300 -0.452 0.000 0.640 40 M CB -2.613 29.706 32.600 -0.468 0.000 2.351 40 M HN 0.534 nan 8.290 nan 0.000 0.613 41 R N 1.038 121.343 120.500 -0.325 0.000 2.410 41 R HA 0.433 4.778 4.340 0.009 0.000 0.288 41 R C 0.687 176.824 176.300 -0.272 0.000 1.051 41 R CA -0.524 55.426 56.100 -0.250 0.000 1.021 41 R CB 1.124 31.304 30.300 -0.199 0.000 1.032 41 R HN 0.254 nan 8.270 nan 0.000 0.481 42 E N 3.497 123.558 120.200 -0.231 0.000 2.129 42 E HA 0.017 4.372 4.350 0.009 0.000 0.283 42 E C 0.387 176.895 176.600 -0.153 0.000 1.080 42 E CA -0.157 56.114 56.400 -0.215 0.000 0.867 42 E CB 0.606 30.201 29.700 -0.174 0.000 1.056 42 E HN 0.549 nan 8.360 nan 0.000 0.404 43 L N 3.881 125.014 121.223 -0.150 0.000 2.162 43 L HA 0.142 4.487 4.340 0.009 0.000 0.205 43 L C 0.733 177.572 176.870 -0.052 0.000 1.086 43 L CA 0.431 55.210 54.840 -0.102 0.000 0.778 43 L CB -0.012 41.982 42.059 -0.109 0.000 0.928 43 L HN 0.563 nan 8.230 nan 0.000 0.446 44 M N -0.958 118.616 119.600 -0.043 0.000 2.534 44 M HA 0.402 4.887 4.480 0.009 0.000 0.280 44 M C -1.722 174.580 176.300 0.002 0.000 1.217 44 M CA -0.538 54.760 55.300 -0.002 0.000 0.893 44 M CB 2.120 34.732 32.600 0.019 0.000 1.730 44 M HN -0.148 nan 8.290 nan 0.000 0.483 45 R N 1.579 122.091 120.500 0.020 0.000 2.494 45 R HA 0.840 5.185 4.340 0.009 0.000 0.305 45 R C -1.434 174.872 176.300 0.011 0.000 0.959 45 R CA -0.975 55.140 56.100 0.025 0.000 0.864 45 R CB 2.065 32.385 30.300 0.033 0.000 1.159 45 R HN 0.503 nan 8.270 nan 0.000 0.446 46 V N 4.973 124.875 119.914 -0.021 0.000 2.350 46 V HA 0.306 4.431 4.120 0.009 0.000 0.285 46 V C -2.057 173.929 176.094 -0.180 0.000 1.014 46 V CA -2.061 60.178 62.300 -0.101 0.000 0.831 46 V CB 1.558 33.312 31.823 -0.115 0.000 1.000 46 V HN 0.683 nan 8.190 nan 0.000 0.433 47 P HA 0.273 nan 4.420 nan 0.000 0.275 47 P C 0.014 176.919 177.300 -0.660 0.000 1.227 47 P CA 0.212 63.127 63.100 -0.309 0.000 0.781 47 P CB 2.366 33.960 31.700 -0.177 0.000 0.906 48 V N 1.679 121.382 119.914 -0.351 0.000 3.658 48 V HA 0.125 4.250 4.120 0.009 0.000 0.197 48 V C 1.360 177.372 176.094 -0.136 0.000 1.295 48 V CA 0.839 62.855 62.300 -0.472 0.000 1.298 48 V CB -0.772 30.641 31.823 -0.684 0.000 1.347 48 V HN 0.270 nan 8.190 nan 0.000 0.548 49 F N 1.893 122.028 119.950 0.310 0.000 2.704 49 F HA 0.317 4.849 4.527 0.008 0.000 0.304 49 F C 1.029 177.055 175.800 0.377 0.000 1.094 49 F CA -0.806 57.423 58.000 0.381 0.000 1.275 49 F CB -0.526 38.626 39.000 0.252 0.000 1.073 49 F HN 0.335 nan 8.300 nan 0.000 0.586 50 N N 0.218 119.200 118.700 0.469 0.000 2.493 50 N HA 0.336 5.081 4.740 0.009 0.000 0.275 50 N C -0.203 175.546 175.510 0.398 0.000 1.186 50 N CA -0.911 52.359 53.050 0.367 0.000 0.978 50 N CB 0.791 39.444 38.487 0.277 0.000 1.184 50 N HN -0.103 nan 8.380 nan 0.000 0.487 51 R N 1.279 121.944 120.500 0.275 0.000 2.196 51 R HA 0.257 4.602 4.340 0.009 0.000 0.340 51 R C -1.427 175.007 176.300 0.223 0.000 1.043 51 R CA -0.656 55.581 56.100 0.229 0.000 0.883 51 R CB 0.007 30.391 30.300 0.140 0.000 1.078 51 R HN 0.760 nan 8.270 nan 0.000 0.462 52 C N 4.619 124.083 119.300 0.274 0.000 2.225 52 C HA 0.284 4.749 4.460 0.009 0.000 0.328 52 C C 1.814 176.918 174.990 0.190 0.000 1.187 52 C CA -0.220 58.938 59.018 0.233 0.000 1.665 52 C CB -0.416 27.495 27.740 0.284 0.000 2.253 52 C HN 1.054 nan 8.230 nan 0.000 0.497 53 S N 4.136 119.917 115.700 0.134 0.000 2.400 53 S HA -0.122 4.353 4.470 0.009 0.000 0.232 53 S C 1.957 176.626 174.600 0.115 0.000 1.025 53 S CA 2.042 60.304 58.200 0.104 0.000 0.993 53 S CB -0.026 63.213 63.200 0.066 0.000 0.808 53 S HN 1.016 nan 8.310 nan 0.000 0.478 54 A N 0.573 123.472 122.820 0.131 0.000 1.854 54 A HA -0.008 4.317 4.320 0.009 0.000 0.214 54 A C 2.420 180.214 177.584 0.348 0.000 1.192 54 A CA 1.991 54.112 52.037 0.141 0.000 0.611 54 A CB -1.196 17.865 19.000 0.101 0.000 0.832 54 A HN 0.728 nan 8.150 nan 0.000 0.442 55 T N -5.234 109.537 114.554 0.362 0.000 3.037 55 T HA 0.419 4.774 4.350 0.009 0.000 0.251 55 T C 1.411 176.292 174.700 0.301 0.000 1.079 55 T CA 1.136 63.472 62.100 0.392 0.000 1.067 55 T CB 0.401 69.473 68.868 0.339 0.000 0.948 55 T HN 1.728 nan 8.240 nan 0.000 0.496 56 G N 0.647 109.605 108.800 0.265 0.000 2.176 56 G HA2 -0.233 3.732 3.960 0.009 0.000 0.253 56 G HA3 -0.233 3.732 3.960 0.009 0.000 0.253 56 G C 0.000 175.033 174.900 0.221 0.000 0.979 56 G CA -0.112 45.109 45.100 0.201 0.000 0.641 56 G HN 0.658 nan 8.290 nan 0.000 0.530 57 W N 1.133 122.505 121.300 0.119 0.000 2.385 57 W HA 0.334 4.998 4.660 0.008 0.000 0.336 57 W C 1.186 177.783 176.519 0.130 0.000 1.351 57 W CA 1.625 59.048 57.345 0.130 0.000 1.295 57 W CB -0.036 29.506 29.460 0.136 0.000 1.239 57 W HN 1.314 nan 8.180 nan 0.000 0.565 58 G N 3.355 111.888 108.800 -0.445 0.000 2.232 58 G HA2 -0.366 3.599 3.960 0.009 0.000 0.226 58 G HA3 -0.366 3.599 3.960 0.009 0.000 0.226 58 G C 0.708 175.487 174.900 -0.201 0.000 0.996 58 G CA 0.568 45.478 45.100 -0.317 0.000 0.626 58 G HN 0.640 nan 8.290 nan 0.000 0.509 59 Q N 0.040 119.771 119.800 -0.114 0.000 2.254 59 Q HA 0.288 4.634 4.340 0.009 0.000 0.259 59 Q C 1.034 176.999 176.000 -0.058 0.000 0.815 59 Q CA 0.929 56.691 55.803 -0.068 0.000 0.961 59 Q CB -0.058 28.675 28.738 -0.009 0.000 1.140 59 Q HN 0.794 nan 8.270 nan 0.000 0.502 60 T N -0.662 113.857 114.554 -0.059 0.000 2.903 60 T HA 0.129 4.484 4.350 0.009 0.000 0.314 60 T C 0.499 175.150 174.700 -0.082 0.000 1.078 60 T CA 0.389 62.460 62.100 -0.049 0.000 1.114 60 T CB 0.821 69.679 68.868 -0.017 0.000 0.987 60 T HN 0.304 nan 8.240 nan 0.000 0.548 61 N N 1.013 119.672 118.700 -0.068 0.000 2.205 61 N HA -0.122 4.623 4.740 0.009 0.000 0.186 61 N C 1.676 177.154 175.510 -0.053 0.000 1.015 61 N CA 1.218 54.229 53.050 -0.066 0.000 0.862 61 N CB -0.124 38.323 38.487 -0.067 0.000 0.986 61 N HN 0.698 nan 8.380 nan 0.000 0.429 62 E N 0.063 120.244 120.200 -0.030 0.000 2.106 62 E HA -0.120 4.235 4.350 0.009 0.000 0.192 62 E C 2.158 178.730 176.600 -0.046 0.000 0.984 62 E CA 1.155 57.562 56.400 0.013 0.000 0.806 62 E CB -0.132 29.620 29.700 0.086 0.000 0.750 62 E HN 0.403 nan 8.360 nan 0.000 0.458 63 S N 0.124 115.713 115.700 -0.186 0.000 2.377 63 S HA -0.040 4.435 4.470 0.009 0.000 0.223 63 S C 2.093 176.501 174.600 -0.321 0.000 1.030 63 S CA 0.453 58.308 58.200 -0.574 0.000 0.970 63 S CB -0.423 62.094 63.200 -1.140 0.000 0.830 63 S HN 0.172 nan 8.310 nan 0.000 0.473 64 I N 1.960 122.411 120.570 -0.198 0.000 2.208 64 I HA -0.198 3.978 4.170 0.009 0.000 0.245 64 I C 3.058 179.163 176.117 -0.021 0.000 1.097 64 I CA 1.647 62.886 61.300 -0.102 0.000 1.363 64 I CB -0.397 37.539 38.000 -0.106 0.000 1.051 64 I HN 0.340 nan 8.210 nan 0.000 0.413 65 R N 1.461 121.945 120.500 -0.028 0.000 2.083 65 R HA -0.197 4.148 4.340 0.009 0.000 0.237 65 R C 2.332 178.651 176.300 0.031 0.000 1.137 65 R CA 1.773 57.875 56.100 0.004 0.000 0.951 65 R CB -0.278 30.024 30.300 0.004 0.000 0.851 65 R HN 0.294 nan 8.270 nan 0.000 0.434 66 I N -0.107 120.476 120.570 0.022 0.000 2.179 66 I HA -0.308 3.867 4.170 0.009 0.000 0.242 66 I C 2.355 178.505 176.117 0.056 0.000 1.088 66 I CA 1.301 62.628 61.300 0.045 0.000 1.357 66 I CB -0.463 37.584 38.000 0.080 0.000 1.051 66 I HN 0.349 nan 8.210 nan 0.000 0.409 67 H N 0.527 119.600 119.070 0.005 0.000 2.387 67 H HA -0.138 4.423 4.556 0.009 0.000 0.299 67 H C 1.938 177.302 175.328 0.060 0.000 1.090 67 H CA 1.400 57.482 56.048 0.057 0.000 1.332 67 H CB 0.048 29.808 29.762 -0.004 0.000 1.386 67 H HN 0.504 nan 8.280 nan 0.000 0.516 68 Q N 0.146 120.034 119.800 0.147 0.000 2.424 68 Q HA -0.006 4.339 4.340 0.009 0.000 0.204 68 Q C 2.240 178.280 176.000 0.066 0.000 0.933 68 Q CA -0.180 55.674 55.803 0.085 0.000 0.929 68 Q CB 0.339 29.101 28.738 0.040 0.000 1.037 68 Q HN 0.299 nan 8.270 nan 0.000 0.511 69 R N 0.953 121.496 120.500 0.072 0.000 2.113 69 R HA -0.167 4.178 4.340 0.009 0.000 0.244 69 R C 1.746 178.076 176.300 0.050 0.000 1.142 69 R CA 2.056 58.190 56.100 0.057 0.000 0.953 69 R CB -0.104 30.237 30.300 0.069 0.000 0.860 69 R HN 0.270 nan 8.270 nan 0.000 0.438 70 T N -2.987 111.604 114.554 0.062 0.000 3.085 70 T HA 0.214 4.569 4.350 0.009 0.000 0.264 70 T C 0.687 175.410 174.700 0.040 0.000 1.019 70 T CA -0.438 61.687 62.100 0.042 0.000 0.910 70 T CB 0.048 68.938 68.868 0.037 0.000 1.059 70 T HN 0.114 nan 8.240 nan 0.000 0.542 71 M N 4.468 124.100 119.600 0.053 0.000 2.284 71 M HA 0.167 4.652 4.480 0.009 0.000 0.351 71 M C 0.492 176.808 176.300 0.027 0.000 1.443 71 M CA 0.117 55.447 55.300 0.050 0.000 1.031 71 M CB 0.511 33.140 32.600 0.049 0.000 1.893 71 M HN 0.471 nan 8.290 nan 0.000 0.456 72 T N 1.533 116.102 114.554 0.025 0.000 2.860 72 T HA 0.151 4.506 4.350 0.009 0.000 0.299 72 T C 0.961 175.667 174.700 0.010 0.000 1.045 72 T CA -0.823 61.285 62.100 0.013 0.000 1.071 72 T CB 0.872 69.747 68.868 0.011 0.000 0.985 72 T HN 0.686 nan 8.240 nan 0.000 0.537 73 E N 0.862 121.065 120.200 0.005 0.000 2.110 73 E HA -0.137 4.218 4.350 0.009 0.000 0.193 73 E C 1.972 178.573 176.600 0.002 0.000 0.988 73 E CA 1.263 57.664 56.400 0.002 0.000 0.804 73 E CB -0.291 29.410 29.700 0.002 0.000 0.745 73 E HN 0.849 nan 8.360 nan 0.000 0.458 74 K N 0.296 120.699 120.400 0.006 0.000 2.032 74 K HA -0.115 4.210 4.320 0.009 0.000 0.209 74 K C 2.130 178.738 176.600 0.013 0.000 1.048 74 K CA 1.829 58.121 56.287 0.009 0.000 0.927 74 K CB -0.113 32.393 32.500 0.010 0.000 0.712 74 K HN -0.020 nan 8.250 nan 0.000 0.441 75 T N 0.865 115.430 114.554 0.019 0.000 2.746 75 T HA -0.099 4.256 4.350 0.009 0.000 0.267 75 T C 1.542 176.229 174.700 -0.021 0.000 1.039 75 T CA 1.557 63.670 62.100 0.021 0.000 1.142 75 T CB -0.096 68.800 68.868 0.047 0.000 0.866 75 T HN 0.298 nan 8.240 nan 0.000 0.444 76 K N 0.876 121.264 120.400 -0.018 0.000 2.097 76 K HA -0.071 4.254 4.320 0.009 0.000 0.206 76 K C 2.334 178.917 176.600 -0.030 0.000 1.049 76 K CA 1.094 57.362 56.287 -0.031 0.000 0.933 76 K CB -0.064 32.425 32.500 -0.019 0.000 0.717 76 K HN 0.222 nan 8.250 nan 0.000 0.442 77 K N 0.898 121.288 120.400 -0.016 0.000 2.025 77 K HA -0.229 4.096 4.320 0.009 0.000 0.207 77 K C 2.329 178.922 176.600 -0.011 0.000 1.049 77 K CA 1.441 57.721 56.287 -0.010 0.000 0.933 77 K CB 0.068 32.567 32.500 -0.002 0.000 0.714 77 K HN -0.059 nan 8.250 nan 0.000 0.438 78 Q N 0.950 120.745 119.800 -0.007 0.000 2.030 78 Q HA -0.115 4.231 4.340 0.009 0.000 0.204 78 Q C 1.971 177.957 176.000 -0.024 0.000 0.986 78 Q CA 1.798 57.601 55.803 0.001 0.000 0.843 78 Q CB -0.259 28.495 28.738 0.027 0.000 0.904 78 Q HN 0.371 nan 8.270 nan 0.000 0.420 79 L N -0.342 120.838 121.223 -0.072 0.000 2.017 79 L HA -0.195 4.151 4.340 0.009 0.000 0.208 79 L C 2.418 179.251 176.870 -0.062 0.000 1.073 79 L CA 1.121 55.893 54.840 -0.112 0.000 0.745 79 L CB -0.860 41.086 42.059 -0.189 0.000 0.894 79 L HN 0.324 nan 8.230 nan 0.000 0.432 80 A N 0.219 123.011 122.820 -0.047 0.000 1.892 80 A HA -0.276 4.049 4.320 0.009 0.000 0.218 80 A C 2.469 180.042 177.584 -0.018 0.000 1.188 80 A CA 2.098 54.116 52.037 -0.030 0.000 0.631 80 A CB -0.871 18.114 19.000 -0.024 0.000 0.822 80 A HN 0.438 nan 8.150 nan 0.000 0.447 81 A N -0.750 122.063 122.820 -0.012 0.000 2.125 81 A HA -0.107 4.218 4.320 0.009 0.000 0.219 81 A C 1.479 179.064 177.584 0.001 0.000 1.156 81 A CA 1.642 53.677 52.037 -0.003 0.000 0.671 81 A CB -0.542 18.459 19.000 0.003 0.000 0.794 81 A HN 0.661 nan 8.150 nan 0.000 0.459 82 N N -1.361 117.338 118.700 -0.003 0.000 2.204 82 N HA 0.360 5.105 4.740 0.009 0.000 0.219 82 N C 0.658 176.167 175.510 -0.002 0.000 1.151 82 N CA 0.599 53.652 53.050 0.004 0.000 0.867 82 N CB 0.694 39.190 38.487 0.014 0.000 1.043 82 N HN 0.443 nan 8.380 nan 0.000 0.516 83 G N 1.113 109.907 108.800 -0.010 0.000 2.273 83 G HA2 -0.316 3.649 3.960 0.009 0.000 0.280 83 G HA3 -0.316 3.649 3.960 0.009 0.000 0.280 83 G C -0.322 174.566 174.900 -0.020 0.000 1.047 83 G CA 0.409 45.502 45.100 -0.012 0.000 0.869 83 G HN 0.290 nan 8.290 nan 0.000 0.502 84 K N -1.323 119.055 120.400 -0.037 0.000 2.385 84 K HA 0.528 4.853 4.320 0.009 0.000 0.248 84 K C 0.802 177.355 176.600 -0.077 0.000 0.955 84 K CA -1.010 55.244 56.287 -0.056 0.000 0.816 84 K CB 1.903 34.362 32.500 -0.069 0.000 1.250 84 K HN 0.031 nan 8.250 nan 0.000 0.434 85 K N 0.655 121.003 120.400 -0.086 0.000 2.276 85 K HA 0.203 4.528 4.320 0.009 0.000 0.198 85 K C 0.811 177.336 176.600 -0.125 0.000 1.052 85 K CA 0.653 56.885 56.287 -0.092 0.000 0.984 85 K CB 0.237 32.688 32.500 -0.081 0.000 0.836 85 K HN 0.534 nan 8.250 nan 0.000 0.490 86 I N -2.984 117.488 120.570 -0.163 0.000 3.102 86 I HA 0.356 4.531 4.170 0.009 0.000 0.310 86 I C -0.705 175.305 176.117 -0.179 0.000 1.246 86 I CA -1.161 60.019 61.300 -0.199 0.000 0.979 86 I CB 1.822 39.621 38.000 -0.335 0.000 1.267 86 I HN -0.168 nan 8.210 nan 0.000 0.451 87 H N 2.483 121.542 119.070 -0.018 0.000 2.690 87 H HA 0.198 4.759 4.556 0.008 0.000 0.365 87 H C -0.609 174.739 175.328 0.034 0.000 1.142 87 H CA 0.425 56.497 56.048 0.041 0.000 1.417 87 H CB 1.357 31.185 29.762 0.110 0.000 1.446 87 H HN 0.745 nan 8.280 nan 0.000 0.599 88 D N 0.155 120.690 120.400 0.224 0.000 2.571 88 D HA 0.031 4.676 4.640 0.009 0.000 0.239 88 D C -0.248 176.174 176.300 0.203 0.000 1.267 88 D CA -0.537 53.568 54.000 0.174 0.000 0.823 88 D CB -0.217 40.649 40.800 0.111 0.000 1.056 88 D HN 0.667 nan 8.370 nan 0.000 0.494 89 N N -1.775 117.055 118.700 0.216 0.000 2.591 89 N HA 0.652 5.397 4.740 0.009 0.000 0.263 89 N C -0.601 174.998 175.510 0.148 0.000 1.308 89 N CA -0.994 52.163 53.050 0.179 0.000 0.837 89 N CB 2.142 40.698 38.487 0.114 0.000 1.548 89 N HN 0.022 nan 8.380 nan 0.000 0.493 90 G N -0.536 108.353 108.800 0.148 0.000 2.608 90 G HA2 0.436 4.401 3.960 0.009 0.000 0.291 90 G HA3 0.436 4.401 3.960 0.009 0.000 0.291 90 G C -2.159 172.785 174.900 0.073 0.000 1.425 90 G CA -0.480 44.630 45.100 0.015 0.000 0.787 90 G HN 0.647 nan 8.290 nan 0.000 0.484 91 D N 0.097 120.505 120.400 0.014 0.000 2.358 91 D HA 0.336 4.981 4.640 0.009 0.000 0.253 91 D C -1.000 175.438 176.300 0.230 0.000 1.288 91 D CA -0.303 53.778 54.000 0.136 0.000 0.950 91 D CB 1.189 42.076 40.800 0.146 0.000 1.197 91 D HN 0.333 nan 8.370 nan 0.000 0.550 92 L N 5.114 126.492 121.223 0.259 0.000 2.283 92 L HA 0.409 4.754 4.340 0.009 0.000 0.281 92 L C 0.713 177.675 176.870 0.154 0.000 1.033 92 L CA -0.376 54.633 54.840 0.282 0.000 0.848 92 L CB 0.583 42.851 42.059 0.349 0.000 1.226 92 L HN 0.526 nan 8.230 nan 0.000 0.429 93 H N 2.703 121.659 119.070 -0.191 0.000 2.476 93 H HA 0.152 4.713 4.556 0.009 0.000 0.292 93 H C -0.224 174.751 175.328 -0.589 0.000 1.019 93 H CA 0.202 55.926 56.048 -0.540 0.000 1.330 93 H CB 0.598 29.809 29.762 -0.917 0.000 1.451 93 H HN 0.598 nan 8.280 nan 0.000 0.535 94 H N 0.128 119.266 119.070 0.114 0.000 2.609 94 H HA 0.381 4.942 4.556 0.009 0.000 0.344 94 H C -1.057 174.263 175.328 -0.012 0.000 1.040 94 H CA -0.608 55.454 56.048 0.023 0.000 1.216 94 H CB 2.467 32.333 29.762 0.172 0.000 1.529 94 H HN -0.125 nan 8.280 nan 0.000 0.519 95 V N 4.851 124.676 119.914 -0.148 0.000 2.483 95 V HA 0.273 4.399 4.120 0.009 0.000 0.297 95 V C -0.554 175.297 176.094 -0.405 0.000 1.027 95 V CA -0.648 61.574 62.300 -0.129 0.000 0.855 95 V CB 1.188 32.972 31.823 -0.065 0.000 0.995 95 V HN 0.836 nan 8.190 nan 0.000 0.424 96 H N 4.102 123.240 119.070 0.115 0.000 2.851 96 H HA 0.515 5.076 4.556 0.009 0.000 0.372 96 H C -0.522 174.764 175.328 -0.069 0.000 1.158 96 H CA -0.643 55.480 56.048 0.126 0.000 1.159 96 H CB 2.475 32.437 29.762 0.332 0.000 1.757 96 H HN 0.591 nan 8.280 nan 0.000 0.546 97 M N 1.498 121.000 119.600 -0.164 0.000 2.359 97 M HA 0.277 4.762 4.480 0.009 0.000 0.322 97 M C 0.154 176.402 176.300 -0.087 0.000 1.166 97 M CA -0.509 54.498 55.300 -0.489 0.000 1.067 97 M CB 0.892 32.859 32.600 -1.055 0.000 1.523 97 M HN 0.661 nan 8.290 nan 0.000 0.467 98 S N 2.010 117.615 115.700 -0.158 0.000 2.579 98 S HA 0.404 4.879 4.470 0.009 0.000 0.275 98 S C -0.762 173.986 174.600 0.248 0.000 1.345 98 S CA -0.451 57.908 58.200 0.265 0.000 1.031 98 S CB 0.188 63.492 63.200 0.173 0.000 0.892 98 S HN 0.466 nan 8.310 nan 0.000 0.529 99 F N 0.185 120.270 119.950 0.226 0.000 2.492 99 F HA 0.563 5.095 4.527 0.008 0.000 0.327 99 F C 0.660 176.504 175.800 0.072 0.000 1.079 99 F CA -0.597 57.513 58.000 0.183 0.000 0.967 99 F CB 2.377 41.480 39.000 0.173 0.000 1.169 99 F HN 0.541 nan 8.300 nan 0.000 0.472 100 T N 1.956 116.630 114.554 0.200 0.000 2.881 100 T HA 0.274 4.629 4.350 0.009 0.000 0.291 100 T C -1.260 173.441 174.700 0.001 0.000 0.990 100 T CA -0.769 61.355 62.100 0.040 0.000 0.976 100 T CB 1.018 69.877 68.868 -0.016 0.000 0.970 100 T HN 0.579 nan 8.240 nan 0.000 0.438 101 D N 2.370 122.637 120.400 -0.221 0.000 2.689 101 D HA -0.178 4.467 4.640 0.009 0.000 0.237 101 D C 1.277 177.690 176.300 0.188 0.000 1.148 101 D CA 1.931 55.624 54.000 -0.512 0.000 0.656 101 D CB -1.315 39.230 40.800 -0.426 0.000 1.050 101 D HN 1.285 nan 8.370 nan 0.000 0.426 102 G N -0.741 108.360 108.800 0.501 0.000 2.162 102 G HA2 -0.365 3.600 3.960 0.009 0.000 0.260 102 G HA3 -0.365 3.600 3.960 0.009 0.000 0.260 102 G C 0.290 175.568 174.900 0.631 0.000 0.976 102 G CA 0.937 46.503 45.100 0.777 0.000 0.655 102 G HN 0.537 nan 8.290 nan 0.000 0.533 103 K N -0.789 119.837 120.400 0.377 0.000 2.385 103 K HA 0.563 4.889 4.320 0.009 0.000 0.248 103 K C -0.439 176.095 176.600 -0.109 0.000 0.955 103 K CA -1.179 55.149 56.287 0.069 0.000 0.816 103 K CB 1.358 33.904 32.500 0.077 0.000 1.250 103 K HN 0.005 nan 8.250 nan 0.000 0.434 104 Y N 1.952 122.064 120.300 -0.313 0.000 2.702 104 Y HA -0.090 4.465 4.550 0.009 0.000 0.336 104 Y C 1.202 176.996 175.900 -0.176 0.000 1.235 104 Y CA -0.064 57.816 58.100 -0.367 0.000 1.492 104 Y CB 0.170 38.468 38.460 -0.270 0.000 1.308 104 Y HN 0.706 nan 8.280 nan 0.000 0.589 105 D N -1.210 119.191 120.400 0.003 0.000 2.469 105 D HA 0.171 4.817 4.640 0.009 0.000 0.213 105 D C 1.485 177.717 176.300 -0.114 0.000 1.135 105 D CA 0.346 54.323 54.000 -0.038 0.000 0.834 105 D CB 0.151 40.937 40.800 -0.024 0.000 1.009 105 D HN 0.696 nan 8.370 nan 0.000 0.507 106 G N 0.896 109.587 108.800 -0.182 0.000 2.162 106 G HA2 -0.412 3.553 3.960 0.009 0.000 0.260 106 G HA3 -0.412 3.553 3.960 0.009 0.000 0.260 106 G C 1.185 175.882 174.900 -0.338 0.000 0.976 106 G CA 0.577 45.522 45.100 -0.260 0.000 0.655 106 G HN 0.424 nan 8.290 nan 0.000 0.533 107 R N -1.368 118.916 120.500 -0.359 0.000 2.052 107 R HA 0.295 4.640 4.340 0.009 0.000 0.224 107 R C 0.670 176.511 176.300 -0.765 0.000 1.149 107 R CA 1.183 56.957 56.100 -0.543 0.000 0.962 107 R CB 0.157 30.153 30.300 -0.507 0.000 0.856 107 R HN 0.483 nan 8.270 nan 0.000 0.433 108 Y N -0.630 119.398 120.300 -0.453 0.000 2.605 108 Y HA 0.479 5.034 4.550 0.008 0.000 0.343 108 Y C -0.591 174.755 175.900 -0.923 0.000 1.036 108 Y CA -1.242 56.464 58.100 -0.657 0.000 1.065 108 Y CB 1.840 39.862 38.460 -0.731 0.000 1.288 108 Y HN -0.172 nan 8.280 nan 0.000 0.481 109 L N 1.733 122.532 121.223 -0.706 0.000 2.354 109 L HA 0.601 4.946 4.340 0.009 0.000 0.269 109 L C -1.392 175.087 176.870 -0.652 0.000 1.005 109 L CA -0.508 53.889 54.840 -0.738 0.000 0.819 109 L CB 1.703 43.419 42.059 -0.571 0.000 1.311 109 L HN 0.474 nan 8.230 nan 0.000 0.423 110 F N 2.964 122.874 119.950 -0.067 0.000 2.563 110 F HA 0.783 5.315 4.527 0.008 0.000 0.316 110 F C 0.109 175.974 175.800 0.109 0.000 1.076 110 F CA -0.894 57.117 