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 1nto_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRAVRLVEIG KPLSLQEIGV PKPKGPQVLI KVEAAGVCHS DVHMRQGRFG DATA SEQUENCE NLRIVEDLGV KLPVTLGHEI AGKIEEVGDE VVGYSKGDLV AVNPWQGEGN DATA SEQUENCE CYYCRIGEEH LCDSPRWLGI NFDGAYAEYV IVPHYKYMYK LRRLNAVEAA DATA SEQUENCE PLTCSGITTY RAVRKASLDP TKTLLVVGAG GGLGTMAVQI AKAVSGATII DATA SEQUENCE GVDVREEAVE AAKRAGADYV INASMQDPLA EIRRITESKG VDAVIDLNYS DATA SEQUENCE EKTLSVYPKA LAKQGKYVMV GLFGADLHYH APLITLSEIQ FVGSLVGNQS DATA SEQUENCE DFLGIMRLAE AGKVKPMITK TMKLEEANEA IDNLENFKAI GRQVLIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.350 176.300 0.084 0.000 1.140 1 M CA 0.000 55.373 55.300 0.121 0.000 0.988 1 M CB 0.000 32.736 32.600 0.226 0.000 1.302 2 R N 1.261 121.804 120.500 0.072 0.000 2.441 2 R HA 0.865 5.205 4.340 -0.000 0.000 0.284 2 R C -0.682 175.652 176.300 0.056 0.000 1.070 2 R CA -0.263 55.866 56.100 0.049 0.000 1.047 2 R CB 1.560 31.877 30.300 0.028 0.000 1.016 2 R HN 0.799 nan 8.270 nan 0.000 0.477 3 A N 2.060 124.913 122.820 0.055 0.000 2.488 3 A HA 0.373 4.693 4.320 -0.000 0.000 0.295 3 A C -1.008 176.622 177.584 0.077 0.000 1.045 3 A CA -0.711 51.369 52.037 0.072 0.000 0.703 3 A CB 1.633 20.676 19.000 0.072 0.000 1.271 3 A HN 0.411 nan 8.150 nan 0.000 0.400 4 V N 3.664 123.648 119.914 0.117 0.000 2.385 4 V HA 0.495 4.615 4.120 -0.000 0.000 0.269 4 V C 0.267 176.452 176.094 0.152 0.000 1.043 4 V CA -0.098 62.281 62.300 0.132 0.000 0.906 4 V CB 0.596 32.511 31.823 0.153 0.000 0.995 4 V HN 0.906 nan 8.190 nan 0.000 0.467 5 R N 3.926 124.482 120.500 0.093 0.000 2.854 5 R HA 0.620 4.960 4.340 -0.000 0.000 0.271 5 R C -1.253 175.076 176.300 0.048 0.000 0.994 5 R CA -1.174 54.961 56.100 0.059 0.000 0.945 5 R CB 2.132 32.454 30.300 0.037 0.000 1.194 5 R HN 0.488 nan 8.270 nan 0.000 0.476 6 L N 2.633 123.873 121.223 0.029 0.000 2.334 6 L HA 0.167 4.506 4.340 -0.000 0.000 0.286 6 L C 0.130 177.010 176.870 0.017 0.000 1.108 6 L CA 0.258 55.114 54.840 0.027 0.000 0.875 6 L CB 1.165 43.237 42.059 0.022 0.000 1.246 6 L HN 0.611 nan 8.230 nan 0.000 0.439 7 V N 3.290 123.216 119.914 0.019 0.000 3.471 7 V HA 0.241 4.361 4.120 -0.000 0.000 0.258 7 V C 0.627 176.728 176.094 0.011 0.000 1.192 7 V CA 0.321 62.628 62.300 0.012 0.000 1.116 7 V CB -0.563 31.268 31.823 0.013 0.000 0.792 7 V HN 0.824 nan 8.190 nan 0.000 0.459 8 E N -0.013 120.197 120.200 0.016 0.000 2.397 8 E HA 0.325 4.675 4.350 -0.000 0.000 0.293 8 E C -1.016 175.597 176.600 0.022 0.000 0.930 8 E CA -0.620 55.789 56.400 0.016 0.000 0.793 8 E CB 1.729 31.437 29.700 0.014 0.000 1.259 8 E HN 0.235 nan 8.360 nan 0.000 0.406 9 I N 2.994 123.578 120.570 0.023 0.000 3.094 9 I HA 0.007 4.176 4.170 -0.000 0.000 0.291 9 I C 1.696 177.831 176.117 0.030 0.000 1.250 9 I CA 1.762 63.081 61.300 0.030 0.000 1.401 9 I CB 0.171 38.189 38.000 0.031 0.000 1.343 9 I HN 1.035 nan 8.210 nan 0.000 0.599 10 G N 2.259 111.081 108.800 0.036 0.000 2.855 10 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.231 10 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.231 10 G C 0.656 175.574 174.900 0.031 0.000 1.242 10 G CA 0.601 45.721 45.100 0.034 0.000 0.789 10 G HN 0.941 nan 8.290 nan 0.000 0.517 11 K N 3.437 123.853 120.400 0.027 0.000 2.382 11 K HA 0.607 4.927 4.320 -0.000 0.000 0.275 11 K C -0.959 175.658 176.600 0.029 0.000 1.009 11 K CA -0.486 55.816 56.287 0.025 0.000 0.970 11 K CB -0.604 31.909 32.500 0.022 0.000 0.934 11 K HN 0.619 nan 8.250 nan 0.000 0.479 12 P HA 0.081 nan 4.420 nan 0.000 0.270 12 P C -0.264 177.058 177.300 0.036 0.000 1.227 12 P CA -0.400 62.718 63.100 0.030 0.000 0.788 12 P CB 0.331 32.045 31.700 0.024 0.000 0.926 13 L N 0.500 121.752 121.223 0.048 0.000 2.483 13 L HA 0.139 4.479 4.340 -0.000 0.000 0.275 13 L C 1.210 178.109 176.870 0.048 0.000 1.220 13 L CA 0.379 55.256 54.840 0.061 0.000 0.833 13 L CB 0.027 42.147 42.059 0.101 0.000 1.102 13 L HN 0.442 nan 8.230 nan 0.000 0.490 14 S N 2.471 118.199 115.700 0.047 0.000 2.519 14 S HA 0.433 4.903 4.470 -0.000 0.000 0.309 14 S C -0.749 173.875 174.600 0.039 0.000 1.100 14 S CA -0.833 57.388 58.200 0.035 0.000 1.059 14 S CB 1.273 64.489 63.200 0.027 0.000 1.008 14 S HN 0.416 nan 8.310 nan 0.000 0.478 15 L N 5.299 126.540 121.223 0.030 0.000 2.418 15 L HA 0.452 4.792 4.340 -0.000 0.000 0.274 15 L C -0.101 176.784 176.870 0.026 0.000 1.135 15 L CA 0.978 55.835 54.840 0.029 0.000 0.870 15 L CB 0.393 42.463 42.059 0.018 0.000 1.154 15 L HN 0.795 nan 8.230 nan 0.000 0.462 16 Q N 2.609 122.428 119.800 0.031 0.000 2.496 16 Q HA 0.451 4.791 4.340 -0.000 0.000 0.286 16 Q C -1.191 174.826 176.000 0.029 0.000 1.103 16 Q CA -0.872 54.947 55.803 0.027 0.000 0.813 16 Q CB 2.129 30.883 28.738 0.026 0.000 1.444 16 Q HN 0.544 nan 8.270 nan 0.000 0.443 17 E N 1.971 122.186 120.200 0.025 0.000 2.489 17 E HA 0.296 4.646 4.350 -0.000 0.000 0.232 17 E C -1.227 175.389 176.600 0.026 0.000 0.990 17 E CA -0.285 56.132 56.400 0.028 0.000 0.768 17 E CB 0.065 29.779 29.700 0.023 0.000 1.270 17 E HN 0.522 nan 8.360 nan 0.000 0.423 18 I N -0.394 120.196 120.570 0.033 0.000 3.076 18 I HA 0.856 5.026 4.170 -0.000 0.000 0.313 18 I C 0.712 176.845 176.117 0.025 0.000 1.053 18 I CA -1.446 59.870 61.300 0.026 0.000 1.048 18 I CB 1.556 39.572 38.000 0.027 0.000 1.264 18 I HN 0.386 nan 8.210 nan 0.000 0.498 19 G N 1.543 110.351 108.800 0.013 0.000 2.467 19 G HA2 0.430 4.389 3.960 -0.000 0.000 0.257 19 G HA3 0.430 4.389 3.960 -0.000 0.000 0.257 19 G C -0.388 174.510 174.900 -0.003 0.000 1.227 19 G CA -0.493 44.607 45.100 -0.000 0.000 0.835 19 G HN 0.488 nan 8.290 nan 0.000 0.556 20 V N 4.404 124.295 119.914 -0.038 0.000 2.387 20 V HA 0.109 4.229 4.120 -0.000 0.000 0.260 20 V C -1.405 174.645 176.094 -0.074 0.000 1.054 20 V CA -1.018 61.233 62.300 -0.082 0.000 0.967 20 V CB 0.478 32.151 31.823 -0.250 0.000 1.036 20 V HN 0.607 nan 8.190 nan 0.000 0.481 21 P HA 0.110 nan 4.420 nan 0.000 0.267 21 P C -0.483 176.793 177.300 -0.039 0.000 1.201 21 P CA -0.287 62.801 63.100 -0.020 0.000 0.775 21 P CB 0.448 32.154 31.700 0.010 0.000 0.854 22 K N 3.197 123.581 120.400 -0.027 0.000 2.265 22 K HA 0.351 4.671 4.320 -0.000 0.000 0.267 22 K C -2.422 174.170 176.600 -0.012 0.000 0.994 22 K CA -2.449 53.820 56.287 -0.030 0.000 0.860 22 K CB 0.251 32.734 32.500 -0.027 0.000 1.099 22 K HN 0.257 nan 8.250 nan 0.000 0.448 23 P HA 0.117 nan 4.420 nan 0.000 0.276 23 P C -1.353 175.946 177.300 -0.001 0.000 1.243 23 P CA -0.186 62.914 63.100 0.000 0.000 0.768 23 P CB 0.584 32.284 31.700 0.000 0.000 0.856 24 K N 1.585 121.989 120.400 0.007 0.000 2.328 24 K HA 0.649 4.969 4.320 -0.000 0.000 0.246 24 K C 0.564 177.169 176.600 0.009 0.000 0.955 24 K CA -0.511 55.780 56.287 0.006 0.000 0.817 24 K CB 1.408 33.914 32.500 0.010 0.000 1.208 24 K HN 0.515 nan 8.250 nan 0.000 0.432 25 G N 2.111 110.915 108.800 0.007 0.000 2.622 25 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.307 25 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.307 25 G C -1.391 173.512 174.900 0.006 0.000 1.226 25 G CA 0.266 45.372 45.100 0.011 0.000 0.997 25 G HN 0.623 nan 8.290 nan 0.000 0.551 26 P HA 0.087 nan 4.420 nan 0.000 0.245 26 P C 0.600 177.905 177.300 0.008 0.000 1.206 26 P CA 0.585 63.672 63.100 -0.021 0.000 0.781 26 P CB 0.068 31.520 31.700 -0.413 0.000 0.994 27 Q N 0.052 119.857 119.800 0.008 0.000 2.432 27 Q HA 0.294 4.634 4.340 -0.000 0.000 0.264 27 Q C -0.344 175.672 176.000 0.027 0.000 1.035 27 Q CA 0.148 55.968 55.803 0.028 0.000 0.908 27 Q CB 0.937 29.693 28.738 0.030 0.000 1.280 27 Q HN -0.066 nan 8.270 nan 0.000 0.455 28 V N 2.566 122.499 119.914 0.030 0.000 2.638 28 V HA 0.282 4.402 4.120 -0.000 0.000 0.306 28 V C -1.030 175.081 176.094 0.029 0.000 1.052 28 V CA -0.846 61.464 62.300 0.017 0.000 0.885 28 V CB 1.772 33.591 31.823 -0.007 0.000 0.999 28 V HN 0.535 nan 8.190 nan 0.000 0.424 29 L N 6.273 127.517 121.223 0.035 0.000 2.264 29 L HA 0.591 4.931 4.340 -0.000 0.000 0.289 29 L C -0.639 176.292 176.870 0.101 0.000 1.044 29 L CA 0.288 55.167 54.840 0.065 0.000 0.807 29 L CB 0.700 42.782 42.059 0.038 0.000 1.192 29 L HN 0.419 nan 8.230 nan 0.000 0.425 30 I N 4.967 125.612 120.570 0.125 0.000 2.404 30 I HA 0.302 4.472 4.170 -0.000 0.000 0.293 30 I C 0.041 176.243 176.117 0.141 0.000 0.992 30 I CA -0.641 60.725 61.300 0.110 0.000 1.149 30 I CB 1.583 39.615 38.000 0.053 0.000 1.315 30 I HN 0.640 nan 8.210 nan 0.000 0.446 31 K N 6.055 126.506 120.400 0.086 0.000 2.273 31 K HA 0.325 4.644 4.320 -0.000 0.000 0.287 31 K C -0.726 175.782 176.600 -0.153 0.000 1.089 31 K CA -0.415 55.771 56.287 -0.169 0.000 0.909 31 K CB 0.682 33.113 32.500 -0.116 0.000 1.123 31 K HN 0.389 nan 8.250 nan 0.000 0.473 32 V N 5.122 124.922 119.914 -0.190 0.000 2.540 32 V HA -0.058 4.062 4.120 -0.000 0.000 0.297 32 V C 0.975 177.009 176.094 -0.100 0.000 1.024 32 V CA 0.752 62.989 62.300 -0.105 0.000 1.105 32 V CB 0.739 32.512 31.823 -0.083 0.000 0.938 32 V HN 0.909 nan 8.190 nan 0.000 0.482 33 E N 3.008 123.175 120.200 -0.056 0.000 2.490 33 E HA 0.466 4.816 4.350 -0.000 0.000 0.209 33 E C 0.343 176.921 176.600 -0.037 0.000 0.971 33 E CA 0.449 56.821 56.400 -0.047 0.000 0.988 33 E CB 1.150 30.834 29.700 -0.026 0.000 1.029 33 E HN 0.790 nan 8.360 nan 0.000 0.496 34 A N 0.993 123.795 122.820 -0.030 0.000 2.532 34 A HA 0.676 4.996 4.320 -0.000 0.000 0.296 34 A C -1.570 176.003 177.584 -0.019 0.000 1.058 34 A CA -0.392 51.629 52.037 -0.026 0.000 0.729 34 A CB 1.530 20.521 19.000 -0.014 0.000 1.285 34 A HN 0.044 nan 8.150 nan 0.000 0.396 35 A N 1.737 124.543 122.820 -0.023 0.000 2.466 35 A HA 0.726 5.046 4.320 -0.000 0.000 0.291 35 A C 0.411 177.993 177.584 -0.003 0.000 1.234 35 A CA 0.144 52.188 52.037 0.012 0.000 0.752 35 A CB 0.433 19.475 19.000 0.069 0.000 1.153 35 A HN 2.107 nan 8.150 nan 0.000 0.458 36 G N 0.603 109.394 108.800 -0.015 0.000 2.491 36 G HA2 0.483 4.443 3.960 -0.000 0.000 0.242 36 G HA3 0.483 4.443 3.960 -0.000 0.000 0.242 36 G C -0.405 174.495 174.900 -0.001 0.000 1.266 36 G CA -0.087 44.997 45.100 -0.026 0.000 0.844 36 G HN 0.849 nan 8.290 nan 0.000 0.571 37 V N 1.528 121.445 119.914 0.005 0.000 2.448 37 V HA 0.536 4.655 4.120 -0.000 0.000 0.295 37 V C 0.459 176.577 176.094 0.040 0.000 1.025 37 V CA -0.716 61.619 62.300 0.058 0.000 0.859 37 V CB 0.767 32.599 31.823 0.014 0.000 0.988 37 V HN 1.204 nan 8.190 nan 0.000 0.431 38 C N 2.306 121.656 119.300 0.082 0.000 3.213 38 C HA 0.605 5.065 4.460 -0.000 0.000 0.319 38 C C 1.735 176.782 174.990 0.094 0.000 1.386 38 C CA -0.510 58.569 59.018 0.102 0.000 1.494 38 C CB 1.236 29.078 27.740 0.170 0.000 1.905 38 C HN 0.964 nan 8.230 nan 0.000 0.456 39 H N 1.287 120.341 119.070 -0.027 0.000 2.431 39 H HA -0.098 4.458 4.556 -0.000 0.000 0.297 39 H C 2.013 177.296 175.328 -0.074 0.000 1.115 39 H CA 2.760 58.736 56.048 -0.120 0.000 1.277 39 H CB 0.080 29.753 29.762 -0.148 0.000 1.372 39 H HN 0.729 nan 8.280 nan 0.000 0.516 40 S N -0.059 115.714 115.700 0.121 0.000 2.387 40 S HA -0.182 4.288 4.470 -0.000 0.000 0.230 40 S C 1.565 176.238 174.600 0.122 0.000 1.035 40 S CA 1.431 59.716 58.200 0.142 0.000 1.014 40 S CB -0.172 63.180 63.200 0.253 0.000 0.836 40 S HN 0.588 nan 8.310 nan 0.000 0.466 41 D N 0.818 121.296 120.400 0.129 0.000 2.264 41 D HA -0.010 4.630 4.640 -0.000 0.000 0.208 41 D C 1.953 178.242 176.300 -0.018 0.000 0.966 41 D CA 0.452 54.516 54.000 0.107 0.000 0.864 41 D CB -0.260 40.632 40.800 0.154 0.000 0.933 41 D HN 0.236 nan 8.370 nan 0.000 0.499 42 V N 1.370 121.155 119.914 -0.215 0.000 2.237 42 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 42 V C 2.174 178.133 176.094 -0.224 0.000 1.046 42 V CA 1.534 63.634 62.300 -0.334 0.000 1.007 42 V CB -0.548 30.828 31.823 -0.745 0.000 0.638 42 V HN 0.292 nan 8.190 nan 0.000 0.445 43 H N -1.545 117.448 119.070 -0.129 0.000 2.491 43 H HA 0.024 4.580 4.556 -0.000 0.000 0.290 43 H C 2.196 177.549 175.328 0.041 0.000 1.050 43 H CA 0.991 57.019 56.048 -0.033 0.000 1.309 43 H CB -0.111 29.631 29.762 -0.033 0.000 1.392 43 H HN 0.270 nan 8.280 nan 0.000 0.554 44 M N 0.179 119.878 119.600 0.164 0.000 2.200 44 M HA -0.073 4.407 4.480 -0.000 0.000 0.265 44 M C 2.179 178.547 176.300 0.114 0.000 1.066 44 M CA 0.872 56.279 55.300 0.178 0.000 1.127 44 M CB -0.477 32.236 32.600 0.189 0.000 