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 2d5h_1_C DATA FIRST_RESID 6 DATA SEQUENCE FNEcQLNNLN ALEPDHRVES EGGLIETWNS QHPELQcAGV TVSKRTLNRN DATA SEQUENCE GLHLPSYSPY PQMIIVVQGK GAIGFAFPGc PETFXXXXXX XXXXXXXXXX DATA SEQUENCE XXXDSHQKIR HFNEGDVLVI PPGVPYWTYN TGDEPVVAIS LLDTSNFNNQ DATA SEQUENCE LDQNPRVFYL AGNPDIEHPE TMQXXXXXXX XXXXXXXXXX XXXXEGGSVL DATA SEQUENCE SGFSKHFLAQ SFNTNEDTAE KLRSPDDERK QIVTVEGGLS VIXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX IcTMKLHENI ARPSRADFYN PKAGRISTLN DATA SEQUENCE SLTLPALRQF GLSAQYVVLY RNGIYSPHWN LNANSVIYVT RGKGRVRVVN DATA SEQUENCE XQGNAVFDGE LRRGQLLVVP QNFVVAEQGG EQGLEYVVFK THHNAVSSYI DATA SEQUENCE KDVFRAIPSE VLSNSYNLGQ SQVRQLKYQG NSGPLVNP 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 6 F HA 0.000 nan 4.527 nan 0.000 0.279 6 F C 0.000 175.805 175.800 0.008 0.000 0.967 6 F CA 0.000 58.004 58.000 0.007 0.000 1.383 6 F CB 0.000 39.006 39.000 0.009 0.000 1.145 7 N N 0.948 119.778 118.700 0.217 0.000 2.194 7 N HA 0.036 4.776 4.740 -0.000 0.000 0.231 7 N C 0.855 176.396 175.510 0.052 0.000 1.247 7 N CA 0.404 53.522 53.050 0.114 0.000 0.884 7 N CB 0.660 39.213 38.487 0.111 0.000 1.146 7 N HN 0.406 nan 8.380 nan 0.000 0.516 8 E N 0.135 120.342 120.200 0.011 0.000 2.355 8 E HA -0.267 4.083 4.350 -0.000 0.000 0.209 8 E C 0.619 177.199 176.600 -0.032 0.000 1.050 8 E CA 1.389 57.764 56.400 -0.042 0.000 0.843 8 E CB -0.334 29.315 29.700 -0.084 0.000 0.742 8 E HN 0.338 nan 8.360 nan 0.000 0.489 9 c N 0.080 118.670 118.600 -0.016 0.000 3.243 9 c HA 0.215 4.785 4.570 -0.000 0.000 0.286 9 c C 1.241 175.348 174.090 0.027 0.000 1.373 9 c CA -0.518 55.788 56.329 -0.039 0.000 1.749 9 c CB -0.192 42.268 42.510 -0.084 0.000 2.313 9 c HN 0.341 nan 8.230 nan 0.000 0.644 10 Q N 1.359 121.190 119.800 0.052 0.000 2.283 10 Q HA 0.228 4.568 4.340 -0.000 0.000 0.223 10 Q C 0.027 176.081 176.000 0.089 0.000 0.918 10 Q CA 0.324 56.176 55.803 0.082 0.000 0.952 10 Q CB -0.785 27.993 28.738 0.067 0.000 1.030 10 Q HN 0.622 nan 8.270 nan 0.000 0.452 11 L N 0.939 122.220 121.223 0.097 0.000 2.367 11 L HA 0.213 4.553 4.340 -0.000 0.000 0.275 11 L C 0.564 177.524 176.870 0.149 0.000 1.129 11 L CA -0.204 54.696 54.840 0.100 0.000 0.839 11 L CB 0.632 42.733 42.059 0.070 0.000 1.133 11 L HN 0.200 nan 8.230 nan 0.000 0.453 12 N N 3.652 122.416 118.700 0.106 0.000 2.389 12 N HA 0.124 4.864 4.740 -0.000 0.000 0.260 12 N C -0.690 174.873 175.510 0.088 0.000 1.191 12 N CA 0.030 53.135 53.050 0.090 0.000 0.885 12 N CB 0.208 38.727 38.487 0.054 0.000 1.162 12 N HN 0.612 nan 8.380 nan 0.000 0.512 13 N N 0.693 119.463 118.700 0.117 0.000 4.937 13 N HA 0.044 4.784 4.740 -0.000 0.000 0.165 13 N C -2.080 173.510 175.510 0.134 0.000 1.017 13 N CA -0.286 52.836 53.050 0.120 0.000 1.167 13 N CB 0.587 39.124 38.487 0.083 0.000 1.558 13 N HN -0.166 nan 8.380 nan 0.000 0.908 14 L N 2.291 123.630 121.223 0.193 0.000 2.322 14 L HA 0.616 4.956 4.340 -0.000 0.000 0.269 14 L C 0.439 177.447 176.870 0.229 0.000 1.012 14 L CA -0.495 54.426 54.840 0.136 0.000 0.815 14 L CB 1.362 43.442 42.059 0.035 0.000 1.295 14 L HN 0.538 nan 8.230 nan 0.000 0.438 15 N N -0.265 118.471 118.700 0.059 0.000 2.265 15 N HA 0.687 5.427 4.740 -0.000 0.000 0.300 15 N C -0.983 174.496 175.510 -0.052 0.000 1.148 15 N CA -0.838 52.271 53.050 0.098 0.000 0.772 15 N CB 1.866 40.362 38.487 0.015 0.000 1.434 15 N HN 0.653 nan 8.380 nan 0.000 0.481 16 A N 2.134 124.998 122.820 0.073 0.000 3.215 16 A HA 0.277 4.597 4.320 -0.000 0.000 0.269 16 A C 0.360 177.955 177.584 0.017 0.000 1.517 16 A CA -0.457 51.566 52.037 -0.024 0.000 1.221 16 A CB -0.894 18.176 19.000 0.118 0.000 1.160 16 A HN 0.559 nan 8.150 nan 0.000 0.620 17 L N 0.344 121.547 121.223 -0.033 0.000 2.558 17 L HA -0.029 4.311 4.340 -0.000 0.000 0.301 17 L C 0.555 177.646 176.870 0.368 0.000 1.267 17 L CA 0.829 55.703 54.840 0.055 0.000 0.854 17 L CB 0.056 42.080 42.059 -0.058 0.000 1.103 17 L HN 0.560 nan 8.230 nan 0.000 0.522 18 E N 2.099 122.564 120.200 0.442 0.000 2.312 18 E HA 0.374 4.724 4.350 -0.000 0.000 0.267 18 E C -2.450 174.185 176.600 0.057 0.000 0.894 18 E CA -2.223 54.450 56.400 0.457 0.000 0.773 18 E CB 1.757 31.563 29.700 0.178 0.000 1.241 18 E HN 0.330 nan 8.360 nan 0.000 0.432 19 P HA -0.097 nan 4.420 nan 0.000 0.261 19 P C -0.600 176.558 177.300 -0.237 0.000 1.165 19 P CA 0.675 63.284 63.100 -0.818 0.000 0.759 19 P CB 0.360 31.558 31.700 -0.838 0.000 0.772 20 D N 0.483 120.833 120.400 -0.084 0.000 2.462 20 D HA 0.139 4.779 4.640 -0.000 0.000 0.221 20 D C -0.139 176.206 176.300 0.076 0.000 1.173 20 D CA 0.525 54.550 54.000 0.043 0.000 0.831 20 D CB -0.203 40.682 40.800 0.141 0.000 1.001 20 D HN 0.438 nan 8.370 nan 0.000 0.499 21 H N 0.062 119.048 119.070 -0.141 0.000 3.094 21 H HA 0.423 4.979 4.556 -0.000 0.000 0.346 21 H C -1.219 174.009 175.328 -0.168 0.000 1.238 21 H CA -0.850 55.117 56.048 -0.136 0.000 1.209 21 H CB 1.261 30.937 29.762 -0.142 0.000 1.911 21 H HN -0.104 nan 8.280 nan 0.000 0.540 22 R N 2.340 122.535 120.500 -0.508 0.000 2.643 22 R HA 0.704 5.044 4.340 -0.000 0.000 0.269 22 R C -2.156 173.921 176.300 -0.370 0.000 1.037 22 R CA -1.078 54.824 56.100 -0.330 0.000 0.894 22 R CB 1.472 31.634 30.300 -0.230 0.000 1.238 22 R HN 0.226 nan 8.270 nan 0.000 0.459 23 V N 2.171 121.956 119.914 -0.215 0.000 2.525 23 V HA 0.247 4.367 4.120 -0.000 0.000 0.299 23 V C -0.249 175.774 176.094 -0.118 0.000 1.034 23 V CA -0.957 61.244 62.300 -0.165 0.000 0.863 23 V CB 1.762 33.520 31.823 -0.109 0.000 0.999 23 V HN 0.709 nan 8.190 nan 0.000 0.423 24 E N 2.216 122.353 120.200 -0.106 0.000 2.398 24 E HA 0.438 4.788 4.350 -0.000 0.000 0.263 24 E C -0.009 176.550 176.600 -0.070 0.000 1.046 24 E CA 0.075 56.428 56.400 -0.079 0.000 0.908 24 E CB 1.513 31.171 29.700 -0.069 0.000 0.963 24 E HN 0.629 nan 8.360 nan 0.000 0.431 25 S N 0.321 115.988 115.700 -0.055 0.000 2.537 25 S HA 0.060 4.530 4.470 -0.000 0.000 0.270 25 S C 0.398 174.980 174.600 -0.029 0.000 1.142 25 S CA -0.683 57.488 58.200 -0.048 0.000 0.870 25 S CB 1.497 64.663 63.200 -0.056 0.000 1.112 25 S HN 0.536 nan 8.310 nan 0.000 0.466 26 E N 2.525 122.712 120.200 -0.023 0.000 2.418 26 E HA 0.022 4.372 4.350 -0.000 0.000 0.197 26 E C 1.113 177.718 176.600 0.008 0.000 1.026 26 E CA 1.363 57.758 56.400 -0.009 0.000 0.862 26 E CB -0.250 29.444 29.700 -0.010 0.000 0.799 26 E HN 0.769 nan 8.360 nan 0.000 0.518 27 G N -0.499 108.308 108.800 0.012 0.000 2.747 27 G HA2 0.343 4.303 3.960 -0.000 0.000 0.202 27 G HA3 0.343 4.303 3.960 -0.000 0.000 0.202 27 G C 0.647 175.567 174.900 0.032 0.000 1.090 27 G CA 0.407 45.530 45.100 0.039 0.000 0.779 27 G HN 0.464 nan 8.290 nan 0.000 0.535 28 G N -0.834 107.969 108.800 0.004 0.000 2.635 28 G HA2 0.501 4.461 3.960 -0.000 0.000 0.194 28 G HA3 0.501 4.461 3.960 -0.000 0.000 0.194 28 G C -2.239 172.644 174.900 -0.028 0.000 1.198 28 G CA -0.193 44.906 45.100 -0.003 0.000 0.972 28 G HN 0.695 nan 8.290 nan 0.000 0.520 29 L N -0.176 121.026 121.223 -0.036 0.000 2.472 29 L HA 0.810 5.150 4.340 -0.000 0.000 0.260 29 L C -1.560 175.273 176.870 -0.062 0.000 0.963 29 L CA -0.689 54.119 54.840 -0.053 0.000 0.829 29 L CB 2.030 44.063 42.059 -0.044 0.000 1.348 29 L HN 0.520 nan 8.230 nan 0.000 0.408 30 I N 3.374 123.897 120.570 -0.078 0.000 2.439 30 I HA 0.401 4.571 4.170 -0.000 0.000 0.285 30 I C -0.824 175.235 176.117 -0.096 0.000 1.021 30 I CA -0.428 60.831 61.300 -0.067 0.000 1.091 30 I CB 1.855 39.825 38.000 -0.049 0.000 1.242 30 I HN 0.591 nan 8.210 nan 0.000 0.439 31 E N 4.667 124.797 120.200 -0.116 0.000 2.158 31 E HA 0.434 4.784 4.350 -0.000 0.000 0.271 31 E C -0.576 175.879 176.600 -0.242 0.000 0.911 31 E CA -0.653 55.621 56.400 -0.210 0.000 0.767 31 E CB 2.178 31.712 29.700 -0.276 0.000 1.120 31 E HN 0.591 nan 8.360 nan 0.000 0.405 32 T N -0.518 113.898 114.554 -0.229 0.000 2.912 32 T HA 0.413 4.763 4.350 -0.000 0.000 0.288 32 T C -0.658 173.955 174.700 -0.146 0.000 1.030 32 T CA -0.852 61.156 62.100 -0.154 0.000 1.020 32 T CB 0.974 69.659 68.868 -0.305 0.000 1.056 32 T HN 0.366 nan 8.240 nan 0.000 0.480 33 W N 2.815 124.161 121.300 0.077 0.000 2.361 33 W HA 0.342 5.002 4.660 -0.000 0.000 0.309 33 W C 0.791 177.391 176.519 0.135 0.000 1.122 33 W CA -0.941 56.479 57.345 0.126 0.000 1.208 33 W CB 0.863 30.401 29.460 0.130 0.000 1.246 33 W HN 0.869 nan 8.180 nan 0.000 0.490 34 N N 1.107 119.997 118.700 0.317 0.000 2.292 34 N HA -0.125 4.615 4.740 -0.000 0.000 0.258 34 N C 1.253 176.831 175.510 0.114 0.000 1.261 34 N CA 0.581 53.686 53.050 0.093 0.000 0.845 34 N CB 0.847 39.200 38.487 -0.222 0.000 1.064 34 N HN 0.359 nan 8.380 nan 0.000 0.471 35 S N 2.389 118.132 115.700 0.072 0.000 2.562 35 S HA -0.034 4.436 4.470 -0.000 0.000 0.221 35 S C 1.006 175.597 174.600 -0.015 0.000 0.975 35 S CA 0.314 58.548 58.200 0.056 0.000 0.918 35 S CB 0.252 63.481 63.200 0.048 0.000 0.772 35 S HN 0.711 nan 8.310 nan 0.000 0.531 36 Q N 0.373 120.116 119.800 -0.095 0.000 2.360 36 Q HA 0.162 4.502 4.340 -0.000 0.000 0.202 36 Q C -0.443 175.505 176.000 -0.087 0.000 0.915 36 Q CA -0.074 55.668 55.803 -0.102 0.000 0.943 36 Q CB 0.142 28.811 28.738 -0.115 0.000 1.064 36 Q HN 0.621 nan 8.270 nan 0.000 0.511 37 H N 1.052 120.139 119.070 0.028 0.000 2.929 37 H HA 0.015 4.571 4.556 0.000 0.000 0.317 37 H C -1.595 173.730 175.328 -0.004 0.000 1.031 37 H CA -1.733 54.329 56.048 0.025 0.000 1.466 37 H CB 0.775 30.564 29.762 0.046 0.000 1.482 37 H HN -0.013 nan 8.280 nan 0.000 0.561 38 P HA -0.218 nan 4.420 nan 0.000 0.218 38 P C 1.108 178.418 177.300 0.016 0.000 1.152 38 P CA 1.476 64.603 63.100 0.045 0.000 0.857 38 P CB 0.520 32.249 31.700 0.049 0.000 0.787 39 E N -0.927 119.289 120.200 0.026 0.000 2.023 39 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 39 E C 1.949 178.521 176.600 -0.047 0.000 1.003 39 E CA 1.073 57.451 56.400 -0.037 0.000 0.809 39 E CB -1.160 28.501 29.700 -0.065 0.000 0.755 39 