58.000 0.019 0.000 0.921 110 F CB 2.112 41.215 39.000 0.172 0.000 1.209 110 F HN 0.316 nan 8.300 nan 0.000 0.462 111 M N 1.066 120.891 119.600 0.374 0.000 2.603 111 M HA 0.485 4.970 4.480 0.009 0.000 0.275 111 M C -2.210 174.331 176.300 0.402 0.000 1.226 111 M CA -0.854 54.644 55.300 0.330 0.000 0.870 111 M CB 2.550 35.285 32.600 0.224 0.000 1.716 111 M HN 0.696 nan 8.290 nan 0.000 0.482 112 N N -0.500 118.411 118.700 0.352 0.000 2.483 112 N HA 0.682 5.427 4.740 0.009 0.000 0.285 112 N C -1.735 173.882 175.510 0.179 0.000 1.210 112 N CA -0.629 52.576 53.050 0.258 0.000 0.931 112 N CB 1.897 40.486 38.487 0.170 0.000 1.220 112 N HN 0.712 nan 8.380 nan 0.000 0.542 113 D N -0.708 119.618 120.400 -0.124 0.000 2.473 113 D HA 0.161 4.806 4.640 0.009 0.000 0.253 113 D C -0.031 176.125 176.300 -0.241 0.000 1.233 113 D CA -0.657 53.083 54.000 -0.434 0.000 0.908 113 D CB 1.461 41.531 40.800 -1.216 0.000 1.170 113 D HN 0.683 nan 8.370 nan 0.000 0.558 114 K N 2.700 123.005 120.400 -0.159 0.000 2.217 114 K HA 0.016 4.342 4.320 0.009 0.000 0.202 114 K C 1.550 178.082 176.600 -0.114 0.000 1.051 114 K CA 1.032 57.236 56.287 -0.138 0.000 0.952 114 K CB 0.160 32.539 32.500 -0.201 0.000 0.736 114 K HN 0.405 nan 8.250 nan 0.000 0.453 115 A N 1.375 124.120 122.820 -0.125 0.000 1.873 115 A HA -0.074 4.251 4.320 0.009 0.000 0.215 115 A C 1.306 178.788 177.584 -0.171 0.000 1.186 115 A CA 1.374 53.342 52.037 -0.116 0.000 0.616 115 A CB -0.144 18.796 19.000 -0.099 0.000 0.823 115 A HN 0.357 nan 8.150 nan 0.000 0.442 116 N N -0.789 117.761 118.700 -0.249 0.000 2.291 116 N HA 0.123 4.868 4.740 0.009 0.000 0.244 116 N C -0.873 174.544 175.510 -0.154 0.000 1.216 116 N CA 0.744 53.634 53.050 -0.267 0.000 0.879 116 N CB 0.714 38.868 38.487 -0.555 0.000 1.167 116 N HN 0.255 nan 8.380 nan 0.000 0.515 117 T N 0.893 115.360 114.554 -0.145 0.000 3.936 117 T HA -0.178 4.177 4.350 0.009 0.000 0.373 117 T C -0.004 174.655 174.700 -0.069 0.000 0.759 117 T CA 0.740 62.784 62.100 -0.092 0.000 2.004 117 T CB -1.169 67.663 68.868 -0.061 0.000 1.792 117 T HN 0.428 nan 8.240 nan 0.000 0.827 118 R N -0.370 120.075 120.500 -0.090 0.000 2.836 118 R HA 0.829 5.174 4.340 0.009 0.000 0.269 118 R C -0.476 175.873 176.300 0.082 0.000 1.010 118 R CA -1.181 54.924 56.100 0.009 0.000 0.930 118 R CB 2.026 32.379 30.300 0.089 0.000 1.218 118 R HN 0.252 nan 8.270 nan 0.000 0.473 119 V N -2.019 118.031 119.914 0.226 0.000 2.876 119 V HA 0.991 5.116 4.120 0.009 0.000 0.312 119 V C -0.927 175.598 176.094 0.718 0.000 1.085 119 V CA -0.869 61.674 62.300 0.406 0.000 0.945 119 V CB 1.807 33.743 31.823 0.189 0.000 1.017 119 V HN 0.928 nan 8.190 nan 0.000 0.428 120 A N 3.398 126.620 122.820 0.669 0.000 2.413 120 A HA 0.952 5.277 4.320 0.009 0.000 0.307 120 A C -0.562 176.981 177.584 -0.069 0.000 1.087 120 A CA -1.031 51.185 52.037 0.300 0.000 0.750 120 A CB 2.101 21.062 19.000 -0.066 0.000 1.296 120 A HN 1.077 nan 8.150 nan 0.000 0.423 121 R N 1.091 121.222 120.500 -0.615 0.000 2.534 121 R HA 0.652 4.997 4.340 0.009 0.000 0.301 121 R C -1.921 174.095 176.300 -0.473 0.000 0.961 121 R CA -0.344 55.284 56.100 -0.786 0.000 0.871 121 R CB 1.769 31.173 30.300 -1.493 0.000 1.170 121 R HN 0.504 nan 8.270 nan 0.000 0.446 122 V N 4.911 124.611 119.914 -0.357 0.000 2.459 122 V HA 0.429 4.554 4.120 0.009 0.000 0.295 122 V C 0.009 176.000 176.094 -0.172 0.000 1.029 122 V CA -0.854 61.285 62.300 -0.269 0.000 0.874 122 V CB 1.723 33.377 31.823 -0.282 0.000 0.985 122 V HN 0.759 nan 8.190 nan 0.000 0.438 123 R N 2.539 122.971 120.500 -0.113 0.000 2.347 123 R HA 0.173 4.518 4.340 0.009 0.000 0.304 123 R C 0.708 176.854 176.300 -0.257 0.000 1.072 123 R CA -0.334 55.688 56.100 -0.130 0.000 0.980 123 R CB 0.450 30.686 30.300 -0.107 0.000 0.986 123 R HN 0.845 nan 8.270 nan 0.000 0.448 124 C N 1.848 120.938 119.300 -0.349 0.000 2.448 124 C HA -0.079 4.387 4.460 0.009 0.000 0.280 124 C C 1.981 176.787 174.990 -0.306 0.000 1.398 124 C CA 0.546 59.350 59.018 -0.356 0.000 1.774 124 C CB -0.730 26.756 27.740 -0.422 0.000 1.888 124 C HN 0.895 nan 8.230 nan 0.000 0.519 125 D N 1.828 122.045 120.400 -0.306 0.000 2.178 125 D HA -0.117 4.528 4.640 0.009 0.000 0.201 125 D C 1.550 177.652 176.300 -0.331 0.000 0.980 125 D CA 2.028 55.858 54.000 -0.284 0.000 0.842 125 D CB -0.575 40.069 40.800 -0.259 0.000 0.948 125 D HN 0.475 nan 8.370 nan 0.000 0.472 126 V N -4.713 114.979 119.914 -0.370 0.000 3.398 126 V HA 0.350 4.475 4.120 0.009 0.000 0.298 126 V C 0.590 176.492 176.094 -0.320 0.000 1.496 126 V CA -0.473 61.522 62.300 -0.509 0.000 1.044 126 V CB 0.017 31.295 31.823 -0.909 0.000 0.880 126 V HN -0.056 nan 8.190 nan 0.000 0.443 127 M N 0.702 120.162 119.600 -0.232 0.000 2.253 127 M HA -0.115 4.370 4.480 0.009 0.000 0.195 127 M C -0.497 175.719 176.300 -0.140 0.000 0.512 127 M CA 1.292 56.494 55.300 -0.162 0.000 0.442 127 M CB -1.826 30.718 32.600 -0.094 0.000 1.189 127 M HN 0.609 nan 8.290 nan 0.000 0.923 128 K N -0.450 119.861 120.400 -0.148 0.000 2.469 128 K HA 0.527 4.852 4.320 0.009 0.000 0.254 128 K C -0.063 176.409 176.600 -0.213 0.000 0.939 128 K CA -0.528 55.667 56.287 -0.152 0.000 0.812 128 K CB 1.466 34.004 32.500 0.063 0.000 1.301 128 K HN 0.142 nan 8.250 nan 0.000 0.433 129 T N 2.289 116.601 114.554 -0.403 0.000 2.867 129 T HA -0.007 4.348 4.350 0.009 0.000 0.297 129 T C 0.915 175.549 174.700 -0.110 0.000 0.989 129 T CA 0.310 62.190 62.100 -0.367 0.000 1.159 129 T CB 0.186 68.686 68.868 -0.614 0.000 0.928 129 T HN 0.587 nan 8.240 nan 0.000 0.538 130 D N 0.808 121.146 120.400 -0.103 0.000 2.479 130 D HA 0.274 4.919 4.640 0.009 0.000 0.221 130 D C 0.246 176.513 176.300 -0.056 0.000 1.104 130 D CA -0.267 53.721 54.000 -0.020 0.000 0.849 130 D CB 0.500 41.289 40.800 -0.018 0.000 1.072 130 D HN 0.555 nan 8.370 nan 0.000 0.502 131 A N 0.267 122.983 122.820 -0.172 0.000 2.547 131 A HA 0.648 4.973 4.320 0.009 0.000 0.297 131 A C -1.490 176.055 177.584 -0.065 0.000 1.056 131 A CA -0.717 51.239 52.037 -0.133 0.000 0.688 131 A CB 1.299 20.133 19.000 -0.276 0.000 1.282 131 A HN 0.135 nan 8.150 nan 0.000 0.400 132 I N 1.571 122.250 120.570 0.181 0.000 2.545 132 I HA 0.519 4.694 4.170 0.009 0.000 0.292 132 I C -1.309 175.045 176.117 0.395 0.000 1.040 132 I CA -0.862 60.632 61.300 0.324 0.000 1.068 132 I CB 2.125 40.236 38.000 0.185 0.000 1.251 132 I HN 0.580 nan 8.210 nan 0.000 0.424 133 L N 5.774 127.229 121.223 0.388 0.000 2.381 133 L HA 0.438 4.783 4.340 0.009 0.000 0.274 133 L C -0.383 176.521 176.870 0.057 0.000 0.988 133 L CA -0.128 54.771 54.840 0.097 0.000 0.824 133 L CB 1.747 43.640 42.059 -0.276 0.000 1.263 133 L HN 0.590 nan 8.230 nan 0.000 0.410 134 E N 5.478 125.700 120.200 0.037 0.000 2.152 134 E HA 0.277 4.633 4.350 0.009 0.000 0.285 134 E C -0.860 175.711 176.600 -0.048 0.000 1.043 134 E CA -0.669 55.743 56.400 0.020 0.000 0.839 134 E CB 0.698 30.428 29.700 0.049 0.000 1.069 134 E HN 0.527 nan 8.360 nan 0.000 0.399 135 I N 7.453 127.978 120.570 -0.076 0.000 2.337 135 I HA 0.201 4.376 4.170 0.009 0.000 0.291 135 I C -1.960 174.106 176.117 -0.084 0.000 1.046 135 I CA -2.430 58.799 61.300 -0.119 0.000 1.324 135 I CB 0.245 38.156 38.000 -0.149 0.000 1.409 135 I HN 0.458 nan 8.210 nan 0.000 0.494 136 P HA 0.303 nan 4.420 nan 0.000 0.274 136 P C 0.229 177.494 177.300 -0.059 0.000 1.237 136 P CA 0.001 63.066 63.100 -0.058 0.000 0.793 136 P CB 0.856 32.525 31.700 -0.053 0.000 0.977 137 N N -2.494 116.181 118.700 -0.041 0.000 1.710 137 N HA -0.205 4.540 4.740 0.009 0.000 0.213 137 N C 0.436 175.926 175.510 -0.034 0.000 1.023 137 N CA 2.220 55.251 53.050 -0.032 0.000 4.075 137 N CB -2.053 36.419 38.487 -0.026 0.000 0.686 137 N HN 0.650 nan 8.380 nan 0.000 0.276 138 A N 2.153 124.946 122.820 -0.046 0.000 2.351 138 A HA 0.539 4.864 4.320 0.009 0.000 0.257 138 A C 0.376 177.935 177.584 -0.042 0.000 1.087 138 A CA 0.439 52.452 52.037 -0.040 0.000 0.798 138 A CB 0.606 19.570 19.000 -0.061 0.000 1.033 138 A HN 0.167 nan 8.150 nan 0.000 0.488 139 K N -0.176 120.204 120.400 -0.033 0.000 2.464 139 K HA 0.571 4.896 4.320 0.009 0.000 0.253 139 K C 0.005 176.591 176.600 -0.023 0.000 0.933 139 K CA 0.153 56.417 56.287 -0.037 0.000 0.801 139 K CB 1.733 34.203 32.500 -0.050 0.000 1.271 139 K HN 1.883 nan 8.250 nan 0.000 0.430 140 G N 2.676 111.459 108.800 -0.029 0.000 2.417 140 G HA2 -0.188 3.777 3.960 0.009 0.000 0.291 140 G HA3 -0.188 3.777 3.960 0.009 0.000 0.291 140 G C -0.097 174.805 174.900 0.004 0.000 1.094 140 G CA -0.590 44.500 45.100 -0.017 0.000 1.146 140 G HN 0.357 nan 8.290 nan 0.000 0.519 141 I N 1.978 122.535 120.570 -0.023 0.000 2.483 141 I HA 0.150 4.325 4.170 0.009 0.000 0.291 141 I C 1.269 177.404 176.117 0.029 0.000 1.112 141 I CA 0.326 61.623 61.300 -0.006 0.000 1.350 141 I CB -0.183 37.791 38.000 -0.043 0.000 1.419 141 I HN 0.597 nan 8.210 nan 0.000 0.523 142 H N 5.422 124.477 119.070 -0.026 0.000 3.309 142 H HA 0.233 4.794 4.556 0.009 0.000 0.195 142 H C 0.870 176.326 175.328 0.214 0.000 1.202 142 H CA 0.182 56.221 56.048 -0.015 0.000 1.470 142 H CB 0.881 30.655 29.762 0.020 0.000 1.411 142 H HN 0.517 nan 8.280 nan 0.000 0.477 143 G N 1.911 110.616 108.800 -0.159 0.000 2.353 143 G HA2 0.282 4.247 3.960 0.009 0.000 0.239 143 G HA3 0.282 4.247 3.960 0.009 0.000 0.239 143 G C -0.298 174.544 174.900 -0.096 0.000 1.295 143 G CA 0.058 45.006 45.100 -0.252 0.000 0.884 143 G HN 0.428 nan 8.290 nan 0.000 0.537 144 M N 2.778 122.278 119.600 -0.166 0.000 2.284 144 M HA 0.482 4.968 4.480 0.009 0.000 0.281 144 M C -1.351 174.944 176.300 -0.007 0.000 1.083 144 M CA -0.614 54.685 55.300 -0.002 0.000 0.965 144 M CB 1.892 34.571 32.600 0.131 0.000 1.717 144 M HN 0.620 nan 8.290 nan 0.000 0.479 145 R N 4.222 124.712 120.500 -0.017 0.000 2.643 145 R HA 0.641 4.986 4.340 0.009 0.000 0.269 145 R C -2.949 173.338 176.300 -0.021 0.000 1.037 145 R CA -1.359 54.671 56.100 -0.117 0.000 0.894 145 R CB 3.016 33.207 30.300 -0.181 0.000 1.238 145 R HN 0.399 nan 8.270 nan 0.000 0.459 146 P HA 0.066 nan 4.420 nan 0.000 0.279 146 P C -1.223 176.001 177.300 -0.127 0.000 1.252 146 P CA -0.575 62.489 63.100 -0.060 0.000 0.811 146 P CB 0.802 32.654 31.700 0.253 0.000 1.035 147 Q N 1.237 120.923 119.800 -0.189 0.000 2.361 147 Q HA -0.025 4.320 4.340 0.009 0.000 0.276 147 Q C 0.527 176.369 176.000 -0.263 0.000 1.022 147 Q CA 0.538 56.300 55.803 -0.069 0.000 0.898 147 Q CB 0.444 29.158 28.738 -0.040 0.000 1.246 147 Q HN 0.322 nan 8.270 nan 0.000 0.410 148 K N 3.103 123.302 120.400 -0.335 0.000 2.313 148 K HA 0.097 4.422 4.320 0.009 0.000 0.197 148 K C -0.215 176.403 176.600 0.030 0.000 1.061 148 K CA 0.140 56.074 56.287 -0.588 0.000 0.980 148 K CB 0.689 32.742 32.500 -0.746 0.000 0.888 148 K HN 0.586 nan 8.250 nan 0.000 0.502 149 W N 1.781 123.034 121.300 -0.078 0.000 3.097 149 W HA 0.199 4.864 4.660 0.008 0.000 0.335 149 W C -2.805 173.723 176.519 0.015 0.000 1.114 149 W CA -2.041 55.318 57.345 0.023 0.000 1.231 149 W CB 1.694 31.189 29.460 0.059 0.000 1.388 149 W HN -0.197 nan 8.180 nan 0.000 0.485 150 P HA -0.039 nan 4.420 nan 0.000 0.227 150 P C -0.074 176.979 177.300 -0.412 0.000 1.161 150 P CA 1.187 63.849 63.100 -0.730 0.000 0.788 150 P CB 0.818 32.260 31.700 -0.429 0.000 0.822 151 R N -2.934 117.470 120.500 -0.160 0.000 2.747 151 R HA 0.486 4.831 4.340 0.009 0.000 0.272 151 R C -0.885 175.414 176.300 -0.001 0.000 1.032 151 R CA -0.742 55.333 56.100 -0.042 0.000 0.896 151 R CB -0.168 30.101 30.300 -0.052 0.000 1.253 151 R HN -0.410 nan 8.270 nan 0.000 0.461 152 S N 1.037 116.790 115.700 0.088 0.000 4.120 152 S HA 0.046 4.521 4.470 0.009 0.000 0.215 152 S C 0.365 174.923 174.600 -0.070 0.000 1.347 152 S CA -0.319 57.914 58.200 0.055 0.000 0.889 152 S CB -0.841 62.529 63.200 0.283 0.000 1.585 152 S HN 0.541 nan 8.310 nan 0.000 0.447 153 N N 0.975 119.551 118.700 -0.206 0.000 2.188 153 N HA -0.032 4.713 4.740 0.009 0.000 0.184 153 N C -0.267 174.927 175.510 -0.526 0.000 1.018 153 N CA 0.981 53.802 53.050 -0.382 0.000 0.858 153 N CB 0.082 38.243 38.487 -0.544 0.000 0.989 153 N HN 0.539 nan 8.380 nan 0.000 0.426 154 Y N -0.210 119.841 120.300 -0.416 0.000 2.446 154 Y HA 0.529 5.084 4.550 0.008 0.000 0.338 154 Y C -0.375 174.990 175.900 -0.891 0.000 1.055 154 Y CA -1.318 56.331 58.100 -0.752 0.000 1.101 154 Y CB 1.598 39.380 38.460 -1.129 0.000 1.221 154 Y HN -0.329 nan 8.280 nan 0.000 0.460 155 V N 3.668 123.134 119.914 -0.747 0.000 2.409 155 V HA 0.324 4.449 4.120 0.009 0.000 0.291 155 V C -0.711 174.913 176.094 -0.783 0.000 1.020 155 V CA -1.026 60.830 62.300 -0.739 0.000 0.848 155 V CB 0.847 32.260 31.823 -0.684 0.000 0.990 155 V HN 0.542 nan 8.190 nan 0.000 0.430 156 F N 4.096 123.819 119.950 -0.379 0.000 2.394 156 F HA 0.657 5.189 4.527 0.008 0.000 0.340 156 F C 0.554 176.080 175.800 -0.457 0.000 1.105 156 F CA -0.474 57.201 58.000 -0.542 0.000 1.124 156 F CB 1.377 40.206 39.000 -0.286 0.000 1.145 156 F HN 0.676 nan 8.300 nan 0.000 0.505 157 C N 1.253 120.285 119.300 -0.447 0.000 2.985 157 C HA 0.615 5.080 4.460 0.009 0.000 0.314 157 C C -1.187 173.659 174.990 -0.240 0.000 1.215 157 C CA -1.130 57.734 59.018 -0.256 0.000 1.414 157 C CB 1.353 28.971 27.740 -0.203 0.000 1.842 157 C HN 0.716 nan 8.230 nan 0.000 0.477 158 N N 0.786 119.475 118.700 -0.018 0.000 2.421 158 N HA 0.566 5.311 4.740 0.009 0.000 0.285 158 N C 0.088 175.640 175.510 0.069 0.000 1.027 158 N CA 0.026 53.141 53.050 0.108 0.000 0.918 158 N CB 1.872 40.477 38.487 0.197 0.000 1.152 158 N HN 1.181 nan 8.380 nan 0.000 0.485 159 G N 0.571 109.413 108.800 0.070 0.000 2.365 159 G HA2 0.055 4.020 3.960 0.009 0.000 0.293 159 G HA3 0.055 4.020 3.960 0.009 0.000 0.293 159 G C 0.763 175.709 174.900 0.077 0.000 1.128 159 G CA -0.309 44.822 45.100 0.052 0.000 0.971 159 G HN 0.650 nan 8.290 nan 0.000 0.422 160 E N 1.804 122.052 120.200 0.081 0.000 2.158 160 E HA -0.065 4.290 4.350 0.009 0.000 0.191 160 E C -0.146 176.464 176.600 0.016 0.000 0.982 160 E CA 0.353 56.793 56.400 0.067 0.000 0.823 160 E CB 0.238 30.003 29.700 0.108 0.000 0.766 160 E HN 0.438 nan 8.360 nan 0.000 0.468 161 D N 1.452 121.862 120.400 0.017 0.000 2.210 161 D HA 0.131 4.776 4.640 0.009 0.000 0.249 161 D C -0.797 175.498 176.300 -0.008 0.000 1.078 161 D CA -0.089 53.915 54.000 0.006 0.000 0.875 161 D CB 1.488 42.283 40.800 -0.008 0.000 1.175 161 D HN 0.006 nan 8.370 nan 0.000 0.440 162 E N 0.491 120.696 120.200 0.007 0.000 2.229 162 E HA 0.627 4.982 4.350 0.009 0.000 0.283 162 E C -0.534 175.935 176.600 -0.217 0.000 1.030 162 E CA -0.600 55.814 56.400 0.024 0.000 0.836 162 E CB 1.397 31.221 29.700 0.207 0.000 1.068 162 E HN 0.425 nan 8.360 nan 0.000 0.401 163 A N 3.617 126.249 122.820 -0.312 0.000 2.610 163 A HA 0.674 4.999 4.320 0.009 0.000 0.291 163 A C -2.818 174.557 177.584 -0.349 0.000 1.086 163 A CA -1.647 50.013 52.037 -0.630 0.000 0.677 163 A CB 1.076 19.859 19.000 -0.362 0.000 1.278 163 A HN 0.424 nan 8.150 nan 0.000 0.414 164 P HA 0.339 nan 4.420 nan 0.000 0.272 164 P C 0.674 177.947 177.300 -0.045 0.000 1.223 164 P CA -0.316 62.752 63.100 -0.053 0.000 0.784 164 P CB 0.554 32.257 31.700 0.006 0.000 0.923 165 L N 1.223 122.446 121.223 -0.001 0.000 2.131 165 L HA -0.015 4.331 4.340 0.009 0.000 0.206 165 L C 0.687 177.556 176.870 -0.001 0.000 1.087 165 L CA 1.046 55.885 54.840 -0.000 0.000 0.767 165 L CB -0.121 41.949 42.059 0.018 0.000 0.917 165 L HN 0.140 nan 8.230 nan 0.000 0.441 166 V N 1.387 121.306 119.914 0.008 0.000 2.267 166 V HA 0.073 4.198 4.120 0.009 0.000 0.254 166 V C 0.053 176.148 176.094 0.002 0.000 1.144 166 V CA -0.229 62.075 62.300 0.008 0.000 0.992 166 V CB 0.227 32.059 31.823 0.016 0.000 1.199 166 V HN 0.236 nan 8.190 nan 0.000 0.493 167 N N 3.687 122.380 118.700 -0.012 0.000 3.298 167 N HA 0.079 4.824 4.740 0.009 0.000 0.292 167 N C 0.596 176.101 175.510 -0.009 0.000 1.271 167 N CA -0.361 52.675 53.050 -0.023 0.000 1.184 167 N CB 0.315 38.773 38.487 -0.048 0.000 1.452 167 N HN 0.686 nan 8.380 nan 0.000 0.534 168 D N -0.224 120.178 120.400 0.003 0.000 2.402 168 D HA 0.215 4.860 4.640 0.009 0.000 0.216 168 D C 1.186 177.493 176.300 0.013 0.000 1.128 168 D CA 0.029 54.034 54.000 0.008 0.000 0.833 168 D CB -0.251 40.555 40.800 0.010 0.000 0.971 168 D HN 0.313 nan 8.370 nan 0.000 0.503 169 G N 0.609 109.419 108.800 0.016 0.000 2.195 169 G HA2 -0.378 3.587 3.960 0.009 0.000 0.246 169 G HA3 -0.378 3.587 3.960 0.009 0.000 0.246 169 G C 1.266 176.186 174.900 0.032 0.000 0.984 169 G CA 0.761 45.875 45.100 0.024 0.000 0.633 169 G HN 0.638 nan 8.290 nan 0.000 0.525 170 S N -0.473 115.246 115.700 0.032 0.000 2.414 170 S HA 0.131 4.606 4.470 0.009 0.000 0.227 170 S C 1.810 176.436 174.600 0.044 0.000 1.022 170 S CA 2.103 60.323 58.200 0.033 0.000 0.958 170 S CB -0.164 63.053 63.200 0.028 0.000 0.797 170 S HN 1.632 nan 8.310 nan 0.000 0.493 171 T N -0.901 113.689 114.554 0.061 0.000 3.288 171 T HA 0.377 4.732 4.350 0.009 0.000 0.293 171 T C 1.343 176.127 174.700 0.141 0.000 1.008 171 T CA 0.018 62.168 62.100 0.084 0.000 0.929 171 T CB -0.361 68.558 68.868 0.086 0.000 1.152 171 T HN 0.486 nan 8.240 nan 0.000 0.517 172 M N 1.282 120.957 119.600 0.125 0.000 2.267 172 M HA -0.032 4.454 4.480 0.009 0.000 0.263 172 M C 1.999 178.458 176.300 0.266 0.000 1.063 172 M CA 2.192 57.596 55.300 0.174 0.000 1.090 172 M CB -1.375 31.279 32.600 0.089 0.000 1.392 172 M HN 0.290 nan 8.290 nan 0.000 0.422 173 T N -3.263 111.382 114.554 0.152 0.000 3.081 173 T HA 0.051 4.406 4.350 0.009 0.000 0.250 173 T C 0.374 175.080 174.700 0.011 0.000 1.100 173 T CA 0.072 62.230 62.100 0.097 0.000 1.038 173 T CB -0.311 68.587 68.868 0.052 0.000 0.962 173 T HN 0.349 nan 8.240 nan 0.000 0.516 174 D N 1.601 122.015 120.400 0.024 0.000 2.441 174 D HA 0.252 4.897 4.640 0.009 0.000 0.221 174 D C 1.261 177.412 176.300 -0.247 0.000 1.156 174 D CA -0.537 53.423 54.000 -0.066 0.000 0.896 174 D CB 0.984 41.784 40.800 0.001 0.000 1.028 174 D HN -0.019 nan 8.370 nan 0.000 0.509 175 V N 3.847 123.464 119.914 -0.496 0.000 2.568 175 V HA -0.263 3.863 4.120 0.009 0.000 0.253 175 V C 2.458 178.292 176.094 -0.433 0.000 1.072 175 V CA 1.995 63.745 62.300 -0.917 0.000 1.084 175 V CB -0.734 30.726 31.823 -0.605 0.000 0.676 175 V HN 0.673 nan 8.190 nan 0.000 0.469 176 A N 0.660 123.362 122.820 -0.197 0.000 2.076 176 A HA -0.209 4.116 4.320 0.009 0.000 0.220 176 A C 2.327 179.914 177.584 0.006 0.000 1.160 176 A CA 2.167 54.160 52.037 -0.073 0.000 0.653 176 A CB -0.731 18.241 19.000 -0.047 0.000 0.801 176 A HN 0.665 nan 8.150 nan 0.000 0.455 177 T N -4.149 110.440 114.554 0.058 0.000 3.129 177 T HA 0.215 4.570 4.350 0.009 0.000 0.251 177 T C 0.196 175.068 174.700 0.288 0.000 1.117 177 T CA -0.302 61.889 62.100 0.153 0.000 1.034 177 T CB -0.427 68.537 68.868 0.159 0.000 0.968 177 T HN 0.207 nan 8.240 nan 0.000 0.526 178 Y N 2.317 122.628 120.300 0.018 0.000 2.304 178 Y HA 0.553 5.108 4.550 0.008 0.000 0.327 178 Y C 0.577 176.493 175.900 0.027 0.000 1.209 178 Y CA -2.222 55.891 58.100 0.021 0.000 1.299 178 Y CB 1.003 39.473 38.460 0.018 0.000 1.249 178 Y HN 0.194 nan 8.280 nan 0.000 0.519 179 V N 0.170 120.181 119.914 0.162 0.000 3.159 179 V HA 0.642 4.767 4.120 0.009 0.000 0.308 179 V C -0.918 175.231 176.094 0.091 0.000 1.190 179 V CA -1.186 61.185 62.300 0.119 0.000 1.037 179 V CB 2.575 34.457 31.823 0.098 0.000 1.060 179 V HN 0.745 nan 8.190 nan 0.000 0.437 180 N N 0.873 119.638 118.700 0.108 0.000 2.319 180 N