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 2npi_1_B DATA FIRST_RESID 18 DATA SEQUENCE TGDNEWHKLV IPKGSDWQID LKAEGKLIVK VNSGIVEIFG TELAVDDEYT DATA SEQUENCE FQNWKFPIYA VEETELLWKC PDLTTNTITV KPNHTXKYIY NLHFXLEKIR DATA SEQUENCE XSNFEGPRVV IVGGSQTGKT SLSRTLCSYA LKFNAYQPLY INLDPQQPIF DATA SEQUENCE TVPGCISATP ISDILDAQLP TWGQSLTSGA TLLHNKQPXV KNFGLERINE DATA SEQUENCE NKDLYLECIS QLGQVVGQRL HLDPQVRRSG CIVDTPSISQ LDENLAELHH DATA SEQUENCE IIEKLNVNIX LVLCSETDPL WEKVKKTFGP ELGNNNIFFI PKLDGVSAVD DATA SEQUENCE DVYKRSLQRT SIREYFYGSL DTALSPYAIG VDYEDLTIWK PSNVFDNEVG DATA SEQUENCE RVELFPVTIT PSNLQHAIIA ITFAERRADQ ATVIKSPILG FALITEVNEK DATA SEQUENCE RRKLRVLLPV PGRLPSKAXI LTSYRYLE 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 18 T HA 0.000 nan 4.350 nan 0.000 0.228 18 T C 0.000 174.732 174.700 0.054 0.000 1.109 18 T CA 0.000 62.122 62.100 0.036 0.000 1.349 18 T CB 0.000 68.887 68.868 0.031 0.000 0.612 19 G N 0.882 109.722 108.800 0.066 0.000 2.614 19 G HA2 0.490 4.450 3.960 0.000 0.000 0.239 19 G HA3 0.490 4.450 3.960 0.000 0.000 0.239 19 G C -0.783 174.176 174.900 0.098 0.000 1.240 19 G CA 0.217 45.377 45.100 0.099 0.000 0.842 19 G HN 0.734 nan 8.290 nan 0.000 0.584 20 D N -1.306 119.177 120.400 0.139 0.000 2.601 20 D HA 0.302 4.943 4.640 0.000 0.000 0.230 20 D C 0.139 176.466 176.300 0.046 0.000 1.106 20 D CA -0.772 53.295 54.000 0.112 0.000 0.873 20 D CB 1.441 42.380 40.800 0.232 0.000 1.515 20 D HN 0.112 nan 8.370 nan 0.000 0.468 21 N N 1.363 120.038 118.700 -0.041 0.000 2.275 21 N HA 0.169 4.909 4.740 0.000 0.000 0.236 21 N C -0.814 174.543 175.510 -0.255 0.000 1.154 21 N CA -0.000 52.979 53.050 -0.117 0.000 0.866 21 N CB 0.615 39.053 38.487 -0.082 0.000 1.093 21 N HN 0.396 nan 8.380 nan 0.000 0.515 22 E N -1.141 118.861 120.200 -0.330 0.000 2.281 22 E HA 0.383 4.734 4.350 0.000 0.000 0.257 22 E C -0.718 175.435 176.600 -0.744 0.000 0.971 22 E CA -0.651 55.460 56.400 -0.482 0.000 0.839 22 E CB 1.354 30.855 29.700 -0.332 0.000 1.238 22 E HN 0.030 nan 8.360 nan 0.000 0.412 23 W N 1.089 122.092 121.300 -0.495 0.000 2.150 23 W HA 0.218 4.878 4.660 0.000 0.000 0.341 23 W C 0.291 176.237 176.519 -0.955 0.000 1.276 23 W CA 0.165 57.173 57.345 -0.562 0.000 1.238 23 W CB 0.505 29.795 29.460 -0.283 0.000 1.128 23 W HN 0.242 nan 8.180 nan 0.000 0.581 24 H N 1.202 120.027 119.070 -0.407 0.000 2.679 24 H HA 0.216 4.772 4.556 0.000 0.000 0.360 24 H C -0.862 174.294 175.328 -0.285 0.000 1.105 24 H CA -1.265 54.482 56.048 -0.501 0.000 1.196 24 H CB 2.001 31.201 29.762 -0.937 0.000 1.636 24 H HN 0.300 nan 8.280 nan 0.000 0.531 25 K N 3.745 124.151 120.400 0.010 0.000 2.276 25 K HA 0.280 4.600 4.320 0.000 0.000 0.285 25 K C -0.991 175.657 176.600 0.079 0.000 1.062 25 K CA -0.522 55.787 56.287 0.038 0.000 0.918 25 K CB 0.630 33.135 32.500 0.008 0.000 1.055 25 K HN 0.314 nan 8.250 nan 0.000 0.477 26 L N 6.018 127.298 121.223 0.094 0.000 2.381 26 L HA 0.422 4.762 4.340 0.000 0.000 0.274 26 L C -1.522 175.309 176.870 -0.065 0.000 0.988 26 L CA -0.760 54.081 54.840 0.002 0.000 0.824 26 L CB 1.919 43.930 42.059 -0.081 0.000 1.263 26 L HN 0.431 nan 8.230 nan 0.000 0.410 27 V N 6.697 126.560 119.914 -0.084 0.000 2.328 27 V HA 0.384 4.505 4.120 0.000 0.000 0.278 27 V C 0.257 176.285 176.094 -0.111 0.000 1.021 27 V CA -0.503 61.750 62.300 -0.077 0.000 0.838 27 V CB 1.703 33.494 31.823 -0.053 0.000 0.999 27 V HN 0.677 nan 8.190 nan 0.000 0.447 28 I N 8.009 128.513 120.570 -0.110 0.000 2.315 28 I HA 0.515 4.685 4.170 0.000 0.000 0.291 28 I C -2.319 173.741 176.117 -0.095 0.000 1.006 28 I CA -2.263 58.969 61.300 -0.113 0.000 1.265 28 I CB 2.138 40.078 38.000 -0.101 0.000 1.387 28 I HN 0.428 nan 8.210 nan 0.000 0.475 29 P HA 0.068 nan 4.420 nan 0.000 0.275 29 P C -1.250 175.981 177.300 -0.115 0.000 1.228 29 P CA -0.465 62.585 63.100 -0.084 0.000 0.786 29 P CB 0.474 32.134 31.700 -0.066 0.000 0.927 30 K N 1.852 122.187 120.400 -0.109 0.000 2.530 30 K HA 0.114 4.434 4.320 0.000 0.000 0.280 30 K C 0.990 177.499 176.600 -0.152 0.000 1.004 30 K CA 1.180 57.381 56.287 -0.144 0.000 1.071 30 K CB -0.904 31.543 32.500 -0.089 0.000 0.876 30 K HN 0.806 nan 8.250 nan 0.000 0.487 31 G N 2.211 110.844 108.800 -0.277 0.000 2.141 31 G HA2 -0.221 3.740 3.960 0.000 0.000 0.242 31 G HA3 -0.221 3.740 3.960 0.000 0.000 0.242 31 G C -0.324 174.559 174.900 -0.029 0.000 0.982 31 G CA 0.236 45.267 45.100 -0.115 0.000 0.662 31 G HN 0.603 nan 8.290 nan 0.000 0.527 32 S N 0.271 115.874 115.700 -0.162 0.000 2.578 32 S HA 0.638 5.108 4.470 0.000 0.000 0.301 32 S C -0.757 173.853 174.600 0.017 0.000 1.091 32 S CA -0.755 57.420 58.200 -0.043 0.000 1.032 32 S CB 1.811 64.971 63.200 -0.066 0.000 1.064 32 S HN 0.273 nan 8.310 nan 0.000 0.508 33 D N 1.281 121.725 120.400 0.073 0.000 2.168 33 D HA 0.159 4.799 4.640 0.000 0.000 0.246 33 D C -1.017 175.315 176.300 0.053 0.000 1.050 33 D CA -0.299 53.737 54.000 0.060 0.000 0.857 33 D CB 1.102 41.907 40.800 0.009 0.000 1.169 33 D HN 0.520 nan 8.370 nan 0.000 0.453 34 W N 3.729 124.912 121.300 -0.195 0.000 2.360 34 W HA 0.176 4.836 4.660 0.000 0.000 0.344 34 W C -0.329 175.974 176.519 -0.360 0.000 1.025 34 W CA -0.854 56.336 57.345 -0.258 0.000 1.480 34 W CB -0.165 29.136 29.460 -0.266 0.000 1.350 34 W HN 0.220 nan 8.180 nan 0.000 0.382 35 Q N 5.406 125.102 119.800 -0.173 0.000 2.286 35 Q HA 0.252 4.592 4.340 0.000 0.000 0.265 35 Q C -0.278 175.351 176.000 -0.618 0.000 1.080 35 Q CA 0.356 55.922 55.803 -0.396 0.000 0.906 35 Q CB 0.923 29.525 28.738 -0.227 0.000 1.227 35 Q HN 0.429 nan 8.270 nan 0.000 0.409 36 I N 2.259 122.218 120.570 -1.017 0.000 2.362 36 I HA 0.200 4.370 4.170 0.000 0.000 0.289 36 I C -0.554 175.051 176.117 -0.853 0.000 0.994 36 I CA -0.645 59.964 61.300 -1.152 0.000 1.158 36 I CB 1.490 38.370 38.000 -1.866 0.000 1.315 36 I HN 0.475 nan 8.210 nan 0.000 0.451 37 D N 7.756 127.837 120.400 -0.532 0.000 2.462 37 D HA 0.447 5.088 4.640 0.000 0.000 0.245 37 D C -0.981 175.178 176.300 -0.235 0.000 1.122 37 D CA -0.213 53.571 54.000 -0.359 0.000 0.864 37 D CB 0.978 41.614 40.800 -0.272 0.000 1.098 37 D HN 0.296 nan 8.370 nan 0.000 0.541 38 L N 3.122 124.255 121.223 -0.150 0.000 2.325 38 L HA 0.556 4.897 4.340 0.000 0.000 0.279 38 L C 0.363 177.269 176.870 0.060 0.000 1.054 38 L CA -0.658 54.173 54.840 -0.014 0.000 0.804 38 L CB 1.367 43.480 42.059 0.090 0.000 1.200 38 L HN 0.191 nan 8.230 nan 0.000 0.436 39 K N 1.475 121.915 120.400 0.066 0.000 2.477 39 K HA 0.793 5.113 4.320 0.000 0.000 0.255 39 K C -0.233 176.422 176.600 0.092 0.000 0.952 39 K CA 0.004 56.342 56.287 0.085 0.000 0.826 39 K CB 2.246 34.774 32.500 0.047 0.000 1.331 39 K HN 0.728 nan 8.250 nan 0.000 0.437 40 A N 0.734 123.613 122.820 0.098 0.000 5.823 40 A HA -0.290 4.030 4.320 0.000 0.000 0.273 40 A C 1.181 178.824 177.584 0.099 0.000 2.094 40 A CA 1.190 53.279 52.037 0.086 0.000 0.713 40 A CB -1.282 17.757 19.000 0.066 0.000 1.132 40 A HN 0.930 nan 8.150 nan 0.000 0.363 41 E N 0.526 120.776 120.200 0.084 0.000 2.004 41 E HA 0.215 4.565 4.350 0.000 0.000 0.194 41 E C 1.310 177.973 176.600 0.106 0.000 0.981 41 E CA 0.867 57.319 56.400 0.087 0.000 0.842 41 E CB -0.742 28.997 29.700 0.066 0.000 0.796 41 E HN 2.411 nan 8.360 nan 0.000 0.477 42 G N 3.801 112.657 108.800 0.094 0.000 2.557 42 G HA2 -0.284 3.676 3.960 0.000 0.000 0.299 42 G HA3 -0.284 3.676 3.960 0.000 0.000 0.299 42 G C -0.242 174.743 174.900 0.142 0.000 0.146 42 G CA 1.167 46.331 45.100 0.107 0.000 1.150 42 G HN 0.382 nan 8.290 nan 0.000 0.532 43 K N 2.546 123.033 120.400 0.144 0.000 2.154 43 K HA 0.629 4.949 4.320 0.000 0.000 0.264 43 K C -0.001 176.738 176.600 0.231 0.000 1.008 43 K CA -0.929 55.472 56.287 0.189 0.000 0.937 43 K CB 1.882 34.474 32.500 0.154 0.000 1.002 43 K HN 0.334 nan 8.250 nan 0.000 0.469 44 L N 4.161 125.579 121.223 0.325 0.000 2.305 44 L HA 0.445 4.785 4.340 0.000 0.000 0.284 44 L C -1.108 176.067 176.870 0.509 0.000 1.013 44 L CA -0.950 54.133 54.840 0.405 0.000 0.819 44 L CB 0.959 43.240 42.059 0.369 0.000 1.227 44 L HN 0.690 nan 8.230 nan 0.000 0.417 45 I N 5.382 126.235 120.570 0.473 0.000 2.354 45 I HA 0.409 4.579 4.170 0.000 0.000 0.292 45 I C -0.491 176.067 176.117 0.734 0.000 0.989 45 I CA -0.740 60.873 61.300 0.521 0.000 1.188 45 I CB 1.900 40.138 38.000 0.396 0.000 1.342 45 I HN 0.235 nan 8.210 nan 0.000 0.457 46 V N 6.176 126.528 119.914 0.729 0.000 2.604 46 V HA 0.431 4.551 4.120 0.000 0.000 0.305 46 V C -0.213 176.199 176.094 0.531 0.000 1.043 46 V CA -0.791 61.934 62.300 0.710 0.000 0.888 46 V CB 2.053 34.319 31.823 0.738 0.000 0.995 46 V HN 0.668 nan 8.190 nan 0.000 0.429 47 K N 3.809 124.427 120.400 0.363 0.000 2.616 47 K HA 0.566 4.886 4.320 0.000 0.000 0.241 47 K C -1.385 175.296 176.600 0.134 0.000 0.961 47 K CA -0.413 55.971 56.287 0.163 0.000 0.942 47 K CB 1.750 34.172 32.500 -0.131 0.000 1.153 47 K HN 0.510 nan 8.250 nan 0.000 0.452 48 V N 4.566 124.589 119.914 0.182 0.000 2.614 48 V HA 0.102 4.222 4.120 0.000 0.000 0.291 48 V C 0.923 177.058 176.094 0.068 0.000 1.049 48 V CA -0.061 62.317 62.300 0.130 0.000 1.038 48 V CB 1.013 32.924 31.823 0.147 0.000 0.980 48 V HN 0.968 nan 8.190 nan 0.000 0.481 49 N N 1.529 120.249 118.700 0.033 0.000 2.143 49 N HA 0.139 4.879 4.740 0.000 0.000 0.222 49 N C -0.218 175.297 175.510 0.008 0.000 1.264 49 N CA -0.028 53.026 53.050 0.007 0.000 0.897 49 N CB 1.088 39.559 38.487 -0.028 0.000 1.092 49 N HN 0.644 nan 8.380 nan 0.000 0.516 50 S N -0.681 115.029 115.700 0.016 0.000 2.583 50 S HA 0.627 5.098 4.470 0.000 0.000 0.294 50 S C -0.196 174.411 174.600 0.012 0.000 1.121 50 S CA -0.198 58.008 58.200 0.010 0.000 0.910 50 S CB 1.494 64.694 63.200 -0.001 0.000 1.102 50 S HN 0.632 nan 8.310 nan 0.000 0.451 51 G N 1.507 110.314 108.800 0.013 0.000 2.655 51 G HA2 0.151 4.112 3.960 0.000 0.000 0.680 51 G HA3 0.151 4.112 3.960 0.000 0.000 0.680 51 G C -1.320 173.592 174.900 0.020 0.000 1.302 51 G CA -0.516 44.589 45.100 0.008 0.000 0.872 51 G HN 1.299 nan 8.290 nan 0.000 0.540 52 I N 1.103 121.682 120.570 0.014 0.000 2.355 52 I HA 0.538 4.708 4.170 0.000 0.000 0.288 52 I C 0.670 176.798 176.117 0.018 0.000 0.999 52 I CA -0.876 60.444 61.300 0.032 0.000 1.163 52 I CB 0.604 38.636 38.000 0.052 0.000 1.316 52 I HN 0.883 nan 8.210 nan 0.000 0.454 53 V N 3.047 122.980 119.914 0.032 0.000 2.680 53 V HA 0.668 4.788 4.120 0.000 0.000 0.309 53 V C -0.359 175.759 176.094 0.040 0.000 1.052 53 V CA -0.713 61.603 62.300 0.027 0.000 0.908 53 V CB 2.359 34.204 31.823 0.036 0.000 1.001 53 V HN 0.704 nan 8.190 nan 0.000 0.431 54 E N 3.316 123.556 120.200 0.066 0.000 2.248 54 E HA 0.622 4.972 4.350 0.000 0.000 0.267 54 E C -1.358 175.224 176.600 -0.031 0.000 0.877 54 E CA -0.710 55.716 56.400 0.043 0.000 0.759 54 E CB 2.953 32.726 29.700 0.122 0.000 1.182 54 E HN 0.707 nan 8.360 nan 0.000 0.418 55 I N 3.765 124.290 120.570 -0.075 0.000 2.330 55 I HA 0.213 4.383 4.170 0.000 0.000 0.286 55 I C -0.469 175.587 176.117 -0.102 0.000 1.025 55 I CA -0.485 60.729 61.300 -0.143 0.000 1.197 55 I CB -0.011 37.982 38.000 -0.013 0.000 1.358 55 I HN 0.719 nan 8.210 nan 0.000 0.467 56 F N 5.271 125.135 119.950 -0.144 0.000 3.067 56 F HA -0.288 4.239 4.527 0.000 0.000 0.279 56 F C 1.535 177.084 175.800 -0.419 0.000 0.945 56 F CA 0.800 58.633 58.000 -0.277 0.000 0.948 56 F CB -1.603 37.213 39.000 -0.307 0.000 0.898 56 F HN 0.844 nan 8.300 nan 0.000 0.746 57 G N -1.558 107.053 108.800 -0.315 0.000 2.268 57 G HA2 -0.287 3.673 3.960 0.000 0.000 0.240 57 G HA3 -0.287 3.673 3.960 0.000 0.000 0.240 57 G C 0.217 174.971 174.900 -0.244 0.000 1.010 57 G CA 0.020 44.790 45.100 -0.549 0.000 0.618 57 G HN 0.541 nan 8.290 nan 0.000 0.516 58 T N 2.322 116.782 114.554 -0.157 0.000 2.779 58 T HA 0.450 4.801 4.350 0.000 0.000 0.296 58 T C 0.165 174.839 174.700 -0.044 0.000 0.938 58 T CA -0.014 62.036 62.100 -0.084 0.000 1.119 58 T CB 1.533 70.361 68.868 -0.066 0.000 0.891 58 T HN 0.364 nan 8.240 nan 0.000 0.526 59 E N 2.754 122.946 120.200 -0.013 0.000 2.324 59 E HA 0.146 4.496 4.350 0.000 0.000 0.271 59 E C -0.107 176.478 176.600 -0.025 0.000 1.028 59 E CA -0.282 56.121 56.400 0.006 0.000 0.890 59 E CB 0.569 30.289 29.700 0.034 0.000 1.004 59 E HN 0.503 nan 8.360 nan 0.000 0.431 60 L N 3.138 124.312 121.223 -0.082 0.000 2.410 60 L HA 0.160 4.500 4.340 0.000 0.000 0.273 60 L C 0.671 177.598 176.870 0.093 0.000 1.144 60 L CA -0.348 54.379 54.840 -0.189 0.000 0.863 60 L CB 0.658 42.564 42.059 -0.255 0.000 1.140 60 L HN 0.579 nan 8.230 nan 0.000 0.463 61 A N 3.616 126.625 122.820 0.315 0.000 2.327 61 A HA 0.276 4.596 4.320 0.000 0.000 0.255 61 A C 1.454 179.152 177.584 0.190 0.000 1.099 61 A CA -0.458 51.726 52.037 0.245 0.000 0.801 61 A CB 0.443 19.589 19.000 0.244 0.000 1.062 61 A HN 0.611 nan 8.150 nan 0.000 0.496 62 V N 0.395 120.379 119.914 0.116 0.000 2.240 62 V HA -0.283 3.837 4.120 0.000 0.000 0.257 62 V C 1.316 177.456 176.094 0.077 0.000 1.067 62 V CA 2.797 65.144 62.300 0.078 0.000 1.067 62 V CB -0.579 31.275 31.823 0.051 0.000 0.683 62 V HN 0.956 nan 8.190 nan 0.000 0.461 63 D N -1.709 118.733 120.400 0.070 0.000 2.881 63 D HA 0.177 4.817 4.640 0.000 0.000 0.325 63 D C -0.581 175.736 176.300 0.027 0.000 1.621 63 D CA -0.249 53.776 54.000 0.042 0.000 0.785 63 D CB 0.088 40.892 40.800 0.007 0.000 1.233 63 D HN 0.395 nan 8.370 nan 0.000 0.447 64 D N 0.392 120.824 120.400 0.054 0.000 2.388 64 D HA 0.237 4.877 4.640 0.000 0.000 0.254 64 D C 0.282 176.559 176.300 -0.038 0.000 1.111 64 D CA -0.106 53.861 54.000 -0.055 0.000 0.993 64 D CB 1.138 41.817 40.800 -0.202 0.000 1.118 64 D HN 0.039 nan 8.370 nan 0.000 0.502 65 E N 0.269 120.396 120.200 -0.122 0.000 2.109 65 E HA 0.229 4.579 4.350 0.000 0.000 0.278 65 E C -0.859 175.653 176.600 -0.146 0.000 0.954 65 E CA -0.416 55.984 56.400 0.001 0.000 0.779 65 E CB 0.929 30.675 29.700 0.077 0.000 1.093 65 E HN 0.292 nan 8.360 nan 0.000 0.401 66 Y N 1.161 121.523 120.300 0.104 0.000 2.331 66 Y HA 0.237 4.787 4.550 0.000 0.000 0.338 66 Y C 0.247 176.012 175.900 -0.225 0.000 0.992 66 Y CA -0.536 57.512 58.100 -0.087 0.000 1.121 66 Y CB 1.892 40.342 38.460 -0.017 0.000 1.184 66 Y HN 0.265 nan 8.280 nan 0.000 0.469 67 T N 5.068 119.441 114.554 -0.302 0.000 2.786 67 T HA 0.550 4.900 4.350 0.000 0.000 0.283 67 T C -0.941 173.537 