E HN 0.135 nan 8.360 nan 0.000 0.449 40 L N 0.854 122.078 121.223 0.001 0.000 2.217 40 L HA -0.061 4.279 4.340 -0.000 0.000 0.211 40 L C 2.143 178.997 176.870 -0.027 0.000 1.107 40 L CA 1.295 56.127 54.840 -0.013 0.000 0.783 40 L CB -1.050 41.032 42.059 0.039 0.000 0.919 40 L HN 0.232 nan 8.230 nan 0.000 0.442 41 Q N -0.927 118.862 119.800 -0.019 0.000 2.050 41 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 41 Q C 2.502 178.461 176.000 -0.069 0.000 0.980 41 Q CA 1.901 57.675 55.803 -0.049 0.000 0.840 41 Q CB -0.653 28.057 28.738 -0.047 0.000 0.898 41 Q HN 0.603 nan 8.270 nan 0.000 0.424 42 c N 0.687 119.245 118.600 -0.070 0.000 2.442 42 c HA -0.047 4.523 4.570 -0.000 0.000 0.279 42 c C 2.783 176.818 174.090 -0.091 0.000 1.237 42 c CA 1.335 57.611 56.329 -0.088 0.000 1.722 42 c CB -1.092 41.348 42.510 -0.117 0.000 2.056 42 c HN 0.545 nan 8.230 nan 0.000 0.469 43 A N -0.554 122.209 122.820 -0.095 0.000 2.216 43 A HA 0.335 4.655 4.320 -0.000 0.000 0.214 43 A C 1.833 179.382 177.584 -0.060 0.000 1.160 43 A CA 1.564 53.552 52.037 -0.082 0.000 0.725 43 A CB -1.365 17.583 19.000 -0.086 0.000 0.784 43 A HN 1.942 nan 8.150 nan 0.000 0.472 44 G N -0.956 107.807 108.800 -0.061 0.000 2.314 44 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.292 44 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.292 44 G C 0.220 175.079 174.900 -0.068 0.000 1.059 44 G CA 0.970 46.034 45.100 -0.059 0.000 0.982 44 G HN 1.853 nan 8.290 nan 0.000 0.505 45 V N -4.954 114.920 119.914 -0.067 0.000 3.080 45 V HA 1.039 5.159 4.120 -0.000 0.000 0.311 45 V C -0.023 176.039 176.094 -0.053 0.000 1.389 45 V CA -0.247 62.005 62.300 -0.080 0.000 1.049 45 V CB 1.905 33.695 31.823 -0.056 0.000 1.078 45 V HN 0.920 nan 8.190 nan 0.000 0.468 46 T N -0.082 114.450 114.554 -0.035 0.000 3.709 46 T HA 0.527 4.877 4.350 -0.000 0.000 0.378 46 T C -0.986 173.776 174.700 0.105 0.000 1.352 46 T CA -0.311 61.822 62.100 0.055 0.000 1.144 46 T CB 1.414 70.327 68.868 0.076 0.000 1.289 46 T HN 0.880 nan 8.240 nan 0.000 0.476 47 V N 1.853 121.872 119.914 0.175 0.000 2.966 47 V HA 0.916 5.036 4.120 -0.000 0.000 0.317 47 V C 0.224 176.671 176.094 0.590 0.000 1.070 47 V CA -0.676 61.774 62.300 0.251 0.000 1.008 47 V CB 1.976 33.746 31.823 -0.088 0.000 1.070 47 V HN 0.893 nan 8.190 nan 0.000 0.457 48 S N 1.531 117.543 115.700 0.519 0.000 2.649 48 S HA 0.378 4.848 4.470 -0.000 0.000 0.274 48 S C -0.937 173.849 174.600 0.309 0.000 1.176 48 S CA -0.766 57.678 58.200 0.407 0.000 0.988 48 S CB 0.956 64.341 63.200 0.309 0.000 1.071 48 S HN 0.772 nan 8.310 nan 0.000 0.478 49 K N 4.804 125.306 120.400 0.170 0.000 2.266 49 K HA 0.339 4.659 4.320 -0.000 0.000 0.274 49 K C 0.024 176.644 176.600 0.035 0.000 1.090 49 K CA -0.604 55.742 56.287 0.098 0.000 0.925 49 K CB 0.261 32.768 32.500 0.011 0.000 1.225 49 K HN 0.704 nan 8.250 nan 0.000 0.458 50 R N 2.081 122.623 120.500 0.069 0.000 2.338 50 R HA 0.355 4.695 4.340 -0.000 0.000 0.317 50 R C -1.052 175.278 176.300 0.051 0.000 0.968 50 R CA -0.678 55.449 56.100 0.045 0.000 0.849 50 R CB 1.415 31.758 30.300 0.072 0.000 1.128 50 R HN 0.218 nan 8.270 nan 0.000 0.448 51 T N 3.985 118.555 114.554 0.027 0.000 2.885 51 T HA 0.416 4.766 4.350 -0.000 0.000 0.285 51 T C -0.223 174.500 174.700 0.038 0.000 1.019 51 T CA -0.759 61.367 62.100 0.044 0.000 1.010 51 T CB 1.467 70.355 68.868 0.034 0.000 1.022 51 T HN 0.398 nan 8.240 nan 0.000 0.466 52 L N 3.374 124.634 121.223 0.062 0.000 2.316 52 L HA 0.408 4.748 4.340 -0.000 0.000 0.280 52 L C 0.769 177.665 176.870 0.043 0.000 1.006 52 L CA -0.748 54.128 54.840 0.061 0.000 0.836 52 L CB 0.937 43.054 42.059 0.097 0.000 1.221 52 L HN 0.677 nan 8.230 nan 0.000 0.418 53 N N 2.195 120.914 118.700 0.032 0.000 2.250 53 N HA 0.054 4.794 4.740 -0.000 0.000 0.256 53 N C 0.303 175.826 175.510 0.021 0.000 1.302 53 N CA -0.494 52.570 53.050 0.024 0.000 0.894 53 N CB 0.346 38.845 38.487 0.020 0.000 1.067 53 N HN 0.458 nan 8.380 nan 0.000 0.487 54 R N 1.508 122.018 120.500 0.018 0.000 2.473 54 R HA -0.118 4.222 4.340 -0.000 0.000 0.315 54 R C -0.670 175.647 176.300 0.027 0.000 0.972 54 R CA 0.205 56.313 56.100 0.014 0.000 1.047 54 R CB -0.463 29.848 30.300 0.017 0.000 0.932 54 R HN 0.516 nan 8.270 nan 0.000 0.411 55 N N 2.124 120.823 118.700 -0.001 0.000 2.610 55 N HA -0.144 4.596 4.740 -0.000 0.000 0.271 55 N C -0.649 174.925 175.510 0.107 0.000 1.146 55 N CA 1.336 54.401 53.050 0.025 0.000 0.711 55 N CB -0.774 37.799 38.487 0.144 0.000 0.883 55 N HN 0.821 nan 8.380 nan 0.000 0.548 56 G N 0.045 108.871 108.800 0.044 0.000 2.367 56 G HA2 0.624 4.584 3.960 -0.000 0.000 0.314 56 G HA3 0.624 4.584 3.960 -0.000 0.000 0.314 56 G C -0.347 174.712 174.900 0.264 0.000 1.130 56 G CA -0.514 44.665 45.100 0.132 0.000 0.864 56 G HN 0.299 nan 8.290 nan 0.000 0.486 57 L N 1.817 123.226 121.223 0.311 0.000 2.406 57 L HA 0.396 4.736 4.340 -0.000 0.000 0.270 57 L C -0.347 176.729 176.870 0.342 0.000 0.982 57 L CA -0.796 54.288 54.840 0.407 0.000 0.843 57 L CB 1.356 43.629 42.059 0.356 0.000 1.225 57 L HN 0.731 nan 8.230 nan 0.000 0.412 58 H N 5.418 124.641 119.070 0.254 0.000 2.723 58 H HA 0.387 4.943 4.556 -0.000 0.000 0.294 58 H C -0.479 174.963 175.328 0.189 0.000 1.079 58 H CA -0.870 55.296 56.048 0.197 0.000 1.411 58 H CB 0.710 30.577 29.762 0.175 0.000 1.439 58 H HN 0.632 nan 8.280 nan 0.000 0.474 59 L N 7.544 129.007 121.223 0.399 0.000 2.485 59 L HA 0.082 4.422 4.340 -0.000 0.000 0.275 59 L C -1.894 174.995 176.870 0.031 0.000 1.207 59 L CA -1.854 53.114 54.840 0.213 0.000 0.855 59 L CB 0.099 42.285 42.059 0.211 0.000 1.114 59 L HN 0.597 nan 8.230 nan 0.000 0.485 60 P HA -0.060 nan 4.420 nan 0.000 0.266 60 P C -0.665 176.382 177.300 -0.421 0.000 1.180 60 P CA 0.453 63.436 63.100 -0.195 0.000 0.765 60 P CB 0.582 32.266 31.700 -0.027 0.000 0.806 61 S N 0.988 116.304 115.700 -0.640 0.000 2.645 61 S HA 0.674 5.144 4.470 -0.000 0.000 0.268 61 S C -1.701 172.657 174.600 -0.404 0.000 1.110 61 S CA -0.971 56.757 58.200 -0.787 0.000 0.823 61 S CB 0.676 63.024 63.200 -1.421 0.000 1.091 61 S HN 0.529 nan 8.310 nan 0.000 0.466 62 Y N -1.605 118.635 120.300 -0.099 0.000 2.638 62 Y HA 0.898 5.448 4.550 -0.000 0.000 0.335 62 Y C -0.833 175.054 175.900 -0.021 0.000 1.155 62 Y CA -1.124 56.980 58.100 0.007 0.000 1.046 62 Y CB 1.218 39.643 38.460 -0.059 0.000 1.303 62 Y HN 0.770 nan 8.280 nan 0.000 0.460 63 S N 1.420 117.193 115.700 0.123 0.000 2.549 63 S HA 0.418 4.888 4.470 -0.000 0.000 0.280 63 S C -2.755 171.595 174.600 -0.417 0.000 1.109 63 S CA -1.506 56.552 58.200 -0.237 0.000 0.905 63 S CB 2.294 65.096 63.200 -0.664 0.000 1.081 63 S HN 0.617 nan 8.310 nan 0.000 0.477 64 P HA 0.116 nan 4.420 nan 0.000 0.269 64 P C -1.199 175.995 177.300 -0.177 0.000 1.601 64 P CA 0.263 63.193 63.100 -0.283 0.000 0.831 64 P CB -1.016 30.609 31.700 -0.125 0.000 1.688 65 Y N -3.447 116.850 120.300 -0.005 0.000 2.573 65 Y HA 0.577 5.127 4.550 0.000 0.000 0.328 65 Y C -3.035 172.822 175.900 -0.071 0.000 1.170 65 Y CA -3.241 54.848 58.100 -0.017 0.000 1.078 65 Y CB 0.346 38.806 38.460 -0.001 0.000 1.341 65 Y HN -0.289 nan 8.280 nan 0.000 0.459 66 P HA 0.081 nan 4.420 nan 0.000 0.269 66 P C -1.395 175.871 177.300 -0.057 0.000 1.215 66 P CA 0.144 63.190 63.100 -0.091 0.000 0.780 66 P CB 1.310 32.974 31.700 -0.060 0.000 0.898 67 Q N 1.295 120.963 119.800 -0.220 0.000 2.292 67 Q HA 0.501 4.841 4.340 -0.000 0.000 0.270 67 Q C -0.575 175.264 176.000 -0.268 0.000 1.024 67 Q CA -0.460 55.230 55.803 -0.188 0.000 0.768 67 Q CB 2.402 31.031 28.738 -0.181 0.000 1.250 67 Q HN 0.466 nan 8.270 nan 0.000 0.447 68 M N 4.841 124.275 119.600 -0.276 0.000 2.088 68 M HA 0.494 4.974 4.480 -0.000 0.000 0.346 68 M C -1.623 174.445 176.300 -0.387 0.000 1.111 68 M CA -0.346 54.758 55.300 -0.327 0.000 1.017 68 M CB 0.513 32.883 32.600 -0.385 0.000 1.568 68 M HN 0.600 nan 8.290 nan 0.000 0.445 69 I N 5.760 126.169 120.570 -0.268 0.000 2.530 69 I HA 0.495 4.665 4.170 -0.000 0.000 0.297 69 I C -0.819 175.233 176.117 -0.108 0.000 1.011 69 I CA -0.869 60.314 61.300 -0.195 0.000 1.107 69 I CB 2.156 40.057 38.000 -0.164 0.000 1.285 69 I HN 0.710 nan 8.210 nan 0.000 0.436 70 I N 6.059 126.633 120.570 0.006 0.000 2.418 70 I HA 0.363 4.533 4.170 -0.000 0.000 0.287 70 I C -0.951 175.251 176.117 0.141 0.000 1.008 70 I CA -0.704 60.677 61.300 0.135 0.000 1.104 70 I CB 1.579 39.771 38.000 0.320 0.000 1.264 70 I HN 0.236 nan 8.210 nan 0.000 0.438 71 V N 8.435 128.439 119.914 0.151 0.000 2.322 71 V HA 0.059 4.179 4.120 -0.000 0.000 0.258 71 V C 1.100 177.338 176.094 0.240 0.000 1.074 71 V CA -0.129 62.284 62.300 0.188 0.000 0.909 71 V CB 0.657 32.636 31.823 0.260 0.000 1.090 71 V HN 0.775 nan 8.190 nan 0.000 0.486 72 V N 1.797 121.861 119.914 0.249 0.000 2.302 72 V HA 0.039 4.159 4.120 -0.000 0.000 0.243 72 V C 0.818 177.043 176.094 0.220 0.000 1.036 72 V CA 0.894 63.364 62.300 0.282 0.000 1.020 72 V CB -0.310 31.710 31.823 0.329 0.000 0.657 72 V HN 0.716 nan 8.190 nan 0.000 0.453 73 Q N 0.106 120.023 119.800 0.195 0.000 2.353 73 Q HA 0.554 4.894 4.340 -0.000 0.000 0.268 73 Q C -0.122 175.964 176.000 0.143 0.000 1.045 73 Q CA 0.244 56.137 55.803 0.151 0.000 0.811 73 Q CB 1.741 30.561 28.738 0.136 0.000 1.305 73 Q HN 1.019 nan 8.270 nan 0.000 0.447 74 G N 2.501 111.365 108.800 0.107 0.000 2.746 74 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.685 74 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.685 74 G C -1.373 173.577 174.900 0.084 0.000 1.350 74 G CA -0.204 44.945 45.100 0.082 0.000 0.837 74 G HN 0.781 nan 8.290 nan 0.000 0.564 75 K N -0.275 120.103 120.400 -0.035 0.000 2.480 75 K HA 0.952 5.272 4.320 -0.000 0.000 0.258 75 K C 0.385 176.665 176.600 -0.534 0.000 0.990 75 K CA -0.493 55.641 56.287 -0.254 0.000 0.857 75 K CB 2.128 34.492 32.500 -0.228 0.000 1.384 75 K HN 2.133 nan 8.250 nan 0.000 0.446 76 G N -0.328 107.700 108.800 -1.286 0.000 