HA 0.742 5.487 4.740 0.009 0.000 0.305 180 N C -1.669 173.921 175.510 0.133 0.000 1.103 180 N CA -0.322 52.792 53.050 0.106 0.000 0.815 180 N CB 2.372 40.931 38.487 0.121 0.000 1.288 180 N HN 0.593 nan 8.380 nan 0.000 0.493 181 I N 1.787 122.426 120.570 0.115 0.000 2.436 181 I HA 0.316 4.491 4.170 0.009 0.000 0.289 181 I C -0.643 175.555 176.117 0.136 0.000 1.010 181 I CA -0.582 60.786 61.300 0.113 0.000 1.098 181 I CB 1.139 39.162 38.000 0.038 0.000 1.266 181 I HN 0.373 nan 8.210 nan 0.000 0.434 182 F N 5.588 125.531 119.950 -0.013 0.000 2.404 182 F HA 0.715 5.247 4.527 0.008 0.000 0.339 182 F C -0.066 175.619 175.800 -0.191 0.000 1.105 182 F CA 0.044 57.952 58.000 -0.153 0.000 1.087 182 F CB 1.170 39.932 39.000 -0.396 0.000 1.143 182 F HN 0.442 nan 8.300 nan 0.000 0.491 183 T N 5.290 119.287 114.554 -0.928 0.000 2.861 183 T HA 0.724 5.079 4.350 0.009 0.000 0.287 183 T C -0.912 173.142 174.700 -1.077 0.000 1.003 183 T CA -0.597 61.047 62.100 -0.760 0.000 0.977 183 T CB 1.432 69.995 68.868 -0.508 0.000 0.996 183 T HN 0.771 nan 8.240 nan 0.000 0.448 184 A N 2.807 124.921 122.820 -1.177 0.000 2.271 184 A HA 0.730 5.055 4.320 0.009 0.000 0.317 184 A C -0.293 176.685 177.584 -1.011 0.000 1.245 184 A CA -0.582 50.641 52.037 -1.358 0.000 0.857 184 A CB 0.520 18.004 19.000 -2.526 0.000 1.175 184 A HN 0.683 nan 8.150 nan 0.000 0.512 185 V N 2.860 122.284 119.914 -0.816 0.000 2.427 185 V HA 0.194 4.319 4.120 0.009 0.000 0.286 185 V C 0.066 175.851 176.094 -0.516 0.000 1.034 185 V CA -0.673 61.203 62.300 -0.706 0.000 0.893 185 V CB 1.660 32.936 31.823 -0.911 0.000 0.982 185 V HN 0.935 nan 8.190 nan 0.000 0.452 186 D N 3.915 124.084 120.400 -0.386 0.000 2.342 186 D HA 0.185 4.830 4.640 0.009 0.000 0.260 186 D C 0.944 177.129 176.300 -0.192 0.000 1.278 186 D CA 0.266 54.123 54.000 -0.238 0.000 0.910 186 D CB 1.691 42.389 40.800 -0.171 0.000 1.079 186 D HN 0.630 nan 8.370 nan 0.000 0.496 187 A N 4.260 126.987 122.820 -0.156 0.000 2.119 187 A HA -0.116 4.209 4.320 0.009 0.000 0.217 187 A C 1.630 179.287 177.584 0.121 0.000 1.153 187 A CA 0.840 52.894 52.037 0.029 0.000 0.692 187 A CB 0.111 19.061 19.000 -0.082 0.000 0.799 187 A HN 0.558 nan 8.150 nan 0.000 0.458 188 D N -0.273 120.152 120.400 0.042 0.000 2.197 188 D HA -0.016 4.629 4.640 0.009 0.000 0.212 188 D C 1.697 178.029 176.300 0.053 0.000 0.963 188 D CA 1.015 55.046 54.000 0.051 0.000 0.864 188 D CB -0.163 40.655 40.800 0.029 0.000 1.009 188 D HN 0.403 nan 8.370 nan 0.000 0.479 189 K N -0.474 119.950 120.400 0.040 0.000 2.305 189 K HA -0.027 4.299 4.320 0.009 0.000 0.199 189 K C 0.229 176.908 176.600 0.131 0.000 1.047 189 K CA -0.174 56.142 56.287 0.048 0.000 0.976 189 K CB 0.718 33.216 32.500 -0.003 0.000 0.765 189 K HN 0.213 nan 8.250 nan 0.000 0.474 190 W N 2.401 123.613 121.300 -0.146 0.000 5.820 190 W HA -0.259 4.405 4.660 0.008 0.000 0.415 190 W C -1.234 175.213 176.519 -0.120 0.000 1.627 190 W CA 0.548 57.804 57.345 -0.149 0.000 0.991 190 W CB -0.756 28.625 29.460 -0.132 0.000 2.842 190 W HN 0.146 nan 8.180 nan 0.000 1.416 191 E N -0.131 119.906 120.200 -0.271 0.000 2.408 191 E HA 0.340 4.695 4.350 0.009 0.000 0.275 191 E C -0.466 175.923 176.600 -0.351 0.000 0.935 191 E CA -0.962 55.282 56.400 -0.260 0.000 0.775 191 E CB 1.920 31.538 29.700 -0.136 0.000 1.277 191 E HN -0.132 nan 8.360 nan 0.000 0.455 192 V N 1.748 121.473 119.914 -0.315 0.000 2.572 192 V HA 0.070 4.195 4.120 0.009 0.000 0.291 192 V C 1.140 177.054 176.094 -0.298 0.000 1.039 192 V CA 0.847 62.937 62.300 -0.351 0.000 1.055 192 V CB 0.844 32.498 31.823 -0.283 0.000 0.969 192 V HN 0.913 nan 8.190 nan 0.000 0.482 193 A N 6.247 128.830 122.820 -0.396 0.000 1.861 193 A HA 0.227 4.552 4.320 0.009 0.000 0.212 193 A C 0.684 178.154 177.584 -0.190 0.000 1.199 193 A CA 0.935 52.783 52.037 -0.316 0.000 0.613 193 A CB 0.239 18.981 19.000 -0.429 0.000 0.846 193 A HN 0.951 nan 8.150 nan 0.000 0.446 194 W N -3.093 118.055 121.300 -0.252 0.000 2.982 194 W HA 0.650 5.316 4.660 0.009 0.000 0.344 194 W C -1.695 174.661 176.519 -0.272 0.000 1.215 194 W CA -0.810 56.376 57.345 -0.265 0.000 1.182 194 W CB 0.363 29.665 29.460 -0.263 0.000 1.437 194 W HN 0.123 nan 8.180 nan 0.000 0.570 195 Q N 0.768 120.701 119.800 0.222 0.000 2.456 195 Q HA 0.633 4.978 4.340 0.009 0.000 0.283 195 Q C -1.376 174.721 176.000 0.162 0.000 1.084 195 Q CA -1.113 54.776 55.803 0.143 0.000 0.801 195 Q CB 3.490 32.229 28.738 0.001 0.000 1.434 195 Q HN 0.276 nan 8.270 nan 0.000 0.419 196 V N 1.592 121.618 119.914 0.187 0.000 2.483 196 V HA 0.326 4.451 4.120 0.009 0.000 0.297 196 V C -0.703 175.519 176.094 0.212 0.000 1.027 196 V CA -1.011 61.392 62.300 0.173 0.000 0.855 196 V CB 1.581 33.569 31.823 0.275 0.000 0.995 196 V HN 0.612 nan 8.190 nan 0.000 0.424 197 K N 3.396 123.896 120.400 0.168 0.000 2.412 197 K HA 0.516 4.841 4.320 0.009 0.000 0.281 197 K C -0.224 176.518 176.600 0.237 0.000 1.027 197 K CA -0.153 56.240 56.287 0.177 0.000 0.989 197 K CB 1.306 33.888 32.500 0.137 0.000 0.935 197 K HN 0.646 nan 8.250 nan 0.000 0.475 198 V N -1.216 118.846 119.914 0.247 0.000 3.001 198 V HA 0.470 4.595 4.120 0.009 0.000 0.314 198 V C -0.337 175.897 176.094 0.233 0.000 1.099 198 V CA -1.042 61.435 62.300 0.295 0.000 0.989 198 V CB 2.113 34.144 31.823 0.347 0.000 1.040 198 V HN 0.620 nan 8.190 nan 0.000 0.434 199 S N 1.762 117.606 115.700 0.240 0.000 2.513 199 S HA 0.750 5.225 4.470 0.009 0.000 0.276 199 S C 0.484 175.227 174.600 0.237 0.000 1.254 199 S CA 0.461 58.721 58.200 0.101 0.000 1.053 199 S CB 0.450 63.534 63.200 -0.195 0.000 0.958 199 S HN 2.244 nan 8.310 nan 0.000 0.491 200 G N 3.439 112.337 108.800 0.163 0.000 2.814 200 G HA2 -0.206 3.759 3.960 0.009 0.000 0.677 200 G HA3 -0.206 3.759 3.960 0.009 0.000 0.677 200 G C -0.332 174.628 174.900 0.101 0.000 1.429 200 G CA -0.291 44.889 45.100 0.133 0.000 0.868 200 G HN 0.978 nan 8.290 nan 0.000 0.553 201 N N -1.381 117.300 118.700 -0.032 0.000 2.366 201 N HA 0.681 5.426 4.740 0.009 0.000 0.277 201 N C -0.065 175.434 175.510 -0.019 0.000 1.275 201 N CA -0.879 52.132 53.050 -0.065 0.000 0.964 201 N CB 0.873 39.225 38.487 -0.224 0.000 1.167 201 N HN 0.682 nan 8.380 nan 0.000 0.568 202 L N -0.195 121.036 121.223 0.013 0.000 2.406 202 L HA 0.291 4.636 4.340 0.009 0.000 0.272 202 L C -0.195 176.770 176.870 0.158 0.000 0.980 202 L CA -0.689 54.226 54.840 0.125 0.000 0.831 202 L CB 1.694 43.885 42.059 0.219 0.000 1.253 202 L HN 0.739 nan 8.230 nan 0.000 0.406 203 D N 1.651 122.181 120.400 0.217 0.000 2.685 203 D HA 0.140 4.785 4.640 0.009 0.000 0.257 203 D C 0.091 176.606 176.300 0.358 0.000 1.472 203 D CA 0.528 54.770 54.000 0.404 0.000 1.125 203 D CB 0.498 41.580 40.800 0.470 0.000 0.969 203 D HN 0.538 nan 8.370 nan 0.000 0.281 204 N N -1.612 117.215 118.700 0.211 0.000 2.459 204 N HA 0.537 5.282 4.740 0.009 0.000 0.288 204 N C -0.833 174.749 175.510 0.121 0.000 1.186 204 N CA -0.627 52.467 53.050 0.073 0.000 0.917 204 N CB 2.133 40.635 38.487 0.026 0.000 1.219 204 N HN 0.472 nan 8.380 nan 0.000 0.525 205 C N -1.227 118.130 119.300 0.095 0.000 3.173 205 C HA 0.767 5.232 4.460 0.009 0.000 0.310 205 C C -1.352 173.744 174.990 0.177 0.000 1.306 205 C CA -0.784 58.346 59.018 0.186 0.000 1.426 205 C CB 1.670 29.558 27.740 0.248 0.000 1.800 205 C HN 0.675 nan 8.230 nan 0.000 0.470 206 D N -0.453 120.108 120.400 0.269 0.000 2.752 206 D HA 0.831 5.476 4.640 0.009 0.000 0.313 206 D C -0.931 175.373 176.300 0.006 0.000 1.225 206 D CA 0.136 54.282 54.000 0.242 0.000 0.976 206 D CB 2.286 43.323 40.800 0.396 0.000 1.443 206 D HN 1.286 nan 8.370 nan 0.000 0.515 207 A N 0.295 123.109 122.820 -0.010 0.000 2.527 207 A HA 0.618 4.943 4.320 0.009 0.000 0.293 207 A C -0.679 176.898 177.584 -0.012 0.000 1.117 207 A CA -0.577 51.303 52.037 -0.261 0.000 0.723 207 A CB 1.358 20.345 19.000 -0.021 0.000 1.313 207 A HN 0.557 nan 8.150 nan 0.000 0.411 208 D N -0.875 119.551 120.400 0.043 0.000 2.478 208 D HA 0.179 4.824 4.640 0.009 0.000 0.269 208 D C -0.340 175.971 176.300 0.018 0.000 1.232 208 D CA -0.017 54.151 54.000 0.279 0.000 1.059 208 D CB 0.375 41.477 40.800 0.504 0.000 1.104 208 D HN 0.464 nan 8.370 nan 0.000 0.566 209 Y N -1.310 119.045 120.300 0.092 0.000 2.485 209 Y HA 0.183 4.738 4.550 0.009 0.000 0.260 209 Y C 1.116 176.895 175.900 -0.201 0.000 1.173 209 Y CA -0.033 58.072 58.100 0.008 0.000 1.252 209 Y CB 0.572 39.000 38.460 -0.053 0.000 1.123 209 Y HN 0.391 nan 8.280 nan 0.000 0.524 210 E N -1.377 118.802 120.200 -0.036 0.000 2.601 210 E HA 0.222 4.578 4.350 0.009 0.000 0.219 210 E C 1.412 178.032 176.600 0.034 0.000 0.964 210 E CA 0.393 56.661 56.400 -0.221 0.000 1.050 210 E CB 0.960 30.538 29.700 -0.204 0.000 1.068 210 E HN 0.353 nan 8.360 nan 0.000 0.496 211 G N 2.389 111.257 108.800 0.114 0.000 2.148 211 G HA2 -0.366 3.599 3.960 0.009 0.000 0.254 211 G HA3 -0.366 3.599 3.960 0.009 0.000 0.254 211 G C 0.898 175.781 174.900 -0.027 0.000 0.981 211 G CA 0.897 46.076 45.100 0.133 0.000 0.670 211 G HN 0.225 nan 8.290 nan 0.000 0.528 212 K N -1.631 118.615 120.400 -0.257 0.000 2.186 212 K HA 0.166 4.491 4.320 0.009 0.000 0.202 212 K C 0.610 176.765 176.600 -0.742 0.000 1.052 212 K CA 0.961 56.822 56.287 -0.711 0.000 0.965 212 K CB 0.174 31.903 32.500 -1.285 0.000 0.746 212 K HN 0.577 nan 8.250 nan 0.000 0.457 213 W N -0.263 121.043 121.300 0.009 0.000 2.950 213 W HA 0.588 5.253 4.660 0.008 0.000 0.340 213 W C -0.883 175.356 176.519 -0.466 0.000 1.139 213 W CA -1.209 56.061 57.345 -0.125 0.000 1.188 213 W CB 1.250 30.753 29.460 0.072 0.000 1.426 213 W HN -0.227 nan 8.180 nan 0.000 0.531 214 A N 1.725 124.343 122.820 -0.338 0.000 2.386 214 A HA 1.024 5.349 4.320 0.009 0.000 0.308 214 A C -1.662 175.584 177.584 -0.564 0.000 1.128 214 A CA -0.803 50.757 52.037 -0.795 0.000 0.789 214 A CB 1.026 19.420 19.000 -1.011 0.000 1.325 214 A HN 0.674 nan 8.150 nan 0.000 0.437 215 F N -0.996 118.978 119.950 0.040 0.000 2.641 215 F HA 0.731 5.263 4.527 0.008 0.000 0.308 215 F C -0.117 175.706 175.800 0.038 0.000 1.105 215 F CA -0.696 57.291 58.000 -0.022 0.000 0.964 215 F CB 1.934 40.914 39.000 -0.033 0.000 1.294 215 F HN 0.363 nan 8.300 nan 0.000 0.442 216 S N 0.078 115.898 115.700 0.200 0.000 2.541 216 S HA 0.672 5.147 4.470 0.009 0.000 0.280 216 S C -0.616 174.064 174.600 0.133 0.000 1.112 216 S CA -0.965 57.356 58.200 0.202 0.000 0.925 216 S CB 2.105 65.465 63.200 0.267 0.000 1.067 216 S HN 0.843 nan 8.310 nan 0.000 0.479 217 T N -0.395 114.242 114.554 0.139 0.000 2.882 217 T HA 0.683 5.038 4.350 0.009 0.000 0.287 217 T C 0.022 174.775 174.700 0.088 0.000 1.014 217 T CA -0.670 61.494 62.100 0.106 0.000 1.049 217 T CB 1.345 70.282 68.868 0.114 0.000 1.001 217 T HN 0.415 nan 8.240 nan 0.000 0.525 218 S N 0.654 116.345 115.700 -0.016 0.000 2.594 218 S HA 0.448 4.924 4.470 0.009 0.000 0.296 218 S C -0.215 174.319 174.600 -0.109 0.000 1.124 218 S CA -0.894 57.210 58.200 -0.160 0.000 1.011 218 S CB 0.606 63.507 63.200 -0.499 0.000 1.016 218 S HN 0.848 nan 8.310 nan 0.000 0.485 219 Y N 3.514 123.791 120.300 -0.037 0.000 2.481 219 Y HA 0.538 5.093 4.550 0.009 0.000 0.258 219 Y C 0.682 176.558 175.900 -0.040 0.000 1.103 219 Y CA -0.125 57.957 58.100 -0.030 0.000 1.287 219 Y CB -0.022 38.446 38.460 0.012 0.000 1.108 219 Y HN 0.542 nan 8.280 nan 0.000 0.529 220 N N 1.019 119.569 118.700 -0.250 0.000 2.735 220 N HA 0.085 4.830 4.740 0.009 0.000 0.312 220 N C 0.639 176.082 175.510 -0.112 0.000 1.843 220 N CA 0.316 53.289 53.050 -0.130 0.000 0.945 220 N CB 0.151 38.518 38.487 -0.200 0.000 1.299 220 N HN 0.319 nan 8.380 nan 0.000 0.489 221 S N -0.467 115.164 115.700 -0.115 0.000 2.447 221 S HA -0.103 4.372 4.470 0.009 0.000 0.233 221 S C 1.200 175.801 174.600 0.001 0.000 1.006 221 S CA 0.760 58.927 58.200 -0.056 0.000 0.957 221 S CB -0.113 63.051 63.200 -0.060 0.000 0.773 221 S HN 0.345 nan 8.310 nan 0.000 0.507 222 E N 1.135 121.332 120.200 -0.006 0.000 2.274 222 E HA 0.153 4.508 4.350 0.009 0.000 0.194 222 E C 0.484 177.084 176.600 -0.001 0.000 0.996 222 E CA 0.381 56.782 56.400 0.001 0.000 0.840 222 E CB -0.417 29.288 29.700 0.008 0.000 0.772 222 E HN 0.246 nan 8.360 nan 0.000 0.491 223 M N -0.284 119.317 119.600 0.003 0.000 2.302 223 M HA -0.138 4.347 4.480 0.009 0.000 0.200 223 M C 0.377 176.679 176.300 0.004 0.000 0.366 223 M CA 1.032 56.339 55.300 0.011 0.000 0.440 223 M CB -2.594 30.010 32.600 0.008 0.000 1.475 223 M HN 0.153 nan 8.290 nan 0.000 0.905 224 G N 0.063 108.873 108.800 0.017 0.000 2.476 224 G HA2 0.492 4.457 3.960 0.009 0.000 0.269 224 G HA3 0.492 4.457 3.960 0.009 0.000 0.269 224 G C 0.956 175.881 174.900 0.043 0.000 1.195 224 G CA -0.577 44.536 45.100 0.022 0.000 0.843 224 G HN 0.428 nan 8.290 nan 0.000 0.545 225 M N 0.809 120.430 119.600 0.034 0.000 2.333 225 M HA 0.159 4.644 4.480 0.009 0.000 0.257 225 M C 0.872 177.205 176.300 0.055 0.000 1.078 225 M CA 0.217 55.550 55.300 0.056 0.000 1.005 225 M CB -0.337 32.289 32.600 0.042 0.000 1.444 225 M HN 0.655 nan 8.290 nan 0.000 0.496 226 T N -2.972 111.609 114.554 0.046 0.000 2.896 226 T HA 0.462 4.818 4.350 0.009 0.000 0.297 226 T C 0.645 175.371 174.700 0.043 0.000 1.108 226 T CA -0.812 61.312 62.100 0.041 0.000 1.004 226 T CB 2.082 70.966 68.868 0.027 0.000 1.159 226 T HN -0.018 nan 8.240 nan 0.000 0.499 227 L N 1.057 122.301 121.223 0.035 0.000 2.021 227 L HA -0.060 4.285 4.340 0.009 0.000 0.215 227 L C 2.506 179.391 176.870 0.025 0.000 1.074 227 L CA 2.500 57.356 54.840 0.027 0.000 0.760 227 L CB -0.931 41.135 42.059 0.012 0.000 0.889 227 L HN 0.978 nan 8.230 nan 0.000 0.433 228 E N -0.300 119.912 120.200 0.020 0.000 2.077 228 E HA -0.224 4.131 4.350 0.009 0.000 0.193 228 E C 2.069 178.680 176.600 0.019 0.000 0.989 228 E CA 1.729 58.139 56.400 0.016 0.000 0.800 228 E CB -0.135 29.572 29.700 0.012 0.000 0.746 228 E HN 0.677 nan 8.360 nan 0.000 0.452 229 E N -0.531 119.682 120.200 0.022 0.000 2.152 229 E HA -0.104 4.251 4.350 0.009 0.000 0.192 229 E C 1.970 178.590 176.600 0.033 0.000 0.983 229 E CA 0.966 57.379 56.400 0.021 0.000 0.818 229 E CB -0.098 29.612 29.700 0.016 0.000 0.758 229 E HN 0.371 nan 8.360 nan 0.000 0.467 230 M N 0.359 119.991 119.600 0.053 0.000 2.476 230 M HA -0.063 4.422 4.480 0.009 0.000 0.262 230 M C 1.558 177.907 176.300 0.081 0.000 1.079 230 M CA 1.174 56.527 55.300 0.089 0.000 1.104 230 M CB 0.050 32.736 32.600 0.143 0.000 1.409 230 M HN 0.100 nan 8.290 nan 0.000 0.467 231 T N -3.906 110.676 114.554 0.047 0.000 3.182 231 T HA 0.188 4.543 4.350 0.009 0.000 0.277 231 T C 1.235 175.947 174.700 0.020 0.000 1.013 231 T CA -0.474 61.645 62.100 0.032 0.000 0.900 231 T CB 0.241 69.119 68.868 0.016 0.000 1.098 231 T HN 0.198 nan 8.240 nan 0.000 0.543 232 K N 1.400 121.811 120.400 0.019 0.000 2.062 232 K HA 0.126 4.451 4.320 0.009 0.000 0.205 232 K C 1.140 177.746 176.600 0.009 0.000 1.051 232 K CA 0.337 56.631 56.287 0.011 0.000 0.941 232 K CB -0.125 32.380 32.500 0.008 0.000 0.719 232 K HN 0.347 nan 8.250 nan 0.000 0.440 233 S N 0.855 116.562 115.700 0.011 0.000 2.576 233 S HA 0.018 4.493 4.470 0.009 0.000 0.276 233 S C 0.739 175.345 174.600 0.009 0.000 1.339 233 S CA -0.227 57.978 58.200 0.009 0.000 1.039 233 S CB 0.971 64.177 63.200 0.009 0.000 0.902 233 S HN 0.215 nan 8.310 nan 0.000 0.516 234 E N 2.343 122.547 120.200 0.007 0.000 2.208 234 E HA 0.021 4.376 4.350 0.009 0.000 0.193 234 E C 0.041 176.647 176.600 0.010 0.000 0.988 234 E CA 0.806 57.210 56.400 0.007 0.000 0.828 234 E CB 0.121 29.824 29.700 0.005 0.000 0.763 234 E HN 0.569 nan 8.360 nan 0.000 0.478 235 M N 0.116 119.724 119.600 0.013 0.000 2.501 235 M HA 0.243 4.728 4.480 0.009 0.000 0.293 235 M C -0.688 175.623 176.300 0.018 0.000 1.192 235 M CA -0.633 54.678 55.300 0.018 0.000 0.886 235 M CB 2.510 35.124 32.600 0.023 0.000 1.710 235 M HN -0.169 nan 8.290 nan 0.000 0.457 236 D N 0.064 120.468 120.400 0.007 0.000 2.424 236 D HA 0.538 5.183 4.640 0.009 0.000 0.239 236 D C -0.690 175.622 176.300 0.021 0.000 1.246 236 D CA 0.085 54.056 54.000 -0.048 0.000 1.129 236 D CB 0.770 41.508 40.800 -0.103 0.000 1.199 236 D HN 0.738 nan 8.370 nan 0.000 0.584 237 H N -2.473 116.620 119.070 0.039 0.000 3.014 237 H HA 0.478 5.039 4.556 0.009 0.000 0.337 237 H C -1.623 173.704 175.328 -0.002 0.000 1.320 237 H CA -0.833 55.228 56.048 0.022 0.000 1.128 237 H CB 0.771 30.575 29.762 0.070 0.000 1.862 237 H HN 0.039 nan 8.280 nan 0.000 0.536 238 V N 1.993 122.000 119.914 0.155 0.000 2.435 238 V HA 0.234 4.360 4.120 0.009 0.000 0.290 238 V C 0.073 176.091 176.094 -0.128 0.000 1.030 238 V CA -0.762 61.563 62.300 0.041 0.000 0.881 238 V CB 1.484 33.279 31.823 -0.046 0.000 0.983 238 V HN 0.505 nan 8.190 nan 0.000 0.445 239 V N 5.967 125.730 119.914 -0.252 0.000 2.407 239 V HA 0.394 4.519 4.120 0.009 0.000 0.278 239 V C -0.020 175.593 176.094 -0.802 0.000 1.037 239 V CA -0.556 61.279 62.300 -0.774 0.000 0.900 239 V CB 1.586 32.817 31.823 -0.987 0.000 0.983 239 V HN 0.580 nan 8.190 nan 0.000 0.459 240 V N 5.538 124.955 119.914 -0.828 0.000 2.394 240 V HA 0.453 4.578 4.120 0.009 0.000 0.282 240 V C -0.453 175.310 176.094 -0.552 0.000 1.031 240 V CA -0.391 61.552 62.300 -0.594 0.000 0.881 240 V CB 1.130 32.526 31.823 -0.711 0.000 0.982 240 V HN 0.641 nan 8.190 nan 0.000 0.451 241 F N 3.248 123.111 119.950 -0.144 0.000 2.405 241 F HA 0.392 4.924 4.527 0.008 0.000 0.355 241 F C 0.748 176.606 175.800 0.096 0.000 1.121 241 F CA -0.639 57.296 58.000 -0.108 0.000 1.112 241 F CB 0.895 39.671 39.000 -0.374 0.000 1.126 241 F HN 0.407 nan 8.300 nan 0.000 0.481 242 N N 4.782 123.602 118.700 0.199 0.000 2.602 242 N HA 0.115 4.860 4.740 0.009 0.000 0.238 242 N C 1.047 176.544 175.510 -0.022 0.000 1.084 242 N CA -0.032 53.011 53.050 -0.012 0.000 0.952 242 N CB 0.228 38.443 38.487 -0.453 0.000 1.244 242 N HN 0.476 nan 8.380 nan 0.000 0.512 243 I N 1.899 122.452 120.570 -0.029 0.000 2.208 243 I HA -0.247 3.928 4.170 0.009 0.000 0.245 243 I C 2.139 178.248 176.117 -0.014 0.000 1.097 243 I CA 0.947 62.270 61.300 0.038 0.000 1.363 243 I CB -1.530 36.567 38.000 0.162 0.000 1.051 243 I HN 0.484 nan 8.210 nan 0.000 0.413 244 A N 0.486 123.261 122.820 -0.074 0.000 1.908 244 A HA -0.189 4.136 4.320 0.009 0.000 0.218 244 A C 2.213 179.795 177.584 -0.003 0.000 1.181 244 A CA 1.486 53.499 52.037 -0.041 0.000 0.627 244 A CB -0.425 18.525 19.000 -0.084 0.000 0.818 244 A HN 0.391 nan 8.150 nan 0.000 0.445 245 E N -0.233 119.977 120.200 0.018 0.000 2.107 245 E HA -0.081 4.275 4.350 0.009 0.000 0.191 245 E C 1.994 178.711 176.600 0.196 0.000 0.982 245 E CA 0.854 57.325 56.400 0.120 0.000 0.809 245 E CB -0.337 29.436 29.700 0.122 0.000 0.756 245 E HN 0.742 nan 8.360 nan 0.000 0.459 246 I N 1.232 121.815 120.570 0.021 0.000 2.179 246 I HA -0.260 3.915 4.170 0.009 0.000 0.242 246 I C 2.309 178.172 176.117 -0.425 0.000 1.088 246 I CA 1.248 62.307 61.300 -0.402 0.000 1.357 246 I CB -0.242 37.208 38.000 -0.916 0.000 1.051 246 I HN 0.049 nan 8.210 nan 0.000 0.409 247 E N 0.773 120.814 120.200 -0.265 0.000 2.077 247 E HA -0.280 4.075 4.350 0.009 0.000 0.193 247 E C 2.156 178.743 176.600 -0.021 0.000 0.989 247 E CA 1.114 57.450 56.400 -0.106 0.000 0.800 247 E CB -0.104 29.630 29.700 0.057 0.000 0.746 247 E HN 0.341 nan 8.360 nan 0.000 0.452 248 K N 0.845 121.255 120.400 0.016 0.000 2.044 248 K HA -0.225 4.100 4.320 0.009 0.000 0.210 248 K C 2.118 178.764 176.600 0.076 0.000 1.049 248 K CA 1.450 57.770 56.287 0.053 