1.379 44 M HN 0.118 nan 8.290 nan 0.000 0.420 45 R N 0.404 120.952 120.500 0.078 0.000 2.328 45 R HA -0.112 4.227 4.340 -0.000 0.000 0.207 45 R C 0.891 177.228 176.300 0.062 0.000 1.056 45 R CA 0.893 57.030 56.100 0.061 0.000 1.016 45 R CB 0.145 30.472 30.300 0.045 0.000 0.872 45 R HN 0.488 nan 8.270 nan 0.000 0.471 46 Q N -1.218 118.630 119.800 0.080 0.000 2.189 46 Q HA 0.206 4.546 4.340 -0.000 0.000 0.221 46 Q C 0.557 176.604 176.000 0.079 0.000 0.848 46 Q CA 0.310 56.160 55.803 0.078 0.000 1.007 46 Q CB 1.383 30.179 28.738 0.097 0.000 1.116 46 Q HN 0.468 nan 8.270 nan 0.000 0.481 47 G N 0.771 109.620 108.800 0.083 0.000 2.189 47 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.267 47 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.267 47 G C 0.247 175.208 174.900 0.102 0.000 0.975 47 G CA 0.449 45.596 45.100 0.078 0.000 0.644 47 G HN 0.210 nan 8.290 nan 0.000 0.537 48 R N -1.564 119.015 120.500 0.132 0.000 2.919 48 R HA 0.792 5.132 4.340 -0.000 0.000 0.260 48 R C -1.007 175.450 176.300 0.262 0.000 1.067 48 R CA -0.274 55.919 56.100 0.156 0.000 1.003 48 R CB 1.412 31.767 30.300 0.092 0.000 1.192 48 R HN 0.711 nan 8.270 nan 0.000 0.488 49 F N 0.234 120.238 119.950 0.091 0.000 2.931 49 F HA 0.503 5.030 4.527 -0.000 0.000 0.375 49 F C 0.841 176.698 175.800 0.094 0.000 1.243 49 F CA 0.596 58.674 58.000 0.131 0.000 1.206 49 F CB 0.764 39.880 39.000 0.194 0.000 1.643 49 F HN 0.870 nan 8.300 nan 0.000 0.593 50 G N 4.411 113.086 108.800 -0.208 0.000 3.757 50 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.215 50 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.215 50 G C 0.511 175.348 174.900 -0.105 0.000 1.411 50 G CA 0.776 45.760 45.100 -0.193 0.000 0.896 50 G HN 1.361 nan 8.290 nan 0.000 0.581 51 N N -1.587 117.106 118.700 -0.012 0.000 1.850 51 N HA 0.322 5.062 4.740 -0.000 0.000 0.225 51 N C -0.003 175.528 175.510 0.035 0.000 1.455 51 N CA 0.183 53.228 53.050 -0.009 0.000 0.689 51 N CB -0.106 38.366 38.487 -0.026 0.000 1.034 51 N HN 0.620 nan 8.380 nan 0.000 0.581 52 L N 0.892 122.169 121.223 0.089 0.000 2.448 52 L HA 0.575 4.915 4.340 -0.000 0.000 0.258 52 L C 0.455 177.382 176.870 0.094 0.000 1.104 52 L CA -0.398 54.497 54.840 0.092 0.000 0.800 52 L CB 0.631 42.765 42.059 0.125 0.000 1.241 52 L HN 0.070 nan 8.230 nan 0.000 0.472 53 R N 0.829 121.366 120.500 0.062 0.000 2.343 53 R HA 0.369 4.709 4.340 -0.000 0.000 0.320 53 R C 1.150 177.474 176.300 0.040 0.000 0.956 53 R CA -0.414 55.717 56.100 0.053 0.000 0.836 53 R CB 1.112 31.429 30.300 0.027 0.000 1.151 53 R HN 0.674 nan 8.270 nan 0.000 0.450 54 I N -0.171 120.433 120.570 0.056 0.000 2.423 54 I HA -0.213 3.957 4.170 -0.000 0.000 0.254 54 I C 1.163 177.272 176.117 -0.012 0.000 1.151 54 I CA 1.200 62.515 61.300 0.025 0.000 1.421 54 I CB -0.249 37.779 38.000 0.046 0.000 1.079 54 I HN 0.257 nan 8.210 nan 0.000 0.431 55 V N 1.310 121.221 119.914 -0.005 0.000 2.300 55 V HA -0.120 4.000 4.120 -0.000 0.000 0.241 55 V C 2.548 178.626 176.094 -0.025 0.000 1.034 55 V CA 1.843 64.131 62.300 -0.020 0.000 1.021 55 V CB -0.657 31.160 31.823 -0.011 0.000 0.662 55 V HN 0.290 nan 8.190 nan 0.000 0.458 56 E N 0.366 120.557 120.200 -0.015 0.000 2.072 56 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 56 E C 1.898 178.483 176.600 -0.025 0.000 0.982 56 E CA 1.347 57.737 56.400 -0.017 0.000 0.803 56 E CB -0.209 29.486 29.700 -0.008 0.000 0.755 56 E HN 0.602 nan 8.360 nan 0.000 0.453 57 D N -0.751 119.634 120.400 -0.026 0.000 2.369 57 D HA 0.014 4.654 4.640 -0.000 0.000 0.231 57 D C 1.374 177.628 176.300 -0.077 0.000 0.967 57 D CA 0.471 54.446 54.000 -0.041 0.000 0.905 57 D CB 0.096 40.881 40.800 -0.025 0.000 1.044 57 D HN 0.087 nan 8.370 nan 0.000 0.487 58 L N 0.159 121.329 121.223 -0.087 0.000 2.591 58 L HA 0.268 4.608 4.340 -0.000 0.000 0.228 58 L C 1.379 178.187 176.870 -0.102 0.000 1.133 58 L CA 0.425 55.182 54.840 -0.138 0.000 0.880 58 L CB -0.352 41.606 42.059 -0.168 0.000 1.033 58 L HN 0.132 nan 8.230 nan 0.000 0.450 59 G N -0.200 108.553 108.800 -0.079 0.000 2.198 59 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.257 59 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.257 59 G C 0.266 175.101 174.900 -0.108 0.000 1.042 59 G CA 0.170 45.221 45.100 -0.081 0.000 0.791 59 G HN 0.119 nan 8.290 nan 0.000 0.502 60 V N 0.822 120.681 119.914 -0.092 0.000 2.529 60 V HA 0.296 4.416 4.120 -0.000 0.000 0.292 60 V C 0.830 176.867 176.094 -0.095 0.000 1.028 60 V CA 0.104 62.342 62.300 -0.104 0.000 1.074 60 V CB 1.563 33.350 31.823 -0.060 0.000 0.958 60 V HN 0.244 nan 8.190 nan 0.000 0.481 61 K N 5.423 125.750 120.400 -0.122 0.000 2.356 61 K HA 0.327 4.647 4.320 -0.000 0.000 0.243 61 K C -0.716 175.838 176.600 -0.076 0.000 1.072 61 K CA -0.761 55.470 56.287 -0.094 0.000 1.014 61 K CB 0.583 33.018 32.500 -0.109 0.000 1.523 61 K HN 0.420 nan 8.250 nan 0.000 0.455 62 L N 4.904 126.097 121.223 -0.051 0.000 2.516 62 L HA 0.029 4.369 4.340 -0.000 0.000 0.288 62 L C -1.562 175.288 176.870 -0.033 0.000 1.246 62 L CA -0.283 54.536 54.840 -0.035 0.000 0.844 62 L CB -0.471 41.577 42.059 -0.018 0.000 1.106 62 L HN 0.454 nan 8.230 nan 0.000 0.509 63 P HA 0.284 nan 4.420 nan 0.000 0.279 63 P C -1.244 176.040 177.300 -0.027 0.000 1.252 63 P CA -0.361 62.728 63.100 -0.017 0.000 0.811 63 P CB 1.954 33.650 31.700 -0.005 0.000 1.035 64 V N 0.976 120.877 119.914 -0.021 0.000 2.686 64 V HA 0.308 4.428 4.120 -0.000 0.000 0.306 64 V C -0.523 175.559 176.094 -0.019 0.000 1.065 64 V CA -0.433 61.850 62.300 -0.029 0.000 0.894 64 V CB 2.124 33.922 31.823 -0.040 0.000 1.004 64 V HN 0.585 nan 8.190 nan 0.000 0.424 65 T N 8.001 122.546 114.554 -0.016 0.000 2.799 65 T HA 0.401 4.751 4.350 -0.000 0.000 0.296 65 T C 0.081 174.719 174.700 -0.103 0.000 0.947 65 T CA 0.063 62.152 62.100 -0.018 0.000 1.141 65 T CB 0.509 69.387 68.868 0.016 0.000 0.891 65 T HN 0.437 nan 8.240 nan 0.000 0.533 66 L N 2.125 123.209 121.223 -0.232 0.000 2.505 66 L HA 0.609 4.949 4.340 -0.000 0.000 0.226 66 L C 1.217 177.589 176.870 -0.830 0.000 1.211 66 L CA 0.568 55.103 54.840 -0.508 0.000 0.828 66 L CB -0.128 41.524 42.059 -0.678 0.000 1.331 66 L HN 0.973 nan 8.230 nan 0.000 0.513 67 G N -0.391 107.869 108.800 -0.900 0.000 2.798 67 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.658 67 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.658 67 G C -0.108 174.640 174.900 -0.252 0.000 1.148 67 G CA -0.003 44.755 45.100 -0.569 0.000 1.200 67 G HN 1.045 nan 8.290 nan 0.000 0.519 68 H N -0.013 118.948 119.070 -0.181 0.000 2.672 68 H HA 0.300 4.856 4.556 -0.000 0.000 0.277 68 H C -0.026 175.155 175.328 -0.244 0.000 1.074 68 H CA 0.324 56.206 56.048 -0.277 0.000 1.173 68 H CB 1.041 30.573 29.762 -0.384 0.000 1.558 68 H HN 0.558 nan 8.280 nan 0.000 0.539 69 E N 2.130 122.115 120.200 -0.358 0.000 2.149 69 E HA 0.471 4.821 4.350 -0.000 0.000 0.255 69 E C -0.767 175.776 176.600 -0.095 0.000 0.888 69 E CA -0.383 55.905 56.400 -0.186 0.000 0.742 69 E CB 1.890 31.483 29.700 -0.178 0.000 1.164 69 E HN 0.318 nan 8.360 nan 0.000 0.422 70 I N 1.824 122.352 120.570 -0.070 0.000 2.466 70 I HA 0.691 4.861 4.170 -0.000 0.000 0.289 70 I C -0.460 175.662 176.117 0.009 0.000 1.026 70 I CA -0.901 60.378 61.300 -0.036 0.000 1.078 70 I CB 1.961 39.924 38.000 -0.060 0.000 1.249 70 I HN 0.413 nan 8.210 nan 0.000 0.429 71 A N 4.028 126.858 122.820 0.017 0.000 2.515 71 A HA 1.024 5.344 4.320 -0.000 0.000 0.298 71 A C -0.451 177.145 177.584 0.020 0.000 1.059 71 A CA -0.297 51.764 52.037 0.039 0.000 0.698 71 A CB 2.037 21.067 19.000 0.050 0.000 1.289 71 A HN 0.998 nan 8.150 nan 0.000 0.404 72 G N 0.322 109.139 108.800 0.029 0.000 2.340 72 G HA2 0.492 4.452 3.960 -0.000 0.000 0.299 72 G HA3 0.492 4.452 3.960 -0.000 0.000 0.299 72 G C -1.758 173.158 174.900 0.028 0.000 1.291 72 G CA -0.833 44.275 45.100 0.012 0.000 0.841 72 G HN 0.657 nan 8.290 nan 0.000 0.500 73 K N 0.226 120.638 120.400 0.022 0.000 2.182 73 K HA 0.500 4.820 4.320 -0.000 0.000 0.262 73 K C -0.037 176.595 176.600 0.054 0.000 0.957 73 K CA -0.675 55.636 56.287 0.038 0.000 0.842 73 K CB 2.252 34.771 32.500 0.031 0.000 1.099 73 K HN 0.357 nan 8.250 nan 0.000 0.438 74 I N 3.151 123.756 120.570 0.059 0.000 2.662 74 I HA -0.120 4.050 4.170 -0.000 0.000 0.285 74 I C 1.453 177.614 176.117 0.073 0.000 1.161 74 I CA 0.404 61.741 61.300 0.061 0.000 1.415 74 I CB 0.504 38.539 38.000 0.058 0.000 1.385 74 I HN 0.745 nan 8.210 nan 0.000 0.552 75 E N 4.877 125.136 120.200 0.098 0.000 2.075 75 E HA -0.012 4.338 4.350 -0.000 0.000 0.190 75 E C 0.076 176.709 176.600 0.055 0.000 0.969 75 E CA 1.050 57.517 56.400 0.112 0.000 0.815 75 E CB 0.422 30.249 29.700 0.211 0.000 0.776 75 E HN 0.604 nan 8.360 nan 0.000 0.457 76 E N -0.765 119.458 120.200 0.038 0.000 2.372 76 E HA 0.402 4.752 4.350 -0.000 0.000 0.279 76 E C -1.635 174.969 176.600 0.007 0.000 0.946 76 E CA -0.757 55.650 56.400 0.011 0.000 0.769 76 E CB 1.936 31.629 29.700 -0.011 0.000 1.230 76 E HN 0.025 nan 8.360 nan 0.000 0.442 77 V N 0.922 120.833 119.914 -0.005 0.000 2.628 77 V HA 0.989 5.109 4.120 -0.000 0.000 0.306 77 V C 0.647 176.725 176.094 -0.026 0.000 1.045 77 V CA -0.128 62.161 62.300 -0.018 0.000 0.905 77 V CB 1.409 33.213 31.823 -0.031 0.000 0.997 77 V HN 0.697 nan 8.190 nan 0.000 0.436 78 G N 2.513 111.297 108.800 -0.025 0.000 2.716 78 G HA2 0.185 4.145 3.960 -0.000 0.000 0.251 78 G HA3 0.185 4.145 3.960 -0.000 0.000 0.251 78 G C 0.607 175.485 174.900 -0.038 0.000 1.224 78 G CA 0.419 45.505 45.100 -0.022 0.000 0.891 78 G HN 1.078 nan 8.290 nan 0.000 0.561 79 D N -1.120 119.264 120.400 -0.026 0.000 2.312 79 D HA -0.097 4.542 4.640 -0.000 0.000 0.211 79 D C 1.392 177.669 176.300 -0.038 0.000 0.964 79 D CA 0.960 54.943 54.000 -0.029 0.000 0.877 79 D CB 0.046 40.836 40.800 -0.016 0.000 0.924 79 D HN 0.607 nan 8.370 nan 0.000 0.515 80 E N -0.013 120.167 120.200 -0.034 0.000 2.474 80 E HA 0.129 4.479 4.350 -0.000 0.000 0.195 80 E C -0.031 176.501 176.600 -0.114 0.000 1.039 80 E CA -0.244 56.143 56.400 -0.023 0.000 0.881 80 E CB 1.116 30.839 29.700 0.037 0.000 0.970 80 E HN 0.032 nan 8.360 nan 0.000 0.486 81 V N 1.883 121.655 119.914 -0.237 0.000 2.585 81 V HA 0.029 4.149 4.120 -0.000 0.000 0.296 81 V C 0.095 175.839 176.094 -0.583 0.000 1.035 81 V CA 0.118 62.036 62.300 -0.637 0.000 1.084 81 V CB 1.117 32.727 31.823 -0.356 0.000 0.953 81 V HN -0.105 nan 8.190 nan 0.000 0.483 82 V N 3.809 123.178 119.914 -0.910 0.000 2.656 82 V HA 0.796 4.916 4.120 -0.000 0.000 0.307 82 V C 0.780 176.719 176.094 -0.258 0.000 1.051 82 V CA 0.376 62.450 62.300 -0.377 0.000 0.893 82 V CB 1.254 32.978 31.823 -0.165 0.000 0.999 82 V HN 1.100 nan 8.190 nan 0.000 0.426 83 G N 3.488 112.160 108.800 -0.213 0.000 2.157 83 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.239 83 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.239 83 G C -0.461 174.061 174.900 -0.629 0.000 0.982 83 G CA 0.321 45.200 45.100 -0.368 0.000 0.650 83 G HN 0.693 nan 8.290 nan 0.000 0.527 84 Y N -0.105 120.128 120.300 -0.111 0.000 2.534 84 Y HA 0.689 5.238 4.550 -0.000 0.000 0.345 84 Y C 0.268 176.125 175.900 -0.072 0.000 1.031 84 Y CA -0.622 57.437 58.100 -0.069 0.000 1.022 84 Y CB 2.248 40.683 38.460 -0.042 0.000 1.292 84 Y HN 0.183 nan 8.280 nan 0.000 0.459 85 S N 0.829 116.591 115.700 0.104 0.000 2.599 85 S HA 0.466 4.936 4.470 -0.000 0.000 0.287 85 S C -1.169 173.464 174.600 0.055 0.000 1.105 85 S CA -1.406 56.822 58.200 0.046 0.000 0.899 85 S CB 1.612 64.819 63.200 0.012 0.000 1.100 85 S HN 0.433 nan 8.310 nan 0.000 0.482 86 K N 0.753 121.174 120.400 0.035 0.000 2.561 86 K HA 0.287 4.606 4.320 -0.000 0.000 0.280 86 K C 1.243 177.866 176.600 0.038 0.000 0.975 86 K CA 1.114 57.423 56.287 0.037 0.000 1.024 86 K CB -0.108 32.407 32.500 0.026 0.000 0.883 86 K HN 1.004 nan 8.250 nan 0.000 0.496 87 G N 2.041 110.868 108.800 0.044 0.000 2.234 87 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.235 87 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.235 87 G C -0.287 174.640 174.900 0.046 0.000 0.997 87 G CA -0.119 45.005 45.100 0.039 0.000 0.623 87 G HN 0.655 nan 8.290 nan 0.000 0.514 88 D N 0.635 121.072 120.400 0.062 0.000 2.424 88 D HA 0.423 5.063 4.640 -0.000 0.000 0.244 88 D C 0.401 176.747 176.300 0.077 0.000 1.134 88 D CA -0.098 