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 1dj3_1_A DATA FIRST_RESID 11 DATA SEQUENCE ADRVSSLSNV SGVLGSQWGD EGKGKLVDVL APRFDIVARC QGGANAGHTI DATA SEQUENCE YNSEGKKFAL HLVPSGILHE GTLCVVGNGA VIHVPGFFGE IDGLQSNGVS DATA SEQUENCE CDGRILVSDR AHLLFDLHQT VDGLREAELA NSFIGTTKRG IGPCYSSKVT DATA SEQUENCE RNGLRVCDLR HMDTFGDKLD VLFEDAAARF EGFKYSKGML KEEVERYKKF DATA SEQUENCE AERLEPFIAD TVHVLNESIR QKKKILVEGG QATMLDIDFG TYPFVTSSSP DATA SEQUENCE SAGGICTGLG IAPRVIGDLI GVVKAYTTRV GSGPFPTELL GEEGDVLRKA DATA SEQUENCE GMEFGTTTGR PRRCGWLDIV ALKYCCDING FSSLNLTKLD VLSGLPEIKL DATA SEQUENCE GVSYNQMDGE KLQSFPGDLD TLEQVQVNYE VLPGWDSDIS SVRSYSELPQ DATA SEQUENCE AARRYVERIE ELAGVPVHYI GVGPGRDALI YK 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.501 177.584 -0.139 0.000 1.274 11 A CA 0.000 51.963 52.037 -0.123 0.000 0.836 11 A CB 0.000 18.945 19.000 -0.091 0.000 0.831 12 D N 0.757 121.089 120.400 -0.114 0.000 2.801 12 D HA 0.178 4.818 4.640 -0.000 0.000 0.232 12 D C 1.455 177.727 176.300 -0.046 0.000 1.128 12 D CA -0.019 53.921 54.000 -0.100 0.000 1.003 12 D CB 0.397 41.151 40.800 -0.077 0.000 1.110 12 D HN 0.291 nan 8.370 nan 0.000 0.477 13 R N -0.113 120.380 120.500 -0.012 0.000 2.120 13 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 13 R C 2.248 178.684 176.300 0.227 0.000 1.123 13 R CA 0.645 56.823 56.100 0.130 0.000 0.975 13 R CB -0.675 29.749 30.300 0.208 0.000 0.866 13 R HN 0.291 nan 8.270 nan 0.000 0.446 14 V N -2.982 117.030 119.914 0.164 0.000 2.490 14 V HA -0.101 4.019 4.120 -0.000 0.000 0.250 14 V C 1.359 177.473 176.094 0.033 0.000 1.061 14 V CA 2.072 64.452 62.300 0.133 0.000 1.064 14 V CB -0.391 31.465 31.823 0.056 0.000 0.670 14 V HN 0.092 nan 8.190 nan 0.000 0.461 15 S N -0.231 115.466 115.700 -0.005 0.000 2.557 15 S HA 0.216 4.686 4.470 -0.000 0.000 0.223 15 S C 1.784 176.373 174.600 -0.019 0.000 0.969 15 S CA 0.574 58.747 58.200 -0.046 0.000 0.927 15 S CB 0.332 63.497 63.200 -0.058 0.000 0.806 15 S HN 0.638 nan 8.310 nan 0.000 0.489 16 S N 1.419 117.138 115.700 0.031 0.000 2.486 16 S HA 0.285 4.755 4.470 -0.000 0.000 0.220 16 S C 0.660 175.306 174.600 0.078 0.000 1.011 16 S CA -0.059 58.171 58.200 0.050 0.000 0.921 16 S CB -0.028 63.215 63.200 0.071 0.000 0.785 16 S HN 0.420 nan 8.310 nan 0.000 0.517 17 L N 2.944 124.234 121.223 0.111 0.000 2.483 17 L HA 0.121 4.461 4.340 -0.000 0.000 0.276 17 L C 0.925 177.863 176.870 0.113 0.000 1.213 17 L CA -0.509 54.432 54.840 0.169 0.000 0.843 17 L CB 0.139 42.394 42.059 0.327 0.000 1.107 17 L HN 0.234 nan 8.230 nan 0.000 0.487 18 S N 1.018 116.805 115.700 0.145 0.000 2.634 18 S HA 0.059 4.529 4.470 -0.000 0.000 0.261 18 S C 0.906 175.591 174.600 0.142 0.000 1.271 18 S CA -0.586 57.677 58.200 0.106 0.000 0.985 18 S CB 0.798 64.048 63.200 0.084 0.000 0.968 18 S HN 0.672 nan 8.310 nan 0.000 0.568 19 N N 0.025 118.778 118.700 0.089 0.000 2.091 19 N HA -0.132 4.608 4.740 -0.000 0.000 0.193 19 N C -0.070 175.542 175.510 0.170 0.000 1.021 19 N CA 1.333 54.439 53.050 0.092 0.000 0.862 19 N CB -0.493 38.024 38.487 0.051 0.000 1.018 19 N HN 0.500 nan 8.380 nan 0.000 0.429 20 V N 0.713 120.712 119.914 0.141 0.000 2.340 20 V HA 0.376 4.496 4.120 -0.000 0.000 0.277 20 V C -0.407 175.740 176.094 0.089 0.000 1.017 20 V CA -0.603 61.765 62.300 0.113 0.000 0.820 20 V CB 1.186 33.041 31.823 0.053 0.000 1.028 20 V HN 0.055 nan 8.190 nan 0.000 0.436 21 S N 2.205 117.952 115.700 0.078 0.000 2.747 21 S HA 0.967 5.437 4.470 -0.000 0.000 0.300 21 S C 0.283 174.813 174.600 -0.117 0.000 1.121 21 S CA -0.377 57.829 58.200 0.011 0.000 0.995 21 S CB 2.094 65.355 63.200 0.102 0.000 1.113 21 S HN 1.030 nan 8.310 nan 0.000 0.547 22 G N -0.267 108.484 108.800 -0.081 0.000 2.732 22 G HA2 0.530 4.490 3.960 -0.000 0.000 0.296 22 G HA3 0.530 4.490 3.960 -0.000 0.000 0.296 22 G C -1.907 172.964 174.900 -0.048 0.000 1.448 22 G CA -0.453 44.594 45.100 -0.088 0.000 0.911 22 G HN 0.579 nan 8.290 nan 0.000 0.528 23 V N 1.829 121.705 119.914 -0.063 0.000 2.370 23 V HA 0.635 4.755 4.120 -0.000 0.000 0.283 23 V C -0.055 176.033 176.094 -0.010 0.000 1.023 23 V CA -0.494 61.774 62.300 -0.053 0.000 0.857 23 V CB 0.987 32.759 31.823 -0.085 0.000 0.985 23 V HN 0.594 nan 8.190 nan 0.000 0.443 24 L N 3.734 124.962 121.223 0.008 0.000 2.381 24 L HA 0.747 5.087 4.340 -0.000 0.000 0.268 24 L C 0.666 177.513 176.870 -0.038 0.000 0.997 24 L CA -0.705 54.166 54.840 0.052 0.000 0.818 24 L CB 2.062 44.259 42.059 0.230 0.000 1.310 24 L HN 0.716 nan 8.230 nan 0.000 0.416 25 G N -0.067 108.715 108.800 -0.029 0.000 2.370 25 G HA2 0.340 4.300 3.960 -0.000 0.000 0.272 25 G HA3 0.340 4.300 3.960 -0.000 0.000 0.272 25 G C 0.644 175.504 174.900 -0.066 0.000 1.208 25 G CA -0.058 44.996 45.100 -0.077 0.000 0.856 25 G HN 0.756 nan 8.290 nan 0.000 0.500 26 S N 0.812 116.436 115.700 -0.128 0.000 2.540 26 S HA 0.165 4.635 4.470 -0.000 0.000 0.218 26 S C 0.888 175.385 174.600 -0.172 0.000 0.977 26 S CA -0.187 57.951 58.200 -0.103 0.000 0.918 26 S CB 0.215 63.314 63.200 -0.168 0.000 0.806 26 S HN 0.668 nan 8.310 nan 0.000 0.496 27 Q N -0.445 119.253 119.800 -0.170 0.000 3.081 27 Q HA 0.477 4.817 4.340 -0.000 0.000 0.204 27 Q C -0.681 175.144 176.000 -0.292 0.000 1.168 27 Q CA -0.878 54.799 55.803 -0.209 0.000 0.349 27 Q CB 0.534 29.297 28.738 0.043 0.000 5.722 27 Q HN 0.422 nan 8.270 nan 0.000 0.302 28 W N -0.268 120.991 121.300 -0.067 0.000 2.820 28 W HA 0.467 5.127 4.660 -0.000 0.000 0.350 28 W C 0.445 176.927 176.519 -0.062 0.000 1.116 28 W CA 0.026 57.331 57.345 -0.067 0.000 1.146 28 W CB 1.095 30.479 29.460 -0.126 0.000 1.433 28 W HN 0.911 nan 8.180 nan 0.000 0.561 29 G N 1.808 110.733 108.800 0.209 0.000 2.578 29 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.284 29 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.284 29 G C -0.854 174.067 174.900 0.034 0.000 1.283 29 G CA 0.213 45.375 45.100 0.103 0.000 0.944 29 G HN 0.465 nan 8.290 nan 0.000 0.558 30 D N 1.343 121.748 120.400 0.008 0.000 2.365 30 D HA 0.513 5.153 4.640 -0.000 0.000 0.237 30 D C 0.823 177.089 176.300 -0.057 0.000 1.190 30 D CA -0.098 53.879 54.000 -0.040 0.000 0.867 30 D CB 1.280 42.062 40.800 -0.029 0.000 1.050 30 D HN 0.499 nan 8.370 nan 0.000 0.491 31 E N 0.987 121.138 120.200 -0.080 0.000 2.472 31 E HA 0.241 4.591 4.350 -0.000 0.000 0.196 31 E C 1.188 177.738 176.600 -0.083 0.000 1.033 31 E CA -0.083 56.262 56.400 -0.091 0.000 0.886 31 E CB 0.547 30.190 29.700 -0.095 0.000 0.944 31 E HN 0.605 nan 8.360 nan 0.000 0.492 32 G N 1.531 110.278 108.800 -0.088 0.000 2.207 32 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.216 32 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.216 32 G C 0.615 175.476 174.900 -0.064 0.000 1.053 32 G CA 0.340 45.404 45.100 -0.060 0.000 0.764 32 G HN 0.224 nan 8.290 nan 0.000 0.495 33 K N -0.067 120.270 120.400 -0.105 0.000 2.026 33 K HA 0.020 4.340 4.320 -0.000 0.000 0.208 33 K C 2.830 179.435 176.600 0.009 0.000 1.048 33 K CA 1.228 57.474 56.287 -0.069 0.000 0.929 33 K CB -0.296 32.162 32.500 -0.070 0.000 0.713 33 K HN 0.484 nan 8.250 nan 0.000 0.439 34 G N 2.765 111.607 108.800 0.070 0.000 2.556 34 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.220 34 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.220 34 G C 1.467 176.430 174.900 0.105 0.000 1.156 34 G CA 1.399 46.629 45.100 0.216 0.000 0.766 34 G HN 0.316 nan 8.290 nan 0.000 0.583 35 K N -0.213 120.233 120.400 0.076 0.000 2.044 35 K HA -0.137 4.183 4.320 -0.000 0.000 0.210 35 K C 2.474 179.098 176.600 0.040 0.000 1.049 35 K CA 1.630 57.964 56.287 0.079 0.000 0.927 35 K CB -0.330 32.214 32.500 0.073 0.000 0.713 35 K HN 0.281 nan 8.250 nan 0.000 0.443 36 L N 1.233 122.447 121.223 -0.016 0.000 2.046 36 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 36 L C 2.147 178.979 176.870 -0.062 0.000 1.077 36 L CA 1.384 56.173 54.840 -0.086 0.000 0.747 36 L CB -0.416 41.541 42.059 -0.170 0.000 0.896 36 L HN 0.039 nan 8.230 nan 0.000 0.432 37 V N -0.061 119.835 119.914 -0.030 0.000 2.392 37 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 37 V C 2.325 178.430 176.094 0.018 0.000 1.059 37 V CA 1.945 64.227 62.300 -0.029 0.000 1.051 37 V CB -0.918 30.899 31.823 -0.009 0.000 0.658 37 V HN 0.596 nan 8.190 nan 0.000 0.455 38 D N 0.021 120.461 120.400 0.067 0.000 2.144 38 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 38 D C 1.929 178.329 176.300 0.166 0.000 0.978 38 D CA 1.307 55.398 54.000 0.151 0.000 0.833 38 D CB 0.007 40.894 40.800 0.145 0.000 0.961 38 D HN 0.237 nan 8.370 nan 0.000 0.470 39 V N 0.411 120.384 119.914 0.098 0.000 2.379 39 V HA -0.136 3.984 4.120 -0.000 0.000 0.245 39 V C 2.411 178.542 176.094 0.061 0.000 1.044 39 V CA 1.170 63.529 62.300 0.098 0.000 1.036 39 V CB -0.418 31.463 31.823 0.097 0.000 0.664 39 V HN 0.327 nan 8.190 nan 0.000 0.453 40 L N 0.013 121.262 121.223 0.044 0.000 2.418 40 L HA 0.108 4.448 4.340 -0.000 0.000 0.218 40 L C 2.665 179.625 176.870 0.150 0.000 1.125 40 L CA 0.771 55.675 54.840 0.107 0.000 0.835 40 L CB -0.833 41.287 42.059 0.101 0.000 0.953 40 L HN 0.304 nan 8.230 nan 0.000 0.454 41 A N 1.815 124.640 122.820 0.009 0.000 1.892 41 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 41 A C 0.088 177.595 177.584 -0.129 0.000 1.188 41 A CA 1.865 53.882 52.037 -0.034 0.000 0.631 41 A CB -1.848 17.122 19.000 -0.049 0.000 0.822 41 A HN 0.308 nan 8.150 nan 0.000 0.447 42 P HA -0.148 nan 4.420 nan 0.000 0.226 42 P C 1.076 178.306 177.300 -0.117 0.000 1.146 42 P CA 1.255 64.163 63.100 -0.320 0.000 0.773 42 P CB -0.105 31.378 31.700 -0.362 0.000 0.772 43 R N -1.291 119.167 120.500 -0.070 0.000 2.317 43 R HA 0.249 4.589 4.340 -0.000 0.000 0.208 43 R C 0.116 176.204 176.300 -0.353 0.000 0.914 43 R CA -0.019 55.974 56.100 -0.179 0.000 1.060 43 R CB -0.522 29.658 30.300 -0.201 0.000 1.015 43 R HN 0.041 nan 8.270 nan 0.000 0.498 44 F N -1.397 118.517 119.950 -0.059 0.000 2.538 44 F HA 0.275 4.802 4.527 -0.000 0.000 0.325 44 F C 0.946 176.728 175.800 -0.030 0.000 1.066 44 F CA -0.889 57.089 58.000 -0.037 0.000 0.946 44 F CB 2.077 41.057 39.000 -0.033 0.000 1.199 44 F HN -0.099 nan 8.300 nan 0.000 0.473 45 D N 0.909 121.408 120.400 0.164 0.000 2.249 45 D HA 0.170 4.810 4.640 -0.000 0.000 0.205 45 D C -0.141 176.218 176.300 0.098 0.000 0.962 45 D CA 1.274 55.330 54.000 0.093 0.000 0.860 45 D CB 0.467 41.303 40.800 0.059 0.000 0.955 45 D HN 0.182 nan 8.370 nan 0.000 0.505 46 I N 0.202 120.849 120.570 0.128 0.000 2.722 46 I HA 0.299 4.469 4.170 -0.000 0.000 0.295 46 I C -1.293 174.843 176.117 0.031 0.000 1.161 46 I CA -0.956 60.386 61.300 0.070 0.000 1.032 46 I CB 3.116 41.145 38.000 0.048 0.000 1.244 46 I HN -0.392 nan 8.210 nan 0.000 0.421 47 V N 4.264 124.175 119.914 -0.004 0.000 2.483 47 V HA 0.789 4.909 4.120 -0.000 0.000 0.297 47 V C -0.279 175.787 176.094 -0.047 0.000 1.027 47 V CA -0.428 61.835 62.300 -0.060 0.000 0.855 47 V CB 1.607 33.398 31.823 -0.053 0.000 0.995 47 V HN 0.817 nan 8.190 nan 0.000 0.424 48 A N 4.821 127.604 122.820 -0.061 0.000 2.386 48 A HA 0.832 5.152 4.320 -0.000 0.000 0.311 48 A C -0.477 177.080 177.584 -0.045 0.000 1.068 48 A CA -0.830 51.182 52.037 -0.041 0.000 0.743 48 A CB 1.478 20.463 19.000 -0.025 0.000 1.258 48 A HN 0.783 nan 8.150 nan 0.000 0.429 49 R N 1.657 122.135 120.500 -0.037 0.000 2.229 49 R HA 0.352 4.692 4.340 -0.000 0.000 0.328 49 R C 0.741 177.037 176.300 -0.006 0.000 1.009 49 R CA 0.038 56.120 56.100 -0.029 0.000 0.864 49 R CB 0.531 30.807 30.300 -0.040 0.000 1.085 49 R HN 0.969 nan 8.270 nan 0.000 0.453 50 C N 2.379 121.682 119.300 0.005 0.000 2.674 50 C HA 0.320 4.780 4.460 -0.000 0.000 0.276 50 C C 0.357 175.370 174.990 0.038 0.000 1.300 50 C CA -0.309 58.719 59.018 0.017 0.000 1.732 50 C CB 0.035 27.780 27.740 0.009 0.000 2.076 50 C HN 0.601 nan 8.230 nan 0.000 0.548 51 Q N 0.282 120.112 119.800 0.049 0.000 2.683 51 Q HA 0.573 4.913 4.340 -0.000 0.000 0.302 51 Q C 0.242 176.309 176.000 0.111 0.000 1.042 51 Q CA 0.607 56.459 55.803 0.081 0.000 0.773 51 Q CB 1.260 30.022 28.738 0.040 0.000 1.508 51 Q HN 0.754 nan 8.270 nan 0.000 0.459 52 G N -0.586 108.321 108.800 0.180 0.000 2.804 52 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.230 52 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.230 52 G C -0.026 174.957 174.900 0.139 0.000 1.386 52 G CA -0.218 44.996 45.100 0.190 0.000 0.875 52 G HN 0.855 nan 8.290 nan 0.000 0.557 53 G N -2.508 106.359 108.800 0.111 0.000 3.217 53 G HA2 0.786 4.745 3.960 -0.000 0.000 0.213 53 G HA3 0.786 4.745 3.960 -0.000 0.000 0.213 53 G C 1.116 176.065 174.900 0.082 0.000 1.294 53 G CA 0.841 45.975 45.100 0.056 0.000 0.987 53 G HN 1.985 nan 8.290 nan 0.000 0.584 54 A N -0.457 122.408 122.820 0.074 0.000 2.239 54 A HA 0.024 4.344 4.320 -0.000 0.000 0.209 54 A C 1.891 179.542 177.584 0.112 0.000 1.171 54 A CA 1.570 53.674 52.037 0.111 0.000 0.768 54 A CB -0.990 18.048 19.000 0.063 0.000 0.790 54 A HN 0.751 nan 8.150 nan 0.000 0.478 55 N N 0.736 119.488 118.700 0.086 0.000 2.272 55 N HA -0.016 4.724 4.740 -0.000 0.000 0.185 55 N C 1.163 176.751 175.510 0.130 0.000 1.014 55 N CA 1.327 54.428 53.050 0.085 0.000 0.870 55 N CB -0.351 38.179 38.487 0.072 0.000 0.975 55 N HN 0.408 nan 8.380 nan 0.000 0.433 56 A N 0.178 123.097 122.820 0.165 0.000 3.188 56 A HA 0.579 4.899 4.320 -0.000 0.000 0.158 56 A C 0.946 178.670 177.584 0.234 0.000 1.832 56 A CA 0.377 52.524 52.037 0.183 0.000 1.046 56 A CB -0.929 18.208 19.000 0.228 0.000 1.770 56 A HN 0.868 nan 8.150 nan 0.000 0.817 57 G N -1.371 107.590 108.800 0.269 0.000 2.258 57 G HA2 0.274 4.234 3.960 -0.000 0.000 0.182 57 G HA3 0.274 4.234 3.960 -0.000 0.000 0.182 57 G C -0.823 174.161 174.900 0.141 0.000 1.790 57 G CA -0.559 44.653 45.100 0.186 0.000 1.128 57 G HN 0.805 nan 8.290 nan 0.000 0.606 58 H N 1.255 120.295 119.070 -0.050 0.000 2.580 58 H HA 0.485 5.041 4.556 -0.000 0.000 0.322 58 H C -0.213 175.089 175.328 -0.042 0.000 1.082 58 H CA 0.012 56.042 56.048 -0.030 0.000 1.383 58 H CB 1.620 31.365 29.762 -0.029 0.000 1.450 58 H HN 0.243 nan 8.280 nan 0.000 0.505 59 T N 5.658 120.260 114.554 0.081 0.000 2.756 59 T HA 0.390 4.740 4.350 -0.000 0.000 0.290 59 T C 0.447 175.196 174.700 0.082 0.000 0.985 59 T CA -0.643 61.482 62.100 0.042 0.000 0.955 59 T CB 0.148 69.049 68.868 0.055 0.000 0.930 59 T HN 0.482 nan 8.240 nan 0.000 0.451 60 I N -0.056 120.531 120.570 0.028 0.000 2.934 60 I HA 0.751 4.921 4.170 -0.000 0.000 0.306 60 I C -1.701 174.432 176.117 0.025 0.000 1.110 60 I CA -1.590 59.781 61.300 0.119 0.000 1.019 60 I CB 2.194 40.256 38.000 0.104 0.000 1.227 60 I HN 0.449 nan 8.210 nan 0.000 0.434 61 Y N 2.364 122.762 120.300 0.163 0.000 2.425 61 Y HA 0.382 4.932 4.550 -0.000 0.000 0.344 61 Y C 0.207 176.209 175.900 0.171 0.000 0.969 61 Y CA -0.780 57.430 58.100 0.184 0.000 1.052 61 Y CB 1.733 40.258 38.460 0.109 0.000 1.215 61 Y HN 0.779 nan 8.280 nan 0.000 0.451 62 N N -0.518 118.387 118.700 0.342 0.000 2.332 62 N HA 0.108 4.848 4.740 -0.000 0.000 0.285 62 N C 0.729 176.348 175.510 0.180 0.000 1.292 62 N CA 0.057 53.236 53.050 0.214 0.000 0.947 62 N CB -0.165 38.451 38.487 0.216 0.000 1.084 62 N HN 0.471 nan 8.380 nan 0.000 0.529 63 S N -0.789 114.988 115.700 0.129 0.000 2.355 63 S HA -0.087 4.383 4.470 -0.000 0.000 0.222 63 S C 1.269 175.930 174.600 0.102 0.000 1.031 63 S CA 1.159 59.423 58.200 0.106 0.000 0.993 63 S CB -0.452 62.797 