0.000 0.927 248 K CB -0.143 32.397 32.500 0.066 0.000 0.713 248 K HN 0.093 nan 8.250 nan 0.000 0.443 249 A N 1.337 124.218 122.820 0.101 0.000 1.898 249 A HA -0.127 4.198 4.320 0.009 0.000 0.216 249 A C 2.033 179.701 177.584 0.140 0.000 1.181 249 A CA 1.343 53.467 52.037 0.144 0.000 0.620 249 A CB -0.446 18.680 19.000 0.209 0.000 0.819 249 A HN 0.305 nan 8.150 nan 0.000 0.442 250 I N -0.002 120.600 120.570 0.053 0.000 2.226 250 I HA -0.202 3.973 4.170 0.009 0.000 0.245 250 I C 2.099 178.342 176.117 0.210 0.000 1.100 250 I CA 1.623 63.004 61.300 0.135 0.000 1.374 250 I CB -1.269 36.688 38.000 -0.072 0.000 1.057 250 I HN 0.342 nan 8.210 nan 0.000 0.413 251 K N 0.658 121.129 120.400 0.118 0.000 2.362 251 K HA 0.008 4.333 4.320 0.009 0.000 0.200 251 K C 1.714 178.376 176.600 0.103 0.000 1.046 251 K CA 1.046 57.398 56.287 0.107 0.000 0.952 251 K CB -0.034 32.509 32.500 0.071 0.000 0.753 251 K HN 0.279 nan 8.250 nan 0.000 0.466 252 A N 0.045 122.925 122.820 0.101 0.000 2.308 252 A HA 0.289 4.614 4.320 0.009 0.000 0.217 252 A C 1.272 178.867 177.584 0.018 0.000 1.216 252 A CA 0.484 52.556 52.037 0.059 0.000 0.864 252 A CB -0.067 18.965 19.000 0.052 0.000 0.902 252 A HN 0.325 nan 8.150 nan 0.000 0.499 253 G N -0.825 107.996 108.800 0.036 0.000 2.155 253 G HA2 -0.246 3.719 3.960 0.009 0.000 0.257 253 G HA3 -0.246 3.719 3.960 0.009 0.000 0.257 253 G C 0.196 174.806 174.900 -0.483 0.000 0.983 253 G CA 0.333 45.260 45.100 -0.288 0.000 0.676 253 G HN 0.453 nan 8.290 nan 0.000 0.528 254 Q N -0.108 119.606 119.800 -0.143 0.000 3.181 254 Q HA 0.447 4.792 4.340 0.009 0.000 0.293 254 Q C -0.097 175.930 176.000 0.046 0.000 1.406 254 Q CA 0.189 55.963 55.803 -0.049 0.000 1.026 254 Q CB -0.457 28.334 28.738 0.088 0.000 1.630 254 Q HN 0.905 nan 8.270 nan 0.000 0.553 255 Y N -2.830 117.477 120.300 0.012 0.000 2.656 255 Y HA 0.535 5.090 4.550 0.009 0.000 0.334 255 Y C -0.778 175.126 175.900 0.007 0.000 1.179 255 Y CA -1.533 56.562 58.100 -0.009 0.000 1.050 255 Y CB 0.929 39.366 38.460 -0.038 0.000 1.308 255 Y HN -0.020 nan 8.280 nan 0.000 0.456 256 E N 0.858 121.209 120.200 0.251 0.000 2.191 256 E HA 0.270 4.625 4.350 0.009 0.000 0.274 256 E C -1.337 175.412 176.600 0.248 0.000 0.948 256 E CA -1.110 55.396 56.400 0.177 0.000 0.802 256 E CB 2.324 32.087 29.700 0.104 0.000 1.137 256 E HN 0.616 nan 8.360 nan 0.000 0.397 257 E N 3.371 123.691 120.200 0.200 0.000 2.229 257 E HA 0.273 4.628 4.350 0.009 0.000 0.283 257 E C -1.019 175.626 176.600 0.076 0.000 1.030 257 E CA -0.268 56.218 56.400 0.142 0.000 0.836 257 E CB 0.576 30.358 29.700 0.136 0.000 1.068 257 E HN 0.409 nan 8.360 nan 0.000 0.401 258 I N 4.606 125.205 120.570 0.048 0.000 2.500 258 I HA 0.177 4.352 4.170 0.009 0.000 0.286 258 I C -0.352 175.771 176.117 0.010 0.000 1.063 258 I CA -0.843 60.475 61.300 0.030 0.000 1.062 258 I CB 1.616 39.634 38.000 0.031 0.000 1.223 258 I HN 0.613 nan 8.210 nan 0.000 0.435 259 N N 4.733 123.437 118.700 0.008 0.000 2.735 259 N HA -0.195 4.550 4.740 0.009 0.000 0.248 259 N C 0.956 176.460 175.510 -0.011 0.000 1.083 259 N CA 1.383 54.431 53.050 -0.003 0.000 0.703 259 N CB -0.814 37.667 38.487 -0.010 0.000 1.005 259 N HN 1.213 nan 8.380 nan 0.000 0.550 260 G N -2.430 106.368 108.800 -0.003 0.000 2.162 260 G HA2 -0.276 3.689 3.960 0.009 0.000 0.260 260 G HA3 -0.276 3.689 3.960 0.009 0.000 0.260 260 G C 0.124 175.007 174.900 -0.027 0.000 0.976 260 G CA 0.936 46.031 45.100 -0.009 0.000 0.655 260 G HN 1.297 nan 8.290 nan 0.000 0.533 261 V N -3.481 116.414 119.914 -0.032 0.000 2.864 261 V HA 0.825 4.950 4.120 0.009 0.000 0.314 261 V C 0.079 176.137 176.094 -0.060 0.000 1.073 261 V CA -1.838 60.423 62.300 -0.064 0.000 0.956 261 V CB 1.784 33.557 31.823 -0.084 0.000 1.023 261 V HN 0.216 nan 8.190 nan 0.000 0.435 262 K N 2.361 122.676 120.400 -0.141 0.000 2.312 262 K HA 0.654 4.979 4.320 0.009 0.000 0.287 262 K C -1.073 175.467 176.600 -0.100 0.000 1.062 262 K CA -0.320 55.812 56.287 -0.258 0.000 0.934 262 K CB 1.521 33.589 32.500 -0.720 0.000 1.027 262 K HN 0.610 nan 8.250 nan 0.000 0.478 263 V N 3.795 123.712 119.914 0.006 0.000 2.588 263 V HA 0.315 4.440 4.120 0.009 0.000 0.304 263 V C -0.142 175.972 176.094 0.033 0.000 1.042 263 V CA -1.032 61.283 62.300 0.025 0.000 0.877 263 V CB 1.688 33.538 31.823 0.044 0.000 0.996 263 V HN 0.585 nan 8.190 nan 0.000 0.425 264 V N 0.209 120.082 119.914 -0.069 0.000 2.881 264 V HA 0.735 4.860 4.120 0.009 0.000 0.316 264 V C -0.645 175.443 176.094 -0.011 0.000 1.070 264 V CA -0.641 61.578 62.300 -0.135 0.000 0.976 264 V CB 2.073 33.489 31.823 -0.678 0.000 1.038 264 V HN 0.782 nan 8.190 nan 0.000 0.446 265 D N 2.250 122.728 120.400 0.130 0.000 2.412 265 D HA 0.537 5.182 4.640 0.009 0.000 0.224 265 D C 0.702 177.201 176.300 0.331 0.000 1.093 265 D CA 0.221 54.340 54.000 0.198 0.000 0.850 265 D CB 1.280 42.182 40.800 0.171 0.000 1.046 265 D HN 0.925 nan 8.370 nan 0.000 0.507 266 G N 3.466 112.444 108.800 0.298 0.000 3.502 266 G HA2 0.047 4.012 3.960 0.009 0.000 0.267 266 G HA3 0.047 4.012 3.960 0.009 0.000 0.267 266 G C 0.666 175.741 174.900 0.292 0.000 1.090 266 G CA -0.373 44.934 45.100 0.344 0.000 0.795 266 G HN 0.311 nan 8.290 nan 0.000 0.535 267 R N 0.314 120.941 120.500 0.211 0.000 2.694 267 R HA 0.197 4.542 4.340 0.009 0.000 0.268 267 R C 1.131 177.449 176.300 0.030 0.000 1.061 267 R CA -0.123 56.053 56.100 0.126 0.000 1.133 267 R CB 0.875 31.219 30.300 0.073 0.000 1.020 267 R HN 0.078 nan 8.270 nan 0.000 0.475 268 K N 1.834 122.119 120.400 -0.192 0.000 2.089 268 K HA -0.235 4.090 4.320 0.009 0.000 0.210 268 K C 1.777 178.301 176.600 -0.128 0.000 1.048 268 K CA 1.986 58.103 56.287 -0.282 0.000 0.926 268 K CB 0.026 32.234 32.500 -0.487 0.000 0.714 268 K HN 0.644 nan 8.250 nan 0.000 0.448 269 E N 0.785 120.930 120.200 -0.092 0.000 2.338 269 E HA -0.127 4.228 4.350 0.009 0.000 0.197 269 E C 1.666 178.250 176.600 -0.027 0.000 1.007 269 E CA 1.148 57.514 56.400 -0.057 0.000 0.849 269 E CB -0.093 29.581 29.700 -0.044 0.000 0.774 269 E HN 0.272 nan 8.360 nan 0.000 0.506 270 A N 1.779 124.598 122.820 -0.001 0.000 2.119 270 A HA -0.096 4.229 4.320 0.009 0.000 0.217 270 A C 1.071 178.648 177.584 -0.012 0.000 1.153 270 A CA 0.865 52.914 52.037 0.019 0.000 0.692 270 A CB -0.496 18.550 19.000 0.077 0.000 0.799 270 A HN 0.285 nan 8.150 nan 0.000 0.458 271 K N 0.521 120.901 120.400 -0.032 0.000 3.071 271 K HA -0.168 4.157 4.320 0.009 0.000 0.262 271 K C 0.328 176.875 176.600 -0.088 0.000 0.977 271 K CA 0.412 56.663 56.287 -0.061 0.000 0.721 271 K CB -1.977 30.487 32.500 -0.060 0.000 1.293 271 K HN 0.785 nan 8.250 nan 0.000 0.475 272 S N -0.778 114.866 115.700 -0.094 0.000 2.655 272 S HA 0.389 4.865 4.470 0.009 0.000 0.265 272 S C 0.946 175.387 174.600 -0.265 0.000 1.240 272 S CA -0.939 57.110 58.200 -0.251 0.000 0.986 272 S CB 1.018 64.055 63.200 -0.271 0.000 0.985 272 S HN 0.299 nan 8.310 nan 0.000 0.562 273 L N 0.367 121.308 121.223 -0.469 0.000 2.653 273 L HA 0.268 4.613 4.340 0.009 0.000 0.231 273 L C 0.594 177.440 176.870 -0.039 0.000 1.153 273 L CA 0.032 54.760 54.840 -0.186 0.000 0.933 273 L CB -0.417 41.537 42.059 -0.175 0.000 1.175 273 L HN 0.617 nan 8.230 nan 0.000 0.473 274 F N -0.610 119.426 119.950 0.143 0.000 2.473 274 F HA 0.052 4.584 4.527 0.009 0.000 0.294 274 F C 1.415 177.323 175.800 0.181 0.000 1.103 274 F CA -0.089 57.977 58.000 0.109 0.000 1.442 274 F CB -0.408 38.631 39.000 0.064 0.000 1.097 274 F HN 0.019 nan 8.300 nan 0.000 0.547 275 T N -1.370 113.374 114.554 0.316 0.000 2.916 275 T HA 0.717 5.072 4.350 0.009 0.000 0.305 275 T C -0.723 173.801 174.700 -0.293 0.000 1.119 275 T CA -1.048 61.021 62.100 -0.052 0.000 1.008 275 T CB 2.985 71.692 68.868 -0.269 0.000 1.129 275 T HN -0.191 nan 8.240 nan 0.000 0.480 276 R N 1.147 121.278 120.500 -0.614 0.000 2.628 276 R HA 0.425 4.771 4.340 0.009 0.000 0.288 276 R C -1.763 174.087 176.300 -0.750 0.000 0.980 276 R CA -0.739 54.929 56.100 -0.719 0.000 0.891 276 R CB 1.817 31.475 30.300 -1.070 0.000 1.188 276 R HN 0.776 nan 8.270 nan 0.000 0.450 277 Y N 2.408 122.426 120.300 -0.470 0.000 2.331 277 Y HA 0.481 5.036 4.550 0.008 0.000 0.338 277 Y C 0.602 176.311 175.900 -0.318 0.000 0.976 277 Y CA -0.505 57.323 58.100 -0.453 0.000 1.137 277 Y CB 1.297 39.432 38.460 -0.542 0.000 1.172 277 Y HN 0.335 nan 8.280 nan 0.000 0.478 278 I N 6.658 127.134 120.570 -0.156 0.000 2.330 278 I HA 0.328 4.503 4.170 0.009 0.000 0.289 278 I C -2.406 173.717 176.117 0.009 0.000 1.001 278 I CA -2.438 58.802 61.300 -0.100 0.000 1.193 278 I CB 1.505 39.419 38.000 -0.144 0.000 1.345 278 I HN 0.336 nan 8.210 nan 0.000 0.461 279 P HA 0.209 nan 4.420 nan 0.000 0.268 279 P C -0.867 176.456 177.300 0.039 0.000 1.204 279 P CA 0.137 63.272 63.100 0.059 0.000 0.768 279 P CB 0.630 32.350 31.700 0.033 0.000 0.842 280 I N 1.218 121.816 120.570 0.046 0.000 2.644 280 I HA 0.426 4.601 4.170 0.009 0.000 0.291 280 I C -0.189 175.940 176.117 0.021 0.000 1.180 280 I CA -1.219 60.097 61.300 0.025 0.000 1.040 280 I CB 1.734 39.748 38.000 0.025 0.000 1.255 280 I HN 0.281 nan 8.210 nan 0.000 0.422 281 A N 5.105 127.933 122.820 0.013 0.000 2.310 281 A HA 0.769 5.095 4.320 0.009 0.000 0.299 281 A C -0.277 177.313 177.584 0.010 0.000 1.147 281 A CA -0.282 51.761 52.037 0.011 0.000 0.818 281 A CB 0.655 19.660 19.000 0.007 0.000 1.096 281 A HN 0.726 nan 8.150 nan 0.000 0.495 282 N N 1.403 120.110 118.700 0.013 0.000 2.578 282 N HA 0.153 4.898 4.740 0.009 0.000 0.282 282 N C -1.136 174.388 175.510 0.022 0.000 1.119 282 N CA -0.356 52.703 53.050 0.015 0.000 0.948 282 N CB 0.594 39.086 38.487 0.008 0.000 1.546 282 N HN 0.547 nan 8.380 nan 0.000 0.525 283 N N 1.070 119.798 118.700 0.046 0.000 2.705 283 N HA -0.128 4.617 4.740 0.009 0.000 0.255 283 N C -2.611 172.953 175.510 0.091 0.000 1.008 283 N CA 0.632 53.738 53.050 0.092 0.000 0.742 283 N CB -0.632 37.877 38.487 0.037 0.000 0.906 283 N HN 0.554 nan 8.380 nan 0.000 0.541 284 P HA 0.003 nan 4.420 nan 0.000 0.270 284 P C 0.411 177.819 177.300 0.179 0.000 1.223 284 P CA 0.433 63.590 63.100 0.094 0.000 0.785 284 P CB 1.086 32.825 31.700 0.064 0.000 0.923 285 H N 0.961 120.033 119.070 0.003 0.000 4.025 285 H HA 0.320 4.881 4.556 0.009 0.000 0.129 285 H C 0.751 176.073 175.328 -0.011 0.000 1.189 285 H CA 0.747 56.791 56.048 -0.006 0.000 1.007 285 H CB -0.287 29.397 29.762 -0.130 0.000 1.335 285 H HN 0.486 nan 8.280 nan 0.000 0.302 286 G N 0.382 108.972 108.800 -0.350 0.000 2.414 286 G HA2 0.268 4.233 3.960 0.009 0.000 0.236 286 G HA3 0.268 4.233 3.960 0.009 0.000 0.236 286 G C -0.641 174.269 174.900 0.016 0.000 1.293 286 G CA 0.362 45.327 45.100 -0.225 0.000 0.869 286 G HN 0.554 nan 8.290 nan 0.000 0.556 287 C N 3.257 122.623 119.300 0.110 0.000 2.534 287 C HA 0.552 5.017 4.460 0.009 0.000 0.309 287 C C -0.376 174.752 174.990 0.231 0.000 1.072 287 C CA -1.234 57.875 59.018 0.152 0.000 1.441 287 C CB -1.205 26.633 27.740 0.164 0.000 1.906 287 C HN 0.756 nan 8.230 nan 0.000 0.429 288 N N 4.324 123.185 118.700 0.269 0.000 2.448 288 N HA 0.505 5.250 4.740 0.009 0.000 0.279 288 N C -0.697 175.091 175.510 0.463 0.000 1.025 288 N CA -0.407 52.887 53.050 0.406 0.000 0.898 288 N CB 1.558 40.304 38.487 0.433 0.000 1.303 288 N HN 0.591 nan 8.380 nan 0.000 0.495 289 M N 2.976 122.802 119.600 0.376 0.000 2.162 289 M HA 0.505 4.990 4.480 0.009 0.000 0.356 289 M C -0.481 175.808 176.300 -0.018 0.000 1.303 289 M CA -0.373 55.054 55.300 0.212 0.000 1.116 289 M CB 0.565 33.342 32.600 0.295 0.000 1.632 289 M HN 0.615 nan 8.290 nan 0.000 0.469 290 A N 7.550 130.108 122.820 -0.437 0.000 2.340 290 A HA 0.598 4.923 4.320 0.009 0.000 0.268 290 A C -1.864 175.489 177.584 -0.385 0.000 1.100 290 A CA -1.249 50.123 52.037 -1.109 0.000 0.803 290 A CB -0.258 18.153 19.000 -0.980 0.000 1.043 290 A HN 0.794 nan 8.150 nan 0.000 0.488 291 P HA -0.113 nan 4.420 nan 0.000 0.234 291 P C 0.290 177.365 177.300 -0.376 0.000 1.167 291 P CA 1.146 64.092 63.100 -0.257 0.000 0.763 291 P CB -0.031 31.624 31.700 -0.075 0.000 0.835 292 D N 0.006 120.226 120.400 -0.301 0.000 2.371 292 D HA -0.147 4.498 4.640 0.009 0.000 0.221 292 D C 0.891 177.006 176.300 -0.308 0.000 0.986 292 D CA 0.269 54.119 54.000 -0.249 0.000 0.899 292 D CB -0.536 40.179 40.800 -0.142 0.000 0.902 292 D HN 0.098 nan 8.370 nan 0.000 0.530 293 R N -1.470 118.808 120.500 -0.368 0.000 3.840 293 R HA -0.194 4.151 4.340 0.009 0.000 0.464 293 R C 0.989 177.183 176.300 -0.176 0.000 0.986 293 R CA 1.546 57.476 56.100 -0.283 0.000 1.305 293 R CB -1.781 28.308 30.300 -0.352 0.000 1.950 293 R HN 0.312 nan 8.270 nan 0.000 0.526 294 K N -0.457 119.751 120.400 -0.320 0.000 2.403 294 K HA 0.173 4.498 4.320 0.009 0.000 0.199 294 K C 0.265 176.511 176.600 -0.590 0.000 1.199 294 K CA 0.218 56.197 56.287 -0.513 0.000 0.924 294 K CB 0.468 32.482 32.500 -0.810 0.000 1.137 294 K HN 0.160 nan 8.250 nan 0.000 0.510 295 H N 0.866 119.843 119.070 -0.155 0.000 2.476 295 H HA 0.251 4.812 4.556 0.008 0.000 0.328 295 H C -1.105 174.133 175.328 -0.151 0.000 1.073 295 H CA -0.869 55.084 56.048 -0.158 0.000 1.229 295 H CB 1.683 31.370 29.762 -0.125 0.000 1.432 295 H HN -0.062 nan 8.280 nan 0.000 0.477 296 L N 3.457 124.661 121.223 -0.032 0.000 2.287 296 L HA 0.333 4.678 4.340 0.009 0.000 0.287 296 L C -0.768 176.139 176.870 0.061 0.000 1.022 296 L CA -0.380 54.419 54.840 -0.068 0.000 0.814 296 L CB 0.595 42.450 42.059 -0.341 0.000 1.217 296 L HN 0.603 nan 8.230 nan 0.000 0.420 297 C N 4.945 124.366 119.300 0.201 0.000 2.273 297 C HA 0.647 5.112 4.460 0.009 0.000 0.328 297 C C -0.020 175.083 174.990 0.188 0.000 1.275 297 C CA -0.910 58.269 59.018 0.269 0.000 1.704 297 C CB 0.615 28.642 27.740 0.480 0.000 2.326 297 C HN 0.576 nan 8.230 nan 0.000 0.517 298 V N 3.870 123.853 119.914 0.115 0.000 2.384 298 V HA 0.612 4.737 4.120 0.009 0.000 0.287 298 V C 0.520 176.649 176.094 0.059 0.000 1.020 298 V CA -0.264 62.080 62.300 0.072 0.000 0.850 298 V CB 1.398 33.242 31.823 0.034 0.000 0.987 298 V HN 1.009 nan 8.190 nan 0.000 0.436 299 A N 3.532 126.381 122.820 0.048 0.000 2.366 299 A HA 0.603 4.928 4.320 0.009 0.000 0.272 299 A C 1.406 179.002 177.584 0.020 0.000 1.135 299 A CA 0.268 52.322 52.037 0.028 0.000 0.804 299 A CB 0.832 19.831 19.000 -0.002 0.000 1.064 299 A HN 1.074 nan 8.150 nan 0.000 0.499 300 G N 0.863 109.666 108.800 0.005 0.000 2.572 300 G HA2 0.005 3.970 3.960 0.009 0.000 0.216 300 G HA3 0.005 3.970 3.960 0.009 0.000 0.216 300 G C 1.097 175.999 174.900 0.003 0.000 1.133 300 G CA 0.820 45.921 45.100 0.002 0.000 0.791 300 G HN 1.062 nan 8.290 nan 0.000 0.538 301 K N -1.142 119.257 120.400 -0.001 0.000 9.541 301 K HA -0.348 3.977 4.320 0.009 0.000 0.451 301 K C 1.896 178.484 176.600 -0.019 0.000 0.496 301 K CA 2.339 58.611 56.287 -0.025 0.000 1.598 301 K CB -1.396 31.065 32.500 -0.064 0.000 0.800 301 K HN 0.223 nan 8.250 nan 0.000 1.128 302 L N 0.650 121.860 121.223 -0.022 0.000 2.376 302 L HA 0.033 4.378 4.340 0.009 0.000 0.219 302 L C 1.236 178.103 176.870 -0.004 0.000 1.133 302 L CA 0.532 55.364 54.840 -0.013 0.000 0.816 302 L CB 0.005 42.055 42.059 -0.015 0.000 0.933 302 L HN 0.257 nan 8.230 nan 0.000 0.449 303 S N 0.794 116.491 115.700 -0.005 0.000 2.508 303 S HA 0.328 4.803 4.470 0.009 0.000 0.284 303 S C -2.076 172.516 174.600 -0.015 0.000 1.192 303 S CA -1.499 56.696 58.200 -0.008 0.000 1.070 303 S CB 1.182 64.377 63.200 -0.008 0.000 1.004 303 S HN -0.073 nan 8.310 nan 0.000 0.493 304 P HA 0.196 nan 4.420 nan 0.000 0.235 304 P C -0.409 176.853 177.300 -0.062 0.000 1.725 304 P CA -0.123 62.960 63.100 -0.028 0.000 0.894 304 P CB -0.772 30.915 31.700 -0.022 0.000 1.704 305 T N -3.586 110.925 114.554 -0.070 0.000 2.883 305 T HA 0.555 4.910 4.350 0.009 0.000 0.296 305 T C -0.715 173.913 174.700 -0.120 0.000 1.117 305 T CA -0.826 61.204 62.100 -0.117 0.000 1.006 305 T CB 1.638 70.453 68.868 -0.088 0.000 1.191 305 T HN -0.196 nan 8.240 nan 0.000 0.508 306 V N 1.407 121.205 119.914 -0.193 0.000 2.495 306 V HA 0.564 4.689 4.120 0.009 0.000 0.298 306 V C 0.074 176.099 176.094 -0.115 0.000 1.031 306 V CA -0.661 61.569 62.300 -0.117 0.000 0.871 306 V CB 1.987 33.753 31.823 -0.096 0.000 0.988 306 V HN 1.145 nan 8.190 nan 0.000 0.432 307 T N 4.409 118.934 114.554 -0.048 0.000 2.744 307 T HA 0.466 4.821 4.350 0.009 0.000 0.291 307 T C -0.217 174.469 174.700 -0.023 0.000 0.957 307 T CA -0.235 61.826 62.100 -0.065 0.000 1.002 307 T CB 1.200 70.042 68.868 -0.044 0.000 0.919 307 T HN 0.354 nan 8.240 nan 0.000 0.468 308 V N 5.847 125.725 119.914 -0.060 0.000 2.394 308 V HA 0.441 4.566 4.120 0.009 0.000 0.282 308 V C -0.036 176.028 176.094 -0.050 0.000 1.031 308 V CA -0.722 61.574 62.300 -0.007 0.000 0.881 308 V CB 0.924 32.741 31.823 -0.009 0.000 0.982 308 V HN 0.708 nan 8.190 nan 0.000 0.451 309 L N 3.622 124.840 121.223 -0.009 0.000 2.334 309 L HA 0.583 4.928 4.340 0.009 0.000 0.276 309 L C -0.325 176.508 176.870 -0.062 0.000 1.014 309 L CA -0.655 54.170 54.840 -0.023 0.000 0.815 309 L CB 1.942 44.024 42.059 0.039 0.000 1.268 309 L HN 0.499 nan 8.230 nan 0.000 0.428 310 D N 1.578 121.911 120.400 -0.111 0.000 2.380 310 D HA 0.131 4.776 4.640 0.009 0.000 0.230 310 D C 0.930 176.858 176.300 -0.619 0.000 1.154 310 D CA -0.411 53.464 54.000 -0.208 0.000 0.859 310 D CB 1.908 42.665 40.800 -0.073 0.000 1.045 310 D HN 0.373 nan 8.370 nan 0.000 0.495 311 V N 2.319 121.755 119.914 -0.797 0.000 2.720 311 V HA -0.165 3.961 4.120 0.009 0.000 0.256 311 V C 1.907 177.588 176.094 -0.688 0.000 1.082 311 V CA 2.077 63.578 62.300 -1.331 0.000 1.101 311 V CB -1.503 29.949 31.823 -0.618 0.000 0.693 311 V HN 0.659 nan 8.190 nan 0.000 0.479 312 T N -2.284 112.075 114.554 -0.325 0.000 3.051 312 T HA -0.050 4.305 4.350 0.009 0.000 0.269 312 T C 1.545 176.218 174.700 -0.045 0.000 1.127 312 T CA 1.311 63.357 62.100 -0.090 0.000 1.107 312 T CB -0.515 68.309 68.868 -0.072 0.000 0.898 312 T HN 0.619 nan 8.240 nan 0.000 0.517 313 K N -0.476 119.839 120.400 -0.142 0.000 2.404 313 K HA 0.242 4.567 4.320 0.009 0.000 0.194 313 K C 0.901 177.585 176.600 0.141 0.000 1.023 313 K CA -0.159 56.129 56.287 0.001 0.000 1.094 313 K CB 0.044 32.540 32.500 -0.007 0.000 0.841 313 K HN 0.261 nan 8.250 nan 0.000 0.523 314 F N 2.040 121.938 119.950 -0.087 0.000 2.206 314 F HA -0.119 4.413 4.527 0.008 0.000 0.298 314 F C 1.838 177.696 175.800 0.098 0.000 1.090 314 F CA 0.681 58.549 58.000 -0.221 0.000 1.323 314 F CB -0.573 37.897 39.000 -0.883 0.000 1.028 314 F HN 0.044 nan 8.300 nan 0.000 0.492 315 D N 0.273 120.983 120.400 0.517 0.000 2.123 315 D HA -0.166 4.479 4.640 0.009 0.000 0.196 315 D C 2.349 178.941 176.300 0.486 0.000 0.992 315 D CA 1.548 55.940 54.000 0.654 0.000 0.833 315 D CB -0.331 40.802 40.800 0.555 0.000 0.954 315 D HN 0.217 nan 8.370 nan 0.000 0.455 316 A N 0.681 123.685 122.820 0.305 0.000 2.019 316 A HA -0.105 4.220 4.320 0.009 0.000 0.219 316 A C 2.421 180.074 177.584 0.115 0.000 1.164 316 A CA 0.687 52.844 52.037 0.201 0.000 0.644 316 A CB -0.620 18.459 19.000 0.131 0.000 0.805 316 A HN 0.227 nan 8.150 nan 0.000 0.449 317 L N -2.307 118.954 121.223 0.064 0.000 2.131 317 L HA -0.152 4.193 4.340 0.009 0.000 0.210 317 L C 2.319 179.014 176.870 -0.293 0.000 1.092 317 L CA 1.249 55.998 54.840 -0.151 0.000 0.759 317 L CB -0.538 41.334 42.059 -0.311 0.000 0.903 317 L HN 0.394 nan 8.230 nan 0.000 0.435 318 F N -1.876 117.948 119.950 -0.210 0.000 2.317 318 F HA -0.057 4.475 4.527 0.008 