53.949 54.000 0.079 0.000 0.881 88 D CB 1.522 42.403 40.800 0.134 0.000 1.191 88 D HN 0.289 nan 8.370 nan 0.000 0.445 89 L N 3.811 125.077 121.223 0.072 0.000 2.276 89 L HA 0.398 4.738 4.340 -0.000 0.000 0.286 89 L C -0.568 176.362 176.870 0.100 0.000 1.061 89 L CA -0.400 54.482 54.840 0.071 0.000 0.807 89 L CB 1.100 43.193 42.059 0.057 0.000 1.177 89 L HN 0.224 nan 8.230 nan 0.000 0.429 90 V N 2.310 122.285 119.914 0.102 0.000 3.114 90 V HA 1.023 5.143 4.120 -0.000 0.000 0.308 90 V C -0.433 175.751 176.094 0.150 0.000 1.168 90 V CA -0.410 61.974 62.300 0.141 0.000 1.015 90 V CB 1.193 33.083 31.823 0.112 0.000 1.050 90 V HN 1.046 nan 8.190 nan 0.000 0.433 91 A N 1.893 124.854 122.820 0.234 0.000 2.311 91 A HA 0.964 5.284 4.320 -0.000 0.000 0.334 91 A C -0.674 177.110 177.584 0.334 0.000 1.139 91 A CA -0.799 51.396 52.037 0.264 0.000 0.830 91 A CB 1.838 21.026 19.000 0.314 0.000 1.234 91 A HN 1.545 nan 8.150 nan 0.000 0.483 92 V N 1.885 121.906 119.914 0.178 0.000 2.588 92 V HA 0.301 4.421 4.120 -0.000 0.000 0.304 92 V C -0.383 175.451 176.094 -0.434 0.000 1.042 92 V CA -0.949 61.331 62.300 -0.032 0.000 0.877 92 V CB 1.797 33.576 31.823 -0.073 0.000 0.996 92 V HN 0.913 nan 8.190 nan 0.000 0.425 93 N N 7.017 125.221 118.700 -0.827 0.000 2.411 93 N HA 0.288 5.028 4.740 -0.000 0.000 0.259 93 N C -1.483 173.609 175.510 -0.697 0.000 1.103 93 N CA -1.987 50.411 53.050 -1.086 0.000 0.954 93 N CB 1.659 39.505 38.487 -1.069 0.000 1.085 93 N HN 0.343 nan 8.380 nan 0.000 0.485 94 P HA 0.069 nan 4.420 nan 0.000 0.251 94 P C -0.440 176.296 177.300 -0.940 0.000 1.223 94 P CA 0.351 62.890 63.100 -0.934 0.000 0.796 94 P CB -0.089 30.959 31.700 -1.086 0.000 1.068 95 W N 1.965 123.022 121.300 -0.406 0.000 1.738 95 W HA 0.375 5.035 4.660 0.000 0.000 0.399 95 W C 0.156 176.592 176.519 -0.138 0.000 0.744 95 W CA -0.760 56.366 57.345 -0.364 0.000 1.695 95 W CB -0.125 29.114 29.460 -0.367 0.000 1.820 95 W HN -0.042 nan 8.180 nan 0.000 0.262 96 Q N 1.123 120.896 119.800 -0.044 0.000 2.230 96 Q HA 0.624 4.964 4.340 -0.000 0.000 0.253 96 Q C 0.550 176.536 176.000 -0.024 0.000 0.919 96 Q CA -0.577 55.037 55.803 -0.316 0.000 0.908 96 Q CB 1.985 30.213 28.738 -0.850 0.000 1.245 96 Q HN 0.432 nan 8.270 nan 0.000 0.437 97 G N 0.566 109.394 108.800 0.047 0.000 2.489 97 G HA2 0.299 4.259 3.960 -0.000 0.000 0.327 97 G HA3 0.299 4.259 3.960 -0.000 0.000 0.327 97 G C 0.090 175.017 174.900 0.045 0.000 1.189 97 G CA -0.651 44.492 45.100 0.072 0.000 0.962 97 G HN 0.714 nan 8.290 nan 0.000 0.486 98 E N -0.870 119.347 120.200 0.028 0.000 2.371 98 E HA 0.274 4.624 4.350 -0.000 0.000 0.194 98 E C 1.593 178.216 176.600 0.037 0.000 1.012 98 E CA 0.898 57.313 56.400 0.026 0.000 0.860 98 E CB 0.199 29.910 29.700 0.020 0.000 0.811 98 E HN 1.274 nan 8.360 nan 0.000 0.502 99 G N 0.525 109.351 108.800 0.044 0.000 2.313 99 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.215 99 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.215 99 G C 1.264 176.177 174.900 0.021 0.000 1.023 99 G CA 0.203 45.320 45.100 0.028 0.000 0.626 99 G HN 0.349 nan 8.290 nan 0.000 0.503 100 N N 0.451 119.168 118.700 0.029 0.000 2.368 100 N HA 0.095 4.835 4.740 -0.000 0.000 0.176 100 N C 1.741 177.272 175.510 0.034 0.000 1.021 100 N CA 1.344 54.410 53.050 0.026 0.000 0.888 100 N CB -0.211 38.293 38.487 0.028 0.000 0.995 100 N HN 1.062 nan 8.380 nan 0.000 0.437 101 C N -0.596 118.739 119.300 0.058 0.000 2.649 101 C HA 0.195 4.655 4.460 -0.000 0.000 0.377 101 C C 1.969 177.000 174.990 0.068 0.000 1.321 101 C CA -1.041 58.032 59.018 0.091 0.000 2.368 101 C CB -0.632 27.197 27.740 0.148 0.000 2.597 101 C HN 0.575 nan 8.230 nan 0.000 0.678 102 Y N 1.125 121.372 120.300 -0.087 0.000 2.102 102 Y HA -0.214 4.336 4.550 -0.000 0.000 0.280 102 Y C 2.078 177.795 175.900 -0.305 0.000 1.178 102 Y CA 2.477 60.429 58.100 -0.247 0.000 1.146 102 Y CB -0.694 37.506 38.460 -0.433 0.000 0.968 102 Y HN 0.785 nan 8.280 nan 0.000 0.504 103 Y N -1.280 119.059 120.300 0.064 0.000 2.242 103 Y HA -0.207 4.343 4.550 -0.000 0.000 0.291 103 Y C 2.861 178.719 175.900 -0.070 0.000 1.137 103 Y CA 1.359 59.440 58.100 -0.032 0.000 1.181 103 Y CB -1.106 37.399 38.460 0.074 0.000 0.989 103 Y HN 0.224 nan 8.280 nan 0.000 0.527 104 C N -0.131 119.222 119.300 0.088 0.000 2.429 104 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 104 C C 2.689 177.660 174.990 -0.031 0.000 1.262 104 C CA 0.881 59.931 59.018 0.054 0.000 1.733 104 C CB -0.968 26.810 27.740 0.063 0.000 2.010 104 C HN 0.491 nan 8.230 nan 0.000 0.483 105 R N 1.127 121.565 120.500 -0.104 0.000 2.120 105 R HA -0.061 4.279 4.340 -0.000 0.000 0.234 105 R C 1.772 177.964 176.300 -0.178 0.000 1.123 105 R CA 1.502 57.522 56.100 -0.133 0.000 0.975 105 R CB -0.383 29.830 30.300 -0.146 0.000 0.866 105 R HN 0.729 nan 8.270 nan 0.000 0.446 106 I N -3.176 117.218 120.570 -0.294 0.000 3.812 106 I HA 0.350 4.520 4.170 -0.000 0.000 0.320 106 I C 0.653 176.714 176.117 -0.093 0.000 1.276 106 I CA 0.449 61.600 61.300 -0.248 0.000 1.164 106 I CB 0.462 38.204 38.000 -0.431 0.000 1.009 106 I HN 0.163 nan 8.210 nan 0.000 0.431 107 G N 1.687 110.467 108.800 -0.034 0.000 2.137 107 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.237 107 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.237 107 G C -0.035 174.940 174.900 0.125 0.000 1.002 107 G CA -0.038 45.089 45.100 0.045 0.000 0.702 107 G HN 0.547 nan 8.290 nan 0.000 0.515 108 E N -0.012 120.283 120.200 0.158 0.000 2.989 108 E HA 0.452 4.802 4.350 -0.000 0.000 0.224 108 E C 1.376 178.151 176.600 0.291 0.000 1.175 108 E CA 0.403 56.975 56.400 0.286 0.000 1.300 108 E CB 0.095 29.958 29.700 0.272 0.000 1.422 108 E HN 0.745 nan 8.360 nan 0.000 0.439 109 E N 1.209 121.596 120.200 0.312 0.000 2.265 109 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 109 E C 1.553 178.343 176.600 0.317 0.000 0.996 109 E CA 1.388 57.951 56.400 0.273 0.000 0.832 109 E CB -1.005 28.852 29.700 0.261 0.000 0.756 109 E HN 0.493 nan 8.360 nan 0.000 0.491 110 H N -0.610 118.587 119.070 0.212 0.000 2.524 110 H HA 0.151 4.707 4.556 -0.000 0.000 0.282 110 H C 1.627 177.123 175.328 0.281 0.000 1.016 110 H CA 0.912 57.120 56.048 0.267 0.000 1.270 110 H CB -0.318 29.486 29.762 0.069 0.000 1.394 110 H HN 0.411 nan 8.280 nan 0.000 0.568 111 L N 1.052 122.082 121.223 -0.322 0.000 2.685 111 L HA 0.144 4.484 4.340 -0.000 0.000 0.233 111 L C 0.779 177.521 176.870 -0.214 0.000 1.173 111 L CA -0.574 54.036 54.840 -0.383 0.000 0.961 111 L CB 0.019 41.669 42.059 -0.682 0.000 1.217 111 L HN 0.164 nan 8.230 nan 0.000 0.478 112 C N 1.031 120.347 119.300 0.026 0.000 2.550 112 C HA -0.115 4.345 4.460 -0.000 0.000 0.406 112 C C 1.927 176.913 174.990 -0.008 0.000 1.366 112 C CA -0.044 59.021 59.018 0.078 0.000 1.712 112 C CB 0.256 28.039 27.740 0.071 0.000 2.613 112 C HN 0.488 nan 8.230 nan 0.000 0.608 113 D N 1.413 121.851 120.400 0.063 0.000 2.264 113 D HA -0.003 4.637 4.640 -0.000 0.000 0.208 113 D C 0.727 176.998 176.300 -0.049 0.000 0.966 113 D CA 1.304 55.318 54.000 0.022 0.000 0.864 113 D CB 0.084 40.931 40.800 0.079 0.000 0.933 113 D HN 0.641 nan 8.370 nan 0.000 0.499 114 S N 1.072 116.734 115.700 -0.063 0.000 2.317 114 S HA 0.213 4.683 4.470 -0.000 0.000 0.144 114 S C -2.588 171.927 174.600 -0.141 0.000 1.660 114 S CA -1.063 57.082 58.200 -0.092 0.000 1.273 114 S CB 2.140 65.322 63.200 -0.030 0.000 1.330 114 S HN 0.056 nan 8.310 nan 0.000 0.395 115 P HA 0.182 nan 4.420 nan 0.000 0.269 115 P C -0.825 176.250 177.300 -0.374 0.000 1.209 115 P CA -0.273 62.553 63.100 -0.456 0.000 0.776 115 P CB 0.646 31.666 31.700 -1.132 0.000 0.876 116 R N 2.177 122.495 120.500 -0.303 0.000 2.402 116 R HA 0.269 4.608 4.340 -0.000 0.000 0.290 116 R C -0.840 175.324 176.300 -0.226 0.000 1.321 116 R CA -0.362 55.439 56.100 -0.498 0.000 1.283 116 R CB 0.561 30.354 30.300 -0.845 0.000 1.111 116 R HN 0.496 nan 8.270 nan 0.000 0.578 117 W N 4.227 125.385 121.300 -0.235 0.000 2.316 117 W HA 0.298 4.957 4.660 -0.000 0.000 0.308 117 W C 0.198 176.566 176.519 -0.252 0.000 1.106 117 W CA -1.324 55.857 57.345 -0.273 0.000 1.262 117 W CB 0.470 29.821 29.460 -0.181 0.000 1.233 117 W HN 0.303 nan 8.180 nan 0.000 0.447 118 L N 3.710 124.829 121.223 -0.174 0.000 2.513 118 L HA 0.205 4.545 4.340 -0.000 0.000 0.272 118 L C 1.462 178.274 176.870 -0.097 0.000 1.187 118 L CA 0.995 55.756 54.840 -0.131 0.000 0.895 118 L CB -0.202 41.725 42.059 -0.221 0.000 1.147 118 L HN 0.898 nan 8.230 nan 0.000 0.483 119 G N 3.227 112.016 108.800 -0.018 0.000 2.179 119 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 119 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 119 G C 0.678 175.582 174.900 0.007 0.000 0.977 119 G CA 0.479 45.553 45.100 -0.045 0.000 0.641 119 G HN 0.625 nan 8.290 nan 0.000 0.533 120 I N -0.399 120.204 120.570 0.054 0.000 3.739 120 I HA 0.130 4.300 4.170 -0.000 0.000 0.272 120 I C 1.640 177.799 176.117 0.070 0.000 1.167 120 I CA 1.058 62.401 61.300 0.073 0.000 1.386 120 I CB 0.050 38.099 38.000 0.082 0.000 1.490 120 I HN 0.262 nan 8.210 nan 0.000 0.452 121 N N -0.088 118.691 118.700 0.131 0.000 2.194 121 N HA 0.168 4.908 4.740 -0.000 0.000 0.231 121 N C -0.530 175.022 175.510 0.070 0.000 1.247 121 N CA -0.113 52.984 53.050 0.078 0.000 0.884 121 N CB 0.435 38.945 38.487 0.039 0.000 1.146 121 N HN 0.072 nan 8.380 nan 0.000 0.516 122 F N 0.268 120.188 119.950 -0.050 0.000 2.626 122 F HA 0.381 4.908 4.527 -0.000 0.000 0.311 122 F C -0.227 175.542 175.800 -0.051 0.000 1.088 122 F CA -1.102 56.869 58.000 -0.048 0.000 0.949 122 F CB 1.295 40.264 39.000 -0.052 0.000 1.322 122 F HN -0.255 nan 8.300 nan 0.000 0.461 123 D N 1.116 121.584 120.400 0.113 0.000 2.455 123 D HA 0.353 4.993 4.640 -0.000 0.000 0.241 123 D C 0.388 176.711 176.300 0.039 0.000 1.138 123 D CA 0.576 54.605 54.000 0.049 0.000 0.877 123 D CB 1.178 42.002 40.800 0.042 0.000 1.187 123 D HN 0.700 nan 8.370 nan 0.000 0.451 124 G N 0.115 108.907 108.800 -0.013 0.000 3.008 124 G HA2 0.474 4.434 3.960 -0.000 0.000 0.181 124 G HA3 0.474 4.434 3.960 -0.000 0.000 0.181 124 G C 0.404 175.295 174.900 -0.014 0.000 1.309 124 G CA 0.009 45.081 45.100 -0.048 0.000 1.009 124 G HN 0.421 nan 8.290 nan 0.000 0.584 125 A N -1.514 121.299 122.820 -0.012 0.000 2.275 125 A HA 0.306 4.626 4.320 -0.000 0.000 0.212 125 A C 0.464 178.160 177.584 0.187 0.000 1.201 125 A CA -0.044 52.030 52.037 0.062 0.000 0.843 125 A CB -0.228 18.791 19.000 0.033 0.000 0.873 125 A HN 0.407 nan 8.150 nan 0.000 0.492 126 Y N 1.053 121.335 120.300 -0.030 0.000 3.096 126 Y HA 0.457 5.007 4.550 -0.000 0.000 0.377 126 Y C 0.833 176.724 175.900 -0.015 0.000 1.107 126 Y CA -0.312 57.773 58.100 -0.026 0.000 2.045 126 Y CB -1.442 37.009 38.460 -0.015 0.000 2.203 126 Y HN 0.404 nan 8.280 nan 0.000 0.408 127 A N -0.458 122.431 122.820 0.115 0.000 2.564 127 A HA 0.478 4.798 4.320 -0.000 0.000 0.291 127 A C 0.722 178.303 177.584 -0.004 0.000 1.102 127 A CA -0.765 51.312 52.037 0.066 0.000 0.660 127 A CB 0.770 19.823 19.000 0.090 0.000 1.283 127 A HN 0.282 nan 8.150 nan 0.000 0.430 128 E N -0.913 119.275 120.200 -0.021 0.000 2.152 128 E HA -0.004 4.346 4.350 -0.000 0.000 0.192 128 E C -0.648 175.649 176.600 -0.506 0.000 0.983 128 E CA 1.409 57.671 56.400 -0.229 0.000 0.818 128 E CB -0.012 29.590 29.700 -0.163 0.000 0.758 128 E HN 0.543 nan 8.360 nan 0.000 0.467 129 Y N -1.368 118.944 120.300 0.019 0.000 2.605 129 Y HA 0.528 5.078 4.550 -0.000 0.000 0.343 129 Y C -0.553 175.358 175.900 0.018 0.000 1.036 129 Y CA -1.141 56.968 58.100 0.016 0.000 1.065 129 Y CB 2.118 40.586 38.460 0.013 0.000 1.288 129 Y HN -0.304 nan 8.280 nan 0.000 0.481 130 V N 3.350 123.371 119.914 0.179 0.000 2.891 130 V HA 0.502 4.622 4.120 -0.000 0.000 0.304 130 V C -1.591 174.555 176.094 0.088 0.000 1.171 130 V CA -0.736 61.625 62.300 0.102 0.000 0.943 130 V CB 1.732 33.586 31.823 0.051 0.000 1.037 130 V HN 0.615 nan 8.190 nan 0.000 0.427 131 I N 6.281 126.893 120.570 0.071 0.000 2.395 131 I HA 0.354 4.523 4.170 -0.000 0.000 0.289 131 I C 0.023 176.163 176.117 0.039 0.000 1.023 131 I CA -0.086 61.248 61.300 0.057 0.000 1.350 131 I CB 1.637 39.673 38.000 0.060 0.000 1.409 131 I HN 0.357 nan 8.210 nan 0.000 0.507 132 V N 9.863 129.797 119.914 0.034 0.000 2.370 132 V HA 0.193 4.313 4.120 -0.000 0.000 