2.529 76 G HA2 0.613 4.573 3.960 -0.000 0.000 0.238 76 G HA3 0.613 4.573 3.960 -0.000 0.000 0.238 76 G C -1.808 172.568 174.900 -0.874 0.000 1.207 76 G CA -0.425 44.070 45.100 -1.009 0.000 0.928 76 G HN 0.878 nan 8.290 nan 0.000 0.495 77 A N -0.520 122.193 122.820 -0.178 0.000 2.465 77 A HA 0.718 5.038 4.320 -0.000 0.000 0.292 77 A C -1.372 176.281 177.584 0.115 0.000 1.041 77 A CA -0.333 51.786 52.037 0.137 0.000 0.718 77 A CB 1.227 20.448 19.000 0.369 0.000 1.266 77 A HN 1.386 nan 8.150 nan 0.000 0.403 78 I N 1.631 122.127 120.570 -0.124 0.000 2.693 78 I HA 0.849 5.019 4.170 -0.000 0.000 0.303 78 I C 0.227 175.674 176.117 -1.116 0.000 1.025 78 I CA -0.637 60.304 61.300 -0.598 0.000 1.086 78 I CB 2.142 39.869 38.000 -0.456 0.000 1.268 78 I HN 0.776 nan 8.210 nan 0.000 0.440 79 G N 5.649 113.418 108.800 -1.719 0.000 2.617 79 G HA2 0.553 4.513 3.960 -0.000 0.000 0.306 79 G HA3 0.553 4.513 3.960 -0.000 0.000 0.306 79 G C -1.528 172.959 174.900 -0.689 0.000 1.360 79 G CA -0.447 43.852 45.100 -1.335 0.000 0.983 79 G HN 0.498 nan 8.290 nan 0.000 0.496 80 F N 0.848 120.593 119.950 -0.342 0.000 2.432 80 F HA 0.556 5.083 4.527 -0.000 0.000 0.329 80 F C 0.776 176.385 175.800 -0.318 0.000 1.076 80 F CA -1.107 56.609 58.000 -0.473 0.000 1.018 80 F CB 2.649 41.088 39.000 -0.935 0.000 1.201 80 F HN 0.527 nan 8.300 nan 0.000 0.489 81 A N 3.496 126.239 122.820 -0.129 0.000 3.232 81 A HA 0.451 4.771 4.320 -0.000 0.000 0.312 81 A C -0.974 176.592 177.584 -0.030 0.000 1.185 81 A CA -0.411 51.630 52.037 0.008 0.000 1.011 81 A CB -0.802 18.262 19.000 0.106 0.000 1.096 81 A HN 0.509 nan 8.150 nan 0.000 0.543 82 F N 1.943 121.974 119.950 0.135 0.000 2.471 82 F HA 0.358 4.885 4.527 -0.000 0.000 0.353 82 F C -1.359 174.475 175.800 0.058 0.000 1.113 82 F CA -1.987 56.051 58.000 0.064 0.000 1.262 82 F CB 0.325 39.363 39.000 0.064 0.000 1.146 82 F HN 0.316 nan 8.300 nan 0.000 0.578 83 P HA 0.274 nan 4.420 nan 0.000 0.279 83 P C 0.564 177.929 177.300 0.110 0.000 1.239 83 P CA 0.422 63.602 63.100 0.133 0.000 0.789 83 P CB 1.465 33.213 31.700 0.079 0.000 0.933 84 G N 2.614 111.468 108.800 0.089 0.000 4.655 84 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.220 84 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.220 84 G C 0.130 175.080 174.900 0.084 0.000 1.403 84 G CA 0.120 45.261 45.100 0.068 0.000 0.931 84 G HN 0.739 nan 8.290 nan 0.000 0.654 85 c N 5.150 123.809 118.600 0.099 0.000 1.912 85 c HA 0.354 4.924 4.570 -0.000 0.000 0.414 85 c C -0.680 173.485 174.090 0.125 0.000 1.545 85 c CA -0.051 56.345 56.329 0.111 0.000 1.468 85 c CB -0.608 41.998 42.510 0.159 0.000 2.697 85 c HN 0.606 nan 8.230 nan 0.000 0.597 86 P HA 0.132 nan 4.420 nan 0.000 0.271 86 P C -0.287 177.092 177.300 0.132 0.000 1.218 86 P CA 0.155 63.318 63.100 0.105 0.000 0.780 86 P CB 0.652 32.402 31.700 0.083 0.000 0.901 87 E N 1.051 121.338 120.200 0.145 0.000 2.614 87 E HA -0.003 4.347 4.350 -0.000 0.000 0.321 87 E C 1.433 178.153 176.600 0.201 0.000 1.354 87 E CA 0.238 56.750 56.400 0.188 0.000 1.469 87 E CB -1.145 28.673 29.700 0.198 0.000 1.197 87 E HN 0.450 nan 8.360 nan 0.000 0.497 88 T N -1.315 113.341 114.554 0.171 0.000 2.849 88 T HA -0.189 4.161 4.350 -0.000 0.000 0.270 88 T C 1.050 175.900 174.700 0.250 0.000 1.066 88 T CA 0.539 62.736 62.100 0.162 0.000 1.130 88 T CB -0.277 68.652 68.868 0.103 0.000 0.864 88 T HN 0.365 nan 8.240 nan 0.000 0.481 110 S N 3.056 118.696 115.700 -0.100 0.000 2.406 110 S HA 0.530 5.000 4.470 -0.000 0.000 0.224 110 S C -0.270 174.413 174.600 0.139 0.000 1.426 110 S CA -0.792 57.434 58.200 0.044 0.000 1.179 110 S CB -0.181 63.047 63.200 0.047 0.000 1.042 110 S HN 0.518 nan 8.310 nan 0.000 0.479 111 H N -0.075 119.023 119.070 0.045 0.000 2.679 111 H HA 0.583 5.139 4.556 -0.000 0.000 0.367 111 H C -0.251 175.199 175.328 0.204 0.000 1.162 111 H CA -1.267 54.840 56.048 0.097 0.000 1.181 111 H CB 1.147 30.938 29.762 0.048 0.000 1.693 111 H HN 0.523 nan 8.280 nan 0.000 0.538 112 Q N 1.693 121.653 119.800 0.268 0.000 2.474 112 Q HA -0.009 4.331 4.340 -0.000 0.000 0.256 112 Q C 0.172 176.270 176.000 0.164 0.000 1.048 112 Q CA -0.776 55.153 55.803 0.211 0.000 0.922 112 Q CB 0.750 29.621 28.738 0.222 0.000 1.288 112 Q HN 0.518 nan 8.270 nan 0.000 0.484 113 K N 4.499 124.966 120.400 0.111 0.000 1.948 113 K HA -0.022 4.298 4.320 -0.000 0.000 0.231 113 K C -0.211 176.332 176.600 -0.096 0.000 1.136 113 K CA 0.093 56.333 56.287 -0.078 0.000 1.185 113 K CB -0.899 31.520 32.500 -0.135 0.000 1.090 113 K HN 0.480 nan 8.250 nan 0.000 0.302 114 I N 2.764 123.380 120.570 0.077 0.000 3.245 114 I HA -0.143 4.027 4.170 -0.000 0.000 0.290 114 I C 1.003 176.946 176.117 -0.289 0.000 1.269 114 I CA 0.787 62.069 61.300 -0.029 0.000 1.383 114 I CB -0.191 37.935 38.000 0.210 0.000 1.337 114 I HN 0.392 nan 8.210 nan 0.000 0.599 115 R N 3.155 123.405 120.500 -0.416 0.000 2.750 115 R HA 0.502 4.842 4.340 -0.000 0.000 0.281 115 R C -0.961 175.078 176.300 -0.435 0.000 0.972 115 R CA -0.796 55.052 56.100 -0.419 0.000 0.912 115 R CB 1.935 32.014 30.300 -0.369 0.000 1.187 115 R HN 0.505 nan 8.270 nan 0.000 0.464 116 H N 2.901 121.894 119.070 -0.128 0.000 2.587 116 H HA 0.233 4.789 4.556 0.000 0.000 0.325 116 H C -0.651 174.578 175.328 -0.164 0.000 1.012 116 H CA -0.679 55.283 56.048 -0.143 0.000 1.213 116 H CB 0.913 30.594 29.762 -0.135 0.000 1.431 116 H HN 0.458 nan 8.280 nan 0.000 0.492 117 F N 1.461 121.380 119.950 -0.051 0.000 2.432 117 F HA 0.543 5.070 4.527 -0.000 0.000 0.329 117 F C -0.142 175.646 175.800 -0.021 0.000 1.076 117 F CA -0.901 57.051 58.000 -0.080 0.000 1.018 117 F CB 0.906 39.873 39.000 -0.054 0.000 1.201 117 F HN 0.194 nan 8.300 nan 0.000 0.489 118 N N 0.131 118.910 118.700 0.132 0.000 2.653 118 N HA 0.207 4.947 4.740 -0.000 0.000 0.294 118 N C -1.361 174.271 175.510 0.203 0.000 1.305 118 N CA -0.808 52.279 53.050 0.062 0.000 0.827 118 N CB 1.434 39.943 38.487 0.037 0.000 1.415 118 N HN 0.817 nan 8.380 nan 0.000 0.546 119 E N -0.918 119.361 120.200 0.133 0.000 2.344 119 E HA 0.391 4.741 4.350 -0.000 0.000 0.270 119 E C 0.456 177.142 176.600 0.143 0.000 1.021 119 E CA -0.357 56.139 56.400 0.159 0.000 0.887 119 E CB 0.301 30.067 29.700 0.110 0.000 0.997 119 E HN 0.764 nan 8.360 nan 0.000 0.429 120 G N 3.127 112.036 108.800 0.181 0.000 2.175 120 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 120 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 120 G C -0.576 174.429 174.900 0.176 0.000 0.982 120 G CA 0.088 45.283 45.100 0.159 0.000 0.641 120 G HN 0.636 nan 8.290 nan 0.000 0.527 121 D N -0.286 120.240 120.400 0.210 0.000 2.225 121 D HA 0.580 5.220 4.640 -0.000 0.000 0.249 121 D C 0.248 176.657 176.300 0.182 0.000 1.052 121 D CA -0.144 53.993 54.000 0.227 0.000 0.909 121 D CB 2.103 43.093 40.800 0.317 0.000 1.186 121 D HN 0.170 nan 8.370 nan 0.000 0.431 122 V N 2.669 122.673 119.914 0.149 0.000 2.555 122 V HA 0.532 4.652 4.120 -0.000 0.000 0.302 122 V C -0.231 175.906 176.094 0.071 0.000 1.038 122 V CA -0.694 61.658 62.300 0.087 0.000 0.887 122 V CB 1.324 33.192 31.823 0.074 0.000 0.991 122 V HN 0.372 nan 8.190 nan 0.000 0.434 123 L N 4.054 125.282 121.223 0.007 0.000 2.393 123 L HA 0.710 5.050 4.340 -0.000 0.000 0.260 123 L C -1.148 175.682 176.870 -0.068 0.000 1.002 123 L CA -0.931 53.916 54.840 0.012 0.000 0.818 123 L CB 2.683 44.741 42.059 -0.003 0.000 1.369 123 L HN 0.348 nan 8.230 nan 0.000 0.412 124 V N 3.538 123.411 119.914 -0.067 0.000 2.305 124 V HA 0.304 4.424 4.120 -0.000 0.000 0.275 124 V C -0.006 175.851 176.094 -0.395 0.000 1.020 124 V CA -0.534 61.623 62.300 -0.239 0.000 0.811 124 V CB 1.335 33.032 31.823 -0.210 0.000 1.031 124 V HN 0.398 nan 8.190 nan 0.000 0.439 125 I N 6.345 126.665 120.570 -0.417 0.000 2.578 125 I HA 0.210 4.380 4.170 -0.000 0.000 0.286 125 I C -2.089 173.658 176.117 -0.617 0.000 1.126 125 I CA -2.374 58.609 61.300 -0.528 0.000 1.380 125 I CB 0.199 37.838 38.000 -0.601 0.000 1.408 125 I HN 0.313 nan 8.210 nan 0.000 0.532 126 P HA 0.089 nan 4.420 nan 0.000 0.267 126 P C -2.298 174.836 177.300 -0.277 0.000 1.200 126 P CA -0.735 62.066 63.100 -0.498 0.000 0.772 126 P CB -0.106 31.510 31.700 -0.139 0.000 0.855 127 P HA -0.002 nan 4.420 nan 0.000 0.271 127 P C 0.667 177.869 177.300 -0.163 0.000 1.218 127 P CA 0.525 63.547 63.100 -0.130 0.000 0.780 127 P CB 0.316 31.985 31.700 -0.052 0.000 0.901 128 G N 1.052 109.711 108.800 -0.235 0.000 2.212 128 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.267 128 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.267 128 G C -0.073 174.580 174.900 -0.412 0.000 1.002 128 G CA 0.145 44.983 45.100 -0.438 0.000 0.729 128 G HN 0.531 nan 8.290 nan 0.000 0.517 129 V N 2.587 122.396 119.914 -0.176 0.000 2.334 129 V HA 0.424 4.544 4.120 -0.000 0.000 0.281 129 V C -1.478 174.664 176.094 0.080 0.000 1.016 129 V CA -1.694 60.545 62.300 -0.101 0.000 0.832 129 V CB 1.870 33.604 31.823 -0.149 0.000 0.999 129 V HN 0.209 nan 8.190 nan 0.000 0.439 130 P HA 0.175 nan 4.420 nan 0.000 0.268 130 P C -1.448 175.980 177.300 0.213 0.000 1.204 130 P CA 0.206 63.486 63.100 0.300 0.000 0.768 130 P CB 0.513 32.406 31.700 0.321 0.000 0.842 131 Y N 1.743 122.042 120.300 -0.002 0.000 2.524 131 Y HA 0.771 5.321 4.550 -0.000 0.000 0.347 131 Y C -1.213 174.696 175.900 0.015 0.000 1.005 131 Y CA -1.686 56.426 58.100 0.020 0.000 1.025 131 Y CB 1.328 39.815 38.460 0.045 0.000 1.275 131 Y HN 0.538 nan 8.280 nan 0.000 0.460 132 W N 1.909 123.166 121.300 -0.071 0.000 2.915 132 W HA 0.759 5.419 4.660 -0.000 0.000 0.337 132 W C -2.003 174.552 176.519 0.060 0.000 1.102 132 W CA -0.972 56.301 57.345 -0.120 0.000 1.224 132 W CB 1.718 31.146 29.460 -0.053 0.000 1.416 132 W HN 0.916 nan 8.180 nan 0.000 0.503 133 T N 0.628 115.373 114.554 0.318 0.000 2.893 133 T HA 0.532 4.882 4.350 -0.000 0.000 0.293 133 T C -1.879 173.169 174.700 0.580 0.000 1.027 133 T CA -0.487 61.788 