63.200 0.083 0.000 0.859 63 S HN 0.594 nan 8.310 nan 0.000 0.453 64 E N 0.449 120.712 120.200 0.105 0.000 2.478 64 E HA 0.198 4.548 4.350 -0.000 0.000 0.198 64 E C 1.241 177.902 176.600 0.101 0.000 1.046 64 E CA 0.495 56.948 56.400 0.088 0.000 0.870 64 E CB -0.411 29.334 29.700 0.076 0.000 0.818 64 E HN 0.534 nan 8.360 nan 0.000 0.527 65 G N 1.143 110.033 108.800 0.150 0.000 2.132 65 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.228 65 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.228 65 G C 0.119 175.177 174.900 0.265 0.000 1.000 65 G CA 0.204 45.425 45.100 0.200 0.000 0.693 65 G HN 0.249 nan 8.290 nan 0.000 0.515 66 K N 0.710 121.215 120.400 0.173 0.000 2.276 66 K HA 0.391 4.711 4.320 -0.000 0.000 0.283 66 K C 0.683 177.149 176.600 -0.224 0.000 1.044 66 K CA -0.583 55.685 56.287 -0.033 0.000 0.944 66 K CB 0.411 32.836 32.500 -0.125 0.000 1.012 66 K HN 0.192 nan 8.250 nan 0.000 0.472 67 K N 4.336 124.484 120.400 -0.422 0.000 2.298 67 K HA 0.140 4.460 4.320 -0.000 0.000 0.280 67 K C -1.340 174.796 176.600 -0.773 0.000 1.032 67 K CA -0.111 55.715 56.287 -0.770 0.000 0.958 67 K CB 0.408 32.614 32.500 -0.490 0.000 0.978 67 K HN 0.409 nan 8.250 nan 0.000 0.472 68 F N 1.606 121.306 119.950 -0.417 0.000 2.547 68 F HA 0.414 4.941 4.527 -0.000 0.000 0.316 68 F C -0.249 175.415 175.800 -0.226 0.000 1.121 68 F CA -0.828 57.025 58.000 -0.244 0.000 0.911 68 F CB 2.299 41.186 39.000 -0.188 0.000 1.179 68 F HN 0.535 nan 8.300 nan 0.000 0.443 69 A N 4.763 127.574 122.820 -0.016 0.000 2.360 69 A HA 0.723 5.043 4.320 -0.000 0.000 0.309 69 A C -1.229 176.185 177.584 -0.284 0.000 1.311 69 A CA -0.476 51.489 52.037 -0.120 0.000 0.805 69 A CB 0.147 19.079 19.000 -0.112 0.000 1.144 69 A HN 0.556 nan 8.150 nan 0.000 0.486 70 L N 1.811 122.892 121.223 -0.236 0.000 2.421 70 L HA 0.482 4.822 4.340 -0.000 0.000 0.263 70 L C 1.260 177.859 176.870 -0.451 0.000 1.122 70 L CA 0.273 54.934 54.840 -0.297 0.000 0.804 70 L CB 0.233 42.191 42.059 -0.167 0.000 1.150 70 L HN 0.758 nan 8.230 nan 0.000 0.457 71 H N 0.601 119.673 119.070 0.004 0.000 2.027 71 H HA 0.284 4.840 4.556 -0.000 0.000 0.209 71 H C 1.354 176.684 175.328 0.003 0.000 0.903 71 H CA 0.374 56.442 56.048 0.033 0.000 1.078 71 H CB 0.637 30.417 29.762 0.031 0.000 1.248 71 H HN 0.362 nan 8.280 nan 0.000 0.432 72 L N 1.208 122.505 121.223 0.122 0.000 2.362 72 L HA 0.151 4.491 4.340 -0.000 0.000 0.204 72 L C 0.292 177.153 176.870 -0.015 0.000 1.060 72 L CA 0.199 55.075 54.840 0.059 0.000 0.827 72 L CB 0.702 42.832 42.059 0.118 0.000 1.027 72 L HN -0.100 nan 8.230 nan 0.000 0.474 73 V N 1.934 121.827 119.914 -0.035 0.000 2.599 73 V HA 0.026 4.146 4.120 -0.000 0.000 0.300 73 V C -2.037 173.974 176.094 -0.139 0.000 1.034 73 V CA -0.943 61.312 62.300 -0.075 0.000 1.115 73 V CB 0.053 31.813 31.823 -0.105 0.000 0.934 73 V HN 0.075 nan 8.190 nan 0.000 0.485 74 P HA 0.140 nan 4.420 nan 0.000 0.269 74 P C 0.649 177.864 177.300 -0.143 0.000 1.215 74 P CA 0.024 63.029 63.100 -0.160 0.000 0.780 74 P CB 0.529 32.172 31.700 -0.095 0.000 0.898 75 S N 1.227 116.841 115.700 -0.144 0.000 2.507 75 S HA -0.055 4.415 4.470 -0.000 0.000 0.235 75 S C 1.918 176.507 174.600 -0.019 0.000 0.988 75 S CA 1.215 59.370 58.200 -0.076 0.000 0.944 75 S CB -0.857 62.337 63.200 -0.009 0.000 0.762 75 S HN 0.737 nan 8.310 nan 0.000 0.526 76 G N 0.813 109.615 108.800 0.003 0.000 2.848 76 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.208 76 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.208 76 G C 1.094 176.044 174.900 0.084 0.000 1.152 76 G CA -0.145 45.018 45.100 0.104 0.000 0.789 76 G HN 0.483 nan 8.290 nan 0.000 0.531 77 I N 0.540 121.089 120.570 -0.035 0.000 2.700 77 I HA -0.021 4.149 4.170 -0.000 0.000 0.261 77 I C 2.023 178.039 176.117 -0.169 0.000 1.219 77 I CA 0.742 61.990 61.300 -0.087 0.000 1.463 77 I CB 0.059 37.983 38.000 -0.126 0.000 1.092 77 I HN 0.124 nan 8.210 nan 0.000 0.452 78 L N 0.266 121.326 121.223 -0.271 0.000 2.599 78 L HA 0.052 4.392 4.340 -0.000 0.000 0.230 78 L C 0.085 176.622 176.870 -0.555 0.000 1.141 78 L CA 0.015 54.571 54.840 -0.474 0.000 0.877 78 L CB -0.683 41.011 42.059 -0.610 0.000 1.009 78 L HN 0.192 nan 8.230 nan 0.000 0.447 79 H N -0.091 118.944 119.070 -0.058 0.000 2.505 79 H HA 0.201 4.757 4.556 -0.000 0.000 0.338 79 H C 0.295 175.616 175.328 -0.012 0.000 1.057 79 H CA -0.609 55.426 56.048 -0.022 0.000 1.202 79 H CB 1.987 31.749 29.762 -0.000 0.000 1.466 79 H HN -0.034 nan 8.280 nan 0.000 0.499 80 E N 2.911 123.160 120.200 0.081 0.000 2.049 80 E HA -0.114 4.236 4.350 -0.000 0.000 0.198 80 E C 1.868 178.504 176.600 0.059 0.000 1.007 80 E CA 1.259 57.690 56.400 0.052 0.000 0.809 80 E CB -0.385 29.338 29.700 0.038 0.000 0.749 80 E HN 0.865 nan 8.360 nan 0.000 0.450 81 G N 0.903 109.744 108.800 0.068 0.000 3.155 81 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.213 81 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.213 81 G C 0.019 174.953 174.900 0.058 0.000 1.196 81 G CA 0.132 45.263 45.100 0.052 0.000 0.846 81 G HN 0.032 nan 8.290 nan 0.000 0.516 82 T N 0.522 115.122 114.554 0.076 0.000 2.807 82 T HA 0.452 4.802 4.350 -0.000 0.000 0.279 82 T C -1.035 173.703 174.700 0.064 0.000 0.993 82 T CA -0.492 61.654 62.100 0.077 0.000 0.970 82 T CB 2.381 71.312 68.868 0.105 0.000 0.950 82 T HN 0.030 nan 8.240 nan 0.000 0.441 83 L N 3.579 124.836 121.223 0.057 0.000 2.272 83 L HA 0.569 4.909 4.340 -0.000 0.000 0.289 83 L C -0.636 176.260 176.870 0.044 0.000 1.032 83 L CA -0.587 54.284 54.840 0.052 0.000 0.810 83 L CB 0.154 42.242 42.059 0.048 0.000 1.205 83 L HN 0.749 nan 8.230 nan 0.000 0.422 84 C N 4.402 123.727 119.300 0.043 0.000 2.452 84 C HA 0.727 5.187 4.460 -0.000 0.000 0.379 84 C C 0.062 175.072 174.990 0.033 0.000 1.275 84 C CA -0.668 58.365 59.018 0.025 0.000 2.056 84 C CB 0.750 28.497 27.740 0.011 0.000 2.506 84 C HN 0.631 nan 8.230 nan 0.000 0.560 85 V N 3.891 123.813 119.914 0.014 0.000 2.638 85 V HA 0.406 4.526 4.120 -0.000 0.000 0.306 85 V C -0.453 175.640 176.094 -0.001 0.000 1.052 85 V CA -0.485 61.824 62.300 0.016 0.000 0.885 85 V CB 1.910 33.741 31.823 0.014 0.000 0.999 85 V HN 0.631 nan 8.190 nan 0.000 0.424 86 V N 4.207 124.118 119.914 -0.005 0.000 2.277 86 V HA 0.511 4.631 4.120 -0.000 0.000 0.269 86 V C 1.084 177.167 176.094 -0.018 0.000 1.036 86 V CA -0.187 62.099 62.300 -0.022 0.000 0.821 86 V CB 0.902 32.692 31.823 -0.054 0.000 1.052 86 V HN 1.006 nan 8.190 nan 0.000 0.462 87 G N 3.676 112.473 108.800 -0.004 0.000 2.750 87 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.250 87 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.250 87 G C 1.026 175.935 174.900 0.016 0.000 1.230 87 G CA 0.080 45.185 45.100 0.008 0.000 0.883 87 G HN 0.770 nan 8.290 nan 0.000 0.573 88 N N 0.006 118.725 118.700 0.031 0.000 2.453 88 N HA -0.085 4.655 4.740 -0.000 0.000 0.183 88 N C 1.875 177.433 175.510 0.080 0.000 1.041 88 N CA 1.074 54.155 53.050 0.052 0.000 0.900 88 N CB -0.156 38.365 38.487 0.058 0.000 0.961 88 N HN 0.514 nan 8.380 nan 0.000 0.443 89 G N 0.327 109.170 108.800 0.071 0.000 2.572 89 G HA2 0.219 4.179 3.960 -0.000 0.000 0.216 89 G HA3 0.219 4.179 3.960 -0.000 0.000 0.216 89 G C 0.790 175.775 174.900 0.142 0.000 1.133 89 G CA 0.465 45.628 45.100 0.104 0.000 0.791 89 G HN 0.608 nan 8.290 nan 0.000 0.538 90 A N -0.276 122.591 122.820 0.078 0.000 2.310 90 A HA 0.603 4.923 4.320 -0.000 0.000 0.260 90 A C -0.042 177.518 177.584 -0.041 0.000 1.112 90 A CA 0.323 52.389 52.037 0.048 0.000 0.804 90 A CB 0.570 19.573 19.000 0.005 0.000 1.081 90 A HN 1.008 nan 8.150 nan 0.000 0.499 91 V N -1.653 118.197 119.914 -0.107 0.000 2.577 91 V HA 0.681 4.801 4.120 -0.000 0.000 0.303 91 V C -0.721 175.280 176.094 -0.155 0.000 1.042 91 V CA -0.451 61.719 62.300 -0.217 0.000 0.872 91 V CB 1.086 32.649 31.823 -0.435 0.000 0.998 91 V HN 0.622 nan 8.190 nan 0.000 0.423 92 I N 4.362 124.827 120.570 -0.176 0.000 2.355 92 I HA 0.387 4.557 4.170 -0.000 0.000 0.288 92 I C -0.478 175.558 176.117 -0.135 0.000 0.999 92 I CA -0.554 60.637 61.300 -0.182 0.000 1.163 92 I CB 1.391 39.207 38.000 -0.308 0.000 1.316 92 I HN 0.828 nan 8.210 nan 0.000 0.454 93 H N 7.037 126.009 119.070 -0.163 0.000 2.882 93 H HA 0.221 4.777 4.556 -0.000 0.000 0.258 93 H C 0.710 175.962 175.328 -0.126 0.000 1.579 93 H CA -0.434 55.550 56.048 -0.106 0.000 1.340 93 H CB 0.336 30.069 29.762 -0.048 0.000 1.645 93 H HN 0.468 nan 8.280 nan 0.000 0.541 94 V N 5.773 125.498 119.914 -0.315 0.000 2.311 94 V HA -0.276 3.844 4.120 -0.000 0.000 0.256 94 V C -0.605 175.059 176.094 -0.716 0.000 1.077 94 V CA 2.229 64.207 62.300 -0.537 0.000 1.067 94 V CB -1.334 30.234 31.823 -0.425 0.000 0.659 94 V HN 0.594 nan 8.190 nan 0.000 0.451 95 P HA -0.088 nan 4.420 nan 0.000 0.215 95 P C 1.770 178.871 177.300 -0.332 0.000 1.157 95 P CA 1.922 64.706 63.100 -0.527 0.000 0.863 95 P CB -0.381 31.123 31.700 -0.327 0.000 0.787 96 G N -1.158 107.378 108.800 -0.441 0.000 2.422 96 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 96 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 96 G C 1.396 176.238 174.900 -0.097 0.000 1.140 96 G CA 0.244 45.277 45.100 -0.112 0.000 0.775 96 G HN 0.192 nan 8.290 nan 0.000 0.545 97 F N 0.931 120.681 119.950 -0.333 0.000 2.046 97 F HA 0.011 4.538 4.527 -0.000 0.000 0.297 97 F C 2.330 177.923 175.800 -0.345 0.000 1.123 97 F CA 1.491 59.259 58.000 -0.387 0.000 1.199 97 F CB -0.369 38.266 39.000 -0.609 0.000 0.972 97 F HN 0.139 nan 8.300 nan 0.000 0.474 98 F N 0.560 120.369 119.950 -0.234 0.000 2.216 98 F HA -0.096 4.431 4.527 -0.000 0.000 0.300 98 F C 2.644 178.303 175.800 -0.234 0.000 1.085 98 F CA 0.828 58.654 58.000 -0.288 0.000 1.326 98 F CB -1.040 37.864 39.000 -0.161 0.000 1.027 98 F HN 0.145 nan 8.300 nan 0.000 0.497 99 G N -0.620 108.181 108.800 0.002 0.000 2.432 99 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 99 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 99 G C 1.430 176.305 174.900 -0.041 0.000 1.135 99 G CA 0.799 45.899 45.100 -0.001 0.000 0.767 99 G HN 0.391 nan 8.290 nan 0.000 0.550 100 E N -0.085 120.048 120.200 -0.112 0.000 2.107 100 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 100 E C 2.424 178.919 176.600 -0.174 0.000 0.982 100 E CA 0.412 56.753 56.400 -0.100 0.000 0.809 100 E CB -0.030 29.606 29.700 -0.107 0.000 0.756 100 E HN 0.301 nan 8.360 nan 0.000 0.459 101 I N 2.084 122.464 120.570 -0.316 0.000 2.202 101 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 101 I C 1.856 177.923 176.117 -0.083 0.000 1.091 101 I CA 1.278 62.417 61.300 -0.267 0.000 1.368 101 I CB -1.181 36.620 38.000 -0.331 0.000 1.058 101 I HN 0.160 nan 8.210 nan 0.000 0.410 102 D N 1.030 121.408 120.400 -0.036 0.000 2.149 102 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 102 D C 2.212 178.516 176.300 0.005 0.000 0.990 102 D CA 1.589 55.591 54.000 0.003 0.000 0.839 102 D CB -0.351 40.459 40.800 0.017 0.000 0.948 102 D HN 0.395 nan 8.370 nan 0.000 0.460 103 G N 0.050 108.850 108.800 0.000 0.000 2.471 103 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.219 103 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.219 103 G C 1.583 176.505 174.900 0.036 0.000 1.125 103 G CA 0.182 45.293 45.100 0.018 0.000 0.775 103 G HN 0.163 nan 8.290 nan 0.000 0.548 104 L N -0.191 121.045 121.223 0.021 0.000 2.202 104 L HA 0.152 4.492 4.340 -0.000 0.000 0.205 104 L C 2.812 179.708 176.870 0.044 0.000 1.083 104 L CA 0.858 55.725 54.840 0.045 0.000 0.790 104 L CB -0.277 41.773 42.059 -0.014 0.000 0.942 104 L HN 0.093 nan 8.230 nan 0.000 0.452 105 Q N -0.640 119.175 119.800 0.025 0.000 2.167 105 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 105 Q C 2.329 178.350 176.000 0.034 0.000 0.970 105 Q CA 1.630 57.451 55.803 0.031 0.000 0.855 105 Q CB -0.351 28.407 28.738 0.032 0.000 0.911 105 Q HN 0.652 nan 8.270 nan 0.000 0.438 106 S N 0.006 115.725 115.700 0.033 0.000 2.461 106 S HA -0.013 4.457 4.470 -0.000 0.000 0.228 106 S C 1.177 175.799 174.600 0.036 0.000 1.005 106 S CA 0.443 58.660 58.200 0.028 0.000 0.942 106 S CB -0.198 63.014 63.200 0.020 0.000 0.776 106 S HN 0.326 nan 8.310 nan 0.000 0.514 107 N N 1.187 119.923 118.700 0.060 0.000 2.389 107 N HA 0.282 5.022 4.740 -0.000 0.000 0.237 107 N C 0.816 176.391 175.510 0.107 0.000 1.148 107 N CA 0.216 53.317 53.050 0.086 0.000 0.854 107 N CB 0.195 38.766 38.487 0.140 0.000 1.115 107 N HN 0.632 nan 8.380 nan 0.000 0.492 108 G N 0.339 109.178 108.800 0.066 0.000 2.196 108 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.268 108 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.268 108 G C 0.180 175.105 174.900 0.042 0.000 0.975 108 G CA 0.153 45.285 45.100 0.052 0.000 0.648 108 G HN 0.233 nan 8.290 nan 0.000 0.538 109 V N 2.445 122.385 119.914 0.043 0.000 2.334 109 V HA 0.547 4.667 4.120 -0.000 0.000 0.267 109 V C 1.002 177.100 176.094 0.006 0.000 1.040 109 V CA -0.143 62.157 62.300 -0.001 0.000 0.866 109 V CB 1.026 32.818 31.823 -0.052 0.000 1.019 109 V HN 0.788 nan 8.190 nan 0.000 0.468 110 S N 3.351 119.058 115.700 0.010 0.000 2.592 110 S HA 0.220 4.690 4.470 -0.000 0.000 0.271 110 S C 0.559 175.184 174.600 0.041 0.000 1.326 110 S CA -0.516 57.702 58.200 0.030 0.000 1.024 110 S CB 1.146 64.363 63.200 0.029 0.000 0.921 110 S HN 0.725 nan 8.310 nan 0.000 0.527 111 C N -0.096 119.257 119.300 0.087 0.000 3.757 111 C HA 0.313 4.773 4.460 -0.000 0.000 0.358 111 C C 0.185 175.319 174.990 0.239 0.000 1.484 111 C CA -0.587 58.518 59.018 0.146 0.000 1.862 111 C CB -0.779 27.046 27.740 0.142 0.000 2.654 111 C HN 0.817 nan 8.230 nan 0.000 0.699 112 D N 1.816 122.310 120.400 0.157 0.000 2.451 112 D HA 0.307 4.947 4.640 -0.000 0.000 0.254 112 D C 1.241 177.556 176.300 0.025 0.000 1.204 112 D CA 1.794 55.825 54.000 0.052 0.000 0.896 112 D CB 0.428 41.228 40.800 0.000 0.000 1.136 112 D HN 0.646 nan 8.370 nan 0.000 0.499 113 G N 3.359 112.154 108.800 -0.009 0.000 2.143 113 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.248 113 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.248 113 G C 0.938 175.877 174.900 0.065 0.000 0.991 113 G CA -0.053 45.053 45.100 0.010 0.000 0.689 113 G HN 0.577 nan 8.290 nan 0.000 0.522 114 R N -0.938 119.633 120.500 0.120 0.000 2.535 114 R HA 0.453 4.793 4.340 -0.000 0.000 0.323 114 R C 0.239 176.619 176.300 0.134 0.000 0.979 114 R CA 0.041 56.204 56.100 0.105 0.000 1.120 114 R CB 0.807 31.152 30.300 0.076 0.000 1.306 114 R HN 0.437 nan 8.270 nan 0.000 0.540 115 I N 1.664 122.370 120.570 0.226 0.000 2.534 115 I HA 0.316 4.486 4.170 -0.000 0.000 0.288 115 I C -0.802 175.491 176.117 0.293 0.000 1.077 115 I CA -0.694 60.744 61.300 0.230 0.000 1.051 115 I CB 2.417 40.547 38.000 0.216 0.000 1.234 115 I HN -0.179 nan 8.210 nan 0.000 0.425 116 L N 6.285 127.607 121.223 0.165 0.000 2.325 116 L HA 0.634 4.974 4.340 -0.000 0.000 0.278 116 L C -0.709 176.206 176.870 0.075 0.000 1.023 116 L CA -1.038 53.885 54.840 0.138 0.000 0.811 116 L CB 2.239 44.349 42.059 0.084 0.000 1.249 116 L HN 0.253 nan 8.230 nan 0.000 0.431 117 V N 1.798 121.743 119.914 0.052 0.000 2.376 117 V HA 0.146 4.266 4.120 -0.000 0.000 0.287 117 V C 0.345 176.418 176.094 -0.035 0.000 1.015 117 V CA -0.470 61.793 62.300 -0.060 0.000 0.834 117 V CB 1.641 33.350 31.823 -0.191 0.000 1.001 117 V HN 0.840 nan 8.190 nan 0.000 0.428 118 S N 3.451 119.129 115.700 -0.035 0.000 