0.000 0.293 318 F C 1.748 177.249 175.800 -0.498 0.000 1.085 318 F CA 0.951 58.669 58.000 -0.471 0.000 1.390 318 F CB -0.100 38.422 39.000 -0.797 0.000 1.077 318 F HN -0.096 nan 8.300 nan 0.000 0.517 319 Y N -1.860 118.578 120.300 0.231 0.000 2.453 319 Y HA 0.184 4.739 4.550 0.009 0.000 0.247 319 Y C 0.566 176.517 175.900 0.085 0.000 1.124 319 Y CA -0.231 57.954 58.100 0.142 0.000 1.243 319 Y CB 0.505 39.053 38.460 0.145 0.000 1.213 319 Y HN -0.068 nan 8.280 nan 0.000 0.523 320 D N -0.756 119.753 120.400 0.181 0.000 2.582 320 D HA 0.032 4.677 4.640 0.009 0.000 0.246 320 D C -0.142 176.191 176.300 0.055 0.000 1.334 320 D CA 0.083 54.153 54.000 0.117 0.000 0.805 320 D CB 0.212 41.087 40.800 0.125 0.000 1.087 320 D HN 0.048 nan 8.370 nan 0.000 0.499 321 N N 1.164 119.877 118.700 0.021 0.000 2.714 321 N HA -0.183 4.562 4.740 0.009 0.000 0.250 321 N C -0.128 175.365 175.510 -0.027 0.000 1.117 321 N CA 0.747 53.785 53.050 -0.019 0.000 0.719 321 N CB -1.063 37.419 38.487 -0.008 0.000 1.081 321 N HN 0.390 nan 8.380 nan 0.000 0.557 322 A N 0.101 122.909 122.820 -0.021 0.000 2.425 322 A HA 0.298 4.623 4.320 0.009 0.000 0.242 322 A C 0.552 178.106 177.584 -0.050 0.000 1.077 322 A CA -0.065 51.961 52.037 -0.018 0.000 0.781 322 A CB 0.315 19.319 19.000 0.006 0.000 1.020 322 A HN 0.401 nan 8.150 nan 0.000 0.494 323 E N 1.485 121.663 120.200 -0.036 0.000 2.373 323 E HA 0.201 4.556 4.350 0.009 0.000 0.267 323 E C -1.597 174.969 176.600 -0.057 0.000 1.032 323 E CA -1.515 54.857 56.400 -0.047 0.000 0.889 323 E CB 0.749 30.432 29.700 -0.027 0.000 0.984 323 E HN 0.400 nan 8.360 nan 0.000 0.425 324 P HA -0.200 nan 4.420 nan 0.000 0.215 324 P C 0.645 177.916 177.300 -0.049 0.000 1.157 324 P CA 1.244 64.284 63.100 -0.100 0.000 0.874 324 P CB 0.246 31.881 31.700 -0.109 0.000 0.790 325 R N -0.093 120.394 120.500 -0.022 0.000 2.328 325 R HA 0.000 4.345 4.340 0.009 0.000 0.207 325 R C 2.116 178.435 176.300 0.031 0.000 1.056 325 R CA 1.175 57.280 56.100 0.009 0.000 1.016 325 R CB -1.303 29.011 30.300 0.024 0.000 0.872 325 R HN 0.358 nan 8.270 nan 0.000 0.471 326 S N 0.384 116.098 115.700 0.023 0.000 2.440 326 S HA -0.097 4.379 4.470 0.009 0.000 0.238 326 S C 1.933 176.563 174.600 0.049 0.000 1.010 326 S CA 1.041 59.264 58.200 0.039 0.000 0.972 326 S CB -0.024 63.192 63.200 0.027 0.000 0.774 326 S HN 0.313 nan 8.310 nan 0.000 0.501 327 A N 0.752 123.605 122.820 0.056 0.000 2.208 327 A HA 0.460 4.785 4.320 0.009 0.000 0.209 327 A C 0.752 178.357 177.584 0.034 0.000 1.161 327 A CA 0.015 52.099 52.037 0.078 0.000 0.782 327 A CB -0.267 18.872 19.000 0.233 0.000 0.816 327 A HN 0.405 nan 8.150 nan 0.000 0.477 328 V N 1.212 121.134 119.914 0.014 0.000 2.488 328 V HA 0.204 4.329 4.120 0.009 0.000 0.277 328 V C 1.235 177.255 176.094 -0.122 0.000 1.046 328 V CA 0.467 62.726 62.300 -0.068 0.000 0.986 328 V CB 1.217 32.998 31.823 -0.069 0.000 0.989 328 V HN 0.429 nan 8.190 nan 0.000 0.475 329 V N 1.494 121.267 119.914 -0.235 0.000 3.502 329 V HA 0.835 4.960 4.120 0.009 0.000 0.288 329 V C 0.419 176.214 176.094 -0.500 0.000 1.461 329 V CA 0.549 62.719 62.300 -0.218 0.000 1.029 329 V CB 0.130 31.919 31.823 -0.055 0.000 0.843 329 V HN 0.960 nan 8.190 nan 0.000 0.438 330 A N 0.116 122.490 122.820 -0.744 0.000 2.608 330 A HA 0.813 5.138 4.320 0.009 0.000 0.292 330 A C -0.821 176.404 177.584 -0.598 0.000 1.066 330 A CA -0.114 51.489 52.037 -0.723 0.000 0.676 330 A CB 1.707 20.573 19.000 -0.223 0.000 1.277 330 A HN 0.254 nan 8.150 nan 0.000 0.413 331 E N 1.329 121.314 120.200 -0.359 0.000 3.711 331 E HA 0.264 4.619 4.350 0.009 0.000 0.267 331 E C -2.735 173.789 176.600 -0.128 0.000 1.198 331 E CA -1.271 55.016 56.400 -0.189 0.000 1.150 331 E CB 0.900 30.544 29.700 -0.093 0.000 1.297 331 E HN 0.549 nan 8.360 nan 0.000 0.399 332 P HA 0.004 nan 4.420 nan 0.000 0.268 332 P C -0.426 176.725 177.300 -0.248 0.000 1.204 332 P CA 0.017 62.964 63.100 -0.255 0.000 0.768 332 P CB 0.900 32.317 31.700 -0.471 0.000 0.842 333 E N 2.711 122.819 120.200 -0.155 0.000 2.217 333 E HA 0.120 4.476 4.350 0.009 0.000 0.279 333 E C 0.200 176.706 176.600 -0.157 0.000 1.068 333 E CA -0.229 56.094 56.400 -0.128 0.000 0.882 333 E CB 0.014 29.672 29.700 -0.070 0.000 1.039 333 E HN 0.418 nan 8.360 nan 0.000 0.418 334 L N 3.724 124.840 121.223 -0.177 0.000 2.537 334 L HA 0.467 4.813 4.340 0.009 0.000 0.224 334 L C 1.027 177.849 176.870 -0.080 0.000 1.065 334 L CA 0.385 55.118 54.840 -0.178 0.000 0.860 334 L CB 0.477 42.365 42.059 -0.284 0.000 1.086 334 L HN 0.766 nan 8.230 nan 0.000 0.482 335 G N -0.124 108.642 108.800 -0.055 0.000 2.362 335 G HA2 0.085 4.050 3.960 0.009 0.000 0.288 335 G HA3 0.085 4.050 3.960 0.009 0.000 0.288 335 G C -1.548 173.353 174.900 0.001 0.000 1.305 335 G CA -1.041 44.050 45.100 -0.016 0.000 0.910 335 G HN -0.116 nan 8.290 nan 0.000 0.518 336 L N 1.453 122.689 121.223 0.022 0.000 2.315 336 L HA 0.480 4.825 4.340 0.009 0.000 0.283 336 L C 1.398 178.312 176.870 0.073 0.000 1.089 336 L CA 0.958 55.821 54.840 0.039 0.000 0.833 336 L CB 0.784 42.868 42.059 0.042 0.000 1.170 336 L HN 2.074 nan 8.230 nan 0.000 0.442 337 G N 3.314 112.156 108.800 0.070 0.000 2.303 337 G HA2 -0.149 3.816 3.960 0.009 0.000 0.260 337 G HA3 -0.149 3.816 3.960 0.009 0.000 0.260 337 G C -2.495 172.467 174.900 0.103 0.000 1.106 337 G CA -0.998 44.165 45.100 0.104 0.000 0.900 337 G HN 0.417 nan 8.290 nan 0.000 0.495 338 P HA 0.316 nan 4.420 nan 0.000 0.271 338 P C 0.980 178.301 177.300 0.036 0.000 1.226 338 P CA -0.110 63.025 63.100 0.058 0.000 0.765 338 P CB 1.098 32.811 31.700 0.022 0.000 0.835 339 L N 2.366 123.617 121.223 0.046 0.000 2.526 339 L HA 0.236 4.582 4.340 0.009 0.000 0.210 339 L C 0.975 177.611 176.870 -0.390 0.000 1.048 339 L CA 0.543 55.341 54.840 -0.070 0.000 0.852 339 L CB -0.040 42.048 42.059 0.049 0.000 1.128 339 L HN 0.470 nan 8.230 nan 0.000 0.482 340 H N -1.050 118.082 119.070 0.105 0.000 3.016 340 H HA 0.452 5.013 4.556 0.008 0.000 0.362 340 H C -1.192 174.188 175.328 0.086 0.000 1.233 340 H CA -0.425 55.662 56.048 0.066 0.000 1.124 340 H CB 2.376 32.140 29.762 0.004 0.000 1.850 340 H HN -0.199 nan 8.280 nan 0.000 0.549 341 T N 1.051 115.712 114.554 0.178 0.000 2.886 341 T HA 0.668 5.023 4.350 0.009 0.000 0.292 341 T C -0.399 174.149 174.700 -0.253 0.000 1.012 341 T CA -0.637 61.460 62.100 -0.005 0.000 0.982 341 T CB 1.962 70.832 68.868 0.003 0.000 1.018 341 T HN 0.719 nan 8.240 nan 0.000 0.451 342 A N 2.303 124.919 122.820 -0.339 0.000 2.386 342 A HA 0.982 5.307 4.320 0.009 0.000 0.308 342 A C -1.593 175.653 177.584 -0.563 0.000 1.128 342 A CA -0.785 51.020 52.037 -0.386 0.000 0.789 342 A CB 1.079 20.055 19.000 -0.040 0.000 1.325 342 A HN 0.723 nan 8.150 nan 0.000 0.437 343 F N 0.677 120.751 119.950 0.206 0.000 2.547 343 F HA 0.412 4.945 4.527 0.009 0.000 0.316 343 F C 0.096 175.997 175.800 0.168 0.000 1.121 343 F CA -0.705 57.395 58.000 0.167 0.000 0.911 343 F CB 2.109 41.167 39.000 0.098 0.000 1.179 343 F HN 0.753 nan 8.300 nan 0.000 0.443 344 D N 0.755 121.386 120.400 0.386 0.000 2.511 344 D HA 0.337 4.982 4.640 0.009 0.000 0.276 344 D C 1.049 177.450 176.300 0.168 0.000 1.220 344 D CA -0.667 53.477 54.000 0.241 0.000 1.077 344 D CB 0.475 41.428 40.800 0.256 0.000 1.126 344 D HN 0.586 nan 8.370 nan 0.000 0.583 345 G N -1.609 107.253 108.800 0.103 0.000 3.314 345 G HA2 0.046 4.011 3.960 0.009 0.000 0.238 345 G HA3 0.046 4.011 3.960 0.009 0.000 0.238 345 G C 0.724 175.649 174.900 0.042 0.000 1.184 345 G CA -0.385 44.752 45.100 0.062 0.000 0.806 345 G HN 0.334 nan 8.290 nan 0.000 0.536 346 R N -0.591 119.940 120.500 0.052 0.000 2.596 346 R HA 0.285 4.631 4.340 0.009 0.000 0.369 346 R C 1.392 177.697 176.300 0.007 0.000 1.042 346 R CA 0.295 56.412 56.100 0.028 0.000 1.120 346 R CB 0.853 31.175 30.300 0.036 0.000 1.353 346 R HN 0.239 nan 8.270 nan 0.000 0.564 347 G N 1.156 109.959 108.800 0.005 0.000 2.143 347 G HA2 -0.248 3.718 3.960 0.009 0.000 0.249 347 G HA3 -0.248 3.718 3.960 0.009 0.000 0.249 347 G C -0.293 174.557 174.900 -0.084 0.000 0.981 347 G CA -0.246 44.836 45.100 -0.031 0.000 0.665 347 G HN 0.277 nan 8.290 nan 0.000 0.528 348 N N 0.600 119.253 118.700 -0.078 0.000 2.508 348 N HA 0.690 5.435 4.740 0.009 0.000 0.285 348 N C 0.163 175.481 175.510 -0.320 0.000 1.144 348 N CA 0.512 53.401 53.050 -0.267 0.000 0.978 348 N CB 1.776 40.086 38.487 -0.295 0.000 1.180 348 N HN 0.701 nan 8.380 nan 0.000 0.484 349 A N 1.259 123.610 122.820 -0.782 0.000 2.355 349 A HA 0.694 5.019 4.320 0.009 0.000 0.324 349 A C -1.602 175.409 177.584 -0.955 0.000 1.117 349 A CA -0.547 50.985 52.037 -0.842 0.000 0.785 349 A CB 0.687 18.870 19.000 -1.362 0.000 1.254 349 A HN 0.619 nan 8.150 nan 0.000 0.453 350 Y N 0.432 120.574 120.300 -0.263 0.000 2.326 350 Y HA 0.528 5.083 4.550 0.008 0.000 0.329 350 Y C 0.263 176.197 175.900 0.057 0.000 0.973 350 Y CA -0.340 57.739 58.100 -0.035 0.000 1.162 350 Y CB 2.507 40.950 38.460 -0.029 0.000 1.147 350 Y HN 0.550 nan 8.280 nan 0.000 0.456 351 T N 2.376 117.114 114.554 0.306 0.000 2.792 351 T HA 0.338 4.693 4.350 0.009 0.000 0.280 351 T C -0.383 174.447 174.700 0.216 0.000 0.990 351 T CA -1.047 61.219 62.100 0.277 0.000 0.960 351 T CB 0.795 69.873 68.868 0.350 0.000 0.939 351 T HN 0.602 nan 8.240 nan 0.000 0.439 352 S N 3.814 119.636 115.700 0.203 0.000 2.528 352 S HA 0.444 4.919 4.470 0.009 0.000 0.277 352 S C -0.118 174.584 174.600 0.171 0.000 1.297 352 S CA -0.829 57.485 58.200 0.191 0.000 1.052 352 S CB -0.051 63.285 63.200 0.226 0.000 0.917 352 S HN 0.578 nan 8.310 nan 0.000 0.492 353 L N 4.180 125.491 121.223 0.148 0.000 2.283 353 L HA 0.393 4.739 4.340 0.009 0.000 0.281 353 L C 0.690 177.653 176.870 0.156 0.000 1.033 353 L CA -0.626 54.293 54.840 0.132 0.000 0.848 353 L CB 0.550 42.662 42.059 0.087 0.000 1.226 353 L HN 0.786 nan 8.230 nan 0.000 0.429 354 F N 2.882 122.862 119.950 0.049 0.000 2.102 354 F HA -0.176 4.355 4.527 0.008 0.000 0.298 354 F C 1.740 177.578 175.800 0.064 0.000 1.105 354 F CA 1.753 59.783 58.000 0.050 0.000 1.239 354 F CB 0.229 39.241 39.000 0.020 0.000 0.991 354 F HN 0.383 nan 8.300 nan 0.000 0.474 355 L N -0.481 120.836 121.223 0.157 0.000 2.068 355 L HA -0.140 4.205 4.340 0.009 0.000 0.204 355 L C 1.974 178.851 176.870 0.012 0.000 1.076 355 L CA 1.157 56.044 54.840 0.078 0.000 0.753 355 L CB -0.737 41.403 42.059 0.135 0.000 0.910 355 L HN -0.035 nan 8.230 nan 0.000 0.439 356 D N -0.219 120.201 120.400 0.034 0.000 2.310 356 D HA -0.130 4.515 4.640 0.009 0.000 0.212 356 D C 1.107 177.419 176.300 0.020 0.000 0.965 356 D CA 0.662 54.678 54.000 0.027 0.000 0.879 356 D CB 0.020 40.842 40.800 0.036 0.000 0.921 356 D HN 0.131 nan 8.370 nan 0.000 0.510 357 S N -0.133 115.565 115.700 -0.003 0.000 3.697 357 S HA -0.224 4.251 4.470 0.009 0.000 0.388 357 S C -0.271 174.346 174.600 0.028 0.000 0.941 357 S CA 0.485 58.684 58.200 -0.003 0.000 1.247 357 S CB -1.148 62.072 63.200 0.034 0.000 0.904 357 S HN 0.389 nan 8.310 nan 0.000 0.518 358 Q N -0.241 119.586 119.800 0.046 0.000 2.501 358 Q HA 0.694 5.039 4.340 0.009 0.000 0.288 358 Q C -0.971 175.084 176.000 0.091 0.000 1.051 358 Q CA -1.038 54.802 55.803 0.061 0.000 0.788 358 Q CB 2.087 30.861 28.738 0.061 0.000 1.469 358 Q HN 0.227 nan 8.270 nan 0.000 0.416 359 V N 1.423 121.401 119.914 0.108 0.000 2.435 359 V HA 0.437 4.562 4.120 0.009 0.000 0.290 359 V C -0.595 175.597 176.094 0.163 0.000 1.030 359 V CA -0.638 61.754 62.300 0.154 0.000 0.881 359 V CB 1.621 33.548 31.823 0.174 0.000 0.983 359 V HN 0.487 nan 8.190 nan 0.000 0.445 360 V N 4.653 124.679 119.914 0.187 0.000 2.417 360 V HA 0.428 4.553 4.120 0.009 0.000 0.291 360 V C 0.043 176.277 176.094 0.234 0.000 1.024 360 V CA -0.918 61.493 62.300 0.185 0.000 0.861 360 V CB 1.576 33.490 31.823 0.152 0.000 0.985 360 V HN 0.846 nan 8.190 nan 0.000 0.436 361 K N 6.456 126.939 120.400 0.137 0.000 2.248 361 K HA 0.418 4.743 4.320 0.009 0.000 0.281 361 K C -1.085 175.552 176.600 0.061 0.000 1.054 361 K CA -0.534 55.694 56.287 -0.099 0.000 0.903 361 K CB 0.950 33.388 32.500 -0.104 0.000 1.077 361 K HN 0.838 nan 8.250 nan 0.000 0.474 362 W N 3.100 124.254 121.300 -0.242 0.000 3.031 362 W HA 0.358 5.023 4.660 0.008 0.000 0.337 362 W C -1.356 175.085 176.519 -0.130 0.000 1.187 362 W CA -1.083 56.180 57.345 -0.136 0.000 1.166 362 W CB 0.241 29.651 29.460 -0.082 0.000 1.437 362 W HN 0.431 nan 8.180 nan 0.000 0.551 363 N N 1.776 120.503 118.700 0.045 0.000 2.426 363 N HA 0.221 4.966 4.740 0.009 0.000 0.275 363 N C 0.829 176.330 175.510 -0.014 0.000 1.019 363 N CA -0.247 52.756 53.050 -0.078 0.000 0.941 363 N CB 1.349 39.828 38.487 -0.012 0.000 1.123 363 N HN 0.488 nan 8.380 nan 0.000 0.486 364 I N 2.453 122.903 120.570 -0.201 0.000 2.179 364 I HA -0.255 3.920 4.170 0.009 0.000 0.242 364 I C 1.471 177.567 176.117 -0.036 0.000 1.088 364 I CA 0.954 62.183 61.300 -0.118 0.000 1.357 364 I CB -0.090 37.776 38.000 -0.223 0.000 1.051 364 I HN 0.510 nan 8.210 nan 0.000 0.409 365 D N 0.901 121.269 120.400 -0.052 0.000 2.123 365 D HA -0.189 4.456 4.640 0.009 0.000 0.196 365 D C 2.120 178.428 176.300 0.014 0.000 0.992 365 D CA 1.285 55.269 54.000 -0.026 0.000 0.833 365 D CB -0.277 40.518 40.800 -0.009 0.000 0.954 365 D HN 0.420 nan 8.370 nan 0.000 0.455 366 E N 0.504 120.726 120.200 0.037 0.000 2.118 366 E HA -0.150 4.205 4.350 0.009 0.000 0.195 366 E C 2.079 178.730 176.600 0.085 0.000 0.992 366 E CA 1.023 57.458 56.400 0.059 0.000 0.804 366 E CB -0.064 29.675 29.700 0.065 0.000 0.741 366 E HN 0.211 nan 8.360 nan 0.000 0.458 367 A N 1.060 123.960 122.820 0.134 0.000 1.930 367 A HA -0.153 4.172 4.320 0.009 0.000 0.217 367 A C 2.143 179.779 177.584 0.086 0.000 1.175 367 A CA 0.956 53.072 52.037 0.132 0.000 0.627 367 A CB -0.470 18.671 19.000 0.236 0.000 0.815 367 A HN 0.133 nan 8.150 nan 0.000 0.443 368 I N -0.984 119.613 120.570 0.045 0.000 2.252 368 I HA -0.255 3.920 4.170 0.009 0.000 0.245 368 I C 2.754 178.923 176.117 0.086 0.000 1.102 368 I CA 1.297 62.614 61.300 0.029 0.000 1.385 368 I CB -0.323 37.646 38.000 -0.052 0.000 1.064 368 I HN 0.280 nan 8.210 nan 0.000 0.414 369 R N 0.798 121.335 120.500 0.062 0.000 2.091 369 R HA -0.168 4.177 4.340 0.009 0.000 0.238 369 R C 2.464 178.805 176.300 0.068 0.000 1.136 369 R CA 1.623 57.758 56.100 0.058 0.000 0.959 369 R CB -0.566 29.759 30.300 0.041 0.000 0.856 369 R HN 0.376 nan 8.270 nan 0.000 0.437 370 A N 0.300 123.167 122.820 0.078 0.000 1.877 370 A HA -0.228 4.097 4.320 0.009 0.000 0.216 370 A C 2.010 179.652 177.584 0.097 0.000 1.186 370 A CA 1.315 53.395 52.037 0.072 0.000 0.620 370 A CB -0.803 18.238 19.000 0.069 0.000 0.822 370 A HN 0.460 nan 8.150 nan 0.000 0.443 371 Y N 0.508 120.802 120.300 -0.009 0.000 2.333 371 Y HA -0.033 4.522 4.550 0.009 0.000 0.290 371 Y C 2.388 178.282 175.900 -0.009 0.000 1.144 371 Y CA 0.948 59.040 58.100 -0.013 0.000 1.228 371 Y CB -0.228 38.223 38.460 -0.015 0.000 0.985 371 Y HN 0.297 nan 8.280 nan 0.000 0.542 372 A N -0.991 121.880 122.820 0.085 0.000 2.238 372 A HA 0.357 4.682 4.320 0.009 0.000 0.208 372 A C 1.842 179.409 177.584 -0.029 0.000 1.177 372 A CA 0.911 52.953 52.037 0.009 0.000 0.804 372 A CB -0.996 18.036 19.000 0.053 0.000 0.823 372 A HN 0.829 nan 8.150 nan 0.000 0.482 373 G N -0.954 107.830 108.800 -0.028 0.000 2.184 373 G HA2 -0.166 3.800 3.960 0.009 0.000 0.206 373 G HA3 -0.166 3.800 3.960 0.009 0.000 0.206 373 G C -0.178 174.715 174.900 -0.011 0.000 0.995 373 G CA 0.006 45.085 45.100 -0.035 0.000 0.651 373 G HN 0.535 nan 8.290 nan 0.000 0.511 374 E N 1.170 121.373 120.200 0.005 0.000 2.384 374 E HA 0.220 4.576 4.350 0.009 0.000 0.266 374 E C 0.082 176.688 176.600 0.010 0.000 1.012 374 E CA -0.065 56.341 56.400 0.010 0.000 0.901 374 E CB 0.510 30.221 29.700 0.018 0.000 0.967 374 E HN -0.002 nan 8.360 nan 0.000 0.435 375 K N 3.685 124.089 120.400 0.006 0.000 2.110 375 K HA 0.251 4.576 4.320 0.009 0.000 0.260 375 K C -0.265 176.343 176.600 0.012 0.000 1.126 375 K CA 0.190 56.481 56.287 0.007 0.000 1.005 375 K CB -0.463 32.039 32.500 0.003 0.000 1.336 375 K HN 0.488 nan 8.250 nan 0.000 0.369 376 I N 1.472 122.053 120.570 0.018 0.000 2.775 376 I HA 0.182 4.358 4.170 0.009 0.000 0.295 376 I C -1.457 174.677 176.117 0.027 0.000 1.287 376 I CA -0.754 60.560 61.300 0.023 0.000 1.029 376 I CB 2.280 40.297 38.000 0.027 0.000 1.282 376 I HN 0.236 nan 8.210 nan 0.000 0.426 377 N N 8.414 127.131 118.700 0.028 0.000 2.457 377 N HA 0.432 5.178 4.740 0.009 0.000 0.250 377 N C -1.977 173.562 175.510 0.049 0.000 0.982 377 N CA -2.322 50.746 53.050 0.031 0.000 0.941 377 N CB 1.567 40.068 38.487 0.024 0.000 1.120 377 N HN 0.363 nan 8.380 nan 0.000 0.505 378 P HA 0.050 nan 4.420 nan 0.000 0.237 378 P C 0.221 177.612 177.300 0.151 0.000 1.178 378 P CA 0.444 63.616 63.100 0.120 0.000 0.766 378 P CB 0.454 32.262 31.700 0.179 0.000 0.876 379 I N 0.916 121.548 120.570 0.104 0.000 2.452 379 I HA 0.049 4.224 4.170 0.009 0.000 0.287 379 I C 1.563 177.728 176.117 0.081 0.000 1.079 379 I CA -0.157 61.209 61.300 0.110 0.000 1.387 379 I CB 0.844 38.876 38.000 0.053 0.000 1.404 379 I HN -0.224 nan 8.210 nan 0.000 0.522 380 K N 3.212 123.661 120.400 0.081 0.000 2.244 380 K HA 0.221 4.546 4.320 0.009 0.000 0.200 380 K C -0.101 176.531 176.600 0.053 0.000 1.052 380 K CA 0.537 56.855 56.287 0.052 0.000 0.980 380 K CB 0.136 32.653 32.500 0.027 0.000 0.838 380 K HN 0.609 nan 8.250 nan 0.000 0.481 381 D N -0.534 119.906 120.400 0.066 0.000 2.648 381 D HA 0.279 4.924 4.640 0.009 0.000 0.244 381 D C -1.731 174.621 176.300 0.086 0.000 1.244 381 D CA -0.443 53.600 54.000 0.072 0.000 0.772 381 D CB 1.372 42.221 40.800 0.081 0.000 1.379 381 D HN -0.250 nan 8.370 nan 0.000 0.428 382 K N 1.398 121.844 120.400 0.077 0.000 2.443 382 K HA 0.598 4.923 4.320 0.009 0.000 0.252 382 K C -1.403 175.242 176.600 0.075 0.000 0.933 382 K CA -0.991 55.344 56.287 0.081 0.000 0.792 382 K CB 2.452 34.989 32.500 0.062 0.000 1.185 382 K HN 0.343 nan 8.250 nan 0.000 0.425 383 L N 2.553 123.826 121.223 0.084 0.000 2.333 383 L HA 0.389 4.734 4.340 0.009 0.000 0.280 383 L C -1.035 175.866 176.870 0.053 0.000 1.004 383 L CA -0.335 54.546 54.840 0.068 0.000 0.820 383 L CB 1.350 43.458 42.059 0.081 0.000 1.247 383 L HN 0.482 nan 8.230 nan 0.000 0.416 384 D N 3.914 124.334 120.400 0.033 0.000 2.424 384 D HA 0.368 5.013 4.640 0.009 0.000 0.244 384 D C -0.075 176.217 176.300 -0.012 0.000 1.134 384 D CA 0.334 54.344 54.000 0.017 0.000 0.881 384 D CB 1.479 42.287 40.800 0.013 0.000 1.191 384 D HN 0.440 nan 8.370 nan 0.000 0.445 385 V N -0.122 119.773 119.914 -0.032 0.000 3.046 385 V HA 0.664 4.790 4.120 0.009 0.000 0.316 385 V C -0.870 175.088 176.094 -0.228 0.000 1.104 385 V CA -0.997 61.250 62.300 -0.089 0.000 1.006 385 V CB 2.040 33.847 31.823 -0.026 0.000 1.058 385 V HN 0.224 nan 8.190 nan 0.000 0.440 386 Q N 1.372 120.934 119.800 -0.396 0.000 2.464 386 Q HA 0.707 5.052 4.340 0.009 0.000 0.256 386 Q C -1.802 173.876 176.000 -0.536 0.000 1.020 386 Q CA 0.061 55.246 55.803 -1.031 0.000 0.716 386 Q CB 1.536 29.549 28.738 -1.208 0.000 1.230 386 Q HN 0.808 nan 8.270 nan 0.000 0.494 387 Y N 0.282 120.616 120.300 0.057 0.000 2.534 387 Y HA 0.461 5.017 4.550 0.009 0.000 0.345 387 Y C -0.369 175.519 175.900 -0.020 0.000 1.031 387 Y CA -1.248 56.874 58.100 0.037 0.000 1.022 387 Y CB 1.952 40.468 38.460 0.094 0.000 1.292 387 Y HN 0.345 nan 8.280 nan 0.000 0.459 388 Q N 0.758 120.552 119.800 -0.010 