62.100 0.293 0.000 0.988 133 T CB 2.574 71.600 68.868 0.263 0.000 1.043 133 T HN 0.488 nan 8.240 nan 0.000 0.461 134 Y N 2.592 123.149 120.300 0.427 0.000 2.391 134 Y HA 0.534 5.084 4.550 0.000 0.000 0.341 134 Y C -0.593 175.464 175.900 0.262 0.000 0.965 134 Y CA -1.586 56.744 58.100 0.382 0.000 1.067 134 Y CB 1.773 40.509 38.460 0.460 0.000 1.199 134 Y HN 0.819 nan 8.280 nan 0.000 0.450 135 N N 3.390 121.750 118.700 -0.568 0.000 2.420 135 N HA 0.046 4.786 4.740 -0.000 0.000 0.262 135 N C -0.025 174.932 175.510 -0.923 0.000 1.144 135 N CA 0.566 53.298 53.050 -0.530 0.000 0.952 135 N CB 0.908 39.242 38.487 -0.255 0.000 1.081 135 N HN 0.814 nan 8.380 nan 0.000 0.480 136 T N 0.509 114.751 114.554 -0.519 0.000 3.275 136 T HA 0.469 4.819 4.350 -0.000 0.000 0.265 136 T C 0.511 175.093 174.700 -0.196 0.000 0.978 136 T CA -0.649 61.262 62.100 -0.315 0.000 0.923 136 T CB -0.070 68.710 68.868 -0.146 0.000 1.126 136 T HN 0.356 nan 8.240 nan 0.000 0.538 137 G N -0.493 108.195 108.800 -0.187 0.000 2.798 137 G HA2 0.504 4.464 3.960 -0.000 0.000 0.286 137 G HA3 0.504 4.464 3.960 -0.000 0.000 0.286 137 G C -0.373 174.484 174.900 -0.072 0.000 1.389 137 G CA -0.683 44.349 45.100 -0.113 0.000 0.894 137 G HN 0.086 nan 8.290 nan 0.000 0.488 138 D N -0.285 120.088 120.400 -0.044 0.000 2.144 138 D HA -0.023 4.617 4.640 -0.000 0.000 0.207 138 D C 1.014 177.306 176.300 -0.014 0.000 0.970 138 D CA 0.813 54.799 54.000 -0.023 0.000 0.853 138 D CB 0.122 40.913 40.800 -0.015 0.000 1.007 138 D HN 0.703 nan 8.370 nan 0.000 0.469 139 E N 3.312 123.505 120.200 -0.011 0.000 2.384 139 E HA 0.168 4.518 4.350 -0.000 0.000 0.266 139 E C -2.345 174.261 176.600 0.010 0.000 1.012 139 E CA -1.659 54.743 56.400 0.005 0.000 0.901 139 E CB 0.272 29.979 29.700 0.012 0.000 0.967 139 E HN -0.023 nan 8.360 nan 0.000 0.435 140 P HA -0.040 nan 4.420 nan 0.000 0.265 140 P C -0.172 177.160 177.300 0.054 0.000 1.222 140 P CA -0.140 62.978 63.100 0.031 0.000 0.767 140 P CB 0.681 32.400 31.700 0.031 0.000 0.801 141 V N 5.426 125.380 119.914 0.067 0.000 2.521 141 V HA 0.027 4.147 4.120 -0.000 0.000 0.286 141 V C 0.780 176.948 176.094 0.124 0.000 1.034 141 V CA 0.120 62.490 62.300 0.117 0.000 1.045 141 V CB 1.025 32.953 31.823 0.175 0.000 0.974 141 V HN 0.294 nan 8.190 nan 0.000 0.480 142 V N 4.992 124.988 119.914 0.136 0.000 2.378 142 V HA 0.821 4.941 4.120 -0.000 0.000 0.288 142 V C 0.249 176.432 176.094 0.148 0.000 1.016 142 V CA -0.337 62.042 62.300 0.132 0.000 0.840 142 V CB 1.383 33.288 31.823 0.138 0.000 0.994 142 V HN 1.004 nan 8.190 nan 0.000 0.431 143 A N 5.424 128.316 122.820 0.120 0.000 2.413 143 A HA 0.979 5.299 4.320 -0.000 0.000 0.307 143 A C -1.271 176.358 177.584 0.075 0.000 1.087 143 A CA -0.566 51.531 52.037 0.099 0.000 0.750 143 A CB 1.466 20.498 19.000 0.055 0.000 1.296 143 A HN 0.637 nan 8.150 nan 0.000 0.423 144 I N 0.958 121.561 120.570 0.055 0.000 2.389 144 I HA 0.491 4.661 4.170 -0.000 0.000 0.288 144 I C 0.296 176.465 176.117 0.087 0.000 0.999 144 I CA 0.010 61.330 61.300 0.033 0.000 1.129 144 I CB 1.960 39.829 38.000 -0.218 0.000 1.288 144 I HN 0.455 nan 8.210 nan 0.000 0.444 145 S N 6.568 122.319 115.700 0.085 0.000 2.478 145 S HA 0.540 5.010 4.470 -0.000 0.000 0.312 145 S C -0.898 173.697 174.600 -0.009 0.000 1.094 145 S CA -0.639 57.551 58.200 -0.016 0.000 1.081 145 S CB 0.784 63.989 63.200 0.008 0.000 1.007 145 S HN 0.545 nan 8.310 nan 0.000 0.475 146 L N 6.935 128.029 121.223 -0.214 0.000 2.315 146 L HA 0.434 4.774 4.340 -0.000 0.000 0.283 146 L C -1.056 175.738 176.870 -0.128 0.000 1.089 146 L CA -0.155 54.596 54.840 -0.148 0.000 0.833 146 L CB 0.203 42.046 42.059 -0.360 0.000 1.170 146 L HN 0.727 nan 8.230 nan 0.000 0.442 147 L N 5.569 126.739 121.223 -0.088 0.000 2.328 147 L HA 0.186 4.526 4.340 -0.000 0.000 0.280 147 L C 0.612 177.273 176.870 -0.349 0.000 1.111 147 L CA -0.380 54.333 54.840 -0.211 0.000 0.909 147 L CB 0.322 42.252 42.059 -0.215 0.000 1.277 147 L HN 0.530 nan 8.230 nan 0.000 0.433 148 D N 2.667 122.910 120.400 -0.262 0.000 2.662 148 D HA -0.060 4.580 4.640 -0.000 0.000 0.228 148 D C 1.448 177.567 176.300 -0.303 0.000 1.090 148 D CA 0.060 53.947 54.000 -0.189 0.000 1.118 148 D CB 0.496 41.263 40.800 -0.055 0.000 1.129 148 D HN 0.576 nan 8.370 nan 0.000 0.472 149 T N -2.099 112.177 114.554 -0.464 0.000 3.227 149 T HA -0.083 4.267 4.350 -0.000 0.000 0.257 149 T C 1.283 175.909 174.700 -0.123 0.000 1.162 149 T CA 0.482 62.312 62.100 -0.451 0.000 1.051 149 T CB -0.138 68.479 68.868 -0.419 0.000 0.953 149 T HN 0.177 nan 8.240 nan 0.000 0.535 150 S N -0.601 115.058 115.700 -0.068 0.000 2.819 150 S HA 0.225 4.695 4.470 -0.000 0.000 0.249 150 S C 0.320 174.952 174.600 0.053 0.000 1.030 150 S CA -0.827 57.374 58.200 0.001 0.000 1.052 150 S CB -0.310 62.880 63.200 -0.017 0.000 1.017 150 S HN 0.461 nan 8.310 nan 0.000 0.576 151 N N 1.472 120.215 118.700 0.072 0.000 2.415 151 N HA 0.085 4.825 4.740 -0.000 0.000 0.248 151 N C 0.718 176.358 175.510 0.216 0.000 1.271 151 N CA -0.131 53.001 53.050 0.137 0.000 0.913 151 N CB 0.238 38.812 38.487 0.146 0.000 1.129 151 N HN 0.320 nan 8.380 nan 0.000 0.444 152 F N 3.098 123.073 119.950 0.042 0.000 2.065 152 F HA -0.320 4.207 4.527 0.000 0.000 0.298 152 F C 1.535 177.358 175.800 0.039 0.000 1.112 152 F CA 1.595 59.614 58.000 0.032 0.000 1.212 152 F CB 0.046 39.054 39.000 0.014 0.000 0.975 152 F HN 0.566 nan 8.300 nan 0.000 0.476 153 N N 0.527 119.221 118.700 -0.010 0.000 2.289 153 N HA -0.193 4.547 4.740 -0.000 0.000 0.184 153 N C 0.111 175.599 175.510 -0.037 0.000 1.016 153 N CA 0.685 53.648 53.050 -0.146 0.000 0.872 153 N CB -0.585 37.870 38.487 -0.054 0.000 0.973 153 N HN 0.188 nan 8.380 nan 0.000 0.433 154 N N 1.327 120.071 118.700 0.073 0.000 2.416 154 N HA 0.011 4.751 4.740 -0.000 0.000 0.265 154 N C -0.176 175.380 175.510 0.077 0.000 1.195 154 N CA 0.205 53.318 53.050 0.105 0.000 0.943 154 N CB 0.382 38.994 38.487 0.208 0.000 1.115 154 N HN 0.182 nan 8.380 nan 0.000 0.481 155 Q N 2.915 122.738 119.800 0.038 0.000 2.198 155 Q HA 0.196 4.536 4.340 -0.000 0.000 0.209 155 Q C 0.611 176.641 176.000 0.049 0.000 0.848 155 Q CA -0.009 55.815 55.803 0.035 0.000 0.974 155 Q CB 0.657 29.393 28.738 -0.004 0.000 1.115 155 Q HN 0.632 nan 8.270 nan 0.000 0.494 156 L N 0.330 121.596 121.223 0.070 0.000 2.428 156 L HA 0.163 4.503 4.340 -0.000 0.000 0.190 156 L C 0.369 177.289 176.870 0.085 0.000 1.255 156 L CA 0.532 55.420 54.840 0.080 0.000 0.848 156 L CB 0.175 42.295 42.059 0.102 0.000 1.088 156 L HN 0.226 nan 8.230 nan 0.000 0.500 157 D N -3.501 116.959 120.400 0.101 0.000 2.792 157 D HA 0.012 4.652 4.640 -0.000 0.000 0.335 157 D C 0.083 176.430 176.300 0.079 0.000 1.353 157 D CA -0.576 53.472 54.000 0.080 0.000 0.839 157 D CB 1.083 41.922 40.800 0.065 0.000 1.396 157 D HN -0.095 nan 8.370 nan 0.000 0.479 158 Q N 0.091 119.913 119.800 0.038 0.000 2.020 158 Q HA 0.015 4.355 4.340 -0.000 0.000 0.202 158 Q C -0.349 175.654 176.000 0.006 0.000 0.982 158 Q CA 1.510 57.315 55.803 0.004 0.000 0.838 158 Q CB -0.703 28.017 28.738 -0.029 0.000 0.899 158 Q HN 0.512 nan 8.270 nan 0.000 0.423 159 N N 3.069 121.779 118.700 0.017 0.000 2.315 159 N HA -0.006 4.734 4.740 -0.000 0.000 0.270 159 N C -2.514 173.025 175.510 0.048 0.000 1.329 159 N CA -0.074 52.985 53.050 0.015 0.000 0.860 159 N CB 0.098 38.596 38.487 0.019 0.000 1.095 159 N HN 0.309 nan 8.380 nan 0.000 0.487 160 P HA 0.099 nan 4.420 nan 0.000 0.270 160 P C -0.659 176.665 177.300 0.040 0.000 1.223 160 P CA 0.098 63.229 63.100 0.052 0.000 0.785 160 P CB 0.897 32.404 31.700 -0.321 0.000 0.923 161 R N 0.245 120.826 120.500 0.136 0.000 2.626 161 R HA 0.617 4.957 4.340 -0.000 0.000 0.274 161 R C -1.364 174.925 176.300 -0.018 0.000 1.031 161 R CA -0.990 55.105 56.100 -0.009 0.000 0.898 161 R CB 2.363 32.695 30.300 0.052 0.000 1.222 161 R HN 0.195 nan 8.270 nan 0.000 0.455 162 V N 2.865 122.712 119.914 -0.111 0.000 2.524 162 V HA 0.458 4.578 4.120 -0.000 0.000 0.297 162 V C -1.222 174.751 176.094 -0.202 0.000 1.035 162 V CA -0.802 61.473 62.300 -0.042 0.000 0.867 162 V CB 1.464 33.344 31.823 0.096 0.000 1.004 162 V HN 0.548 nan 8.190 nan 0.000 0.426 163 F N 4.247 124.033 119.950 -0.273 0.000 2.334 163 F HA 0.578 5.105 4.527 -0.000 0.000 0.367 163 F C -0.067 175.380 175.800 -0.588 0.000 1.115 163 F CA -0.860 56.920 58.000 -0.366 0.000 1.116 163 F CB 0.610 39.346 39.000 -0.441 0.000 1.230 163 F HN 0.373 nan 8.300 nan 0.000 0.484 164 Y N 3.026 123.208 120.300 -0.197 0.000 2.304 164 Y HA 0.245 4.795 4.550 -0.000 0.000 0.328 164 Y C 1.202 176.998 175.900 -0.174 0.000 1.123 164 Y CA -0.311 57.673 58.100 -0.194 0.000 1.218 164 Y CB 1.115 39.509 38.460 -0.111 0.000 1.207 164 Y HN 0.527 nan 8.280 nan 0.000 0.495 165 L N 2.168 123.368 121.223 -0.039 0.000 2.341 165 L HA 0.172 4.512 4.340 -0.000 0.000 0.214 165 L C 0.849 177.724 176.870 0.009 0.000 1.115 165 L CA 0.568 55.395 54.840 -0.021 0.000 0.820 165 L CB -0.131 41.915 42.059 -0.021 0.000 0.944 165 L HN 0.702 nan 8.230 nan 0.000 0.452 166 A N -1.306 121.541 122.820 0.044 0.000 2.552 166 A HA 0.700 5.020 4.320 -0.000 0.000 0.288 166 A C 0.001 177.587 177.584 0.004 0.000 1.193 166 A CA 0.005 52.049 52.037 0.011 0.000 0.713 166 A CB 0.704 19.698 19.000 -0.010 0.000 1.305 166 A HN 0.190 nan 8.150 nan 0.000 0.424 167 G N 0.101 108.881 108.800 -0.033 0.000 2.916 167 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.533 167 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.533 167 G C -0.228 174.613 174.900 -0.097 0.000 1.516 167 G CA 0.034 45.093 45.100 -0.067 0.000 0.944 167 G HN 1.399 nan 8.290 nan 0.000 0.555 168 N N 1.803 120.437 118.700 -0.110 0.000 2.801 168 N HA 0.335 5.075 4.740 -0.000 0.000 0.235 168 N C -1.988 173.422 175.510 -0.167 0.000 1.069 168 N CA -1.484 51.499 53.050 -0.112 0.000 0.946 168 N CB 0.916 39.356 38.487 -0.079 0.000 1.212 168 N HN 0.465 nan 8.380 nan 0.000 