0.279 132 V C -1.497 174.631 176.094 0.057 0.000 1.029 132 V CA -1.214 61.102 62.300 0.027 0.000 0.870 132 V CB 1.424 33.266 31.823 0.031 0.000 0.984 132 V HN 0.584 nan 8.190 nan 0.000 0.451 133 P HA -0.132 nan 4.420 nan 0.000 0.216 133 P C 0.282 177.673 177.300 0.152 0.000 1.150 133 P CA 1.525 64.675 63.100 0.084 0.000 0.843 133 P CB 0.131 31.843 31.700 0.020 0.000 0.787 134 H N -2.451 116.693 119.070 0.122 0.000 2.947 134 H HA 0.083 4.639 4.556 -0.000 0.000 0.354 134 H C 0.363 175.663 175.328 -0.047 0.000 1.085 134 H CA -0.800 55.254 56.048 0.009 0.000 1.253 134 H CB 0.898 30.591 29.762 -0.115 0.000 1.757 134 H HN -0.043 nan 8.280 nan 0.000 0.523 135 Y N 3.709 123.985 120.300 -0.041 0.000 2.465 135 Y HA -0.154 4.396 4.550 -0.000 0.000 0.289 135 Y C 1.934 177.835 175.900 0.001 0.000 1.150 135 Y CA 1.257 59.300 58.100 -0.095 0.000 1.293 135 Y CB -0.305 38.067 38.460 -0.146 0.000 0.977 135 Y HN 0.423 nan 8.280 nan 0.000 0.556 136 K N -0.627 119.693 120.400 -0.132 0.000 2.442 136 K HA -0.144 4.176 4.320 -0.000 0.000 0.198 136 K C 0.363 176.788 176.600 -0.293 0.000 1.042 136 K CA 1.163 57.272 56.287 -0.296 0.000 0.958 136 K CB -0.626 31.457 32.500 -0.695 0.000 0.766 136 K HN 0.395 nan 8.250 nan 0.000 0.474 137 Y N 1.384 121.686 120.300 0.003 0.000 2.471 137 Y HA 0.283 4.832 4.550 -0.000 0.000 0.286 137 Y C 0.807 176.730 175.900 0.038 0.000 1.188 137 Y CA -0.216 57.867 58.100 -0.027 0.000 1.286 137 Y CB -0.171 38.218 38.460 -0.119 0.000 1.072 137 Y HN -0.002 nan 8.280 nan 0.000 0.517 138 M N -1.120 118.580 119.600 0.168 0.000 2.573 138 M HA 0.325 4.805 4.480 -0.000 0.000 0.309 138 M C -1.433 175.122 176.300 0.424 0.000 1.202 138 M CA -0.817 54.601 55.300 0.197 0.000 0.975 138 M CB 1.712 34.215 32.600 -0.162 0.000 1.600 138 M HN 0.006 nan 8.290 nan 0.000 0.479 139 Y N 0.721 121.208 120.300 0.312 0.000 2.361 139 Y HA 0.348 4.898 4.550 -0.000 0.000 0.328 139 Y C -0.987 175.025 175.900 0.187 0.000 1.044 139 Y CA -0.918 57.317 58.100 0.225 0.000 1.085 139 Y CB 1.426 39.888 38.460 0.004 0.000 1.194 139 Y HN 0.506 nan 8.280 nan 0.000 0.438 140 K N 6.429 126.794 120.400 -0.059 0.000 2.368 140 K HA 0.335 4.655 4.320 -0.000 0.000 0.282 140 K C -0.955 175.706 176.600 0.101 0.000 1.035 140 K CA -0.134 56.185 56.287 0.053 0.000 0.973 140 K CB 0.644 33.135 32.500 -0.015 0.000 0.957 140 K HN 0.585 nan 8.250 nan 0.000 0.474 141 L N 3.208 124.516 121.223 0.141 0.000 2.334 141 L HA 0.347 4.686 4.340 -0.000 0.000 0.277 141 L C 1.155 178.074 176.870 0.081 0.000 1.075 141 L CA -0.379 54.544 54.840 0.139 0.000 0.804 141 L CB 1.235 43.362 42.059 0.113 0.000 1.174 141 L HN 0.650 nan 8.230 nan 0.000 0.438 142 R N 0.428 120.971 120.500 0.073 0.000 2.428 142 R HA 0.158 4.498 4.340 -0.000 0.000 0.193 142 R C 1.908 178.229 176.300 0.036 0.000 0.852 142 R CA 0.218 56.344 56.100 0.043 0.000 1.055 142 R CB 0.268 30.588 30.300 0.034 0.000 1.343 142 R HN 0.537 nan 8.270 nan 0.000 0.655 143 R N -0.198 120.327 120.500 0.041 0.000 2.146 143 R HA 0.255 4.594 4.340 -0.000 0.000 0.206 143 R C -0.162 176.152 176.300 0.024 0.000 1.049 143 R CA 0.285 56.401 56.100 0.027 0.000 1.029 143 R CB 0.236 30.549 30.300 0.023 0.000 0.949 143 R HN 0.056 nan 8.270 nan 0.000 0.471 144 L N 2.911 124.152 121.223 0.029 0.000 2.418 144 L HA 0.178 4.518 4.340 -0.000 0.000 0.265 144 L C -0.086 176.800 176.870 0.028 0.000 1.143 144 L CA -0.850 54.004 54.840 0.023 0.000 0.809 144 L CB 1.003 43.074 42.059 0.021 0.000 1.124 144 L HN 0.270 nan 8.230 nan 0.000 0.456 145 N N 1.072 119.784 118.700 0.020 0.000 2.478 145 N HA 0.382 5.121 4.740 -0.000 0.000 0.275 145 N C 0.525 176.048 175.510 0.022 0.000 1.221 145 N CA -0.180 52.882 53.050 0.020 0.000 0.979 145 N CB 0.829 39.322 38.487 0.011 0.000 1.202 145 N HN 0.584 nan 8.380 nan 0.000 0.564 146 A N 0.002 122.834 122.820 0.020 0.000 1.908 146 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 146 A C 2.013 179.605 177.584 0.014 0.000 1.181 146 A CA 1.846 53.895 52.037 0.021 0.000 0.627 146 A CB -1.229 17.778 19.000 0.012 0.000 0.818 146 A HN 0.466 nan 8.150 nan 0.000 0.445 147 V N 0.137 120.053 119.914 0.004 0.000 2.287 147 V HA -0.297 3.822 4.120 -0.000 0.000 0.248 147 V C 2.403 178.500 176.094 0.004 0.000 1.053 147 V CA 2.379 64.678 62.300 -0.001 0.000 1.027 147 V CB -0.930 30.888 31.823 -0.008 0.000 0.646 147 V HN 0.661 nan 8.190 nan 0.000 0.447 148 E N 0.228 120.432 120.200 0.007 0.000 2.110 148 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 148 E C 2.248 178.857 176.600 0.014 0.000 0.988 148 E CA 1.393 57.798 56.400 0.008 0.000 0.804 148 E CB -0.300 29.404 29.700 0.006 0.000 0.745 148 E HN 0.626 nan 8.360 nan 0.000 0.458 149 A N 1.187 124.020 122.820 0.022 0.000 1.935 149 A HA 0.138 4.457 4.320 -0.000 0.000 0.214 149 A C 2.362 179.978 177.584 0.052 0.000 1.178 149 A CA 1.023 53.081 52.037 0.034 0.000 0.640 149 A CB -0.413 18.618 19.000 0.051 0.000 0.825 149 A HN 0.258 nan 8.150 nan 0.000 0.447 150 A N 0.692 123.537 122.820 0.042 0.000 1.917 150 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 150 A C 0.097 177.707 177.584 0.044 0.000 1.182 150 A CA 2.084 54.145 52.037 0.039 0.000 0.633 150 A CB -1.715 17.292 19.000 0.011 0.000 0.819 150 A HN 0.446 nan 8.150 nan 0.000 0.448 151 P HA -0.076 nan 4.420 nan 0.000 0.222 151 P C 1.094 178.445 177.300 0.085 0.000 1.147 151 P CA 0.468 63.598 63.100 0.051 0.000 0.790 151 P CB -0.007 31.713 31.700 0.034 0.000 0.780 152 L N -0.503 120.771 121.223 0.084 0.000 2.275 152 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 152 L C 2.107 179.091 176.870 0.191 0.000 1.119 152 L CA 2.065 56.963 54.840 0.097 0.000 0.790 152 L CB -2.151 39.932 42.059 0.040 0.000 0.919 152 L HN 0.130 nan 8.230 nan 0.000 0.443 153 T N -6.179 108.509 114.554 0.224 0.000 3.118 153 T HA -0.087 4.263 4.350 -0.000 0.000 0.260 153 T C 1.672 176.559 174.700 0.312 0.000 1.139 153 T CA 0.837 63.100 62.100 0.273 0.000 1.085 153 T CB -0.437 68.492 68.868 0.102 0.000 0.934 153 T HN 0.370 nan 8.240 nan 0.000 0.518 154 C N -0.093 119.388 119.300 0.301 0.000 3.162 154 C HA 0.389 4.849 4.460 -0.000 0.000 0.220 154 C C 2.796 177.923 174.990 0.229 0.000 2.475 154 C CA 0.640 59.898 59.018 0.400 0.000 1.361 154 C CB 0.156 28.161 27.740 0.442 0.000 1.251 154 C HN 0.472 nan 8.230 nan 0.000 0.734 155 S N 1.069 116.869 115.700 0.166 0.000 2.382 155 S HA 0.003 4.473 4.470 -0.000 0.000 0.228 155 S C 1.763 176.416 174.600 0.089 0.000 1.027 155 S CA 1.669 59.929 58.200 0.101 0.000 0.991 155 S CB -0.714 62.532 63.200 0.076 0.000 0.823 155 S HN 0.849 nan 8.310 nan 0.000 0.469 156 G N 1.423 110.286 108.800 0.105 0.000 2.404 156 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.215 156 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.215 156 G C 1.361 176.332 174.900 0.118 0.000 1.174 156 G CA 0.489 45.645 45.100 0.093 0.000 0.780 156 G HN 0.478 nan 8.290 nan 0.000 0.537 157 I N 0.659 121.314 120.570 0.141 0.000 2.252 157 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 157 I C 2.805 178.971 176.117 0.082 0.000 1.102 157 I CA 1.560 62.937 61.300 0.128 0.000 1.385 157 I CB -0.086 38.030 38.000 0.193 0.000 1.064 157 I HN 0.134 nan 8.210 nan 0.000 0.414 158 T N 0.259 114.834 114.554 0.036 0.000 2.652 158 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 158 T C 1.804 176.517 174.700 0.022 0.000 1.039 158 T CA 2.374 64.462 62.100 -0.020 0.000 1.153 158 T CB -0.627 68.220 68.868 -0.034 0.000 0.863 158 T HN 0.602 nan 8.240 nan 0.000 0.428 159 T N -0.286 114.296 114.554 0.047 0.000 2.904 159 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 159 T C 1.796 176.525 174.700 0.050 0.000 1.059 159 T CA 0.924 63.044 62.100 0.033 0.000 1.137 159 T CB -0.772 68.112 68.868 0.026 0.000 0.879 159 T HN 0.445 nan 8.240 nan 0.000 0.467 160 Y N 2.252 122.537 120.300 -0.024 0.000 2.145 160 Y HA -0.027 4.523 4.550 -0.000 0.000 0.286 160 Y C 2.857 178.739 175.900 -0.030 0.000 1.145 160 Y CA 1.594 59.678 58.100 -0.026 0.000 1.148 160 Y CB -0.258 38.188 38.460 -0.022 0.000 0.981 160 Y HN 0.058 nan 8.280 nan 0.000 0.507 161 R N 0.075 120.679 120.500 0.173 0.000 2.092 161 R HA -0.117 4.223 4.340 -0.000 0.000 0.231 161 R C 2.341 178.626 176.300 -0.024 0.000 1.119 161 R CA 1.090 57.233 56.100 0.072 0.000 0.970 161 R CB -0.493 29.833 30.300 0.043 0.000 0.864 161 R HN 0.444 nan 8.270 nan 0.000 0.440 162 A N 0.249 123.054 122.820 -0.025 0.000 1.933 162 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 162 A C 2.205 179.740 177.584 -0.082 0.000 1.175 162 A CA 1.541 53.553 52.037 -0.042 0.000 0.628 162 A CB -0.484 18.495 19.000 -0.035 0.000 0.814 162 A HN 0.225 nan 8.150 nan 0.000 0.444 163 V N -0.119 119.722 119.914 -0.122 0.000 2.358 163 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 163 V C 2.636 178.627 176.094 -0.172 0.000 1.047 163 V CA 2.034 64.240 62.300 -0.156 0.000 1.035 163 V CB -0.760 30.945 31.823 -0.198 0.000 0.658 163 V HN 0.503 nan 8.190 nan 0.000 0.452 164 R N 0.079 120.449 120.500 -0.216 0.000 2.081 164 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 164 R C 2.330 178.581 176.300 -0.081 0.000 1.131 164 R CA 1.377 57.378 56.100 -0.164 0.000 0.960 164 R CB -0.262 29.953 30.300 -0.142 0.000 0.856 164 R HN 0.478 nan 8.270 nan 0.000 0.436 165 K N -0.157 120.208 120.400 -0.058 0.000 2.365 165 K HA -0.003 4.317 4.320 -0.000 0.000 0.199 165 K C 1.707 178.281 176.600 -0.044 0.000 1.045 165 K CA 0.809 57.079 56.287 -0.029 0.000 0.962 165 K CB 0.134 32.629 32.500 -0.008 0.000 0.759 165 K HN 0.120 nan 8.250 nan 0.000 0.469 166 A N 0.792 123.572 122.820 -0.067 0.000 2.209 166 A HA -0.017 4.303 4.320 -0.000 0.000 0.212 166 A C 0.586 178.132 177.584 -0.062 0.000 1.158 166 A CA 0.392 52.384 52.037 -0.074 0.000 0.742 166 A CB -0.152 18.793 19.000 -0.091 0.000 0.790 166 A HN 0.165 nan 8.150 nan 0.000 0.472 167 S N -1.045 114.621 115.700 -0.055 0.000 3.550 167 S HA -0.143 4.327 4.470 -0.000 0.000 0.372 167 S C 0.099 174.672 174.600 -0.044 0.000 0.966 167 S CA 0.661 58.835 58.200 -0.043 0.000 1.229 167 S CB -1.962 61.220 63.200 -0.031 0.000 0.917 167 S HN 0.537 nan 8.310 nan 0.000 0.496 168 L N 1.419 122.610 121.223 -0.053 0.000 2.418 168 L HA 0.636 4.976 4.340 -0.000 0.000 0.265 168 L C 0.593 177.442 176.870 -0.036 0.000 1.143 168 L CA -0.436 54.376 54.840 -0.046 0.000 0.809 168 L CB 0.679 42.705 42.059 -0.055 0.000 1.124 168 L HN 0.538 nan 8.230 nan 0.000 0.456 169 D N -0.264 120.120 120.400 -0.027 0.000 2.643 169 D HA 0.320 4.960 4.640 -0.000 0.000 0.283 169 D C -2.553 173.738 176.300 -0.015 0.000 1.242 169 D CA -1.503 52.485 54.000 -0.020 0.000 0.863 169 D CB 1.182 41.973 40.800 -0.016 0.000 1.382 169 D HN 0.029 nan 8.370 nan 0.000 0.444 170 P HA -0.023 nan 4.420 nan 0.000 0.228 170 P C 0.970 178.269 177.300 -0.001 0.000 1.151 170 P CA 1.516 64.614 63.100 -0.004 0.000 0.770 170 P CB -0.015 31.683 31.700 -0.003 0.000 0.786 171 T N -5.027 109.525 114.554 -0.004 0.000 3.129 171 T HA 0.158 4.508 4.350 -0.000 0.000 0.251 171 T C 0.683 175.380 174.700 -0.004 0.000 1.117 171 T CA 0.142 62.240 62.100 -0.002 0.000 1.034 171 T CB -0.188 68.678 68.868 -0.004 0.000 0.968 171 T HN 0.032 nan 8.240 nan 0.000 0.526 172 K N 0.664 121.060 120.400 -0.007 0.000 2.211 172 K HA 0.633 4.953 4.320 -0.000 0.000 0.237 172 K C -0.828 175.768 176.600 -0.008 0.000 1.002 172 K CA -0.771 55.509 56.287 -0.012 0.000 0.885 172 K CB 1.798 34.286 32.500 -0.020 0.000 1.136 172 K HN -0.054 nan 8.250 nan 0.000 0.448 173 T N 1.443 115.989 114.554 -0.013 0.000 2.861 173 T HA 0.389 4.738 4.350 -0.000 0.000 0.287 173 T C -1.384 173.302 174.700 -0.023 0.000 1.003 173 T CA -0.688 61.407 62.100 -0.009 0.000 0.977 173 T CB 1.075 69.934 68.868 -0.015 0.000 0.996 173 T HN 0.297 nan 8.240 nan 0.000 0.448 174 L N 3.790 124.999 121.223 -0.023 0.000 2.317 174 L HA 0.811 5.151 4.340 -0.000 0.000 0.281 174 L C -1.342 175.500 176.870 -0.047 0.000 1.024 174 L CA -0.879 53.934 54.840 -0.046 0.000 0.810 174 L CB 1.277 43.304 42.059 -0.052 0.000 1.240 174 L HN 0.561 nan 8.230 nan 0.000 0.427 175 L N 5.853 127.031 121.223 -0.076 0.000 2.287 175 L HA 0.627 4.967 4.340 -0.000 0.000 0.287 175 L C -1.127 175.655 176.870 -0.147 0.000 1.022 175 L CA -0.195 54.588 54.840 -0.095 0.000 0.814 175 L CB 1.646 43.651 42.059 -0.090 0.000 1.217 175 L HN 0.443 nan 8.230 nan 0.000 0.420 