0.000 2.430 388 Q HA -0.112 4.234 4.340 0.009 0.000 0.333 388 Q C -2.832 173.097 176.000 -0.118 0.000 1.447 388 Q CA -0.012 55.554 55.803 -0.395 0.000 0.852 388 Q CB -1.049 27.320 28.738 -0.614 0.000 1.101 388 Q HN 0.294 nan 8.270 nan 0.000 0.345 389 P HA 0.238 nan 4.420 nan 0.000 0.275 389 P C 0.463 177.943 177.300 0.299 0.000 1.227 389 P CA 0.470 63.658 63.100 0.147 0.000 0.781 389 P CB 1.551 33.327 31.700 0.126 0.000 0.906 390 G N 2.303 111.251 108.800 0.246 0.000 3.198 390 G HA2 0.141 4.106 3.960 0.009 0.000 0.203 390 G HA3 0.141 4.106 3.960 0.009 0.000 0.203 390 G C 0.042 175.087 174.900 0.241 0.000 1.950 390 G CA -0.100 45.165 45.100 0.274 0.000 0.798 390 G HN 0.545 nan 8.290 nan 0.000 0.720 391 H N 0.600 119.695 119.070 0.041 0.000 2.852 391 H HA 0.366 4.927 4.556 0.008 0.000 0.362 391 H C 0.017 175.339 175.328 -0.009 0.000 1.122 391 H CA 0.815 56.763 56.048 -0.167 0.000 1.419 391 H CB 1.006 30.606 29.762 -0.270 0.000 1.401 391 H HN 0.412 nan 8.280 nan 0.000 0.609 392 L N -0.343 120.963 121.223 0.138 0.000 2.465 392 L HA 0.758 5.103 4.340 0.009 0.000 0.257 392 L C -1.211 175.700 176.870 0.069 0.000 0.988 392 L CA -1.113 53.783 54.840 0.093 0.000 0.827 392 L CB 2.587 44.715 42.059 0.113 0.000 1.397 392 L HN 0.318 nan 8.230 nan 0.000 0.410 393 K N 0.968 121.384 120.400 0.027 0.000 2.543 393 K HA 0.595 4.920 4.320 0.009 0.000 0.255 393 K C -0.801 175.809 176.600 0.017 0.000 0.934 393 K CA -0.025 56.280 56.287 0.030 0.000 0.810 393 K CB 2.229 34.733 32.500 0.006 0.000 1.315 393 K HN 0.958 nan 8.250 nan 0.000 0.433 394 T N -0.903 113.669 114.554 0.029 0.000 2.881 394 T HA 0.461 4.816 4.350 0.009 0.000 0.278 394 T C -0.096 174.627 174.700 0.038 0.000 0.982 394 T CA -0.885 61.223 62.100 0.013 0.000 0.989 394 T CB 1.110 69.983 68.868 0.008 0.000 1.058 394 T HN 0.187 nan 8.240 nan 0.000 0.529 395 V N 3.601 123.509 119.914 -0.010 0.000 2.485 395 V HA 0.068 4.194 4.120 0.009 0.000 0.287 395 V C 1.221 177.308 176.094 -0.011 0.000 1.022 395 V CA 0.199 62.442 62.300 -0.095 0.000 1.067 395 V CB -0.752 30.829 31.823 -0.403 0.000 0.967 395 V HN 1.037 nan 8.190 nan 0.000 0.479 396 M N 2.991 122.640 119.600 0.081 0.000 2.612 396 M HA -0.219 4.266 4.480 0.009 0.000 0.194 396 M C 1.469 177.811 176.300 0.071 0.000 0.530 396 M CA 1.007 56.350 55.300 0.072 0.000 0.548 396 M CB -1.651 30.959 32.600 0.016 0.000 2.013 396 M HN 0.806 nan 8.290 nan 0.000 0.711 397 G N 0.350 109.242 108.800 0.153 0.000 2.498 397 G HA2 -0.134 3.831 3.960 0.009 0.000 0.219 397 G HA3 -0.134 3.831 3.960 0.009 0.000 0.219 397 G C 0.992 176.091 174.900 0.331 0.000 1.119 397 G CA 0.846 46.086 45.100 0.233 0.000 0.766 397 G HN 0.715 nan 8.290 nan 0.000 0.552 398 E N 0.106 120.494 120.200 0.314 0.000 2.403 398 E HA 0.159 4.514 4.350 0.009 0.000 0.188 398 E C 0.632 177.478 176.600 0.410 0.000 1.056 398 E CA 0.054 56.696 56.400 0.404 0.000 0.892 398 E CB 0.327 30.320 29.700 0.488 0.000 1.049 398 E HN 0.438 nan 8.360 nan 0.000 0.465 399 T N -3.942 110.777 114.554 0.276 0.000 2.841 399 T HA 0.297 4.652 4.350 0.009 0.000 0.296 399 T C 0.746 175.601 174.700 0.259 0.000 1.166 399 T CA -0.807 61.460 62.100 0.279 0.000 1.007 399 T CB 0.882 69.599 68.868 -0.250 0.000 1.253 399 T HN -0.026 nan 8.240 nan 0.000 0.511 400 L N 0.149 121.525 121.223 0.257 0.000 2.447 400 L HA 0.035 4.380 4.340 0.009 0.000 0.225 400 L C 0.986 177.885 176.870 0.048 0.000 1.148 400 L CA 1.085 55.968 54.840 0.073 0.000 0.808 400 L CB -0.307 41.812 42.059 0.100 0.000 0.928 400 L HN 0.670 nan 8.230 nan 0.000 0.448 401 D N 0.380 120.810 120.400 0.051 0.000 2.427 401 D HA 0.189 4.835 4.640 0.009 0.000 0.224 401 D C 0.768 177.097 176.300 0.049 0.000 1.157 401 D CA 0.012 54.038 54.000 0.044 0.000 0.828 401 D CB 0.271 41.099 40.800 0.046 0.000 0.974 401 D HN 0.083 nan 8.370 nan 0.000 0.498 402 A N 0.847 123.704 122.820 0.063 0.000 2.583 402 A HA 0.324 4.650 4.320 0.009 0.000 0.249 402 A C 0.803 178.428 177.584 0.067 0.000 1.035 402 A CA 0.435 52.524 52.037 0.086 0.000 0.777 402 A CB 0.077 19.156 19.000 0.133 0.000 0.942 402 A HN 0.253 nan 8.150 nan 0.000 0.516 403 A N 2.812 125.661 122.820 0.049 0.000 2.263 403 A HA 0.689 5.014 4.320 0.009 0.000 0.318 403 A C 0.671 178.265 177.584 0.018 0.000 1.111 403 A CA -0.652 51.405 52.037 0.033 0.000 0.901 403 A CB 0.556 19.565 19.000 0.015 0.000 1.280 403 A HN 0.779 nan 8.150 nan 0.000 0.503 404 N N -0.698 117.999 118.700 -0.005 0.000 2.171 404 N HA 0.049 4.794 4.740 0.009 0.000 0.212 404 N C -0.171 175.271 175.510 -0.114 0.000 1.184 404 N CA 0.744 53.778 53.050 -0.027 0.000 0.888 404 N CB 0.496 38.978 38.487 -0.007 0.000 1.038 404 N HN 0.718 nan 8.380 nan 0.000 0.517 405 D N -0.822 119.472 120.400 -0.177 0.000 2.202 405 D HA -0.026 4.619 4.640 0.009 0.000 0.214 405 D C 0.144 176.082 176.300 -0.605 0.000 0.967 405 D CA 0.737 54.459 54.000 -0.463 0.000 0.871 405 D CB -0.215 40.281 40.800 -0.507 0.000 1.020 405 D HN 0.124 nan 8.370 nan 0.000 0.474 406 W N -0.305 120.966 121.300 -0.048 0.000 2.844 406 W HA 0.624 5.289 4.660 0.009 0.000 0.340 406 W C -1.170 175.279 176.519 -0.118 0.000 1.093 406 W CA -1.352 55.959 57.345 -0.057 0.000 1.212 406 W CB 1.932 31.380 29.460 -0.019 0.000 1.422 406 W HN -0.125 nan 8.180 nan 0.000 0.515 407 L N 2.846 124.187 121.223 0.197 0.000 2.410 407 L HA 0.758 5.103 4.340 0.009 0.000 0.270 407 L C -1.403 175.529 176.870 0.105 0.000 0.983 407 L CA -0.779 54.076 54.840 0.026 0.000 0.822 407 L CB 1.830 43.798 42.059 -0.152 0.000 1.285 407 L HN 0.215 nan 8.230 nan 0.000 0.409 408 V N 3.975 123.939 119.914 0.084 0.000 2.398 408 V HA 0.416 4.542 4.120 0.009 0.000 0.286 408 V C -0.438 175.708 176.094 0.087 0.000 1.026 408 V CA -0.553 61.817 62.300 0.116 0.000 0.868 408 V CB 1.446 33.364 31.823 0.158 0.000 0.982 408 V HN 0.915 nan 8.190 nan 0.000 0.443 409 C N 7.266 126.632 119.300 0.109 0.000 2.281 409 C HA 0.668 5.133 4.460 0.009 0.000 0.323 409 C C -0.179 174.878 174.990 0.112 0.000 1.270 409 C CA -0.657 58.422 59.018 0.101 0.000 1.559 409 C CB -0.444 27.353 27.740 0.095 0.000 2.239 409 C HN 0.796 nan 8.230 nan 0.000 0.488 410 L N 7.082 128.365 121.223 0.100 0.000 2.328 410 L HA 0.323 4.668 4.340 0.009 0.000 0.280 410 L C 0.455 177.379 176.870 0.091 0.000 1.111 410 L CA 0.305 55.205 54.840 0.099 0.000 0.909 410 L CB -0.202 41.883 42.059 0.045 0.000 1.277 410 L HN 0.665 nan 8.230 nan 0.000 0.433 411 C N 2.385 121.738 119.300 0.089 0.000 2.534 411 C HA 0.257 4.722 4.460 0.009 0.000 0.385 411 C C 1.766 176.771 174.990 0.025 0.000 1.264 411 C CA -0.740 58.316 59.018 0.063 0.000 2.342 411 C CB 0.939 28.713 27.740 0.057 0.000 2.564 411 C HN 0.703 nan 8.230 nan 0.000 0.603 412 K N 0.710 121.073 120.400 -0.062 0.000 2.352 412 K HA 0.241 4.566 4.320 0.009 0.000 0.194 412 K C -0.256 176.141 176.600 -0.337 0.000 1.038 412 K CA 0.732 56.878 56.287 -0.235 0.000 1.023 412 K CB 0.175 32.483 32.500 -0.320 0.000 0.840 412 K HN 0.631 nan 8.250 nan 0.000 0.519 413 F N 0.010 120.043 119.950 0.139 0.000 2.561 413 F HA 0.124 4.656 4.527 0.008 0.000 0.321 413 F C 1.397 177.336 175.800 0.231 0.000 1.065 413 F CA -0.870 57.223 58.000 0.154 0.000 0.934 413 F CB 2.059 41.130 39.000 0.117 0.000 1.215 413 F HN -0.179 nan 8.300 nan 0.000 0.471 414 S N -0.151 115.813 115.700 0.441 0.000 2.539 414 S HA 0.246 4.721 4.470 0.009 0.000 0.226 414 S C 0.809 175.612 174.600 0.339 0.000 1.054 414 S CA 0.007 58.438 58.200 0.384 0.000 0.910 414 S CB 0.125 63.615 63.200 0.484 0.000 0.818 414 S HN 0.768 nan 8.310 nan 0.000 0.490 415 K N 1.411 121.958 120.400 0.246 0.000 1.902 415 K HA -0.262 4.063 4.320 0.009 0.000 0.144 415 K C 0.343 176.998 176.600 0.092 0.000 0.912 415 K CA 2.137 58.477 56.287 0.088 0.000 0.315 415 K CB -1.711 30.730 32.500 -0.098 0.000 0.723 415 K HN 0.594 nan 8.250 nan 0.000 0.785 416 D N 1.086 121.534 120.400 0.081 0.000 2.339 416 D HA -0.015 4.630 4.640 0.009 0.000 0.217 416 D C 1.218 177.496 176.300 -0.036 0.000 1.050 416 D CA 0.392 54.413 54.000 0.035 0.000 0.856 416 D CB 0.090 40.906 40.800 0.027 0.000 0.922 416 D HN 0.202 nan 8.370 nan 0.000 0.518 417 R N -0.243 120.168 120.500 -0.148 0.000 2.236 417 R HA 0.148 4.493 4.340 0.009 0.000 0.208 417 R C -0.114 175.698 176.300 -0.812 0.000 1.036 417 R CA 0.367 56.148 56.100 -0.533 0.000 1.001 417 R CB -0.265 29.555 30.300 -0.800 0.000 0.896 417 R HN 0.236 nan 8.270 nan 0.000 0.464 418 F N -0.791 119.182 119.950 0.039 0.000 2.620 418 F HA 0.386 4.918 4.527 0.008 0.000 0.320 418 F C 0.473 176.289 175.800 0.026 0.000 1.069 418 F CA -1.393 56.620 58.000 0.023 0.000 0.953 418 F CB 0.593 39.609 39.000 0.026 0.000 1.322 418 F HN -0.345 nan 8.300 nan 0.000 0.479 419 L N 1.983 123.341 121.223 0.225 0.000 2.593 419 L HA -0.065 4.280 4.340 0.009 0.000 0.287 419 L C 0.428 177.378 176.870 0.133 0.000 1.243 419 L CA 0.075 54.993 54.840 0.131 0.000 0.890 419 L CB -0.072 42.044 42.059 0.095 0.000 1.134 419 L HN 0.563 nan 8.230 nan 0.000 0.502 420 N N 2.322 121.078 118.700 0.092 0.000 2.452 420 N HA 0.064 4.809 4.740 0.009 0.000 0.266 420 N C 0.323 175.875 175.510 0.071 0.000 1.209 420 N CA -0.168 52.932 53.050 0.082 0.000 0.929 420 N CB 1.153 39.673 38.487 0.055 0.000 1.063 420 N HN 0.392 nan 8.380 nan 0.000 0.472 421 V N 0.988 120.949 119.914 0.078 0.000 3.319 421 V HA 0.640 4.765 4.120 0.009 0.000 0.317 421 V C 0.960 177.090 176.094 0.061 0.000 1.411 421 V CA 0.295 62.633 62.300 0.063 0.000 1.112 421 V CB -0.699 31.163 31.823 0.064 0.000 1.031 421 V HN 0.827 nan 8.190 nan 0.000 0.448 422 G N 0.851 109.686 108.800 0.059 0.000 2.409 422 G HA2 -0.041 3.924 3.960 0.009 0.000 0.421 422 G HA3 -0.041 3.924 3.960 0.009 0.000 0.421 422 G C -2.095 172.838 174.900 0.055 0.000 1.259 422 G CA -0.157 44.974 45.100 0.050 0.000 1.011 422 G HN 0.176 nan 8.290 nan 0.000 0.497 423 P HA 0.121 nan 4.420 nan 0.000 0.219 423 P C 0.795 178.133 177.300 0.062 0.000 1.146 423 P CA 0.754 63.882 63.100 0.048 0.000 0.808 423 P CB 0.132 31.857 31.700 0.041 0.000 0.779 424 L N -0.212 121.057 121.223 0.077 0.000 2.272 424 L HA 0.361 4.707 4.340 0.009 0.000 0.289 424 L C -0.126 176.806 176.870 0.104 0.000 1.032 424 L CA -0.454 54.440 54.840 0.090 0.000 0.810 424 L CB 0.441 42.562 42.059 0.104 0.000 1.205 424 L HN -0.262 nan 8.230 nan 0.000 0.422 425 K N 5.812 126.279 120.400 0.111 0.000 2.281 425 K HA 0.643 4.968 4.320 0.009 0.000 0.242 425 K C -2.425 174.250 176.600 0.125 0.000 0.971 425 K CA -1.753 54.614 56.287 0.135 0.000 0.834 425 K CB 1.337 33.935 32.500 0.164 0.000 1.181 425 K HN 0.480 nan 8.250 nan 0.000 0.435 426 P HA 0.061 nan 4.420 nan 0.000 0.274 426 P C -0.802 176.578 177.300 0.133 0.000 1.256 426 P CA -0.259 62.890 63.100 0.082 0.000 0.795 426 P CB 0.568 32.245 31.700 -0.039 0.000 1.038 427 E N 0.604 120.858 120.200 0.089 0.000 2.369 427 E HA 0.177 4.532 4.350 0.009 0.000 0.255 427 E C 0.002 176.723 176.600 0.201 0.000 1.172 427 E CA -0.261 56.210 56.400 0.118 0.000 0.932 427 E CB 0.038 29.772 29.700 0.056 0.000 1.040 427 E HN 0.343 nan 8.360 nan 0.000 0.454 428 N N 1.510 120.343 118.700 0.223 0.000 2.569 428 N HA 0.115 4.860 4.740 0.009 0.000 0.254 428 N C -1.669 173.959 175.510 0.196 0.000 1.004 428 N CA -0.414 52.802 53.050 0.276 0.000 0.904 428 N CB 0.533 39.161 38.487 0.234 0.000 1.165 428 N HN 0.110 nan 8.380 nan 0.000 0.513 429 D N 2.218 122.749 120.400 0.218 0.000 2.347 429 D HA 0.191 4.836 4.640 0.009 0.000 0.235 429 D C -0.178 176.254 176.300 0.219 0.000 1.149 429 D CA 0.136 54.281 54.000 0.242 0.000 0.850 429 D CB 0.975 42.000 40.800 0.374 0.000 1.061 429 D HN 0.420 nan 8.370 nan 0.000 0.487 430 Q N 1.377 121.279 119.800 0.170 0.000 2.290 430 Q HA 0.419 4.764 4.340 0.009 0.000 0.259 430 Q C -0.591 175.499 176.000 0.149 0.000 0.941 430 Q CA -1.016 54.870 55.803 0.138 0.000 0.912 430 Q CB 2.497 31.279 28.738 0.074 0.000 1.244 430 Q HN 0.317 nan 8.270 nan 0.000 0.441 431 L N 4.250 125.567 121.223 0.156 0.000 2.276 431 L HA 0.488 4.833 4.340 0.009 0.000 0.286 431 L C -1.307 175.680 176.870 0.195 0.000 1.061 431 L CA 0.111 55.029 54.840 0.131 0.000 0.807 431 L CB 0.653 42.701 42.059 -0.019 0.000 1.177 431 L HN 0.547 nan 8.230 nan 0.000 0.429 432 I N 4.230 124.951 120.570 0.251 0.000 2.465 432 I HA 0.283 4.458 4.170 0.009 0.000 0.291 432 I C -0.829 175.484 176.117 0.327 0.000 1.014 432 I CA -0.766 60.675 61.300 0.236 0.000 1.093 432 I CB 1.867 39.944 38.000 0.129 0.000 1.267 432 I HN 0.530 nan 8.210 nan 0.000 0.431 433 D N 7.020 127.570 120.400 0.250 0.000 2.325 433 D HA 0.198 4.844 4.640 0.009 0.000 0.251 433 D C 0.484 176.756 176.300 -0.046 0.000 1.196 433 D CA -0.114 53.891 54.000 0.008 0.000 0.866 433 D CB 0.904 41.687 40.800 -0.029 0.000 1.101 433 D HN 0.528 nan 8.370 nan 0.000 0.476 434 I N 0.952 121.448 120.570 -0.124 0.000 3.927 434 I HA 0.137 4.312 4.170 0.009 0.000 0.332 434 I C 1.305 177.377 176.117 -0.076 0.000 1.485 434 I CA -0.408 60.845 61.300 -0.077 0.000 1.131 434 I CB 0.124 38.017 38.000 -0.179 0.000 1.092 434 I HN 0.175 nan 8.210 nan 0.000 0.410 435 S N 0.834 116.441 115.700 -0.155 0.000 2.399 435 S HA 0.077 4.552 4.470 0.009 0.000 0.231 435 S C 1.241 175.810 174.600 -0.052 0.000 1.022 435 S CA 0.563 58.686 58.200 -0.128 0.000 0.983 435 S CB -0.813 62.271 63.200 -0.193 0.000 0.803 435 S HN 0.588 nan 8.310 nan 0.000 0.480 436 G N 0.350 109.131 108.800 -0.032 0.000 2.557 436 G HA2 0.444 4.409 3.960 0.009 0.000 0.302 436 G HA3 0.444 4.409 3.960 0.009 0.000 0.302 436 G C -0.292 174.625 174.900 0.028 0.000 1.311 436 G CA -0.364 44.734 45.100 -0.002 0.000 1.030 436 G HN 0.072 nan 8.290 nan 0.000 0.509 437 D N -0.492 119.924 120.400 0.027 0.000 2.178 437 D HA 0.000 4.646 4.640 0.009 0.000 0.201 437 D C 0.684 177.015 176.300 0.051 0.000 0.980 437 D CA 1.185 55.208 54.000 0.037 0.000 0.842 437 D CB 0.235 41.052 40.800 0.027 0.000 0.948 437 D HN 0.054 nan 8.370 nan 0.000 0.472 438 K N 0.506 120.935 120.400 0.048 0.000 2.292 438 K HA 0.346 4.671 4.320 0.009 0.000 0.257 438 K C -0.032 176.607 176.600 0.066 0.000 0.940 438 K CA -0.420 55.902 56.287 0.059 0.000 0.811 438 K CB 2.014 34.541 32.500 0.046 0.000 1.120 438 K HN 0.028 nan 8.250 nan 0.000 0.428 439 M N 1.957 121.612 119.600 0.092 0.000 2.239 439 M HA 0.128 4.613 4.480 0.009 0.000 0.348 439 M C -0.090 176.254 176.300 0.073 0.000 1.239 439 M CA -0.124 55.232 55.300 0.094 0.000 1.114 439 M CB 0.442 33.122 32.600 0.132 0.000 1.641 439 M HN 0.099 nan 8.290 nan 0.000 0.453 440 V N 4.371 124.328 119.914 0.072 0.000 2.577 440 V HA 0.308 4.433 4.120 0.009 0.000 0.303 440 V C -0.614 175.539 176.094 0.099 0.000 1.042 440 V CA -0.969 61.375 62.300 0.073 0.000 0.872 440 V CB 1.846 33.706 31.823 0.063 0.000 0.998 440 V HN 0.669 nan 8.190 nan 0.000 0.423 441 L N 6.368 127.641 121.223 0.083 0.000 2.410 441 L HA 0.339 4.684 4.340 0.009 0.000 0.273 441 L C 0.898 177.835 176.870 0.111 0.000 1.144 441 L CA 0.843 55.736 54.840 0.089 0.000 0.863 441 L CB 1.446 43.531 42.059 0.043 0.000 1.140 441 L HN 0.632 nan 8.230 nan 0.000 0.463 442 V N 2.354 122.363 119.914 0.158 0.000 3.151 442 V HA 0.333 4.458 4.120 0.009 0.000 0.241 442 V C 0.433 176.628 176.094 0.169 0.000 1.173 442 V CA 0.253 62.659 62.300 0.177 0.000 1.154 442 V CB -0.235 31.752 31.823 0.273 0.000 0.898 442 V HN 0.891 nan 8.190 nan 0.000 0.473 443 H N 0.572 119.665 119.070 0.039 0.000 2.954 443 H HA 0.483 5.045 4.556 0.009 0.000 0.361 443 H C -1.784 173.569 175.328 0.042 0.000 1.122 443 H CA -0.450 55.610 56.048 0.020 0.000 1.217 443 H CB 2.330 32.074 29.762 -0.030 0.000 1.776 443 H HN 0.343 nan 8.280 nan 0.000 0.533 444 D N 2.708 122.903 120.400 -0.341 0.000 2.274 444 D HA 0.290 4.935 4.640 0.009 0.000 0.239 444 D C 0.198 176.404 176.300 -0.157 0.000 1.104 444 D CA -0.102 53.816 54.000 -0.137 0.000 0.840 444 D CB 1.634 42.373 40.800 -0.102 0.000 1.100 444 D HN 0.668 nan 8.370 nan 0.000 0.477 445 G N 2.911 111.803 108.800 0.154 0.000 2.716 445 G HA2 0.413 4.378 3.960 0.009 0.000 0.333 445 G HA3 0.413 4.378 3.960 0.009 0.000 0.333 445 G C -2.627 172.327 174.900 0.090 0.000 1.168 445 G CA -1.312 43.901 45.100 0.189 0.000 1.064 445 G HN 0.173 nan 8.290 nan 0.000 0.479 446 P HA 0.235 nan 4.420 nan 0.000 0.271 446 P C -0.052 177.160 177.300 -0.146 0.000 1.216 446 P CA 0.184 63.040 63.100 -0.407 0.000 0.771 446 P CB 1.323 32.443 31.700 -0.967 0.000 0.864 447 T N -0.073 114.459 114.554 -0.035 0.000 2.916 447 T HA 0.503 4.859 4.350 0.009 0.000 0.305 447 T C -0.830 173.931 174.700 0.101 0.000 1.119 447 T CA -0.769 61.356 62.100 0.043 0.000 1.008 447 T CB 0.939 69.864 68.868 0.095 0.000 1.129 447 T HN 0.151 nan 8.240 nan 0.000 0.480 448 F N 3.040 122.987 119.950 -0.006 0.000 2.399 448 F HA 0.618 5.149 4.527 0.006 0.000 0.342 448 F C 0.873 176.697 175.800 0.041 0.000 1.106 448 F CA -0.826 57.181 58.000 0.011 0.000 1.196 448 F CB 0.351 39.355 39.000 0.007 0.000 1.163 448 F HN 1.043 nan 8.300 nan 0.000 0.547 449 A N 5.045 127.321 122.820 -0.906 0.000 2.589 449 A HA 0.051 4.376 4.320 0.009 0.000 0.259 449 A C 0.179 177.548 177.584 -0.358 0.000 1.000 449 A CA 0.825 52.482 52.037 -0.634 0.000 0.847 449 A CB -0.719 17.822 19.000 -0.764 0.000 0.885 449 A HN 0.824 nan 8.150 nan 0.000 0.508 450 E N 4.212 124.334 120.200 -0.131 0.000 2.466 450 E HA 0.332 4.687 4.350 0.009 0.000 0.308 450 E C -3.069 173.479 176.600 -0.087 0.000 0.933 450 E CA -1.797 54.520 56.400 -0.139 0.000 0.800 450 E CB 1.513 31.099 29.700 -0.190 0.000 1.434 450 E HN 0.386 nan 8.360 nan 0.000 0.389 451 P HA 0.068 nan 4.420 nan 0.000 0.268 451 P C -0.161 177.049 177.300 -0.149 0.000 1.205 451 P CA 0.069 63.185 63.100 0.026 0.000 0.771 451 P CB 0.730 32.532 31.700 0.171 0.000 0.858 452 H N 0.280 119.256 119.070 -0.157 0.000 2.343 452 H HA 0.149 4.710 4.556 0.008 0.000 0.322 452 H C 0.102 175.228 175.328 -0.336 0.000 1.194 452 H CA 0.623 56.590 56.048 -0.135 0.000 1.780 452 H CB 0.043 29.689 29.762 -0.195 0.000 1.521 452 H HN 0.418 nan 8.280 nan 0.000 0.638 453 D N -0.262 119.844 120.400 -0.489 0.000 2.385 453 D HA 0.578 5.224 4.640 0.009 0.000 0.254 453 D C -0.949 175.041 176.300 -0.515 0.000 1.053 453 D CA -0.465 53.141 54.000 -0.657 0.000 0.992 453 D CB 1.790 42.154 40.800 -0.727 0.000 1.145 453 D HN 0.500 nan 8.370 nan 0.000 0.523 454 A N 0.362 122.866 122.820 -0.527 0.000 2.612 454 A HA 0.685 5.010 4.320 0.009 0.000 0.293 454 A C -1.233 176.159 177.584 -0.320 0.000 1.075 454 A CA -0.687 50.968 52.037 -0.637 0.000 0.680 454 A CB 0.766 18.825 19.000 -1.568 0.000 1.279 454 A HN 0.580 nan 8.150 nan 0.000 0.411 455 I N -2.306 118.184 120.570 -0.134 0.000 3.042 455 I HA 0.977 5.152 4.170 0.009 0.000 0.310 455 I C -0.241 175.985 176.117 0.181 0.000 1.117 455 I CA -1.200 60.145 61.300 0.076 0.000 1.003 455 I CB 2.309 40.405 38.000 0.160 0.000 1.228 455 I HN 1.045 nan 8.210 nan 0.000 0.443 456 A N 3.145 126.099 122.820 0.223 0.000 2.414 456 A HA 0.876 5.201 4.320 0.009 0.000 0.306 456 A C -1.204 176.559 177.584 0.298 0.000 1.054 456 A CA -0.638 51.537 52.037 0.229 0.000 0.724 456 A CB 1.918 20.985 19.000 0.113 0.000 1.267 456 A HN 0.598 nan 8.150 nan 0.000 0.418 457 V N 0.979 121.119 119.914 0.377 0.000 2.760 457 V HA 0.513 4.638 4.120 0.009 0.000 0.309 457 V C 0.556 176.973 176.094 0.539 0.000 1.077 457 V CA -0.677 61.891 62.300 0.446 0.000 0.910 457 V CB 1.883 33.956 31.823 0.417 0.000 1.008 457 V HN 1.040 nan 8.190 nan 0.000 0.424 458 S N 4.872 120.875 115.700 0.505 0.000 2.549 458 S HA 0.187 4.663 4.470 0.009 0.000 0.286 458 S C -1.331 173.472 174.600 