2.596 118 S HA -0.048 4.422 4.470 -0.000 0.000 0.298 118 S C 1.445 176.033 174.600 -0.021 0.000 1.255 118 S CA 0.090 58.283 58.200 -0.012 0.000 1.083 118 S CB 0.223 63.420 63.200 -0.004 0.000 0.837 118 S HN 0.920 nan 8.310 nan 0.000 0.499 119 D N 5.282 125.683 120.400 0.002 0.000 2.264 119 D HA -0.151 4.489 4.640 -0.000 0.000 0.208 119 D C 1.209 177.502 176.300 -0.011 0.000 0.966 119 D CA 0.947 54.947 54.000 0.001 0.000 0.864 119 D CB -0.098 40.716 40.800 0.023 0.000 0.933 119 D HN 0.639 nan 8.370 nan 0.000 0.499 120 R N 0.313 120.812 120.500 -0.003 0.000 2.317 120 R HA 0.350 4.690 4.340 -0.000 0.000 0.208 120 R C 0.620 176.922 176.300 0.003 0.000 0.914 120 R CA 0.049 56.146 56.100 -0.005 0.000 1.060 120 R CB 0.420 30.738 30.300 0.030 0.000 1.015 120 R HN 0.093 nan 8.270 nan 0.000 0.498 121 A N 1.322 124.136 122.820 -0.010 0.000 2.401 121 A HA 0.193 4.513 4.320 -0.000 0.000 0.259 121 A C -0.604 176.962 177.584 -0.031 0.000 1.103 121 A CA -0.367 51.679 52.037 0.015 0.000 0.789 121 A CB 0.129 19.105 19.000 -0.040 0.000 1.035 121 A HN 0.215 nan 8.150 nan 0.000 0.491 122 H N 0.317 119.318 119.070 -0.114 0.000 2.671 122 H HA 0.437 4.993 4.556 -0.000 0.000 0.372 122 H C -0.136 175.072 175.328 -0.200 0.000 1.227 122 H CA 0.156 56.122 56.048 -0.137 0.000 1.426 122 H CB 0.392 30.051 29.762 -0.172 0.000 1.480 122 H HN 0.526 nan 8.280 nan 0.000 0.611 123 L N 2.135 123.289 121.223 -0.114 0.000 2.296 123 L HA 0.220 4.560 4.340 -0.000 0.000 0.286 123 L C -0.736 175.872 176.870 -0.438 0.000 1.023 123 L CA -0.942 53.691 54.840 -0.344 0.000 0.812 123 L CB 1.109 42.839 42.059 -0.548 0.000 1.223 123 L HN 0.227 nan 8.230 nan 0.000 0.421 124 L N 4.506 125.500 121.223 -0.382 0.000 2.264 124 L HA 0.500 4.840 4.340 -0.000 0.000 0.287 124 L C -0.728 176.155 176.870 0.021 0.000 1.039 124 L CA 0.153 54.859 54.840 -0.223 0.000 0.829 124 L CB 0.125 42.074 42.059 -0.182 0.000 1.211 124 L HN 0.191 nan 8.230 nan 0.000 0.427 125 F N 2.371 122.617 119.950 0.492 0.000 2.380 125 F HA 0.287 4.814 4.527 -0.000 0.000 0.321 125 F C 1.470 177.479 175.800 0.349 0.000 1.103 125 F CA -0.369 57.905 58.000 0.458 0.000 1.067 125 F CB 0.547 39.716 39.000 0.280 0.000 1.265 125 F HN 0.449 nan 8.300 nan 0.000 0.517 126 D N 0.364 121.120 120.400 0.594 0.000 2.221 126 D HA -0.153 4.487 4.640 -0.000 0.000 0.204 126 D C 2.104 178.527 176.300 0.205 0.000 0.982 126 D CA 0.921 55.138 54.000 0.362 0.000 0.857 126 D CB -0.138 40.901 40.800 0.398 0.000 0.934 126 D HN 0.401 nan 8.370 nan 0.000 0.475 127 L N 0.589 121.905 121.223 0.155 0.000 1.990 127 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 127 L C 1.973 178.738 176.870 -0.175 0.000 1.072 127 L CA 1.952 56.699 54.840 -0.155 0.000 0.755 127 L CB -0.759 40.962 42.059 -0.564 0.000 0.889 127 L HN 0.231 nan 8.230 nan 0.000 0.432 128 H N -0.518 118.537 119.070 -0.025 0.000 2.387 128 H HA -0.179 4.377 4.556 -0.000 0.000 0.299 128 H C 2.257 177.543 175.328 -0.069 0.000 1.099 128 H CA 1.976 57.993 56.048 -0.052 0.000 1.315 128 H CB -0.463 29.289 29.762 -0.017 0.000 1.380 128 H HN 0.685 nan 8.280 nan 0.000 0.513 129 Q N 1.191 121.031 119.800 0.066 0.000 2.020 129 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 129 Q C 2.607 178.594 176.000 -0.021 0.000 0.982 129 Q CA 2.467 58.269 55.803 -0.003 0.000 0.838 129 Q CB -1.586 27.135 28.738 -0.028 0.000 0.899 129 Q HN 0.740 nan 8.270 nan 0.000 0.423 130 T N -2.273 112.272 114.554 -0.014 0.000 2.821 130 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 130 T C 1.969 176.579 174.700 -0.150 0.000 1.046 130 T CA 1.435 63.514 62.100 -0.036 0.000 1.139 130 T CB -0.538 68.359 68.868 0.048 0.000 0.871 130 T HN 0.295 nan 8.240 nan 0.000 0.454 131 V N 2.258 122.053 119.914 -0.199 0.000 2.358 131 V HA -0.132 3.988 4.120 -0.000 0.000 0.246 131 V C 2.654 178.587 176.094 -0.268 0.000 1.047 131 V CA 2.167 64.268 62.300 -0.332 0.000 1.035 131 V CB -0.912 30.783 31.823 -0.213 0.000 0.658 131 V HN 0.516 nan 8.190 nan 0.000 0.452 132 D N 0.534 120.865 120.400 -0.116 0.000 2.104 132 D HA -0.137 4.503 4.640 -0.000 0.000 0.194 132 D C 2.181 178.421 176.300 -0.100 0.000 0.994 132 D CA 1.682 55.642 54.000 -0.066 0.000 0.830 132 D CB -0.472 40.314 40.800 -0.023 0.000 0.959 132 D HN 0.357 nan 8.370 nan 0.000 0.452 133 G N 0.182 108.914 108.800 -0.113 0.000 2.418 133 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 133 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 133 G C 1.795 176.600 174.900 -0.159 0.000 1.158 133 G CA 0.614 45.653 45.100 -0.102 0.000 0.771 133 G HN 0.355 nan 8.290 nan 0.000 0.545 134 L N -0.181 120.860 121.223 -0.304 0.000 2.127 134 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 134 L C 3.185 179.878 176.870 -0.295 0.000 1.089 134 L CA 0.717 55.291 54.840 -0.444 0.000 0.757 134 L CB -0.314 41.120 42.059 -1.042 0.000 0.899 134 L HN 0.084 nan 8.230 nan 0.000 0.434 135 R N 0.197 120.566 120.500 -0.218 0.000 2.083 135 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 135 R C 2.141 178.442 176.300 0.002 0.000 1.137 135 R CA 1.289 57.407 56.100 0.029 0.000 0.951 135 R CB -0.486 29.844 30.300 0.050 0.000 0.851 135 R HN 0.410 nan 8.270 nan 0.000 0.434 136 E N 0.391 120.561 120.200 -0.050 0.000 2.152 136 E HA -0.041 4.309 4.350 -0.000 0.000 0.192 136 E C 1.950 178.490 176.600 -0.100 0.000 0.983 136 E CA 0.966 57.319 56.400 -0.078 0.000 0.818 136 E CB -0.332 29.315 29.700 -0.089 0.000 0.758 136 E HN 0.258 nan 8.360 nan 0.000 0.467 137 A N 2.005 124.779 122.820 -0.075 0.000 1.948 137 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 137 A C 2.034 179.601 177.584 -0.028 0.000 1.177 137 A CA 2.058 54.063 52.037 -0.053 0.000 0.636 137 A CB -0.461 18.520 19.000 -0.033 0.000 0.815 137 A HN 0.446 nan 8.150 nan 0.000 0.449 138 E N -1.052 119.149 120.200 0.001 0.000 2.364 138 E HA 0.279 4.629 4.350 -0.000 0.000 0.196 138 E C 1.111 177.712 176.600 0.003 0.000 0.990 138 E CA -0.331 56.085 56.400 0.026 0.000 0.886 138 E CB -0.381 29.370 29.700 0.084 0.000 0.866 138 E HN 0.543 nan 8.360 nan 0.000 0.493 139 L N 0.922 122.134 121.223 -0.019 0.000 2.425 139 L HA 0.169 4.509 4.340 -0.000 0.000 0.225 139 L C 1.538 178.373 176.870 -0.059 0.000 1.222 139 L CA 0.536 55.356 54.840 -0.034 0.000 0.832 139 L CB 0.348 42.380 42.059 -0.045 0.000 1.238 139 L HN 0.114 nan 8.230 nan 0.000 0.533 140 A N 1.072 123.861 122.820 -0.053 0.000 2.285 140 A HA -0.162 4.158 4.320 -0.000 0.000 0.214 140 A C 0.757 178.276 177.584 -0.107 0.000 1.188 140 A CA 1.311 53.319 52.037 -0.049 0.000 0.707 140 A CB -0.959 18.028 19.000 -0.023 0.000 0.771 140 A HN 0.845 nan 8.150 nan 0.000 0.488 141 N N -0.876 117.704 118.700 -0.199 0.000 2.781 141 N HA -0.129 4.611 4.740 -0.000 0.000 0.267 141 N C -0.149 174.993 175.510 -0.614 0.000 1.172 141 N CA 0.813 53.581 53.050 -0.470 0.000 0.659 141 N CB -1.621 36.559 38.487 -0.511 0.000 0.941 141 N HN 0.748 nan 8.380 nan 0.000 0.563 142 S N 0.560 116.027 115.700 -0.388 0.000 2.568 142 S HA 0.576 5.046 4.470 -0.000 0.000 0.282 142 S C 0.198 174.582 174.600 -0.361 0.000 1.338 142 S CA -0.104 57.959 58.200 -0.228 0.000 1.045 142 S CB 0.807 63.952 63.200 -0.092 0.000 0.873 142 S HN 0.268 nan 8.310 nan 0.000 0.516 143 F N 1.143 121.112 119.950 0.032 0.000 2.556 143 F HA 0.524 5.051 4.527 -0.000 0.000 0.327 143 F C 0.227 176.042 175.800 0.025 0.000 1.059 143 F CA -1.935 56.081 58.000 0.025 0.000 0.953 143 F CB 0.976 39.989 39.000 0.022 0.000 1.227 143 F HN 0.494 nan 8.300 nan 0.000 0.478 144 I N 2.169 123.027 120.570 0.480 0.000 2.999 144 I HA -0.036 4.134 4.170 -0.000 0.000 0.126 144 I C 0.244 176.445 176.117 0.141 0.000 0.912 144 I CA 1.043 62.467 61.300 0.206 0.000 2.775 144 I CB -1.979 36.061 38.000 0.068 0.000 0.783 144 I HN 0.711 nan 8.210 nan 0.000 0.349 145 G N 4.109 112.979 108.800 0.117 0.000 2.046 145 G HA2 0.345 4.305 3.960 -0.000 0.000 0.245 145 G HA3 0.345 4.305 3.960 -0.000 0.000 0.245 145 G C 0.048 174.990 174.900 0.070 0.000 1.723 145 G CA -0.264 44.887 45.100 0.085 0.000 0.909 145 G HN 0.820 nan 8.290 nan 0.000 0.737 146 T N -0.594 113.993 114.554 0.056 0.000 3.609 146 T HA 0.202 4.552 4.350 -0.000 0.000 0.245 146 T C 1.399 176.120 174.700 0.035 0.000 0.980 146 T CA 0.441 62.567 62.100 0.044 0.000 0.940 146 T CB -0.606 68.286 68.868 0.040 0.000 1.105 146 T HN 1.063 nan 8.240 nan 0.000 0.627 147 T N 0.074 114.651 114.554 0.038 0.000 4.492 147 T HA 0.155 4.505 4.350 -0.000 0.000 0.222 147 T C 0.847 175.556 174.700 0.015 0.000 0.836 147 T CA -0.734 61.384 62.100 0.031 0.000 0.900 147 T CB -0.286 68.606 68.868 0.041 0.000 1.399 147 T HN 0.150 nan 8.240 nan 0.000 0.877 148 K N 1.996 122.400 120.400 0.005 0.000 2.706 148 K HA 0.029 4.349 4.320 -0.000 0.000 0.217 148 K C 0.702 177.285 176.600 -0.029 0.000 1.019 148 K CA -0.032 56.248 56.287 -0.011 0.000 1.181 148 K CB -0.239 32.256 32.500 -0.008 0.000 0.940 148 K HN 0.735 nan 8.250 nan 0.000 0.491 149 R N -0.134 120.354 120.500 -0.019 0.000 2.413 149 R HA 0.124 4.464 4.340 -0.000 0.000 0.333 149 R C 0.842 177.127 176.300 -0.026 0.000 1.074 149 R CA 0.112 56.194 56.100 -0.030 0.000 0.982 149 R CB -0.406 29.894 30.300 0.000 0.000 0.981 149 R HN -0.031 nan 8.270 nan 0.000 0.452 150 G N 4.177 112.947 108.800 -0.049 0.000 3.318 150 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.230 150 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.230 150 G C 0.918 175.785 174.900 -0.053 0.000 1.317 150 G CA -0.374 44.717 45.100 -0.014 0.000 1.197 150 G HN 0.589 nan 8.290 nan 0.000 0.514 151 I N 1.703 122.258 120.570 -0.026 0.000 2.142 151 I HA -0.106 4.064 4.170 -0.000 0.000 0.240 151 I C 2.903 179.071 176.117 0.085 0.000 1.078 151 I CA 1.479 62.787 61.300 0.013 0.000 1.343 151 I CB -1.425 36.633 38.000 0.095 0.000 1.046 151 I HN 0.268 nan 8.210 nan 0.000 0.405 152 G N 2.165 111.017 108.800 0.087 0.000 2.586 152 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 152 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 152 G C -0.433 174.520 174.900 0.087 0.000 1.216 152 G CA 0.923 46.081 45.100 0.096 0.000 0.786 152 G HN 0.295 nan 8.290 nan 0.000 0.583 153 P HA -0.070 nan 4.420 nan 0.000 0.218 153 P C 2.136 179.490 177.300 0.090 0.000 1.148 153 P CA 1.083 64.257 63.100 0.123 0.000 0.822 153 P CB -0.126 31.685 31.700 0.185 0.000 0.784 154 C N -1.967 117.214 119.300 -0.199 0.000 2.453 154 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 154 C C 2.392 177.196 174.990 -0.309 0.000 1.262 154 C CA 0.697 59.365 59.018 -0.582 0.000 1.718 154 C CB -2.001 25.273 27.740 -0.777 0.000 2.031 154 C HN 0.153 nan 8.230 nan 0.000 0.480 155 Y N 0.684 120.891 120.300 -0.154 0.000 2.403 155 Y HA -0.085 4.465 4.550 -0.000 0.000 0.291 155 Y C 2.967 178.807 175.900 -0.101 0.000 1.143 155 Y CA 1.722 59.736 58.100 -0.144 0.000 1.257 155 Y CB -0.607 37.788 38.460 -0.108 0.000 0.984 155 Y HN 0.416 nan 8.280 nan 0.000 0.550 156 S N -1.117 114.633 115.700 0.083 0.000 2.357 156 S HA -0.166 4.304 4.470 -0.000 0.000 0.221 156 S C 2.355 176.984 174.600 0.049 0.000 1.031 156 S CA 1.517 59.755 58.200 0.062 0.000 0.982 156 S CB -0.432 62.809 63.200 0.068 0.000 0.853 156 S HN 0.421 nan 8.310 nan 0.000 0.458 157 S N 1.351 117.095 115.700 0.073 0.000 2.383 157 S HA -0.128 4.342 4.470 -0.000 0.000 0.229 157 S C 1.841 176.485 174.600 0.074 0.000 1.030 157 S CA 1.521 59.783 58.200 0.104 0.000 1.002 157 S CB -0.387 62.954 63.200 0.235 0.000 0.829 157 S HN 0.606 nan 8.310 nan 0.000 0.467 158 K N 1.105 121.499 120.400 -0.009 0.000 1.985 158 K HA -0.082 4.238 4.320 -0.000 0.000 0.210 158 K C 1.993 178.575 176.600 -0.029 0.000 1.047 158 K CA 1.455 57.665 56.287 -0.128 0.000 0.932 158 K CB -0.391 31.800 32.500 -0.516 0.000 0.716 158 K HN 0.151 nan 8.250 nan 0.000 0.439 159 V N 1.247 121.151 119.914 -0.018 0.000 2.392 159 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 159 V C 2.110 178.212 176.094 0.013 0.000 1.059 159 V CA 2.322 64.622 62.300 0.001 0.000 1.051 159 V CB -0.530 31.296 31.823 0.005 0.000 0.658 159 V HN 0.522 nan 8.190 nan 0.000 0.455 160 T N -0.998 113.568 114.554 0.021 0.000 3.035 160 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 160 T C 1.202 175.919 174.700 0.029 0.000 1.109 160 T CA 0.756 62.867 62.100 0.020 0.000 1.119 160 T CB -0.171 68.708 68.868 0.019 0.000 0.900 160 T HN 0.545 nan 8.240 nan 0.000 0.503 161 R N 0.452 120.984 120.500 0.052 0.000 3.951 161 R HA -0.155 4.185 4.340 -0.000 0.000 0.352 161 R C 0.355 176.691 176.300 0.060 0.000 1.178 161 R CA 1.027 57.170 56.100 0.072 0.000 0.949 161 R CB -2.074 28.255 30.300 0.048 0.000 1.452 161 R HN 0.550 nan 8.270 nan 0.000 0.540 162 N N 0.089 118.821 118.700 0.054 0.000 2.205 162 N HA 0.067 4.807 4.740 -0.000 0.000 0.201 162 N C 0.660 176.199 175.510 0.048 0.000 1.128 162 N CA 0.682 53.749 53.050 0.029 0.000 0.867 162 N CB 0.432 38.920 38.487 0.001 0.000 0.996 162 N HN 0.282 nan 8.380 nan 0.000 0.503 163 G N 0.342 109.213 108.800 0.118 0.000 2.562 163 G HA2 0.541 4.501 3.960 -0.000 0.000 0.275 163 G HA3 0.541 4.501 3.960 -0.000 0.000 0.275 163 G C -0.630 174.348 174.900 0.130 0.000 1.196 163 G CA -0.467 44.745 45.100 0.187 0.000 0.908 163 G HN 0.144 nan 8.290 nan 0.000 0.524 164 L N -0.363 120.961 121.223 0.168 0.000 2.352 164 L HA 0.623 4.963 4.340 -0.000 0.000 0.269 164 L C 0.872 177.705 176.870 -0.061 0.000 1.034 164 L CA -0.462 54.418 54.840 0.067 0.000 0.806 164 L CB 1.578 43.724 42.059 0.145 0.000 1.244 164 L HN 0.516 nan 8.230 nan 0.000 0.447 165 R N 0.014 120.447 120.500 -0.112 0.000 2.919 165 R HA 0.477 4.817 4.340 -0.000 0.000 0.260 165 R C 0.714 176.997 176.300 -0.029 0.000 1.067 165 R CA -1.015 54.965 56.100 -0.198 0.000 1.003 165 R CB 1.335 31.444 30.300 -0.318 0.000 1.192 165 R HN 0.283 nan 8.270 nan 0.000 0.488 166 V N 0.747 120.631 119.914 -0.051 0.000 2.453 166 V HA -0.318 3.802 4.120 -0.000 0.000 0.252 166 V C 2.420 178.541 176.094 0.045 0.000 1.068 166 V CA 2.270 64.566 62.300 -0.008 0.000 1.070 166 V CB -0.855 30.936 31.823 -0.053 0.000 0.664 166 V HN 1.005 nan 8.190 nan 0.000 0.461 167 C N -0.561 118.765 119.300 0.044 0.000 2.419 167 C HA -0.127 4.333 4.460 -0.000 0.000 0.281 167 C C 2.202 177.289 174.990 0.162 0.000 1.336 167 C CA 0.317 59.386 59.018 0.086 0.000 1.770 167 C CB -1.271 26.519 27.740 0.083 0.000 1.929 167 C HN 0.528 nan 8.230 nan 0.000 0.509 168 D N 1.564 122.080 120.400 0.193 0.000 2.218 168 D HA -0.043 4.597 4.640 -0.000 0.000 0.204 168 D C 2.042 178.552 176.300 0.351 0.000 0.976 168 D CA 1.017 55.204 54.000 0.311 0.000 0.853 168 D CB -0.323 40.671 40.800 0.324 0.000 0.939 168 D HN 0.592 nan 8.370 nan 0.000 0.481 169 L N 0.108 121.464 121.223 0.221 0.000 2.456 169 L HA -0.022 4.318 4.340 -0.000 0.000 0.224 169 L C 2.155 179.019 176.870 -0.009 0.000 1.148 169 L CA 0.572 55.454 54.840 0.070 0.000 0.825 169 L CB -0.122 41.980 42.059 0.071 0.000 0.937 169 L HN -0.125 nan 8.230 nan 0.000 0.450 170 R N -1.100 119.359 120.500 -0.069 0.000 2.297 170 R HA 0.063 4.403 4.340 -0.000 0.000 0.197 170 R C 0.017 175.990 176.300 -0.545 0.000 0.943 170 R CA 0.374 56.295 56.100 -0.299 0.000 1.038 170 R CB 0.206 30.279 30.300 -0.378 0.000 0.957 170 R HN 0.384 nan 8.270 nan 0.000 0.484 171 H N -0.193 118.933 119.070 0.092 0.000 2.380 171 H HA 0.162 4.718 4.556 -0.000 0.000 0.231 171 H C 0.603 176.016 175.328 0.141 0.000 1.415 171 H CA -0.372 55.733 56.048 0.096 0.000 1.433 171 H CB 0.951 30.767 29.762 