176 V N 6.212 126.045 119.914 -0.135 0.000 2.347 176 V HA 0.410 4.530 4.120 -0.000 0.000 0.280 176 V C -0.078 175.901 176.094 -0.192 0.000 1.021 176 V CA -0.678 61.533 62.300 -0.148 0.000 0.847 176 V CB 1.547 33.312 31.823 -0.097 0.000 0.990 176 V HN 0.546 nan 8.190 nan 0.000 0.444 177 V N 3.927 123.695 119.914 -0.243 0.000 2.509 177 V HA 0.630 4.750 4.120 -0.000 0.000 0.284 177 V C 1.191 177.192 176.094 -0.155 0.000 1.047 177 V CA 0.548 62.667 62.300 -0.303 0.000 0.952 177 V CB 0.974 32.575 31.823 -0.370 0.000 0.988 177 V HN 1.205 nan 8.190 nan 0.000 0.469 178 G N 3.882 112.612 108.800 -0.117 0.000 2.246 178 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.273 178 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.273 178 G C 0.819 175.687 174.900 -0.054 0.000 1.055 178 G CA 0.470 45.533 45.100 -0.060 0.000 0.851 178 G HN 1.434 nan 8.290 nan 0.000 0.500 179 A N -0.683 122.101 122.820 -0.061 0.000 2.216 179 A HA 0.431 4.751 4.320 -0.000 0.000 0.214 179 A C 2.348 179.915 177.584 -0.029 0.000 1.160 179 A CA 2.042 54.050 52.037 -0.048 0.000 0.725 179 A CB -0.071 18.899 19.000 -0.050 0.000 0.784 179 A HN 1.603 nan 8.150 nan 0.000 0.472 180 G N -1.004 107.783 108.800 -0.021 0.000 3.126 180 G HA2 0.413 4.372 3.960 -0.000 0.000 0.224 180 G HA3 0.413 4.372 3.960 -0.000 0.000 0.224 180 G C 0.732 175.626 174.900 -0.009 0.000 1.142 180 G CA 0.572 45.665 45.100 -0.012 0.000 0.759 180 G HN 0.665 nan 8.290 nan 0.000 0.550 181 G N -0.390 108.403 108.800 -0.012 0.000 2.563 181 G HA2 0.414 4.374 3.960 -0.000 0.000 0.283 181 G HA3 0.414 4.374 3.960 -0.000 0.000 0.283 181 G C 1.278 176.173 174.900 -0.008 0.000 1.309 181 G CA 0.172 45.268 45.100 -0.007 0.000 1.022 181 G HN 0.178 nan 8.290 nan 0.000 0.501 182 G N -0.773 108.023 108.800 -0.006 0.000 2.459 182 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 182 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 182 G C 1.669 176.568 174.900 -0.003 0.000 1.183 182 G CA 0.916 46.014 45.100 -0.003 0.000 0.776 182 G HN 0.335 nan 8.290 nan 0.000 0.552 183 L N 1.596 122.815 121.223 -0.007 0.000 2.046 183 L HA 0.109 4.449 4.340 -0.000 0.000 0.208 183 L C 3.088 179.949 176.870 -0.015 0.000 1.077 183 L CA 1.674 56.510 54.840 -0.007 0.000 0.747 183 L CB -1.265 40.786 42.059 -0.014 0.000 0.896 183 L HN 0.265 nan 8.230 nan 0.000 0.432 184 G N -1.226 107.560 108.800 -0.023 0.000 2.421 184 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.216 184 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.216 184 G C 1.588 176.472 174.900 -0.027 0.000 1.171 184 G CA 1.494 46.575 45.100 -0.032 0.000 0.775 184 G HN 0.467 nan 8.290 nan 0.000 0.543 185 T N -1.083 113.460 114.554 -0.018 0.000 2.788 185 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 185 T C 2.299 176.992 174.700 -0.012 0.000 1.044 185 T CA 1.704 63.795 62.100 -0.015 0.000 1.139 185 T CB -0.227 68.635 68.868 -0.010 0.000 0.867 185 T HN 0.146 nan 8.240 nan 0.000 0.454 186 M N 2.529 122.125 119.600 -0.006 0.000 2.117 186 M HA 0.264 4.743 4.480 -0.000 0.000 0.262 186 M C 2.477 178.775 176.300 -0.003 0.000 1.065 186 M CA 1.428 56.729 55.300 0.002 0.000 1.114 186 M CB -1.077 31.530 32.600 0.013 0.000 1.361 186 M HN 0.333 nan 8.290 nan 0.000 0.408 187 A N -0.846 121.966 122.820 -0.014 0.000 1.902 187 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 187 A C 2.194 179.756 177.584 -0.036 0.000 1.181 187 A CA 2.052 54.071 52.037 -0.029 0.000 0.623 187 A CB -1.313 17.661 19.000 -0.043 0.000 0.818 187 A HN 0.391 nan 8.150 nan 0.000 0.443 188 V N -0.009 119.885 119.914 -0.032 0.000 2.295 188 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 188 V C 2.680 178.759 176.094 -0.025 0.000 1.049 188 V CA 2.289 64.571 62.300 -0.031 0.000 1.024 188 V CB -0.903 30.904 31.823 -0.027 0.000 0.648 188 V HN 0.634 nan 8.190 nan 0.000 0.447 189 Q N -0.653 119.137 119.800 -0.018 0.000 2.084 189 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 189 Q C 2.279 178.271 176.000 -0.012 0.000 0.978 189 Q CA 1.894 57.690 55.803 -0.013 0.000 0.844 189 Q CB -0.238 28.497 28.738 -0.005 0.000 0.898 189 Q HN 0.596 nan 8.270 nan 0.000 0.426 190 I N 0.443 121.007 120.570 -0.011 0.000 2.202 190 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 190 I C 2.444 178.532 176.117 -0.049 0.000 1.091 190 I CA 0.905 62.196 61.300 -0.015 0.000 1.368 190 I CB -0.417 37.578 38.000 -0.008 0.000 1.058 190 I HN 0.131 nan 8.210 nan 0.000 0.410 191 A N 0.850 123.635 122.820 -0.057 0.000 1.940 191 A HA -0.282 4.037 4.320 -0.000 0.000 0.219 191 A C 2.301 179.858 177.584 -0.045 0.000 1.176 191 A CA 2.172 54.171 52.037 -0.064 0.000 0.631 191 A CB -0.502 18.462 19.000 -0.059 0.000 0.814 191 A HN 0.356 nan 8.150 nan 0.000 0.446 192 K N -0.180 120.201 120.400 -0.033 0.000 2.097 192 K HA 0.068 4.388 4.320 -0.000 0.000 0.205 192 K C 1.908 178.495 176.600 -0.022 0.000 1.050 192 K CA 1.401 57.673 56.287 -0.025 0.000 0.938 192 K CB -0.347 32.139 32.500 -0.023 0.000 0.718 192 K HN 0.309 nan 8.250 nan 0.000 0.442 193 A N 0.185 122.993 122.820 -0.019 0.000 1.970 193 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 193 A C 1.969 179.545 177.584 -0.013 0.000 1.170 193 A CA 1.339 53.370 52.037 -0.011 0.000 0.645 193 A CB -0.256 18.745 19.000 0.001 0.000 0.816 193 A HN 0.285 nan 8.150 nan 0.000 0.447 194 V N -2.985 116.910 119.914 -0.031 0.000 3.605 194 V HA 0.171 4.291 4.120 -0.000 0.000 0.284 194 V C 1.487 177.553 176.094 -0.047 0.000 1.386 194 V CA 1.410 63.686 62.300 -0.041 0.000 1.053 194 V CB 0.022 31.794 31.823 -0.085 0.000 0.857 194 V HN 0.582 nan 8.190 nan 0.000 0.436 195 S N -0.786 114.887 115.700 -0.044 0.000 2.670 195 S HA 0.477 4.947 4.470 -0.000 0.000 0.241 195 S C 1.876 176.461 174.600 -0.026 0.000 1.077 195 S CA 1.115 59.291 58.200 -0.041 0.000 0.899 195 S CB 0.676 63.845 63.200 -0.052 0.000 0.835 195 S HN 1.763 nan 8.310 nan 0.000 0.481 196 G N 1.655 110.443 108.800 -0.020 0.000 2.205 196 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.261 196 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.261 196 G C 0.386 175.281 174.900 -0.008 0.000 0.980 196 G CA 0.163 45.256 45.100 -0.012 0.000 0.632 196 G HN 1.376 nan 8.290 nan 0.000 0.533 197 A N 0.143 122.955 122.820 -0.013 0.000 2.366 197 A HA 0.662 4.982 4.320 -0.000 0.000 0.249 197 A C 0.828 178.419 177.584 0.010 0.000 1.084 197 A CA 1.048 53.081 52.037 -0.006 0.000 0.794 197 A CB 0.290 19.280 19.000 -0.018 0.000 1.034 197 A HN 0.774 nan 8.150 nan 0.000 0.491 198 T N 1.719 116.291 114.554 0.031 0.000 2.870 198 T HA 0.411 4.761 4.350 -0.000 0.000 0.300 198 T C -0.025 174.715 174.700 0.066 0.000 0.989 198 T CA 0.715 62.859 62.100 0.074 0.000 1.139 198 T CB -0.213 68.727 68.868 0.119 0.000 0.920 198 T HN 0.363 nan 8.240 nan 0.000 0.537 199 I N 4.118 124.735 120.570 0.078 0.000 2.406 199 I HA 0.460 4.630 4.170 -0.000 0.000 0.290 199 I C -0.266 175.911 176.117 0.100 0.000 0.999 199 I CA -0.663 60.667 61.300 0.050 0.000 1.124 199 I CB 1.434 39.440 38.000 0.010 0.000 1.289 199 I HN 0.432 nan 8.210 nan 0.000 0.441 200 I N 5.031 125.644 120.570 0.071 0.000 2.406 200 I HA 0.530 4.700 4.170 -0.000 0.000 0.290 200 I C 0.399 176.527 176.117 0.018 0.000 0.999 200 I CA -0.463 60.889 61.300 0.087 0.000 1.124 200 I CB 1.943 39.972 38.000 0.049 0.000 1.289 200 I HN 0.632 nan 8.210 nan 0.000 0.441 201 G N 4.888 113.701 108.800 0.022 0.000 2.415 201 G HA2 0.579 4.539 3.960 -0.000 0.000 0.327 201 G HA3 0.579 4.539 3.960 -0.000 0.000 0.327 201 G C -1.480 173.408 174.900 -0.020 0.000 1.182 201 G CA -0.486 44.602 45.100 -0.020 0.000 0.924 201 G HN 0.384 nan 8.290 nan 0.000 0.470 202 V N 1.977 121.852 119.914 -0.066 0.000 2.604 202 V HA 0.761 4.881 4.120 -0.000 0.000 0.305 202 V C -1.354 174.710 176.094 -0.051 0.000 1.043 202 V CA -0.654 61.616 62.300 -0.050 0.000 0.888 202 V CB 1.939 33.713 31.823 -0.082 0.000 0.995 202 V HN 0.819 nan 8.190 nan 0.000 0.429 203 D N 2.179 122.577 120.400 -0.003 0.000 2.759 203 D HA 0.410 5.049 4.640 -0.000 0.000 0.321 203 D C -0.057 176.261 176.300 0.030 0.000 1.267 203 D CA 0.351 54.354 54.000 0.005 0.000 0.933 203 D CB 2.579 43.377 40.800 -0.003 0.000 1.431 203 D HN 0.569 nan 8.370 nan 0.000 0.504 204 V N -1.466 118.464 119.914 0.026 0.000 3.432 204 V HA 0.546 4.665 4.120 -0.000 0.000 0.298 204 V C 0.273 176.380 176.094 0.021 0.000 1.464 204 V CA -0.074 62.245 62.300 0.031 0.000 1.046 204 V CB 0.143 31.985 31.823 0.032 0.000 0.887 204 V HN 0.242 nan 8.190 nan 0.000 0.441 205 R N -0.314 120.195 120.500 0.016 0.000 2.744 205 R HA 0.700 5.040 4.340 -0.000 0.000 0.279 205 R C 1.274 177.582 176.300 0.012 0.000 0.977 205 R CA 0.161 56.269 56.100 0.013 0.000 0.906 205 R CB 1.774 32.080 30.300 0.010 0.000 1.197 205 R HN 0.148 nan 8.270 nan 0.000 0.463 206 E N 1.809 122.016 120.200 0.012 0.000 2.085 206 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 206 E C 1.333 177.938 176.600 0.008 0.000 0.994 206 E CA 2.039 58.446 56.400 0.011 0.000 0.801 206 E CB -0.438 nan 29.700 nan 0.000 0.743 206 E HN 0.715 nan 8.360 nan 0.000 0.453 207 E N 0.297 120.501 120.200 0.007 0.000 2.077 207 E HA 0.063 4.413 4.350 -0.000 0.000 0.193 207 E C 2.275 178.878 176.600 0.004 0.000 0.989 207 E CA 1.332 57.736 56.400 0.005 0.000 0.800 207 E CB -0.383 29.321 29.700 0.006 0.000 0.746 207 E HN 0.560 nan 8.360 nan 0.000 0.452 208 A N 0.557 123.380 122.820 0.005 0.000 1.968 208 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 208 A C 2.429 180.014 177.584 0.001 0.000 1.169 208 A CA 0.987 53.026 52.037 0.003 0.000 0.638 208 A CB -0.517 18.485 19.000 0.004 0.000 0.812 208 A HN 0.151 nan 8.150 nan 0.000 0.446 209 V N 0.057 119.974 119.914 0.005 0.000 2.358 209 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 209 V C 2.598 178.693 176.094 0.003 0.000 1.047 209 V CA 2.026 64.330 62.300 0.007 0.000 1.035 209 V CB -0.584 31.247 31.823 0.014 0.000 0.658 209 V HN 0.497 nan 8.190 nan 0.000 0.452 210 E N 0.289 120.490 120.200 0.002 0.000 2.110 210 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 210 E C 2.341 178.939 176.600 -0.005 0.000 0.988 210 E CA 1.501 57.900 56.400 -0.001 0.000 0.804 210 E CB -0.336 29.363 29.700 -0.001 0.000 0.745 210 E HN 0.555 nan 8.360 nan 0.000 0.458 211 A N 0.982 123.799 122.820 -0.004 0.000 1.969 211 A HA -0.055 4.264 4.320 -0.000 0.000 0.218 211 A C 2.365 179.943 177.584 -0.009 0.000 1.169 211 A CA 1.801 53.834 52.037 -0.006 0.000 0.635 211 A CB -0.415 18.582 19.000 -0.004 0.000 0.810 211 A HN 0.267 nan 8.150 nan 0.000 0.445 212 A N -0.289 122.525 122.820 -0.009 0.000 1.930 212 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 212 A C 2.120 179.696 177.584 -0.014 0.000 1.175 212 A CA 1.885 53.915 52.037 -0.012 0.000 0.627 212 A CB -0.382 18.612 19.000 -0.011 0.000 0.815 212 A HN 0.527 nan 8.150 nan 0.000 0.443 213 K N -0.656 119.736 120.400 -0.013 0.000 2.057 213 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 213 K C 2.273 178.859 176.600 -0.024 0.000 1.050 213 K CA 1.213 57.487 56.287 -0.021 0.000 0.935 213 K CB -0.130 32.359 32.500 -0.019 0.000 0.715 213 K HN 0.357 nan 8.250 nan 0.000 0.439 214 R N -0.192 120.298 120.500 -0.018 0.000 2.120 214 R HA -0.065 4.275 4.340 -0.000 0.000 0.234 214 R C 2.037 178.326 176.300 -0.018 0.000 1.123 214 R CA 1.270 57.359 56.100 -0.017 0.000 0.975 214 R CB -0.163 30.129 30.300 -0.012 0.000 0.866 214 R HN 0.219 nan 8.270 nan 0.000 0.446 215 A N -0.814 121.996 122.820 -0.017 0.000 2.168 215 A HA 0.138 4.458 4.320 -0.000 0.000 0.215 215 A C 1.421 178.992 177.584 -0.020 0.000 1.152 215 A CA 1.200 53.227 52.037 -0.017 0.000 0.716 215 A CB -0.014 18.977 19.000 -0.015 0.000 0.794 215 A HN 0.472 nan 8.150 nan 0.000 0.465 216 G N -2.741 106.044 108.800 -0.026 0.000 2.227 216 G HA2 0.234 4.194 3.960 -0.000 0.000 0.168 216 G HA3 0.234 4.194 3.960 -0.000 0.000 0.168 216 G C 0.335 175.212 174.900 -0.037 0.000 1.006 216 G CA -0.003 45.078 45.100 -0.031 0.000 0.684 216 G HN 1.404 nan 8.290 nan 0.000 0.489 217 A N 0.552 123.353 122.820 -0.032 0.000 2.511 217 A HA 0.485 4.805 4.320 -0.000 0.000 0.242 217 A C 1.253 178.799 177.584 -0.064 0.000 1.069 217 A CA 0.967 52.988 52.037 -0.026 0.000 0.763 217 A CB 0.283 19.278 19.000 -0.007 0.000 1.001 217 A HN 0.211 nan 8.150 nan 0.000 0.498 218 D N 0.029 120.385 120.400 -0.073 0.000 2.194 218 D HA 