174.700 -0.369 0.000 0.992 67 T CA -0.632 61.357 62.100 -0.184 0.000 0.954 67 T CB 0.100 68.950 68.868 -0.030 0.000 0.934 67 T HN 0.221 nan 8.240 nan 0.000 0.440 68 F N 1.416 121.510 119.950 0.239 0.000 2.538 68 F HA 0.663 5.190 4.527 0.000 0.000 0.325 68 F C 0.534 176.498 175.800 0.274 0.000 1.066 68 F CA -1.012 57.154 58.000 0.277 0.000 0.946 68 F CB 1.792 40.984 39.000 0.320 0.000 1.199 68 F HN 0.292 nan 8.300 nan 0.000 0.473 69 Q N 0.998 121.103 119.800 0.509 0.000 2.320 69 Q HA 0.214 4.554 4.340 0.000 0.000 0.272 69 Q C -0.846 175.433 176.000 0.464 0.000 1.023 69 Q CA -0.876 55.155 55.803 0.380 0.000 0.855 69 Q CB 2.257 31.130 28.738 0.225 0.000 1.367 69 Q HN 0.764 nan 8.270 nan 0.000 0.406 70 N N 2.929 121.862 118.700 0.389 0.000 2.688 70 N HA -0.153 4.587 4.740 0.000 0.000 0.258 70 N C -1.780 174.082 175.510 0.587 0.000 1.016 70 N CA 1.360 54.635 53.050 0.375 0.000 0.747 70 N CB -0.288 38.348 38.487 0.249 0.000 0.895 70 N HN 0.638 nan 8.380 nan 0.000 0.543 71 W N -0.019 121.467 121.300 0.310 0.000 3.064 71 W HA 0.418 5.078 4.660 0.000 0.000 0.328 71 W C -1.560 175.182 176.519 0.373 0.000 1.210 71 W CA -0.927 56.676 57.345 0.429 0.000 1.178 71 W CB -0.215 29.456 29.460 0.353 0.000 1.416 71 W HN 0.131 nan 8.180 nan 0.000 0.568 72 K N 1.801 122.289 120.400 0.147 0.000 2.164 72 K HA 0.838 5.158 4.320 0.000 0.000 0.258 72 K C -1.152 175.299 176.600 -0.249 0.000 0.951 72 K CA -0.426 55.717 56.287 -0.241 0.000 0.844 72 K CB 2.265 34.580 32.500 -0.308 0.000 1.099 72 K HN 0.588 nan 8.250 nan 0.000 0.435 73 F N -1.370 118.156 119.950 -0.707 0.000 2.708 73 F HA 0.473 5.001 4.527 0.000 0.000 0.309 73 F C -3.207 172.181 175.800 -0.687 0.000 1.120 73 F CA -2.249 55.331 58.000 -0.701 0.000 0.978 73 F CB 1.244 39.506 39.000 -1.230 0.000 1.283 73 F HN 0.375 nan 8.300 nan 0.000 0.439 74 P HA 0.515 nan 4.420 nan 0.000 0.284 74 P C -0.885 176.153 177.300 -0.436 0.000 1.258 74 P CA -0.354 62.423 63.100 -0.539 0.000 0.824 74 P CB 2.460 33.907 31.700 -0.422 0.000 1.038 75 I N 2.642 123.024 120.570 -0.312 0.000 2.428 75 I HA 0.215 4.385 4.170 0.000 0.000 0.279 75 I C -0.321 175.798 176.117 0.003 0.000 1.040 75 I CA -0.934 60.289 61.300 -0.129 0.000 1.171 75 I CB 0.580 38.534 38.000 -0.077 0.000 1.312 75 I HN 0.325 nan 8.210 nan 0.000 0.470 76 Y N 6.093 126.323 120.300 -0.117 0.000 2.336 76 Y HA 0.563 5.113 4.550 0.000 0.000 0.335 76 Y C 0.281 176.183 175.900 0.002 0.000 1.046 76 Y CA -0.743 57.322 58.100 -0.057 0.000 1.198 76 Y CB 1.142 39.563 38.460 -0.064 0.000 1.182 76 Y HN 0.591 nan 8.280 nan 0.000 0.502 77 A N 6.209 128.673 122.820 -0.594 0.000 2.279 77 A HA 0.423 4.744 4.320 0.000 0.000 0.306 77 A C 0.382 177.544 177.584 -0.704 0.000 1.300 77 A CA -0.502 51.255 52.037 -0.467 0.000 0.925 77 A CB 0.134 18.962 19.000 -0.286 0.000 1.152 77 A HN 0.842 nan 8.150 nan 0.000 0.544 78 V N 2.312 122.043 119.914 -0.305 0.000 2.591 78 V HA -0.013 4.108 4.120 0.000 0.000 0.249 78 V C 1.043 177.088 176.094 -0.081 0.000 1.053 78 V CA 1.704 63.952 62.300 -0.086 0.000 1.068 78 V CB -0.659 31.248 31.823 0.140 0.000 0.689 78 V HN 0.890 nan 8.190 nan 0.000 0.462 79 E N -0.894 119.255 120.200 -0.086 0.000 2.369 79 E HA 0.331 4.681 4.350 0.000 0.000 0.270 79 E C -0.556 175.996 176.600 -0.079 0.000 0.909 79 E CA -0.729 55.634 56.400 -0.061 0.000 0.775 79 E CB 1.962 31.648 29.700 -0.023 0.000 1.270 79 E HN 0.312 nan 8.360 nan 0.000 0.445 80 E N 0.767 120.929 120.200 -0.063 0.000 2.480 80 E HA 0.021 4.371 4.350 0.000 0.000 0.258 80 E C -1.115 175.458 176.600 -0.046 0.000 0.984 80 E CA 0.629 56.992 56.400 -0.061 0.000 0.930 80 E CB 0.492 30.163 29.700 -0.047 0.000 0.936 80 E HN 0.249 nan 8.360 nan 0.000 0.466 81 T N 4.874 119.398 114.554 -0.049 0.000 2.812 81 T HA 0.207 4.557 4.350 0.000 0.000 0.282 81 T C -0.753 173.934 174.700 -0.021 0.000 0.990 81 T CA -0.656 61.428 62.100 -0.026 0.000 0.960 81 T CB 1.284 70.142 68.868 -0.017 0.000 0.948 81 T HN 0.482 nan 8.240 nan 0.000 0.438 82 E N 3.245 123.440 120.200 -0.008 0.000 2.156 82 E HA 0.585 4.935 4.350 0.000 0.000 0.279 82 E C -1.162 175.450 176.600 0.021 0.000 0.965 82 E CA -0.868 55.530 56.400 -0.004 0.000 0.789 82 E CB 0.513 30.207 29.700 -0.011 0.000 1.098 82 E HN 0.508 nan 8.360 nan 0.000 0.397 83 L N 1.776 123.024 121.223 0.042 0.000 2.466 83 L HA 0.553 4.893 4.340 0.000 0.000 0.258 83 L C -1.702 175.251 176.870 0.137 0.000 0.973 83 L CA -0.899 53.999 54.840 0.098 0.000 0.826 83 L CB 1.168 43.326 42.059 0.166 0.000 1.372 83 L HN 0.422 nan 8.230 nan 0.000 0.409 84 L N 3.217 124.512 121.223 0.119 0.000 2.307 84 L HA 0.638 4.978 4.340 0.000 0.000 0.282 84 L C -0.841 176.300 176.870 0.452 0.000 1.051 84 L CA -0.268 54.651 54.840 0.130 0.000 0.804 84 L CB 1.386 43.330 42.059 -0.192 0.000 1.197 84 L HN 0.833 nan 8.230 nan 0.000 0.431 85 W N 3.466 125.056 121.300 0.485 0.000 3.022 85 W HA 0.632 5.292 4.660 0.000 0.000 0.335 85 W C -1.673 175.171 176.519 0.542 0.000 1.133 85 W CA -1.104 56.605 57.345 0.608 0.000 1.219 85 W CB 1.386 31.157 29.460 0.518 0.000 1.409 85 W HN 0.522 nan 8.180 nan 0.000 0.507 86 K N 2.758 123.438 120.400 0.467 0.000 2.397 86 K HA 0.744 5.064 4.320 0.000 0.000 0.253 86 K C -1.681 175.130 176.600 0.351 0.000 0.932 86 K CA -0.433 55.847 56.287 -0.011 0.000 0.795 86 K CB 1.931 33.973 32.500 -0.763 0.000 1.159 86 K HN 0.657 nan 8.250 nan 0.000 0.424 87 C N 4.113 123.685 119.300 0.454 0.000 3.094 87 C HA 0.362 4.822 4.460 0.000 0.000 0.414 87 C C -2.309 172.893 174.990 0.352 0.000 0.993 87 C CA -1.037 58.236 59.018 0.426 0.000 1.217 87 C CB 1.692 29.734 27.740 0.503 0.000 1.603 87 C HN 0.847 nan 8.230 nan 0.000 0.564 88 P HA 0.089 nan 4.420 nan 0.000 0.233 88 P C 0.603 177.989 177.300 0.144 0.000 1.167 88 P CA 1.282 64.468 63.100 0.144 0.000 0.770 88 P CB 0.195 31.946 31.700 0.085 0.000 0.837 89 D N -1.356 119.136 120.400 0.153 0.000 2.349 89 D HA 0.109 4.749 4.640 0.000 0.000 0.214 89 D C 0.313 176.672 176.300 0.098 0.000 1.063 89 D CA 0.271 54.334 54.000 0.105 0.000 0.847 89 D CB 0.610 41.458 40.800 0.079 0.000 0.933 89 D HN 0.145 nan 8.370 nan 0.000 0.513 90 L N 0.222 121.547 121.223 0.171 0.000 2.322 90 L HA 0.380 4.720 4.340 0.000 0.000 0.269 90 L C 0.044 177.073 176.870 0.265 0.000 1.012 90 L CA -0.206 54.706 54.840 0.121 0.000 0.815 90 L CB 2.222 44.214 42.059 -0.111 0.000 1.295 90 L HN -0.300 nan 8.230 nan 0.000 0.438 91 T N -0.815 113.836 114.554 0.160 0.000 2.893 91 T HA 0.268 4.619 4.350 0.000 0.000 0.293 91 T C 0.926 175.700 174.700 0.123 0.000 1.027 91 T CA -0.474 61.710 62.100 0.141 0.000 0.988 91 T CB 1.623 70.525 68.868 0.057 0.000 1.043 91 T HN 0.637 nan 8.240 nan 0.000 0.461 92 T N 2.178 116.769 114.554 0.063 0.000 2.737 92 T HA -0.173 4.177 4.350 0.000 0.000 0.269 92 T C 1.705 176.411 174.700 0.009 0.000 1.040 92 T CA 1.788 63.916 62.100 0.047 0.000 1.142 92 T CB -0.285 68.546 68.868 -0.063 0.000 0.861 92 T HN 0.543 nan 8.240 nan 0.000 0.456 93 N N 0.836 119.535 118.700 -0.002 0.000 2.250 93 N HA -0.018 4.722 4.740 0.000 0.000 0.181 93 N C 1.427 176.926 175.510 -0.019 0.000 1.017 93 N CA 1.023 54.066 53.050 -0.012 0.000 0.866 93 N CB -0.334 38.148 38.487 -0.008 0.000 0.985 93 N HN 0.363 nan 8.380 nan 0.000 0.429 94 T N 0.253 114.800 114.554 -0.013 0.000 3.278 94 T HA 0.303 4.653 4.350 0.000 0.000 0.251 94 T C 0.532 175.209 174.700 -0.038 0.000 1.039 94 T CA -0.092 61.995 62.100 -0.023 0.000 0.935 94 T CB -0.286 68.573 68.868 -0.015 0.000 1.034 94 T HN 0.098 nan 8.240 nan 0.000 0.575 95 I N 2.273 122.811 120.570 -0.053 0.000 2.474 95 I HA 0.162 4.332 4.170 0.000 0.000 0.287 95 I C 0.145 176.237 176.117 -0.041 0.000 1.048 95 I CA -0.180 61.082 61.300 -0.064 0.000 1.383 95 I CB 1.117 38.989 38.000 -0.213 0.000 1.412 95 I HN 0.050 nan 8.210 nan 0.000 0.531 96 T N 6.099 120.674 114.554 0.034 0.000 2.756 96 T HA 0.448 4.798 4.350 0.000 0.000 0.290 96 T C -0.347 174.392 174.700 0.065 0.000 0.985 96 T CA -0.448 61.661 62.100 0.015 0.000 0.955 96 T CB 1.162 70.015 68.868 -0.025 0.000 0.930 96 T HN 0.195 nan 8.240 nan 0.000 0.451 97 V N 4.994 124.903 119.914 -0.009 0.000 2.443 97 V HA 0.489 4.609 4.120 0.000 0.000 0.293 97 V C -0.254 175.828 176.094 -0.020 0.000 1.021 97 V CA -0.850 61.441 62.300 -0.016 0.000 0.848 97 V CB 1.517 33.288 31.823 -0.087 0.000 0.998 97 V HN 0.736 nan 8.190 nan 0.000 0.424 98 K N 5.038 125.431 120.400 -0.012 0.000 2.422 98 K HA 0.587 4.907 4.320 0.000 0.000 0.251 98 K C -2.951 173.636 176.600 -0.021 0.000 0.933 98 K CA -2.005 54.276 56.287 -0.011 0.000 0.798 98 K CB 2.924 35.421 32.500 -0.004 0.000 1.238 98 K HN 0.290 nan 8.250 nan 0.000 0.428 99 P HA 0.012 nan 4.420 nan 0.000 0.271 99 P C -0.931 176.251 177.300 -0.197 0.000 1.216 99 P CA -0.250 62.764 63.100 -0.143 0.000 0.776 99 P CB 0.434 32.005 31.700 -0.215 0.000 0.881 100 N N 1.905 120.519 118.700 -0.143 0.000 2.444 100 N HA 0.094 4.835 4.740 0.000 0.000 0.262 100 N C 0.283 175.698 175.510 -0.158 0.000 0.974 100 N CA -0.174 52.828 53.050 -0.080 0.000 0.933 100 N CB 0.363 38.875 38.487 0.043 0.000 1.137 100 N HN 0.397 nan 8.380 nan 0.000 0.498 101 H N 1.245 120.383 119.070 0.113 0.000 2.586 101 H HA 0.176 4.732 4.556 0.000 0.000 0.273 101 H C 0.058 175.492 175.328 0.175 0.000 0.997 101 H CA 0.249 56.374 56.048 0.127 0.000 1.177 101 H CB 0.865 30.691 29.762 0.107 0.000 1.471 101 H HN 0.409 nan 8.280 nan 0.000 0.538 105 Y N 2.612 122.963 120.300 0.084 0.000 2.256 105 Y HA 0.005 4.556 4.550 0.000 0.000 0.288 105 Y C 2.247 178.162 175.900 0.025 0.000 1.155 105 Y CA 1.793 59.916 58.100 0.038 0.000 1.203 105 Y CB -0.345 38.125 38.460 0.016 0.000 0.980 105 Y HN 0.077 nan 8.280 nan 0.000 0.530 106 I N -2.079 118.573 120.570 0.136 0.000 2.333 106 I HA -0.262 3.908 4.170 0.000 0.000 0.246 106 I C 1.740 177.894 176.117 0.062 0.000 1.106 106 I CA 1.008 62.330 61.300 0.035 0.000 1.411 106 I CB -0.594 37.353 38.000 -0.087 0.000 1.082 106 I HN 0.127 nan 8.210 nan 0.000 0.420 107 Y N 2.308 122.709 120.300 0.168 0.000 2.036 107 Y HA -0.316 4.234 4.550 0.000 0.000 0.273 107 Y C 2.565 178.640 175.900 0.292 0.000 1.135 107 Y CA 1.966 60.195 58.100 0.216 0.000 1.106 107 Y CB -0.739 37.820 38.460 0.166 0.000 0.976 107 Y HN 0.351 nan 8.280 nan 0.000 0.483 108 N N 0.585 119.484 118.700 0.331 0.000 2.573 108 N HA -0.132 4.608 4.740 0.000 0.000 0.187 108 N C 1.290 176.859 175.510 0.100 0.000 1.107 108 N CA 0.902 54.069 53.050 0.195 0.000 0.918 108 N CB -0.615 37.903 38.487 0.052 0.000 0.966 108 N HN 0.415 nan 8.380 nan 0.000 0.448 109 L N -0.207 121.068 121.223 0.086 0.000 2.168 109 L HA 0.083 4.423 4.340 0.000 0.000 0.203 109 L C 2.478 179.335 176.870 -0.022 0.000 1.078 109 L CA 1.289 56.112 54.840 -0.028 0.000 0.780 109 L CB -0.784 41.262 42.059 -0.022 0.000 0.939 109 L HN 0.259 nan 8.230 nan 0.000 0.451 110 H N -0.552 118.496 119.070 -0.037 0.000 2.290 110 H HA -0.109 4.447 4.556 0.000 0.000 0.298 110 H C 0.553 175.760 175.328 -0.202 0.000 1.087 110 H CA 1.577 57.545 56.048 -0.133 0.000 1.291 110 H CB -0.417 29.226 29.762 -0.197 0.000 1.369 110 H HN 0.233 nan 8.280 nan 0.000 0.492 114 E N 0.018 120.028 120.200 -0.318 0.000 2.274 114 E HA -0.141 4.210 4.350 0.000 0.000 0.194 114 E C 1.512 178.055 176.600 -0.096 0.000 0.996 114 E CA 0.623 56.869 56.400 -0.257 0.000 0.840 114 E CB 0.367 29.875 29.700 -0.321 0.000 0.772 114 E HN 0.110 nan 8.360 nan 0.000 0.491 115 K N 0.661 121.018 120.400 -0.071 0.000 2.057 115 K HA -0.110 4.210 4.320 0.000 0.000 0.206 115 K C 1.954 178.535 176.600 -0.033 0.000 1.050 115 K CA 0.696 56.969 56.287 -0.024 0.000 0.935 115 K CB -0.135 32.354 32.500 -0.018 0.000 0.715 115 K HN 0.209 nan 8.250 nan 0.000 0.439 116 I N 1.055 121.586 120.570 -0.065 0.000 2.315 116 I HA -0.168 4.002 4.170 0.000 0.000 0.248 116 I C 1.349 177.424 176.117 -0.070 0.000 1.117 116 I CA 0.752 62.015 61.300 -0.061 0.000 1.404 116 I CB -0.926 37.036 38.000 -0.064 0.000 1.071 116 I HN 0.109 nan 8.210 nan 0.000 0.419 120 N N 0.517 119.215 118.700 -0.003 0.000 2.445 120 N HA 0.399 5.139 4.740 0.000 0.000 0.264 120 N C 0.065 175.650 175.510 0.125 0.000 1.227 120 N CA -0.160 52.854 53.050 -0.060 0.000 0.963 120 N CB 0.425 38.866 38.487 -0.077 0.000 1.188 120 N HN 0.144 nan 8.380 nan 0.000 0.491 121 F N -0.120 119.837 119.950 0.012 0.000 2.407 121 F HA -0.054 4.473 4.527 0.000 0.000 0.299 121 F C 1.280 177.087 175.800 0.011 0.000 1.097 121 F CA 0.343 58.350 58.000 0.013 0.000 1.422 121 F CB 0.272 39.279 39.000 0.012 0.000 1.067 121 F HN 0.466 nan 8.300 nan 0.000 0.539 122 E N 0.218 120.524 120.200 0.176 0.000 2.446 122 E HA 0.401 4.751 4.350 0.000 0.000 0.276 122 E C -0.483 176.140 176.600 0.038 0.000 0.969 122 E CA -0.830 55.627 56.400 0.094 0.000 0.800 122 E CB 1.046 30.796 29.700 0.083 0.000 1.341 122 E HN -0.038 nan 8.360 nan 0.000 0.460 123 G N 0.937 109.743 108.800 0.010 0.000 2.636 123 G HA2 0.385 4.345 3.960 0.000 0.000 0.246 123 G HA3 0.385 4.345 3.960 0.000 0.000 0.246 123 G C -2.239 172.645 174.900 -0.027 0.000 1.216 123 G CA -0.901 44.176 45.100 -0.038 0.000 0.854 123 G HN 0.367 nan 8.290 nan 0.000 0.572 124 P HA 0.241 nan 4.420 nan 0.000 0.282 124 P C -0.688 176.608 177.300 -0.006 0.000 1.262 124 P CA -0.238 62.850 63.100 -0.021 0.000 0.773 124 P CB 1.042 32.721 31.700 -0.035 0.000 0.879 125 R N 2.313 122.817 120.500 0.006 0.000 2.215 125 R HA 0.465 4.806 4.340 0.000 0.000 0.337 125 R C -0.494 175.815 176.300 0.015 0.000 1.010 125 R CA -0.776 55.329 56.100 0.008 0.000 0.871 125 R CB 0.953 31.254 30.300 0.002 0.000 1.134 125 R HN 0.283 nan 8.270 nan 0.000 0.477 126 V N 4.064 123.992 119.914 0.023 0.000 2.459 126 V HA 0.346 4.466 4.120 0.000 0.000 0.295 126 V C 0.170 176.281 176.094 0.028 0.000 1.029 126 V CA -0.994 61.327 62.300 0.036 0.000 0.874 126 V CB 1.819 33.670 31.823 0.046 0.000 0.985 126 V HN 0.490 nan 8.190 nan 0.000 0.438 127 V N 3.136 123.060 119.914 0.016 0.000 2.427 127 V HA 0.643 4.764 4.120 0.000 0.000 0.286 127 V C -0.329 175.783 176.094 0.030 0.000 1.034 127 V CA -0.603 61.696 62.300 -0.002 0.000 0.893 127 V CB 1.239 33.021 31.823 -0.069 0.000 0.982 127 V HN 0.673 nan 8.190 nan 0.000 0.452 128 I N 4.905 125.503 120.570 0.046 0.000 2.312 128 I HA 0.540 4.710 4.170 0.000 0.000 0.290 128 I C -0.349 175.798 176.117 0.050 0.000 1.008 128 I CA -0.472 60.869 61.300 0.067 0.000 1.226 128 I CB 1.559 