0.089 0.000 1.544 171 H HN -0.062 nan 8.280 nan 0.000 0.503 172 M N 0.136 119.825 119.600 0.149 0.000 2.446 172 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 172 M C 1.152 177.565 176.300 0.189 0.000 1.066 172 M CA 0.772 56.159 55.300 0.146 0.000 1.087 172 M CB -0.344 32.269 32.600 0.022 0.000 1.406 172 M HN 0.411 nan 8.290 nan 0.000 0.459 173 D N 0.259 120.755 120.400 0.161 0.000 2.087 173 D HA -0.153 4.487 4.640 -0.000 0.000 0.192 173 D C 1.868 178.246 176.300 0.130 0.000 0.993 173 D CA 2.352 56.427 54.000 0.126 0.000 0.828 173 D CB -0.481 40.387 40.800 0.112 0.000 0.968 173 D HN 0.451 nan 8.370 nan 0.000 0.448 174 T N -1.825 112.819 114.554 0.150 0.000 3.067 174 T HA -0.042 4.308 4.350 -0.000 0.000 0.257 174 T C 1.843 176.618 174.700 0.125 0.000 1.105 174 T CA -0.201 61.963 62.100 0.106 0.000 1.104 174 T CB -0.549 68.359 68.868 0.067 0.000 0.925 174 T HN 0.015 nan 8.240 nan 0.000 0.498 175 F N 2.978 122.962 119.950 0.058 0.000 2.154 175 F HA 0.037 4.564 4.527 -0.000 0.000 0.301 175 F C 2.296 178.097 175.800 0.001 0.000 1.087 175 F CA 1.312 59.340 58.000 0.047 0.000 1.274 175 F CB -0.806 38.239 39.000 0.076 0.000 1.009 175 F HN 0.260 nan 8.300 nan 0.000 0.485 176 G N 0.333 109.256 108.800 0.205 0.000 2.511 176 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.216 176 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.216 176 G C 1.000 175.864 174.900 -0.060 0.000 1.218 176 G CA 1.090 46.237 45.100 0.079 0.000 0.788 176 G HN 0.560 nan 8.290 nan 0.000 0.560 177 D N -0.367 120.012 120.400 -0.036 0.000 2.378 177 D HA 0.056 4.696 4.640 -0.000 0.000 0.227 177 D C 1.960 178.199 176.300 -0.103 0.000 1.012 177 D CA 0.654 54.620 54.000 -0.057 0.000 0.905 177 D CB 0.095 40.883 40.800 -0.021 0.000 0.895 177 D HN 0.376 nan 8.370 nan 0.000 0.532 178 K N -0.653 119.648 120.400 -0.166 0.000 2.308 178 K HA 0.129 4.449 4.320 -0.000 0.000 0.197 178 K C 1.494 177.910 176.600 -0.307 0.000 1.049 178 K CA -0.030 56.133 56.287 -0.207 0.000 0.991 178 K CB 0.188 32.559 32.500 -0.215 0.000 0.836 178 K HN 0.064 nan 8.250 nan 0.000 0.500 179 L N 2.363 123.318 121.223 -0.447 0.000 2.127 179 L HA -0.092 4.248 4.340 -0.000 0.000 0.203 179 L C 1.917 178.635 176.870 -0.255 0.000 1.080 179 L CA 1.761 56.304 54.840 -0.495 0.000 0.768 179 L CB -0.315 41.327 42.059 -0.695 0.000 0.924 179 L HN 0.208 nan 8.230 nan 0.000 0.444 180 D N -0.812 119.428 120.400 -0.268 0.000 2.218 180 D HA -0.201 4.439 4.640 -0.000 0.000 0.204 180 D C 2.072 178.255 176.300 -0.194 0.000 0.976 180 D CA 1.408 55.246 54.000 -0.270 0.000 0.853 180 D CB -0.624 40.075 40.800 -0.169 0.000 0.939 180 D HN 0.317 nan 8.370 nan 0.000 0.481 181 V N 1.493 121.320 119.914 -0.144 0.000 2.332 181 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 181 V C 2.539 178.562 176.094 -0.118 0.000 1.055 181 V CA 1.915 64.147 62.300 -0.113 0.000 1.038 181 V CB -0.492 31.276 31.823 -0.091 0.000 0.651 181 V HN 0.453 nan 8.190 nan 0.000 0.450 182 L N -3.993 117.154 121.223 -0.127 0.000 2.492 182 L HA 0.137 4.477 4.340 -0.000 0.000 0.223 182 L C 2.311 179.023 176.870 -0.264 0.000 1.132 182 L CA 1.167 55.901 54.840 -0.175 0.000 0.850 182 L CB -0.851 41.098 42.059 -0.183 0.000 0.966 182 L HN 0.211 nan 8.230 nan 0.000 0.454 183 F N 1.373 121.091 119.950 -0.386 0.000 2.163 183 F HA -0.098 4.429 4.527 -0.000 0.000 0.297 183 F C 2.779 178.345 175.800 -0.391 0.000 1.094 183 F CA 1.738 59.492 58.000 -0.411 0.000 1.290 183 F CB 0.051 38.703 39.000 -0.581 0.000 1.017 183 F HN 0.174 nan 8.300 nan 0.000 0.483 184 E N 0.134 120.184 120.200 -0.249 0.000 2.072 184 E HA -0.261 4.089 4.350 -0.000 0.000 0.191 184 E C 2.044 178.606 176.600 -0.064 0.000 0.985 184 E CA 1.388 57.707 56.400 -0.135 0.000 0.801 184 E CB -0.238 29.400 29.700 -0.104 0.000 0.750 184 E HN 0.341 nan 8.360 nan 0.000 0.452 185 D N 0.266 120.596 120.400 -0.116 0.000 2.088 185 D HA -0.203 4.437 4.640 -0.000 0.000 0.191 185 D C 1.907 178.122 176.300 -0.141 0.000 0.992 185 D CA 1.780 55.712 54.000 -0.114 0.000 0.831 185 D CB -0.184 40.541 40.800 -0.126 0.000 0.973 185 D HN 0.243 nan 8.370 nan 0.000 0.447 186 A N 1.057 123.726 122.820 -0.251 0.000 1.948 186 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 186 A C 2.454 179.940 177.584 -0.163 0.000 1.177 186 A CA 2.835 54.680 52.037 -0.320 0.000 0.636 186 A CB -0.893 17.646 19.000 -0.769 0.000 0.815 186 A HN 0.410 nan 8.150 nan 0.000 0.449 187 A N -0.309 122.505 122.820 -0.011 0.000 1.898 187 A HA 0.187 4.507 4.320 -0.000 0.000 0.216 187 A C 2.512 180.191 177.584 0.158 0.000 1.181 187 A CA 2.007 54.234 52.037 0.316 0.000 0.620 187 A CB -1.024 18.257 19.000 0.468 0.000 0.819 187 A HN 1.131 nan 8.150 nan 0.000 0.442 188 A N -0.321 122.533 122.820 0.058 0.000 1.933 188 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 188 A C 2.161 179.713 177.584 -0.054 0.000 1.175 188 A CA 2.168 54.211 52.037 0.010 0.000 0.628 188 A CB -0.397 18.593 19.000 -0.017 0.000 0.814 188 A HN 0.501 nan 8.150 nan 0.000 0.444 189 R N -0.621 119.800 120.500 -0.133 0.000 2.065 189 R HA 0.098 4.438 4.340 -0.000 0.000 0.224 189 R C -0.314 175.765 176.300 -0.368 0.000 1.161 189 R CA 1.023 56.915 56.100 -0.347 0.000 0.923 189 R CB -0.740 29.215 30.300 -0.576 0.000 0.822 189 R HN 0.338 nan 8.270 nan 0.000 0.437 190 F N 1.536 121.484 119.950 -0.003 0.000 2.404 190 F HA 0.196 4.722 4.527 -0.000 0.000 0.345 190 F C 1.420 177.274 175.800 0.091 0.000 1.110 190 F CA -0.364 57.657 58.000 0.036 0.000 1.130 190 F CB 1.408 40.427 39.000 0.032 0.000 1.129 190 F HN 0.347 nan 8.300 nan 0.000 0.500 191 E N 0.887 121.233 120.200 0.244 0.000 2.358 191 E HA 0.002 4.352 4.350 -0.000 0.000 0.195 191 E C 1.553 178.269 176.600 0.193 0.000 1.010 191 E CA 0.645 57.151 56.400 0.177 0.000 0.856 191 E CB -0.108 29.661 29.700 0.115 0.000 0.795 191 E HN 0.811 nan 8.360 nan 0.000 0.504 192 G N 0.867 109.807 108.800 0.234 0.000 3.374 192 G HA2 0.160 4.120 3.960 -0.000 0.000 0.252 192 G HA3 0.160 4.120 3.960 -0.000 0.000 0.252 192 G C -0.953 174.095 174.900 0.247 0.000 1.326 192 G CA -0.328 44.879 45.100 0.177 0.000 1.133 192 G HN 0.220 nan 8.290 nan 0.000 0.528 193 F N -0.385 119.627 119.950 0.102 0.000 2.651 193 F HA 0.441 4.968 4.527 -0.000 0.000 0.329 193 F C 0.339 176.214 175.800 0.125 0.000 1.186 193 F CA -0.966 57.096 58.000 0.103 0.000 1.046 193 F CB 1.785 40.851 39.000 0.109 0.000 1.296 193 F HN -0.184 nan 8.300 nan 0.000 0.497 194 K N 3.867 124.149 120.400 -0.198 0.000 2.370 194 K HA 0.093 4.413 4.320 -0.000 0.000 0.194 194 K C -0.860 175.752 176.600 0.021 0.000 1.070 194 K CA 0.162 56.428 56.287 -0.035 0.000 0.998 194 K CB 0.146 32.610 32.500 -0.061 0.000 0.911 194 K HN 0.715 nan 8.250 nan 0.000 0.533 195 Y N 1.387 121.471 120.300 -0.360 0.000 2.852 195 Y HA -0.279 4.271 4.550 -0.000 0.000 0.103 195 Y C -0.621 175.268 175.900 -0.019 0.000 1.903 195 Y CA -0.128 57.932 58.100 -0.066 0.000 1.090 195 Y CB -1.788 36.859 38.460 0.313 0.000 1.730 195 Y HN -0.049 nan 8.280 nan 0.000 0.315 196 S N 4.528 120.055 115.700 -0.287 0.000 2.565 196 S HA 0.230 4.700 4.470 -0.000 0.000 0.276 196 S C 1.328 175.618 174.600 -0.516 0.000 1.326 196 S CA -0.056 57.936 58.200 -0.347 0.000 1.045 196 S CB 1.190 64.287 63.200 -0.172 0.000 0.918 196 S HN 0.735 nan 8.310 nan 0.000 0.505 197 K N 2.993 123.099 120.400 -0.491 0.000 2.283 197 K HA -0.044 4.276 4.320 -0.000 0.000 0.202 197 K C 1.826 178.313 176.600 -0.188 0.000 1.048 197 K CA 1.205 57.263 56.287 -0.382 0.000 0.948 197 K CB -0.544 31.810 32.500 -0.244 0.000 0.742 197 K HN 0.801 nan 8.250 nan 0.000 0.458 198 G N 0.570 109.279 108.800 -0.152 0.000 2.408 198 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.215 198 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.215 198 G C 1.366 176.232 174.900 -0.056 0.000 1.156 198 G CA 0.238 45.288 45.100 -0.083 0.000 0.793 198 G HN 0.177 nan 8.290 nan 0.000 0.535 199 M N -0.218 119.347 119.600 -0.059 0.000 2.296 199 M HA 0.066 4.546 4.480 -0.000 0.000 0.265 199 M C 2.352 178.651 176.300 -0.003 0.000 1.064 199 M CA 0.721 56.026 55.300 0.009 0.000 1.109 199 M CB -0.142 32.493 32.600 0.059 0.000 1.396 199 M HN 0.289 nan 8.290 nan 0.000 0.430 200 L N 0.671 121.858 121.223 -0.061 0.000 2.056 200 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 200 L C 2.290 179.118 176.870 -0.069 0.000 1.078 200 L CA 1.817 56.572 54.840 -0.143 0.000 0.749 200 L CB -0.513 41.527 42.059 -0.031 0.000 0.901 200 L HN 0.029 nan 8.230 nan 0.000 0.433 201 K N 0.041 120.421 120.400 -0.034 0.000 2.089 201 K HA -0.239 4.081 4.320 -0.000 0.000 0.210 201 K C 2.094 178.702 176.600 0.013 0.000 1.048 201 K CA 1.610 57.892 56.287 -0.008 0.000 0.926 201 K CB -0.597 31.894 32.500 -0.015 0.000 0.714 201 K HN 0.477 nan 8.250 nan 0.000 0.448 202 E N 1.357 121.568 120.200 0.018 0.000 2.017 202 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 202 E C 1.817 178.468 176.600 0.085 0.000 0.997 202 E CA 1.117 57.540 56.400 0.038 0.000 0.804 202 E CB 0.099 29.827 29.700 0.047 0.000 0.757 202 E HN 0.191 nan 8.360 nan 0.000 0.448 203 E N 0.304 120.583 120.200 0.131 0.000 2.136 203 E HA -0.186 4.164 4.350 -0.000 0.000 0.202 203 E C 2.267 179.060 176.600 0.321 0.000 1.019 203 E CA 1.374 57.938 56.400 0.274 0.000 0.819 203 E CB -0.288 29.523 29.700 0.184 0.000 0.739 203 E HN 0.186 nan 8.360 nan 0.000 0.458 204 V N 0.913 120.941 119.914 0.190 0.000 2.307 204 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 204 V C 2.109 178.254 176.094 0.086 0.000 1.045 204 V CA 1.880 64.293 62.300 0.187 0.000 1.024 204 V CB -0.456 31.453 31.823 0.143 0.000 0.651 204 V HN 0.109 nan 8.190 nan 0.000 0.449 205 E N -0.347 119.880 120.200 0.046 0.000 2.268 205 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 205 E C 2.235 178.792 176.600 -0.071 0.000 0.995 205 E CA 0.673 57.065 56.400 -0.013 0.000 0.836 205 E CB -0.256 29.433 29.700 -0.018 0.000 0.763 205 E HN 0.461 nan 8.360 nan 0.000 0.491 206 R N -0.791 119.675 120.500 -0.056 0.000 2.055 206 R HA -0.091 4.249 4.340 -0.000 0.000 0.228 206 R C 1.421 177.464 176.300 -0.428 0.000 1.143 206 R CA 1.123 57.063 56.100 -0.266 0.000 0.945 206 R CB -0.268 29.938 30.300 -0.156 0.000 0.841 206 R HN 0.223 nan 8.270 nan 0.000 0.429 207 Y N 0.734 120.954 120.300 -0.132 0.000 2.571 207 Y HA -0.038 4.512 4.550 -0.000 0.000 0.294 207 Y C 2.198 178.025 175.900 -0.122 0.000 1.141 207 Y CA 1.044 59.142 58.100 -0.002 0.000 1.308 207 Y CB 0.028 38.501 38.460 0.022 0.000 1.002 207 Y HN 0.119 nan 8.280 nan 0.000 0.551 208 K N 0.719 121.091 120.400 -0.047 0.000 2.155 208 K HA -0.157 4.163 4.320 -0.000 0.000 0.203 208 K C 2.177 178.751 176.600 -0.043 0.000 1.052 208 K CA 1.085 57.333 56.287 -0.066 0.000 0.948 208 K CB 0.054 32.520 32.500 -0.056 0.000 0.728 208 K HN 0.134 nan 8.250 nan 0.000 0.448 209 K N -0.290 120.050 120.400 -0.101 0.000 2.116 209 K HA -0.040 4.280 4.320 -0.000 0.000 0.203 209 K C 1.778 178.380 176.600 0.004 0.000 1.052 209 K CA 0.936 57.160 56.287 -0.106 0.000 0.952 209 K CB -0.068 32.302 32.500 -0.217 0.000 0.729 209 K HN 0.118 nan 8.250 nan 0.000 0.446 210 F N 0.869 120.797 119.950 -0.037 0.000 2.171 210 F HA -0.178 4.349 4.527 -0.000 0.000 0.300 210 F C 2.438 178.326 175.800 0.147 0.000 1.090 210 F CA 0.369 58.401 58.000 0.052 0.000 1.293 210 F CB -0.087 38.946 39.000 0.055 0.000 1.013 210 F HN 0.186 nan 8.300 nan 0.000 0.486 211 A N -0.157 122.828 122.820 0.276 0.000 1.978 211 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 211 A C 2.146 179.814 177.584 0.140 0.000 1.170 211 A CA 1.818 53.958 52.037 0.173 0.000 0.636 211 A CB -0.742 18.293 19.000 0.058 0.000 0.810 211 A HN 0.432 nan 8.150 nan 0.000 0.448 212 E N -0.313 119.947 120.200 0.100 0.000 2.051 212 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 212 E C 2.188 178.839 176.600 0.085 0.000 0.991 212 E CA 0.950 57.385 56.400 0.059 0.000 0.799 212 E CB -0.193 29.517 29.700 0.016 0.000 0.748 212 E HN 0.417 nan 8.360 nan 0.000 0.449 213 R N 0.332 120.896 120.500 0.107 0.000 2.073 213 R HA -0.080 4.260 4.340 -0.000 0.000 0.229 213 R C 2.495 179.067 176.300 0.453 0.000 1.120 213 R CA 0.587 56.757 56.100 0.118 0.000 0.967 213 R CB -0.773 29.364 30.300 -0.273 0.000 0.862 213 R HN 0.252 nan 8.270 nan 0.000 0.436 214 L N 1.730 123.342 121.223 0.647 0.000 2.217 214 L HA -0.057 4.283 4.340 -0.000 0.000 0.211 214 L C 2.109 179.222 176.870 0.405 0.000 1.107 214 L CA 1.575 56.829 54.840 0.690 0.000 0.783 214 L CB -0.400 41.896 42.059 0.395 0.000 0.919 214 L HN 0.021 nan 8.230 nan 0.000 0.442 215 E N 0.598 120.933 120.200 0.225 0.000 2.086 215 E HA -0.220 4.130 4.350 -0.000 0.000 0.205 215 E C -0.452 176.179 176.600 0.051 0.000 1.027 215 E CA 2.289 58.752 56.400 0.105 0.000 0.830 215 E CB -1.433 28.299 29.700 0.054 0.000 0.751 215 E HN 0.468 nan 8.360 nan 0.000 0.456 216 P HA -0.109 nan 4.420 nan 0.000 0.225 216 P C 1.224 178.400 177.300 -0.207 0.000 1.148 216 P CA 0.975 63.971 63.100 -0.174 0.000 0.779 216 P CB -0.244 31.269 31.700 -0.312 0.000 0.780 217 F N 0.170 120.167 119.950 0.078 0.000 2.270 217 F HA 0.136 4.663 4.527 -0.000 0.000 0.295 217 F C 1.761 177.572 175.800 0.017 0.000 1.087 217 F CA -0.064 57.974 58.000 0.063 0.000 1.365 217 F CB -0.902 38.151 39.000 0.088 0.000 1.056 217 F HN -0.280 nan 8.300 nan 0.000 0.506 218 I N 0.873 121.550 120.570 0.179 0.000 2.815 218 I HA 0.225 4.394 4.170 -0.000 0.000 0.291 218 I C 0.231 176.389 176.117 0.068 0.000 1.209 218 I CA 0.086 61.438 61.300 0.087 0.000 1.431 218 I CB -0.007 38.028 38.000 0.058 0.000 1.351 218 I HN 0.085 nan 8.210 nan 0.000 0.585 219 A N 4.418 127.272 122.820 0.056 0.000 2.590 219 A HA 0.239 4.559 4.320 -0.000 0.000 0.294 219 A C -1.001 176.618 177.584 0.058 0.000 1.046 219 A CA -0.742 51.329 52.037 0.058 0.000 0.684 219 A CB 1.127 20.164 19.000 0.063 0.000 1.279 219 A HN 0.665 nan 8.150 nan 0.000 0.415 220 D N 1.875 122.319 120.400 0.074 0.000 2.385 220 D HA 0.117 4.757 4.640 -0.000 0.000 0.260 220 D C 1.324 177.678 176.300 0.090 0.000 1.326 220 D CA 1.024 55.076 54.000 0.086 0.000 1.023 220 D CB 0.483 41.352 40.800 0.115 0.000 1.083 220 D HN 0.452 nan 8.370 nan 0.000 0.517 221 T N 2.334 116.924 114.554 0.060 0.000 2.665 221 T HA -0.153 4.196 4.350 -0.000 0.000 0.268 221 T C 2.005 176.734 174.700 0.050 0.000 1.035 221 T CA 1.299 63.426 62.100 0.046 0.000 1.151 221 T CB 0.163 69.049 68.868 0.030 0.000 0.862 221 T HN 0.293 nan 8.240 nan 0.000 0.438 222 V N 0.555 120.508 119.914 0.064 0.000 2.261 222 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 222 V C 2.201 178.349 176.094 0.090 0.000 1.047 222 V CA 2.367 64.707 62.300 0.067 0.000 1.015 222 V CB -0.766 31.099 31.823 0.070 0.000 0.642 222 V HN 0.574 nan 8.190 nan 0.000 0.446 223 H N 0.228 119.309 119.070 0.018 0.000 2.293 223 H HA -0.141 4.415 4.556 -0.000 0.000 0.300 223 H C 2.088 177.427 175.328 0.018 0.000 1.082 223 H CA 2.296 58.354 56.048 0.017 0.000 1.308 223 H CB -0.487 29.286 29.762 0.018 0.000 1.375 223 H HN 0.127 nan 8.280 nan 0.000 0.495 224 V N 0.869 120.741 119.914 -0.069 0.000 2.231 224 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 224 V C 2.849 178.880 176.094 -0.106 0.000 1.054 224 V CA 2.153 64.382 62.300 -0.119 0.000 1.015 224 V CB -0.890 30.925 31.823 -0.013 0.000 0.638 224 V HN 0.393 nan 8.190 nan 0.000 0.444 225 L N -0.187 121.010 121.223 -0.044 0.000 1.989 225 L HA -0.259 4.081 4.340 -0.000 0.000 0.211 225 L C 