0.016 4.656 4.640 -0.000 0.000 0.204 218 D C -0.460 175.531 176.300 -0.514 0.000 0.964 218 D CA 1.787 55.634 54.000 -0.256 0.000 0.846 218 D CB 0.042 40.730 40.800 -0.186 0.000 0.962 218 D HN 0.643 nan 8.370 nan 0.000 0.490 219 Y N -0.659 119.633 120.300 -0.012 0.000 2.492 219 Y HA 0.363 4.913 4.550 0.000 0.000 0.346 219 Y C -0.130 175.764 175.900 -0.010 0.000 0.997 219 Y CA -1.288 56.807 58.100 -0.008 0.000 1.025 219 Y CB 2.207 40.664 38.460 -0.004 0.000 1.263 219 Y HN -0.325 nan 8.280 nan 0.000 0.454 220 V N 0.708 120.710 119.914 0.146 0.000 2.823 220 V HA 0.767 4.887 4.120 -0.000 0.000 0.312 220 V C -0.954 175.188 176.094 0.081 0.000 1.072 220 V CA -1.044 61.305 62.300 0.082 0.000 0.937 220 V CB 2.272 34.117 31.823 0.038 0.000 1.013 220 V HN 0.701 nan 8.190 nan 0.000 0.430 221 I N 2.862 123.468 120.570 0.059 0.000 2.466 221 I HA 0.448 4.617 4.170 -0.000 0.000 0.289 221 I C -0.769 175.379 176.117 0.051 0.000 1.026 221 I CA -0.480 60.856 61.300 0.060 0.000 1.078 221 I CB 2.131 40.172 38.000 0.069 0.000 1.249 221 I HN 0.734 nan 8.210 nan 0.000 0.429 222 N N 4.810 123.539 118.700 0.049 0.000 2.500 222 N HA 0.320 5.060 4.740 -0.000 0.000 0.236 222 N C 0.527 176.070 175.510 0.055 0.000 1.022 222 N CA -0.140 52.937 53.050 0.044 0.000 0.935 222 N CB 1.796 40.303 38.487 0.034 0.000 1.147 222 N HN 0.780 nan 8.380 nan 0.000 0.512 223 A N 2.477 125.341 122.820 0.073 0.000 2.168 223 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 223 A C 1.761 179.382 177.584 0.062 0.000 1.152 223 A CA 0.838 52.929 52.037 0.090 0.000 0.716 223 A CB -0.023 19.069 19.000 0.154 0.000 0.794 223 A HN 0.609 nan 8.150 nan 0.000 0.465 224 S N -0.780 114.948 115.700 0.047 0.000 2.496 224 S HA 0.087 4.557 4.470 -0.000 0.000 0.224 224 S C 1.681 176.297 174.600 0.027 0.000 0.996 224 S CA 0.756 58.976 58.200 0.032 0.000 0.927 224 S CB -0.023 63.192 63.200 0.025 0.000 0.774 224 S HN 0.519 nan 8.310 nan 0.000 0.524 225 M N -0.004 119.614 119.600 0.030 0.000 2.800 225 M HA 0.307 4.787 4.480 -0.000 0.000 0.257 225 M C -0.042 176.273 176.300 0.025 0.000 1.309 225 M CA 0.847 56.162 55.300 0.024 0.000 1.202 225 M CB -0.472 32.143 32.600 0.024 0.000 1.273 225 M HN 0.112 nan 8.290 nan 0.000 0.528 226 Q N 0.958 120.777 119.800 0.032 0.000 2.306 226 Q HA 0.238 4.578 4.340 -0.000 0.000 0.265 226 Q C -0.647 175.374 176.000 0.035 0.000 1.022 226 Q CA -0.397 55.424 55.803 0.031 0.000 0.853 226 Q CB 1.334 30.093 28.738 0.035 0.000 1.327 226 Q HN 0.030 nan 8.270 nan 0.000 0.449 227 D N 2.978 123.394 120.400 0.026 0.000 2.412 227 D HA -0.026 4.614 4.640 -0.000 0.000 0.257 227 D C -1.541 174.782 176.300 0.039 0.000 1.217 227 D CA -1.197 52.817 54.000 0.023 0.000 0.897 227 D CB 0.999 41.806 40.800 0.012 0.000 1.132 227 D HN 0.282 nan 8.370 nan 0.000 0.493 228 P HA -0.106 nan 4.420 nan 0.000 0.217 228 P C 1.918 179.275 177.300 0.095 0.000 1.151 228 P CA 0.573 63.738 63.100 0.110 0.000 0.828 228 P CB 0.395 32.224 31.700 0.215 0.000 0.788 229 L N -0.432 120.819 121.223 0.047 0.000 2.083 229 L HA -0.115 4.224 4.340 -0.000 0.000 0.209 229 L C 2.784 179.673 176.870 0.031 0.000 1.083 229 L CA 1.580 56.444 54.840 0.040 0.000 0.752 229 L CB -1.175 40.885 42.059 0.002 0.000 0.899 229 L HN -0.045 nan 8.230 nan 0.000 0.433 230 A N -0.177 122.655 122.820 0.021 0.000 1.929 230 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 230 A C 2.196 179.786 177.584 0.010 0.000 1.176 230 A CA 1.621 53.666 52.037 0.013 0.000 0.628 230 A CB -0.327 18.679 19.000 0.009 0.000 0.816 230 A HN 0.351 nan 8.150 nan 0.000 0.444 231 E N 0.372 120.584 120.200 0.019 0.000 2.107 231 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 231 E C 1.661 178.253 176.600 -0.013 0.000 0.982 231 E CA 1.126 57.532 56.400 0.009 0.000 0.809 231 E CB -0.398 29.319 29.700 0.027 0.000 0.756 231 E HN 0.630 nan 8.360 nan 0.000 0.459 232 I N 0.335 120.911 120.570 0.011 0.000 2.226 232 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 232 I C 2.317 178.415 176.117 -0.032 0.000 1.100 232 I CA 0.952 62.247 61.300 -0.007 0.000 1.374 232 I CB -0.247 37.783 38.000 0.050 0.000 1.057 232 I HN 0.050 nan 8.210 nan 0.000 0.413 233 R N 0.429 120.922 120.500 -0.011 0.000 2.096 233 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 233 R C 2.246 178.524 176.300 -0.037 0.000 1.127 233 R CA 1.185 57.275 56.100 -0.017 0.000 0.968 233 R CB -0.841 29.458 30.300 -0.003 0.000 0.861 233 R HN 0.415 nan 8.270 nan 0.000 0.440 234 R N 0.492 120.967 120.500 -0.042 0.000 2.066 234 R HA -0.007 4.333 4.340 -0.000 0.000 0.232 234 R C 2.368 178.610 176.300 -0.097 0.000 1.131 234 R CA 1.187 57.257 56.100 -0.050 0.000 0.955 234 R CB -0.243 30.035 30.300 -0.036 0.000 0.851 234 R HN 0.104 nan 8.270 nan 0.000 0.432 235 I N 0.461 120.935 120.570 -0.160 0.000 2.208 235 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 235 I C 1.990 177.958 176.117 -0.248 0.000 1.097 235 I CA 1.866 62.974 61.300 -0.319 0.000 1.363 235 I CB -0.283 37.403 38.000 -0.523 0.000 1.051 235 I HN 0.361 nan 8.210 nan 0.000 0.413 236 T N -2.505 111.955 114.554 -0.155 0.000 3.188 236 T HA 0.139 4.489 4.350 -0.000 0.000 0.250 236 T C 0.501 175.165 174.700 -0.060 0.000 1.077 236 T CA -0.261 61.779 62.100 -0.099 0.000 0.967 236 T CB -0.416 68.411 68.868 -0.067 0.000 1.006 236 T HN 0.417 nan 8.240 nan 0.000 0.552 237 E N 0.841 121.006 120.200 -0.059 0.000 2.297 237 E HA -0.239 4.111 4.350 -0.000 0.000 0.228 237 E C 0.325 176.912 176.600 -0.022 0.000 1.213 237 E CA 0.312 56.692 56.400 -0.034 0.000 0.712 237 E CB -2.142 27.542 29.700 -0.026 0.000 1.202 237 E HN 0.644 nan 8.360 nan 0.000 0.376 238 S N -2.574 113.113 115.700 -0.021 0.000 2.857 238 S HA -0.303 4.167 4.470 -0.000 0.000 0.268 238 S C 1.255 175.852 174.600 -0.006 0.000 1.297 238 S CA 1.756 59.950 58.200 -0.010 0.000 1.280 238 S CB -0.754 62.443 63.200 -0.006 0.000 1.562 238 S HN 0.541 nan 8.310 nan 0.000 0.661 239 K N 1.737 122.130 120.400 -0.011 0.000 2.103 239 K HA 0.228 4.548 4.320 -0.000 0.000 0.204 239 K C 1.224 177.823 176.600 -0.001 0.000 1.052 239 K CA 1.325 57.608 56.287 -0.006 0.000 0.945 239 K CB -0.295 32.198 32.500 -0.012 0.000 0.722 239 K HN 0.838 nan 8.250 nan 0.000 0.443 240 G N 0.172 108.970 108.800 -0.004 0.000 2.685 240 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.387 240 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.387 240 G C -0.532 174.366 174.900 -0.003 0.000 1.324 240 G CA -0.363 44.741 45.100 0.007 0.000 0.878 240 G HN 0.471 nan 8.290 nan 0.000 0.527 241 V N -2.628 117.288 119.914 0.004 0.000 2.713 241 V HA 0.733 4.852 4.120 -0.000 0.000 0.307 241 V C 0.864 176.947 176.094 -0.018 0.000 1.052 241 V CA 0.254 62.548 62.300 -0.011 0.000 0.967 241 V CB 1.939 33.755 31.823 -0.011 0.000 1.019 241 V HN 0.724 nan 8.190 nan 0.000 0.459 242 D N 1.970 122.353 120.400 -0.028 0.000 2.347 242 D HA 0.337 4.976 4.640 -0.000 0.000 0.213 242 D C 0.629 176.898 176.300 -0.052 0.000 0.985 242 D CA 1.524 55.503 54.000 -0.035 0.000 0.879 242 D CB 1.042 41.824 40.800 -0.031 0.000 0.919 242 D HN 0.922 nan 8.370 nan 0.000 0.526 243 A N 0.155 122.937 122.820 -0.063 0.000 2.604 243 A HA 0.532 4.852 4.320 -0.000 0.000 0.295 243 A C -1.350 176.157 177.584 -0.129 0.000 1.067 243 A CA -0.564 51.415 52.037 -0.096 0.000 0.683 243 A CB 1.799 20.741 19.000 -0.096 0.000 1.281 243 A HN -0.084 nan 8.150 nan 0.000 0.407 244 V N 1.651 121.430 119.914 -0.225 0.000 2.656 244 V HA 0.529 4.648 4.120 -0.000 0.000 0.307 244 V C -0.720 175.123 176.094 -0.419 0.000 1.051 244 V CA -0.256 61.837 62.300 -0.344 0.000 0.893 244 V CB 1.765 33.260 31.823 -0.547 0.000 0.999 244 V HN 0.716 nan 8.190 nan 0.000 0.426 245 I N 3.493 123.875 120.570 -0.313 0.000 2.355 245 I HA 0.398 4.568 4.170 -0.000 0.000 0.288 245 I C -0.873 175.102 176.117 -0.237 0.000 0.999 245 I CA -0.214 60.938 61.300 -0.247 0.000 1.163 245 I CB 1.671 39.582 38.000 -0.148 0.000 1.316 245 I HN 0.530 nan 8.210 nan 0.000 0.454 246 D N 8.088 128.365 120.400 -0.204 0.000 2.472 246 D HA 0.387 5.027 4.640 -0.000 0.000 0.234 246 D C -0.918 175.416 176.300 0.056 0.000 1.088 246 D CA -0.385 53.580 54.000 -0.059 0.000 0.882 246 D CB 0.792 41.632 40.800 0.066 0.000 1.037 246 D HN 0.184 nan 8.370 nan 0.000 0.520 247 L N 3.377 124.600 121.223 -0.001 0.000 2.292 247 L HA 0.352 4.692 4.340 -0.000 0.000 0.284 247 L C 0.886 177.736 176.870 -0.033 0.000 1.065 247 L CA -0.586 54.251 54.840 -0.005 0.000 0.806 247 L CB 0.539 42.580 42.059 -0.030 0.000 1.175 247 L HN 0.272 nan 8.230 nan 0.000 0.431 248 N N 1.764 120.405 118.700 -0.098 0.000 2.671 248 N HA -0.253 4.486 4.740 -0.000 0.000 0.261 248 N C -0.589 174.800 175.510 -0.200 0.000 1.053 248 N CA 0.614 53.529 53.050 -0.226 0.000 0.732 248 N CB -1.058 37.329 38.487 -0.167 0.000 0.887 248 N HN 0.676 nan 8.380 nan 0.000 0.546 249 Y N -0.623 119.724 120.300 0.078 0.000 2.459 249 Y HA 0.431 4.982 4.550 0.000 0.000 0.349 249 Y C 1.088 177.052 175.900 0.107 0.000 1.266 249 Y CA -0.651 57.522 58.100 0.122 0.000 1.483 249 Y CB 0.379 38.955 38.460 0.193 0.000 1.362 249 Y HN 0.278 nan 8.280 nan 0.000 0.628 250 S N -0.493 115.423 115.700 0.361 0.000 2.732 250 S HA 0.285 4.755 4.470 -0.000 0.000 0.293 250 S C 0.559 175.382 174.600 0.371 0.000 1.159 250 S CA -0.376 57.958 58.200 0.224 0.000 0.847 250 S CB 1.564 64.712 63.200 -0.088 0.000 1.169 250 S HN 0.890 nan 8.310 nan 0.000 0.501 251 E N 0.704 121.117 120.200 0.356 0.000 2.153 251 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 251 E C 1.547 178.253 176.600 0.176 0.000 0.988 251 E CA 1.108 57.666 56.400 0.262 0.000 0.811 251 E CB -0.148 29.699 29.700 0.246 0.000 0.746 251 E HN 0.623 nan 8.360 nan 0.000 0.466 252 K N -0.158 120.329 120.400 0.145 0.000 2.001 252 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 252 K C 2.480 179.166 176.600 0.143 0.000 1.048 252 K CA 1.892 58.244 56.287 0.109 0.000 0.932 252 K CB -0.321 32.226 32.500 0.079 0.000 0.715 252 K HN 0.287 nan 8.250 nan 0.000 0.437 253 T N 0.530 115.221 114.554 0.228 0.000 2.708 253 T HA -0.117 4.232 4.350 -0.000 0.000 0.266 253 T C 2.004 176.915 174.700 0.352 0.000 1.037 253 T CA 1.009 63.342 62.100 0.388 0.000 1.146 253 T CB -0.576 68.553 68.868 0.435 0.000 0.865 253 T HN 0.082 nan 8.240 nan 0.000 0.435 254 L N 2.032 123.407 121.223 0.254 0.000 2.265 254 L HA -0.049 4.291 4.340 -0.000 0.000 0.215 254 L C 3.099 179.999 176.870 0.050 0.000 1.117 254 L CA 1.441 56.337 54.840 0.094 0.000 0.782 254 L CB -0.745 41.318 42.059 0.006 0.000 0.914 254 L HN 0.546 nan 8.230 nan 0.000 0.441 255 S N -1.845 113.906 115.700 0.086 0.000 2.478 255 S HA 0.013 4.483 4.470 -0.000 0.000 0.222 255 S C 1.627 176.249 174.600 0.037 0.000 1.008 255 S CA 0.281 58.526 58.200 0.076 0.000 0.928 255 S CB 0.130 63.369 63.200 0.066 0.000 0.781 255 S HN 0.144 nan 8.310 nan 0.000 0.518 256 V N 0.068 119.962 119.914 -0.034 0.000 2.599 256 V HA 0.143 4.263 4.120 -0.000 0.000 0.237 256 V C 1.938 177.908 176.094 -0.208 0.000 1.081 256 V CA 0.821 62.992 62.300 -0.215 0.000 1.107 256 V CB -0.920 30.583 31.823 -0.533 0.000 0.808 256 V HN 0.408 nan 8.190 nan 0.000 0.486 257 Y N 0.505 120.920 120.300 0.192 0.000 2.421 257 Y HA -0.032 4.518 4.550 -0.000 0.000 0.292 257 Y C -0.278 175.798 175.900 0.295 0.000 1.136 257 Y CA 0.697 58.961 58.100 0.272 0.000 1.255 257 Y CB -1.987 36.694 38.460 0.368 0.000 0.991 257 Y HN 0.388 nan 8.280 nan 0.000 0.552 258 P HA -0.153 nan 4.420 nan 0.000 0.222 258 P C 0.915 178.300 177.300 0.143 0.000 1.147 258 P CA 1.708 64.816 63.100 0.014 0.000 0.790 258 P CB -0.020 31.509 31.700 -0.285 0.000 0.780 259 K N -0.631 119.886 120.400 0.195 0.000 2.362 259 K HA 0.033 4.353 4.320 -0.000 0.000 0.200 259 K C 1.791 178.466 176.600 0.126 0.000 1.046 259 K CA 1.011 57.400 56.287 0.170 0.000 0.952 259 K CB -0.301 32.264 32.500 0.109 0.000 0.753 259 K HN 0.082 nan 8.250 nan 0.000 0.466 260 A N 0.950 123.862 122.820 0.154 0.000 2.251 260 A HA 0.104 4.424 4.320 -0.000 0.000 0.209 260 A C 0.681 178.325 177.584 0.101 0.000 1.187 260 A CA -0.023 52.096 52.037 0.137 0.000 0.823 260 A CB -0.145 18.982 19.000 0.211 0.000 0.846 260 A HN 0.107 nan 8.150 nan 0.000 0.486 261 L N 0.792 122.073 121.223 0.096 0.000 2.416 261 L HA 0.366 4.705 4.340 -0.000 0.000 0.272 261 L C 0.930 177.815 176.870 0.025 0.000 1.161 261 L CA -0.514 54.352 54.840 0.044 