39.614 38.000 0.091 0.000 1.371 128 I HN 0.420 nan 8.210 nan 0.000 0.468 129 V N 5.108 125.055 119.914 0.055 0.000 2.769 129 V HA 0.978 5.099 4.120 0.000 0.000 0.312 129 V C 0.353 176.491 176.094 0.074 0.000 1.061 129 V CA -0.360 61.967 62.300 0.045 0.000 0.931 129 V CB 1.803 33.635 31.823 0.015 0.000 1.010 129 V HN 0.982 nan 8.190 nan 0.000 0.433 130 G N 1.586 110.425 108.800 0.065 0.000 2.349 130 G HA2 0.570 4.530 3.960 0.000 0.000 0.294 130 G HA3 0.570 4.530 3.960 0.000 0.000 0.294 130 G C -0.352 174.582 174.900 0.056 0.000 1.380 130 G CA -0.031 45.111 45.100 0.070 0.000 0.811 130 G HN 1.020 nan 8.290 nan 0.000 0.519 131 G N -0.712 108.120 108.800 0.053 0.000 2.588 131 G HA2 0.449 4.409 3.960 0.000 0.000 0.278 131 G HA3 0.449 4.409 3.960 0.000 0.000 0.278 131 G C 0.477 175.400 174.900 0.038 0.000 1.307 131 G CA 0.603 45.728 45.100 0.043 0.000 1.016 131 G HN 1.158 nan 8.290 nan 0.000 0.503 132 S N -0.463 115.257 115.700 0.033 0.000 2.498 132 S HA 0.186 4.656 4.470 0.000 0.000 0.281 132 S C 0.311 174.934 174.600 0.038 0.000 1.265 132 S CA 0.250 58.470 58.200 0.033 0.000 1.071 132 S CB -0.072 63.145 63.200 0.029 0.000 0.894 132 S HN 0.515 nan 8.310 nan 0.000 0.491 133 Q N 2.139 121.966 119.800 0.046 0.000 2.447 133 Q HA -0.159 4.181 4.340 0.000 0.000 0.348 133 Q C 0.879 176.906 176.000 0.045 0.000 1.421 133 Q CA 1.148 56.982 55.803 0.052 0.000 0.978 133 Q CB -1.908 26.863 28.738 0.055 0.000 1.191 133 Q HN 0.863 nan 8.270 nan 0.000 0.371 134 T N -4.643 109.938 114.554 0.046 0.000 3.023 134 T HA 0.473 4.823 4.350 0.000 0.000 0.253 134 T C 1.322 176.047 174.700 0.042 0.000 1.038 134 T CA 0.362 62.485 62.100 0.038 0.000 0.962 134 T CB 1.027 69.918 68.868 0.038 0.000 1.018 134 T HN 1.053 nan 8.240 nan 0.000 0.521 135 G N 2.655 111.488 108.800 0.055 0.000 2.192 135 G HA2 -0.257 3.703 3.960 0.000 0.000 0.193 135 G HA3 -0.257 3.703 3.960 0.000 0.000 0.193 135 G C 0.984 175.922 174.900 0.064 0.000 0.999 135 G CA 0.284 45.422 45.100 0.064 0.000 0.659 135 G HN 0.602 nan 8.290 nan 0.000 0.503 136 K N 0.435 120.875 120.400 0.067 0.000 2.097 136 K HA -0.065 4.255 4.320 0.000 0.000 0.206 136 K C 1.856 178.517 176.600 0.102 0.000 1.049 136 K CA 2.104 58.439 56.287 0.080 0.000 0.933 136 K CB -0.925 31.623 32.500 0.079 0.000 0.717 136 K HN 0.270 nan 8.250 nan 0.000 0.442 137 T N 1.666 116.279 114.554 0.097 0.000 2.737 137 T HA -0.056 4.294 4.350 0.000 0.000 0.265 137 T C 2.157 176.891 174.700 0.057 0.000 1.038 137 T CA 1.738 63.921 62.100 0.137 0.000 1.144 137 T CB -0.209 68.727 68.868 0.113 0.000 0.866 137 T HN 0.364 nan 8.240 nan 0.000 0.434 138 S N 1.867 117.529 115.700 -0.063 0.000 2.359 138 S HA -0.019 4.451 4.470 0.000 0.000 0.224 138 S C 1.967 176.528 174.600 -0.066 0.000 1.035 138 S CA 0.666 58.742 58.200 -0.207 0.000 1.018 138 S CB -0.601 62.661 63.200 0.105 0.000 0.876 138 S HN 0.285 nan 8.310 nan 0.000 0.448 139 L N 1.842 123.073 121.223 0.013 0.000 2.042 139 L HA -0.125 4.215 4.340 0.000 0.000 0.210 139 L C 2.109 178.979 176.870 0.000 0.000 1.076 139 L CA 1.701 56.549 54.840 0.013 0.000 0.749 139 L CB -1.266 40.819 42.059 0.044 0.000 0.893 139 L HN 0.274 nan 8.230 nan 0.000 0.432 140 S N -0.225 115.510 115.700 0.059 0.000 2.359 140 S HA -0.235 4.235 4.470 0.000 0.000 0.224 140 S C 1.964 176.518 174.600 -0.078 0.000 1.035 140 S CA 1.560 59.838 58.200 0.130 0.000 1.018 140 S CB -0.325 63.093 63.200 0.364 0.000 0.876 140 S HN 0.426 nan 8.310 nan 0.000 0.448 141 R N 0.590 120.864 120.500 -0.375 0.000 2.096 141 R HA -0.084 4.257 4.340 0.000 0.000 0.235 141 R C 2.114 178.078 176.300 -0.560 0.000 1.127 141 R CA 1.687 57.183 56.100 -1.007 0.000 0.968 141 R CB -0.423 29.015 30.300 -1.438 0.000 0.861 141 R HN 0.373 nan 8.270 nan 0.000 0.440 142 T N 1.056 115.401 114.554 -0.348 0.000 2.812 142 T HA -0.051 4.299 4.350 0.000 0.000 0.264 142 T C 1.782 176.244 174.700 -0.396 0.000 1.042 142 T CA 0.915 62.767 62.100 -0.413 0.000 1.140 142 T CB -0.071 68.613 68.868 -0.308 0.000 0.870 142 T HN 0.150 nan 8.240 nan 0.000 0.445 143 L N 0.493 121.622 121.223 -0.157 0.000 2.046 143 L HA -0.114 4.226 4.340 0.000 0.000 0.208 143 L C 2.881 179.766 176.870 0.026 0.000 1.077 143 L CA 0.948 55.790 54.840 0.004 0.000 0.747 143 L CB -0.660 41.441 42.059 0.071 0.000 0.896 143 L HN 0.402 nan 8.230 nan 0.000 0.432 144 C N -1.352 117.929 119.300 -0.031 0.000 2.436 144 C HA -0.178 4.282 4.460 0.000 0.000 0.277 144 C C 3.298 178.272 174.990 -0.026 0.000 1.241 144 C CA 1.330 60.359 59.018 0.018 0.000 1.721 144 C CB -0.611 27.143 27.740 0.023 0.000 2.043 144 C HN 0.540 nan 8.230 nan 0.000 0.472 145 S N -1.151 114.446 115.700 -0.172 0.000 2.383 145 S HA -0.168 4.302 4.470 0.000 0.000 0.229 145 S C 1.632 176.166 174.600 -0.110 0.000 1.030 145 S CA 1.490 59.576 58.200 -0.190 0.000 1.002 145 S CB -0.430 62.568 63.200 -0.337 0.000 0.829 145 S HN 0.736 nan 8.310 nan 0.000 0.467 146 Y N 0.724 120.922 120.300 -0.170 0.000 2.314 146 Y HA 0.027 4.577 4.550 0.000 0.000 0.293 146 Y C 2.700 178.553 175.900 -0.078 0.000 1.129 146 Y CA 0.272 58.192 58.100 -0.299 0.000 1.201 146 Y CB -0.245 37.800 38.460 -0.691 0.000 0.999 146 Y HN 0.396 nan 8.280 nan 0.000 0.541 147 A N -0.106 122.881 122.820 0.278 0.000 2.019 147 A HA -0.183 4.137 4.320 0.000 0.000 0.219 147 A C 2.058 179.851 177.584 0.349 0.000 1.164 147 A CA 1.285 53.571 52.037 0.415 0.000 0.644 147 A CB -0.711 18.451 19.000 0.270 0.000 0.805 147 A HN 0.535 nan 8.150 nan 0.000 0.449 148 L N -1.468 119.870 121.223 0.191 0.000 2.307 148 L HA 0.106 4.446 4.340 0.000 0.000 0.211 148 L C 2.245 179.139 176.870 0.041 0.000 1.099 148 L CA 1.246 56.158 54.840 0.120 0.000 0.816 148 L CB -0.139 41.962 42.059 0.069 0.000 0.952 148 L HN 0.323 nan 8.230 nan 0.000 0.455 149 K N -0.899 119.473 120.400 -0.047 0.000 2.097 149 K HA -0.102 4.218 4.320 0.000 0.000 0.205 149 K C 1.620 178.006 176.600 -0.356 0.000 1.050 149 K CA 1.759 57.864 56.287 -0.303 0.000 0.938 149 K CB -0.035 32.106 32.500 -0.597 0.000 0.718 149 K HN 0.276 nan 8.250 nan 0.000 0.442 150 F N -0.323 119.711 119.950 0.140 0.000 2.315 150 F HA 0.133 4.660 4.527 0.000 0.000 0.284 150 F C 1.540 177.392 175.800 0.086 0.000 1.049 150 F CA 0.303 58.389 58.000 0.143 0.000 1.323 150 F CB 0.208 39.343 39.000 0.224 0.000 1.113 150 F HN -0.092 nan 8.300 nan 0.000 0.544 151 N N 0.316 119.158 118.700 0.236 0.000 2.328 151 N HA 0.286 5.026 4.740 0.000 0.000 0.247 151 N C 0.286 175.623 175.510 -0.288 0.000 1.165 151 N CA 0.635 53.649 53.050 -0.059 0.000 0.873 151 N CB 0.862 39.261 38.487 -0.146 0.000 1.125 151 N HN 0.153 nan 8.380 nan 0.000 0.513 152 A N 0.453 123.219 122.820 -0.090 0.000 2.748 152 A HA -0.272 4.048 4.320 0.000 0.000 0.297 152 A C -0.056 177.469 177.584 -0.098 0.000 1.508 152 A CA 0.819 52.810 52.037 -0.077 0.000 0.799 152 A CB -2.527 16.427 19.000 -0.078 0.000 1.011 152 A HN 0.493 nan 8.150 nan 0.000 0.500 153 Y N -1.305 119.041 120.300 0.077 0.000 2.223 153 Y HA 0.366 4.916 4.550 0.000 0.000 0.352 153 Y C 1.497 177.432 175.900 0.058 0.000 1.293 153 Y CA 0.975 59.117 58.100 0.069 0.000 1.601 153 Y CB 0.348 38.859 38.460 0.084 0.000 1.407 153 Y HN 0.500 nan 8.280 nan 0.000 0.639 154 Q N 2.009 121.970 119.800 0.268 0.000 3.316 154 Q HA 0.257 4.598 4.340 0.000 0.000 0.295 154 Q C -2.860 173.222 176.000 0.136 0.000 0.805 154 Q CA -1.940 53.955 55.803 0.153 0.000 0.914 154 Q CB 0.761 29.561 28.738 0.104 0.000 1.514 154 Q HN 0.281 nan 8.270 nan 0.000 0.387 155 P HA 0.056 nan 4.420 nan 0.000 0.275 155 P C -0.671 176.711 177.300 0.137 0.000 1.228 155 P CA -0.509 62.665 63.100 0.123 0.000 0.786 155 P CB 1.114 32.891 31.700 0.129 0.000 0.927 156 L N 4.351 125.642 121.223 0.114 0.000 2.261 156 L HA 0.294 4.635 4.340 0.000 0.000 0.289 156 L C -0.522 176.446 176.870 0.162 0.000 1.059 156 L CA -0.828 54.078 54.840 0.110 0.000 0.816 156 L CB -0.460 41.630 42.059 0.052 0.000 1.191 156 L HN 0.275 nan 8.230 nan 0.000 0.431 157 Y N 5.903 126.261 120.300 0.097 0.000 2.336 157 Y HA 0.576 5.126 4.550 0.000 0.000 0.335 157 Y C -0.524 175.407 175.900 0.052 0.000 1.046 157 Y CA -0.470 57.700 58.100 0.118 0.000 1.198 157 Y CB 0.669 39.274 38.460 0.241 0.000 1.182 157 Y HN 0.524 nan 8.280 nan 0.000 0.502 158 I N 6.484 126.612 120.570 -0.736 0.000 2.382 158 I HA 0.197 4.367 4.170 0.000 0.000 0.286 158 I C -0.914 174.675 176.117 -0.881 0.000 1.002 158 I CA -0.761 60.161 61.300 -0.630 0.000 1.135 158 I CB 1.408 39.240 38.000 -0.279 0.000 1.288 158 I HN 0.625 nan 8.210 nan 0.000 0.448 159 N N 7.049 125.321 118.700 -0.713 0.000 2.437 159 N HA 0.407 5.147 4.740 0.000 0.000 0.259 159 N C -0.127 175.254 175.510 -0.215 0.000 0.983 159 N CA -0.322 52.455 53.050 -0.456 0.000 0.937 159 N CB 1.157 39.438 38.487 -0.344 0.000 1.122 159 N HN 0.594 nan 8.380 nan 0.000 0.499 160 L N 0.992 122.138 121.223 -0.128 0.000 2.766 160 L HA 0.303 4.643 4.340 0.000 0.000 0.242 160 L C -0.003 176.907 176.870 0.066 0.000 1.136 160 L CA -0.098 54.727 54.840 -0.025 0.000 0.933 160 L CB 0.122 42.172 42.059 -0.016 0.000 1.241 160 L HN 0.482 nan 8.230 nan 0.000 0.522 161 D N 1.639 122.036 120.400 -0.005 0.000 2.428 161 D HA 0.149 4.789 4.640 0.000 0.000 0.221 161 D C -1.392 174.892 176.300 -0.026 0.000 1.123 161 D CA -2.214 51.774 54.000 -0.021 0.000 0.869 161 D CB 1.452 42.234 40.800 -0.028 0.000 1.032 161 D HN -0.121 nan 8.370 nan 0.000 0.506 162 P HA -0.204 nan 4.420 nan 0.000 0.216 162 P C 1.214 178.526 177.300 0.020 0.000 1.150 162 P CA 1.080 64.213 63.100 0.055 0.000 0.837 162 P CB 0.384 32.198 31.700 0.189 0.000 0.786 163 Q N -0.557 119.267 119.800 0.040 0.000 2.152 163 Q HA -0.180 4.160 4.340 0.000 0.000 0.206 163 Q C 1.182 177.144 176.000 -0.064 0.000 0.985 163 Q CA 1.030 56.854 55.803 0.035 0.000 0.863 163 Q CB -0.387 28.376 28.738 0.041 0.000 0.904 163 Q HN 0.238 nan 8.270 nan 0.000 0.422 164 Q N 1.582 121.332 119.800 -0.084 0.000 2.323 164 Q HA 0.114 4.455 4.340 0.000 0.000 0.257 164 Q C -2.445 173.434 176.000 -0.201 0.000 1.022 164 Q CA -2.126 53.599 55.803 -0.129 0.000 0.919 164 Q CB 1.003 29.678 28.738 -0.104 0.000 1.220 164 Q HN -0.037 nan 8.270 nan 0.000 0.427 165 P HA 0.274 nan 4.420 nan 0.000 0.287 165 P C -0.975 176.113 177.300 -0.353 0.000 1.307 165 P CA 0.019 62.946 63.100 -0.290 0.000 0.777 165 P CB 0.596 32.119 31.700 -0.294 0.000 0.883 166 I N 4.369 124.703 120.570 -0.393 0.000 2.468 166 I HA 0.307 4.477 4.170 0.000 0.000 0.285 166 I C 0.403 176.302 176.117 -0.363 0.000 1.039 166 I CA -0.605 60.316 61.300 -0.633 0.000 1.074 166 I CB 0.819 38.239 38.000 -0.966 0.000 1.228 166 I HN 0.344 nan 8.210 nan 0.000 0.436 167 F N 1.597 121.455 119.950 -0.153 0.000 2.666 167 F HA -0.372 4.155 4.527 0.000 0.000 0.458 167 F C 0.930 176.697 175.800 -0.054 0.000 0.561 167 F CA 1.136 59.097 58.000 -0.066 0.000 1.129 167 F CB -1.169 37.815 39.000 -0.027 0.000 1.751 167 F HN 0.547 nan 8.300 nan 0.000 0.275 168 T N -1.395 113.167 114.554 0.013 0.000 2.352 168 T HA 0.697 5.048 4.350 0.000 0.000 0.186 168 T C -0.003 174.524 174.700 -0.288 0.000 0.706 168 T CA 0.169 62.218 62.100 -0.085 0.000 1.355 168 T CB 1.052 69.864 68.868 -0.094 0.000 2.156 168 T HN 0.260 nan 8.240 nan 0.000 0.441 169 V N -1.049 118.568 119.914 -0.495 0.000 3.130 169 V HA 0.582 4.702 4.120 0.000 0.000 0.310 169 V C -2.680 173.062 176.094 -0.587 0.000 1.158 169 V CA -2.422 59.501 62.300 -0.629 0.000 1.029 169 V CB 1.606 32.823 31.823 -1.009 0.000 1.057 169 V HN 0.375 nan 8.190 nan 0.000 0.436 170 P HA 0.077 nan 4.420 nan 0.000 0.236 170 P C 1.193 178.025 177.300 -0.780 0.000 1.172 170 P CA 1.483 64.102 63.100 -0.802 0.000 0.759 170 P CB -0.054 30.919 31.700 -1.213 0.000 0.843 171 G N -2.103 106.373 108.800 -0.540 0.000 3.042 171 G HA2 0.042 4.002 3.960 0.000 0.000 0.212 171 G HA3 0.042 4.002 3.960 0.000 0.000 0.212 171 G C 0.078 175.048 174.900 0.116 0.000 1.166 171 G CA 0.032 45.107 45.100 -0.042 0.000 0.767 171 G HN 0.270 nan 8.290 nan 0.000 0.546 172 C N -0.275 119.026 119.300 0.003 0.000 2.562 172 C HA 0.682 5.142 4.460 0.000 0.000 0.332 172 C C 0.097 175.120 174.990 0.056 0.000 1.201 172 C CA -1.123 57.937 59.018 0.070 0.000 1.803 172 C CB 1.465 29.218 27.740 0.023 0.000 2.328 172 C HN 0.188 nan 8.230 nan 0.000 0.500 173 I N 2.384 122.995 120.570 0.070 0.000 2.392 173 I HA 0.507 4.677 4.170 0.000 0.000 0.295 173 I C 0.316 176.422 176.117 -0.019 0.000 0.985 173 I CA 0.607 61.909 61.300 0.003 0.000 1.221 173 I CB 1.506 39.499 38.000 -0.010 0.000 1.366 173 I HN 0.929 nan 8.210 nan 0.000 0.467 174 S N 4.671 120.328 115.700 -0.071 0.000 2.627 174 S HA 0.923 5.393 4.470 0.000 0.000 0.283 174 S C -0.958 173.579 174.600 -0.105 0.000 1.127 174 S CA -0.817 57.349 58.200 -0.056 0.000 0.863 174 S CB 2.264 65.452 63.200 -0.020 0.000 1.121 174 S HN 0.742 nan 8.310 nan 0.000 0.479 175 A N 1.215 124.000 122.820 -0.059 0.000 2.414 175 A HA 0.751 5.071 4.320 0.000 0.000 0.286 175 A C -0.640 176.931 177.584 -0.021 0.000 1.073 175 A CA -0.638 51.359 52.037 -0.066 0.000 0.727 175 A CB 1.222 20.186 19.000 -0.059 0.000 1.215 175 A HN 0.804 nan 8.150 nan 0.000 0.430 176 T N 4.697 119.262 114.554 0.018 0.000 2.881 176 T HA 0.593 4.943 4.350 0.000 0.000 0.291 176 T C -3.064 171.660 174.700 0.041 0.000 0.990 176 T CA -1.082 61.012 62.100 -0.010 0.000 0.976 176 T CB 1.768 70.575 68.868 -0.102 0.000 0.970 176 T HN 0.392 nan 8.240 nan 0.000 0.438 177 P HA 0.282 nan 4.420 nan 0.000 0.282 177 P C -0.383 176.931 177.300 0.022 0.000 1.262 177 P CA -0.684 62.436 63.100 0.034 0.000 0.773 177 P CB 0.320 32.028 31.700 0.012 0.000 0.879 178 I N 2.951 123.575 120.570 0.090 0.000 2.311 178 I HA 0.033 4.203 4.170 0.000 0.000 0.297 178 I C 1.290 177.445 176.117 0.063 0.000 1.131 178 I CA 0.493 61.849 61.300 0.094 0.000 1.289 178 I CB -0.672 37.424 38.000 0.160 0.000 1.446 178 I HN 0.309 nan 8.210 nan 0.000 0.524 179 S N 4.611 120.325 115.700 0.024 0.000 2.371 179 S HA -0.044 4.426 4.470 0.000 0.000 0.224 179 S C 0.567 175.175 174.600 0.014 0.000 1.029 179 S CA 0.671 58.875 58.200 0.008 0.000 0.978 179 S CB -0.042 63.144 63.200 -0.025 0.000 0.833 179 S HN 0.844 nan 8.310 nan 0.000 0.466 180 D N -0.413 120.008 120.400 0.036 0.000 2.946 180 D HA 0.254 4.894 4.640 0.000 0.000 0.337 180 D C -0.649 175.694 176.300 0.072 0.000 1.332 180 D CA -1.026 53.003 54.000 0.049 0.000 0.935 180 D CB -0.451 40.375 40.800 0.043 0.000 1.440 180 D HN 0.095 nan 8.370 nan 0.000 0.540 181 I N 0.487 121.099 120.570 0.071 0.000 3.076 181 I HA -0.110 4.060 4.170 0.000 0.000 0.321 181 I C 0.661 176.830 176.117 0.086 0.000 1.216 181 I CA 0.234 61.573 61.300 0.065 0.000 1.460 181 I CB -0.484 37.559 38.000 0.071 0.000 1.313 181 I HN 0.152 nan 8.210 nan 0.000 0.546 182 L N 4.939 126.200 121.223 0.064 0.000 2.475 182 L HA 0.173 4.513 4.340 0.000 0.000 0.253 182 L C 0.742 177.658 176.870 0.076 0.000 1.198 182 L CA -0.169 54.724 54.840 0.088 0.000 0.814 182 L CB 0.182 42.233 42.059 -0.014 0.000 1.134 182 L HN 0.592 nan 8.230 nan 0.000 0.478 183 D N 0.436 120.886 120.400 0.084 0.000 2.441 183 D HA 0.207 4.847 4.640 0.000 0.000 0.221 183 D C 0.700 177.026 176.300 0.044 0.000 1.156 183 D CA -0.064 53.978 54.000 0.069 0.000 0.896 183 D CB 1.619 42.453 40.800 0.055 0.000 1.028 183 D HN 0.580 nan 8.370 nan 0.000 0.509 184 A N 3.971 126.838 122.820 0.079 0.000 2.084 184 A HA -0.230 4.090 4.320 0.000 0.000 0.221 184 A C 1.784 179.510 177.584 0.236 0.000 1.161 184 A CA 1.440 53.538 52.037 0.102 0.000 0.653 184 A CB -0.290 18.710 19.000 0.001 0.000 0.802 184 A HN 0.730 nan 8.150 nan 0.000 0.457 185 Q N -0.940 118.941 119.800 0.135 0.000 2.319 185 Q HA 0.367 4.707 4.340 0.000 0.000 0.202 185 Q C -0.129 175.870 176.000 -0.002 0.000 0.896 185 Q CA -0.083 55.771 55.803 0.086 0.000 0.942 185 Q CB -0.106 28.418 28.738 -0.357 0.000 1.083 185 Q HN 0.546 nan 8.270 nan 0.000 0.510 186 L N 2.636 123.745 121.223 -0.190 0.000 2.307 186 L HA 0.347 4.687 4.340 0.000 0.000 0.284 186 L C -1.741 174.592 176.870 -0.894 0.000 1.023 186 L CA -2.315 52.242 54.840 -0.472 0.000 0.810 186 L CB 1.600 43.513 42.059 -0.242 0.000 1.231 186 L HN -0.150 nan 8.230 nan 0.000 0.423 187 P HA -0.084 nan 4.420 nan 0.000 0.226 187 P C 1.042 178.101 177.300 -0.401 0.000 1.153 187 P CA 0.865 63.281 63.100 -1.139 0.000 0.777 187 P CB 0.022 31.191 31.700 -0.885 0.000 0.794 188 T N -7.653 106.686 114.554 -0.358 0.000 3.169 188 T HA 0.048 4.398 4.350 0.000 0.000 0.250 188 T C 0.405 174.931 174.700 -0.291 0.000 1.111 188 T CA -0.254 61.664 62.100 -0.303 0.000 1.010 188 T CB -0.827 67.887 68.868 -0.257 0.000 0.984 188 T HN -0.006 nan 8.240 nan 0.000 0.537 189 W N 0.276 121.253 121.300 -0.538 0.000 1.281 189 W HA -0.145 4.515 4.660 0.000 0.000 0.233 189 W C 0.905 177.293 176.519 -0.219 0.000 0.961 189 W CA 1.085 58.136 57.345 -0.489 0.000 0.387 189 W CB -1.924 27.021 29.460 -0.858 0.000 1.962 189 W HN 0.982 nan 8.180 nan 0.000 1.278 190 G N -0.830 108.008 108.800 0.063 0.000 2.346 190 G HA2 0.459 4.419 3.960 0.000 0.000 0.294 190 G HA3 0.459 4.419 3.960 0.000 0.000 0.294 190 G C -0.712 174.385 174.900 0.328 0.000 1.294 190 G CA -0.226 45.024 45.100 0.250 0.000 0.962 190 G HN 0.652 nan 8.290 nan 0.000 0.508 191 Q N -1.201 118.793 119.800 0.322 0.000 2.495 191 Q HA 0.777 5.117 4.340 0.000 0.000 0.287 191 Q C -0.033 176.063 176.000 0.161 0.000 1.078 191 Q CA -0.474 55.476 55.803 0.245 0.000 0.793 191 Q CB 1.762 30.560 28.738 0.101 0.000 1.459 191 Q HN 1.031 nan 8.270 nan 0.000 0.422 192 S N 0.201 115.970 115.700 0.116 0.000 2.587 192 S HA 0.217 4.688 4.470 0.000 0.000 0.260 192 S C 0.309 174.910 174.600 0.002 0.000 1.353 192 S CA -0.589 57.636 58.200 0.042 0.000 0.995 192 S CB 0.107 63.350 63.200 0.071 0.000 0.912 192 S HN 0.478 nan 8.310 nan 0.000 0.568 193 L N 2.473 123.689 121.223 -0.012 0.000 2.483 193 L HA 0.228 4.569 4.340 0.000 0.000 0.276 193 L C 0.970 177.820 176.870 -0.032 0.000 1.213 193 L CA 0.055 54.886 54.840 -0.015 0.000 0.843 193 L CB 0.682 42.735 42.059 -0.010 0.000 1.107 193 L HN 0.915 nan 8.230 nan 0.000 0.487 194 T N -1.841 112.695 114.554 -0.030 0.000 2.858 194 T HA 0.190 4.540 4.350 0.000 0.000 0.285 194 T C 0.686 175.365 174.700 -0.035 0.000 1.052 194 T CA -0.124 61.949 62.100 -0.045 0.000 1.009 194 T CB 1.641 70.481 68.868 -0.046 0.000 1.241 194 T HN 0.445 nan 8.240 nan 0.000 0.542 195 S N -0.596 115.080 115.700 -0.041 0.000 2.362 195 S HA 0.296 4.766 4.470 0.000 0.000 0.221 195 S C 1.088 175.673 174.600 -0.024 0.000 1.032 195 S CA 0.954 59.134 58.200 -0.034 0.000 0.973 195 S CB -1.137 62.038 63.200 -0.041 0.000 0.849 195 S HN 1.089 nan 8.310 nan 0.000 0.465 196 G N -0.309 108.477 108.800 -0.024 0.000 2.705 196 G HA2 0.681 4.641 3.960 0.000 0.000 0.299 196 G HA3 0.681 4.641 3.960 0.000 0.000 0.299 196 G C -0.748 174.138 174.900 -0.023 0.000 1.315 196 G CA -0.290 44.797 45.100 -0.020 0.000 1.045 196 G HN 0.549 nan 8.290 nan 0.000 0.517 197 A N 0.085 122.891 122.820 -0.024 0.000 2.409 197 A HA 0.616 4.936 4.320 0.000 0.000 0.262 197 A C 0.835 178.388 177.584 -0.051 0.000 1.113 197 A CA 0.287 52.301 52.037 -0.037 0.000 0.790 197 A CB -0.223 18.757 19.000 -0.033 0.000 1.046 197 A HN 1.158 nan 8.150 nan 0.000 0.496 198 T N 0.041 114.549 114.554 -0.075 0.000 2.938 198 T HA 0.487 4.837 4.350 0.000 0.000 0.285 198 T C 0.902 175.533 174.700 -0.116 0.000 1.028 198 T CA -0.140 61.913 62.100 -0.079 0.000 1.005 198 T CB 0.730 69.559 68.868 -0.065 0.000 1.157 198 T HN 0.796 nan 8.240 nan 0.000 0.550 199 L N -1.108 120.058 121.223 -0.094 0.000 2.341 199 L HA 0.479 4.819 4.340 0.000 0.000 0.214 199 L C 0.368 177.166 176.870 -0.121 0.000 1.115 199 L CA 0.606 55.386 54.840 -0.101 0.000 0.820 199 L CB -0.918 41.099 42.059 -0.072 0.000 0.944 199 L HN 0.443 nan 8.230 nan 0.000 0.452 200 L N 0.299 121.459 121.223 -0.106 0.000 2.334 200 L HA 0.448 4.789 4.340 0.000 0.000 0.273 200 L C -0.241 176.556 176.870 -0.122 0.000 1.013 200 L CA -0.741 54.051 54.840 -0.079 0.000 0.816 200 L CB 1.317 43.382 42.059 0.010 0.000 1.278 200 L HN 0.055 nan 8.230 nan 0.000 0.431 201 H N 3.040 122.122 119.070 0.019 0.000 2.878 201 H HA 0.162 4.718 4.556 0.000 0.000 0.290 201 H C -0.374 174.960 175.328 0.009 0.000 1.065 201 H CA -0.154 55.900 56.048 0.009 0.000 1.477 201 H CB 0.492 30.258 29.762 0.007 0.000 1.484 201 H HN 0.480 nan 8.280 nan 0.000 0.504 202 N N 2.490 121.249 118.700 0.098 0.000 2.347 202 N HA 0.125 4.865 4.740 0.000 0.000 0.253 202 N C 0.126 175.636 175.510 -0.000 0.000 1.274 202 N CA -0.251 52.828 53.050 0.048 0.000 0.941 202 N CB 0.970 39.473 38.487 0.026 0.000 1.200 202 N HN 0.411 nan 8.380 nan 0.000 0.514 203 K N 0.570 120.921 120.400 -0.082 0.000 2.208 203 K HA 0.295 4.615 4.320 0.000 0.000 0.247 203 K C -0.403 176.102 176.600 -0.158 0.000 0.953 203 K CA -0.519 55.648 56.287 -0.200 0.000 0.837 203 K CB 1.205 33.381 32.500 -0.541 0.000 1.131 203 K HN 0.211 nan 8.250 nan 0.000 0.431 204 Q N 2.834 122.553 119.800 -0.136 0.000 2.465 204 Q HA 0.286 4.627 4.340 0.000 0.000 0.237 204 Q C -2.178 173.768 176.000 -0.091 0.000 1.051 204 Q CA -1.783 53.972 55.803 -0.080 0.000 0.874 204 Q CB 0.899 29.610 28.738 -0.045 0.000 1.207 204 Q HN 0.427 nan 8.270 nan 0.000 0.508 208 K N 1.158 121.607 120.400 0.082 0.000 2.511 208 K HA 0.298 4.618 4.320 0.000 0.000 0.209 208 K C 0.440 177.111 176.600 0.119 0.000 1.301 208 K CA 0.327 56.659 56.287 0.075 0.000 0.967 208 K CB 0.393 32.917 32.500 0.040 0.000 1.109 208 K HN 0.903 nan 8.250 nan 0.000 0.561 209 N N 0.907 119.714 118.700 0.179 0.000 2.385 209 N HA -0.218 4.522 4.740 0.000 0.000 0.290 209 N C 0.117 175.778 175.510 0.251 0.000 1.440 209 N CA 0.175 53.368 53.050 0.238 0.000 0.633 209 N CB -0.658 37.970 38.487 0.235 0.000 0.927 209 N HN 0.029 nan 8.380 nan 0.000 0.496 210 F N 3.318 123.348 119.950 0.133 0.000 2.118 210 F HA 0.190 4.717 4.527 0.000 0.000 0.293 210 F C 2.105 177.997 175.800 0.153 0.000 1.102 210 F CA 2.649 60.736 58.000 0.145 0.000 1.247 210 F CB -0.444 38.667 39.000 0.185 0.000 1.017 210 F HN 0.706 nan 8.300 nan 0.000 0.475 211 G N 1.006 109.892 108.800 0.144 0.000 2.159 211 G HA2 -0.259 3.701 3.960 0.000 0.000 0.256 211 G HA3 -0.259 3.701 3.960 0.000 0.000 0.256 211 G C -0.032 174.846 174.900 -0.035 0.000 0.977 211 G CA 0.426 45.585 45.100 0.098 0.000 0.652 211 G HN 0.491 nan 8.290 nan 0.000 0.531 212 L N -0.358 120.744 121.223 -0.202 0.000 2.341 212 L HA 0.521 4.861 4.340 0.000 0.000 0.267 212 L C 1.594 178.464 176.870 0.001 0.000 1.009 212 L CA -1.278 53.428 54.840 -0.223 0.000 0.819 212 L CB 1.207 42.993 42.059 -0.454 0.000 1.323 212 L HN -0.078 nan 8.230 nan 0.000 0.425 213 E N 1.758 121.850 120.200 -0.179 0.000 2.086 213 E HA -0.190 4.160 4.350 0.000 0.000 0.205 213 E C 0.095 176.739 176.600 0.073 0.000 1.027 213 E CA 1.580 57.877 56.400 -0.172 0.000 0.830 213 E CB 0.016 29.600 29.700 -0.193 0.000 0.751 213 E HN 0.530 nan 8.360 nan 0.000 0.456 214 R N -1.576 119.002 120.500 0.129 0.000 2.643 214 R HA 0.330 4.670 4.340 0.000 0.000 0.269 214 R C 0.931 177.325 176.300 0.156 0.000 1.037 214 R CA -0.486 55.683 56.100 0.116 0.000 0.894 214 R CB 0.308 30.623 30.300 0.025 0.000 1.238 214 R HN -0.172 nan 8.270 nan 0.000 0.459 215 I N 1.514 122.034 120.570 -0.083 0.000 2.143 215 I HA -0.422 3.748 4.170 0.000 0.000 0.245 215 I C 1.986 178.074 176.117 -0.049 0.000 1.068 215 I CA 2.305 63.407 61.300 -0.330 0.000 1.326 215 I CB -0.530 37.026 38.000 -0.741 0.000 1.028 215 I HN 0.769 nan 8.210 nan 0.000 0.412 216 N N 1.192 119.874 118.700 -0.031 0.000 2.588 216 N HA -0.222 4.518 4.740 0.000 0.000 0.190 216 N C 1.264 176.824 175.510 0.084 0.000 1.094 216 N CA 1.245 54.307 53.050 0.019 0.000 0.921 216 N CB -0.626 37.864 38.487 0.005 0.000 0.959 216 N HN 0.550 nan 8.380 nan 0.000 0.448 217 E N -0.677 119.608 120.200 0.141 0.000 2.216 217 E HA -0.007 4.343 4.350 0.000 0.000 0.192 217 E C -0.157 176.544 176.600 0.169 0.000 0.988 217 E CA 0.444 56.929 56.400 0.142 0.000 0.834 217 E CB 0.036 29.804 29.700 0.113 0.000 0.772 217 E HN 0.250 nan 8.360 nan 0.000 0.479 218 N N 0.175 119.044 118.700 0.282 0.000 2.839 218 N HA 0.031 4.772 4.740 0.000 0.000 0.230 218 N C 0.164 175.866 175.510 0.320 0.000 1.388 218 N CA -0.078 53.132 53.050 0.267 0.000 0.747 218 N CB 0.516 39.128 38.487 0.208 0.000 1.411 218 N HN -0.174 nan 8.380 nan 0.000 0.556 219 K N 0.222 120.731 120.400 0.183 0.000 2.052 219 K HA -0.177 4.143 4.320 0.000 0.000 0.215 219 K C 0.339 177.033 176.600 0.157 0.000 1.053 219 K CA 1.686 58.057 56.287 0.140 0.000 0.934 219 K CB 0.199 32.749 32.500 0.082 0.000 0.717 219 K HN 0.475 nan 8.250 nan 0.000 0.450 220 D N 0.840 121.313 120.400 0.120 0.000 2.117 220 D HA -0.147 4.493 4.640 0.000 0.000 0.197 220 D C 1.867 178.229 176.300 0.102 0.000 0.987 220 D CA 0.437 54.480 54.000 0.071 0.000 0.829 220 D CB -0.237 40.593 40.800 0.051 0.000 0.961 220 D HN 0.054 nan 8.370 nan 0.000 0.460 221 L N 0.242 121.582 121.223 0.196 0.000 2.046 221 L HA -0.215 4.125 4.340 0.000 0.000 0.208 221 L C 2.271 179.352 176.870 0.352 0.000 1.077 221 L CA 1.524 56.514 54.840 0.251 0.000 0.747 221 L CB -0.813 41.408 42.059 0.270 0.000 0.896 221 L HN 0.087 nan 8.230 nan 0.000 0.432 222 Y N 0.600 121.058 120.300 0.264 0.000 2.114 222 Y HA -0.263 4.287 4.550 0.000 0.000 0.284 222 Y C 2.560 178.420 175.900 -0.067 0.000 1.143 222 Y CA 1.815 59.876 58.100 -0.066 0.000 1.135 222 Y CB -0.498 37.728 38.460 -0.389 0.000 0.980 222 Y HN 0.097 nan 8.280 nan 0.000 0.499 223 L N -0.031 121.104 121.223 -0.147 0.000 2.079 223 L HA -0.202 4.138 4.340 0.000 0.000 0.210 223 L C 2.578 179.319 176.870 -0.216 0.000 1.081 223 L CA 1.582 56.194 54.840 -0.380 0.000 0.752 223 L CB -0.578 41.182 42.059 -0.498 0.000 0.896 223 L HN 0.240 nan 8.230 nan 0.000 0.433 224 E N -0.246 119.907 120.200 -0.078 0.000 2.106 224 E HA -0.180 4.170 4.350 0.000 0.000 0.192 224 E C 2.327 178.929 176.600 0.004 0.000 0.984 224 E CA 1.105 57.503 56.400 -0.004 0.000 0.806 224 E CB -0.153 29.557 29.700 0.016 0.000 0.750 224 E HN 0.518 nan 8.360 nan 0.000 0.458 225 C N 0.308 119.604 119.300 -0.006 0.000 2.413 225 C HA -0.114 4.346 4.460 0.000 0.000 0.276 225 C C 2.752 177.706 174.990 -0.061 0.000 1.236 225 C CA 0.437 59.450 59.018 -0.009 0.000 1.735 225 C CB -1.072 26.687 27.740 0.032 0.000 2.031 225 C HN 0.410 nan 8.230 nan 0.000 0.474 226 I N 0.772 121.259 120.570 -0.139 0.000 2.208 226 I HA -0.243 3.927 4.170 0.000 0.000 0.245 226 I C 2.564 178.672 176.117 -0.014 0.000 1.097 226 I CA 1.574 62.809 61.300 -0.109 0.000 1.363 226 I CB -0.452 37.461 38.000 -0.144 0.000 1.051 226 I HN 0.298 nan 8.210 nan 0.000 0.413 227 S N 0.437 116.186 115.700 0.080 0.000 2.359 227 S HA -0.292 4.178 4.470 0.000 0.000 0.223 227 S C 1.937 176.528 174.600 -0.015 0.000 1.039 227 S CA 2.029 60.257 58.200 0.046 0.000 1.042 227 S CB -0.430 62.830 63.200 0.100 0.000 0.915 227 S HN 0.620 nan 8.310 nan 0.000 0.439 228 Q N 0.194 119.986 119.800 -0.014 0.000 2.245 228 Q HA 0.143 4.484 4.340 0.000 0.000 0.201 228 Q C 2.104 178.082 176.000 -0.036 0.000 0.955 228 Q CA 0.588 56.375 55.803 -0.027 0.000 0.870 228 Q CB -0.363 28.361 28.738 -0.023 0.000 0.945 228 Q HN 0.381 nan 8.270 nan 0.000 0.461 229 L N 1.472 122.672 121.223 -0.038 0.000 2.093 229 L HA -0.021 4.319 4.340 0.000 0.000 0.208 229 L C 2.162 178.999 176.870 -0.054 0.000 1.085 229 L CA 2.051 56.863 54.840 -0.046 0.000 0.755 229 L CB -1.213 40.812 42.059 -0.057 0.000 0.904 229 L HN 0.432 nan 8.230 nan 0.000 0.435 230 G N -0.793 107.971 108.800 -0.060 0.000 2.440 230 G HA2 -0.333 3.628 3.960 0.000 0.000 0.218 230 G HA3 -0.333 3.628 3.960 0.000 0.000 0.218 230 G C 1.460 176.327 174.900 -0.055 0.000 1.154 230 G CA 0.716 45.776 45.100 -0.065 0.000 0.767 230 G HN 0.469 nan 8.290 nan 0.000 0.552 231 Q N -0.117 119.652 119.800 -0.052 0.000 2.046 231 Q HA -0.099 4.241 4.340 0.000 0.000 0.200 231 Q C 2.929 178.902 176.000 -0.046 0.000 0.975 231 Q CA 2.021 57.794 55.803 -0.050 0.000 0.836 231 Q CB -0.153 28.555 28.738 -0.050 0.000 0.896 231 Q HN 0.462 nan 8.270 nan 0.000 0.428 232 V N -2.150 117.737 119.914 -0.045 0.000 2.295 232 V HA -0.187 3.933 4.120 0.000 0.000 0.246 232 V C 2.250 178.326 176.094 -0.030 0.000 1.049 232 V CA 1.488 63.763 62.300 -0.041 0.000 1.024 232 V CB -1.220 30.577 31.823 -0.044 0.000 0.648 232 V HN 0.149 nan 8.190 nan 0.000 0.447 233 V N 2.018 121.913 119.914 -0.031 0.000 2.250 233 V HA -0.256 3.864 4.120 0.000 0.000 0.250 233 V C 2.910 178.999 176.094 -0.009 0.000 1.060 233 V CA 2.683 64.969 62.300 -0.023 0.000 1.030 233 V CB -1.746 30.057 31.823 -0.033 0.000 0.643 233 V HN 0.658 nan 8.190 nan 0.000 0.445 234 G N -1.106 107.684 108.800 -0.016 0.000 2.514 234 G HA2 -0.333 3.627 3.960 