2.325 179.172 176.870 -0.039 0.000 1.071 225 L CA 2.429 57.253 54.840 -0.026 0.000 0.749 225 L CB -0.862 41.195 42.059 -0.003 0.000 0.890 225 L HN 0.428 nan 8.230 nan 0.000 0.431 226 N N -0.650 118.024 118.700 -0.044 0.000 2.120 226 N HA -0.234 4.506 4.740 -0.000 0.000 0.188 226 N C 1.798 177.265 175.510 -0.072 0.000 1.024 226 N CA 1.029 54.058 53.050 -0.036 0.000 0.852 226 N CB -0.012 38.474 38.487 -0.002 0.000 1.003 226 N HN 0.232 nan 8.380 nan 0.000 0.424 227 E N 0.675 120.775 120.200 -0.168 0.000 2.077 227 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 227 E C 1.748 178.290 176.600 -0.097 0.000 0.989 227 E CA 1.192 57.480 56.400 -0.186 0.000 0.800 227 E CB -0.110 29.363 29.700 -0.379 0.000 0.746 227 E HN 0.134 nan 8.360 nan 0.000 0.452 228 S N -0.047 115.604 115.700 -0.082 0.000 2.365 228 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 228 S C 1.944 176.534 174.600 -0.017 0.000 1.039 228 S CA 1.426 59.604 58.200 -0.037 0.000 1.033 228 S CB -0.383 62.805 63.200 -0.019 0.000 0.887 228 S HN 0.320 nan 8.310 nan 0.000 0.447 229 I N 0.960 121.522 120.570 -0.014 0.000 2.286 229 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 229 I C 2.618 178.733 176.117 -0.003 0.000 1.115 229 I CA 1.148 62.448 61.300 0.000 0.000 1.392 229 I CB -0.345 37.657 38.000 0.004 0.000 1.065 229 I HN 0.178 nan 8.210 nan 0.000 0.418 230 R N 0.607 121.099 120.500 -0.012 0.000 2.148 230 R HA -0.135 4.205 4.340 -0.000 0.000 0.227 230 R C 1.687 177.982 176.300 -0.008 0.000 1.103 230 R CA 1.010 57.105 56.100 -0.008 0.000 0.983 230 R CB -0.119 30.175 30.300 -0.010 0.000 0.874 230 R HN 0.521 nan 8.270 nan 0.000 0.451 231 Q N 0.261 120.054 119.800 -0.012 0.000 2.280 231 Q HA 0.056 4.396 4.340 -0.000 0.000 0.202 231 Q C -0.386 175.611 176.000 -0.006 0.000 0.903 231 Q CA -0.060 55.737 55.803 -0.009 0.000 0.948 231 Q CB 0.627 29.357 28.738 -0.013 0.000 1.058 231 Q HN -0.048 nan 8.270 nan 0.000 0.493 232 K N 0.585 120.983 120.400 -0.003 0.000 3.129 232 K HA -0.136 4.184 4.320 -0.000 0.000 0.273 232 K C -0.932 175.669 176.600 0.001 0.000 1.123 232 K CA 0.632 56.918 56.287 -0.001 0.000 0.800 232 K CB -0.956 31.540 32.500 -0.006 0.000 1.238 232 K HN 0.054 nan 8.250 nan 0.000 0.492 233 K N 1.641 122.047 120.400 0.009 0.000 2.258 233 K HA 0.157 4.477 4.320 -0.000 0.000 0.284 233 K C 0.198 176.828 176.600 0.050 0.000 1.051 233 K CA -0.251 56.047 56.287 0.019 0.000 0.923 233 K CB 0.794 33.306 32.500 0.019 0.000 1.046 233 K HN 0.112 nan 8.250 nan 0.000 0.474 234 K N 2.277 122.710 120.400 0.055 0.000 2.401 234 K HA 0.159 4.479 4.320 -0.000 0.000 0.278 234 K C 0.224 177.022 176.600 0.331 0.000 1.018 234 K CA -0.275 56.102 56.287 0.150 0.000 0.981 234 K CB 0.418 32.880 32.500 -0.065 0.000 0.933 234 K HN 0.416 nan 8.250 nan 0.000 0.477 235 I N 2.927 123.738 120.570 0.403 0.000 2.534 235 I HA 0.250 4.420 4.170 -0.000 0.000 0.288 235 I C -1.894 174.158 176.117 -0.108 0.000 1.077 235 I CA -0.947 60.462 61.300 0.181 0.000 1.051 235 I CB 1.528 39.568 38.000 0.067 0.000 1.234 235 I HN 0.448 nan 8.210 nan 0.000 0.425 236 L N 8.664 129.606 121.223 -0.468 0.000 2.287 236 L HA 0.672 5.012 4.340 -0.000 0.000 0.287 236 L C -1.140 175.526 176.870 -0.341 0.000 1.022 236 L CA -0.414 53.960 54.840 -0.776 0.000 0.814 236 L CB 1.579 42.868 42.059 -1.283 0.000 1.217 236 L HN 0.466 nan 8.230 nan 0.000 0.420 237 V N 4.711 124.484 119.914 -0.235 0.000 2.432 237 V HA 0.304 4.424 4.120 -0.000 0.000 0.275 237 V C 0.255 176.286 176.094 -0.104 0.000 1.043 237 V CA -0.603 61.621 62.300 -0.127 0.000 0.925 237 V CB 1.176 32.954 31.823 -0.075 0.000 0.985 237 V HN 0.808 nan 8.190 nan 0.000 0.466 238 E N 3.914 124.070 120.200 -0.073 0.000 2.089 238 E HA 0.448 4.798 4.350 -0.000 0.000 0.284 238 E C 0.495 177.110 176.600 0.025 0.000 1.023 238 E CA -0.472 55.911 56.400 -0.028 0.000 0.819 238 E CB 0.988 30.654 29.700 -0.056 0.000 1.076 238 E HN 0.862 nan 8.360 nan 0.000 0.396 239 G N 2.790 111.619 108.800 0.049 0.000 2.441 239 G HA2 0.189 4.149 3.960 -0.000 0.000 0.243 239 G HA3 0.189 4.149 3.960 -0.000 0.000 0.243 239 G C 0.807 175.782 174.900 0.124 0.000 1.281 239 G CA -0.025 45.112 45.100 0.062 0.000 0.854 239 G HN 0.698 nan 8.290 nan 0.000 0.560 240 G N 0.866 109.727 108.800 0.102 0.000 2.454 240 G HA2 0.145 4.105 3.960 -0.000 0.000 0.214 240 G HA3 0.145 4.105 3.960 -0.000 0.000 0.214 240 G C 0.806 175.769 174.900 0.104 0.000 1.217 240 G CA 0.766 45.953 45.100 0.145 0.000 0.799 240 G HN 0.623 nan 8.290 nan 0.000 0.538 241 Q N -1.601 118.230 119.800 0.052 0.000 3.323 241 Q HA 0.662 5.002 4.340 -0.000 0.000 0.329 241 Q C -0.724 175.275 176.000 -0.002 0.000 0.939 241 Q CA -0.914 54.901 55.803 0.020 0.000 0.828 241 Q CB 1.547 30.306 28.738 0.036 0.000 1.564 241 Q HN 0.345 nan 8.270 nan 0.000 0.463 242 A N -0.008 122.801 122.820 -0.018 0.000 2.269 242 A HA 0.400 4.720 4.320 -0.000 0.000 0.319 242 A C 0.750 178.292 177.584 -0.070 0.000 1.110 242 A CA 0.109 52.113 52.037 -0.056 0.000 0.847 242 A CB 0.634 19.575 19.000 -0.099 0.000 1.161 242 A HN 0.789 nan 8.150 nan 0.000 0.497 243 T N -1.253 113.252 114.554 -0.083 0.000 3.035 243 T HA -0.073 4.277 4.350 -0.000 0.000 0.268 243 T C 1.236 175.862 174.700 -0.124 0.000 1.109 243 T CA 1.321 63.381 62.100 -0.066 0.000 1.119 243 T CB -0.295 68.527 68.868 -0.076 0.000 0.900 243 T HN 0.381 nan 8.240 nan 0.000 0.503 244 M N 0.080 119.474 119.600 -0.343 0.000 2.619 244 M HA 0.307 4.787 4.480 -0.000 0.000 0.251 244 M C 1.280 177.384 176.300 -0.327 0.000 1.106 244 M CA 0.417 55.366 55.300 -0.585 0.000 1.086 244 M CB -0.868 30.770 32.600 -1.602 0.000 1.465 244 M HN 0.285 nan 8.290 nan 0.000 0.506 245 L N -0.420 120.716 121.223 -0.146 0.000 2.640 245 L HA 0.219 4.559 4.340 -0.000 0.000 0.230 245 L C 0.712 177.613 176.870 0.052 0.000 1.123 245 L CA 0.152 55.014 54.840 0.037 0.000 0.900 245 L CB -0.224 41.870 42.059 0.058 0.000 1.146 245 L HN 0.133 nan 8.230 nan 0.000 0.484 246 D N -0.086 120.337 120.400 0.038 0.000 2.488 246 D HA -0.128 4.512 4.640 -0.000 0.000 0.238 246 D C 1.514 177.825 176.300 0.018 0.000 1.138 246 D CA 0.103 54.124 54.000 0.036 0.000 0.873 246 D CB 1.219 42.091 40.800 0.120 0.000 1.183 246 D HN 0.080 nan 8.370 nan 0.000 0.458 247 I N 3.385 123.927 120.570 -0.046 0.000 2.423 247 I HA -0.237 3.933 4.170 -0.000 0.000 0.254 247 I C 1.398 177.452 176.117 -0.105 0.000 1.151 247 I CA 1.602 62.880 61.300 -0.035 0.000 1.421 247 I CB 0.039 37.977 38.000 -0.102 0.000 1.079 247 I HN 0.402 nan 8.210 nan 0.000 0.431 248 D N -0.866 119.349 120.400 -0.308 0.000 2.490 248 D HA 0.032 4.672 4.640 -0.000 0.000 0.244 248 D C 1.925 177.956 176.300 -0.447 0.000 0.979 248 D CA 1.117 54.787 54.000 -0.550 0.000 0.924 248 D CB -0.037 40.136 40.800 -1.045 0.000 1.075 248 D HN 0.392 nan 8.370 nan 0.000 0.488 249 F N 1.500 121.478 119.950 0.046 0.000 2.619 249 F HA 0.231 4.758 4.527 -0.000 0.000 0.293 249 F C 1.865 177.773 175.800 0.179 0.000 1.119 249 F CA -0.294 57.779 58.000 0.122 0.000 1.445 249 F CB -0.094 38.921 39.000 0.025 0.000 1.119 249 F HN -0.158 nan 8.300 nan 0.000 0.573 250 G N 0.284 109.229 108.800 0.242 0.000 2.583 250 G HA2 0.211 4.171 3.960 -0.000 0.000 0.275 250 G HA3 0.211 4.171 3.960 -0.000 0.000 0.275 250 G C 0.159 175.251 174.900 0.320 0.000 1.342 250 G CA -0.203 45.025 45.100 0.214 0.000 1.030 250 G HN 0.155 nan 8.290 nan 0.000 0.520 251 T N -1.668 113.122 114.554 0.394 0.000 4.219 251 T HA 0.172 4.522 4.350 -0.000 0.000 0.263 251 T C 0.001 174.933 174.700 0.387 0.000 1.217 251 T CA -0.433 61.942 62.100 0.458 0.000 1.145 251 T CB -0.670 68.541 68.868 0.572 0.000 1.298 251 T HN 0.326 nan 8.240 nan 0.000 0.999 252 Y N 4.473 124.880 120.300 0.178 0.000 2.597 252 Y HA 0.188 4.738 4.550 -0.000 0.000 0.336 252 Y C -1.054 174.861 175.900 0.025 0.000 1.216 252 Y CA -1.602 56.536 58.100 0.063 0.000 1.463 252 Y CB 0.996 39.467 38.460 0.018 0.000 1.303 252 Y HN 0.311 nan 8.280 nan 0.000 0.576 253 P HA -0.036 nan 4.420 nan 0.000 0.245 253 P C -0.394 176.462 177.300 -0.740 0.000 1.206 253 P CA 0.585 62.906 63.100 -1.299 0.000 0.781 253 P CB -0.111 30.847 31.700 -1.237 0.000 0.994 254 F N 2.182 122.050 119.950 -0.138 0.000 2.677 254 F HA 0.114 4.641 4.527 -0.000 0.000 0.358 254 F C 1.243 177.073 175.800 0.051 0.000 1.266 254 F CA -0.171 57.810 58.000 -0.030 0.000 1.262 254 F CB -0.599 38.410 39.000 0.015 0.000 1.684 254 F HN -0.155 nan 8.300 nan 0.000 0.671 255 V N -2.525 117.445 119.914 0.094 0.000 3.112 255 V HA 0.639 4.759 4.120 -0.000 0.000 0.310 255 V C -0.337 175.794 176.094 0.061 0.000 1.364 255 V CA -0.942 61.431 62.300 0.123 0.000 1.058 255 V CB 1.578 33.483 31.823 0.137 0.000 1.079 255 V HN 0.093 nan 8.190 nan 0.000 0.463 256 T N -0.112 114.473 114.554 0.051 0.000 2.934 256 T HA 0.435 4.785 4.350 -0.000 0.000 0.283 256 T C 1.148 175.827 174.700 -0.035 0.000 1.005 256 T CA 0.323 62.433 62.100 0.017 0.000 1.041 256 T CB 1.391 70.271 68.868 0.021 0.000 1.042 256 T HN 1.595 nan 8.240 nan 0.000 0.505 257 S N 1.593 117.254 115.700 -0.066 0.000 2.607 257 S HA 0.123 4.593 4.470 -0.000 0.000 0.224 257 S C 1.004 175.337 174.600 -0.446 0.000 0.969 257 S CA 0.026 58.133 58.200 -0.154 0.000 0.927 257 S CB -0.205 62.969 63.200 -0.043 0.000 0.772 257 S HN 0.599 nan 8.310 nan 0.000 0.533 258 S N 0.564 116.006 115.700 -0.430 0.000 2.722 258 S HA 0.597 5.067 4.470 -0.000 0.000 0.292 258 S C -0.322 174.126 174.600 -0.254 0.000 1.135 258 S CA -0.648 57.233 58.200 -0.533 0.000 1.003 258 S CB 1.432 64.419 63.200 -0.355 0.000 1.067 258 S HN 0.225 nan 8.310 nan 0.000 0.546 259 S N 3.164 118.746 115.700 -0.197 0.000 2.512 259 S HA 0.363 4.833 4.470 -0.000 0.000 0.291 259 S C -2.247 172.333 174.600 -0.035 0.000 1.151 259 S CA -0.960 57.183 58.200 -0.095 0.000 1.120 259 S CB 1.175 64.324 63.200 -0.085 0.000 1.029 259 S HN 0.564 nan 8.310 nan 0.000 0.485 260 P HA -0.018 nan 4.420 nan 0.000 0.237 260 P C 0.677 177.987 177.300 0.017 0.000 1.178 260 P CA 0.316 63.420 63.100 0.008 0.000 0.766 260 P CB 0.065 31.770 31.700 0.008 0.000 0.876 261 S N -0.646 115.074 115.700 0.033 0.000 2.617 261 S HA 0.348 4.818 4.470 -0.000 0.000 0.259 261 S C 1.662 176.250 174.600 -0.021 0.000 1.301 261 S CA -0.001 58.204 58.200 0.007 0.000 0.984 261 S CB 0.401 63.644 63.200 0.071 0.000 0.954 261 S HN 0.050 nan 8.310 nan 0.000 0.572 262 A N 1.029 123.797 122.820 -0.085 0.000 1.933 262 A HA 0.124 4.444 4.320 -0.000 0.000 0.218 262 A C 2.265 179.819 177.584 -0.051 0.000 1.175 262 A CA 1.747 53.733 52.037 -0.084 0.000 0.628 262 A CB -1.931 16.973 19.000 -0.159 0.000 0.814 262 A HN 1.210 nan 8.150 nan 0.000 0.444 263 G N -0.429 108.350 108.800 -0.036 0.000 2.469 263 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.220 263 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.220 263 G C 1.487 176.386 174.900 -0.001 0.000 1.136 263 G CA 1.250 46.346 45.100 -0.007 0.000 0.759 263 G HN 0.755 nan 8.290 nan 0.000 0.562 264 G N 1.324 110.126 108.800 0.003 0.000 2.470 264 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.220 264 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.220 264 G C 1.755 176.654 174.900 -0.001 0.000 1.121 264 G CA 0.906 46.004 45.100 -0.003 0.000 0.766 264 G HN 0.715 nan 8.290 nan 0.000 0.553 265 I N -2.156 118.410 120.570 -0.006 0.000 2.761 265 I HA 0.017 4.187 4.170 -0.000 0.000 0.261 265 I C 2.262 178.377 176.117 -0.003 0.000 1.198 265 I CA 0.373 61.670 61.300 -0.005 0.000 1.482 265 I CB -0.500 37.492 38.000 -0.012 0.000 1.100 265 I HN 0.050 nan 8.210 nan 0.000 0.445 266 C N 1.926 121.223 119.300 -0.005 0.000 2.518 266 C HA -0.080 4.380 4.460 -0.000 0.000 0.279 266 C C 3.159 178.153 174.990 0.007 0.000 1.279 266 C CA 1.618 60.635 59.018 -0.001 0.000 1.703 266 C CB -0.889 26.848 27.740 -0.006 0.000 2.072 266 C HN 0.693 nan 8.230 nan 0.000 0.487 267 T N -1.217 113.341 114.554 0.006 0.000 2.962 267 T HA -0.002 4.348 4.350 -0.000 0.000 0.270 267 T C 1.680 176.394 174.700 0.024 0.000 1.088 267 T CA 1.829 63.936 62.100 0.012 0.000 1.127 267 T CB -0.450 68.420 68.868 0.003 0.000 0.883 267 T HN 0.533 nan 8.240 nan 0.000 0.493 268 G N 0.358 109.172 108.800 0.022 0.000 2.662 268 G HA2 0.319 4.279 3.960 -0.000 0.000 0.212 268 G HA3 0.319 4.279 3.960 -0.000 0.000 0.212 268 G C 1.350 176.267 174.900 0.029 0.000 1.141 268 G CA 0.014 45.134 45.100 0.033 0.000 0.797 268 G HN 0.518 nan 8.290 nan 0.000 0.531 269 L N -0.961 120.273 121.223 0.020 0.000 2.577 269 L HA 0.340 4.680 4.340 -0.000 0.000 0.225 269 L C 1.702 178.584 176.870 0.021 0.000 1.053 269 L CA 0.571 55.421 54.840 0.017 0.000 0.866 269 L CB 0.469 42.532 42.059 0.007 0.000 1.132 269 L HN 0.294 nan 8.230 nan 0.000 0.486 270 G N 2.188 111.001 108.800 0.021 0.000 2.207 270 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 270 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 270 G C -0.011 174.901 174.900 0.019 0.000 1.053 270 G CA 0.238 45.352 45.100 0.024 0.000 0.764 270 G HN 0.370 nan 8.290 nan 0.000 0.495 271 I N -2.251 118.326 120.570 0.012 0.000 2.648 271 I HA 0.886 5.056 4.170 -0.000 0.000 0.304 271 I C 0.585 176.705 176.117 0.005 0.000 1.009 271 I CA -1.180 60.125 61.300 0.009 0.000 1.114 271 I CB 2.045 40.048 38.000 0.006 0.000 1.293 271 I HN 0.396 nan 8.210 nan 0.000 0.449 272 A N 5.034 127.857 122.820 0.005 0.000 2.477 272 A HA 0.385 4.705 4.320 -0.000 0.000 0.246 272 A C -1.704 175.878 177.584 -0.004 0.000 1.078 272 A CA -1.056 50.982 52.037 0.001 0.000 0.770 272 A CB -0.341 18.661 19.000 0.003 0.000 1.011 272 A HN 0.738 nan 8.150 nan 0.000 0.494 273 P HA -0.203 nan 4.420 nan 0.000 0.219 273 P C 1.413 178.702 177.300 -0.018 0.000 1.146 273 P CA 1.536 64.625 63.100 -0.018 0.000 0.808 273 P CB 0.061 31.747 31.700 -0.023 0.000 0.779 274 R N -0.927 119.566 120.500 -0.012 0.000 2.189 274 R HA 0.023 4.363 4.340 -0.000 0.000 0.218 274 R C 1.796 178.093 176.300 -0.004 0.000 1.074 274 R CA 0.813 56.907 56.100 -0.010 0.000 0.991 274 R CB -1.295 29.001 30.300 -0.007 0.000 0.883 274 R HN 0.063 nan 8.270 nan 0.000 0.457 275 V N 1.414 121.327 119.914 -0.001 0.000 3.129 275 V HA 0.173 4.293 4.120 -0.000 0.000 0.259 275 V C 0.773 176.872 176.094 0.009 0.000 1.116 275 V CA 0.222 62.525 62.300 0.006 0.000 1.127 275 V CB -0.089 31.739 31.823 0.008 0.000 0.742 275 V HN 0.215 nan 8.190 nan 0.000 0.474 276 I N 1.322 121.893 120.570 0.001 0.000 2.505 276 I HA 0.268 4.438 4.170 -0.000 0.000 0.287 276 I C 1.387 177.509 176.117 0.007 0.000 1.104 276 I CA 0.537 61.838 61.300 0.002 0.000 1.387 276 I CB 0.585 38.577 38.000 -0.014 0.000 1.404 276 I HN 0.213 nan 8.210 nan 0.000 0.528 277 G N 5.487 114.302 108.800 0.026 0.000 3.311 277 G HA2 0.054 4.014 3.960 -0.000 0.000 0.169 277 G HA3 0.054 4.014 3.960 -0.000 0.000 0.169 277 G C 0.002 174.926 174.900 0.038 0.000 1.852 277 G CA -0.286 44.836 45.100 0.036 0.000 1.010 277 G HN 0.500 nan 8.290 nan 0.000 0.530 278 D N 0.503 120.943 120.400 0.066 0.000 2.443 278 D HA 0.294 4.934 4.640 -0.000 0.000 0.239 278 D C -0.267 176.076 176.300 0.072 0.000 1.136 278 D CA 0.646 54.691 54.000 0.076 0.000 0.879 278 D CB 1.498 42.366 40.800 0.113 0.000 1.195 278 D HN -0.023 nan 8.370 nan 0.000 0.443 279 L N 3.102 124.381 121.223 0.093 0.000 2.415 279 L HA 0.374 4.714 4.340 -0.000 0.000 0.268 279 L C -0.244 176.755 176.870 0.214 0.000 0.984 279 L CA -0.553 54.374 54.840 0.145 0.000 0.853 279 L CB 1.299 43.444 42.059 0.143 0.000 1.215 279 L HN 0.164 nan 