0.000 0.845 261 L CB 0.845 42.903 42.059 -0.002 0.000 1.119 261 L HN 0.306 nan 8.230 nan 0.000 0.464 262 A N 4.342 127.166 122.820 0.006 0.000 2.296 262 A HA 0.300 4.620 4.320 -0.000 0.000 0.264 262 A C 0.091 177.671 177.584 -0.006 0.000 1.097 262 A CA -0.506 51.532 52.037 0.002 0.000 0.811 262 A CB 0.241 19.237 19.000 -0.006 0.000 1.072 262 A HN 0.716 nan 8.150 nan 0.000 0.495 263 K N 0.463 120.862 120.400 -0.001 0.000 2.485 263 K HA 0.094 4.414 4.320 -0.000 0.000 0.277 263 K C 0.126 176.716 176.600 -0.016 0.000 0.990 263 K CA 0.717 57.001 56.287 -0.004 0.000 0.994 263 K CB 0.090 32.591 32.500 0.002 0.000 0.906 263 K HN 0.719 nan 8.250 nan 0.000 0.488 264 Q N -1.287 118.499 119.800 -0.024 0.000 2.348 264 Q HA -0.185 4.155 4.340 -0.000 0.000 0.221 264 Q C 0.404 176.373 176.000 -0.051 0.000 0.735 264 Q CA 0.698 56.481 55.803 -0.033 0.000 1.351 264 Q CB -1.838 26.887 28.738 -0.022 0.000 1.640 264 Q HN 0.904 nan 8.270 nan 0.000 0.667 265 G N 1.188 109.952 108.800 -0.060 0.000 2.432 265 G HA2 0.228 4.188 3.960 -0.000 0.000 0.239 265 G HA3 0.228 4.188 3.960 -0.000 0.000 0.239 265 G C -0.256 174.573 174.900 -0.119 0.000 1.291 265 G CA -0.159 44.896 45.100 -0.075 0.000 0.863 265 G HN 0.047 nan 8.290 nan 0.000 0.560 266 K N 0.999 121.335 120.400 -0.107 0.000 2.274 266 K HA 0.203 4.523 4.320 -0.000 0.000 0.262 266 K C -1.538 174.988 176.600 -0.123 0.000 0.961 266 K CA -0.649 55.564 56.287 -0.122 0.000 0.833 266 K CB 2.232 34.683 32.500 -0.083 0.000 1.102 266 K HN 0.539 nan 8.250 nan 0.000 0.436 267 Y N 2.982 123.106 120.300 -0.295 0.000 2.434 267 Y HA 0.187 4.737 4.550 -0.000 0.000 0.341 267 Y C -0.659 175.198 175.900 -0.071 0.000 0.965 267 Y CA -0.720 57.253 58.100 -0.213 0.000 1.205 267 Y CB 0.791 39.018 38.460 -0.389 0.000 1.121 267 Y HN 0.232 nan 8.280 nan 0.000 0.507 268 V N 8.077 127.888 119.914 -0.172 0.000 2.348 268 V HA 0.266 4.386 4.120 -0.000 0.000 0.270 268 V C -0.044 176.042 176.094 -0.014 0.000 1.037 268 V CA -0.383 61.886 62.300 -0.051 0.000 0.872 268 V CB 0.664 32.439 31.823 -0.081 0.000 1.002 268 V HN 0.767 nan 8.190 nan 0.000 0.464 269 M N 5.496 125.174 119.600 0.130 0.000 2.238 269 M HA 0.594 5.074 4.480 -0.000 0.000 0.350 269 M C -0.889 175.545 176.300 0.223 0.000 1.138 269 M CA -0.393 55.036 55.300 0.215 0.000 1.040 269 M CB 1.843 34.532 32.600 0.149 0.000 1.639 269 M HN 0.374 nan 8.290 nan 0.000 0.451 270 V N 2.303 122.383 119.914 0.275 0.000 2.588 270 V HA 0.994 5.114 4.120 -0.000 0.000 0.304 270 V C 0.256 176.433 176.094 0.138 0.000 1.042 270 V CA -0.408 61.991 62.300 0.164 0.000 0.877 270 V CB 1.407 33.265 31.823 0.058 0.000 0.996 270 V HN 1.109 nan 8.190 nan 0.000 0.425 271 G N 3.010 111.856 108.800 0.077 0.000 2.343 271 G HA2 0.022 3.982 3.960 -0.000 0.000 0.562 271 G HA3 0.022 3.982 3.960 -0.000 0.000 0.562 271 G C -0.825 174.059 174.900 -0.026 0.000 1.269 271 G CA -0.427 44.633 45.100 -0.068 0.000 1.011 271 G HN 0.761 nan 8.290 nan 0.000 0.498 272 L N -0.325 120.833 121.223 -0.109 0.000 3.358 272 L HA 0.372 4.712 4.340 -0.000 0.000 0.301 272 L C 0.463 177.321 176.870 -0.019 0.000 1.276 272 L CA -0.359 54.460 54.840 -0.035 0.000 1.028 272 L CB 0.492 42.482 42.059 -0.116 0.000 1.421 272 L HN 0.448 nan 8.230 nan 0.000 0.604 273 F N 1.702 121.490 119.950 -0.270 0.000 2.572 273 F HA 0.314 4.841 4.527 -0.000 0.000 0.370 273 F C 1.398 177.246 175.800 0.080 0.000 1.103 273 F CA -0.645 57.275 58.000 -0.133 0.000 1.286 273 F CB 0.990 39.847 39.000 -0.238 0.000 1.105 273 F HN 0.005 nan 8.300 nan 0.000 0.583 274 G N 5.707 113.901 108.800 -1.011 0.000 2.789 274 G HA2 0.454 4.414 3.960 -0.000 0.000 0.281 274 G HA3 0.454 4.414 3.960 -0.000 0.000 0.281 274 G C -0.513 173.890 174.900 -0.829 0.000 0.708 274 G CA 0.274 44.922 45.100 -0.754 0.000 2.067 274 G HN 0.922 nan 8.290 nan 0.000 0.554 275 A N 2.197 124.848 122.820 -0.282 0.000 2.515 275 A HA 0.775 5.095 4.320 -0.000 0.000 0.296 275 A C -0.848 176.687 177.584 -0.082 0.000 1.094 275 A CA -0.850 51.170 52.037 -0.029 0.000 0.718 275 A CB 1.804 21.037 19.000 0.388 0.000 1.307 275 A HN 0.391 nan 8.150 nan 0.000 0.408 276 D N 0.772 121.076 120.400 -0.159 0.000 2.248 276 D HA 0.423 5.063 4.640 -0.000 0.000 0.246 276 D C -1.012 174.991 176.300 -0.495 0.000 1.027 276 D CA -0.263 53.526 54.000 -0.353 0.000 0.853 276 D CB 2.326 42.846 40.800 -0.468 0.000 1.243 276 D HN 0.372 nan 8.370 nan 0.000 0.462 277 L N 3.359 124.296 121.223 -0.477 0.000 2.319 277 L HA 0.188 4.528 4.340 -0.000 0.000 0.280 277 L C -0.882 175.705 176.870 -0.473 0.000 1.099 277 L CA 0.120 54.683 54.840 -0.462 0.000 0.828 277 L CB 0.284 42.038 42.059 -0.510 0.000 1.150 277 L HN 0.294 nan 8.230 nan 0.000 0.442 278 H N 5.707 124.706 119.070 -0.118 0.000 2.800 278 H HA 0.409 4.965 4.556 -0.000 0.000 0.322 278 H C -1.573 173.768 175.328 0.022 0.000 0.979 278 H CA -0.317 55.697 56.048 -0.058 0.000 1.277 278 H CB 1.158 30.895 29.762 -0.042 0.000 1.484 278 H HN 0.628 nan 8.280 nan 0.000 0.512 279 Y N 1.103 121.380 120.300 -0.040 0.000 2.479 279 Y HA 0.115 4.665 4.550 -0.000 0.000 0.338 279 Y C -0.342 175.597 175.900 0.066 0.000 1.055 279 Y CA -0.848 57.239 58.100 -0.022 0.000 1.023 279 Y CB 1.227 39.598 38.460 -0.148 0.000 1.287 279 Y HN 0.625 nan 8.280 nan 0.000 0.447 280 H N 3.941 122.826 119.070 -0.309 0.000 3.017 280 H HA 0.360 4.916 4.556 -0.001 0.000 0.276 280 H C 0.867 176.205 175.328 0.017 0.000 1.062 280 H CA 0.553 56.514 56.048 -0.144 0.000 1.486 280 H CB 1.159 30.792 29.762 -0.215 0.000 1.507 280 H HN 0.841 nan 8.280 nan 0.000 0.508 281 A N 7.011 129.723 122.820 -0.181 0.000 1.917 281 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 281 A C -0.358 177.136 177.584 -0.150 0.000 1.182 281 A CA 1.454 53.427 52.037 -0.107 0.000 0.633 281 A CB -1.266 17.673 19.000 -0.101 0.000 0.819 281 A HN 0.659 nan 8.150 nan 0.000 0.448 282 P HA -0.117 nan 4.420 nan 0.000 0.218 282 P C 1.320 178.594 177.300 -0.044 0.000 1.148 282 P CA 0.800 63.772 63.100 -0.213 0.000 0.822 282 P CB -0.120 31.399 31.700 -0.302 0.000 0.784 283 L N -1.703 119.530 121.223 0.017 0.000 2.141 283 L HA -0.121 4.218 4.340 -0.000 0.000 0.209 283 L C 2.290 179.277 176.870 0.195 0.000 1.094 283 L CA 1.138 56.072 54.840 0.156 0.000 0.763 283 L CB -0.644 41.556 42.059 0.234 0.000 0.908 283 L HN -0.029 nan 8.230 nan 0.000 0.437 284 I N -0.274 120.419 120.570 0.204 0.000 2.233 284 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 284 I C 2.766 178.933 176.117 0.084 0.000 1.093 284 I CA 1.845 63.251 61.300 0.175 0.000 1.380 284 I CB -0.572 37.556 38.000 0.214 0.000 1.067 284 I HN 0.381 nan 8.210 nan 0.000 0.413 285 T N -0.385 114.201 114.554 0.053 0.000 2.857 285 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 285 T C 1.942 176.658 174.700 0.026 0.000 1.048 285 T CA 0.794 62.912 62.100 0.029 0.000 1.139 285 T CB -0.659 68.216 68.868 0.011 0.000 0.874 285 T HN 0.220 nan 8.240 nan 0.000 0.455 286 L N 0.821 122.063 121.223 0.031 0.000 2.083 286 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 286 L C 2.595 179.483 176.870 0.031 0.000 1.083 286 L CA 1.274 56.132 54.840 0.030 0.000 0.752 286 L CB -0.274 41.807 42.059 0.036 0.000 0.899 286 L HN 0.310 nan 8.230 nan 0.000 0.433 287 S N -1.525 114.199 115.700 0.040 0.000 2.556 287 S HA 0.039 4.509 4.470 -0.000 0.000 0.216 287 S C 0.306 174.912 174.600 0.010 0.000 0.970 287 S CA -0.222 57.995 58.200 0.029 0.000 0.912 287 S CB 0.188 63.413 63.200 0.041 0.000 0.790 287 S HN 0.335 nan 8.310 nan 0.000 0.504 288 E N 1.333 121.541 120.200 0.012 0.000 2.440 288 E HA -0.208 4.142 4.350 -0.000 0.000 0.246 288 E C 0.083 176.668 176.600 -0.025 0.000 1.165 288 E CA 0.451 56.852 56.400 0.000 0.000 0.726 288 E CB -1.756 27.943 29.700 -0.002 0.000 1.271 288 E HN 0.716 nan 8.360 nan 0.000 0.397 289 I N -2.538 118.007 120.570 -0.041 0.000 3.021 289 I HA 0.292 4.462 4.170 -0.000 0.000 0.303 289 I C 0.353 176.380 176.117 -0.150 0.000 1.044 289 I CA -0.530 60.692 61.300 -0.130 0.000 1.266 289 I CB 0.647 38.515 38.000 -0.220 0.000 1.447 289 I HN -0.068 nan 8.210 nan 0.000 0.593 290 Q N 2.135 121.788 119.800 -0.245 0.000 2.347 290 Q HA 0.521 4.861 4.340 -0.000 0.000 0.271 290 Q C -1.835 173.965 176.000 -0.334 0.000 1.064 290 Q CA -0.493 55.210 55.803 -0.166 0.000 0.800 290 Q CB 2.889 31.584 28.738 -0.072 0.000 1.304 290 Q HN 0.534 nan 8.270 nan 0.000 0.438 291 F N 1.644 121.586 119.950 -0.013 0.000 2.426 291 F HA 0.532 5.059 4.527 -0.001 0.000 0.348 291 F C -0.053 175.756 175.800 0.014 0.000 1.124 291 F CA -0.867 57.134 58.000 0.003 0.000 1.008 291 F CB 1.710 40.666 39.000 -0.073 0.000 1.139 291 F HN 0.260 nan 8.300 nan 0.000 0.452 292 V N 0.817 120.838 119.914 0.178 0.000 2.760 292 V HA 1.003 5.123 4.120 -0.000 0.000 0.309 292 V C -0.348 175.810 176.094 0.107 0.000 1.077 292 V CA -0.671 61.696 62.300 0.110 0.000 0.910 292 V CB 1.261 33.120 31.823 0.060 0.000 1.008 292 V HN 0.825 nan 8.190 nan 0.000 0.424 293 G N 1.623 110.474 108.800 0.086 0.000 2.434 293 G HA2 0.680 4.640 3.960 -0.000 0.000 0.330 293 G HA3 0.680 4.640 3.960 -0.000 0.000 0.330 293 G C -0.706 174.239 174.900 0.074 0.000 1.155 293 G CA -0.370 44.780 45.100 0.083 0.000 0.917 293 G HN 1.352 nan 8.290 nan 0.000 0.493 294 S N -0.749 114.995 115.700 0.074 0.000 2.533 294 S HA 0.666 5.136 4.470 -0.000 0.000 0.271 294 S C -1.806 172.815 174.600 0.036 0.000 1.143 294 S CA -0.512 57.723 58.200 0.059 0.000 0.891 294 S CB 1.568 64.791 63.200 0.039 0.000 1.105 294 S HN 0.810 nan 8.310 nan 0.000 0.468 295 L N 5.447 126.679 121.223 0.015 0.000 2.472 295 L HA 0.725 5.065 4.340 -0.000 0.000 0.260 295 L C 0.396 177.154 176.870 -0.186 0.000 0.963 295 L CA 0.325 55.121 54.840 -0.075 0.000 0.829 295 L CB 1.555 43.586 42.059 -0.046 0.000 1.348 295 L HN 1.231 nan 8.230 nan 0.000 0.408 296 V N 1.512 121.192 119.914 -0.390 0.000 0.691 296 V HA 0.073 4.193 4.120 -0.000 0.000 0.092 296 V C 0.221 176.015 176.094 -0.499 0.000 0.768 296 V CA 0.639 62.537 62.300 -0.670 0.000 3.097 296 V CB -2.058 28.775 31.823 -1.651 0.000 0.181 296 V HN 2.184 nan 8.190 nan 0.000 0.063 297 G N -0.549 107.836 108.800 -0.692 0.000 2.441 297 G HA2 0.709 4.668 3.960 -0.000 0.000 0.294 297 G HA3 0.709 4.668 3.960 -0.000 0.000 0.294 297 G C -1.149 173.355 174.900 -0.661 0.000 1.393 297 G CA -0.176 44.496 45.100 -0.714 0.000 0.796 297 G HN 2.091 nan 8.290 nan 0.000 0.494 298 N N -1.043 117.423 118.700 -0.390 0.000 2.643 298 N HA 0.287 5.027 4.740 -0.000 0.000 0.305 298 N C 1.033 176.609 175.510 0.111 0.000 1.283 298 N CA -0.595 52.448 53.050 -0.012 0.000 0.946 298 N CB 0.561 39.136 38.487 0.146 0.000 1.149 298 N HN 0.355 nan 8.380 nan 0.000 0.600 299 Q N -0.555 119.350 119.800 0.174 0.000 2.124 299 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 299 Q C 1.622 177.726 176.000 0.174 0.000 0.977 299 Q CA 1.433 57.361 55.803 0.209 0.000 0.850 299 Q CB -0.475 28.367 28.738 0.173 0.000 0.901 299 Q HN 0.755 nan 8.270 nan 0.000 0.429 300 S N 0.698 116.467 115.700 0.116 0.000 2.383 300 S HA -0.130 4.340 4.470 -0.000 0.000 0.227 300 S C 1.317 175.920 174.600 0.006 0.000 1.026 300 S CA 1.105 59.351 58.200 0.076 0.000 0.981 300 S CB 0.031 63.285 63.200 0.090 0.000 0.818 300 S HN 0.259 nan 8.310 nan 0.000 0.472 301 D N 0.427 120.837 120.400 0.017 0.000 2.117 301 D HA -0.070 4.570 4.640 -0.000 0.000 0.197 301 D C 1.550 177.678 176.300 -0.288 0.000 0.987 301 D CA 0.863 54.788 54.000 -0.125 0.000 0.829 301 D CB -0.494 40.331 40.800 0.041 0.000 0.961 301 D HN 0.459 nan 8.370 nan 0.000 0.460 302 F N 1.354 121.189 119.950 -0.192 0.000 2.102 302 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 302 F C 2.135 177.780 175.800 -0.258 0.000 1.105 302 F CA 0.667 58.567 58.000 -0.167 0.000 1.239 302 F CB -0.519 38.474 39.000 -0.011 0.000 0.991 302 F HN -0.138 nan 8.300 nan 0.000 0.474 303 L N 0.536 121.643 121.223 -0.195 0.000 2.012 303 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 303 L C 2.694 179.313 176.870 -0.419 0.000 1.073 303 L CA 2.215 56.901 54.840 -0.258 0.000 0.748 303 L CB -1.620 40.431 42.059 -0.013 0.000 0.891 303 L HN 0.260 nan 8.230 nan 0.000 0.431 304 G N -0.794 107.719 108.800 -0.478 0.000 2.459 304 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.217 304 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.217 304 G C 1.610 176.119 174.900 -0.652 0.000 1.183 