0.000 0.000 0.217 234 G HA3 -0.333 3.627 3.960 0.000 0.000 0.217 234 G C 1.445 176.355 174.900 0.017 0.000 1.198 234 G CA 1.148 46.245 45.100 -0.006 0.000 0.780 234 G HN 0.586 nan 8.290 nan 0.000 0.565 235 Q N -0.419 119.379 119.800 -0.004 0.000 2.135 235 Q HA -0.112 4.228 4.340 0.000 0.000 0.204 235 Q C 2.625 178.657 176.000 0.053 0.000 0.981 235 Q CA 1.424 57.234 55.803 0.011 0.000 0.856 235 Q CB -0.156 28.569 28.738 -0.022 0.000 0.902 235 Q HN 0.361 nan 8.270 nan 0.000 0.425 236 R N 0.955 121.470 120.500 0.026 0.000 2.070 236 R HA -0.131 4.209 4.340 0.000 0.000 0.233 236 R C 1.821 178.145 176.300 0.040 0.000 1.137 236 R CA 1.299 57.413 56.100 0.024 0.000 0.945 236 R CB -0.664 29.639 30.300 0.005 0.000 0.845 236 R HN 0.166 nan 8.270 nan 0.000 0.430 237 L N 0.593 121.843 121.223 0.045 0.000 2.261 237 L HA -0.164 4.176 4.340 0.000 0.000 0.216 237 L C 2.450 179.361 176.870 0.069 0.000 1.114 237 L CA 1.862 56.731 54.840 0.049 0.000 0.777 237 L CB -0.855 41.230 42.059 0.044 0.000 0.910 237 L HN 0.432 nan 8.230 nan 0.000 0.440 238 H N -0.826 118.240 119.070 -0.005 0.000 2.403 238 H HA 0.017 4.573 4.556 0.000 0.000 0.298 238 H C 1.912 177.236 175.328 -0.006 0.000 1.059 238 H CA 1.264 57.308 56.048 -0.005 0.000 1.363 238 H CB 0.426 30.182 29.762 -0.011 0.000 1.410 238 H HN 0.294 nan 8.280 nan 0.000 0.528 239 L N -0.073 121.166 121.223 0.026 0.000 2.529 239 L HA 0.091 4.431 4.340 0.000 0.000 0.223 239 L C 0.239 177.090 176.870 -0.032 0.000 1.113 239 L CA 0.120 54.948 54.840 -0.020 0.000 0.861 239 L CB 0.399 42.478 42.059 0.034 0.000 1.012 239 L HN 0.046 nan 8.230 nan 0.000 0.461 240 D N 0.697 121.087 120.400 -0.018 0.000 2.464 240 D HA 0.176 4.816 4.640 0.000 0.000 0.243 240 D C -1.717 174.580 176.300 -0.005 0.000 1.104 240 D CA -1.869 52.126 54.000 -0.009 0.000 0.883 240 D CB 1.788 42.591 40.800 0.005 0.000 1.050 240 D HN -0.125 nan 8.370 nan 0.000 0.524 241 P HA -0.176 nan 4.420 nan 0.000 0.215 241 P C 1.287 178.606 177.300 0.031 0.000 1.157 241 P CA 1.071 64.170 63.100 -0.001 0.000 0.868 241 P CB 0.647 32.342 31.700 -0.009 0.000 0.788 242 Q N -0.436 119.386 119.800 0.036 0.000 2.096 242 Q HA -0.094 4.246 4.340 0.000 0.000 0.204 242 Q C 2.309 178.364 176.000 0.091 0.000 0.982 242 Q CA 1.371 57.214 55.803 0.066 0.000 0.850 242 Q CB -0.569 28.197 28.738 0.046 0.000 0.901 242 Q HN 0.114 nan 8.270 nan 0.000 0.422 243 V N 0.644 120.595 119.914 0.062 0.000 2.379 243 V HA -0.237 3.883 4.120 0.000 0.000 0.245 243 V C 2.297 178.425 176.094 0.055 0.000 1.044 243 V CA 1.920 64.257 62.300 0.062 0.000 1.036 243 V CB -0.561 31.288 31.823 0.042 0.000 0.664 243 V HN 0.319 nan 8.190 nan 0.000 0.453 244 R N 0.558 121.084 120.500 0.044 0.000 2.081 244 R HA -0.222 4.118 4.340 0.000 0.000 0.235 244 R C 2.419 178.746 176.300 0.045 0.000 1.131 244 R CA 1.887 58.010 56.100 0.038 0.000 0.960 244 R CB -0.266 30.050 30.300 0.028 0.000 0.856 244 R HN 0.381 nan 8.270 nan 0.000 0.436 245 R N 0.931 121.471 120.500 0.066 0.000 2.096 245 R HA 0.032 4.372 4.340 0.000 0.000 0.235 245 R C 0.209 176.538 176.300 0.048 0.000 1.127 245 R CA 1.583 57.737 56.100 0.090 0.000 0.968 245 R CB -0.365 30.023 30.300 0.148 0.000 0.861 245 R HN 0.119 nan 8.270 nan 0.000 0.440 246 S N -0.592 115.149 115.700 0.069 0.000 2.608 246 S HA 0.449 4.919 4.470 0.000 0.000 0.261 246 S C 0.724 175.283 174.600 -0.069 0.000 1.314 246 S CA -0.548 57.630 58.200 -0.037 0.000 0.992 246 S CB 0.996 64.266 63.200 0.117 0.000 0.935 246 S HN 0.558 nan 8.310 nan 0.000 0.564 247 G N -0.850 107.885 108.800 -0.108 0.000 2.441 247 G HA2 0.326 4.286 3.960 0.000 0.000 0.258 247 G HA3 0.326 4.286 3.960 0.000 0.000 0.258 247 G C -0.473 174.433 174.900 0.011 0.000 1.487 247 G CA -0.005 45.063 45.100 -0.052 0.000 1.058 247 G HN 0.824 nan 8.290 nan 0.000 0.552 248 C N -0.840 118.478 119.300 0.031 0.000 3.101 248 C HA 0.391 4.851 4.460 0.000 0.000 0.401 248 C C -0.846 174.180 174.990 0.061 0.000 1.075 248 C CA -0.897 58.149 59.018 0.047 0.000 1.281 248 C CB -0.947 26.806 27.740 0.021 0.000 1.667 248 C HN 0.491 nan 8.230 nan 0.000 0.517 249 I N 5.624 126.264 120.570 0.116 0.000 2.339 249 I HA 0.500 4.670 4.170 0.000 0.000 0.290 249 I C -0.185 175.996 176.117 0.107 0.000 0.994 249 I CA -0.483 60.910 61.300 0.154 0.000 1.191 249 I CB 1.780 39.935 38.000 0.259 0.000 1.343 249 I HN 0.302 nan 8.210 nan 0.000 0.458 250 V N 4.839 124.782 119.914 0.048 0.000 2.293 250 V HA 0.205 4.325 4.120 0.000 0.000 0.275 250 V C -0.183 175.913 176.094 0.004 0.000 1.021 250 V CA -0.625 61.650 62.300 -0.040 0.000 0.815 250 V CB 1.177 32.968 31.823 -0.054 0.000 1.025 250 V HN 0.617 nan 8.190 nan 0.000 0.448 251 D N 3.798 124.195 120.400 -0.005 0.000 2.343 251 D HA 0.240 4.880 4.640 0.000 0.000 0.255 251 D C 0.199 176.500 176.300 0.001 0.000 1.187 251 D CA 0.276 54.317 54.000 0.069 0.000 0.875 251 D CB 1.310 42.219 40.800 0.183 0.000 1.136 251 D HN 0.558 nan 8.370 nan 0.000 0.469 252 T N 4.919 119.487 114.554 0.024 0.000 2.902 252 T HA 0.488 4.838 4.350 0.000 0.000 0.283 252 T C -2.188 172.525 174.700 0.022 0.000 1.009 252 T CA -1.477 60.635 62.100 0.020 0.000 1.051 252 T CB 1.691 70.568 68.868 0.014 0.000 0.999 252 T HN 0.327 nan 8.240 nan 0.000 0.474 253 P HA 0.127 nan 4.420 nan 0.000 0.272 253 P C 0.005 177.305 177.300 -0.001 0.000 1.240 253 P CA -0.458 62.635 63.100 -0.011 0.000 0.791 253 P CB 0.317 31.977 31.700 -0.066 0.000 0.978 254 S N 0.514 116.214 115.700 0.000 0.000 2.560 254 S HA 0.012 4.482 4.470 0.000 0.000 0.284 254 S C 1.544 176.149 174.600 0.009 0.000 1.327 254 S CA -0.389 57.818 58.200 0.013 0.000 1.055 254 S CB -0.507 62.703 63.200 0.017 0.000 0.868 254 S HN 0.469 nan 8.310 nan 0.000 0.506 255 I N 0.387 120.972 120.570 0.025 0.000 2.850 255 I HA -0.110 4.060 4.170 0.000 0.000 0.266 255 I C 1.924 178.054 176.117 0.022 0.000 1.257 255 I CA 1.202 62.520 61.300 0.031 0.000 1.465 255 I CB -0.893 37.138 38.000 0.051 0.000 1.091 255 I HN 0.708 nan 8.210 nan 0.000 0.467 256 S N -0.021 115.689 115.700 0.016 0.000 2.515 256 S HA -0.024 4.446 4.470 0.000 0.000 0.231 256 S C 1.794 176.391 174.600 -0.005 0.000 0.987 256 S CA 0.413 58.619 58.200 0.011 0.000 0.936 256 S CB -0.370 62.838 63.200 0.013 0.000 0.766 256 S HN 0.614 nan 8.310 nan 0.000 0.528 257 Q N 0.202 119.990 119.800 -0.021 0.000 2.356 257 Q HA 0.383 4.723 4.340 0.000 0.000 0.205 257 Q C 0.334 176.293 176.000 -0.069 0.000 0.901 257 Q CA 0.152 55.922 55.803 -0.054 0.000 0.938 257 Q CB 0.261 28.948 28.738 -0.085 0.000 1.081 257 Q HN 0.560 nan 8.270 nan 0.000 0.517 258 L N 0.104 121.309 121.223 -0.030 0.000 2.347 258 L HA 0.356 4.696 4.340 0.000 0.000 0.268 258 L C -0.292 176.587 176.870 0.015 0.000 1.019 258 L CA -1.035 53.800 54.840 -0.009 0.000 0.806 258 L CB 0.834 42.908 42.059 0.025 0.000 1.339 258 L HN -0.121 nan 8.230 nan 0.000 0.463 259 D N -0.177 120.244 120.400 0.035 0.000 2.339 259 D HA 0.076 4.716 4.640 0.000 0.000 0.245 259 D C -0.125 176.203 176.300 0.047 0.000 1.115 259 D CA 0.007 54.032 54.000 0.040 0.000 0.917 259 D CB 0.668 41.498 40.800 0.050 0.000 1.192 259 D HN 0.321 nan 8.370 nan 0.000 0.428 260 E N 1.234 121.457 120.200 0.038 0.000 2.148 260 E HA 0.057 4.407 4.350 0.000 0.000 0.308 260 E C -0.175 176.446 176.600 0.036 0.000 1.278 260 E CA 0.044 56.465 56.400 0.036 0.000 1.368 260 E CB -0.255 29.461 29.700 0.027 0.000 1.229 260 E HN 0.436 nan 8.360 nan 0.000 0.494 261 N N -0.118 118.612 118.700 0.049 0.000 1.874 261 N HA -0.064 4.676 4.740 0.000 0.000 0.244 261 N C 0.294 175.851 175.510 0.079 0.000 1.422 261 N CA -0.222 52.855 53.050 0.046 0.000 0.727 261 N CB -0.371 38.142 38.487 0.045 0.000 1.128 261 N HN 0.216 nan 8.380 nan 0.000 0.566 262 L N -0.317 120.971 121.223 0.108 0.000 4.040 262 L HA -0.258 4.082 4.340 0.000 0.000 0.410 262 L C 1.554 178.558 176.870 0.222 0.000 1.187 262 L CA 0.411 55.349 54.840 0.164 0.000 0.956 262 L CB -2.057 40.146 42.059 0.239 0.000 2.022 262 L HN 0.405 nan 8.230 nan 0.000 0.897 263 A N -0.545 122.421 122.820 0.243 0.000 2.032 263 A HA -0.207 4.113 4.320 0.000 0.000 0.221 263 A C 2.014 179.780 177.584 0.303 0.000 1.165 263 A CA 2.155 54.401 52.037 0.348 0.000 0.645 263 A CB -0.155 18.958 19.000 0.188 0.000 0.807 263 A HN 0.622 nan 8.150 nan 0.000 0.453 264 E N 0.029 120.354 120.200 0.208 0.000 2.072 264 E HA -0.092 4.258 4.350 0.000 0.000 0.191 264 E C 1.859 178.569 176.600 0.184 0.000 0.985 264 E CA 0.979 57.490 56.400 0.184 0.000 0.801 264 E CB -0.367 29.435 29.700 0.170 0.000 0.750 264 E HN 0.657 nan 8.360 nan 0.000 0.452 265 L N 0.307 121.614 121.223 0.141 0.000 2.093 265 L HA -0.176 4.164 4.340 0.000 0.000 0.208 265 L C 2.360 179.264 176.870 0.057 0.000 1.085 265 L CA 1.016 55.855 54.840 -0.002 0.000 0.755 265 L CB -0.523 41.407 42.059 -0.216 0.000 0.904 265 L HN 0.295 nan 8.230 nan 0.000 0.435 266 H N -1.087 118.198 119.070 0.358 0.000 2.265 266 H HA -0.260 4.297 4.556 0.000 0.000 0.295 266 H C 2.251 177.674 175.328 0.159 0.000 1.084 266 H CA 2.052 58.279 56.048 0.299 0.000 1.261 266 H CB -0.593 29.309 29.762 0.233 0.000 1.360 266 H HN 0.424 nan 8.280 nan 0.000 0.487 267 H N 0.959 120.150 119.070 0.201 0.000 2.290 267 H HA -0.108 4.448 4.556 0.000 0.000 0.298 267 H C 2.547 177.888 175.328 0.021 0.000 1.087 267 H CA 1.697 57.795 56.048 0.083 0.000 1.291 267 H CB -0.177 29.617 29.762 0.053 0.000 1.369 267 H HN 0.229 nan 8.280 nan 0.000 0.492 268 I N 0.468 121.105 120.570 0.112 0.000 2.151 268 I HA -0.334 3.836 4.170 0.000 0.000 0.243 268 I C 2.722 178.805 176.117 -0.057 0.000 1.080 268 I CA 1.375 62.674 61.300 -0.002 0.000 1.339 268 I CB -0.289 37.702 38.000 -0.015 0.000 1.039 268 I HN 0.234 nan 8.210 nan 0.000 0.409 269 I N 0.723 121.269 120.570 -0.040 0.000 2.142 269 I HA -0.308 3.862 4.170 0.000 0.000 0.240 269 I C 2.665 178.761 176.117 -0.035 0.000 1.078 269 I CA 1.991 63.266 61.300 -0.043 0.000 1.343 269 I CB -0.457 37.528 38.000 -0.025 0.000 1.046 269 I HN 0.346 nan 8.210 nan 0.000 0.405 270 E N 0.783 120.963 120.200 -0.032 0.000 2.152 270 E HA -0.189 4.161 4.350 0.000 0.000 0.192 270 E C 1.916 178.447 176.600 -0.116 0.000 0.983 270 E CA 0.874 57.241 56.400 -0.056 0.000 0.818 270 E CB -0.071 29.605 29.700 -0.041 0.000 0.758 270 E HN 0.234 nan 8.360 nan 0.000 0.467 271 K N 0.277 120.561 120.400 -0.194 0.000 2.305 271 K HA 0.136 4.456 4.320 0.000 0.000 0.199 271 K C 1.482 178.008 176.600 -0.123 0.000 1.047 271 K CA 0.539 56.701 56.287 -0.208 0.000 0.976 271 K CB 0.338 32.629 32.500 -0.350 0.000 0.765 271 K HN 0.289 nan 8.250 nan 0.000 0.474 272 L N 0.528 121.693 121.223 -0.097 0.000 2.857 272 L HA 0.146 4.486 4.340 0.000 0.000 0.249 272 L C -0.645 176.198 176.870 -0.046 0.000 1.172 272 L CA -0.266 54.533 54.840 -0.068 0.000 0.980 272 L CB -0.265 41.752 42.059 -0.070 0.000 1.299 272 L HN 0.076 nan 8.230 nan 0.000 0.535 273 N N 0.128 118.803 118.700 -0.043 0.000 2.707 273 N HA -0.161 4.579 4.740 0.000 0.000 0.253 273 N C -0.425 175.077 175.510 -0.014 0.000 0.998 273 N CA 0.384 53.421 53.050 -0.022 0.000 0.751 273 N CB -1.168 37.312 38.487 -0.012 0.000 0.920 273 N HN 0.005 nan 8.380 nan 0.000 0.539 274 V N 0.814 120.716 119.914 -0.022 0.000 2.572 274 V HA 0.057 4.177 4.120 0.000 0.000 0.291 274 V C 1.583 177.676 176.094 -0.002 0.000 1.039 274 V CA 0.351 62.640 62.300 -0.018 0.000 1.055 274 V CB 1.197 32.995 31.823 -0.042 0.000 0.969 274 V HN 0.605 nan 8.190 nan 0.000 0.482 275 N N 4.487 123.194 118.700 0.011 0.000 2.273 275 N HA 0.234 4.974 4.740 0.000 0.000 0.192 275 N C 0.399 175.937 175.510 0.047 0.000 1.132 275 N CA -0.187 52.878 53.050 0.025 0.000 0.887 275 N CB 1.379 39.880 38.487 0.023 0.000 1.048 275 N HN 0.637 nan 8.380 nan 0.000 0.490 279 V N 5.297 125.378 119.914 0.278 0.000 2.347 279 V HA 0.399 4.519 4.120 0.000 0.000 0.280 279 V C 0.136 176.350 176.094 0.200 0.000 1.021 279 V CA -0.370 62.093 62.300 0.270 0.000 0.847 279 V CB 1.638 33.735 31.823 0.457 0.000 0.990 279 V HN 0.505 nan 8.190 nan 0.000 0.444 280 L N 5.194 126.498 121.223 0.136 0.000 2.268 280 L HA 0.554 4.894 4.340 0.000 0.000 0.289 280 L C -0.281 176.635 176.870 0.076 0.000 1.064 280 L CA 0.192 55.083 54.840 0.084 0.000 0.824 280 L CB 0.857 42.953 42.059 0.062 0.000 1.202 280 L HN 0.801 nan 8.230 nan 0.000 0.433 281 C N 1.574 120.904 119.300 0.051 0.000 3.239 281 C HA 0.484 4.945 4.460 0.000 0.000 0.329 281 C C -0.127 174.846 174.990 -0.027 0.000 1.252 281 C CA -0.563 58.480 59.018 0.041 0.000 1.323 281 C CB 2.197 30.002 27.740 0.107 0.000 1.663 281 C HN 0.711 nan 8.230 nan 0.000 0.487 282 S N 2.748 118.430 115.700 -0.030 0.000 2.499 282 S HA 0.284 4.754 4.470 0.000 0.000 0.275 282 S C -0.408 174.117 174.600 -0.125 0.000 1.257 282 S CA -0.015 58.146 58.200 -0.066 0.000 1.050 282 S CB 1.089 64.267 63.200 -0.036 0.000 0.937 282 S HN 0.745 nan 8.310 nan 0.000 0.490 283 E N 2.890 122.970 120.200 -0.201 0.000 2.558 283 E HA 0.018 4.368 4.350 0.000 0.000 0.255 283 E C -0.330 176.167 176.600 -0.172 0.000 0.968 283 E CA 0.732 56.943 56.400 -0.316 0.000 0.939 283 E CB -0.344 29.163 29.700 -0.321 0.000 0.921 283 E HN 0.660 nan 8.360 nan 0.000 0.477 284 T N 3.840 118.309 114.554 -0.142 0.000 3.069 284 T HA -0.158 4.192 4.350 0.000 0.000 0.450 284 T C -1.107 173.588 174.700 -0.008 0.000 0.775 284 T CA 0.865 62.940 62.100 -0.042 0.000 2.370 284 T CB -1.089 67.757 68.868 -0.038 0.000 1.690 284 T HN 0.632 nan 8.240 nan 0.000 0.649 285 D N 1.728 122.151 120.400 0.038 0.000 2.591 285 D HA 0.437 5.077 4.640 0.000 0.000 0.222 285 D C -1.866 174.492 176.300 0.098 0.000 1.360 285 D CA -1.990 52.044 54.000 0.057 0.000 0.967 285 D CB 1.747 42.578 40.800 0.053 0.000 1.456 285 D HN -0.017 nan 8.370 nan 0.000 0.588 286 P HA -0.227 nan 4.420 nan 0.000 0.221 286 P C 1.732 179.076 177.300 0.073 0.000 1.153 286 P CA 0.617 63.752 63.100 0.059 0.000 0.858 286 P CB 0.191 31.913 31.700 0.037 0.000 0.783 287 L N -1.326 119.955 121.223 0.097 0.000 2.043 287 L HA -0.198 4.143 4.340 0.000 0.000 0.212 287 L C 2.151 179.120 176.870 0.166 0.000 1.075 287 L CA 2.206 57.117 54.840 0.118 0.000 0.752 287 L CB -1.296 40.838 42.059 0.125 0.000 0.891 287 L HN 0.226 nan 8.230 nan 0.000 0.432 288 W N 1.105 122.413 121.300 0.014 0.000 2.333 288 W HA -0.239 4.421 4.660 0.000 0.000 0.316 288 W C 2.138 178.667 176.519 0.017 0.000 1.215 288 W CA 1.342 58.695 57.345 0.013 0.000 