8.230 nan 0.000 0.419 280 I N 2.753 123.380 120.570 0.096 0.000 2.352 280 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 280 I C 0.960 176.945 176.117 -0.220 0.000 1.036 280 I CA -0.077 61.213 61.300 -0.018 0.000 1.336 280 I CB 1.208 39.197 38.000 -0.020 0.000 1.407 280 I HN 0.589 nan 8.210 nan 0.000 0.497 281 G N 6.217 114.626 108.800 -0.651 0.000 2.329 281 G HA2 0.455 4.415 3.960 -0.000 0.000 0.309 281 G HA3 0.455 4.415 3.960 -0.000 0.000 0.309 281 G C -0.320 174.216 174.900 -0.607 0.000 1.110 281 G CA -0.366 43.986 45.100 -1.246 0.000 0.923 281 G HN 0.395 nan 8.290 nan 0.000 0.430 282 V N 3.483 123.168 119.914 -0.382 0.000 2.415 282 V HA 0.130 4.250 4.120 -0.000 0.000 0.267 282 V C 0.177 176.149 176.094 -0.203 0.000 1.042 282 V CA -0.320 61.846 62.300 -0.224 0.000 1.000 282 V CB 0.782 32.512 31.823 -0.155 0.000 1.015 282 V HN 0.453 nan 8.190 nan 0.000 0.478 283 V N 5.583 125.401 119.914 -0.159 0.000 2.334 283 V HA 0.354 4.474 4.120 -0.000 0.000 0.281 283 V C 0.299 176.359 176.094 -0.056 0.000 1.016 283 V CA -0.930 61.306 62.300 -0.107 0.000 0.832 283 V CB 1.320 33.084 31.823 -0.097 0.000 0.999 283 V HN 0.845 nan 8.190 nan 0.000 0.439 284 K N 3.075 123.432 120.400 -0.070 0.000 2.258 284 K HA 0.445 4.765 4.320 -0.000 0.000 0.264 284 K C 1.365 177.951 176.600 -0.023 0.000 1.007 284 K CA 0.260 56.480 56.287 -0.113 0.000 0.941 284 K CB 1.339 33.675 32.500 -0.273 0.000 0.966 284 K HN 0.732 nan 8.250 nan 0.000 0.480 285 A N 3.365 126.219 122.820 0.056 0.000 2.019 285 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 285 A C -0.060 177.782 177.584 0.429 0.000 1.164 285 A CA 1.215 53.453 52.037 0.335 0.000 0.644 285 A CB -0.559 18.727 19.000 0.476 0.000 0.805 285 A HN 0.693 nan 8.150 nan 0.000 0.449 286 Y N -2.897 117.542 120.300 0.231 0.000 2.562 286 Y HA 0.610 5.160 4.550 -0.000 0.000 0.345 286 Y C -0.074 175.955 175.900 0.215 0.000 1.045 286 Y CA -1.270 56.971 58.100 0.235 0.000 1.028 286 Y CB 0.251 38.791 38.460 0.134 0.000 1.297 286 Y HN 0.022 nan 8.280 nan 0.000 0.463 287 T N -0.606 114.150 114.554 0.336 0.000 2.909 287 T HA 0.643 4.993 4.350 -0.000 0.000 0.289 287 T C -0.228 174.690 174.700 0.363 0.000 1.005 287 T CA -0.112 62.173 62.100 0.308 0.000 1.084 287 T CB 1.141 70.268 68.868 0.433 0.000 0.975 287 T HN 1.176 nan 8.240 nan 0.000 0.509 288 T N 0.332 115.017 114.554 0.219 0.000 3.031 288 T HA 0.495 4.845 4.350 -0.000 0.000 0.305 288 T C -0.696 174.042 174.700 0.063 0.000 0.985 288 T CA -0.966 61.257 62.100 0.205 0.000 1.008 288 T CB 1.097 70.040 68.868 0.125 0.000 1.005 288 T HN 0.784 nan 8.240 nan 0.000 0.444 289 R N 2.497 122.988 120.500 -0.015 0.000 2.295 289 R HA 0.595 4.935 4.340 -0.000 0.000 0.324 289 R C -0.801 175.475 176.300 -0.041 0.000 0.968 289 R CA -0.745 55.209 56.100 -0.244 0.000 0.837 289 R CB 1.678 31.450 30.300 -0.879 0.000 1.133 289 R HN 0.634 nan 8.270 nan 0.000 0.450 290 V N 5.738 125.648 119.914 -0.006 0.000 2.368 290 V HA 0.667 4.787 4.120 -0.000 0.000 0.266 290 V C 0.092 176.197 176.094 0.018 0.000 1.045 290 V CA 1.144 63.459 62.300 0.026 0.000 0.899 290 V CB 0.349 32.202 31.823 0.050 0.000 1.006 290 V HN 1.048 nan 8.190 nan 0.000 0.470 291 G N 4.670 113.477 108.800 0.012 0.000 2.592 291 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.684 291 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.684 291 G C -0.278 174.586 174.900 -0.059 0.000 1.291 291 G CA -0.396 44.708 45.100 0.006 0.000 0.891 291 G HN 1.856 nan 8.290 nan 0.000 0.544 292 S N -0.491 115.159 115.700 -0.083 0.000 2.579 292 S HA 0.830 5.300 4.470 -0.000 0.000 0.275 292 S C 0.871 175.125 174.600 -0.576 0.000 1.345 292 S CA 1.001 59.054 58.200 -0.244 0.000 1.031 292 S CB 1.602 64.689 63.200 -0.188 0.000 0.892 292 S HN 2.746 nan 8.310 nan 0.000 0.529 293 G N 0.432 108.761 108.800 -0.785 0.000 2.361 293 G HA2 0.370 4.330 3.960 -0.000 0.000 0.305 293 G HA3 0.370 4.330 3.960 -0.000 0.000 0.305 293 G C -3.705 170.916 174.900 -0.466 0.000 1.367 293 G CA -1.151 43.337 45.100 -1.021 0.000 0.951 293 G HN 0.624 nan 8.290 nan 0.000 0.615 294 P HA 0.518 nan 4.420 nan 0.000 0.271 294 P C -1.059 176.157 177.300 -0.140 0.000 1.220 294 P CA 0.063 63.100 63.100 -0.106 0.000 0.768 294 P CB 0.387 32.101 31.700 0.024 0.000 0.848 295 F N 6.009 125.839 119.950 -0.199 0.000 3.090 295 F HA 0.337 4.864 4.527 -0.000 0.000 0.381 295 F C -2.179 173.566 175.800 -0.092 0.000 1.231 295 F CA -2.867 54.998 58.000 -0.225 0.000 1.177 295 F CB 1.070 39.914 39.000 -0.259 0.000 1.598 295 F HN 0.213 nan 8.300 nan 0.000 0.589 296 P HA -0.115 nan 4.420 nan 0.000 0.213 296 P C 1.421 178.888 177.300 0.279 0.000 1.170 296 P CA 1.995 65.225 63.100 0.217 0.000 0.893 296 P CB 0.064 31.910 31.700 0.242 0.000 0.784 297 T N -2.955 111.867 114.554 0.447 0.000 3.284 297 T HA 0.005 4.355 4.350 -0.000 0.000 0.252 297 T C 0.574 175.282 174.700 0.014 0.000 1.144 297 T CA -0.156 62.218 62.100 0.458 0.000 1.021 297 T CB -0.998 68.250 68.868 0.633 0.000 0.984 297 T HN 0.158 nan 8.240 nan 0.000 0.545 298 E N 1.247 121.209 120.200 -0.395 0.000 2.480 298 E HA 0.140 4.490 4.350 -0.000 0.000 0.258 298 E C -0.728 175.573 176.600 -0.497 0.000 0.984 298 E CA -0.149 55.675 56.400 -0.961 0.000 0.930 298 E CB 0.256 29.380 29.700 -0.961 0.000 0.936 298 E HN 0.481 nan 8.360 nan 0.000 0.466 299 L N 6.428 127.324 121.223 -0.545 0.000 2.277 299 L HA 0.140 4.480 4.340 -0.000 0.000 0.284 299 L C 0.303 176.977 176.870 -0.326 0.000 1.028 299 L CA -0.514 54.078 54.840 -0.414 0.000 0.835 299 L CB 0.834 42.566 42.059 -0.546 0.000 1.215 299 L HN 0.673 nan 8.230 nan 0.000 0.425 300 L N 2.536 123.619 121.223 -0.234 0.000 2.477 300 L HA 0.241 4.581 4.340 -0.000 0.000 0.220 300 L C 1.475 178.258 176.870 -0.145 0.000 1.106 300 L CA 0.295 55.030 54.840 -0.176 0.000 0.851 300 L CB -0.469 41.510 42.059 -0.133 0.000 0.994 300 L HN 0.568 nan 8.230 nan 0.000 0.462 301 G N -1.234 107.475 108.800 -0.151 0.000 2.563 301 G HA2 0.134 4.094 3.960 -0.000 0.000 0.283 301 G HA3 0.134 4.094 3.960 -0.000 0.000 0.283 301 G C 0.681 175.496 174.900 -0.142 0.000 1.309 301 G CA -0.362 44.664 45.100 -0.124 0.000 1.022 301 G HN -0.012 nan 8.290 nan 0.000 0.501 302 E N -0.057 120.075 120.200 -0.113 0.000 2.147 302 E HA -0.172 4.178 4.350 -0.000 0.000 0.199 302 E C 2.289 178.793 176.600 -0.159 0.000 1.005 302 E CA 1.472 57.803 56.400 -0.114 0.000 0.810 302 E CB -0.105 29.544 29.700 -0.086 0.000 0.736 302 E HN 0.708 nan 8.360 nan 0.000 0.460 303 E N -0.423 119.666 120.200 -0.185 0.000 2.118 303 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 303 E C 2.108 178.484 176.600 -0.373 0.000 0.992 303 E CA 1.092 57.332 56.400 -0.266 0.000 0.804 303 E CB -0.262 29.269 29.700 -0.282 0.000 0.741 303 E HN 0.329 nan 8.360 nan 0.000 0.458 304 G N 1.111 109.702 108.800 -0.349 0.000 2.394 304 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.215 304 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.215 304 G C 1.198 175.935 174.900 -0.271 0.000 1.165 304 G CA 0.649 45.535 45.100 -0.356 0.000 0.784 304 G HN 0.126 nan 8.290 nan 0.000 0.535 305 D N 0.445 120.725 120.400 -0.200 0.000 2.144 305 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 305 D C 2.733 178.946 176.300 -0.145 0.000 0.984 305 D CA 0.908 54.826 54.000 -0.137 0.000 0.834 305 D CB 0.019 40.764 40.800 -0.092 0.000 0.955 305 D HN 0.201 nan 8.370 nan 0.000 0.465 306 V N 1.517 121.323 119.914 -0.181 0.000 2.295 306 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 306 V C 2.672 178.624 176.094 -0.235 0.000 1.049 306 V CA 1.132 63.323 62.300 -0.181 0.000 1.024 306 V CB -0.470 31.237 31.823 -0.192 0.000 0.648 306 V HN 0.167 nan 8.190 nan 0.000 0.447 307 L N -0.409 120.609 121.223 -0.341 0.000 1.976 307 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 307 L C 2.760 179.414 176.870 -0.359 0.000 1.071 307 L CA 2.098 56.645 54.840 -0.488 0.000 0.746 307 L CB -0.700 40.944 42.059 -0.692 0.000 0.890 307 L HN 0.243 nan 8.230 nan 0.000 0.432 308 R N 0.635 120.960 120.500 -0.291 0.000 2.113 308 R HA -0.247 4.093 4.340 -0.000 0.000 0.244 308 R C 2.317 178.472 176.300 -0.241 0.000 1.142 308 R CA 2.027 57.951 56.100 -0.293 0.000 0.953 308 R CB -0.099 30.023 30.300 -0.296 0.000 0.860 308 R HN 0.307 nan 8.270 nan 0.000 0.438 309 K N -0.545 119.808 120.400 -0.078 0.000 2.025 309 K HA -0.052 4.268 4.320 -0.000 0.000 0.207 309 K C 2.146 178.769 176.600 0.038 0.000 1.049 309 K CA 1.224 57.560 56.287 0.082 0.000 0.933 309 K CB -0.120 32.423 32.500 0.073 0.000 0.714 309 K HN 0.252 nan 8.250 nan 0.000 0.438 310 A N 1.050 123.843 122.820 -0.046 0.000 1.902 310 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 310 A C 2.320 179.902 177.584 -0.003 0.000 1.181 310 A CA 1.902 53.914 52.037 -0.042 0.000 0.623 310 A CB -0.929 18.009 19.000 -0.104 0.000 0.818 310 A HN 0.432 nan 8.150 nan 0.000 0.443 311 G N -2.346 106.443 108.800 -0.017 0.000 2.623 311 G HA2 0.237 4.197 3.960 -0.000 0.000 0.214 311 G HA3 0.237 4.197 3.960 -0.000 0.000 0.214 311 G C 0.714 175.656 174.900 0.071 0.000 1.138 311 G CA 0.497 45.650 45.100 0.087 0.000 0.794 311 G HN 0.462 nan 8.290 nan 0.000 0.535 312 M N 0.428 120.048 119.600 0.034 0.000 2.503 312 M HA -0.111 4.369 4.480 -0.000 0.000 0.208 312 M C -0.774 175.498 176.300 -0.046 0.000 0.434 312 M CA 0.216 55.586 55.300 0.117 0.000 0.551 312 M CB -1.309 31.399 32.600 0.180 0.000 2.025 312 M HN 0.056 nan 8.290 nan 0.000 0.827 313 E N 1.179 121.156 120.200 -0.371 0.000 1.858 313 E HA 0.380 4.730 4.350 -0.000 0.000 0.278 313 E C -0.610 175.540 176.600 -0.750 0.000 1.172 313 E CA 0.781 56.941 56.400 -0.400 0.000 1.127 313 E CB -0.427 29.104 29.700 -0.281 0.000 1.084 313 E HN 0.368 nan 8.360 nan 0.000 0.455 314 F N -0.933 119.049 119.950 0.053 0.000 2.601 314 F HA 0.382 4.909 4.527 0.000 0.000 0.309 314 F C 1.131 176.959 175.800 0.048 0.000 1.089 314 F CA -1.372 56.653 58.000 0.042 0.000 0.940 314 F CB 1.422 40.441 39.000 0.032 0.000 1.273 314 F HN 0.154 nan 8.300 nan 0.000 0.450 315 G N 0.499 109.437 108.800 0.230 0.000 2.265 315 G HA2 0.273 4.233 3.960 -0.000 0.000 0.240 315 G HA3 0.273 4.233 3.960 -0.000 0.000 0.240 315 G C 0.943 175.930 174.900 0.144 0.000 1.270 315 G CA 0.177 45.368 45.100 0.151 0.000 0.901 315 G HN 0.873 nan 8.290 nan 0.000 0.507 316 T N 0.110 114.737 114.554 0.121 0.000 2.881 316 T HA -0.121 4.229 4.350 -0.000 0.000 0.270 316 T C 1.929 176.685 174.700 0.093 0.000 1.068 316 T CA 1.927 64.093 62.100 0.109 0.000 1.131 316 T CB -0.068 68.863 68.868 0.105 0.000 0.871 316 T HN 0.395 nan 8.240 nan 0.000 0.479 317 T N 1.665 116.273 114.554 0.090 0.000 3.085 317 T HA 0.066 4.416 4.350 -0.000 0.000 0.241 317 T C 2.271 177.009 174.700 0.064 0.000 0.988 317 T CA 0.954 63.098 62.100 0.073 0.000 1.117 317 T CB -0.237 68.674 68.868 0.070 0.000 0.978 317 T HN 0.640 nan 8.240 nan 0.000 0.454 318 T N -0.090 114.507 114.554 0.073 0.000 3.067 318 T HA 0.301 4.651 4.350 -0.000 0.000 0.261 318 T C 2.015 176.758 174.700 0.072 0.000 1.110 318 T CA 0.784 62.925 62.100 0.068 0.000 1.113 318 T CB -0.493 68.419 68.868 0.074 0.000 0.917 318 T HN 0.536 nan 8.240 nan 0.000 0.499 319 G N 2.201 111.058 108.800 0.095 0.000 2.186 319 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.266 319 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.266 319 G C 0.216 175.215 174.900 0.164 0.000 0.982 319 G CA 0.192 45.350 45.100 0.097 0.000 0.670 319 G HN 0.643 nan 8.290 nan 0.000 0.533 320 R N 1.273 121.877 120.500 0.173 0.000 2.491 320 R HA 0.346 4.686 4.340 -0.000 0.000 0.283 320 R C -2.128 174.341 176.300 0.282 0.000 1.072 320 R CA -1.261 54.953 56.100 0.191 0.000 1.048 320 R CB 0.592 30.963 30.300 0.119 0.000 0.983 320 R HN 0.189 nan 8.270 nan 0.000 0.450 321 P HA 0.022 nan 4.420 nan 0.000 0.271 321 P C -0.796 176.506 177.300 0.004 0.000 1.226 321 P CA 0.156 63.348 63.100 0.153 0.000 0.765 321 P CB 0.666 32.494 31.700 0.213 0.000 0.835 322 R N 3.509 123.953 120.500 -0.094 0.000 2.390 322 R HA 0.275 4.615 4.340 -0.000 0.000 0.291 322 R C 0.867 177.153 176.300 -0.024 0.000 1.070 322 R CA -0.638 55.445 56.100 -0.029 0.000 1.014 322 R CB 0.790 31.078 30.300 -0.019 0.000 1.007 322 R HN 0.457 nan 8.270 nan 0.000 0.466 323 R N 1.362 121.886 120.500 0.041 0.000 2.623 323 R HA 0.113 4.453 4.340 -0.000 0.000 0.271 323 R C -0.234 176.129 176.300 0.105 0.000 1.043 323 R CA -0.037 56.086 56.100 0.038 0.000 1.083 323 R CB 0.290 30.662 30.300 0.119 0.000 0.974 323 R HN 0.550 nan 8.270 nan 0.000 0.436 324 C N 0.399 119.631 119.300 -0.114 0.000 2.822 324 C HA 0.934 5.394 4.460 -0.000 0.000 0.341 324 C C 0.638 175.406 174.990 -0.370 0.000 1.301 324 C CA -0.357 58.618 59.018 -0.071 0.000 1.706 324 C CB 1.956 29.630 27.740 -0.110 0.000 2.178 324 C HN 1.003 nan 8.230 nan 0.000 0.481 325 G N -0.915 107.803 108.800 -0.138 0.000 2.430 325 G HA2 0.488 4.448 3.960 -0.000 0.000 0.300 325 G HA3 0.488 4.448 3.960 -0.000 0.000 0.300 325 G C -2.015 172.894 174.900 0.015 0.000 1.330 325 G CA -0.754 44.196 45.100 -0.251 0.000 0.813 325 G HN 0.701 nan 8.290 nan 0.000 0.487 326 W N -0.586 120.833 121.300 0.198 0.000 2.161 326 W HA 0.528 5.188 4.660 0.000 0.000 0.344 326 W C 0.676 177.414 176.519 0.364 0.000 1.262 326 W CA -0.661 56.840 57.345 0.260 0.000 1.270 326 W CB 0.840 30.433 29.460 0.223 0.000 1.126 326 W HN 0.410 nan 8.180 nan 0.000 0.598 327 L N 3.201 124.812 121.223 0.647 0.000 2.513 327 L HA 0.028 4.368 4.340 -0.000 0.000 0.272 327 L C -0.051 177.077 176.870 0.430 0.000 1.187 327 L CA 0.500 55.621 54.840 0.468 0.000 0.895 327 L CB -0.193 42.103 42.059 0.394 0.000 1.147 327 L HN 0.252 nan 8.230 nan 0.000 0.483 328 D N 5.298 125.934 120.400 0.395 0.000 2.411 328 D HA 0.137 4.777 4.640 -0.000 0.000 0.225 328 D C 1.186 177.611 176.300 0.209 0.000 1.156 328 D CA -0.028 54.186 54.000 0.358 0.000 0.874 328 D CB 0.641 41.723 40.800 0.470 0.000 1.034 328 D HN 0.650 nan 8.370 nan 0.000 0.502 329 I N 2.815 123.474 120.570 0.149 0.000 2.617 329 I HA -0.182 3.988 4.170 -0.000 0.000 0.256 329 I C 2.208 178.336 176.117 0.019 0.000 1.167 329 I CA 0.228 61.569 61.300 0.069 0.000 1.469 329 I CB 0.241 38.272 38.000 0.051 0.000 1.098 329 I HN 0.280 nan 8.210 nan 0.000 0.436 330 V N 1.426 121.325 119.914 -0.024 0.000 2.233 330 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 330 V C 2.806 178.874 176.094 -0.043 0.000 1.050 330 V CA 2.227 64.448 62.300 -0.131 0.000 1.010 330 V CB -1.144 30.343 31.823 -0.559 0.000 0.637 330 V HN 0.494 nan 8.190 nan 0.000 0.444 331 A N -0.306 122.503 122.820 -0.019 0.000 1.933 331 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 331 A C 2.172 179.664 177.584 -0.152 0.000 1.175 331 A CA 2.102 53.967 52.037 -0.287 0.000 0.628 331 A CB -0.595 18.276 19.000 -0.215 0.000 0.814 331 A HN 0.458 nan 8.150 nan 0.000 0.444 332 L N -0.038 121.156 121.223 -0.049 0.000 2.017 332 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 332 L C 2.298 179.164 176.870 -0.006 0.000 1.073 332 L CA 2.682 57.506 54.840 -0.026 0.000 0.745 332 L CB -0.574 41.487 42.059 0.003 0.000 0.894 332 L HN 0.447 nan 8.230 nan 0.000 0.432 333 K N -1.672 118.729 120.400 0.002 0.000 2.032 333 K HA -0.287 4.033 4.320 -0.000 0.000 0.209 333 K C 2.332 178.926 176.600 -0.009 0.000 1.048 333 K CA 1.995 58.283 56.287 0.002 0.000 0.927 333 K CB -0.543 31.960 32.500 0.005 0.000 0.712 333 K HN 0.487 nan 8.250 nan 0.000 0.441 334 Y N 0.671 120.884 120.300 -0.145 