0.509 169 P HA 0.038 nan 4.420 nan 0.000 0.264 169 P C -0.654 176.539 177.300 -0.178 0.000 1.193 169 P CA 0.011 62.909 63.100 -0.337 0.000 0.763 169 P CB 0.925 32.364 31.700 -0.435 0.000 0.810 170 D N 3.966 124.275 120.400 -0.152 0.000 2.317 170 D HA 0.146 4.786 4.640 -0.000 0.000 0.234 170 D C 0.484 176.779 176.300 -0.009 0.000 1.112 170 D CA -0.687 53.272 54.000 -0.068 0.000 0.840 170 D CB 0.329 41.090 40.800 -0.066 0.000 1.078 170 D HN 0.106 nan 8.370 nan 0.000 0.486 171 I N 3.869 124.454 120.570 0.024 0.000 3.352 171 I HA -0.226 3.944 4.170 -0.000 0.000 0.344 171 I C 1.493 177.691 176.117 0.136 0.000 1.229 171 I CA 1.098 62.434 61.300 0.061 0.000 1.458 171 I CB -0.351 37.671 38.000 0.037 0.000 1.321 171 I HN 0.571 nan 8.210 nan 0.000 0.494 172 E N 4.785 125.050 120.200 0.108 0.000 2.307 172 E HA 0.007 4.357 4.350 -0.000 0.000 0.195 172 E C -0.250 176.153 176.600 -0.327 0.000 0.975 172 E CA 0.579 57.010 56.400 0.051 0.000 0.878 172 E CB 0.235 30.012 29.700 0.128 0.000 0.845 172 E HN 0.672 nan 8.360 nan 0.000 0.488 173 H N 0.499 119.497 119.070 -0.119 0.000 2.569 173 H HA 0.124 4.680 4.556 -0.000 0.000 0.247 173 H C -1.952 173.238 175.328 -0.231 0.000 1.346 173 H CA -1.924 54.013 56.048 -0.184 0.000 1.502 173 H CB 0.839 30.577 29.762 -0.039 0.000 1.512 173 H HN 0.006 nan 8.280 nan 0.000 0.502 174 P HA -0.241 nan 4.420 nan 0.000 0.220 174 P C 1.073 178.316 177.300 -0.096 0.000 1.144 174 P CA 1.161 64.135 63.100 -0.209 0.000 0.800 174 P CB 0.608 32.139 31.700 -0.280 0.000 0.772 175 E N 0.610 120.766 120.200 -0.073 0.000 2.204 175 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 175 E C 1.693 178.283 176.600 -0.017 0.000 0.990 175 E CA 2.013 58.391 56.400 -0.037 0.000 0.821 175 E CB -1.766 27.917 29.700 -0.028 0.000 0.750 175 E HN 0.361 nan 8.360 nan 0.000 0.477 176 T N -0.448 114.104 114.554 -0.003 0.000 2.746 176 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 176 T C 2.007 176.701 174.700 -0.010 0.000 1.039 176 T CA 1.327 63.425 62.100 -0.002 0.000 1.142 176 T CB -0.128 68.740 68.868 -0.000 0.000 0.866 176 T HN -0.016 nan 8.240 nan 0.000 0.444 177 M N 1.261 120.850 119.600 -0.018 0.000 2.098 177 M HA 0.169 4.649 4.480 -0.000 0.000 0.262 177 M C 1.568 177.861 176.300 -0.012 0.000 1.072 177 M CA 0.855 56.145 55.300 -0.016 0.000 1.133 177 M CB -1.390 31.198 32.600 -0.020 0.000 1.344 177 M HN 0.436 nan 8.290 nan 0.000 0.414 201 G N -0.160 108.616 108.800 -0.040 0.000 2.145 201 G HA2 0.481 4.441 3.960 -0.000 0.000 0.174 201 G HA3 0.481 4.441 3.960 -0.000 0.000 0.174 201 G C -0.340 174.519 174.900 -0.067 0.000 1.726 201 G CA -0.074 44.994 45.100 -0.053 0.000 1.080 201 G HN 0.705 nan 8.290 nan 0.000 0.606 202 G N 0.530 109.292 108.800 -0.063 0.000 2.552 202 G HA2 0.908 4.868 3.960 -0.000 0.000 0.324 202 G HA3 0.908 4.868 3.960 -0.000 0.000 0.324 202 G C 0.777 175.639 174.900 -0.063 0.000 1.217 202 G CA 0.423 45.484 45.100 -0.066 0.000 0.989 202 G HN 1.689 nan 8.290 nan 0.000 0.490 203 S N -1.556 114.112 115.700 -0.052 0.000 2.625 203 S HA 0.135 4.605 4.470 -0.000 0.000 0.258 203 S C 1.815 176.380 174.600 -0.058 0.000 1.256 203 S CA 0.366 58.551 58.200 -0.024 0.000 0.983 203 S CB 0.776 63.969 63.200 -0.011 0.000 1.032 203 S HN 1.395 nan 8.310 nan 0.000 0.572 204 V N -1.284 118.599 119.914 -0.052 0.000 2.591 204 V HA 0.072 4.192 4.120 -0.000 0.000 0.249 204 V C 2.121 178.055 176.094 -0.266 0.000 1.053 204 V CA 1.060 63.293 62.300 -0.111 0.000 1.068 204 V CB -1.360 30.454 31.823 -0.016 0.000 0.689 204 V HN 0.763 nan 8.190 nan 0.000 0.462 205 L N 2.054 123.186 121.223 -0.152 0.000 2.201 205 L HA -0.034 4.306 4.340 -0.000 0.000 0.212 205 L C 2.392 179.181 176.870 -0.135 0.000 1.105 205 L CA 1.555 56.318 54.840 -0.128 0.000 0.775 205 L CB -0.595 41.470 42.059 0.010 0.000 0.913 205 L HN 0.608 nan 8.230 nan 0.000 0.440 206 S N -0.537 115.096 115.700 -0.111 0.000 2.942 206 S HA 0.102 4.572 4.470 -0.000 0.000 0.244 206 S C 1.189 175.730 174.600 -0.098 0.000 1.011 206 S CA 0.258 58.415 58.200 -0.071 0.000 1.102 206 S CB -0.175 62.994 63.200 -0.052 0.000 0.812 206 S HN 0.400 nan 8.310 nan 0.000 0.486 207 G N -0.193 108.483 108.800 -0.206 0.000 2.958 207 G HA2 0.358 4.318 3.960 -0.000 0.000 0.225 207 G HA3 0.358 4.318 3.960 -0.000 0.000 0.225 207 G C -0.057 174.847 174.900 0.006 0.000 1.036 207 G CA -0.427 44.562 45.100 -0.185 0.000 0.880 207 G HN 0.532 nan 8.290 nan 0.000 0.557 208 F N 2.543 122.473 119.950 -0.034 0.000 2.469 208 F HA 0.383 4.910 4.527 0.000 0.000 0.332 208 F C 0.900 176.716 175.800 0.027 0.000 1.103 208 F CA -1.300 56.652 58.000 -0.080 0.000 0.979 208 F CB 1.953 40.826 39.000 -0.212 0.000 1.137 208 F HN 0.019 nan 8.300 nan 0.000 0.463 209 S N 1.795 117.654 115.700 0.265 0.000 2.563 209 S HA -0.041 4.429 4.470 -0.000 0.000 0.294 209 S C 1.041 175.810 174.600 0.281 0.000 1.279 209 S CA -0.614 57.727 58.200 0.235 0.000 1.069 209 S CB 0.790 64.129 63.200 0.231 0.000 0.828 209 S HN 0.870 nan 8.310 nan 0.000 0.497 210 K N 1.600 122.136 120.400 0.227 0.000 2.218 210 K HA -0.303 4.017 4.320 -0.000 0.000 0.205 210 K C 1.730 178.490 176.600 0.266 0.000 1.046 210 K CA 2.000 58.424 56.287 0.228 0.000 0.933 210 K CB -0.608 31.990 32.500 0.163 0.000 0.728 210 K HN 0.817 nan 8.250 nan 0.000 0.454 211 H N 0.149 119.314 119.070 0.158 0.000 2.387 211 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 211 H C 1.611 177.022 175.328 0.138 0.000 1.090 211 H CA 1.627 57.746 56.048 0.119 0.000 1.332 211 H CB -0.245 29.566 29.762 0.082 0.000 1.386 211 H HN 0.307 nan 8.280 nan 0.000 0.516 212 F N 0.362 120.322 119.950 0.016 0.000 2.075 212 F HA -0.156 4.371 4.527 0.000 0.000 0.297 212 F C 1.959 177.717 175.800 -0.071 0.000 1.113 212 F CA 1.008 58.956 58.000 -0.087 0.000 1.218 212 F CB -0.448 38.517 39.000 -0.058 0.000 0.984 212 F HN 0.139 nan 8.300 nan 0.000 0.472 213 L N 0.165 121.651 121.223 0.438 0.000 2.083 213 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 213 L C 2.762 179.830 176.870 0.330 0.000 1.083 213 L CA 1.780 56.869 54.840 0.415 0.000 0.752 213 L CB -2.466 39.947 42.059 0.591 0.000 0.899 213 L HN 0.266 nan 8.230 nan 0.000 0.433 214 A N -0.291 122.660 122.820 0.218 0.000 1.873 214 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 214 A C 2.271 179.866 177.584 0.018 0.000 1.193 214 A CA 1.782 53.900 52.037 0.134 0.000 0.629 214 A CB -0.524 18.531 19.000 0.092 0.000 0.826 214 A HN 0.526 nan 8.150 nan 0.000 0.447 215 Q N -0.345 119.368 119.800 -0.145 0.000 2.084 215 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 215 Q C 2.524 178.412 176.000 -0.186 0.000 0.978 215 Q CA 1.705 57.372 55.803 -0.226 0.000 0.844 215 Q CB -0.248 28.239 28.738 -0.418 0.000 0.898 215 Q HN 0.681 nan 8.270 nan 0.000 0.426 216 S N 0.874 116.443 115.700 -0.219 0.000 2.351 216 S HA -0.120 4.350 4.470 -0.000 0.000 0.220 216 S C 1.510 175.941 174.600 -0.282 0.000 1.035 216 S CA 1.304 59.326 58.200 -0.298 0.000 1.031 216 S CB -0.375 62.588 63.200 -0.396 0.000 0.928 216 S HN 0.312 nan 8.310 nan 0.000 0.433 217 F N 1.825 121.799 119.950 0.042 0.000 2.802 217 F HA 0.169 4.696 4.527 0.000 0.000 0.300 217 F C 0.399 176.205 175.800 0.011 0.000 1.168 217 F CA -0.108 57.912 58.000 0.034 0.000 1.433 217 F CB -0.916 38.111 39.000 0.046 0.000 1.115 217 F HN 0.104 nan 8.300 nan 0.000 0.582 218 N N 0.026 118.791 118.700 0.109 0.000 2.738 218 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 218 N C -0.106 175.452 175.510 0.081 0.000 1.047 218 N CA 1.033 54.119 53.050 0.060 0.000 0.707 218 N CB -1.555 36.958 38.487 0.044 0.000 0.937 218 N HN 0.362 nan 8.380 nan 0.000 0.545 219 T N -1.485 113.131 114.554 0.103 0.000 2.716 219 T HA 0.614 4.964 4.350 -0.000 0.000 0.286 219 T C -0.354 174.391 174.700 0.075 0.000 1.052 219 T CA -0.408 61.743 62.100 0.085 0.000 1.024 219 T CB 0.837 69.762 68.868 0.096 0.000 1.349 219 T HN 0.376 nan 8.240 nan 0.000 0.525 220 N N 0.397 119.134 118.700 0.062 0.000 2.364 220 N HA 0.283 5.023 4.740 -0.000 0.000 0.264 220 N C 0.694 176.254 175.510 0.083 0.000 1.263 220 N CA -0.278 52.810 53.050 0.064 0.000 0.959 220 N CB 0.247 38.760 38.487 0.044 0.000 1.204 220 N HN 0.682 nan 8.380 nan 0.000 0.550 221 E N -1.607 118.646 120.200 0.088 0.000 2.250 221 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 221 E C 0.412 177.055 176.600 0.071 0.000 0.986 221 E CA 0.564 57.025 56.400 0.101 0.000 0.849 221 E CB -0.089 29.678 29.700 0.113 0.000 0.797 221 E HN 0.736 nan 8.360 nan 0.000 0.482 222 D N 0.842 121.271 120.400 0.048 0.000 2.092 222 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 222 D C 1.822 178.135 176.300 0.021 0.000 0.994 222 D CA 1.869 55.886 54.000 0.029 0.000 0.828 222 D CB -0.002 40.809 40.800 0.018 0.000 0.963 222 D HN -0.074 nan 8.370 nan 0.000 0.450 223 T N -0.160 114.405 114.554 0.017 0.000 2.788 223 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 223 T C 1.903 176.604 174.700 0.002 0.000 1.044 223 T CA 1.366 63.464 62.100 -0.005 0.000 1.139 223 T CB -0.593 68.267 68.868 -0.012 0.000 0.867 223 T HN 0.316 nan 8.240 nan 0.000 0.454 224 A N 2.032 124.882 122.820 0.049 0.000 1.859 224 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 224 A C 2.298 179.922 177.584 0.067 0.000 1.198 224 A CA 1.553 53.645 52.037 0.093 0.000 0.629 224 A CB -0.602 18.487 19.000 0.148 0.000 0.830 224 A HN 0.317 nan 8.150 nan 0.000 0.446 225 E N 0.080 120.315 120.200 0.058 0.000 2.130 225 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 225 E C 1.989 178.597 176.600 0.013 0.000 0.998 225 E CA 1.135 57.559 56.400 0.041 0.000 0.806 225 E CB -0.276 29.444 29.700 0.033 0.000 0.738 225 E HN 0.465 nan 8.360 nan 0.000 0.459 226 K N 0.395 120.793 120.400 -0.004 0.000 2.020 226 K HA -0.137 4.183 4.320 -0.000 0.000 0.212 226 K C 2.102 178.678 176.600 -0.040 0.000 1.050 226 K CA 0.701 56.971 56.287 -0.029 0.000 0.929 226 K CB -0.574 31.899 32.500 -0.045 0.000 0.714 226 K HN 0.172 nan 8.250 