304 G CA 1.030 45.772 45.100 -0.597 0.000 0.776 304 G HN 0.395 nan 8.290 nan 0.000 0.552 305 I N 0.353 120.401 120.570 -0.871 0.000 2.315 305 I HA -0.014 4.156 4.170 -0.000 0.000 0.248 305 I C 2.456 178.325 176.117 -0.414 0.000 1.117 305 I CA 0.916 61.952 61.300 -0.440 0.000 1.404 305 I CB -0.127 37.708 38.000 -0.274 0.000 1.071 305 I HN 0.036 nan 8.210 nan 0.000 0.419 306 M N -0.122 119.067 119.600 -0.685 0.000 2.132 306 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 306 M C 2.420 178.351 176.300 -0.616 0.000 1.065 306 M CA 1.533 56.316 55.300 -0.862 0.000 1.122 306 M CB -1.338 30.200 32.600 -1.769 0.000 1.365 306 M HN 0.217 nan 8.290 nan 0.000 0.411 307 R N -0.083 120.124 120.500 -0.488 0.000 2.081 307 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 307 R C 2.283 178.517 176.300 -0.110 0.000 1.131 307 R CA 1.068 57.055 56.100 -0.188 0.000 0.960 307 R CB -0.410 29.834 30.300 -0.094 0.000 0.856 307 R HN 0.329 nan 8.270 nan 0.000 0.436 308 L N -0.195 120.962 121.223 -0.111 0.000 2.056 308 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 308 L C 2.628 179.468 176.870 -0.050 0.000 1.078 308 L CA 1.246 56.062 54.840 -0.041 0.000 0.749 308 L CB -0.505 41.561 42.059 0.012 0.000 0.901 308 L HN 0.250 nan 8.230 nan 0.000 0.433 309 A N -0.658 122.108 122.820 -0.090 0.000 1.897 309 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 309 A C 2.198 179.753 177.584 -0.049 0.000 1.181 309 A CA 1.108 53.104 52.037 -0.068 0.000 0.620 309 A CB -0.303 18.643 19.000 -0.090 0.000 0.821 309 A HN 0.301 nan 8.150 nan 0.000 0.443 310 E N -0.063 120.100 120.200 -0.061 0.000 2.204 310 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 310 E C 1.942 178.544 176.600 0.004 0.000 0.990 310 E CA 1.072 57.467 56.400 -0.008 0.000 0.821 310 E CB -0.276 29.448 29.700 0.040 0.000 0.750 310 E HN 0.563 nan 8.360 nan 0.000 0.477 311 A N -0.128 122.688 122.820 -0.006 0.000 2.238 311 A HA 0.266 4.586 4.320 -0.000 0.000 0.208 311 A C 1.697 179.280 177.584 -0.001 0.000 1.177 311 A CA 0.961 52.999 52.037 0.002 0.000 0.804 311 A CB -0.223 18.778 19.000 0.002 0.000 0.823 311 A HN 0.268 nan 8.150 nan 0.000 0.482 312 G N -0.132 108.664 108.800 -0.006 0.000 2.168 312 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.263 312 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.263 312 G C 0.956 175.853 174.900 -0.005 0.000 0.977 312 G CA 0.914 46.011 45.100 -0.005 0.000 0.659 312 G HN 0.558 nan 8.290 nan 0.000 0.533 313 K N -0.452 119.945 120.400 -0.005 0.000 2.365 313 K HA 0.263 4.583 4.320 -0.000 0.000 0.199 313 K C 1.137 177.736 176.600 -0.001 0.000 1.045 313 K CA 1.306 57.592 56.287 -0.002 0.000 0.962 313 K CB 0.201 32.703 32.500 0.003 0.000 0.759 313 K HN 0.901 nan 8.250 nan 0.000 0.469 314 V N -1.750 118.162 119.914 -0.003 0.000 3.007 314 V HA 0.434 4.553 4.120 -0.000 0.000 0.311 314 V C -1.187 174.904 176.094 -0.005 0.000 1.120 314 V CA -1.382 60.918 62.300 -0.001 0.000 0.980 314 V CB 2.060 33.888 31.823 0.007 0.000 1.033 314 V HN -0.102 nan 8.190 nan 0.000 0.429 315 K N 2.743 123.141 120.400 -0.004 0.000 2.118 315 K HA 0.666 4.986 4.320 -0.000 0.000 0.254 315 K C -2.690 173.908 176.600 -0.002 0.000 0.961 315 K CA -1.746 54.539 56.287 -0.004 0.000 0.876 315 K CB 1.257 33.755 32.500 -0.004 0.000 1.077 315 K HN 0.562 nan 8.250 nan 0.000 0.440 316 P HA -0.024 nan 4.420 nan 0.000 0.268 316 P C -0.528 176.773 177.300 0.002 0.000 1.208 316 P CA 0.236 63.336 63.100 0.001 0.000 0.777 316 P CB 0.460 32.160 31.700 0.000 0.000 0.875 317 M N 1.578 121.181 119.600 0.005 0.000 2.240 317 M HA 0.134 4.614 4.480 -0.000 0.000 0.333 317 M C 0.616 176.917 176.300 0.001 0.000 1.110 317 M CA -0.004 55.299 55.300 0.005 0.000 1.173 317 M CB 0.001 32.607 32.600 0.009 0.000 1.458 317 M HN 0.217 nan 8.290 nan 0.000 0.458 318 I N 1.914 122.483 120.570 -0.000 0.000 2.741 318 I HA -0.045 4.124 4.170 -0.000 0.000 0.288 318 I C 0.114 176.229 176.117 -0.004 0.000 1.192 318 I CA 0.769 62.067 61.300 -0.002 0.000 1.426 318 I CB -0.017 37.981 38.000 -0.002 0.000 1.367 318 I HN 0.639 nan 8.210 nan 0.000 0.563 319 T N 5.796 120.347 114.554 -0.006 0.000 2.893 319 T HA 0.427 4.777 4.350 -0.000 0.000 0.291 319 T C -0.582 174.110 174.700 -0.013 0.000 1.028 319 T CA -0.817 61.277 62.100 -0.009 0.000 0.995 319 T CB 1.974 70.836 68.868 -0.009 0.000 1.051 319 T HN 0.316 nan 8.240 nan 0.000 0.470 320 K N 2.574 122.963 120.400 -0.018 0.000 2.502 320 K HA 0.491 4.810 4.320 -0.000 0.000 0.254 320 K C -0.259 176.323 176.600 -0.030 0.000 0.947 320 K CA -0.557 55.717 56.287 -0.022 0.000 0.834 320 K CB 0.609 33.096 32.500 -0.022 0.000 1.112 320 K HN 0.735 nan 8.250 nan 0.000 0.427 321 T N 2.022 116.557 114.554 -0.030 0.000 2.889 321 T HA 0.682 5.032 4.350 -0.000 0.000 0.291 321 T C 0.338 175.011 174.700 -0.045 0.000 0.995 321 T CA -0.650 61.427 62.100 -0.039 0.000 1.092 321 T CB 0.552 69.400 68.868 -0.033 0.000 0.954 321 T HN 0.556 nan 8.240 nan 0.000 0.506 322 M N 1.255 120.818 119.600 -0.060 0.000 2.622 322 M HA 0.480 4.960 4.480 -0.000 0.000 0.276 322 M C -0.663 175.589 176.300 -0.080 0.000 1.265 322 M CA -1.313 53.946 55.300 -0.067 0.000 0.850 322 M CB 2.311 34.864 32.600 -0.078 0.000 1.720 322 M HN 0.367 nan 8.290 nan 0.000 0.465 323 K N 0.918 121.273 120.400 -0.076 0.000 2.098 323 K HA 0.291 4.611 4.320 -0.000 0.000 0.257 323 K C 0.644 177.179 176.600 -0.108 0.000 0.999 323 K CA -0.514 55.726 56.287 -0.079 0.000 0.924 323 K CB 1.085 33.550 32.500 -0.058 0.000 1.028 323 K HN 0.589 nan 8.250 nan 0.000 0.466 324 L N 2.216 123.374 121.223 -0.108 0.000 2.013 324 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 324 L C 1.529 178.329 176.870 -0.118 0.000 1.073 324 L CA 2.035 56.795 54.840 -0.134 0.000 0.753 324 L CB -0.530 41.477 42.059 -0.088 0.000 0.890 324 L HN 0.601 nan 8.230 nan 0.000 0.432 325 E N 0.153 120.309 120.200 -0.074 0.000 2.219 325 E HA -0.221 4.129 4.350 -0.000 0.000 0.198 325 E C 1.871 178.434 176.600 -0.062 0.000 0.998 325 E CA 1.466 57.834 56.400 -0.053 0.000 0.818 325 E CB -0.318 29.360 29.700 -0.036 0.000 0.741 325 E HN 0.647 nan 8.360 nan 0.000 0.477 326 E N -0.157 119.994 120.200 -0.082 0.000 2.463 326 E HA 0.130 4.480 4.350 -0.000 0.000 0.191 326 E C 1.568 178.103 176.600 -0.109 0.000 1.083 326 E CA 0.245 56.597 56.400 -0.080 0.000 0.872 326 E CB 0.140 29.794 29.700 -0.076 0.000 0.966 326 E HN 0.262 nan 8.360 nan 0.000 0.491 327 A N 2.126 124.856 122.820 -0.150 0.000 1.859 327 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 327 A C 1.972 179.506 177.584 -0.084 0.000 1.198 327 A CA 1.532 53.444 52.037 -0.209 0.000 0.629 327 A CB -0.411 18.429 19.000 -0.266 0.000 0.830 327 A HN 0.217 nan 8.150 nan 0.000 0.446 328 N N -0.556 118.125 118.700 -0.032 0.000 2.104 328 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 328 N C 1.813 177.312 175.510 -0.017 0.000 1.024 328 N CA 1.576 54.624 53.050 -0.003 0.000 0.853 328 N CB -0.354 38.137 38.487 0.006 0.000 1.008 328 N HN 0.763 nan 8.380 nan 0.000 0.424 329 E N 0.801 120.983 120.200 -0.030 0.000 2.038 329 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 329 E C 1.917 178.495 176.600 -0.036 0.000 1.000 329 E CA 1.243 57.626 56.400 -0.029 0.000 0.803 329 E CB -0.054 29.626 29.700 -0.033 0.000 0.750 329 E HN 0.308 nan 8.360 nan 0.000 0.448 330 A N 1.127 123.914 122.820 -0.054 0.000 1.892 330 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 330 A C 2.192 179.748 177.584 -0.047 0.000 1.188 330 A CA 1.813 53.814 52.037 -0.059 0.000 0.631 330 A CB -0.803 18.142 19.000 -0.092 0.000 0.822 330 A HN 0.374 nan 8.150 nan 0.000 0.447 331 I N -0.272 120.277 120.570 -0.035 0.000 2.315 331 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 331 I C 1.753 177.838 176.117 -0.053 0.000 1.117 331 I CA 1.326 62.604 61.300 -0.037 0.000 1.404 331 I CB -0.541 37.459 38.000 0.000 0.000 1.071 331 I HN 0.255 nan 8.210 nan 0.000 0.419 332 D N 1.061 121.443 120.400 -0.031 0.000 2.117 332 D HA -0.160 4.479 4.640 -0.000 0.000 0.197 332 D C 1.864 178.152 176.300 -0.020 0.000 0.987 332 D CA 1.092 55.081 54.000 -0.019 0.000 0.829 332 D CB -0.502 40.295 40.800 -0.005 0.000 0.961 332 D HN 0.348 nan 8.370 nan 0.000 0.460 333 N N 0.557 119.241 118.700 -0.027 0.000 2.223 333 N HA -0.095 4.645 4.740 -0.000 0.000 0.185 333 N C 2.059 177.538 175.510 -0.052 0.000 1.016 333 N CA 0.406 53.443 53.050 -0.022 0.000 0.863 333 N CB -0.204 38.268 38.487 -0.025 0.000 0.983 333 N HN 0.291 nan 8.380 nan 0.000 0.429 334 L N 1.186 122.350 121.223 -0.099 0.000 2.217 334 L HA -0.051 4.289 4.340 -0.000 0.000 0.211 334 L C 2.174 178.898 176.870 -0.243 0.000 1.107 334 L CA 0.825 55.548 54.840 -0.193 0.000 0.783 334 L CB -0.203 41.745 42.059 -0.184 0.000 0.919 334 L HN 0.143 nan 8.230 nan 0.000 0.442 335 E N 0.333 120.468 120.200 -0.109 0.000 2.072 335 E HA -0.112 4.237 4.350 -0.000 0.000 0.190 335 E C 0.942 177.651 176.600 0.182 0.000 0.982 335 E CA 0.815 57.217 56.400 0.002 0.000 0.803 335 E CB 0.026 29.731 29.700 0.009 0.000 0.755 335 E HN 0.525 nan 8.360 nan 0.000 0.453 336 N N 0.652 119.437 118.700 0.142 0.000 2.322 336 N HA 0.008 4.748 4.740 -0.000 0.000 0.216 336 N C -0.495 175.202 175.510 0.311 0.000 1.144 336 N CA 0.070 53.245 53.050 0.208 0.000 0.830 336 N CB 0.006 38.559 38.487 0.110 0.000 1.034 336 N HN 0.032 nan 8.380 nan 0.000 0.484 337 F N 0.725 120.694 119.950 0.033 0.000 2.861 337 F HA -0.277 4.250 4.527 -0.000 0.000 0.230 337 F C 0.799 176.608 175.800 0.014 0.000 1.020 337 F CA 0.650 58.665 58.000 0.026 0.000 0.852 337 F CB -1.682 37.325 39.000 0.013 0.000 0.724 337 F HN 0.089 nan 8.300 nan 0.000 0.843 338 K N -0.295 120.166 120.400 0.103 0.000 2.537 338 K HA 0.588 4.908 4.320 -0.000 0.000 0.206 338 K C 0.584 177.198 176.600 0.022 0.000 1.041 338 K CA 0.434 56.760 56.287 0.064 0.000 1.090 338 K CB 0.814 33.346 32.500 0.052 0.000 0.833 338 K HN 0.234 nan 8.250 nan 0.000 0.493 339 A N 1.430 124.251 122.820 0.001 0.000 2.511 339 A HA 0.518 4.838 4.320 -0.000 0.000 0.340 339 A C 0.142 177.721 177.584 -0.008 0.000 1.396 339 A CA -0.498 51.528 52.037 -0.018 0.000 0.887 339 A CB -0.386 18.584 19.000 -0.050 0.000 1.145 339 A HN 0.283 nan 8.150 nan 0.000 0.497 340 I N 1.612 122.184 120.570 0.002 0.000 2.311 340 I HA 0.628 4.798 4.170 -0.000 0.000 0.297 340 I C 0.890 177.005 176.117 -0.003 0.000 1.131 340 I CA 0.504 61.808 61.300 0.006 0.000 1.289 340 I CB -0.690 nan 38.000 nan 0.000 1.446 340 I HN 1.950 nan 8.210 nan 0.000 0.524 341 G N 3.452 112.249 108.800 -0.005 0.000 2.617 341 G HA2 0.293 4.253 3.960 -0.000 0.000 0.686 341 G HA3 0.293 4.253 3.960 -0.000 0.000 0.686 341 G C -0.339 174.554 174.900 -0.012 0.000 1.214 341 G CA -0.526 44.570 45.100 -0.007 0.000 0.796 341 G HN 1.912 nan 8.290 nan 0.000 0.654 342 R N 0.921 121.416 120.500 -0.008 0.000 2.449 342 R HA 0.421 4.761 4.340 -0.000 0.000 0.296 342 R C 0.690 176.980 176.300 -0.017 0.000 1.047 342 R CA 0.370 56.465 56.100 -0.008 0.000 1.018 342 R CB 0.112 30.413 30.300 0.001 0.000 0.962 342 R HN 0.590 nan 8.270 nan 0.000 0.428 343 Q N 2.710 122.496 119.800 -0.024 0.000 2.267 343 Q HA 0.423 4.763 4.340 -0.000 0.000 0.255 343 Q C -0.870 175.103 176.000 -0.044 0.000 0.923 343 Q CA -0.763 55.018 55.803 -0.038 0.000 0.925 343 Q CB 1.998 30.707 28.738 -0.048 0.000 1.195 343 Q HN 0.329 nan 8.270 nan 0.000 0.417 344 V N 4.102 123.986 119.914 -0.051 0.000 2.531 344 V HA 0.331 4.451 4.120 -0.000 0.000 0.301 344 V C -0.343 175.704 176.094 -0.078 0.000 1.034 344 V CA -0.787 61.480 62.300 -0.055 0.000 0.865 344 V CB 1.484 33.286 31.823 -0.035 0.000 0.995 344 V HN 0.668 nan 8.190 nan 0.000 0.424 345 L N 6.286 127.442 121.223 -0.111 0.000 2.331 345 L HA 0.594 4.934 4.340 -0.000 0.000 0.278 345 L C -0.101 176.715 176.870 -0.091 0.000 1.106 345 L CA -0.102 54.659 54.840 -0.133 0.000 0.824 345 L CB 0.724 42.650 42.059 -0.221 0.000 1.142 345 L HN 0.647 nan 8.230 nan 0.000 0.443 346 I N 0.548 121.070 120.570 -0.080 0.000 2.785 346 I HA 0.662 4.832 4.170 -0.000 0.000 0.302 346 I C -2.478 173.600 176.117 -0.066 0.000 1.069 346 I CA -2.594 58.668 61.300 -0.064 0.000 1.045 346 I CB 1.605 39.576 38.000 -0.049 0.000 1.236 346 I HN 0.300 nan 8.210 nan 0.000 0.429 347 P HA 0.000 nan 4.420 nan 0.000 0.216 347 P CA 0.000 63.061 63.100 -0.065 0.000 0.800 347 P CB 0.000 31.659 31.700 -0.068 0.000 0.726