0.000 2.165 334 Y HA -0.325 4.225 4.550 -0.000 0.000 0.286 334 Y C 2.404 178.161 175.900 -0.239 0.000 1.155 334 Y CA 1.817 59.808 58.100 -0.181 0.000 1.164 334 Y CB -0.777 37.547 38.460 -0.227 0.000 0.978 334 Y HN 0.302 nan 8.280 nan 0.000 0.513 335 C N -0.192 118.949 119.300 -0.265 0.000 2.440 335 C HA -0.158 4.302 4.460 -0.000 0.000 0.278 335 C C 2.871 177.683 174.990 -0.298 0.000 1.295 335 C CA 1.270 60.077 59.018 -0.352 0.000 1.738 335 C CB -1.908 25.755 27.740 -0.128 0.000 1.987 335 C HN 0.833 nan 8.230 nan 0.000 0.492 336 C N 0.926 120.162 119.300 -0.106 0.000 2.413 336 C HA -0.096 4.364 4.460 -0.000 0.000 0.276 336 C C 2.324 177.113 174.990 -0.334 0.000 1.248 336 C CA 1.566 60.535 59.018 -0.083 0.000 1.742 336 C CB -1.276 26.500 27.740 0.060 0.000 2.017 336 C HN 0.635 nan 8.230 nan 0.000 0.481 337 D N 0.820 121.035 120.400 -0.308 0.000 2.084 337 D HA -0.085 4.555 4.640 -0.000 0.000 0.194 337 D C 1.946 177.981 176.300 -0.442 0.000 0.990 337 D CA 1.174 54.983 54.000 -0.319 0.000 0.826 337 D CB -0.476 40.168 40.800 -0.260 0.000 0.971 337 D HN 0.450 nan 8.370 nan 0.000 0.453 338 I N 1.291 121.501 120.570 -0.600 0.000 2.194 338 I HA -0.282 3.888 4.170 -0.000 0.000 0.246 338 I C 1.952 177.696 176.117 -0.622 0.000 1.093 338 I CA 1.095 61.968 61.300 -0.712 0.000 1.355 338 I CB -0.171 37.242 38.000 -0.979 0.000 1.046 338 I HN 0.046 nan 8.210 nan 0.000 0.413 339 N N 0.108 118.373 118.700 -0.725 0.000 2.439 339 N HA 0.044 4.784 4.740 -0.000 0.000 0.176 339 N C 1.143 176.254 175.510 -0.664 0.000 1.029 339 N CA 1.047 53.632 53.050 -0.775 0.000 0.886 339 N CB 0.472 38.201 38.487 -1.264 0.000 1.057 339 N HN 0.382 nan 8.380 nan 0.000 0.437 340 G N 1.855 110.259 108.800 -0.661 0.000 2.401 340 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.283 340 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.283 340 G C -0.560 174.166 174.900 -0.291 0.000 1.117 340 G CA -0.450 44.425 45.100 -0.375 0.000 1.051 340 G HN 0.121 nan 8.290 nan 0.000 0.510 341 F N 0.972 120.854 119.950 -0.114 0.000 2.529 341 F HA 0.362 4.889 4.527 -0.000 0.000 0.365 341 F C 1.934 177.676 175.800 -0.095 0.000 1.102 341 F CA 0.050 57.990 58.000 -0.100 0.000 1.271 341 F CB 1.165 40.101 39.000 -0.107 0.000 1.120 341 F HN 0.331 nan 8.300 nan 0.000 0.579 342 S N 0.603 116.375 115.700 0.119 0.000 2.377 342 S HA 0.038 4.508 4.470 -0.000 0.000 0.223 342 S C 0.735 175.286 174.600 -0.081 0.000 1.030 342 S CA 0.686 58.897 58.200 0.018 0.000 0.970 342 S CB -0.331 62.887 63.200 0.029 0.000 0.830 342 S HN 0.657 nan 8.310 nan 0.000 0.473 343 S N -0.104 115.530 115.700 -0.110 0.000 2.903 343 S HA 0.823 5.293 4.470 -0.000 0.000 0.314 343 S C -1.187 173.302 174.600 -0.185 0.000 1.177 343 S CA -1.051 56.961 58.200 -0.313 0.000 0.859 343 S CB 0.934 63.710 63.200 -0.706 0.000 1.265 343 S HN 0.340 nan 8.310 nan 0.000 0.584 344 L N 0.579 121.695 121.223 -0.178 0.000 2.469 344 L HA 0.566 4.906 4.340 -0.000 0.000 0.256 344 L C -1.110 175.773 176.870 0.021 0.000 1.006 344 L CA -0.649 54.105 54.840 -0.142 0.000 0.832 344 L CB 2.321 44.281 42.059 -0.165 0.000 1.421 344 L HN 0.923 nan 8.230 nan 0.000 0.410 345 N N 2.014 120.714 118.700 0.000 0.000 2.569 345 N HA 0.251 4.991 4.740 -0.000 0.000 0.254 345 N C -1.363 174.152 175.510 0.008 0.000 1.004 345 N CA -0.588 52.514 53.050 0.087 0.000 0.904 345 N CB 1.274 39.773 38.487 0.022 0.000 1.165 345 N HN 0.418 nan 8.380 nan 0.000 0.513 346 L N 4.983 126.228 121.223 0.036 0.000 2.363 346 L HA 0.231 4.571 4.340 -0.000 0.000 0.286 346 L C 0.419 177.332 176.870 0.071 0.000 1.106 346 L CA 0.361 55.229 54.840 0.047 0.000 0.859 346 L CB -0.265 41.839 42.059 0.075 0.000 1.223 346 L HN 0.667 nan 8.230 nan 0.000 0.446 347 T N 1.659 116.238 114.554 0.041 0.000 2.862 347 T HA 0.307 4.657 4.350 -0.000 0.000 0.276 347 T C 0.537 175.286 174.700 0.081 0.000 0.974 347 T CA -0.804 61.322 62.100 0.044 0.000 0.966 347 T CB 0.857 69.723 68.868 -0.003 0.000 1.072 347 T HN 0.551 nan 8.240 nan 0.000 0.538 348 K N 0.005 120.462 120.400 0.095 0.000 3.177 348 K HA -0.167 4.153 4.320 -0.000 0.000 0.266 348 K C 0.513 177.263 176.600 0.251 0.000 0.937 348 K CA 0.181 56.564 56.287 0.161 0.000 0.702 348 K CB -1.297 31.298 32.500 0.159 0.000 1.365 348 K HN 0.517 nan 8.250 nan 0.000 0.466 349 L N 1.299 122.664 121.223 0.238 0.000 2.240 349 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 349 L C 2.109 179.172 176.870 0.322 0.000 1.106 349 L CA 2.053 57.085 54.840 0.319 0.000 0.793 349 L CB -0.095 42.149 42.059 0.308 0.000 0.927 349 L HN 0.394 nan 8.230 nan 0.000 0.446 350 D N -1.313 119.227 120.400 0.234 0.000 2.310 350 D HA -0.150 4.490 4.640 -0.000 0.000 0.212 350 D C 1.779 178.145 176.300 0.110 0.000 0.965 350 D CA 1.151 55.265 54.000 0.190 0.000 0.879 350 D CB -0.416 40.463 40.800 0.132 0.000 0.921 350 D HN 0.322 nan 8.370 nan 0.000 0.510 351 V N 0.848 120.830 119.914 0.114 0.000 2.871 351 V HA -0.094 4.026 4.120 -0.000 0.000 0.256 351 V C 2.544 178.557 176.094 -0.134 0.000 1.082 351 V CA 0.648 62.953 62.300 0.009 0.000 1.105 351 V CB -0.398 31.479 31.823 0.090 0.000 0.713 351 V HN 0.208 nan 8.190 nan 0.000 0.473 352 L N -0.210 120.943 121.223 -0.118 0.000 2.552 352 L HA 0.064 4.404 4.340 -0.000 0.000 0.227 352 L C 1.100 177.535 176.870 -0.726 0.000 1.146 352 L CA 0.065 54.688 54.840 -0.363 0.000 0.858 352 L CB -0.286 41.574 42.059 -0.331 0.000 0.969 352 L HN 0.239 nan 8.230 nan 0.000 0.451 353 S N -0.002 115.366 115.700 -0.554 0.000 2.560 353 S HA 0.302 4.772 4.470 -0.000 0.000 0.284 353 S C 1.219 175.545 174.600 -0.458 0.000 1.327 353 S CA 0.618 58.429 58.200 -0.647 0.000 1.055 353 S CB 1.058 64.153 63.200 -0.175 0.000 0.868 353 S HN 0.582 nan 8.310 nan 0.000 0.506 354 G N 1.782 110.317 108.800 -0.441 0.000 2.234 354 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.235 354 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.235 354 G C -0.015 174.738 174.900 -0.246 0.000 0.997 354 G CA -0.354 44.591 45.100 -0.258 0.000 0.623 354 G HN 0.587 nan 8.290 nan 0.000 0.514 355 L N 2.656 123.677 121.223 -0.337 0.000 2.313 355 L HA 0.287 4.627 4.340 -0.000 0.000 0.282 355 L C -0.102 176.660 176.870 -0.179 0.000 1.092 355 L CA -1.513 53.195 54.840 -0.221 0.000 0.831 355 L CB 1.246 43.191 42.059 -0.190 0.000 1.159 355 L HN 0.036 nan 8.230 nan 0.000 0.442 356 P HA -0.100 nan 4.420 nan 0.000 0.217 356 P C -0.089 177.185 177.300 -0.042 0.000 1.150 356 P CA 1.183 64.252 63.100 -0.053 0.000 0.832 356 P CB 0.523 32.203 31.700 -0.034 0.000 0.787 357 E N 0.049 120.221 120.200 -0.048 0.000 2.293 357 E HA 0.541 4.891 4.350 -0.000 0.000 0.270 357 E C -0.457 176.052 176.600 -0.150 0.000 0.879 357 E CA -0.820 55.529 56.400 -0.085 0.000 0.756 357 E CB 2.341 31.988 29.700 -0.089 0.000 1.208 357 E HN 0.080 nan 8.360 nan 0.000 0.428 358 I N -0.616 119.786 120.570 -0.280 0.000 2.468 358 I HA 0.489 4.659 4.170 -0.000 0.000 0.284 358 I C -0.680 175.026 176.117 -0.685 0.000 1.038 358 I CA -1.009 59.991 61.300 -0.500 0.000 1.083 358 I CB 1.163 39.020 38.000 -0.238 0.000 1.223 358 I HN 0.167 nan 8.210 nan 0.000 0.443 359 K N 6.249 125.714 120.400 -1.559 0.000 2.098 359 K HA 0.739 5.059 4.320 -0.000 0.000 0.257 359 K C -0.985 175.378 176.600 -0.395 0.000 0.999 359 K CA -0.686 54.983 56.287 -1.029 0.000 0.924 359 K CB 1.964 33.524 32.500 -1.568 0.000 1.028 359 K HN 0.569 nan 8.250 nan 0.000 0.466 360 L N 0.920 122.175 121.223 0.053 0.000 2.409 360 L HA 0.326 4.666 4.340 -0.000 0.000 0.272 360 L C 0.196 177.262 176.870 0.327 0.000 0.980 360 L CA -0.945 54.048 54.840 0.256 0.000 0.826 360 L CB 2.088 44.254 42.059 0.179 0.000 1.268 360 L HN 0.784 nan 8.230 nan 0.000 0.407 361 G N 2.247 111.257 108.800 0.351 0.000 2.389 361 G HA2 0.375 4.335 3.960 -0.000 0.000 0.287 361 G HA3 0.375 4.335 3.960 -0.000 0.000 0.287 361 G C 0.536 175.492 174.900 0.094 0.000 1.126 361 G CA -0.226 44.957 45.100 0.137 0.000 1.073 361 G HN 0.429 nan 8.290 nan 0.000 0.429 362 V N 2.405 122.340 119.914 0.035 0.000 2.627 362 V HA 0.120 4.240 4.120 -0.000 0.000 0.239 362 V C 1.485 177.587 176.094 0.013 0.000 1.077 362 V CA 0.926 63.243 62.300 0.028 0.000 1.103 362 V CB -0.143 31.699 31.823 0.032 0.000 0.802 362 V HN 0.522 nan 8.190 nan 0.000 0.482 363 S N -1.362 114.359 115.700 0.036 0.000 2.718 363 S HA 0.711 5.181 4.470 -0.000 0.000 0.300 363 S C -1.479 173.265 174.600 0.241 0.000 1.117 363 S CA -0.170 58.075 58.200 0.075 0.000 1.002 363 S CB 1.470 64.702 63.200 0.053 0.000 1.092 363 S HN 0.269 nan 8.310 nan 0.000 0.542 364 Y N 1.718 122.004 120.300 -0.022 0.000 2.329 364 Y HA 0.468 5.018 4.550 -0.000 0.000 0.328 364 Y C -0.325 175.555 175.900 -0.033 0.000 0.992 364 Y CA -1.521 56.558 58.100 -0.034 0.000 1.151 364 Y CB 0.988 39.429 38.460 -0.031 0.000 1.150 364 Y HN 0.541 nan 8.280 nan 0.000 0.450 365 N N 2.255 120.974 118.700 0.032 0.000 2.456 365 N HA 0.325 5.065 4.740 -0.000 0.000 0.296 365 N C -0.232 175.253 175.510 -0.041 0.000 1.102 365 N CA -0.643 52.407 53.050 0.001 0.000 0.924 365 N CB 1.068 39.551 38.487 -0.007 0.000 1.186 365 N HN 0.475 nan 8.380 nan 0.000 0.492 366 Q N 0.710 120.496 119.800 -0.023 0.000 2.500 366 Q HA 0.081 4.421 4.340 -0.000 0.000 0.215 366 Q C 1.215 177.192 176.000 -0.038 0.000 1.062 366 Q CA -0.199 55.584 55.803 -0.033 0.000 0.996 366 Q CB 0.407 29.136 28.738 -0.015 0.000 1.239 366 Q HN 0.668 nan 8.270 nan 0.000 0.578 367 M N -0.444 119.133 119.600 -0.038 0.000 2.435 367 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 367 M C 0.587 176.875 176.300 -0.020 0.000 1.065 367 M CA 2.127 57.408 55.300 -0.032 0.000 1.076 367 M CB -0.727 31.857 32.600 -0.028 0.000 1.403 367 M HN 0.572 nan 8.290 nan 0.000 0.454 368 D N -0.793 119.598 120.400 -0.015 0.000 2.394 368 D HA 0.396 5.036 4.640 -0.000 0.000 0.226 368 D C 1.372 177.669 176.300 -0.006 0.000 0.990 368 D CA 0.564 54.559 54.000 -0.008 0.000 0.902 368 D CB -0.085 40.712 40.800 -0.005 0.000 1.038 368 D HN 0.477 nan 8.370 nan 0.000 0.499 369 G N -0.253 108.543 108.800 -0.006 0.000 2.321 369 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.219 369 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.219 369 G C -0.757 174.146 174.900 0.004 0.000 1.057 369 G CA -0.637 44.462 45.100 -0.001 0.000 0.849 369 G HN 0.070 nan 8.290 nan 0.000 0.520 370 E N 0.994 121.196 120.200 0.004 0.000 2.133 370 E HA 0.253 4.603 4.350 -0.000 0.000 0.274 370 E C 0.033 176.644 176.600 0.019 0.000 0.930 370 E CA -0.633 55.773 56.400 0.011 0.000 0.770 370 E CB 1.717 31.422 29.700 0.008 0.000 1.104 370 E HN 0.358 nan 8.360 nan 0.000 0.403 371 K N 4.205 124.620 120.400 0.026 0.000 2.416 371 K HA 0.112 4.432 4.320 -0.000 0.000 0.283 371 K C -0.254 176.374 176.600 0.046 0.000 1.037 371 K CA -0.144 56.168 56.287 0.041 0.000 0.995 371 K CB 0.384 32.905 32.500 0.036 0.000 0.938 371 K HN 0.423 nan 8.250 nan 0.000 0.475 372 L N 4.618 125.883 121.223 0.069 0.000 2.326 372 L HA 0.092 4.432 4.340 -0.000 0.000 0.278 372 L C 1.098 178.002 176.870 0.056 0.000 1.092 372 L CA -0.525 54.355 54.840 0.067 0.000 0.810 372 L CB 1.317 43.435 42.059 0.099 0.000 1.153 372 L HN 0.687 nan 8.230 nan 0.000 0.439 373 Q N 0.849 120.675 119.800 0.044 0.000 2.311 373 Q HA 0.025 4.365 4.340 -0.000 0.000 0.203 373 Q C -0.043 175.986 176.000 0.049 0.000 0.954 373 Q CA 0.396 56.223 55.803 0.040 0.000 0.885 373 Q CB 0.398 29.157 28.738 0.035 0.000 0.963 373 Q HN 0.788 nan 8.270 nan 0.000 0.471 374 S N -1.777 113.958 115.700 0.059 0.000 2.618 374 S HA 0.459 4.929 4.470 -0.000 0.000 0.277 374 S C -0.924 173.720 174.600 0.074 0.000 1.138 374 S CA -1.045 57.207 58.200 0.087 0.000 0.844 374 S CB 0.743 64.012 63.200 0.116 0.000 1.127 374 S HN 0.128 nan 8.310 nan 0.000 0.474 375 F N 2.832 122.710 119.950 -0.120 0.000 2.543 375 F HA 0.398 4.925 4.527 -0.000 0.000 0.375 375 F C -2.296 173.410 175.800 -0.157 0.000 1.075 375 F CA -1.217 56.631 58.000 -0.252 0.000 1.225 375 F CB 0.063 38.634 39.000 -0.714 0.000 1.099 375 F HN 0.328 nan 8.300 nan 0.000 0.561 376 P HA 0.143 nan 4.420 nan 0.000 0.268 376 P C 0.318 177.522 177.300 -0.161 0.000 1.204 376 P CA 0.229 63.169 63.100 -0.268 0.000 0.768 376 P CB 1.092 32.626 31.700 -0.275 0.000 0.842 377 G N 2.765 111.567 108.800 0.002 0.000 2.473 377 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.212 377 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.212 377 G C 0.044 175.001 174.900 0.095 0.000 1.211 377 G CA 0.041 45.196 45.100 0.093 0.000 0.813 377 G HN 0.638 nan 8.290 nan 0.000 0.541 378 D N 1.603 122.041 120.400 0.063 0.000 2.414 378 D HA 0.032 4.672 4.640 -0.000 0.000 0.242 378 D C 1.974 178.316 176.300 0.070 0.000 1.129 378 D CA -0.334 53.713 54.000 0.078 0.000 0.885 378 D CB 1.288 42.120 40.800 0.054 0.000 1.198 378 D HN 0.379 nan 8.370 nan 0.000 0.437 379 L N -0.585 120.706 121.223 0.114 0.000 2.201 379 L HA -0.063 4.277 4.340 -0.000 0.000 0.212 379 L C 1.172 178.079 176.870 0.061 0.000 1.105 379 L CA 1.078 55.988 54.840 0.116 0.000 0.775 379 L CB -0.613 41.569 42.059 0.206 0.000 0.913 379 L HN 0.161 nan 8.230 nan 0.000 0.440 380 D N 0.938 121.369 120.400 0.052 0.000 2.116 380 D HA -0.184 4.456 4.640 -0.000 0.000 0.193 380 D C 2.098 178.397 176.300 -0.001 0.000 0.998 380 D CA 2.334 56.351 54.000 0.028 0.000 0.836 380 D CB -0.098 40.718 40.800 0.026 0.000 0.951 380 D HN 0.347 nan 8.370 nan 0.000 0.449 381 T N -0.041 114.505 114.554 -0.014 0.000 2.896 381 T HA -0.027 4.323 4.350 -0.000 0.000 0.263 381 T C 1.723 176.373 174.700 -0.083 0.000 1.050 381 T CA 0.154 62.228 62.100 -0.043 0.000 1.140 381 T CB -0.167 68.677 68.868 -0.040 0.000 0.877 381 T HN 0.002 nan 8.240 nan 0.000 0.457 382 L N 1.594 122.766 121.223 -0.086 0.000 2.083 382 L HA 0.050 4.390 4.340 -0.000 0.000 0.209 382 L C 2.122 178.925 176.870 -0.112 0.000 1.083 382 L CA 1.765 56.524 54.840 -0.135 0.000 0.752 382 L CB -0.422 41.574 42.059 -0.104 0.000 0.899 382 L HN 0.069 nan 8.230 nan 0.000 0.433 383 E N -0.701 119.467 120.200 -0.053 0.000 2.511 383 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 383 E C 1.231 177.795 176.600 -0.060 0.000 1.066 383 E CA 0.380 56.754 56.400 -0.043 0.000 0.871 383 E CB -0.001 29.692 29.700 -0.011 0.000 0.863 383 E HN 0.578 nan 8.360 nan 0.000 0.520 384 Q N 0.178 119.930 119.800 -0.080 0.000 2.217 384 Q HA 0.199 4.539 4.340 -0.000 0.000 0.340 384 Q C -1.005 174.927 176.000 -0.114 0.000 0.893 384 Q CA -0.341 55.416 55.803 -0.076 0.000 1.142 384 Q CB 0.768 29.476 28.738 -0.050 0.000 1.288 384 Q HN 0.141 nan 8.270 nan 0.000 0.426 385 V N -2.053 117.753 119.914 -0.180 0.000 2.834 385 V HA 0.509 4.629 4.120 -0.000 0.000 0.313 385 V C -0.520 175.445 176.094 -0.215 0.000 1.060 385 V CA -0.923 61.221 62.300 -0.260 0.000 0.989 385 V CB 1.773 33.271 31.823 -0.543 0.000 1.041 385 V HN 0.297 nan 8.190 nan 0.000 0.459 386 Q N 2.127 121.816 119.800 -0.184 0.000 2.431 386 Q HA 0.520 4.860 4.340 -0.000 0.000 0.249 386 Q C -1.090 174.828 176.000 -0.137 0.000 1.025 386 Q CA -0.562 55.173 55.803 -0.114 0.000 0.835 386 Q CB 1.548 30.250 28.738 -0.059 0.000 1.207 386 Q HN 0.828 nan 8.270 nan 0.000 0.490 387 V N 3.951 123.766 119.914 -0.165 0.000 2.715 387 V HA 0.076 4.196 4.120 -0.000 0.000 0.299 387 V C -0.068 175.864 176.094 -0.270 0.000 1.054 387 V CA -0.079 62.086 62.300 -0.226 0.000 1.077 387 V CB 0.898 32.508 31.823 -0.356 0.000 0.972 387 V HN 0.789 nan 8.190 nan 0.000 0.484 388 N N 3.391 121.955 118.700 -0.226 