nan 0.000 0.443 227 L N 0.839 122.031 121.223 -0.050 0.000 2.191 227 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 227 L C 2.255 179.113 176.870 -0.020 0.000 1.103 227 L CA 1.427 56.229 54.840 -0.063 0.000 0.769 227 L CB -0.948 41.051 42.059 -0.099 0.000 0.908 227 L HN 0.221 nan 8.230 nan 0.000 0.438 228 R N -0.435 120.069 120.500 0.006 0.000 2.236 228 R HA 0.016 4.356 4.340 -0.000 0.000 0.208 228 R C 0.702 176.995 176.300 -0.013 0.000 1.036 228 R CA 0.406 56.510 56.100 0.007 0.000 1.001 228 R CB 0.054 30.373 30.300 0.031 0.000 0.896 228 R HN 0.250 nan 8.270 nan 0.000 0.464 229 S N 0.573 116.262 115.700 -0.018 0.000 3.410 229 S HA -0.103 4.367 4.470 -0.000 0.000 0.369 229 S C -2.036 172.550 174.600 -0.024 0.000 0.961 229 S CA 0.329 58.513 58.200 -0.026 0.000 1.248 229 S CB -0.597 62.581 63.200 -0.037 0.000 0.914 229 S HN 0.338 nan 8.310 nan 0.000 0.497 230 P HA 0.000 nan 4.420 nan 0.000 0.233 230 P C 1.033 178.323 177.300 -0.016 0.000 1.167 230 P CA 0.995 64.088 63.100 -0.012 0.000 0.770 230 P CB 0.106 31.806 31.700 -0.000 0.000 0.837 231 D N -2.170 118.220 120.400 -0.017 0.000 2.431 231 D HA -0.040 4.600 4.640 -0.000 0.000 0.235 231 D C 0.747 177.032 176.300 -0.024 0.000 0.980 231 D CA 0.192 54.181 54.000 -0.018 0.000 0.912 231 D CB -1.598 39.194 40.800 -0.015 0.000 1.056 231 D HN -0.024 nan 8.370 nan 0.000 0.494 232 D N 1.439 121.822 120.400 -0.028 0.000 2.667 232 D HA -0.153 4.487 4.640 -0.000 0.000 0.226 232 D C 0.191 176.469 176.300 -0.038 0.000 1.137 232 D CA 0.767 54.747 54.000 -0.034 0.000 0.855 232 D CB 0.544 41.321 40.800 -0.039 0.000 1.194 232 D HN 0.575 nan 8.370 nan 0.000 0.492 233 E N 2.121 122.299 120.200 -0.037 0.000 3.521 233 E HA 0.168 4.518 4.350 -0.000 0.000 0.183 233 E C 0.167 176.742 176.600 -0.042 0.000 0.981 233 E CA -0.448 55.928 56.400 -0.041 0.000 1.349 233 E CB 0.141 29.821 29.700 -0.033 0.000 1.102 233 E HN 0.308 nan 8.360 nan 0.000 0.449 234 R N 1.486 121.959 120.500 -0.045 0.000 2.359 234 R HA 0.124 4.464 4.340 -0.000 0.000 0.231 234 R C -0.161 176.107 176.300 -0.055 0.000 0.913 234 R CA -0.373 55.702 56.100 -0.041 0.000 1.075 234 R CB 0.075 30.358 30.300 -0.029 0.000 1.087 234 R HN 0.016 nan 8.270 nan 0.000 0.515 235 K N 0.184 120.539 120.400 -0.076 0.000 1.550 235 K HA -0.245 4.075 4.320 -0.000 0.000 0.655 235 K C 1.121 177.637 176.600 -0.140 0.000 1.846 235 K CA 1.101 57.322 56.287 -0.109 0.000 1.076 235 K CB -0.864 31.580 32.500 -0.093 0.000 1.876 235 K HN 0.017 nan 8.250 nan 0.000 0.594 236 Q N 0.579 120.267 119.800 -0.188 0.000 1.985 236 Q HA -0.039 4.301 4.340 -0.000 0.000 0.207 236 Q C 1.434 177.408 176.000 -0.043 0.000 0.996 236 Q CA 1.898 57.566 55.803 -0.225 0.000 0.851 236 Q CB -0.387 28.225 28.738 -0.211 0.000 0.921 236 Q HN 0.609 nan 8.270 nan 0.000 0.418 237 I N 1.275 121.818 120.570 -0.045 0.000 2.577 237 I HA 0.289 4.459 4.170 -0.000 0.000 0.300 237 I C 0.141 176.278 176.117 0.034 0.000 0.990 237 I CA -0.980 60.335 61.300 0.026 0.000 1.283 237 I CB 1.639 39.632 38.000 -0.012 0.000 1.411 237 I HN -0.035 nan 8.210 nan 0.000 0.515 238 V N 0.528 120.488 119.914 0.077 0.000 3.159 238 V HA 0.696 4.816 4.120 -0.000 0.000 0.308 238 V C -0.357 175.797 176.094 0.100 0.000 1.190 238 V CA -0.696 61.640 62.300 0.060 0.000 1.037 238 V CB 1.697 33.542 31.823 0.037 0.000 1.060 238 V HN 0.815 nan 8.190 nan 0.000 0.437 239 T N -0.447 114.156 114.554 0.081 0.000 2.829 239 T HA 0.713 5.063 4.350 -0.000 0.000 0.282 239 T C -0.309 174.445 174.700 0.090 0.000 0.990 239 T CA -0.637 61.533 62.100 0.117 0.000 1.028 239 T CB 1.334 70.255 68.868 0.088 0.000 0.951 239 T HN 1.067 nan 8.240 nan 0.000 0.460 240 V N 4.180 124.170 119.914 0.126 0.000 2.339 240 V HA 0.218 4.338 4.120 -0.000 0.000 0.261 240 V C 0.586 176.695 176.094 0.026 0.000 1.058 240 V CA -0.832 61.472 62.300 0.006 0.000 0.897 240 V CB -0.265 31.448 31.823 -0.183 0.000 1.052 240 V HN 0.853 nan 8.190 nan 0.000 0.480 241 E N 3.220 123.423 120.200 0.005 0.000 2.415 241 E HA 0.227 4.577 4.350 -0.000 0.000 0.262 241 E C 1.459 178.058 176.600 -0.002 0.000 1.038 241 E CA 0.896 57.300 56.400 0.008 0.000 0.921 241 E CB 0.562 30.259 29.700 -0.004 0.000 0.950 241 E HN 0.870 nan 8.360 nan 0.000 0.438 242 G N 1.373 110.179 108.800 0.010 0.000 2.779 242 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.230 242 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.230 242 G C 0.729 175.639 174.900 0.017 0.000 1.243 242 G CA 0.646 45.749 45.100 0.005 0.000 0.769 242 G HN 1.270 nan 8.290 nan 0.000 0.516 243 G N -1.513 107.296 108.800 0.014 0.000 2.480 243 G HA2 0.534 4.494 3.960 -0.000 0.000 0.109 243 G HA3 0.534 4.494 3.960 -0.000 0.000 0.109 243 G C -1.702 173.166 174.900 -0.054 0.000 1.172 243 G CA 0.251 45.374 45.100 0.039 0.000 1.091 243 G HN 1.861 nan 8.290 nan 0.000 0.464 244 L N 0.166 121.357 121.223 -0.053 0.000 2.902 244 L HA 0.679 5.019 4.340 -0.000 0.000 0.261 244 L C 0.501 177.341 176.870 -0.050 0.000 0.928 244 L CA 0.410 55.164 54.840 -0.143 0.000 1.024 244 L CB 1.311 43.144 42.059 -0.377 0.000 1.629 244 L HN 1.248 nan 8.230 nan 0.000 0.478 245 S N 2.470 118.127 115.700 -0.072 0.000 2.695 245 S HA 0.477 4.947 4.470 -0.000 0.000 0.250 245 S C 0.182 174.783 174.600 0.001 0.000 1.355 245 S CA 0.537 58.711 58.200 -0.045 0.000 0.965 245 S CB 0.230 63.377 63.200 -0.089 0.000 0.987 245 S HN 1.648 nan 8.310 nan 0.000 0.576 246 V N 0.552 120.461 119.914 -0.009 0.000 5.979 246 V HA -0.163 3.957 4.120 -0.000 0.000 0.296 246 V C -0.284 175.889 176.094 0.131 0.000 0.582 246 V CA 0.971 63.287 62.300 0.027 0.000 0.932 246 V CB -2.493 29.355 31.823 0.041 0.000 1.005 246 V HN 0.583 nan 8.190 nan 0.000 0.511 327 c N 2.452 120.965 118.600 -0.145 0.000 2.422 327 c HA 0.000 4.570 4.570 -0.000 0.000 0.286 327 c C 2.000 176.072 174.090 -0.030 0.000 1.412 327 c CA 1.747 58.012 56.329 -0.106 0.000 1.786 327 c CB -1.602 40.898 42.510 -0.017 0.000 1.835 327 c HN 0.752 nan 8.230 nan 0.000 0.533 328 T N -3.702 110.833 114.554 -0.033 0.000 3.228 328 T HA 0.371 4.721 4.350 -0.000 0.000 0.278 328 T C 0.186 174.888 174.700 0.003 0.000 1.014 328 T CA -0.107 61.993 62.100 0.000 0.000 0.904 328 T CB -0.387 68.479 68.868 -0.002 0.000 1.110 328 T HN 0.329 nan 8.240 nan 0.000 0.541 329 M N 2.840 122.432 119.600 -0.014 0.000 2.821 329 M HA 0.233 4.713 4.480 -0.000 0.000 0.305 329 M C 0.029 176.363 176.300 0.057 0.000 1.466 329 M CA -0.146 55.154 55.300 0.000 0.000 1.526 329 M CB 0.011 32.591 32.600 -0.033 0.000 1.321 329 M HN 0.044 nan 8.290 nan 0.000 0.492 330 K N 2.692 123.129 120.400 0.061 0.000 2.272 330 K HA -0.118 4.202 4.320 -0.000 0.000 0.259 330 K C 0.620 177.292 176.600 0.120 0.000 1.280 330 K CA -0.014 56.331 56.287 0.096 0.000 1.275 330 K CB 0.260 32.799 32.500 0.065 0.000 0.800 330 K HN 0.593 nan 8.250 nan 0.000 0.484 331 L N 2.938 124.274 121.223 0.189 0.000 2.627 331 L HA 0.020 4.360 4.340 -0.000 0.000 0.232 331 L C 0.158 177.152 176.870 0.207 0.000 1.150 331 L CA 0.735 55.701 54.840 0.211 0.000 0.917 331 L CB -1.246 41.007 42.059 0.324 0.000 1.104 331 L HN 0.556 nan 8.230 nan 0.000 0.445 332 H N 0.119 119.242 119.070 0.088 0.000 2.472 332 H HA 0.578 5.134 4.556 -0.000 0.000 0.338 332 H C -1.113 174.250 175.328 0.058 0.000 1.133 332 H CA -0.434 55.654 56.048 0.066 0.000 1.216 332 H CB 1.317 31.111 29.762 0.053 0.000 1.497 332 H HN 0.033 nan 8.280 nan 0.000 0.500 333 E N 3.125 123.050 120.200 -0.458 0.000 2.647 333 E HA 0.143 4.493 4.350 -0.000 0.000 0.320 333 E C -1.879 174.638 176.600 -0.138 0.000 0.951 333 E CA -0.541 55.595 56.400 -0.441 0.000 0.809 333 E CB 0.592 30.189 29.700 -0.173 0.000 1.295 333 E HN 0.712 nan 8.360 nan 0.000 0.407 334 N N 4.087 122.727 118.700 -0.099 0.000 2.422 334 N HA 0.268 5.008 4.740 -0.000 0.000 0.264 334 N C 0.602 176.127 175.510 0.025 0.000 1.063 334 N CA -0.011 53.070 53.050 0.052 0.000 0.959 334 N CB 0.693 39.234 38.487 0.090 0.000 1.087 334 N HN 0.730 nan 8.380 nan 0.000 0.483 335 I N 3.256 123.867 120.570 0.067 0.000 2.852 335 I HA 0.027 4.197 4.170 -0.000 0.000 0.264 335 I C 1.689 177.803 176.117 -0.006 0.000 1.179 335 I CA 0.513 61.854 61.300 0.070 0.000 1.480 335 I CB 0.015 38.126 38.000 0.184 0.000 1.111 335 I HN 0.696 nan 8.210 nan 0.000 0.441 336 A N 1.232 124.018 122.820 -0.058 0.000 1.865 336 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 336 A C 1.077 178.581 177.584 -0.135 0.000 1.191 336 A CA 0.764 52.684 52.037 -0.194 0.000 0.623 336 A CB -0.557 18.343 19.000 -0.167 0.000 0.826 336 A HN 0.382 nan 8.150 nan 0.000 0.444 337 R N 0.166 120.622 120.500 -0.074 0.000 4.190 337 R HA -0.101 4.239 4.340 -0.000 0.000 0.233 337 R C -2.325 173.924 176.300 -0.085 0.000 0.471 337 R CA -0.199 55.862 56.100 -0.065 0.000 0.966 337 R CB -1.188 29.088 30.300 -0.041 0.000 0.942 337 R HN 0.314 nan 8.270 nan 0.000 0.304 338 P HA 0.011 nan 4.420 nan 0.000 0.249 338 P C 0.438 177.663 177.300 -0.125 0.000 1.686 338 P CA 0.404 63.430 63.100 -0.123 0.000 0.873 338 P CB 0.103 31.725 31.700 -0.130 0.000 1.828 339 S N -0.477 115.164 115.700 -0.099 0.000 2.641 339 S HA 0.089 4.559 4.470 -0.000 0.000 0.239 339 S C 0.924 175.473 174.600 -0.086 0.000 1.081 339 S CA -0.328 57.818 58.200 -0.090 0.000 0.904 339 S CB -0.008 63.153 63.200 -0.065 0.000 0.803 339 S HN 0.080 nan 8.310 nan 0.000 0.510 340 R N 2.115 122.568 120.500 -0.079 0.000 3.057 340 R HA 0.857 5.197 4.340 -0.000 0.000 0.291 340 R C 0.092 176.338 176.300 -0.090 0.000 1.394 340 R CA -0.400 55.654 56.100 -0.077 0.000 1.630 340 R CB -0.495 29.770 30.300 -0.060 0.000 1.268 340 R HN 0.359 nan 8.270 nan 0.000 0.621 341 A N 0.368 123.122 122.820 -0.111 0.000 3.204 341 A HA 0.505 4.825 4.320 -0.000 0.000 0.197 341 A C 0.088 177.556 177.584 -0.194 0.000 1.915 341 A CA 0.056 52.014 52.037 -0.130 0.000 0.878 341 A CB 0.390 19.316 19.000 -0.125 0.000 1.868 341 A HN 0.418 nan 8.150 nan 0.000 0.685 342 D N -2.719 117.510 120.400 -0.285 0.000 2.618 