1.278 288 W CB -0.095 29.335 29.460 -0.049 0.000 1.154 288 W HN 0.217 nan 8.180 nan 0.000 0.486 289 E N 0.650 120.785 120.200 -0.107 0.000 2.153 289 E HA -0.219 4.131 4.350 0.000 0.000 0.194 289 E C 1.893 178.384 176.600 -0.181 0.000 0.988 289 E CA 1.261 57.530 56.400 -0.218 0.000 0.811 289 E CB -0.501 29.164 29.700 -0.059 0.000 0.746 289 E HN 0.406 nan 8.360 nan 0.000 0.466 290 K N 0.675 121.021 120.400 -0.089 0.000 2.057 290 K HA -0.090 4.230 4.320 0.000 0.000 0.206 290 K C 2.097 178.644 176.600 -0.088 0.000 1.050 290 K CA 0.941 57.188 56.287 -0.067 0.000 0.935 290 K CB 0.116 32.613 32.500 -0.005 0.000 0.715 290 K HN -0.086 nan 8.250 nan 0.000 0.439 291 V N 1.613 121.492 119.914 -0.059 0.000 2.295 291 V HA -0.242 3.879 4.120 0.000 0.000 0.246 291 V C 2.191 178.229 176.094 -0.094 0.000 1.049 291 V CA 1.757 64.085 62.300 0.045 0.000 1.024 291 V CB -0.363 31.498 31.823 0.063 0.000 0.648 291 V HN 0.344 nan 8.190 nan 0.000 0.447 292 K N 0.015 120.206 120.400 -0.350 0.000 2.009 292 K HA -0.230 4.090 4.320 0.000 0.000 0.210 292 K C 2.246 178.729 176.600 -0.196 0.000 1.049 292 K CA 1.802 57.882 56.287 -0.346 0.000 0.929 292 K CB -0.230 31.971 32.500 -0.498 0.000 0.714 292 K HN 0.400 nan 8.250 nan 0.000 0.440 293 K N -0.314 119.976 120.400 -0.184 0.000 2.148 293 K HA -0.075 4.245 4.320 0.000 0.000 0.204 293 K C 2.012 178.520 176.600 -0.154 0.000 1.050 293 K CA 1.558 57.760 56.287 -0.141 0.000 0.942 293 K CB 0.073 32.501 32.500 -0.121 0.000 0.724 293 K HN 0.160 nan 8.250 nan 0.000 0.446 294 T N -0.266 114.153 114.554 -0.225 0.000 2.953 294 T HA 0.066 4.416 4.350 0.000 0.000 0.247 294 T C 1.393 175.829 174.700 -0.440 0.000 1.029 294 T CA 0.762 62.625 62.100 -0.395 0.000 1.144 294 T CB -0.065 68.404 68.868 -0.664 0.000 0.870 294 T HN 0.076 nan 8.240 nan 0.000 0.446 295 F N 1.040 120.963 119.950 -0.045 0.000 2.678 295 F HA 0.350 4.877 4.527 0.000 0.000 0.291 295 F C 2.509 178.281 175.800 -0.046 0.000 1.123 295 F CA -0.241 57.735 58.000 -0.039 0.000 1.395 295 F CB -0.530 38.419 39.000 -0.085 0.000 1.121 295 F HN 0.198 nan 8.300 nan 0.000 0.592 296 G N 2.065 110.898 108.800 0.055 0.000 2.529 296 G HA2 -0.258 3.702 3.960 0.000 0.000 0.219 296 G HA3 -0.258 3.702 3.960 0.000 0.000 0.219 296 G C -0.622 174.282 174.900 0.006 0.000 1.177 296 G CA 1.034 46.130 45.100 -0.006 0.000 0.773 296 G HN 0.192 nan 8.290 nan 0.000 0.573 297 P HA -0.153 nan 4.420 nan 0.000 0.218 297 P C 1.573 178.890 177.300 0.029 0.000 1.154 297 P CA 1.863 64.964 63.100 0.002 0.000 0.872 297 P CB 0.088 31.781 31.700 -0.012 0.000 0.790 298 E N -1.452 118.791 120.200 0.071 0.000 2.166 298 E HA 0.029 4.379 4.350 0.000 0.000 0.192 298 E C 1.782 178.425 176.600 0.073 0.000 0.967 298 E CA 0.757 57.212 56.400 0.091 0.000 0.840 298 E CB -0.626 29.174 29.700 0.167 0.000 0.795 298 E HN 0.126 nan 8.360 nan 0.000 0.470 299 L N -1.111 120.157 121.223 0.075 0.000 2.408 299 L HA 0.371 4.711 4.340 0.000 0.000 0.215 299 L C 0.615 177.496 176.870 0.019 0.000 1.081 299 L CA 0.198 55.066 54.840 0.047 0.000 0.840 299 L CB 0.277 42.365 42.059 0.048 0.000 1.002 299 L HN 0.230 nan 8.230 nan 0.000 0.468 300 G N 0.673 109.478 108.800 0.008 0.000 3.172 300 G HA2 -0.226 3.734 3.960 0.000 0.000 0.686 300 G HA3 -0.226 3.734 3.960 0.000 0.000 0.686 300 G C -0.079 174.794 174.900 -0.045 0.000 1.009 300 G CA -0.302 44.789 45.100 -0.015 0.000 0.787 300 G HN 0.111 nan 8.290 nan 0.000 0.559 301 N N 0.838 119.504 118.700 -0.056 0.000 2.334 301 N HA -0.109 4.632 4.740 0.000 0.000 0.187 301 N C 2.052 177.484 175.510 -0.130 0.000 1.016 301 N CA 1.505 54.502 53.050 -0.088 0.000 0.879 301 N CB -0.197 38.251 38.487 -0.065 0.000 0.965 301 N HN 0.741 nan 8.380 nan 0.000 0.438 302 N N -0.204 118.429 118.700 -0.112 0.000 2.459 302 N HA -0.004 4.736 4.740 0.000 0.000 0.181 302 N C 0.088 175.423 175.510 -0.292 0.000 1.046 302 N CA 0.414 53.375 53.050 -0.148 0.000 0.904 302 N CB 0.090 38.550 38.487 -0.045 0.000 0.964 302 N HN 0.232 nan 8.380 nan 0.000 0.444 303 N N 0.376 118.942 118.700 -0.222 0.000 2.238 303 N HA 0.208 4.948 4.740 0.000 0.000 0.222 303 N C -0.740 174.651 175.510 -0.197 0.000 1.133 303 N CA 0.225 53.196 53.050 -0.130 0.000 0.854 303 N CB 0.979 39.484 38.487 0.030 0.000 1.041 303 N HN 0.184 nan 8.380 nan 0.000 0.510 304 I N 0.547 120.856 120.570 -0.436 0.000 2.436 304 I HA 0.393 4.563 4.170 0.000 0.000 0.289 304 I C -1.015 174.940 176.117 -0.269 0.000 1.010 304 I CA -0.709 60.485 61.300 -0.177 0.000 1.098 304 I CB 1.167 39.130 38.000 -0.063 0.000 1.266 304 I HN -0.241 nan 8.210 nan 0.000 0.434 305 F N 5.802 125.944 119.950 0.319 0.000 2.540 305 F HA 0.513 5.040 4.527 0.000 0.000 0.317 305 F C -0.222 175.716 175.800 0.230 0.000 1.104 305 F CA -0.891 57.246 58.000 0.228 0.000 0.913 305 F CB 1.627 40.663 39.000 0.059 0.000 1.170 305 F HN 0.225 nan 8.300 nan 0.000 0.450 306 F N 1.668 121.665 119.950 0.077 0.000 2.422 306 F HA 0.865 5.392 4.527 0.000 0.000 0.333 306 F C -1.032 174.707 175.800 -0.100 0.000 1.095 306 F CA -1.405 56.443 58.000 -0.253 0.000 1.038 306 F CB 0.771 39.128 39.000 -1.072 0.000 1.156 306 F HN 0.246 nan 8.300 nan 0.000 0.483 307 I N 4.730 125.348 120.570 0.080 0.000 2.447 307 I HA 0.336 4.506 4.170 0.000 0.000 0.287 307 I C -2.236 173.826 176.117 -0.091 0.000 1.023 307 I CA -2.291 58.982 61.300 -0.045 0.000 1.083 307 I CB 2.270 40.251 38.000 -0.033 0.000 1.245 307 I HN 0.453 nan 8.210 nan 0.000 0.434 308 P HA 0.076 nan 4.420 nan 0.000 0.275 308 P C -0.812 176.369 177.300 -0.198 0.000 1.270 308 P CA -0.531 62.449 63.100 -0.199 0.000 0.791 308 P CB 0.534 32.087 31.700 -0.244 0.000 1.089 309 K N 0.665 120.990 120.400 -0.124 0.000 2.430 309 K HA 0.075 4.396 4.320 0.000 0.000 0.280 309 K C 0.232 176.783 176.600 -0.082 0.000 1.063 309 K CA 0.273 56.514 56.287 -0.076 0.000 1.071 309 K CB -0.514 31.961 32.500 -0.041 0.000 0.899 309 K HN 0.360 nan 8.250 nan 0.000 0.473 310 L N 3.325 124.514 121.223 -0.056 0.000 2.426 310 L HA 0.042 4.382 4.340 0.000 0.000 0.271 310 L C 0.539 177.408 176.870 -0.002 0.000 1.169 310 L CA -0.391 54.433 54.840 -0.028 0.000 0.836 310 L CB 0.205 42.258 42.059 -0.009 0.000 1.112 310 L HN 0.472 nan 8.230 nan 0.000 0.465 311 D N 1.454 121.863 120.400 0.015 0.000 2.362 311 D HA 0.294 4.934 4.640 0.000 0.000 0.242 311 D C 1.111 177.410 176.300 -0.002 0.000 1.132 311 D CA 1.014 55.026 54.000 0.020 0.000 0.907 311 D CB 1.284 42.111 40.800 0.045 0.000 1.195 311 D HN 0.775 nan 8.370 nan 0.000 0.429 312 G N 0.260 109.055 108.800 -0.009 0.000 2.304 312 G HA2 -0.300 3.660 3.960 0.000 0.000 0.252 312 G HA3 -0.300 3.660 3.960 0.000 0.000 0.252 312 G C 0.390 175.277 174.900 -0.022 0.000 1.014 312 G CA 0.266 45.346 45.100 -0.033 0.000 0.619 312 G HN 0.536 nan 8.290 nan 0.000 0.525 313 V N 2.937 122.854 119.914 0.004 0.000 2.434 313 V HA 0.439 4.559 4.120 0.000 0.000 0.281 313 V C 1.021 177.119 176.094 0.008 0.000 1.005 313 V CA 0.699 63.014 62.300 0.025 0.000 1.089 313 V CB 0.573 32.418 31.823 0.036 0.000 0.978 313 V HN 1.020 nan 8.190 nan 0.000 0.474 314 S N 4.421 120.122 115.700 0.002 0.000 2.664 314 S HA 0.870 5.340 4.470 0.000 0.000 0.304 314 S C 0.016 174.615 174.600 -0.001 0.000 1.099 314 S CA -0.398 57.792 58.200 -0.017 0.000 1.003 314 S CB 1.892 65.058 63.200 -0.057 0.000 1.092 314 S HN 1.145 nan 8.310 nan 0.000 0.525 315 A N 0.766 123.583 122.820 -0.006 0.000 2.445 315 A HA 0.586 4.907 4.320 0.000 0.000 0.242 315 A C -0.353 177.241 177.584 0.016 0.000 1.075 315 A CA -0.465 51.578 52.037 0.011 0.000 0.777 315 A CB -0.118 18.886 19.000 0.006 0.000 1.013 315 A HN 0.998 nan 8.150 nan 0.000 0.493 316 V N 3.668 123.618 119.914 0.060 0.000 2.623 316 V HA 0.323 4.443 4.120 0.000 0.000 0.304 316 V C -0.701 175.467 176.094 0.122 0.000 1.054 316 V CA -0.718 61.656 62.300 0.123 0.000 0.882 316 V CB 1.799 33.758 31.823 0.226 0.000 1.002 316 V HN 1.118 nan 8.190 nan 0.000 0.424 317 D N 2.403 122.882 120.400 0.132 0.000 2.506 317 D HA 0.208 4.848 4.640 0.000 0.000 0.272 317 D C 0.514 176.886 176.300 0.121 0.000 1.214 317 D CA -0.502 53.560 54.000 0.104 0.000 1.067 317 D CB 0.976 41.823 40.800 0.079 0.000 1.117 317 D HN 0.295 nan 8.370 nan 0.000 0.578 318 D N -0.735 119.714 120.400 0.081 0.000 2.144 318 D HA -0.090 4.550 4.640 0.000 0.000 0.200 318 D C 2.120 178.464 176.300 0.074 0.000 0.978 318 D CA 0.677 54.716 54.000 0.066 0.000 0.833 318 D CB -0.067 40.757 40.800 0.040 0.000 0.961 318 D HN 0.214 nan 8.370 nan 0.000 0.470 319 V N 0.732 120.699 119.914 0.088 0.000 2.252 319 V HA -0.299 3.821 4.120 0.000 0.000 0.249 319 V C 2.281 178.455 176.094 0.133 0.000 1.056 319 V CA 1.745 64.102 62.300 0.095 0.000 1.022 319 V CB -0.784 31.095 31.823 0.093 0.000 0.641 319 V HN 0.229 nan 8.190 nan 0.000 0.445 320 Y N 1.111 121.441 120.300 0.049 0.000 2.242 320 Y HA -0.179 4.371 4.550 0.000 0.000 0.291 320 Y C 2.474 178.415 175.900 0.069 0.000 1.137 320 Y CA 2.018 60.157 58.100 0.064 0.000 1.181 320 Y CB -0.251 38.249 38.460 0.066 0.000 0.989 320 Y HN 0.141 nan 8.280 nan 0.000 0.527 321 K N 0.334 120.698 120.400 -0.059 0.000 2.057 321 K HA -0.111 4.209 4.320 0.000 0.000 0.207 321 K C 2.230 178.762 176.600 -0.115 0.000 1.049 321 K CA 1.553 57.757 56.287 -0.138 0.000 0.931 321 K CB -0.120 32.377 32.500 -0.005 0.000 0.714 321 K HN 0.258 nan 8.250 nan 0.000 0.440 322 R N -0.637 119.844 120.500 -0.031 0.000 2.092 322 R HA -0.058 4.282 4.340 0.000 0.000 0.231 322 R C 2.490 178.783 176.300 -0.012 0.000 1.119 322 R CA 1.351 57.455 56.100 0.007 0.000 0.970 322 R CB -0.409 29.914 30.300 0.039 0.000 0.864 322 R HN 0.161 nan 8.270 nan 0.000 0.440 323 S N 0.969 116.650 115.700 -0.031 0.000 2.382 323 S HA -0.108 4.362 4.470 0.000 0.000 0.228 323 S C 1.862 176.420 174.600 -0.071 0.000 1.027 323 S CA 0.871 59.063 58.200 -0.013 0.000 0.991 323 S CB -0.035 63.188 63.200 0.039 0.000 0.823 323 S HN 0.199 nan 8.310 nan 0.000 0.469 324 L N 1.236 122.336 121.223 -0.205 0.000 2.156 324 L HA 0.034 4.374 4.340 0.000 0.000 0.208 324 L C 2.538 179.309 176.870 -0.165 0.000 1.095 324 L CA 1.522 56.226 54.840 -0.228 0.000 0.770 324 L CB -0.419 41.410 42.059 -0.383 0.000 0.914 324 L HN 0.355 nan 8.230 nan 0.000 0.439 325 Q N -1.111 118.609 119.800 -0.133 0.000 2.079 325 Q HA -0.212 4.128 4.340 0.000 0.000 0.200 325 Q C 2.316 178.264 176.000 -0.087 0.000 0.974 325 Q CA 1.356 57.082 55.803 -0.129 0.000 0.840 325 Q CB -0.238 28.460 28.738 -0.068 0.000 0.898 325 Q HN 0.372 nan 8.270 nan 0.000 0.430 326 R N 0.186 120.684 120.500 -0.003 0.000 2.091 326 R HA -0.139 4.201 4.340 0.000 0.000 0.238 326 R C 1.957 178.265 176.300 0.014 0.000 1.136 326 R CA 1.770 57.919 56.100 0.082 0.000 0.959 326 R CB -0.192 30.201 30.300 0.155 0.000 0.856 326 R HN 0.251 nan 8.270 nan 0.000 0.437 327 T N 0.377 114.920 114.554 -0.017 0.000 2.652 327 T HA -0.176 4.175 4.350 0.000 0.000 0.267 327 T C 1.897 176.546 174.700 -0.085 0.000 1.039 327 T CA 1.941 64.019 62.100 -0.036 0.000 1.153 327 T CB -0.353 68.483 68.868 -0.055 0.000 0.863 327 T HN 0.508 nan 8.240 nan 0.000 0.428 328 S N 1.398 117.018 115.700 -0.133 0.000 2.399 328 S HA -0.041 4.429 4.470 0.000 0.000 0.231 328 S C 2.087 176.598 174.600 -0.147 0.000 1.022 328 S CA 0.851 58.957 58.200 -0.157 0.000 0.983 328 S CB -0.803 62.267 63.200 -0.216 0.000 0.803 328 S HN 0.504 nan 8.310 nan 0.000 0.480 329 I N 1.328 121.782 120.570 -0.193 0.000 2.286 329 I HA -0.076 4.094 4.170 0.000 0.000 0.245 329 I C 3.090 179.140 176.117 -0.111 0.000 1.104 329 I CA 1.208 62.384 61.300 -0.206 0.000 1.397 329 I CB -0.311 37.491 38.000 -0.331 0.000 1.072 329 I HN 0.271 nan 8.210 nan 0.000 0.417 330 R N 1.104 121.468 120.500 -0.226 0.000 2.081 330 R HA -0.194 4.146 4.340 0.000 0.000 0.235 330 R C 2.104 178.522 176.300 0.196 0.000 1.131 330 R CA 1.608 57.722 56.100 0.024 0.000 0.960 330 R CB -0.092 30.242 30.300 0.057 0.000 0.856 330 R HN 0.378 nan 8.270 nan 0.000 0.436 331 E N -0.825 119.421 120.200 0.078 0.000 2.153 331 E HA -0.242 4.108 4.350 0.000 0.000 0.194 331 E C 1.601 178.229 176.600 0.046 0.000 0.988 331 E CA 1.205 57.643 56.400 0.063 0.000 0.811 331 E CB -0.148 29.552 29.700 0.001 0.000 0.746 331 E HN 0.380 nan 8.360 nan 0.000 0.466 332 Y N -0.287 119.940 120.300 -0.121 0.000 2.181 332 Y HA -0.237 4.314 4.550 0.000 0.000 0.288 332 Y C 1.487 177.168 175.900 -0.364 0.000 1.146 332 Y CA 1.613 59.540 58.100 -0.289 0.000 1.164 332 Y CB -0.082 38.090 38.460 -0.480 0.000 0.982 332 Y HN -0.021 nan 8.280 nan 0.000 0.515 333 F N -2.960 116.940 119.950 -0.083 0.000 2.317 333 F HA 0.025 4.552 4.527 0.000 0.000 0.290 333 F C 1.294 176.855 175.800 -0.399 0.000 1.075 333 F CA 0.848 58.670 58.000 -0.295 0.000 1.380 333 F CB -0.466 38.364 39.000 -0.283 0.000 1.093 333 F HN -0.089 nan 8.300 nan 0.000 0.524 334 Y N -0.451 119.935 120.300 0.144 0.000 2.444 334 Y HA 0.470 5.020 4.550 0.000 0.000 0.252 334 Y C 1.382 177.301 175.900 0.031 0.000 1.091 334 Y CA 0.123 58.275 58.100 0.087 0.000 1.276 334 Y CB 0.163 38.684 38.460 0.103 0.000 1.170 334 Y HN 0.062 nan 8.280 nan 0.000 0.517 335 G N 0.668 109.547 108.800 0.132 0.000 2.660 335 G HA2 -0.201 3.759 3.960 0.000 0.000 0.215 335 G HA3 -0.201 3.759 3.960 0.000 0.000 0.215 335 G C 0.052 174.990 174.900 0.063 0.000 1.345 335 G CA -0.404 44.732 45.100 0.061 0.000 0.877 335 G HN 0.517 nan 8.290 nan 0.000 0.549 336 S N -1.247 114.471 115.700 0.030 0.000 2.646 336 S HA 0.636 5.107 4.470 0.000 0.000 0.273 336 S C 1.801 176.414 174.600 0.021 0.000 1.168 336 S CA 0.134 58.342 58.200 0.013 0.000 1.013 336 S CB 1.004 64.197 63.200 -0.011 0.000 1.098 336 S HN 1.092 nan 8.310 nan 0.000 0.544 337 L N 0.814 122.042 121.223 0.008 0.000 2.141 337 L HA -0.024 4.317 4.340 0.000 0.000 0.209 337 L C 1.309 178.183 176.870 0.006 0.000 1.094 337 L CA 1.540 56.387 54.840 0.012 0.000 0.763 337 L CB -0.446 41.619 42.059 0.010 0.000 0.908 337 L HN 0.822 nan 8.230 nan 0.000 0.437 338 D N -2.626 117.769 120.400 -0.007 0.000 2.501 338 D HA 0.030 4.670 4.640 0.000 0.000 0.226 338 D C -0.052 176.242 176.300 -0.010 0.000 1.198 338 D CA 0.061 54.053 54.000 -0.014 0.000 0.830 338 D CB 0.288 41.067 40.800 -0.036 0.000 1.014 338 D HN -0.009 nan 8.370 nan 0.000 0.496 339 T N 0.464 115.020 114.554 0.002 0.000 3.428 339 T HA 0.496 4.846 4.350 0.000 0.000 0.301 339 T C -0.137 174.577 174.700 0.024 0.000 1.323 339 T