0.000 2.558 388 N HA 0.452 5.192 4.740 -0.000 0.000 0.242 388 N C -1.033 174.367 175.510 -0.184 0.000 0.979 388 N CA -0.488 52.480 53.050 -0.137 0.000 0.931 388 N CB 0.773 39.245 38.487 -0.024 0.000 1.122 388 N HN 0.569 nan 8.380 nan 0.000 0.508 389 Y N 0.904 121.235 120.300 0.050 0.000 2.240 389 Y HA 0.230 4.780 4.550 -0.000 0.000 0.341 389 Y C 0.801 176.693 175.900 -0.013 0.000 1.326 389 Y CA -0.367 57.737 58.100 0.007 0.000 1.569 389 Y CB 0.663 39.088 38.460 -0.058 0.000 1.426 389 Y HN 0.373 nan 8.280 nan 0.000 0.587 390 E N 0.696 120.995 120.200 0.164 0.000 2.642 390 E HA 0.300 4.650 4.350 -0.000 0.000 0.284 390 E C -1.844 174.763 176.600 0.012 0.000 1.039 390 E CA -0.447 55.996 56.400 0.072 0.000 0.777 390 E CB 1.320 31.060 29.700 0.068 0.000 1.473 390 E HN 0.477 nan 8.360 nan 0.000 0.388 391 V N 5.972 125.868 119.914 -0.029 0.000 2.585 391 V HA 0.295 4.415 4.120 -0.000 0.000 0.296 391 V C -0.549 175.526 176.094 -0.032 0.000 1.035 391 V CA 0.411 62.655 62.300 -0.094 0.000 1.084 391 V CB 0.392 32.157 31.823 -0.097 0.000 0.953 391 V HN 0.617 nan 8.190 nan 0.000 0.483 392 L N 6.759 127.963 121.223 -0.031 0.000 2.341 392 L HA 0.572 4.912 4.340 -0.000 0.000 0.267 392 L C -2.470 174.422 176.870 0.037 0.000 1.009 392 L CA -2.180 52.687 54.840 0.045 0.000 0.819 392 L CB 2.399 44.547 42.059 0.148 0.000 1.323 392 L HN 0.432 nan 8.230 nan 0.000 0.425 393 P HA 0.078 nan 4.420 nan 0.000 0.267 393 P C -0.140 177.250 177.300 0.151 0.000 1.209 393 P CA 0.069 63.219 63.100 0.082 0.000 0.763 393 P CB 0.753 32.502 31.700 0.082 0.000 0.816 394 G N 2.351 111.219 108.800 0.113 0.000 2.510 394 G HA2 0.609 4.569 3.960 -0.000 0.000 0.280 394 G HA3 0.609 4.569 3.960 -0.000 0.000 0.280 394 G C -1.412 173.676 174.900 0.312 0.000 1.386 394 G CA -0.701 44.482 45.100 0.138 0.000 1.047 394 G HN 0.653 nan 8.290 nan 0.000 0.527 395 W N -1.973 119.301 121.300 -0.043 0.000 3.146 395 W HA 0.600 5.260 4.660 -0.000 0.000 0.319 395 W C -1.688 174.814 176.519 -0.027 0.000 1.258 395 W CA -1.113 56.213 57.345 -0.031 0.000 1.189 395 W CB 1.216 30.658 29.460 -0.030 0.000 1.412 395 W HN 0.339 nan 8.180 nan 0.000 0.567 396 D N 2.807 123.281 120.400 0.124 0.000 2.460 396 D HA 0.306 4.946 4.640 -0.000 0.000 0.268 396 D C -1.070 175.306 176.300 0.127 0.000 1.153 396 D CA -0.141 53.872 54.000 0.021 0.000 0.929 396 D CB 1.511 42.316 40.800 0.009 0.000 1.015 396 D HN 0.331 nan 8.370 nan 0.000 0.502 397 S N 1.348 117.178 115.700 0.217 0.000 2.652 397 S HA 0.068 4.538 4.470 -0.000 0.000 0.273 397 S C -1.316 173.412 174.600 0.212 0.000 1.172 397 S CA -0.801 57.532 58.200 0.221 0.000 1.009 397 S CB 1.544 64.896 63.200 0.254 0.000 1.094 397 S HN 0.267 nan 8.310 nan 0.000 0.471 398 D N 3.766 124.236 120.400 0.116 0.000 2.368 398 D HA 0.126 4.766 4.640 -0.000 0.000 0.268 398 D C 1.332 177.697 176.300 0.108 0.000 1.298 398 D CA 0.146 54.203 54.000 0.096 0.000 0.938 398 D CB 0.242 41.074 40.800 0.054 0.000 1.101 398 D HN 0.611 nan 8.370 nan 0.000 0.509 399 I N 0.898 121.552 120.570 0.141 0.000 3.941 399 I HA 0.116 4.286 4.170 -0.000 0.000 0.335 399 I C 1.259 177.426 176.117 0.084 0.000 1.402 399 I CA -0.356 61.011 61.300 0.111 0.000 1.112 399 I CB 0.028 38.111 38.000 0.139 0.000 1.043 399 I HN 0.233 nan 8.210 nan 0.000 0.395 400 S N 0.850 116.595 115.700 0.075 0.000 2.641 400 S HA -0.060 4.410 4.470 -0.000 0.000 0.239 400 S C 1.510 176.135 174.600 0.042 0.000 0.972 400 S CA 0.802 59.035 58.200 0.055 0.000 0.954 400 S CB -0.686 62.538 63.200 0.041 0.000 0.767 400 S HN 0.710 nan 8.310 nan 0.000 0.539 401 S N -0.505 115.220 115.700 0.042 0.000 2.549 401 S HA 0.296 4.766 4.470 -0.000 0.000 0.225 401 S C 0.242 174.863 174.600 0.036 0.000 1.039 401 S CA -0.278 57.943 58.200 0.035 0.000 0.942 401 S CB -0.227 62.991 63.200 0.029 0.000 0.881 401 S HN 0.262 nan 8.310 nan 0.000 0.503 402 V N 3.942 123.878 119.914 0.036 0.000 2.450 402 V HA 0.249 4.369 4.120 -0.000 0.000 0.281 402 V C 1.161 177.284 176.094 0.048 0.000 1.019 402 V CA -0.076 62.241 62.300 0.029 0.000 1.062 402 V CB 0.241 32.069 31.823 0.010 0.000 0.979 402 V HN 0.383 nan 8.190 nan 0.000 0.477 403 R N 1.933 122.467 120.500 0.057 0.000 2.250 403 R HA 0.237 4.577 4.340 -0.000 0.000 0.194 403 R C 0.713 177.080 176.300 0.111 0.000 0.927 403 R CA 0.146 56.298 56.100 0.087 0.000 1.052 403 R CB 0.282 30.634 30.300 0.088 0.000 1.055 403 R HN 0.593 nan 8.270 nan 0.000 0.537 404 S N 0.302 116.053 115.700 0.085 0.000 2.617 404 S HA 0.174 4.644 4.470 -0.000 0.000 0.283 404 S C 0.316 174.979 174.600 0.105 0.000 1.189 404 S CA -0.598 57.663 58.200 0.102 0.000 1.036 404 S CB 1.359 64.599 63.200 0.066 0.000 1.014 404 S HN 0.180 nan 8.310 nan 0.000 0.522 405 Y N 2.797 123.108 120.300 0.018 0.000 2.200 405 Y HA -0.149 4.401 4.550 -0.000 0.000 0.290 405 Y C 2.545 178.434 175.900 -0.019 0.000 1.137 405 Y CA 2.057 60.155 58.100 -0.003 0.000 1.163 405 Y CB -0.698 37.759 38.460 -0.006 0.000 0.988 405 Y HN 0.729 nan 8.280 nan 0.000 0.518 406 S N -0.355 115.302 115.700 -0.072 0.000 2.442 406 S HA -0.199 4.271 4.470 -0.000 0.000 0.236 406 S C 1.517 176.017 174.600 -0.167 0.000 1.007 406 S CA 1.410 59.526 58.200 -0.141 0.000 0.965 406 S CB -0.533 62.652 63.200 -0.025 0.000 0.773 406 S HN 0.636 nan 8.310 nan 0.000 0.504 407 E N 0.791 120.916 120.200 -0.125 0.000 2.478 407 E HA 0.159 4.509 4.350 -0.000 0.000 0.198 407 E C 0.105 176.615 176.600 -0.150 0.000 1.046 407 E CA -0.018 56.320 56.400 -0.103 0.000 0.870 407 E CB -0.202 29.469 29.700 -0.048 0.000 0.818 407 E HN 0.559 nan 8.360 nan 0.000 0.527 408 L N 1.691 122.764 121.223 -0.249 0.000 2.453 408 L HA 0.187 4.527 4.340 -0.000 0.000 0.261 408 L C -2.047 174.636 176.870 -0.312 0.000 1.179 408 L CA -2.055 52.607 54.840 -0.297 0.000 0.813 408 L CB -0.030 41.787 42.059 -0.405 0.000 1.110 408 L HN -0.238 nan 8.230 nan 0.000 0.466 409 P HA -0.009 nan 4.420 nan 0.000 0.269 409 P C -0.023 177.080 177.300 -0.328 0.000 1.215 409 P CA -0.179 62.717 63.100 -0.340 0.000 0.780 409 P CB 0.550 31.944 31.700 -0.511 0.000 0.898 410 Q N 2.176 121.852 119.800 -0.208 0.000 2.124 410 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 410 Q C 1.718 177.632 176.000 -0.143 0.000 0.977 410 Q CA 1.902 57.614 55.803 -0.151 0.000 0.850 410 Q CB -0.470 28.218 28.738 -0.083 0.000 0.901 410 Q HN 0.547 nan 8.270 nan 0.000 0.429 411 A N 0.121 122.849 122.820 -0.152 0.000 2.014 411 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 411 A C 2.111 179.572 177.584 -0.204 0.000 1.163 411 A CA 1.301 53.291 52.037 -0.078 0.000 0.652 411 A CB -0.536 18.504 19.000 0.067 0.000 0.808 411 A HN 0.517 nan 8.150 nan 0.000 0.449 412 A N -0.059 122.397 122.820 -0.607 0.000 1.898 412 A HA -0.023 4.297 4.320 -0.000 0.000 0.214 412 A C 2.208 179.651 177.584 -0.236 0.000 1.183 412 A CA 1.088 52.642 52.037 -0.805 0.000 0.622 412 A CB -0.343 17.867 19.000 -1.317 0.000 0.824 412 A HN 0.505 nan 8.150 nan 0.000 0.444 413 R N -0.810 119.554 120.500 -0.227 0.000 2.075 413 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 413 R C 2.367 178.699 176.300 0.054 0.000 1.126 413 R CA 1.515 57.566 56.100 -0.082 0.000 0.963 413 R CB -0.278 29.898 30.300 -0.207 0.000 0.858 413 R HN 0.428 nan 8.270 nan 0.000 0.435 414 R N 0.336 120.851 120.500 0.025 0.000 2.127 414 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 414 R C 1.844 178.225 176.300 0.135 0.000 1.134 414 R CA 1.398 57.540 56.100 0.071 0.000 0.975 414 R CB -0.707 29.628 30.300 0.058 0.000 0.865 414 R HN 0.275 nan 8.270 nan 0.000 0.447 415 Y N 0.429 120.746 120.300 0.028 0.000 2.109 415 Y HA -0.176 4.373 4.550 -0.000 0.000 0.285 415 Y C 2.146 178.100 175.900 0.090 0.000 1.131 415 Y CA 2.016 60.167 58.100 0.085 0.000 1.121 415 Y CB -0.674 37.875 38.460 0.148 0.000 0.987 415 Y HN -0.001 nan 8.280 nan 0.000 0.495 416 V N -1.062 118.897 119.914 0.074 0.000 2.332 416 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 416 V C 1.834 177.906 176.094 -0.037 0.000 1.055 416 V CA 2.350 64.642 62.300 -0.012 0.000 1.038 416 V CB -0.938 30.952 31.823 0.113 0.000 0.651 416 V HN 0.492 nan 8.190 nan 0.000 0.450 417 E N 0.380 120.594 120.200 0.023 0.000 2.110 417 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 417 E C 2.359 178.948 176.600 -0.018 0.000 0.988 417 E CA 1.461 57.869 56.400 0.014 0.000 0.804 417 E CB -0.248 29.483 29.700 0.051 0.000 0.745 417 E HN 0.525 nan 8.360 nan 0.000 0.458 418 R N 1.132 121.614 120.500 -0.031 0.000 2.115 418 R HA -0.042 4.298 4.340 -0.000 0.000 0.230 418 R C 1.838 178.092 176.300 -0.077 0.000 1.111 418 R CA 0.986 57.064 56.100 -0.036 0.000 0.976 418 R CB -0.285 30.008 30.300 -0.012 0.000 0.870 418 R HN 0.181 nan 8.270 nan 0.000 0.445 419 I N 0.941 121.423 120.570 -0.146 0.000 2.162 419 I HA -0.239 3.931 4.170 -0.000 0.000 0.238 419 I C 2.081 178.149 176.117 -0.082 0.000 1.076 419 I CA 1.758 62.970 61.300 -0.147 0.000 1.353 419 I CB -0.556 37.308 38.000 -0.227 0.000 1.063 419 I HN 0.319 nan 8.210 nan 0.000 0.408 420 E N 1.197 121.353 120.200 -0.072 0.000 2.331 420 E HA -0.293 4.057 4.350 -0.000 0.000 0.199 420 E C 1.823 178.402 176.600 -0.036 0.000 1.008 420 E CA 1.357 57.726 56.400 -0.051 0.000 0.843 420 E CB -0.329 29.342 29.700 -0.047 0.000 0.761 420 E HN 0.607 nan 8.360 nan 0.000 0.507 421 E N 0.978 121.158 120.200 -0.032 0.000 2.060 421 E HA -0.055 4.295 4.350 -0.000 0.000 0.189 421 E C 2.137 178.727 176.600 -0.017 0.000 0.974 421 E CA 0.457 56.846 56.400 -0.020 0.000 0.808 421 E CB 0.059 29.752 29.700 -0.013 0.000 0.768 421 E HN 0.292 nan 8.360 nan 0.000 0.453 422 L N 0.291 121.502 121.223 -0.020 0.000 2.109 422 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 422 L C 2.471 179.332 176.870 -0.014 0.000 1.086 422 L CA 0.936 55.768 54.840 -0.013 0.000 0.760 422 L CB -0.213 41.840 42.059 -0.010 0.000 0.910 422 L HN 0.206 nan 8.230 nan 0.000 0.437 423 A N -0.816 121.992 122.820 -0.020 0.000 2.016 423 A HA 0.157 4.477 4.320 -0.000 0.000 0.217 423 A C 2.008 179.584 177.584 -0.013 0.000 1.162 423 A CA 1.202 53.230 52.037 -0.015 0.000 0.662 423 A CB -0.416 18.570 19.000 -0.023 0.000 0.812 423 A HN 0.513 nan 8.150 nan 0.000 0.450 424 G N -1.707 107.082 108.800 -0.018 0.000 2.284 424 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.247 424 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.247 424 G C 0.469 175.357 174.900 -0.020 0.000 1.012 424 G CA 0.611 45.701 45.100 -0.018 0.000 0.618 424 G HN 1.653 nan 8.290 nan 0.000 0.521 425 V N -0.378 119.523 119.914 -0.021 0.000 2.427 425 V HA 0.775 4.895 4.120 -0.000 0.000 0.286 425 V C -1.429 174.627 176.094 -0.064 0.000 1.034 425 V CA -2.250 60.030 62.300 -0.034 0.000 0.893 425 V CB 1.628 33.449 31.823 -0.004 0.000 0.982 425 V HN 0.257 nan 8.190 nan 0.000 0.452 426 P HA 0.203 nan 4.420 nan 0.000 0.272 426 P C -0.552 176.673 177.300 -0.126 0.000 1.230 426 P CA -0.091 62.965 63.100 -0.073 0.000 0.788 426 P CB 1.302 32.999 31.700 -0.003 0.000 0.949 427 V N 3.171 123.056 119.914 -0.048 0.000 2.394 427 V HA 0.142 4.262 4.120 -0.000 0.000 0.282 427 V C 0.875 176.995 176.094 0.044 0.000 1.031 427 V CA -0.041 62.229 62.300 -0.050 0.000 0.881 427 V CB 0.488 32.281 31.823 -0.050 0.000 0.982 427 V HN 0.609 nan 8.190 nan 0.000 0.451 428 H N 3.058 121.937 119.070 -0.318 0.000 2.885 428 H HA 0.340 4.896 4.556 -0.000 0.000 0.260 428 H C -0.775 173.967 175.328 -0.976 0.000 0.985 428 H CA -0.132 55.517 56.048 -0.665 0.000 1.210 428 H CB 0.375 29.615 29.762 -0.871 0.000 1.466 428 H HN 0.612 nan 8.280 nan 0.000 0.493 429 Y N -0.154 120.151 120.300 0.008 0.000 2.421 429 Y HA 0.504 5.054 4.550 0.000 0.000 0.339 429 Y C -0.625 175.228 175.900 -0.078 0.000 0.996 429 Y CA -0.918 57.111 58.100 -0.117 0.000 1.046 429 Y CB 2.175 40.554 38.460 -0.136 0.000 1.226 429 Y HN -0.211 nan 8.280 nan 0.000 0.445 430 I N 2.665 123.261 120.570 0.043 0.000 2.439 430 I HA 0.472 4.642 4.170 -0.000 0.000 0.283 430 I C 0.267 176.420 176.117 0.060 0.000 1.023 430 I CA -0.765 60.579 61.300 0.074 0.000 1.100 430 I CB 1.854 39.923 38.000 0.115 0.000 1.238 430 I HN 0.877 nan 8.210 nan 0.000 0.445 431 G N 4.687 113.527 108.800 0.067 0.000 2.355 431 G HA2 0.444 4.404 3.960 -0.000 0.000 0.276 431 G HA3 0.444 4.404 3.960 -0.000 0.000 0.276 431 G C 0.453 175.405 174.900 0.087 0.000 1.198 431 G CA -0.276 44.859 45.100 0.058 0.000 0.876 431 G HN 0.589 nan 8.290 nan 0.000 0.478 432 V N 0.358 120.318 119.914 0.077 0.000 2.991 432 V HA 0.764 4.884 4.120 -0.000 0.000 0.355 432 V C 0.525 176.660 176.094 0.068 0.000 1.384 432 V CA -0.039 62.316 62.300 0.092 0.000 1.171 432 V CB -0.150 31.729 31.823 0.093 0.000 1.190 432 V HN 1.299 nan 8.190 nan 0.000 0.540 433 G N 0.661 109.491 108.800 0.051 0.000 2.384 433 G HA2 0.440 4.400 3.960 -0.000 0.000 0.300 433 G HA3 0.440 4.400 3.960 -0.000 0.000 0.300 433 G C -2.615 172.286 174.900 0.001 0.000 1.582 433 G CA 0.113 45.225 45.100 0.020 0.000 0.875 433 G HN -0.063 nan 8.290 nan 0.000 0.628 434 P HA 0.079 nan 4.420 nan 0.000 0.223 434 P C 1.305 178.548 177.300 -0.095 0.000 1.151 434 P CA 1.045 64.114 63.100 -0.052 0.000 0.787 434 P CB 0.213 31.843 31.700 -0.117 0.000 0.788 435 G N 0.791 109.497 108.800 -0.157 0.000 2.554 435 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.238 435 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.238 435 G C 1.052 175.977 174.900 0.042 0.000 1.259 435 G CA -0.407 44.635 45.100 -0.098 0.000 0.843 435 G HN 0.098 nan 8.290 nan 0.000 0.582 436 R N 0.340 120.905 120.500 0.108 0.000 2.127 436 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 436 R C 1.690 178.057 176.300 0.111 0.000 1.134 436 R CA 1.994 58.173 56.100 0.132 0.000 0.975 436 R CB -0.161 30.235 30.300 0.160 0.000 0.865 436 R HN 0.687 nan 8.270 nan 0.000 0.447 437 D N -0.236 120.219 120.400 0.092 0.000 2.249 437 D HA 0.005 4.645 4.640 -0.000 0.000 0.205 437 D C 0.342 176.692 176.300 0.084 0.000 0.962 437 D CA 0.717 54.774 54.000 0.094 0.000 0.860 437 D CB 0.122 40.968 40.800 0.077 0.000 0.955 437 D HN 0.311 nan 8.370 nan 0.000 0.505 438 A N 0.544 123.398 122.820 0.056 0.000 3.004 438 A HA 0.365 4.685 4.320 -0.000 0.000 0.252 438 A C -0.373 177.235 177.584 0.040 0.000 1.802 438 A CA 0.002 52.066 52.037 0.045 0.000 1.424 438 A CB -0.831 18.184 19.000 0.025 0.000 1.005 438 A HN 0.305 nan 8.150 nan 0.000 0.631 439 L N 0.798 122.044 121.223 0.039 0.000 2.436 439 L HA 0.615 4.955 4.340 -0.000 0.000 0.268 439 L C -0.830 175.994 176.870 -0.077 0.000 0.974 439 L CA -0.355 54.462 54.840 -0.039 0.000 0.826 439 L CB 1.702 43.699 42.059 -0.103 0.000 1.291 439 L HN 0.356 nan 8.230 nan 0.000 0.406 440 I N 4.660 125.182 120.570 -0.080 0.000 2.392 440 I HA 0.311 4.481 4.170 -0.000 0.000 0.295 440 I C -1.042 174.984 176.117 -0.152 0.000 0.985 440 I CA -0.571 60.728 61.300 -0.001 0.000 1.221 440 I CB 1.141 39.207 38.000 0.109 0.000 1.366 440 I HN 0.501 nan 8.210 nan 0.000 0.467 441 Y N 5.731 126.065 120.300 0.056 0.000 2.328 441 Y HA 0.428 4.978 4.550 -0.000 0.000 0.337 441 Y C 0.269 176.078 175.900 -0.152 0.000 1.008 441 Y CA -0.409 57.657 58.100 -0.056 0.000 1.129 441 Y CB 1.292 39.731 38.460 -0.036 0.000 1.185 441 Y HN 0.475 nan 8.280 nan 0.000 0.476 442 K N 0.000 120.283 120.400 -0.196 0.000 2.780 442 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 442 K CA 0.000 56.059 56.287 -0.379 0.000 0.838 442 K CB 0.000 32.172 32.500 -0.546 0.000 1.064 442 K HN 0.000 nan 8.250 nan 0.000 0.543