0.338 0.000 1.314 458 S CA -0.631 57.841 58.200 0.454 0.000 1.062 458 S CB 1.050 64.449 63.200 0.331 0.000 0.865 458 S HN 0.636 nan 8.310 nan 0.000 0.498 459 P HA -0.093 nan 4.420 nan 0.000 0.221 459 P C 1.465 178.867 177.300 0.171 0.000 1.145 459 P CA 1.125 64.414 63.100 0.315 0.000 0.795 459 P CB -0.155 31.645 31.700 0.167 0.000 0.775 460 S N -1.133 114.639 115.700 0.120 0.000 2.469 460 S HA -0.096 4.379 4.470 0.009 0.000 0.238 460 S C 1.758 176.395 174.600 0.061 0.000 0.998 460 S CA 0.861 59.106 58.200 0.076 0.000 0.957 460 S CB -1.447 61.795 63.200 0.069 0.000 0.764 460 S HN 0.129 nan 8.310 nan 0.000 0.514 461 I N 0.223 120.841 120.570 0.079 0.000 3.059 461 I HA 0.199 4.374 4.170 0.009 0.000 0.270 461 I C 0.774 176.872 176.117 -0.031 0.000 1.238 461 I CA 0.694 62.016 61.300 0.038 0.000 1.478 461 I CB 0.062 38.111 38.000 0.082 0.000 1.097 461 I HN 0.239 nan 8.210 nan 0.000 0.455 462 L N 2.203 123.406 121.223 -0.032 0.000 3.096 462 L HA 0.234 4.579 4.340 0.009 0.000 0.272 462 L C -1.385 175.441 176.870 -0.073 0.000 1.311 462 L CA -0.686 54.084 54.840 -0.117 0.000 0.943 462 L CB 0.253 42.157 42.059 -0.258 0.000 1.348 462 L HN -0.013 nan 8.230 nan 0.000 0.562 463 P HA -0.081 nan 4.420 nan 0.000 0.233 463 P C 0.647 177.907 177.300 -0.067 0.000 1.167 463 P CA 0.855 63.932 63.100 -0.037 0.000 0.770 463 P CB 0.057 31.740 31.700 -0.028 0.000 0.837 464 N N 0.275 118.913 118.700 -0.104 0.000 2.461 464 N HA -0.012 4.734 4.740 0.009 0.000 0.188 464 N C 0.687 176.107 175.510 -0.150 0.000 1.134 464 N CA -0.058 52.916 53.050 -0.127 0.000 0.878 464 N CB -0.660 37.731 38.487 -0.159 0.000 0.972 464 N HN 0.213 nan 8.380 nan 0.000 0.456 465 I N 2.201 122.684 120.570 -0.145 0.000 2.587 465 I HA -0.012 4.163 4.170 0.009 0.000 0.284 465 I C 0.861 176.898 176.117 -0.132 0.000 1.134 465 I CA -0.058 61.149 61.300 -0.155 0.000 1.410 465 I CB 0.310 38.232 38.000 -0.129 0.000 1.392 465 I HN -0.132 nan 8.210 nan 0.000 0.545 466 R N 3.887 124.280 120.500 -0.178 0.000 2.637 466 R HA 0.212 4.557 4.340 0.009 0.000 0.269 466 R C 0.867 177.081 176.300 -0.143 0.000 1.089 466 R CA -0.378 55.622 56.100 -0.167 0.000 1.177 466 R CB 0.770 30.930 30.300 -0.234 0.000 1.091 466 R HN 0.589 nan 8.270 nan 0.000 0.540 467 S N -0.004 115.635 115.700 -0.101 0.000 2.468 467 S HA 0.037 4.512 4.470 0.009 0.000 0.226 467 S C 0.524 175.086 174.600 -0.063 0.000 1.051 467 S CA 0.102 58.261 58.200 -0.068 0.000 0.943 467 S CB 0.514 63.694 63.200 -0.033 0.000 0.810 467 S HN 0.524 nan 8.310 nan 0.000 0.509 468 V N -2.157 117.727 119.914 -0.049 0.000 3.102 468 V HA 0.699 4.824 4.120 0.009 0.000 0.312 468 V C -1.448 174.663 176.094 0.029 0.000 1.135 468 V CA -1.665 60.650 62.300 0.025 0.000 1.022 468 V CB 0.772 32.649 31.823 0.090 0.000 1.056 468 V HN 0.370 nan 8.190 nan 0.000 0.436 469 W N 0.515 121.859 121.300 0.072 0.000 2.126 469 W HA 0.458 5.122 4.660 0.008 0.000 0.346 469 W C 0.486 177.085 176.519 0.133 0.000 1.279 469 W CA 0.704 58.131 57.345 0.138 0.000 1.259 469 W CB 0.283 29.913 29.460 0.283 0.000 1.133 469 W HN 0.802 nan 8.180 nan 0.000 0.592 470 D N 1.525 122.154 120.400 0.382 0.000 2.308 470 D HA 0.076 4.721 4.640 0.009 0.000 0.251 470 D C 1.297 177.823 176.300 0.377 0.000 1.127 470 D CA -0.136 54.020 54.000 0.259 0.000 0.876 470 D CB 1.029 41.901 40.800 0.121 0.000 1.176 470 D HN 0.158 nan 8.370 nan 0.000 0.446 471 R N 2.842 123.529 120.500 0.312 0.000 2.120 471 R HA -0.046 4.299 4.340 0.009 0.000 0.234 471 R C 0.477 176.992 176.300 0.359 0.000 1.123 471 R CA 0.662 56.999 56.100 0.395 0.000 0.975 471 R CB -0.321 30.120 30.300 0.235 0.000 0.866 471 R HN 0.504 nan 8.270 nan 0.000 0.446 472 N N 1.683 120.460 118.700 0.130 0.000 2.375 472 N HA -0.039 4.706 4.740 0.009 0.000 0.220 472 N C -0.198 175.167 175.510 -0.242 0.000 1.170 472 N CA 0.101 53.140 53.050 -0.018 0.000 0.833 472 N CB -0.006 38.477 38.487 -0.006 0.000 1.069 472 N HN 0.196 nan 8.380 nan 0.000 0.479 473 D N 1.345 121.440 120.400 -0.507 0.000 2.455 473 D HA 0.017 4.662 4.640 0.009 0.000 0.241 473 D C -1.380 174.426 176.300 -0.822 0.000 1.138 473 D CA -1.364 52.212 54.000 -0.707 0.000 0.877 473 D CB 1.941 42.184 40.800 -0.929 0.000 1.187 473 D HN 0.031 nan 8.370 nan 0.000 0.451 474 P HA -0.125 nan 4.420 nan 0.000 0.220 474 P C 1.583 178.716 177.300 -0.279 0.000 1.148 474 P CA 0.266 63.191 63.100 -0.291 0.000 0.803 474 P CB 0.141 31.755 31.700 -0.144 0.000 0.782 475 L N -0.157 120.878 121.223 -0.313 0.000 2.089 475 L HA -0.118 4.227 4.340 0.009 0.000 0.213 475 L C 1.373 178.255 176.870 0.019 0.000 1.079 475 L CA 1.715 56.501 54.840 -0.091 0.000 0.758 475 L CB -1.332 40.749 42.059 0.037 0.000 0.891 475 L HN 0.144 nan 8.230 nan 0.000 0.433 476 W N -2.716 118.555 121.300 -0.048 0.000 2.862 476 W HA 0.702 5.367 4.660 0.008 0.000 0.426 476 W C 1.540 178.036 176.519 -0.037 0.000 0.950 476 W CA -0.136 57.171 57.345 -0.064 0.000 2.150 476 W CB -1.309 28.085 29.460 -0.110 0.000 1.161 476 W HN 0.048 nan 8.180 nan 0.000 0.696 477 A N 0.940 123.726 122.820 -0.057 0.000 1.908 477 A HA -0.273 4.052 4.320 0.009 0.000 0.218 477 A C 2.037 179.639 177.584 0.030 0.000 1.181 477 A CA 2.278 54.292 52.037 -0.038 0.000 0.627 477 A CB -0.487 18.470 19.000 -0.071 0.000 0.818 477 A HN 0.355 nan 8.150 nan 0.000 0.445 478 E N -0.572 119.649 120.200 0.035 0.000 2.150 478 E HA -0.077 4.278 4.350 0.009 0.000 0.193 478 E C 2.074 178.703 176.600 0.047 0.000 0.985 478 E CA 1.657 58.076 56.400 0.031 0.000 0.814 478 E CB -0.454 29.256 29.700 0.018 0.000 0.752 478 E HN 0.572 nan 8.360 nan 0.000 0.466 479 T N 0.021 114.621 114.554 0.078 0.000 2.746 479 T HA -0.160 4.195 4.350 0.009 0.000 0.267 479 T C 1.868 176.633 174.700 0.107 0.000 1.039 479 T CA 1.432 63.577 62.100 0.075 0.000 1.142 479 T CB -0.239 68.677 68.868 0.080 0.000 0.866 479 T HN 0.169 nan 8.240 nan 0.000 0.444 480 R N 0.818 121.406 120.500 0.148 0.000 2.096 480 R HA -0.101 4.244 4.340 0.009 0.000 0.235 480 R C 2.276 178.616 176.300 0.067 0.000 1.127 480 R CA 1.356 57.533 56.100 0.128 0.000 0.968 480 R CB -0.067 30.328 30.300 0.157 0.000 0.861 480 R HN 0.076 nan 8.270 nan 0.000 0.440 481 K N 0.483 120.913 120.400 0.050 0.000 2.057 481 K HA -0.178 4.147 4.320 0.009 0.000 0.207 481 K C 2.028 178.642 176.600 0.024 0.000 1.049 481 K CA 1.614 57.916 56.287 0.026 0.000 0.931 481 K CB -0.178 32.333 32.500 0.017 0.000 0.714 481 K HN 0.111 nan 8.250 nan 0.000 0.440 482 Q N -0.079 119.744 119.800 0.037 0.000 2.119 482 Q HA 0.032 4.377 4.340 0.009 0.000 0.201 482 Q C 1.737 177.774 176.000 0.061 0.000 0.972 482 Q CA 1.776 57.604 55.803 0.043 0.000 0.847 482 Q CB -0.360 28.404 28.738 0.044 0.000 0.903 482 Q HN 0.260 nan 8.270 nan 0.000 0.433 483 A N 0.494 123.361 122.820 0.077 0.000 1.877 483 A HA -0.233 4.093 4.320 0.009 0.000 0.216 483 A C 1.957 179.489 177.584 -0.087 0.000 1.186 483 A CA 1.714 53.738 52.037 -0.021 0.000 0.620 483 A CB -0.667 18.323 19.000 -0.016 0.000 0.822 483 A HN 0.566 nan 8.150 nan 0.000 0.443 484 E N -0.319 119.858 120.200 -0.038 0.000 2.085 484 E HA -0.161 4.194 4.350 0.009 0.000 0.194 484 E C 2.270 178.846 176.600 -0.039 0.000 0.994 484 E CA 1.085 57.461 56.400 -0.040 0.000 0.801 484 E CB -0.309 29.381 29.700 -0.016 0.000 0.743 484 E HN 0.628 nan 8.360 nan 0.000 0.453 485 A N 1.455 124.261 122.820 -0.024 0.000 1.972 485 A HA -0.181 4.144 4.320 0.009 0.000 0.219 485 A C 1.438 179.004 177.584 -0.031 0.000 1.169 485 A CA 1.496 53.521 52.037 -0.021 0.000 0.635 485 A CB -0.155 18.840 19.000 -0.008 0.000 0.810 485 A HN 0.081 nan 8.150 nan 0.000 0.446 486 D N -1.059 119.315 120.400 -0.044 0.000 2.349 486 D HA 0.298 4.943 4.640 0.009 0.000 0.224 486 D C 1.090 177.324 176.300 -0.110 0.000 1.029 486 D CA 1.265 55.225 54.000 -0.066 0.000 0.879 486 D CB -0.132 40.630 40.800 -0.064 0.000 0.906 486 D HN 0.712 nan 8.370 nan 0.000 0.528 487 E N -1.062 119.074 120.200 -0.106 0.000 2.868 487 E HA -0.175 4.180 4.350 0.009 0.000 0.278 487 E C -0.012 176.493 176.600 -0.160 0.000 1.009 487 E CA 0.716 57.053 56.400 -0.106 0.000 0.856 487 E CB -2.389 nan 29.700 nan 0.000 1.428 487 E HN 0.195 nan 8.360 nan 0.000 0.423 488 V N 0.677 120.443 119.914 -0.247 0.000 2.459 488 V HA 0.618 4.743 4.120 0.009 0.000 0.295 488 V C -0.068 175.876 176.094 -0.250 0.000 1.029 488 V CA -0.334 61.755 62.300 -0.353 0.000 0.874 488 V CB 1.956 33.294 31.823 -0.809 0.000 0.985 488 V HN 0.484 nan 8.190 nan 0.000 0.438 489 D N 4.026 124.321 120.400 -0.175 0.000 2.443 489 D HA 0.281 4.926 4.640 0.009 0.000 0.221 489 D C 1.093 177.340 176.300 -0.089 0.000 1.097 489 D CA -0.487 53.454 54.000 -0.097 0.000 0.865 489 D CB 1.086 41.856 40.800 -0.049 0.000 1.034 489 D HN 0.563 nan 8.370 nan 0.000 0.511 490 I N -0.083 120.443 120.570 -0.072 0.000 3.001 490 I HA 0.004 4.180 4.170 0.009 0.000 0.268 490 I C 0.502 176.605 176.117 -0.023 0.000 1.267 490 I CA 0.387 61.656 61.300 -0.052 0.000 1.472 490 I CB 0.140 38.126 38.000 -0.025 0.000 1.089 490 I HN 0.014 nan 8.210 nan 0.000 0.468 491 D N 1.802 122.207 120.400 0.008 0.000 2.363 491 D HA 0.064 4.709 4.640 0.009 0.000 0.220 491 D C 0.439 176.764 176.300 0.042 0.000 0.994 491 D CA 0.730 54.750 54.000 0.034 0.000 0.890 491 D CB 0.239 41.068 40.800 0.048 0.000 0.906 491 D HN 0.651 nan 8.370 nan 0.000 0.530 492 E N -0.877 119.346 120.200 0.039 0.000 2.359 492 E HA 0.142 4.497 4.350 0.009 0.000 0.266 492 E C -0.454 176.221 176.600 0.125 0.000 0.920 492 E CA -1.044 55.410 56.400 0.089 0.000 0.788 492 E CB 1.799 31.548 29.700 0.082 0.000 1.279 492 E HN 0.008 nan 8.360 nan 0.000 0.438 493 W N 2.267 123.558 121.300 -0.015 0.000 2.480 493 W HA 0.001 4.666 4.660 0.009 0.000 0.337 493 W C -0.447 176.060 176.519 -0.019 0.000 1.201 493 W CA 1.391 58.730 57.345 -0.011 0.000 1.309 493 W CB 0.711 30.169 29.460 -0.003 0.000 1.168 493 W HN 0.401 nan 8.180 nan 0.000 0.566 494 T N 4.746 119.093 114.554 -0.344 0.000 2.894 494 T HA 0.302 4.657 4.350 0.009 0.000 0.309 494 T C -0.539 173.961 174.700 -0.333 0.000 1.208 494 T CA -0.496 61.473 62.100 -0.220 0.000 1.016 494 T CB 1.460 70.229 68.868 -0.165 0.000 1.192 494 T HN 0.505 nan 8.240 nan 0.000 0.491 495 E N 1.480 121.601 120.200 -0.133 0.000 2.968 495 E HA 0.397 4.752 4.350 0.009 0.000 0.202 495 E C -0.054 176.526 176.600 -0.034 0.000 0.979 495 E CA -0.522 55.827 56.400 -0.085 0.000 1.192 495 E CB 1.054 30.767 29.700 0.022 0.000 1.059 495 E HN 0.707 nan 8.360 nan 0.000 0.470 496 A N 1.007 123.805 122.820 -0.037 0.000 2.425 496 A HA 0.394 4.719 4.320 0.009 0.000 0.249 496 A C 0.090 177.696 177.584 0.037 0.000 1.084 496 A CA -0.036 51.995 52.037 -0.009 0.000 0.781 496 A CB 0.550 19.496 19.000 -0.089 0.000 1.019 496 A HN 0.095 nan 8.150 nan 0.000 0.490 497 V N 4.585 124.508 119.914 0.015 0.000 2.443 497 V HA 0.284 4.409 4.120 0.009 0.000 0.293 497 V C -0.778 175.320 176.094 0.007 0.000 1.021 497 V CA -0.461 61.829 62.300 -0.016 0.000 0.848 497 V CB 1.354 33.167 31.823 -0.017 0.000 0.998 497 V HN 0.698 nan 8.190 nan 0.000 0.424 498 I N 5.566 126.145 120.570 0.014 0.000 2.330 498 I HA 0.505 4.680 4.170 0.009 0.000 0.289 498 I C 0.273 176.379 176.117 -0.017 0.000 1.001 498 I CA -0.679 60.631 61.300 0.016 0.000 1.193 498 I CB 1.519 39.561 38.000 0.070 0.000 1.345 498 I HN 0.472 nan 8.210 nan 0.000 0.461 499 R N 4.072 124.563 120.500 -0.014 0.000 2.265 499 R HA 0.317 4.662 4.340 0.009 0.000 0.314 499 R C -0.403 175.884 176.300 -0.022 0.000 1.053 499 R CA -0.403 55.685 56.100 -0.020 0.000 0.931 499 R CB 0.980 31.274 30.300 -0.009 0.000 1.024 499 R HN 0.441 nan 8.270 nan 0.000 0.457 500 D N 1.773 122.155 120.400 -0.031 0.000 2.735 500 D HA 0.249 4.894 4.640 0.009 0.000 0.291 500 D C 0.811 177.092 176.300 -0.032 0.000 1.205 500 D CA 0.473 54.454 54.000 -0.030 0.000 0.777 500 D CB 0.288 41.065 40.800 -0.037 0.000 1.234 500 D HN 0.737 nan 8.370 nan 0.000 0.520 501 G N 2.794 111.580 108.800 -0.024 0.000 2.543 501 G HA2 -0.377 3.588 3.960 0.009 0.000 0.286 501 G HA3 -0.377 3.588 3.960 0.009 0.000 0.286 501 G C 0.790 175.675 174.900 -0.025 0.000 1.153 501 G CA 0.274 45.360 45.100 -0.022 0.000 0.968 501 G HN 0.489 nan 8.290 nan 0.000 0.544 502 N N 1.378 120.060 118.700 -0.030 0.000 2.314 502 N HA 0.250 4.995 4.740 0.009 0.000 0.200 502 N C 0.289 175.767 175.510 -0.054 0.000 1.135 502 N CA 0.228 53.258 53.050 -0.033 0.000 0.835 502 N CB 0.286 38.757 38.487 -0.027 0.000 0.989 502 N HN 0.368 nan 8.380 nan 0.000 0.478 503 K N 0.752 121.116 120.400 -0.061 0.000 2.156 503 K HA 0.556 4.882 4.320 0.009 0.000 0.254 503 K C -1.008 175.535 176.600 -0.095 0.000 0.950 503 K CA -0.666 55.567 56.287 -0.091 0.000 0.849 503 K CB 2.463 34.910 32.500 -0.088 0.000 1.100 503 K HN -0.229 nan 8.250 nan 0.000 0.434 504 V N 2.529 122.359 119.914 -0.139 0.000 2.686 504 V HA 0.420 4.545 4.120 0.009 0.000 0.306 504 V C -0.747 175.207 176.094 -0.232 0.000 1.065 504 V CA -0.987 61.226 62.300 -0.146 0.000 0.894 504 V CB 1.860 33.612 31.823 -0.119 0.000 1.004 504 V HN 0.692 nan 8.190 nan 0.000 0.424 505 R N 2.680 123.047 120.500 -0.223 0.000 2.310 505 R HA 0.698 5.043 4.340 0.009 0.000 0.324 505 R C -1.315 174.734 176.300 -0.418 0.000 0.955 505 R CA -0.543 55.340 56.100 -0.360 0.000 0.830 505 R CB 2.129 32.265 30.300 -0.273 0.000 1.154 505 R HN 0.542 nan 8.270 nan 0.000 0.458 506 V N 4.946 124.479 119.914 -0.635 0.000 2.347 506 V HA 0.283 4.408 4.120 0.009 0.000 0.280 506 V C -0.772 174.880 176.094 -0.736 0.000 1.021 506 V CA -0.733 61.164 62.300 -0.671 0.000 0.847 506 V CB 0.673 31.850 31.823 -1.076 0.000 0.990 506 V HN 0.590 nan 8.190 nan 0.000 0.444 507 Y N 5.242 125.301 120.300 -0.401 0.000 2.330 507 Y HA 0.717 5.273 4.550 0.009 0.000 0.336 507 Y C 0.390 176.062 175.900 -0.379 0.000 1.036 507 Y CA -0.424 57.462 58.100 -0.357 0.000 1.125 507 Y CB 1.532 39.835 38.460 -0.262 0.000 1.194 507 Y HN 0.474 nan 8.280 nan 0.000 0.469 508 M N 1.876 121.313 119.600 -0.272 0.000 2.593 508 M HA 0.513 4.999 4.480 0.009 0.000 0.290 508 M C -1.048 175.083 176.300 -0.280 0.000 1.244 508 M CA -0.735 54.385 55.300 -0.300 0.000 0.857 508 M CB 2.734 35.152 32.600 -0.304 0.000 1.738 508 M HN 0.456 nan 8.290 nan 0.000 0.461 509 T N 1.093 115.415 114.554 -0.387 0.000 2.863 509 T HA 0.548 4.903 4.350 0.009 0.000 0.285 509 T C -0.506 174.043 174.700 -0.251 0.000 1.009 509 T CA -0.770 61.124 62.100 -0.343 0.000 0.989 509 T CB 1.520 70.085 68.868 -0.504 0.000 1.004 509 T HN 0.703 nan 8.240 nan 0.000 0.455 510 S N 1.494 117.105 115.700 -0.147 0.000 2.456 510 S HA 0.749 5.224 4.470 0.009 0.000 0.316 510 S C -0.712 173.762 174.600 -0.211 0.000 1.089 510 S CA -0.705 57.336 58.200 -0.265 0.000 1.101 510 S CB 0.989 63.963 63.200 -0.377 0.000 0.995 510 S HN 0.454 nan 8.310 nan 0.000 0.468 511 V N 2.633 122.449 119.914 -0.163 0.000 2.524 511 V HA 0.659 4.784 4.120 0.009 0.000 0.297 511 V C 0.471 176.531 176.094 -0.058 0.000 1.035 511 V CA -0.812 61.497 62.300 0.015 0.000 0.867 511 V CB 1.280 33.227 31.823 0.207 0.000 1.004 511 V HN 1.231 nan 8.190 nan 0.000 0.426 512 A N 7.244 130.095 122.820 0.052 0.000 2.565 512 A HA 0.435 4.760 4.320 0.009 0.000 0.237 512 A C -1.314 176.197 177.584 -0.122 0.000 1.053 512 A CA -0.319 51.758 52.037 0.067 0.000 0.755 512 A CB 0.029 19.236 19.000 0.345 0.000 0.980 512 A HN 0.703 nan 8.150 nan 0.000 0.506 513 P HA 0.225 nan 4.420 nan 0.000 0.254 513 P C -0.606 176.563 177.300 -0.219 0.000 1.620 513 P CA 0.063 62.988 63.100 -0.291 0.000 1.050 513 P CB 0.347 31.754 31.700 -0.488 0.000 1.539 514 S N -0.410 115.167 115.700 -0.205 0.000 2.549 514 S HA 0.540 5.016 4.470 0.009 0.000 0.280 514 S C -0.488 173.998 174.600 -0.190 0.000 1.109 514 S CA -0.396 57.725 58.200 -0.133 0.000 0.905 514 S CB 0.936 64.165 63.200 0.048 0.000 1.081 514 S HN -0.069 nan 8.310 nan 0.000 0.477 515 F N 1.729 121.713 119.950 0.056 0.000 2.406 515 F HA 0.181 4.713 4.527 0.008 0.000 0.327 515 F C 2.131 177.924 175.800 -0.012 0.000 1.153 515 F CA -0.142 57.867 58.000 0.015 0.000 1.218 515 F CB 0.732 39.830 39.000 0.163 0.000 1.215 515 F HN 0.732 nan 8.300 nan 0.000 0.570 516 S N -0.226 115.416 115.700 -0.097 0.000 2.447 516 S HA -0.067 4.408 4.470 0.009 0.000 0.233 516 S C 0.357 174.976 174.600 0.032 0.000 1.006 516 S CA 0.480 58.467 58.200 -0.354 0.000 0.957 516 S CB -0.339 62.080 63.200 -1.302 0.000 0.773 516 S HN 0.665 nan 8.310 nan 0.000 0.507 517 Q N 1.610 121.473 119.800 0.105 0.000 2.333 517 Q HA 0.324 4.670 4.340 0.009 0.000 0.265 517 Q C -2.090 174.111 176.000 0.334 0.000 0.989 517 Q CA -2.266 53.654 55.803 0.196 0.000 0.842 517 Q CB 1.895 30.712 28.738 0.132 0.000 1.262 517 Q HN 0.226 nan 8.270 nan 0.000 0.451 518 P HA -0.093 nan 4.420 nan 0.000 0.225 518 P C -0.001 177.376 177.300 0.128 0.000 1.156 518 P CA 0.815 64.042 63.100 0.211 0.000 0.787 518 P CB 0.544 32.341 31.700 0.162 0.000 0.802 519 S N -0.930 114.891 115.700 0.202 0.000 2.587 519 S HA 0.677 5.152 4.470 0.009 0.000 0.269 519 S C -1.163 173.612 174.600 0.291 0.000 1.154 519 S CA -0.903 57.359 58.200 0.104 0.000 0.824 519 S CB 1.107 64.274 63.200 -0.054 0.000 1.118 519 S HN 0.114 nan 8.310 nan 0.000 0.462 520 F N -1.513 118.488 119.950 0.085 0.000 2.686 520 F HA 0.886 5.418 4.527 0.008 0.000 0.311 520 F C -1.134 174.758 175.800 0.153 0.000 1.128 520 F CA -0.770 57.288 58.000 0.097 0.000 0.946 520 F CB 1.422 40.428 39.000 0.010 0.000 1.336 520 F HN 0.602 nan 8.300 nan 0.000 0.457 521 T N 2.352 117.100 114.554 0.324 0.000 2.848 521 T HA 0.685 5.040 4.350 0.009 0.000 0.285 521 T C -0.709 174.125 174.700 0.224 0.000 0.995 521 T CA -0.520 61.719 62.100 0.232 0.000 0.970 521 T CB 1.612 70.603 68.868 0.205 0.000 0.976 521 T HN 1.055 nan 8.240 nan 0.000 0.441 522 V N 0.399 120.412 119.914 0.166 0.000 3.158 522 V HA 0.748 4.873 4.120 0.009 0.000 0.311 522 V C -1.120 175.030 176.094 0.094 0.000 1.181 522 V CA -1.302 61.077 62.300 0.131 0.000 1.054 522 V CB 1.983 33.891 31.823 0.142 0.000 1.085 522 V HN 0.692 nan 8.190 nan 0.000 0.446 523 K N 0.895 121.334 120.400 0.065 0.000 2.138 523 K HA 0.383 4.708 4.320 0.009 0.000 0.263 523 K C -0.232 176.404 176.600 0.060 0.000 0.965 523 K CA -0.492 55.828 56.287 0.056 0.000 0.868 523 K CB 1.765 34.285 32.500 0.034 0.000 1.083 523 K HN 0.942 nan 8.250 nan 0.000 0.443 524 E N 0.807 121.049 120.200 0.071 0.000 2.765 524 E HA -0.189 4.166 4.350 0.009 0.000 0.256 524 E C 0.596 177.226 176.600 0.049 0.000 0.935 524 E CA 1.292 57.736 56.400 0.074 0.000 0.954 524 E CB -0.048 29.694 29.700 0.068 0.000 0.908 524 E HN 0.824 nan 8.360 nan 0.000 0.500 525 G N 3.917 112.746 108.800 0.048 0.000 2.195 525 G HA2 -0.232 3.733 3.960 0.009 0.000 0.246 525 G HA3 -0.232 3.733 3.960 0.009 0.000 0.246 525 G C -0.142 174.761 174.900 0.005 0.000 0.984 525 G CA 0.083 45.199 45.100 0.026 0.000 0.633 525 G HN 0.661 nan 8.290 nan 0.000 0.525 526 D N 1.029 121.429 120.400 -0.000 0.000 2.443 526 D HA 0.335 4.980 4.640 0.009 0.000 0.239 526 D C 0.577 176.823 176.300 -0.091 0.000 1.136 526 D CA 0.217 54.193 54.000 -0.040 0.000 0.879 526 D CB 0.774 41.551 40.800 -0.039 0.000 1.195 526 D HN 0.458 nan 8.370 nan 0.000 0.443 527 E N 1.719 121.848 120.200 -0.117 0.000 2.052 527 E HA 0.230 4.585 4.350 0.009 0.000 0.283 527 E C -1.108 175.320 176.600 -0.287 0.000 1.071 527 E CA -0.534 55.758 56.400 -0.181 0.000 0.851 527 E CB 0.545 30.168 29.700 -0.129 0.000 1.066 527 E HN 0.073 nan 8.360 nan 0.000 0.396 528 V N 4.545 124.152 119.914 -0.511 0.000 2.407 528 V HA 0.228 4.353 4.120 0.009 0.000 0.278 528 V C 0.168 175.850 176.094 -0.687 0.000 1.037 528 V CA -0.493 61.422 62.300 -0.641 0.000 0.900 528 V CB 1.657 32.940 31.823 -0.899 0.000 0.983 528 V HN 0.643 nan 8.190 nan 0.000 0.459 529 T N 4.715 118.977 114.554 -0.487 0.000 2.779 529 T HA 0.532 4.887 4.350 0.009 0.000 0.280 529 T C -0.313 174.074 174.700 -0.523 0.000 0.987 529 T CA -0.327 61.520 62.100 -0.422 0.000 0.966 529 T CB 1.536 70.202 68.868 -0.337 0.000 0.933 529 T HN 0.343 nan 8.240 nan 0.000 0.442 530 V N 5.007 124.626 119.914 -0.492 0.000 2.398 530 V HA 0.482 4.607 4.120 0.009 0.000 0.286 530 V C -0.435 175.267 176.094 -0.655 0.000 1.026 530 V CA -0.783 61.099 62.300 -0.697 0.000 0.868 530 V CB 1.159 32.451 31.823 -0.886 0.000 0.982 530 V HN 0.736 nan 8.190 nan 0.000 0.443 531 I N 5.749 125.887 120.570 -0.720 0.000 2.355 531 I HA 0.489 4.664 4.170 0.009 0.000 0.288 531 I C -0.286 175.542 176.117 -0.482 0.000 0.999 531 I CA -0.209 60.749 61.300 -0.570 0.000 1.163 531 I CB 1.800 39.420 38.000 -0.633 0.000 1.316 531 I HN 0.275 nan 8.210 nan 0.000 0.454 532 V N 4.871 124.540 119.914 -0.409 0.000 2.540 532 V HA 0.570 4.695 4.120 0.009 0.000 0.302 532 V C -0.098 175.827 176.094 -0.282 0.000 1.035 532 V CA -0.477 61.634 62.300 -0.314 0.000 0.873 532 V CB 1.994 33.669 31.823 -0.245 0.000 0.992 532 V HN 0.713 nan 8.190 nan 0.000 0.428 533 T N 3.681 118.094 114.554 -0.235 0.000 2.792 533 T HA 0.319 4.674 4.350 0.009 0.000 0.280 533 T C -0.238 174.368 174.700 -0.156 0.000 0.990 533 T CA -0.441 61.509 62.100 -0.250 0.000 0.960 533 T CB 1.029 69.767 68.868 -0.216 0.000 0.939 533 T HN 0.612 nan 8.240 nan 0.000 0.439 534 N N 3.580 122.196 118.700 -0.141 0.000 2.437 534 N HA 0.214 4.959 4.740 0.009 0.000 0.243 534 N C 0.240 175.756 175.510 0.010 0.000 1.041 534 N CA -0.542 52.496 53.050 -0.019 0.000 0.940 534 N CB 0.307 38.816 38.487 0.037 0.000 1.133 534 N HN 0.571 nan 8.380 nan 0.000 0.506 535 L N 1.341 122.591 121.223 0.045 0.000 2.653 535 L HA 0.245 4.590 4.340 0.009 0.000 0.231 535 L C 0.089 177.022 176.870 0.104 0.000 1.153 535 L CA -0.197 54.688 54.840 0.074 0.000 0.933 535 L CB -0.108 42.008 42.059 0.094 0.000 1.175 535 L HN 0.357 nan 8.230 nan 0.000 0.473 536 D N 1.349 121.825 120.400 0.127 0.000 2.414 536 D HA 0.016 4.662 4.640 0.009 0.000 0.242 536 D C 0.656 177.016 176.300 0.100 0.000 1.129 536 D CA 0.473 54.551 54.000 0.131 0.000 0.885 536 D CB 1.216 42.122 40.800 0.177 0.000 1.198 536 D HN 0.284 nan 8.370 nan 0.000 0.437 537 E N 0.675 120.927 120.200 0.086 0.000 2.583 537 E HA 0.186 4.541 4.350 0.009 0.000 0.213 537 E C 0.092 176.728 176.600 0.060 0.000 0.989 537 E CA -0.201 56.243 56.400 0.074 0.000 0.991 537 E CB 0.717 30.457 29.700 0.067 0.000 1.040 537 E HN 0.368 nan 8.360 nan 0.000 0.481 538 I N 2.259 122.863 120.570 0.058 0.000 2.441 538 I HA 0.029 4.204 4.170 0.009 0.000 0.287 538 I C 0.479 176.615 176.117 0.032 0.000 1.049 538 I CA -0.605 60.721 61.300 0.043 0.000 1.381 538 I CB 0.566 38.594 38.000 0.047 0.000 1.409 538 I HN -0.069 nan 8.210 nan 0.000 0.523 539 D N 5.672 126.086 120.400 0.023 0.000 2.533 539 D HA -0.122 4.523 4.640 0.009 0.000 0.236 539 D C 0.696 177.002 176.300 0.010 0.000 1.137 539 D CA 1.074 55.082 54.000 0.013 0.000 0.867 539 D CB 0.470 41.273 40.800 0.006 0.000 1.170 539 D HN 0.621 nan 8.370 nan 0.000 0.474 540 D N 1.356 121.759 120.400 0.005 0.000 2.911 540 D HA -0.216 4.429 4.640 0.009 0.000 0.199 540 D C -0.085 176.208 176.300 -0.012 0.000 1.041 540 D CA 0.308 54.312 54.000 0.006 0.000 1.013 540 D CB -1.026 39.784 40.800 0.017 0.000 1.093 540 D HN 0.312 nan 8.370 nan 0.000 0.431 541 L N 2.098 123.302 121.223 -0.032 0.000 2.466 541 L HA 0.349 4.694 4.340 0.009 0.000 0.248 541 L C -0.117 176.611 176.870 -0.236 0.000 1.240 541 L CA 0.277 55.060 54.840 -0.095 0.000 1.180 541 L CB -0.007 42.030 42.059 -0.036 0.000 1.413 541 L HN -0.100 nan 8.230 nan 0.000 0.406 542 T N 2.752 117.149 114.554 -0.261 0.000 2.889 542 T HA 0.427 4.783 4.350 0.009 0.000 0.291 542 T C -0.173 174.246 174.700 -0.468 0.000 0.995 542 T CA -0.249 61.612 62.100 -0.399 0.000 1.092 542 T CB 0.624 69.123 68.868 -0.615 0.000 0.954 542 T HN 0.350 nan 8.240 nan 0.000 0.506 543 H N -0.131 118.873 119.070 -0.110 0.000 2.754 543 H HA 0.714 5.275 4.556 0.008 0.000 0.352 543 H C 0.318 175.710 175.328 0.105 0.000 1.213 543 H CA -0.724 55.364 56.048 0.068 0.000 1.244 543 H CB 1.902 31.682 29.762 0.029 0.000 1.843 543 H HN 0.818 nan 8.280 nan 0.000 0.587 544 G N -0.214 108.879 108.800 0.488 0.000 2.658 544 G HA2 0.465 4.430 3.960 0.009 0.000 0.292 544 G HA3 0.465 4.430 3.960 0.009 0.000 0.292 544 G C -2.005 173.193 174.900 0.497 0.000 1.320 544 G CA -0.539 44.854 45.100 0.489 0.000 0.933 544 G HN 0.363 nan 8.290 nan 0.000 0.476 545 F N 1.132 121.208 119.950 0.210 0.000 2.499 545 F HA 0.648 5.181 4.527 0.009 0.000 0.333 545 F C -0.371 175.397 175.800 -0.054 0.000 1.138 545 F CA -0.435 57.617 58.000 0.086 0.000 0.945 545 F CB 2.243 41.213 39.000 -0.049 0.000 1.181 545 F HN 0.381 nan 8.300 nan 0.000 0.435 546 T N 7.183 121.294 114.554 -0.737 0.000 2.824 546 T HA 0.390 4.745 4.350 0.009 0.000 0.282 546 T C -0.807 173.408 174.700 -0.809 0.000 0.993 546 T CA -0.448 61.232 62.100 -0.699 0.000 0.967 546 T CB 1.344 69.654 68.868 -0.930 0.000 0.960 546 T HN 0.577 nan 8.240 nan 0.000 0.441 547 M N 3.573 122.879 119.600 -0.489 0.000 2.061 547 M HA 0.525 5.010 4.480 0.009 0.000 0.346 547 M C 0.536 176.773 176.300 -0.105 0.000 1.112 547 M CA -0.686 54.415 55.300 -0.331 0.000 1.021 547 M CB 0.190 32.526 32.600 -0.439 0.000 1.530 547 M HN 0.681 nan 8.290 nan 0.000 0.437 548 G N 4.024 112.868 108.800 0.073 0.000 2.225 548 G HA2 0.109 4.074 3.960 0.009 0.000 0.245 548 G HA3 0.109 4.074 3.960 0.009 0.000 0.245 548 G C 0.388 175.428 174.900 0.234 0.000 1.249 548 G CA -0.188 45.039 45.100 0.211 0.000 0.919 548 G HN 0.985 nan 8.290 nan 0.000 0.486 549 N N 0.133 118.914 118.700 0.134 0.000 2.778 549 N HA -0.182 4.563 4.740 0.009 0.000 0.249 549 N C 0.573 175.974 175.510 -0.181 0.000 1.069 549 N CA 1.689 54.753 53.050 0.023 0.000 0.831 549 N CB -1.194 37.340 38.487 0.077 0.000 1.142 549 N HN 0.806 nan 8.380 nan 0.000 0.573 550 H N -1.150 117.800 119.070 -0.199 0.000 2.672 550 H HA 0.442 5.004 4.556 0.009 0.000 0.277 550 H C 1.401 176.594 175.328 -0.225 0.000 1.074 550 H CA 0.525 56.403 56.048 -0.284 0.000 1.173 550 H CB 0.335 29.766 29.762 -0.552 0.000 1.558 550 H HN 0.305 nan 8.280 nan 0.000 0.539 551 G N 1.035 109.794 108.800 -0.069 0.000 2.295 551 G HA2 -0.228 3.737 3.960 0.009 0.000 0.287 551 G HA3 -0.228 3.737 3.960 0.009 0.000 0.287 551 G C -0.487 174.386 174.900 -0.045 0.000 1.055 551 G CA 0.564 45.638 45.100 -0.043 0.000 0.922 551 G HN 0.269 nan 8.290 nan 0.000 0.503 552 V N -0.431 119.434 119.914 -0.082 0.000 2.623 552 V HA 0.892 5.017 4.120 0.009 0.000 0.304 552 V C 0.135 176.203 176.094 -0.043 0.000 1.054 552 V CA -0.105 62.153 62.300 -0.069 0.000 0.882 552 V CB 1.844 33.548 31.823 -0.198 0.000 1.002 552 V HN 1.688 nan 8.190 nan 0.000 0.424 553 A N 6.757 129.595 122.820 0.030 0.000 2.491 553 A HA 0.932 5.257 4.320 0.009 0.000 0.293 553 A C -0.925 176.745 177.584 0.143 0.000 1.047 553 A CA -0.539 51.531 52.037 0.054 0.000 0.735 553 A CB 1.829 20.848 19.000 0.031 0.000 1.281 553 A HN 1.107 nan 8.150 nan 0.000 0.398 554 M N 0.851 120.571 119.600 0.200 0.000 2.575 554 M HA 0.730 5.215 4.480 0.009 0.000 0.284 554 M C -0.652 175.799 176.300 0.251 0.000 1.253 554 M CA -0.531 54.893 55.300 0.208 0.000 0.861 554 M CB 1.941 34.620 32.600 0.132 0.000 1.733 554 M HN 0.678 nan 8.290 nan 0.000 0.462 555 E N 1.359 121.657 120.200 0.162 0.000 2.266 555 E HA 0.551 4.906 4.350 0.009 0.000 0.277 555 E C -1.623 174.884 176.600 -0.155 0.000 1.018 555 E CA -0.731 55.598 56.400 -0.119 0.000 0.840 555 E CB 1.644 31.184 29.700 -0.266 0.000 1.082 555 E HN 0.652 nan 8.360 nan 0.000 0.395 556 V N 4.128 123.907 119.914 -0.226 0.000 2.380 556 V HA 0.347 4.472 4.120 0.009 0.000 0.272 556 V C 0.576 176.540 176.094 -0.216 0.000 1.011 556 V CA -0.667 61.514 62.300 -0.200 0.000 0.826 556 V CB 0.994 32.762 31.823 -0.091 0.000 1.040 556 V HN 0.783 nan 8.190 nan 0.000 0.441 557 G N 4.610 113.288 108.800 -0.204 0.000 2.651 557 G HA2 0.474 4.439 3.960 0.009 0.000 0.260 557 G HA3 0.474 4.439 3.960 0.009 0.000 0.260 557 G C -2.547 172.374 174.900 0.036 0.000 1.216 557 G CA -1.279 43.795 45.100 -0.043 0.000 0.913 557 G HN 0.493 nan 8.290 nan 0.000 0.535 558 P HA 0.046 nan 4.420 nan 0.000 0.263 558 P C -0.170 177.253 177.300 0.206 0.000 1.195 558 P CA 0.377 63.552 63.100 0.126 0.000 0.762 558 P CB 0.921 32.684 31.700 0.106 0.000 0.799 559 Q N -1.512 118.351 119.800 0.105 0.000 2.416 559 Q HA -0.258 4.088 4.340 0.009 0.000 0.235 559 Q C 0.213 176.182 176.000 -0.051 0.000 0.773 559 Q CA 1.260 57.121 55.803 0.097 0.000 1.286 559 Q CB -1.965 26.906 28.738 0.222 0.000 1.556 559 Q HN 0.701 nan 8.270 nan 0.000 0.650 560 Q N 0.533 120.139 119.800 -0.323 0.000 2.293 560 Q HA 0.348 4.694 4.340 0.009 0.000 0.251 560 Q C -0.713 174.656 176.000 -1.051 0.000 0.930 560 Q CA 0.248 55.455 55.803 -0.993 0.000 0.893 560 Q CB 0.953 29.057 28.738 -1.056 0.000 1.215 560 Q HN 0.057 nan 8.270 nan 0.000 0.425 561 T N 2.642 116.107 114.554 -1.815 0.000 2.797 561 T HA 0.512 4.867 4.350 0.009 0.000 0.279 561 T C -1.071 173.091 174.700 -0.897 0.000 0.991 561 T CA -0.512 60.853 62.100 -1.224 0.000 0.979 561 T CB 1.394 69.515 68.868 -1.244 0.000 0.943 561 T HN 0.529 nan 8.240 nan 0.000 0.444 562 S N 1.737 117.132 115.700 -0.509 0.000 2.569 562 S HA 0.863 5.339 4.470 0.009 0.000 0.280 562 S C -0.748 173.695 174.600 -0.262 0.000 1.111 562 S CA -0.979 57.035 58.200 -0.310 0.000 0.887 562 S CB 1.906 64.965 63.200 -0.236 0.000 1.095 562 S HN 0.868 nan 8.310 nan 0.000 0.476 563 S N -0.028 115.559 115.700 -0.189 0.000 2.556 563 S HA 0.861 5.336 4.470 0.009 0.000 0.271 563 S C -1.376 173.139 174.600 -0.141 0.000 1.135 563 S CA -0.812 57.260 58.200 -0.214 0.000 0.858 563 S CB 1.654 64.720 63.200 -0.222 0.000 1.114 563 S HN 0.843 nan 8.310 nan 0.000 0.468 564 V N 1.148 120.975 119.914 -0.145 0.000 2.932 564 V HA 0.771 4.896 4.120 0.009 0.000 0.307 564 V C -1.256 174.830 176.094 -0.014 0.000 1.147 564 V CA -0.078 62.198 62.300 -0.039 0.000 0.951 564 V CB 2.368 34.214 31.823 0.038 0.000 1.031 564 V HN 1.181 nan 8.190 nan 0.000 0.426 565 T N 6.927 121.492 114.554 0.018 0.000 2.829 565 T HA 0.848 5.203 4.350 0.009 0.000 0.280 565 T C -1.015 173.759 174.700 0.122 0.000 0.999 565 T CA -0.158 61.919 62.100 -0.039 0.000 0.983 565 T CB 1.119 69.929 68.868 -0.096 0.000 0.968 565 T HN 0.841 nan 8.240 nan 0.000 0.446 566 F N -0.229 119.696 119.950 -0.041 0.000 2.654 566 F HA 0.769 5.302 4.527 0.009 0.000 0.308 566 F C -1.453 174.354 175.800 0.011 0.000 1.108 566 F CA -1.485 56.515 58.000 0.001 0.000 0.957 566 F CB 0.636 39.662 39.000 0.043 0.000 1.309 566 F HN 0.258 nan 8.300 nan 0.000 0.446 567 V N 2.279 122.290 119.914 0.161 0.000 2.465 567 V HA 0.634 4.759 4.120 0.009 0.000 0.279 567 V C 0.402 176.660 176.094 0.273 0.000 1.045 567 V CA -0.373 61.977 62.300 0.083 0.000 0.938 567 V CB 1.164 33.020 31.823 0.055 0.000 0.986 567 V HN 1.060 nan 8.190 nan 0.000 0.467 568 A N 4.074 127.011 122.820 0.195 0.000 2.807 568 A HA 0.621 4.946 4.320 0.009 0.000 0.307 568 A C 1.268 178.949 177.584 0.162 0.000 1.532 568 A CA 0.275 52.490 52.037 0.297 0.000 1.215 568 A CB 0.183 19.317 19.000 0.223 0.000 1.127 568 A HN 1.171 nan 8.150 nan 0.000 0.543 569 A N 2.632 125.514 122.820 0.103 0.000 2.016 569 A HA 0.078 4.403 4.320 0.009 0.000 0.217 569 A C 0.822 178.442 177.584 0.059 0.000 1.162 569 A CA 0.636 52.703 52.037 0.050 0.000 0.662 569 A CB -0.024 18.981 19.000 0.007 0.000 0.812 569 A HN 0.641 nan 8.150 nan 0.000 0.450 570 N N 0.211 118.957 118.700 0.076 0.000 2.314 570 N HA 0.435 5.180 4.740 0.009 0.000 0.294 570 N C -3.188 172.468 175.510 0.244 0.000 1.029 570 N CA -1.483 51.644 53.050 0.128 0.000 0.845 570 N CB 1.690 40.252 38.487 0.125 0.000 1.321 570 N HN 0.011 nan 8.380 nan 0.000 0.481 571 P HA 0.379 nan 4.420 nan 0.000 0.272 571 P C 0.376 177.815 177.300 0.231 0.000 1.240 571 P CA 0.225 63.447 63.100 0.204 0.000 0.791 571 P CB 0.606 32.374 31.700 0.113 0.000 0.978 572 G N -1.439 107.450 108.800 0.149 0.000 2.353 572 G HA2 0.089 4.054 3.960 0.009 0.000 0.615 572 G HA3 0.089 4.054 3.960 0.009 0.000 0.615 572 G C -1.625 173.163 174.900 -0.187 0.000 1.280 572 G CA -0.397 44.667 45.100 -0.059 0.000 1.000 572 G HN 0.598 nan 8.290 nan 0.000 0.516 573 V N 0.233 119.887 119.914 -0.433 0.000 2.532 573 V HA 0.887 5.012 4.120 0.009 0.000 0.295 573 V C -0.927 174.659 176.094 -0.846 0.000 1.041 573 V CA -0.682 61.342 62.300 -0.460 0.000 0.926 573 V CB 1.127 32.792 31.823 -0.263 0.000 0.992 573 V HN 0.911 nan 8.190 nan 0.000 0.457 574 Y N 3.518 123.653 120.300 -0.275 0.000 2.534 574 Y HA 0.517 5.072 4.550 0.008 0.000 0.345 574 Y C -0.908 174.786 175.900 -0.343 0.000 1.031 574 Y CA -0.693 57.319 58.100 -0.148 0.000 1.022 574 Y CB 1.610 40.063 38.460 -0.012 0.000 1.292 574 Y HN 0.638 nan 8.280 nan 0.000 0.459 575 W N 3.232 124.521 121.300 -0.018 0.000 2.390 575 W HA 0.482 5.147 4.660 0.008 0.000 0.312 575 W C -0.829 175.648 176.519 -0.071 0.000 1.123 575 W CA -0.772 56.478 57.345 -0.157 0.000 1.202 575 W CB 0.670 30.046 29.460 -0.141 0.000 1.251 575 W HN 0.403 nan 8.180 nan 0.000 0.511 576 Y N 2.287 122.624 120.300 0.062 0.000 2.387 576 Y HA 0.735 5.290 4.550 0.008 0.000 0.330 576 Y C -0.598 175.304 175.900 0.003 0.000 1.133 576 Y CA -2.223 55.742 58.100 -0.226 0.000 1.152 576 Y CB 0.513 38.605 38.460 -0.613 0.000 1.215 576 Y HN 0.493 nan 8.280 nan 0.000 0.466 577 Y N 0.312 120.582 120.300 -0.049 0.000 2.625 577 Y HA 0.578 5.133 4.550 0.008 0.000 0.338 577 Y C -1.283 174.766 175.900 0.248 0.000 1.123 577 Y CA -2.472 55.710 58.100 0.138 0.000 1.046 577 Y CB 0.613 39.070 38.460 -0.005 0.000 1.299 577 Y HN 1.028 nan 8.280 nan 0.000 0.464 578 C N 4.289 123.855 119.300 0.443 0.000 2.394 578 C HA 0.261 4.727 4.460 0.009 0.000 0.362 578 C C 1.111 176.356 174.990 0.424 0.000 1.268 578 C CA 0.018 59.267 59.018 0.385 0.000 1.828 578 C CB -0.183 27.711 27.740 0.256 0.000 2.442 578 C HN 0.958 nan 8.230 nan 0.000 0.549 579 Q N 4.661 124.679 119.800 0.363 0.000 2.319 579 Q HA 0.066 4.411 4.340 0.009 0.000 0.202 579 Q C 0.067 176.254 176.000 0.312 0.000 0.896 579 Q CA 0.320 56.340 55.803 0.361 0.000 0.942 579 Q CB 0.132 28.943 28.738 0.122 0.000 1.083 579 Q HN 0.883 nan 8.270 nan 0.000 0.510 580 W N 1.231 122.705 121.300 0.290 0.000 2.283 580 W HA 0.335 5.001 4.660 0.010 0.000 0.317 580 W C -0.928 175.570 176.519 -0.036 0.000 1.042 580 W CA -1.466 55.961 57.345 0.136 0.000 1.348 580 W CB 0.533 30.049 29.460 0.095 0.000 1.216 580 W HN -0.040 nan 8.180 nan 0.000 0.404 581 F N 4.651 124.428 119.950 -0.288 0.000 2.571 581 F HA -0.093 4.439 4.527 0.008 0.000 0.390 581 F C 1.341 177.047 175.800 -0.156 0.000 1.043 581 F CA 0.833 58.443 58.000 -0.650 0.000 1.164 581 F CB 0.507 39.230 39.000 -0.461 0.000 1.049 581 F HN 0.381 nan 8.300 nan 0.000 0.552 582 C N 3.704 123.015 119.300 0.018 0.000 3.931 582 C HA 0.432 4.897 4.460 0.009 0.000 0.378 582 C C -0.097 175.043 174.990 0.249 0.000 1.554 582 C CA -0.283 58.822 59.018 0.144 0.000 1.926 582 C CB -0.856 26.957 27.740 0.122 0.000 2.837 582 C HN 0.815 nan 8.230 nan 0.000 0.701 583 H N -1.123 118.027 119.070 0.133 0.000 3.020 583 H HA 0.389 4.950 4.556 0.008 0.000 0.303 583 H C 0.690 176.114 175.328 0.161 0.000 1.332 583 H CA 0.457 56.586 56.048 0.134 0.000 1.282 583 H CB 1.670 31.495 29.762 0.106 0.000 1.928 583 H HN 0.003 nan 8.280 nan 0.000 0.519 584 A N 2.841 125.669 122.820 0.014 0.000 1.986 584 A HA -0.104 4.221 4.320 0.009 0.000 0.220 584 A C 1.701 179.438 177.584 0.255 0.000 1.171 584 A CA 1.565 53.704 52.037 0.171 0.000 0.640 584 A CB -0.383 18.646 19.000 0.048 0.000 0.811 584 A HN 0.448 nan 8.150 nan 0.000 0.451 585 L N -0.875 120.601 121.223 0.423 0.000 2.783 585 L HA 0.119 4.464 4.340 0.009 0.000 0.236 585 L C 1.642 178.544 176.870 0.052 0.000 1.225 585 L CA 0.056 55.008 54.840 0.186 0.000 1.026 585 L CB -0.435 41.698 42.059 0.123 0.000 1.314 585 L HN 0.583 nan 8.230 nan 0.000 0.489 586 H N 0.798 119.789 119.070 -0.133 0.000 2.352 586 H HA -0.206 4.355 4.556 0.008 0.000 0.299 586 H C 2.162 177.357 175.328 -0.222 0.000 1.097 586 H CA 1.944 57.808 56.048 -0.307 0.000 1.311 586 H CB 0.304 29.508 29.762 -0.930 0.000 1.377 586 H HN 0.134 nan 8.280 nan 0.000 0.504 587 M N 0.326 119.744 119.600 -0.303 0.000 2.213 587 M HA -0.096 4.389 4.480 0.009 0.000 0.263 587 M C 1.490 177.640 176.300 -0.251 0.000 1.062 587 M CA 1.371 56.488 55.300 -0.305 0.000 1.105 587 M CB -0.708 31.809 32.600 -0.138 0.000 1.385 587 M HN 0.371 nan 8.290 nan 0.000 0.417 588 E N -0.343 119.760 120.200 -0.160 0.000 2.502 588 E HA 0.067 4.422 4.350 0.009 0.000 0.194 588 E C 0.731 177.295 176.600 -0.061 0.000 1.062 588 E CA 0.007 56.344 56.400 -0.105 0.000 0.867 588 E CB -0.277 29.390 29.700 -0.054 0.000 0.888 588 E HN 0.363 nan 8.360 nan 0.000 0.510 589 M N 2.597 122.138 119.600 -0.097 0.000 3.213 589 M HA 0.137 4.622 4.480 0.009 0.000 0.275 589 M C -0.594 175.814 176.300 0.181 0.000 1.424 589 M CA 0.035 55.308 55.300 -0.044 0.000 1.561 589 M CB -0.386 32.109 32.600 -0.175 0.000 1.109 589 M HN -0.082 nan 8.290 nan 0.000 0.552 590 R N 1.503 122.153 120.500 0.250 0.000 2.752 590 R HA 0.963 5.309 4.340 0.009 0.000 0.271 590 R C -1.147 175.270 176.300 0.195 0.000 1.026 590 R CA -1.109 55.170 56.100 0.299 0.000 0.901 590 R CB 1.235 31.634 30.300 0.164 0.000 1.243 590 R HN 0.419 nan 8.270 nan 0.000 0.463 591 G N 0.619 109.239 108.800 -0.300 0.000 2.608 591 G HA2 0.547 4.512 3.960 0.009 0.000 0.291 591 G HA3 0.547 4.512 3.960 0.009 0.000 0.291 591 G C -1.724 172.309 174.900 -1.444 0.000 1.425 591 G CA -1.196 43.451 45.100 -0.755 0.000 0.787 591 G HN 0.406 nan 8.290 nan 0.000 0.484 592 R N -0.198 119.574 120.500 -1.215 0.000 2.445 592 R HA 0.596 4.941 4.340 0.009 0.000 0.308 592 R C -0.052 175.663 176.300 -0.975 0.000 0.961 592 R CA -0.541 54.752 56.100 -1.346 0.000 0.862 592 R CB 2.183 31.478 30.300 -1.675 0.000 1.144 592 R HN 0.535 nan 8.270 nan 0.000 0.447 593 M N 4.089 123.194 119.600 -0.824 0.000 2.113 593 M HA 0.407 4.892 4.480 0.009 0.000 0.352 593 M C -1.429 174.459 176.300 -0.687 0.000 1.170 593 M CA -0.307 54.425 55.300 -0.947 0.000 1.053 593 M CB 0.553 32.764 32.600 -0.648 0.000 1.601 593 M HN 0.504 nan 8.290 nan 0.000 0.459 594 F N 4.703 124.450 119.950 -0.339 0.000 2.405 594 F HA 0.461 4.993 4.527 0.009 0.000 0.355 594 F C -0.268 175.494 175.800 -0.063 0.000 1.121 594 F CA -0.865 57.034 58.000 -0.168 0.000 1.112 594 F CB 1.169 40.081 39.000 -0.146 0.000 1.126 594 F HN 0.193 nan 8.300 nan 0.000 0.481 595 V N 3.661 123.703 119.914 0.212 0.000 2.313 595 V HA 0.200 4.325 4.120 0.009 0.000 0.278 595 V C -0.087 176.097 176.094 0.149 0.000 1.017 595 V CA -0.965 61.451 62.300 0.193 0.000 0.823 595 V CB 0.890 32.882 31.823 0.281 0.000 1.010 595 V HN 0.705 nan 8.190 nan 0.000 0.443 596 E N 6.316 126.579 120.200 0.106 0.000 2.338 596 E HA 0.269 4.624 4.350 0.009 0.000 0.272 596 E C -2.235 174.401 176.600 0.060 0.000 1.029 596 E CA -1.559 54.880 56.400 0.065 0.000 0.872 596 E CB 0.993 30.717 29.700 0.040 0.000 1.015 596 E HN 0.446 nan 8.360 nan 0.000 0.417 597 P HA 0.000 nan 4.420 nan 0.000 0.216 597 P CA 0.000 63.125 63.100 0.041 0.000 0.800 597 P CB 0.000 31.717 31.700 0.028 0.000 0.726