CA -0.652 61.451 62.100 0.004 0.000 1.647 339 T CB 0.732 69.599 68.868 -0.002 0.000 0.871 339 T HN 0.287 nan 8.240 nan 0.000 0.627 340 A N 3.541 126.380 122.820 0.030 0.000 2.476 340 A HA 0.573 4.893 4.320 0.000 0.000 0.275 340 A C 0.146 177.761 177.584 0.052 0.000 1.133 340 A CA 0.023 52.094 52.037 0.057 0.000 0.797 340 A CB -0.208 18.824 19.000 0.053 0.000 1.081 340 A HN 0.783 nan 8.150 nan 0.000 0.510 341 L N 2.325 123.592 121.223 0.072 0.000 2.325 341 L HA 0.457 4.797 4.340 0.000 0.000 0.278 341 L C 0.132 177.031 176.870 0.047 0.000 1.023 341 L CA -0.443 54.415 54.840 0.029 0.000 0.811 341 L CB 2.140 44.185 42.059 -0.023 0.000 1.249 341 L HN 0.594 nan 8.230 nan 0.000 0.431 342 S N 2.850 118.557 115.700 0.012 0.000 2.577 342 S HA 0.398 4.868 4.470 0.000 0.000 0.294 342 S C -2.188 172.407 174.600 -0.009 0.000 1.161 342 S CA -1.020 57.197 58.200 0.028 0.000 1.143 342 S CB 0.735 63.969 63.200 0.056 0.000 0.991 342 S HN 0.430 nan 8.310 nan 0.000 0.475 343 P HA 0.304 nan 4.420 nan 0.000 0.279 343 P C -1.268 176.100 177.300 0.114 0.000 1.282 343 P CA -0.493 62.592 63.100 -0.024 0.000 0.788 343 P CB 0.575 32.194 31.700 -0.135 0.000 1.139 344 Y N -0.440 119.852 120.300 -0.013 0.000 2.338 344 Y HA 0.550 5.100 4.550 0.000 0.000 0.333 344 Y C -0.712 175.196 175.900 0.013 0.000 0.968 344 Y CA -1.014 57.088 58.100 0.004 0.000 1.123 344 Y CB 1.340 39.804 38.460 0.007 0.000 1.165 344 Y HN 0.513 nan 8.280 nan 0.000 0.452 345 A N 7.320 129.935 122.820 -0.342 0.000 2.290 345 A HA 0.773 5.094 4.320 0.000 0.000 0.310 345 A C -1.038 176.292 177.584 -0.423 0.000 1.202 345 A CA -0.426 51.446 52.037 -0.275 0.000 0.837 345 A CB 0.017 18.919 19.000 -0.164 0.000 1.139 345 A HN 0.722 nan 8.150 nan 0.000 0.509 346 I N 1.545 121.979 120.570 -0.228 0.000 2.647 346 I HA 0.503 4.674 4.170 0.000 0.000 0.295 346 I C 0.622 176.691 176.117 -0.080 0.000 1.078 346 I CA -0.706 60.491 61.300 -0.171 0.000 1.048 346 I CB 2.552 40.507 38.000 -0.075 0.000 1.239 346 I HN 0.687 nan 8.210 nan 0.000 0.421 347 G N 4.185 112.949 108.800 -0.060 0.000 2.329 347 G HA2 0.555 4.515 3.960 0.000 0.000 0.309 347 G HA3 0.555 4.515 3.960 0.000 0.000 0.309 347 G C -0.974 173.925 174.900 -0.002 0.000 1.110 347 G CA -0.272 44.813 45.100 -0.025 0.000 0.923 347 G HN 0.363 nan 8.290 nan 0.000 0.430 348 V N 2.104 122.028 119.914 0.017 0.000 3.155 348 V HA 0.622 4.743 4.120 0.000 0.000 0.313 348 V C -1.054 175.076 176.094 0.060 0.000 1.162 348 V CA -0.890 61.431 62.300 0.034 0.000 1.048 348 V CB 2.591 34.436 31.823 0.036 0.000 1.092 348 V HN 0.679 nan 8.190 nan 0.000 0.447 349 D N 0.431 120.872 120.400 0.069 0.000 2.272 349 D HA 0.342 4.982 4.640 0.000 0.000 0.247 349 D C 0.192 176.604 176.300 0.187 0.000 0.990 349 D CA -0.187 53.874 54.000 0.102 0.000 0.931 349 D CB 1.048 41.876 40.800 0.047 0.000 1.195 349 D HN 0.468 nan 8.370 nan 0.000 0.477 350 Y N 0.989 121.276 120.300 -0.021 0.000 2.193 350 Y HA -0.165 4.385 4.550 0.000 0.000 0.285 350 Y C 1.992 177.874 175.900 -0.029 0.000 1.166 350 Y CA 1.167 59.251 58.100 -0.027 0.000 1.181 350 Y CB -0.223 38.220 38.460 -0.029 0.000 0.976 350 Y HN 0.456 nan 8.280 nan 0.000 0.520 351 E N -0.732 119.554 120.200 0.143 0.000 2.437 351 E HA -0.013 4.338 4.350 0.000 0.000 0.189 351 E C -0.140 176.483 176.600 0.038 0.000 1.054 351 E CA 0.438 56.877 56.400 0.065 0.000 0.874 351 E CB -0.143 29.585 29.700 0.047 0.000 1.011 351 E HN 0.392 nan 8.360 nan 0.000 0.474 352 D N 0.524 120.950 120.400 0.044 0.000 2.398 352 D HA 0.213 4.853 4.640 0.000 0.000 0.210 352 D C -0.354 175.958 176.300 0.020 0.000 1.094 352 D CA -0.035 53.983 54.000 0.030 0.000 0.839 352 D CB 0.542 41.363 40.800 0.035 0.000 0.963 352 D HN 0.101 nan 8.370 nan 0.000 0.506 353 L N 0.035 121.262 121.223 0.007 0.000 2.408 353 L HA 0.391 4.731 4.340 0.000 0.000 0.268 353 L C -0.291 176.552 176.870 -0.044 0.000 0.986 353 L CA -0.292 54.540 54.840 -0.013 0.000 0.820 353 L CB 2.458 44.502 42.059 -0.027 0.000 1.303 353 L HN -0.339 nan 8.230 nan 0.000 0.411 354 T N 3.994 118.524 114.554 -0.040 0.000 2.912 354 T HA 0.624 4.974 4.350 0.000 0.000 0.326 354 T C -0.199 174.426 174.700 -0.124 0.000 1.080 354 T CA -0.166 61.867 62.100 -0.111 0.000 1.000 354 T CB 0.089 68.922 68.868 -0.058 0.000 1.008 354 T HN 0.230 nan 8.240 nan 0.000 0.473 355 I N 2.610 123.055 120.570 -0.208 0.000 2.354 355 I HA 0.505 4.675 4.170 0.000 0.000 0.292 355 I C -0.706 175.280 176.117 -0.219 0.000 0.989 355 I CA -0.861 60.370 61.300 -0.113 0.000 1.188 355 I CB 1.266 39.223 38.000 -0.072 0.000 1.342 355 I HN 0.503 nan 8.210 nan 0.000 0.457 356 W N 5.593 126.895 121.300 0.002 0.000 2.570 356 W HA 0.566 5.227 4.660 0.000 0.000 0.337 356 W C -0.294 176.238 176.519 0.021 0.000 1.067 356 W CA -0.710 56.643 57.345 0.013 0.000 1.229 356 W CB 1.200 30.654 29.460 -0.009 0.000 1.355 356 W HN 0.314 nan 8.180 nan 0.000 0.555 357 K N 2.090 122.654 120.400 0.273 0.000 2.270 357 K HA 0.706 5.026 4.320 0.000 0.000 0.255 357 K C -2.837 173.881 176.600 0.196 0.000 0.936 357 K CA -1.958 54.443 56.287 0.190 0.000 0.809 357 K CB 2.032 34.618 32.500 0.144 0.000 1.131 357 K HN 0.006 nan 8.250 nan 0.000 0.427 358 P HA -0.000 nan 4.420 nan 0.000 0.274 358 P C -0.443 176.936 177.300 0.132 0.000 1.260 358 P CA -0.591 62.542 63.100 0.055 0.000 0.793 358 P CB 0.710 32.386 31.700 -0.039 0.000 1.048 359 S N 0.382 116.144 115.700 0.103 0.000 2.576 359 S HA 0.225 4.695 4.470 0.000 0.000 0.276 359 S C -0.038 174.641 174.600 0.131 0.000 1.339 359 S CA 0.095 58.415 58.200 0.199 0.000 1.039 359 S CB -0.770 62.519 63.200 0.148 0.000 0.902 359 S HN 0.316 nan 8.310 nan 0.000 0.516 360 N N 1.257 120.046 118.700 0.150 0.000 2.265 360 N HA 0.385 5.125 4.740 0.000 0.000 0.300 360 N C 0.640 176.221 175.510 0.118 0.000 1.148 360 N CA -0.682 52.441 53.050 0.123 0.000 0.772 360 N CB 1.568 40.143 38.487 0.148 0.000 1.434 360 N HN 0.254 nan 8.380 nan 0.000 0.481 361 V N 0.458 120.448 119.914 0.126 0.000 2.453 361 V HA -0.124 3.997 4.120 0.000 0.000 0.247 361 V C 1.690 177.874 176.094 0.149 0.000 1.048 361 V CA 1.305 63.676 62.300 0.119 0.000 1.049 361 V CB -0.618 31.271 31.823 0.111 0.000 0.672 361 V HN 0.631 nan 8.190 nan 0.000 0.457 362 F N 1.543 121.498 119.950 0.008 0.000 2.186 362 F HA -0.134 4.393 4.527 0.000 0.000 0.299 362 F C 1.931 177.726 175.800 -0.009 0.000 1.090 362 F CA 1.882 59.880 58.000 -0.003 0.000 1.307 362 F CB -0.175 38.819 39.000 -0.010 0.000 1.019 362 F HN 0.257 nan 8.300 nan 0.000 0.489 363 D N -0.875 119.502 120.400 -0.038 0.000 2.269 363 D HA -0.003 4.637 4.640 0.000 0.000 0.220 363 D C 0.903 177.132 176.300 -0.117 0.000 0.962 363 D CA 0.989 54.899 54.000 -0.150 0.000 0.884 363 D CB -0.287 40.478 40.800 -0.058 0.000 1.023 363 D HN 0.263 nan 8.370 nan 0.000 0.484 364 N N 0.641 119.326 118.700 -0.026 0.000 2.351 364 N HA 0.108 4.848 4.740 0.000 0.000 0.254 364 N C 0.090 175.611 175.510 0.019 0.000 1.241 364 N CA 0.053 53.099 53.050 -0.007 0.000 0.883 364 N CB 2.078 40.604 38.487 0.064 0.000 1.202 364 N HN -0.040 nan 8.380 nan 0.000 0.512 365 E N -0.309 119.897 120.200 0.009 0.000 4.179 365 E HA -0.280 4.070 4.350 0.000 0.000 0.195 365 E C 1.194 177.823 176.600 0.047 0.000 1.268 365 E CA 2.471 58.886 56.400 0.024 0.000 2.263 365 E CB -1.123 28.584 29.700 0.012 0.000 1.863 365 E HN 0.123 nan 8.360 nan 0.000 0.334 366 V N -1.299 118.646 119.914 0.052 0.000 2.326 366 V HA 0.317 4.437 4.120 0.000 0.000 0.238 366 V C 1.153 177.293 176.094 0.077 0.000 1.038 366 V CA 1.090 63.426 62.300 0.059 0.000 1.032 366 V CB -0.350 31.504 31.823 0.051 0.000 0.675 366 V HN 0.839 nan 8.190 nan 0.000 0.467 367 G N 0.704 109.557 108.800 0.089 0.000 3.307 367 G HA2 -0.116 3.844 3.960 0.000 0.000 0.686 367 G HA3 -0.116 3.844 3.960 0.000 0.000 0.686 367 G C -0.682 174.270 174.900 0.087 0.000 0.983 367 G CA -0.328 44.834 45.100 0.104 0.000 0.804 367 G HN 0.431 nan 8.290 nan 0.000 0.531 368 R N -0.051 120.494 120.500 0.076 0.000 3.018 368 R HA 0.726 5.066 4.340 0.000 0.000 0.243 368 R C 0.316 176.627 176.300 0.019 0.000 1.315 368 R CA -0.789 55.339 56.100 0.046 0.000 1.039 368 R CB 1.270 31.590 30.300 0.034 0.000 1.315 368 R HN 0.508 nan 8.270 nan 0.000 0.492 369 V N 2.672 122.586 119.914 -0.001 0.000 2.242 369 V HA 0.149 4.269 4.120 0.000 0.000 0.242 369 V C -0.516 175.526 176.094 -0.086 0.000 1.240 369 V CA 0.486 62.769 62.300 -0.027 0.000 1.211 369 V CB -1.396 30.415 31.823 -0.020 0.000 1.338 369 V HN 0.722 nan 8.190 nan 0.000 0.499 370 E N 4.027 124.147 120.200 -0.132 0.000 2.388 370 E HA 0.685 5.035 4.350 0.000 0.000 0.282 370 E C -1.755 174.642 176.600 -0.339 0.000 1.026 370 E CA -1.222 55.023 56.400 -0.259 0.000 0.820 370 E CB 1.759 31.271 29.700 -0.312 0.000 1.226 370 E HN 0.207 nan 8.360 nan 0.000 0.432 371 L N -0.629 120.358 121.223 -0.393 0.000 2.401 371 L HA 0.699 5.039 4.340 0.000 0.000 0.266 371 L C -1.032 175.741 176.870 -0.161 0.000 0.991 371 L CA -0.807 53.884 54.840 -0.248 0.000 0.818 371 L CB 0.751 42.779 42.059 -0.051 0.000 1.321 371 L HN 0.561 nan 8.230 nan 0.000 0.413 372 F N 1.271 121.394 119.950 0.290 0.000 2.425 372 F HA 0.728 5.256 4.527 0.000 0.000 0.331 372 F C -1.930 173.997 175.800 0.211 0.000 1.085 372 F CA -1.926 56.236 58.000 0.271 0.000 1.028 372 F CB 1.315 40.384 39.000 0.116 0.000 1.177 372 F HN 0.347 nan 8.300 nan 0.000 0.487 373 P HA 0.076 nan 4.420 nan 0.000 0.269 373 P C -0.865 176.361 177.300 -0.124 0.000 1.209 373 P CA -0.027 62.891 63.100 -0.303 0.000 0.776 373 P CB 1.258 32.734 31.700 -0.374 0.000 0.876 374 V N 3.149 122.947 119.914 -0.193 0.000 2.417 374 V HA 0.219 4.339 4.120 0.000 0.000 0.291 374 V C 0.539 176.552 176.094 -0.134 0.000 1.024 374 V CA -0.311 61.922 62.300 -0.111 0.000 0.861 374 V CB 1.396 33.168 31.823 -0.086 0.000 0.985 374 V HN 0.523 nan 8.190 nan 0.000 0.436 375 T N 6.103 120.598 114.554 -0.098 0.000 2.832 375 T HA 0.493 4.844 4.350 0.000 0.000 0.296 375 T C 0.019 174.644 174.700 -0.125 0.000 0.968 375 T CA -0.071 61.972 62.100 -0.095 0.000 1.107 375 T CB 0.555 69.389 68.868 -0.056 0.000 0.916 375 T HN 0.355 nan 8.240 nan 0.000 0.517 376 I N 4.011 124.464 120.570 -0.196 0.000 2.347 376 I HA 0.204 4.374 4.170 0.000 0.000 0.294 376 I C 0.743 176.737 176.117 -0.206 0.000 1.090 376 I CA 0.203 61.291 61.300 -0.354 0.000 1.314 376 I CB -0.030 37.420 38.000 -0.917 0.000 1.423 376 I HN 0.605 nan 8.210 nan 0.000 0.503 377 T N 7.207 121.686 114.554 -0.125 0.000 2.887 377 T HA 0.355 4.705 4.350 0.000 0.000 0.288 377 T C -1.757 172.919 174.700 -0.041 0.000 1.021 377 T CA -1.367 60.710 62.100 -0.037 0.000 1.000 377 T CB 1.977 70.834 68.868 -0.018 0.000 1.034 377 T HN 0.259 nan 8.240 nan 0.000 0.467 378 P HA -0.148 nan 4.420 nan 0.000 0.216 378 P C 1.713 179.003 177.300 -0.017 0.000 1.150 378 P CA 1.013 64.103 63.100 -0.016 0.000 0.837 378 P CB 0.120 31.823 31.700 0.005 0.000 0.786 379 S N -1.027 114.672 115.700 -0.002 0.000 2.400 379 S HA -0.140 4.330 4.470 0.000 0.000 0.232 379 S C 1.917 176.520 174.600 0.005 0.000 1.025 379 S CA 1.242 59.447 58.200 0.009 0.000 0.993 379 S CB -0.849 62.358 63.200 0.012 0.000 0.808 379 S HN 0.174 nan 8.310 nan 0.000 0.478 380 N N -0.094 118.598 118.700 -0.015 0.000 2.258 380 N HA 0.146 4.886 4.740 0.000 0.000 0.183 380 N C 1.336 176.833 175.510 -0.021 0.000 1.029 380 N CA 1.244 54.283 53.050 -0.019 0.000 0.857 380 N CB 0.005 38.465 38.487 -0.045 0.000 1.008 380 N HN 0.345 nan 8.380 nan 0.000 0.433 381 L N 0.524 121.717 121.223 -0.050 0.000 2.731 381 L HA 0.197 4.537 4.340 0.000 0.000 0.240 381 L C 0.403 177.233 176.870 -0.067 0.000 1.120 381 L CA -0.039 54.769 54.840 -0.053 0.000 0.913 381 L CB 0.458 42.461 42.059 -0.093 0.000 1.213 381 L HN 0.036 nan 8.230 nan 0.000 0.515 382 Q N 0.990 120.724 119.800 -0.109 0.000 2.300 382 Q HA -0.017 4.323 4.340 0.000 0.000 0.280 382 Q C 0.059 175.921 176.000 -0.229 0.000 1.033 382 Q CA 0.353 55.989 55.803 -0.279 0.000 0.903 382 Q CB 0.247 28.769 28.738 -0.359 0.000 1.195 382 Q HN 0.300 nan 8.270 nan 0.000 0.386 383 H N -1.702 117.379 119.070 0.018 0.000 3.179 383 H HA -0.212 4.344 4.556 0.000 0.000 0.250 383 H C -0.273 175.102 175.328 0.079 0.000 1.142 383 H CA 0.804 56.873 56.048 0.035 0.000 1.165 383 H CB -1.744 28.024 29.762 0.009 0.000 1.253 383 H HN 0.634 nan 8.280 nan 0.000 0.325 384 A N 1.741 124.634 122.820 0.121 0.000 2.363 384 A HA 0.501 4.821 4.320 0.000 0.000 0.270 384 A C 0.780 178.460 177.584 0.160 0.000 1.121 384 A CA -0.440 51.675 52.037 0.130 0.000 0.800 384 A CB 0.603 19.649 19.000 0.077 0.000 1.052 384 A HN 0.214 nan 8.150 nan 0.000 0.493 385 I N 3.055 123.746 120.570 0.202 0.000 2.371 385 I HA 0.243 4.413 4.170 0.000 0.000 0.290 385 I C 0.012 176.280 176.117 0.250 0.000 1.028 385 I CA 0.112 61.560 61.300 0.248 0.000 1.345 385 I CB 0.548 38.688 38.000 0.233 0.000 1.407 385 I HN 0.462 nan 8.210 nan 0.000 0.501 386 I N 5.243 125.972 120.570 0.265 0.000 2.433 386 I HA 0.416 4.586 4.170 0.000 0.000 0.292 386 I C 0.338 176.560 176.117 0.176 0.000 1.001 386 I CA -0.725 60.693 61.300 0.197 0.000 1.119 386 I CB 1.999 40.070 38.000 0.119 0.000 1.289 386 I HN 0.591 nan 8.210 nan 0.000 0.438 387 A N 7.572 130.436 122.820 0.074 0.000 2.363 387 A HA 0.661 4.981 4.320 0.000 0.000 0.270 387 A C -0.392 177.059 177.584 -0.221 0.000 1.121 387 A CA -0.159 51.690 52.037 -0.313 0.000 0.800 387 A CB 0.151 19.013 19.000 -0.230 0.000 1.052 387 A HN 0.664 nan 8.150 nan 0.000 0.493 388 I N 2.623 122.996 120.570 -0.329 0.000 2.339 388 I HA 0.299 4.469 4.170 0.000 0.000 0.290 388 I C 0.876 176.875 176.117 -0.198 0.000 0.994 388 I CA -0.300 60.884 61.300 -0.193 0.000 1.191 388 I CB 1.928 39.825 38.000 -0.172 0.000 1.343 388 I HN 0.825 nan 8.210 nan 0.000 0.458 389 T N 1.224 115.713 114.554 -0.109 0.000 2.862 389 T HA 0.374 4.724 4.350 0.000 0.000 0.276 389 T C 0.565 175.220 174.700 -0.075 0.000 0.974 389 T CA -0.267 61.809 62.100 -0.041 0.000 0.966 389 T CB 1.016 69.888 68.868 0.007 0.000 1.072 389 T HN 0.317 nan 8.240 nan 0.000 0.538 390 F N 0.604 120.528 119.950 -0.043 0.000 2.743 390 F HA 0.439 4.966 4.527 0.000 0.000 0.297 390 F C 1.871 177.659 175.800 -0.020 0.000 1.131 390 F CA -0.073 57.910 58.000 -0.029 0.000 1.426 390 F CB -0.331 38.650 39.000 -0.031 0.000 1.116 390 F HN 0.740 nan 8.300 nan 0.000 0.583 391 A N 0.686 123.584 122.820 0.130 0.000 