342 D HA 0.231 4.871 4.640 -0.000 0.000 0.278 342 D C -0.999 174.864 176.300 -0.728 0.000 1.203 342 D CA 0.632 54.279 54.000 -0.588 0.000 1.073 342 D CB 0.321 40.637 40.800 -0.807 0.000 1.632 342 D HN 0.277 nan 8.370 nan 0.000 0.473 343 F N 0.801 120.707 119.950 -0.074 0.000 2.529 343 F HA 0.393 4.920 4.527 -0.000 0.000 0.320 343 F C -0.717 175.070 175.800 -0.022 0.000 1.118 343 F CA -1.246 56.705 58.000 -0.082 0.000 0.915 343 F CB 1.701 40.588 39.000 -0.188 0.000 1.161 343 F HN -0.178 nan 8.300 nan 0.000 0.445 344 Y N 3.304 123.623 120.300 0.033 0.000 2.376 344 Y HA 0.477 5.027 4.550 -0.000 0.000 0.326 344 Y C -1.038 174.821 175.900 -0.069 0.000 0.970 344 Y CA -0.733 57.339 58.100 -0.047 0.000 1.248 344 Y CB 0.914 39.355 38.460 -0.032 0.000 1.117 344 Y HN 0.676 nan 8.280 nan 0.000 0.476 345 N N 8.679 127.232 118.700 -0.246 0.000 2.682 345 N HA 0.321 5.061 4.740 -0.000 0.000 0.252 345 N C -2.358 172.915 175.510 -0.396 0.000 1.081 345 N CA -2.424 50.395 53.050 -0.386 0.000 0.844 345 N CB 1.389 39.712 38.487 -0.273 0.000 1.167 345 N HN 0.330 nan 8.380 nan 0.000 0.523 346 P HA -0.091 nan 4.420 nan 0.000 0.261 346 P C -0.312 177.091 177.300 0.171 0.000 1.288 346 P CA 0.987 64.080 63.100 -0.012 0.000 0.751 346 P CB 0.061 31.697 31.700 -0.106 0.000 1.103 347 K N -2.011 118.402 120.400 0.022 0.000 2.558 347 K HA 0.347 4.667 4.320 -0.000 0.000 0.215 347 K C 1.329 177.959 176.600 0.050 0.000 1.298 347 K CA 0.280 56.631 56.287 0.106 0.000 1.008 347 K CB 0.974 33.481 32.500 0.012 0.000 1.073 347 K HN -0.018 nan 8.250 nan 0.000 0.606 348 A N 0.772 123.483 122.820 -0.182 0.000 2.263 348 A HA 0.583 4.903 4.320 -0.000 0.000 0.200 348 A C 0.767 178.033 177.584 -0.529 0.000 1.428 348 A CA 0.669 52.573 52.037 -0.222 0.000 1.050 348 A CB 0.816 19.701 19.000 -0.192 0.000 1.226 348 A HN 0.281 nan 8.150 nan 0.000 0.501 349 G N -0.107 108.062 108.800 -1.051 0.000 2.297 349 G HA2 0.315 4.275 3.960 -0.000 0.000 0.209 349 G HA3 0.315 4.275 3.960 -0.000 0.000 0.209 349 G C -0.536 174.075 174.900 -0.482 0.000 1.267 349 G CA 0.042 44.408 45.100 -1.224 0.000 1.127 349 G HN 1.328 nan 8.290 nan 0.000 0.498 350 R N -1.391 118.948 120.500 -0.269 0.000 2.733 350 R HA 0.813 5.153 4.340 -0.000 0.000 0.272 350 R C -1.595 174.628 176.300 -0.129 0.000 1.029 350 R CA -1.140 54.891 56.100 -0.116 0.000 0.888 350 R CB 1.102 31.391 30.300 -0.020 0.000 1.251 350 R HN 0.890 nan 8.270 nan 0.000 0.464 351 I N 1.070 121.579 120.570 -0.101 0.000 2.571 351 I HA 0.295 4.465 4.170 -0.000 0.000 0.289 351 I C -0.887 175.187 176.117 -0.072 0.000 1.115 351 I CA -0.858 60.383 61.300 -0.099 0.000 1.045 351 I CB 2.626 40.535 38.000 -0.152 0.000 1.238 351 I HN 0.609 nan 8.210 nan 0.000 0.424 352 S N 3.159 118.843 115.700 -0.026 0.000 2.475 352 S HA 0.659 5.129 4.470 -0.000 0.000 0.298 352 S C -0.271 174.342 174.600 0.022 0.000 1.119 352 S CA -0.504 57.682 58.200 -0.023 0.000 1.085 352 S CB 1.871 65.063 63.200 -0.014 0.000 1.028 352 S HN 0.564 nan 8.310 nan 0.000 0.489 353 T N 2.892 117.446 114.554 -0.001 0.000 2.887 353 T HA 0.611 4.961 4.350 -0.000 0.000 0.288 353 T C -1.261 173.459 174.700 0.033 0.000 1.021 353 T CA -0.499 61.620 62.100 0.032 0.000 1.000 353 T CB 1.293 70.171 68.868 0.016 0.000 1.034 353 T HN 0.342 nan 8.240 nan 0.000 0.467 354 L N 4.107 125.367 121.223 0.061 0.000 2.376 354 L HA 0.700 5.040 4.340 -0.000 0.000 0.275 354 L C -1.017 175.894 176.870 0.068 0.000 0.987 354 L CA -0.322 54.551 54.840 0.056 0.000 0.828 354 L CB 1.124 43.223 42.059 0.066 0.000 1.249 354 L HN 0.884 nan 8.230 nan 0.000 0.409 355 N N 0.527 119.264 118.700 0.062 0.000 3.204 355 N HA 0.367 5.107 4.740 -0.000 0.000 0.285 355 N C 0.322 175.884 175.510 0.087 0.000 1.536 355 N CA -0.285 52.817 53.050 0.088 0.000 0.832 355 N CB 0.566 39.107 38.487 0.090 0.000 1.645 355 N HN 0.284 nan 8.380 nan 0.000 0.586 356 S N -0.858 114.919 115.700 0.128 0.000 2.465 356 S HA -0.138 4.332 4.470 -0.000 0.000 0.241 356 S C 1.350 175.986 174.600 0.060 0.000 1.000 356 S CA 0.801 59.060 58.200 0.098 0.000 0.964 356 S CB -0.607 62.674 63.200 0.135 0.000 0.763 356 S HN 0.431 nan 8.310 nan 0.000 0.512 357 L N 2.340 123.601 121.223 0.063 0.000 2.005 357 L HA -0.023 4.317 4.340 -0.000 0.000 0.207 357 L C 3.164 180.044 176.870 0.016 0.000 1.072 357 L CA 2.201 57.062 54.840 0.036 0.000 0.744 357 L CB -1.513 40.565 42.059 0.032 0.000 0.895 357 L HN 0.663 nan 8.230 nan 0.000 0.433 358 T N -3.458 111.104 114.554 0.013 0.000 2.976 358 T HA 0.041 4.391 4.350 -0.000 0.000 0.257 358 T C 0.807 175.506 174.700 -0.002 0.000 1.051 358 T CA 0.158 62.257 62.100 -0.001 0.000 1.141 358 T CB -0.102 68.760 68.868 -0.010 0.000 0.881 358 T HN -0.022 nan 8.240 nan 0.000 0.461 359 L N 2.885 124.115 121.223 0.013 0.000 2.506 359 L HA 0.510 4.850 4.340 -0.000 0.000 0.247 359 L C -2.158 174.728 176.870 0.027 0.000 1.141 359 L CA -2.615 52.235 54.840 0.018 0.000 0.973 359 L CB 1.456 43.531 42.059 0.027 0.000 1.319 359 L HN -0.155 nan 8.230 nan 0.000 0.455 360 P HA -0.300 nan 4.420 nan 0.000 0.217 360 P C 1.630 178.914 177.300 -0.027 0.000 1.162 360 P CA 2.422 65.513 63.100 -0.014 0.000 0.901 360 P CB 0.235 31.919 31.700 -0.027 0.000 0.793 361 A N -0.603 122.216 122.820 -0.003 0.000 1.944 361 A HA -0.295 4.025 4.320 -0.000 0.000 0.222 361 A C 2.203 179.796 177.584 0.015 0.000 1.237 361 A CA 2.363 54.407 52.037 0.012 0.000 0.668 361 A CB -1.921 17.150 19.000 0.118 0.000 0.830 361 A HN 0.160 nan 8.150 nan 0.000 0.471 362 L N -1.633 119.651 121.223 0.101 0.000 2.103 362 L HA -0.327 4.013 4.340 -0.000 0.000 0.215 362 L C 2.678 179.569 176.870 0.035 0.000 1.080 362 L CA 1.925 56.856 54.840 0.152 0.000 0.764 362 L CB -0.599 41.542 42.059 0.138 0.000 0.890 362 L HN 0.478 nan 8.230 nan 0.000 0.435 363 R N 0.566 121.025 120.500 -0.069 0.000 2.159 363 R HA -0.273 4.067 4.340 -0.000 0.000 0.249 363 R C 2.171 178.295 176.300 -0.294 0.000 1.136 363 R CA 2.032 57.983 56.100 -0.249 0.000 0.951 363 R CB -0.528 29.595 30.300 -0.295 0.000 0.876 363 R HN 0.304 nan 8.270 nan 0.000 0.440 364 Q N -1.347 118.205 119.800 -0.413 0.000 2.291 364 Q HA 0.015 4.355 4.340 -0.000 0.000 0.205 364 Q C 1.278 176.938 176.000 -0.566 0.000 0.970 364 Q CA 1.245 56.708 55.803 -0.566 0.000 0.876 364 Q CB 0.018 28.253 28.738 -0.837 0.000 0.935 364 Q HN 0.411 nan 8.270 nan 0.000 0.455 365 F N -1.220 118.723 119.950 -0.013 0.000 2.695 365 F HA 0.369 4.896 4.527 -0.000 0.000 0.303 365 F C 1.169 176.982 175.800 0.022 0.000 1.091 365 F CA -0.053 57.949 58.000 0.003 0.000 1.300 365 F CB -0.086 38.904 39.000 -0.018 0.000 1.071 365 F HN -0.025 nan 8.300 nan 0.000 0.578 366 G N 2.373 111.248 108.800 0.125 0.000 2.352 366 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.283 366 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.283 366 G C -0.614 174.346 174.900 0.100 0.000 0.946 366 G CA 0.154 45.312 45.100 0.097 0.000 1.317 366 G HN 0.367 nan 8.290 nan 0.000 0.478 367 L N 0.283 121.583 121.223 0.128 0.000 2.641 367 L HA 0.593 4.933 4.340 -0.000 0.000 0.261 367 L C 0.057 176.987 176.870 0.101 0.000 0.926 367 L CA -0.424 54.473 54.840 0.096 0.000 0.917 367 L CB 2.316 44.408 42.059 0.055 0.000 1.361 367 L HN 0.609 nan 8.230 nan 0.000 0.417 368 S N 1.669 117.432 115.700 0.104 0.000 2.632 368 S HA 1.006 5.476 4.470 -0.000 0.000 0.289 368 S C -0.766 173.913 174.600 0.131 0.000 1.115 368 S CA -0.437 57.828 58.200 0.110 0.000 0.889 368 S CB 2.799 66.068 63.200 0.116 0.000 1.116 368 S HN 0.843 nan 8.310 nan 0.000 0.486 369 A N 0.566 123.472 122.820 0.144 0.000 2.566 369 A HA 0.839 5.159 4.320 -0.000 0.000 0.292 369 A C -1.387 176.300 177.584 0.171 0.000 1.112 369 A CA -0.869 51.295 52.037 0.212 0.000 0.707 369 A CB 1.595 20.773 19.000 0.297 0.000 1.302 369 A HN 0.826 nan 8.150 nan 0.000 0.409 370 Q N -0.632 119.269 119.800 0.169 0.000 2.421 370 Q HA 0.459 4.799 4.340 -0.000 0.000 0.280 370 Q C -2.154 173.902 176.000 0.094 0.000 1.085 370 Q CA -0.594 55.286 55.803 0.128 0.000 0.807 370 Q CB 2.824 31.634 28.738 0.120 0.000 1.405 370 Q HN 0.642 nan 8.270 nan 0.000 0.419 371 Y N 1.307 121.596 120.300 -0.020 0.000 2.805 371 Y HA 0.320 4.870 4.550 -0.000 0.000 0.339 371 Y C -0.949 174.826 175.900 -0.210 0.000 1.012 371 Y CA -0.656 57.395 58.100 -0.083 0.000 1.262 371 Y CB 0.745 39.190 38.460 -0.024 0.000 1.100 371 Y HN 0.366 nan 8.280 nan 0.000 0.559 372 V N 5.057 124.791 119.914 -0.300 0.000 2.614 372 V HA 0.307 4.427 4.120 -0.000 0.000 0.291 372 V C -0.214 175.652 176.094 -0.379 0.000 1.049 372 V CA -0.406 61.617 62.300 -0.461 0.000 1.038 372 V CB 1.163 32.492 31.823 -0.824 0.000 0.980 372 V HN 0.352 nan 8.190 nan 0.000 0.481 373 V N 6.278 126.091 119.914 -0.169 0.000 2.482 373 V HA 0.434 4.554 4.120 -0.000 0.000 0.295 373 V C -0.439 175.644 176.094 -0.019 0.000 1.026 373 V CA -0.417 61.873 62.300 -0.017 0.000 0.856 373 V CB 1.600 33.463 31.823 0.066 0.000 1.001 373 V HN 0.633 nan 8.190 nan 0.000 0.424 374 L N 5.517 126.794 121.223 0.090 0.000 2.298 374 L HA 0.545 4.885 4.340 -0.000 0.000 0.284 374 L C 0.152 177.163 176.870 0.236 0.000 1.013 374 L CA -0.422 54.476 54.840 0.096 0.000 0.824 374 L CB 1.014 43.164 42.059 0.151 0.000 1.221 374 L HN 0.567 nan 8.230 nan 0.000 0.418 375 Y N 2.096 122.416 120.300 0.033 0.000 2.837 375 Y HA 0.045 4.595 4.550 -0.000 0.000 0.498 375 Y C 1.046 176.965 175.900 0.031 0.000 1.430 375 Y CA -1.055 57.063 58.100 0.030 0.000 2.159 375 Y CB 0.282 38.755 38.460 0.020 0.000 1.806 375 Y HN 0.540 nan 8.280 nan 0.000 0.672 376 R N 2.101 122.733 120.500 0.220 0.000 2.404 376 R HA 0.030 4.370 4.340 -0.000 0.000 0.315 376 R C -0.421 175.938 176.300 0.099 0.000 1.032 376 R CA 0.233 56.402 56.100 0.115 0.000 0.992 376 R CB -0.257 30.086 30.300 0.072 0.000 0.959 376 R HN 0.662 nan 8.270 nan 0.000 0.428 377 N N 0.487 119.235 118.700 0.080 0.000 2.765 377 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 377 N C 0.311 175.856 175.510 0.059 