2.425 391 A HA 0.175 4.495 4.320 0.000 0.000 0.249 391 A C 0.544 178.163 177.584 0.057 0.000 1.084 391 A CA -0.510 51.570 52.037 0.072 0.000 0.781 391 A CB 0.103 19.119 19.000 0.027 0.000 1.019 391 A HN 0.076 nan 8.150 nan 0.000 0.490 392 E N 0.854 121.087 120.200 0.055 0.000 2.425 392 E HA 0.015 4.365 4.350 0.000 0.000 0.258 392 E C 1.182 177.827 176.600 0.074 0.000 1.151 392 E CA -0.153 56.278 56.400 0.053 0.000 0.958 392 E CB 0.339 30.067 29.700 0.046 0.000 0.968 392 E HN 0.651 nan 8.360 nan 0.000 0.451 393 R N 1.209 121.753 120.500 0.073 0.000 2.073 393 R HA -0.135 4.205 4.340 0.000 0.000 0.234 393 R C 1.716 178.092 176.300 0.128 0.000 1.134 393 R CA 1.142 57.302 56.100 0.100 0.000 0.952 393 R CB -0.184 30.154 30.300 0.064 0.000 0.850 393 R HN 0.212 nan 8.270 nan 0.000 0.433 394 R N 0.669 121.225 120.500 0.093 0.000 2.343 394 R HA 0.125 4.465 4.340 0.000 0.000 0.202 394 R C 0.038 176.401 176.300 0.106 0.000 1.023 394 R CA 0.141 56.297 56.100 0.094 0.000 1.084 394 R CB -0.065 30.271 30.300 0.061 0.000 0.956 394 R HN 0.161 nan 8.270 nan 0.000 0.478 395 A N 1.504 124.394 122.820 0.115 0.000 2.354 395 A HA 0.202 4.522 4.320 0.000 0.000 0.269 395 A C -0.049 177.584 177.584 0.081 0.000 1.109 395 A CA -0.799 51.281 52.037 0.071 0.000 0.800 395 A CB 0.259 19.277 19.000 0.031 0.000 1.045 395 A HN 0.364 nan 8.150 nan 0.000 0.489 396 D N 1.348 121.755 120.400 0.011 0.000 2.384 396 D HA -0.024 4.616 4.640 0.000 0.000 0.244 396 D C 1.007 177.146 176.300 -0.270 0.000 1.251 396 D CA 0.208 54.184 54.000 -0.039 0.000 0.961 396 D CB 0.432 41.215 40.800 -0.029 0.000 1.116 396 D HN 0.676 nan 8.370 nan 0.000 0.484 397 Q N -0.083 119.467 119.800 -0.416 0.000 2.167 397 Q HA -0.066 4.274 4.340 0.000 0.000 0.202 397 Q C 1.888 177.643 176.000 -0.408 0.000 0.970 397 Q CA 1.525 56.913 55.803 -0.691 0.000 0.855 397 Q CB -0.336 28.004 28.738 -0.664 0.000 0.911 397 Q HN 0.498 nan 8.270 nan 0.000 0.438 398 A N 0.851 123.523 122.820 -0.246 0.000 1.969 398 A HA -0.124 4.197 4.320 0.000 0.000 0.218 398 A C 2.173 179.666 177.584 -0.152 0.000 1.169 398 A CA 1.701 53.636 52.037 -0.169 0.000 0.635 398 A CB -0.839 18.095 19.000 -0.111 0.000 0.810 398 A HN 0.478 nan 8.150 nan 0.000 0.445 399 T N -0.577 113.885 114.554 -0.154 0.000 2.809 399 T HA -0.059 4.292 4.350 0.000 0.000 0.260 399 T C 1.908 176.523 174.700 -0.141 0.000 1.039 399 T CA 1.377 63.407 62.100 -0.117 0.000 1.141 399 T CB -0.377 68.442 68.868 -0.083 0.000 0.869 399 T HN 0.144 nan 8.240 nan 0.000 0.437 400 V N 1.579 121.356 119.914 -0.229 0.000 2.295 400 V HA -0.132 3.988 4.120 0.000 0.000 0.246 400 V C 2.382 178.350 176.094 -0.209 0.000 1.049 400 V CA 1.335 63.482 62.300 -0.255 0.000 1.024 400 V CB -0.640 30.879 31.823 -0.507 0.000 0.648 400 V HN 0.360 nan 8.190 nan 0.000 0.447 401 I N 0.857 121.282 120.570 -0.241 0.000 2.399 401 I HA -0.252 3.919 4.170 0.000 0.000 0.254 401 I C 1.986 178.045 176.117 -0.097 0.000 1.146 401 I CA 1.857 63.056 61.300 -0.168 0.000 1.412 401 I CB -0.189 37.708 38.000 -0.171 0.000 1.076 401 I HN 0.466 nan 8.210 nan 0.000 0.432 402 K N -0.891 119.455 120.400 -0.089 0.000 2.564 402 K HA 0.282 4.602 4.320 0.000 0.000 0.205 402 K C 0.460 177.031 176.600 -0.048 0.000 1.053 402 K CA -0.136 56.117 56.287 -0.058 0.000 1.072 402 K CB 0.147 32.615 32.500 -0.054 0.000 0.822 402 K HN 0.106 nan 8.250 nan 0.000 0.497 403 S N 3.272 118.946 115.700 -0.043 0.000 2.523 403 S HA 0.264 4.734 4.470 0.000 0.000 0.275 403 S C -1.972 172.647 174.600 0.033 0.000 1.281 403 S CA -1.343 56.857 58.200 -0.001 0.000 1.050 403 S CB 0.446 63.657 63.200 0.018 0.000 0.937 403 S HN 0.206 nan 8.310 nan 0.000 0.492 404 P HA 0.166 nan 4.420 nan 0.000 0.271 404 P C -0.731 176.706 177.300 0.227 0.000 1.244 404 P CA -0.325 62.818 63.100 0.072 0.000 0.793 404 P CB 0.298 31.946 31.700 -0.087 0.000 0.984 405 I N 1.022 121.689 120.570 0.160 0.000 2.331 405 I HA 0.139 4.309 4.170 0.000 0.000 0.292 405 I C 1.647 177.835 176.117 0.117 0.000 0.998 405 I CA -0.005 61.327 61.300 0.052 0.000 1.267 405 I CB 0.842 38.791 38.000 -0.084 0.000 1.386 405 I HN 0.295 nan 8.210 nan 0.000 0.476 406 L N 4.779 125.946 121.223 -0.093 0.000 2.102 406 L HA 0.337 4.677 4.340 0.000 0.000 0.202 406 L C 0.952 177.753 176.870 -0.116 0.000 1.076 406 L CA 0.961 55.672 54.840 -0.215 0.000 0.761 406 L CB 0.170 41.896 42.059 -0.554 0.000 0.921 406 L HN 0.830 nan 8.230 nan 0.000 0.444 407 G N -2.149 106.513 108.800 -0.230 0.000 2.325 407 G HA2 0.267 4.227 3.960 0.000 0.000 0.295 407 G HA3 0.267 4.227 3.960 0.000 0.000 0.295 407 G C -1.938 172.688 174.900 -0.456 0.000 1.274 407 G CA -0.684 44.337 45.100 -0.132 0.000 0.857 407 G HN -0.112 nan 8.290 nan 0.000 0.499 408 F N 0.195 120.174 119.950 0.050 0.000 2.577 408 F HA 0.831 5.358 4.527 0.000 0.000 0.318 408 F C 0.501 176.464 175.800 0.272 0.000 1.065 408 F CA -0.344 57.664 58.000 0.014 0.000 0.929 408 F CB 2.735 41.553 39.000 -0.302 0.000 1.237 408 F HN 0.777 nan 8.300 nan 0.000 0.468 409 A N 2.936 126.038 122.820 0.470 0.000 2.393 409 A HA 0.729 5.049 4.320 0.000 0.000 0.306 409 A C -1.705 176.105 177.584 0.376 0.000 1.050 409 A CA -0.675 51.644 52.037 0.470 0.000 0.724 409 A CB 1.490 20.639 19.000 0.249 0.000 1.248 409 A HN 0.819 nan 8.150 nan 0.000 0.424 410 L N 2.788 124.133 121.223 0.204 0.000 2.325 410 L HA 0.572 4.912 4.340 0.000 0.000 0.279 410 L C -0.957 175.928 176.870 0.025 0.000 1.054 410 L CA -0.657 54.211 54.840 0.047 0.000 0.804 410 L CB 1.141 43.064 42.059 -0.227 0.000 1.200 410 L HN 0.662 nan 8.230 nan 0.000 0.436 411 I N 3.492 124.087 120.570 0.041 0.000 2.354 411 I HA 0.145 4.315 4.170 0.000 0.000 0.286 411 I C 0.961 177.054 176.117 -0.039 0.000 1.007 411 I CA -0.275 61.022 61.300 -0.006 0.000 1.167 411 I CB 1.800 39.788 38.000 -0.020 0.000 1.320 411 I HN 0.665 nan 8.210 nan 0.000 0.458 412 T N 3.972 118.502 114.554 -0.040 0.000 2.698 412 T HA 0.007 4.358 4.350 0.000 0.000 0.260 412 T C 0.497 175.124 174.700 -0.122 0.000 1.044 412 T CA 1.033 63.109 62.100 -0.039 0.000 1.149 412 T CB -0.016 68.844 68.868 -0.013 0.000 0.864 412 T HN 0.542 nan 8.240 nan 0.000 0.419 413 E N 0.119 120.266 120.200 -0.088 0.000 2.288 413 E HA 0.590 4.940 4.350 0.000 0.000 0.268 413 E C -1.644 174.923 176.600 -0.055 0.000 0.885 413 E CA -0.634 55.715 56.400 -0.086 0.000 0.767 413 E CB 2.974 32.651 29.700 -0.038 0.000 1.220 413 E HN -0.098 nan 8.360 nan 0.000 0.427 414 V N 2.774 122.662 119.914 -0.044 0.000 2.349 414 V HA 0.206 4.326 4.120 0.000 0.000 0.284 414 V C -0.594 175.543 176.094 0.072 0.000 1.014 414 V CA -0.888 61.430 62.300 0.031 0.000 0.826 414 V CB 1.157 32.975 31.823 -0.009 0.000 1.009 414 V HN 0.539 nan 8.190 nan 0.000 0.431 415 N N 3.334 122.096 118.700 0.102 0.000 2.602 415 N HA 0.135 4.875 4.740 0.000 0.000 0.238 415 N C 1.260 176.791 175.510 0.036 0.000 1.084 415 N CA -0.311 52.768 53.050 0.048 0.000 0.952 415 N CB 0.959 39.450 38.487 0.006 0.000 1.244 415 N HN 0.815 nan 8.380 nan 0.000 0.512 416 E N 2.190 122.427 120.200 0.063 0.000 2.208 416 E HA -0.087 4.263 4.350 0.000 0.000 0.193 416 E C 0.748 177.317 176.600 -0.052 0.000 0.988 416 E CA 0.910 57.337 56.400 0.046 0.000 0.828 416 E CB 0.084 29.843 29.700 0.098 0.000 0.763 416 E HN 0.396 nan 8.360 nan 0.000 0.478 417 K N 0.414 120.790 120.400 -0.040 0.000 2.217 417 K HA 0.028 4.348 4.320 0.000 0.000 0.202 417 K C 1.934 178.488 176.600 -0.077 0.000 1.051 417 K CA 0.501 56.759 56.287 -0.048 0.000 0.952 417 K CB 0.118 32.601 32.500 -0.029 0.000 0.736 417 K HN 0.107 nan 8.250 nan 0.000 0.453 418 R N 0.288 120.728 120.500 -0.100 0.000 1.686 418 R HA 0.191 4.531 4.340 0.000 0.000 0.125 418 R C 0.771 176.923 176.300 -0.246 0.000 2.019 418 R CA 0.129 56.150 56.100 -0.131 0.000 1.817 418 R CB 0.307 30.546 30.300 -0.101 0.000 1.257 418 R HN -0.113 nan 8.270 nan 0.000 0.504 419 R N 0.212 120.515 120.500 -0.330 0.000 2.486 419 R HA 0.131 4.471 4.340 0.000 0.000 0.200 419 R C -1.608 174.381 176.300 -0.518 0.000 0.729 419 R CA 0.040 55.709 56.100 -0.719 0.000 0.920 419 R CB 0.105 30.066 30.300 -0.564 0.000 1.234 419 R HN 0.096 nan 8.270 nan 0.000 0.628 420 K N 0.825 121.124 120.400 -0.169 0.000 2.395 420 K HA 0.552 4.872 4.320 0.000 0.000 0.247 420 K C -0.898 175.797 176.600 0.158 0.000 0.973 420 K CA -0.920 55.393 56.287 0.044 0.000 0.828 420 K CB 2.559 35.054 32.500 -0.007 0.000 1.272 420 K HN -0.063 nan 8.250 nan 0.000 0.439 421 L N 1.513 122.816 121.223 0.134 0.000 2.354 421 L HA 0.528 4.868 4.340 0.000 0.000 0.269 421 L C -0.162 176.725 176.870 0.028 0.000 1.005 421 L CA -1.161 53.729 54.840 0.083 0.000 0.819 421 L CB 1.582 43.678 42.059 0.062 0.000 1.311 421 L HN 0.280 nan 8.230 nan 0.000 0.423 422 R N 2.302 122.804 120.500 0.002 0.000 2.278 422 R HA 0.443 4.783 4.340 0.000 0.000 0.322 422 R C -1.081 175.206 176.300 -0.022 0.000 1.058 422 R CA -0.477 55.613 56.100 -0.017 0.000 0.991 422 R CB 1.137 31.423 30.300 -0.024 0.000 1.140 422 R HN 0.294 nan 8.270 nan 0.000 0.518 423 V N 4.562 124.465 119.914 -0.017 0.000 2.427 423 V HA 0.318 4.438 4.120 0.000 0.000 0.286 423 V C 0.019 176.103 176.094 -0.016 0.000 1.034 423 V CA -0.986 61.312 62.300 -0.004 0.000 0.893 423 V CB 1.885 33.720 31.823 0.021 0.000 0.982 423 V HN 0.446 nan 8.190 nan 0.000 0.452 424 L N 5.713 126.918 121.223 -0.029 0.000 2.275 424 L HA 0.613 4.953 4.340 0.000 0.000 0.288 424 L C -0.722 176.202 176.870 0.089 0.000 1.046 424 L CA 0.176 54.979 54.840 -0.063 0.000 0.805 424 L CB 1.108 43.013 42.059 -0.257 0.000 1.193 424 L HN 0.504 nan 8.230 nan 0.000 0.426 425 L N 7.759 129.086 121.223 0.174 0.000 2.334 425 L HA 0.656 4.996 4.340 0.000 0.000 0.273 425 L C -1.643 175.435 176.870 0.346 0.000 1.013 425 L CA -1.445 53.575 54.840 0.299 0.000 0.816 425 L CB 1.853 44.042 42.059 0.216 0.000 1.278 425 L HN 0.453 nan 8.230 nan 0.000 0.431 426 P HA -0.010 nan 4.420 nan 0.000 0.221 426 P C 0.004 177.280 177.300 -0.040 0.000 1.155 426 P CA 0.716 63.816 63.100 -0.001 0.000 0.812 426 P CB 0.556 32.038 31.700 -0.363 0.000 0.801 427 V N 2.654 122.571 119.914 0.006 0.000 2.328 427 V HA 0.292 4.412 4.120 0.000 0.000 0.278 427 V C -2.345 173.741 176.094 -0.013 0.000 1.021 427 V CA -2.069 60.214 62.300 -0.028 0.000 0.838 427 V CB 0.901 32.698 31.823 -0.044 0.000 0.999 427 V HN -0.069 nan 8.190 nan 0.000 0.447 428 P HA 0.373 nan 4.420 nan 0.000 0.261 428 P C 0.525 177.616 177.300 -0.348 0.000 1.183 428 P CA 1.018 63.912 63.100 -0.343 0.000 0.761 428 P CB 0.488 31.972 31.700 -0.360 0.000 0.785 429 G N 2.467 111.014 108.800 -0.421 0.000 2.334 429 G HA2 0.086 4.046 3.960 0.000 0.000 0.249 429 G HA3 0.086 4.046 3.960 0.000 0.000 0.249 429 G C -1.253 173.637 174.900 -0.017 0.000 1.327 429 G CA -0.962 44.016 45.100 -0.202 0.000 0.979 429 G HN 0.656 nan 8.290 nan 0.000 0.471 430 R N 0.360 120.860 120.500 0.000 0.000 2.594 430 R HA 0.580 4.920 4.340 0.000 0.000 0.272 430 R C 0.308 176.639 176.300 0.052 0.000 1.074 430 R CA -0.693 55.430 56.100 0.039 0.000 1.105 430 R CB 1.033 31.341 30.300 0.014 0.000 1.008 430 R HN 0.531 nan 8.270 nan 0.000 0.472 431 L N 4.484 125.746 121.223 0.065 0.000 2.433 431 L HA 0.218 4.558 4.340 0.000 0.000 0.275 431 L C -1.940 174.942 176.870 0.020 0.000 1.128 431 L CA -1.654 53.218 54.840 0.053 0.000 0.875 431 L CB 0.443 42.535 42.059 0.055 0.000 1.171 431 L HN 0.673 nan 8.230 nan 0.000 0.463 432 P HA 0.024 nan 4.420 nan 0.000 0.265 432 P C -0.347 176.942 177.300 -0.019 0.000 1.222 432 P CA -0.103 62.978 63.100 -0.031 0.000 0.767 432 P CB 0.305 31.957 31.700 -0.079 0.000 0.801 433 S N 4.229 119.923 115.700 -0.010 0.000 3.065 433 S HA 0.238 4.708 4.470 0.000 0.000 0.311 433 S C 0.120 174.721 174.600 0.002 0.000 1.204 433 S CA -0.502 57.700 58.200 0.003 0.000 1.040 433 S CB -0.311 62.896 63.200 0.011 0.000 1.436 433 S HN 0.245 nan 8.310 nan 0.000 0.532 434 K N 1.110 121.510 120.400 0.001 0.000 2.480 434 K HA 0.729 5.049 4.320 0.000 0.000 0.258 434 K C 0.108 176.736 176.600 0.047 0.000 0.990 434 K CA -0.803 55.488 56.287 0.006 0.000 0.857 434 K CB 1.853 34.322 32.500 -0.050 0.000 1.384 434 K HN 0.495 nan 8.250 nan 0.000 0.446 438 L N 6.042 127.336 121.223 0.117 0.000 2.416 438 L HA 0.550 4.890 4.340 0.000 0.000 0.272 438 L C 0.417 177.350 176.870 0.104 0.000 1.161 438 L CA 0.404 55.306 54.840 0.103 0.000 0.845 438 L CB 1.003 43.108 42.059 0.076 0.000 1.119 438 L HN 0.813 nan 8.230 nan 0.000 0.464 439 T N -0.013 114.620 114.554 0.131 0.000 2.940 439 T HA 0.290 4.640 4.350 0.000 0.000 0.288 439 T C 0.868 175.611 174.700 0.072 0.000 1.033 439 T CA -0.499 61.682 62.100 0.134 0.000 1.033 439 T CB 1.713 70.737 68.868 0.260 0.000 1.079 439 T HN 0.589 nan 8.240 nan 0.000 0.496 440 S N 0.093 115.765 115.700 -0.046 0.000 2.474 440 S HA 0.042 4.512 4.470 0.000 0.000 0.235 440 S C 0.010 174.482 174.600 -0.214 0.000 0.997 440 S CA 0.516 58.601 58.200 -0.191 0.000 0.949 440 S CB -0.659 62.324 63.200 -0.361 0.000 0.766 440 S HN 0.680 nan 8.310 nan 0.000 0.517 441 Y N 2.339 122.656 120.300 0.028 0.000 2.359 441 Y HA 0.351 4.901 4.550 0.000 0.000 0.334 441 Y C 0.894 176.838 175.900 0.074 0.000 1.058 441 Y CA -0.398 57.721 58.100 0.033 0.000 1.244 441 Y CB 0.510 38.970 38.460 -0.000 0.000 1.187 441 Y HN -0.119 nan 8.280 nan 0.000 0.510 442 R N 2.908 123.539 120.500 0.218 0.000 2.637 442 R HA 0.354 4.695 4.340 0.000 0.000 0.291 442 R C -1.761 174.696 176.300 0.263 0.000 0.963 442 R CA -1.209 55.015 56.100 0.208 0.000 0.901 442 R CB 2.101 32.482 30.300 0.136 0.000 1.160 442 R HN 0.702 nan 8.270 nan 0.000 0.457 443 Y N 2.153 122.523 120.300 0.117 0.000 2.373 443 Y HA 0.259 4.809 4.550 0.000 0.000 0.336 443 Y C -0.160 175.761 175.900 0.036 0.000 0.979 443 Y CA -0.618 57.527 58.100 0.075 0.000 1.080 443 Y CB 1.267 39.787 38.460 0.100 0.000 1.190 443 Y HN 0.643 nan 8.280 nan 0.000 0.446 444 L N 3.078 123.950 121.223 -0.585 0.000 2.292 444 L HA 0.313 4.653 4.340 0.000 0.000 0.196 444 L C 0.806 177.285 176.870 -0.653 0.000 1.246 444 L CA 0.398 54.876 54.840 -0.604 0.000 0.864 444 L CB -0.035 41.724 42.059 -0.500 0.000 1.044 444 L HN 0.735 nan 8.230 nan 0.000 0.504 445 E N 0.000 119.835 120.200 -0.609 0.000 2.725 445 E HA 0.000 4.350 4.350 0.000 0.000 0.291 445 E CA 0.000 56.155 56.400 -0.408 0.000 0.976 445 E CB 0.000 29.569 29.700 -0.218 0.000 0.812 445 E HN 0.000 nan 8.360 nan 0.000 0.440