0.000 1.063 377 N CA 1.613 54.700 53.050 0.061 0.000 0.862 377 N CB -1.348 37.165 38.487 0.044 0.000 1.145 377 N HN 0.931 nan 8.380 nan 0.000 0.581 378 G N 0.592 109.436 108.800 0.073 0.000 2.321 378 G HA2 0.344 4.304 3.960 -0.000 0.000 0.237 378 G HA3 0.344 4.304 3.960 -0.000 0.000 0.237 378 G C 0.297 175.218 174.900 0.035 0.000 1.282 378 G CA 0.010 45.128 45.100 0.030 0.000 0.886 378 G HN 0.351 nan 8.290 nan 0.000 0.528 379 I N 1.127 121.699 120.570 0.003 0.000 2.530 379 I HA 0.196 4.366 4.170 -0.000 0.000 0.297 379 I C -1.074 175.068 176.117 0.042 0.000 1.011 379 I CA -1.007 60.319 61.300 0.043 0.000 1.107 379 I CB 2.310 40.329 38.000 0.031 0.000 1.285 379 I HN 0.401 nan 8.210 nan 0.000 0.436 380 Y N 5.607 125.888 120.300 -0.031 0.000 2.593 380 Y HA 0.284 4.834 4.550 -0.000 0.000 0.331 380 Y C 0.648 176.526 175.900 -0.037 0.000 0.986 380 Y CA -1.076 56.965 58.100 -0.098 0.000 1.262 380 Y CB 0.689 39.117 38.460 -0.054 0.000 1.098 380 Y HN 0.625 nan 8.280 nan 0.000 0.506 381 S N 7.289 123.105 115.700 0.192 0.000 2.593 381 S HA -0.034 4.436 4.470 -0.000 0.000 0.303 381 S C -2.477 172.282 174.600 0.265 0.000 1.267 381 S CA -0.693 57.585 58.200 0.130 0.000 1.047 381 S CB 0.187 63.373 63.200 -0.023 0.000 0.777 381 S HN 0.517 nan 8.310 nan 0.000 0.498 382 P HA 0.055 nan 4.420 nan 0.000 0.253 382 P C -0.506 176.903 177.300 0.182 0.000 1.170 382 P CA 0.631 63.822 63.100 0.151 0.000 0.806 382 P CB -0.055 31.704 31.700 0.099 0.000 0.775 383 H N 2.256 121.295 119.070 -0.051 0.000 2.812 383 H HA 0.755 5.311 4.556 -0.000 0.000 0.355 383 H C -0.646 174.695 175.328 0.023 0.000 1.207 383 H CA -0.957 55.005 56.048 -0.142 0.000 1.217 383 H CB 1.178 30.814 29.762 -0.209 0.000 1.874 383 H HN 0.473 nan 8.280 nan 0.000 0.581 384 W N -0.190 121.098 121.300 -0.019 0.000 3.074 384 W HA 0.528 5.188 4.660 -0.000 0.000 0.332 384 W C -2.181 174.348 176.519 0.016 0.000 1.253 384 W CA -0.947 56.360 57.345 -0.064 0.000 1.180 384 W CB 0.436 29.875 29.460 -0.035 0.000 1.445 384 W HN 0.460 nan 8.180 nan 0.000 0.573 385 N N 1.913 120.808 118.700 0.325 0.000 2.446 385 N HA 0.400 5.140 4.740 -0.000 0.000 0.265 385 N C 0.333 176.008 175.510 0.275 0.000 0.975 385 N CA -0.564 52.613 53.050 0.211 0.000 0.928 385 N CB 1.784 40.337 38.487 0.111 0.000 1.160 385 N HN 0.320 nan 8.380 nan 0.000 0.495 386 L N 1.937 123.314 121.223 0.256 0.000 1.937 386 L HA -0.077 4.263 4.340 -0.000 0.000 0.213 386 L C 1.074 177.982 176.870 0.063 0.000 1.077 386 L CA 1.456 56.412 54.840 0.193 0.000 0.758 386 L CB -0.574 41.579 42.059 0.156 0.000 0.888 386 L HN 0.716 nan 8.230 nan 0.000 0.433 387 N N -0.242 118.441 118.700 -0.028 0.000 3.025 387 N HA 0.548 5.288 4.740 -0.000 0.000 0.315 387 N C -0.557 174.919 175.510 -0.056 0.000 1.511 387 N CA 0.085 53.090 53.050 -0.075 0.000 1.097 387 N CB 0.602 38.968 38.487 -0.203 0.000 1.395 387 N HN 0.269 nan 8.380 nan 0.000 0.511 388 A N 0.832 123.660 122.820 0.012 0.000 2.596 388 A HA 0.266 4.586 4.320 -0.000 0.000 0.305 388 A C -1.550 176.053 177.584 0.031 0.000 1.032 388 A CA -0.964 51.101 52.037 0.046 0.000 0.776 388 A CB 0.824 19.858 19.000 0.057 0.000 1.253 388 A HN 0.324 nan 8.150 nan 0.000 0.402 389 N N 0.486 119.197 118.700 0.018 0.000 2.463 389 N HA 0.749 5.489 4.740 -0.000 0.000 0.270 389 N C -0.272 175.238 175.510 -0.000 0.000 1.205 389 N CA 0.087 53.125 53.050 -0.021 0.000 0.974 389 N CB 1.561 40.021 38.487 -0.046 0.000 1.197 389 N HN 0.618 nan 8.380 nan 0.000 0.504 390 S N -0.360 115.321 115.700 -0.031 0.000 2.569 390 S HA 0.617 5.087 4.470 -0.000 0.000 0.280 390 S C -0.887 173.675 174.600 -0.063 0.000 1.111 390 S CA -0.796 57.396 58.200 -0.012 0.000 0.887 390 S CB 1.787 64.987 63.200 0.001 0.000 1.095 390 S HN 0.366 nan 8.310 nan 0.000 0.476 391 V N 0.331 120.213 119.914 -0.054 0.000 2.462 391 V HA 0.616 4.736 4.120 -0.000 0.000 0.288 391 V C -0.739 175.228 176.094 -0.211 0.000 1.020 391 V CA -0.651 61.567 62.300 -0.137 0.000 0.857 391 V CB 0.567 32.329 31.823 -0.103 0.000 1.013 391 V HN 0.830 nan 8.190 nan 0.000 0.431 392 I N 5.148 125.579 120.570 -0.231 0.000 2.472 392 I HA 0.438 4.608 4.170 -0.000 0.000 0.290 392 I C -0.781 175.185 176.117 -0.252 0.000 1.016 392 I CA -0.534 60.628 61.300 -0.230 0.000 1.348 392 I CB 1.478 39.311 38.000 -0.278 0.000 1.417 392 I HN 0.793 nan 8.210 nan 0.000 0.521 393 Y N 6.462 126.538 120.300 -0.374 0.000 2.326 393 Y HA 0.432 4.982 4.550 0.000 0.000 0.329 393 Y C -0.434 175.377 175.900 -0.149 0.000 0.973 393 Y CA -1.252 56.651 58.100 -0.328 0.000 1.162 393 Y CB 1.306 39.493 38.460 -0.455 0.000 1.147 393 Y HN 0.283 nan 8.280 nan 0.000 0.456 394 V N 4.655 124.181 119.914 -0.647 0.000 2.397 394 V HA 0.208 4.328 4.120 -0.000 0.000 0.262 394 V C 0.947 176.653 176.094 -0.647 0.000 1.047 394 V CA 0.498 62.532 62.300 -0.444 0.000 1.003 394 V CB -0.069 31.590 31.823 -0.273 0.000 1.037 394 V HN 0.965 nan 8.190 nan 0.000 0.480 395 T N 1.868 116.229 114.554 -0.322 0.000 2.739 395 T HA 0.053 4.403 4.350 -0.000 0.000 0.249 395 T C 1.025 175.719 174.700 -0.009 0.000 1.050 395 T CA 0.520 62.547 62.100 -0.122 0.000 1.165 395 T CB 0.090 69.026 68.868 0.114 0.000 0.872 395 T HN 0.612 nan 8.240 nan 0.000 0.411 396 R N 1.947 122.483 120.500 0.059 0.000 2.473 396 R HA 0.596 4.936 4.340 -0.000 0.000 0.303 396 R C -0.287 176.056 176.300 0.073 0.000 1.002 396 R CA 0.340 56.482 56.100 0.070 0.000 0.884 396 R CB 0.960 31.319 30.300 0.098 0.000 1.173 396 R HN 0.893 nan 8.270 nan 0.000 0.464 397 G N 2.513 111.343 108.800 0.050 0.000 2.346 397 G HA2 0.063 4.023 3.960 -0.000 0.000 0.294 397 G HA3 0.063 4.023 3.960 -0.000 0.000 0.294 397 G C -1.887 173.037 174.900 0.040 0.000 1.294 397 G CA -0.612 44.523 45.100 0.058 0.000 0.962 397 G HN 0.514 nan 8.290 nan 0.000 0.508 398 K N -0.396 120.034 120.400 0.049 0.000 2.571 398 K HA 0.648 4.968 4.320 -0.000 0.000 0.252 398 K C -0.306 176.322 176.600 0.047 0.000 0.956 398 K CA 0.004 56.312 56.287 0.036 0.000 0.822 398 K CB 1.428 33.946 32.500 0.029 0.000 1.286 398 K HN 1.886 nan 8.250 nan 0.000 0.439 399 G N 1.984 110.808 108.800 0.040 0.000 2.663 399 G HA2 0.469 4.429 3.960 -0.000 0.000 0.299 399 G HA3 0.469 4.429 3.960 -0.000 0.000 0.299 399 G C -1.911 173.012 174.900 0.038 0.000 1.372 399 G CA -0.870 44.258 45.100 0.048 0.000 0.781 399 G HN 0.490 nan 8.290 nan 0.000 0.491 400 R N -0.846 119.679 120.500 0.043 0.000 2.404 400 R HA 0.701 5.041 4.340 -0.000 0.000 0.291 400 R C -0.983 175.350 176.300 0.054 0.000 1.025 400 R CA -0.244 55.878 56.100 0.036 0.000 0.991 400 R CB 1.343 31.659 30.300 0.026 0.000 1.053 400 R HN 0.392 nan 8.270 nan 0.000 0.479 401 V N 5.070 125.034 119.914 0.083 0.000 2.733 401 V HA 0.555 4.675 4.120 -0.000 0.000 0.306 401 V C -0.655 175.546 176.094 0.178 0.000 1.084 401 V CA -0.862 61.515 62.300 0.128 0.000 0.905 401 V CB 2.150 34.068 31.823 0.158 0.000 1.010 401 V HN 0.757 nan 8.190 nan 0.000 0.424 402 R N 2.813 123.388 120.500 0.124 0.000 2.621 402 R HA 0.867 5.207 4.340 -0.000 0.000 0.292 402 R C -1.674 174.686 176.300 0.101 0.000 0.969 402 R CA -0.755 55.413 56.100 0.113 0.000 0.887 402 R CB 2.669 32.993 30.300 0.041 0.000 1.180 402 R HN 0.475 nan 8.270 nan 0.000 0.450 403 V N 3.127 123.125 119.914 0.141 0.000 2.638 403 V HA 0.465 4.585 4.120 -0.000 0.000 0.306 403 V C -0.540 175.578 176.094 0.041 0.000 1.052 403 V CA -0.818 61.542 62.300 0.101 0.000 0.885 403 V CB 2.189 34.111 31.823 0.166 0.000 0.999 403 V HN 0.457 nan 8.190 nan 0.000 0.424 404 V N 4.239 124.119 119.914 -0.056 0.000 2.604 404 V HA 0.522 4.642 4.120 -0.000 0.000 0.305 404 V C -0.158 175.649 176.094 -0.478 0.000 1.043 404 V CA -0.838 61.351 62.300 -0.184 0.000 0.888 404 V CB 2.121 33.870 31.823 -0.123 0.000 0.995 404 V HN 1.086 nan 8.190 nan 0.000 0.429 408 G N 1.356 110.090 108.800 -0.110 0.000 2.361 408 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.294 408 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.294 408 G C -0.252 174.597 174.900 -0.084 0.000 1.004 408 G CA 0.909 45.954 45.100 -0.091 0.000 0.870 408 G HN 0.485 nan 8.290 nan 0.000 0.510 409 N N -0.031 118.604 118.700 -0.107 0.000 2.530 409 N HA 0.505 5.245 4.740 -0.000 0.000 0.277 409 N C 0.619 176.084 175.510 -0.075 0.000 1.168 409 N CA -0.006 52.996 53.050 -0.080 0.000 0.979 409 N CB 0.915 39.357 38.487 -0.074 0.000 1.141 409 N HN 0.309 nan 8.380 nan 0.000 0.459 410 A N 1.917 124.711 122.820 -0.043 0.000 3.118 410 A HA 0.123 4.443 4.320 -0.000 0.000 0.256 410 A C 1.544 179.134 177.584 0.010 0.000 1.667 410 A CA -0.587 51.436 52.037 -0.023 0.000 1.338 410 A CB -1.068 17.912 19.000 -0.033 0.000 1.127 410 A HN 0.693 nan 8.150 nan 0.000 0.634 411 V N -1.890 118.043 119.914 0.031 0.000 2.495 411 V HA -0.175 3.945 4.120 -0.000 0.000 0.260 411 V C 0.614 176.825 176.094 0.195 0.000 1.097 411 V CA 2.014 64.378 62.300 0.107 0.000 1.105 411 V CB -1.068 30.857 31.823 0.170 0.000 0.678 411 V HN 0.879 nan 8.190 nan 0.000 0.469 412 F N 0.575 120.528 119.950 0.004 0.000 3.152 412 F HA 0.550 5.077 4.527 0.000 0.000 0.367 412 F C -1.198 174.590 175.800 -0.019 0.000 1.272 412 F CA -1.089 56.908 58.000 -0.006 0.000 1.172 412 F CB 1.204 40.202 39.000 -0.004 0.000 1.552 412 F HN 0.034 nan 8.300 nan 0.000 0.616 413 D N 4.531 124.696 120.400 -0.393 0.000 2.420 413 D HA 0.613 5.253 4.640 -0.000 0.000 0.255 413 D C -0.218 175.815 176.300 -0.445 0.000 1.185 413 D CA 0.213 54.044 54.000 -0.282 0.000 0.904 413 D CB 1.374 42.091 40.800 -0.138 0.000 1.102 413 D HN 0.846 nan 8.370 nan 0.000 0.534 414 G N 1.891 110.384 108.800 -0.512 0.000 2.570 414 G HA2 0.239 4.199 3.960 -0.000 0.000 0.310 414 G HA3 0.239 4.199 3.960 -0.000 0.000 0.310 414 G C -1.040 173.772 174.900 -0.146 0.000 1.266 414 G CA -0.505 44.365 45.100 -0.383 0.000 0.825 414 G HN 0.147 nan 8.290 nan 0.000 0.483 415 E N -0.441 119.712 120.200 -0.078 0.000 2.242 415 E HA 0.600 4.950 4.350 -0.000 0.000 0.275 415 E C -1.263 175.391 176.600 0.091 0.000 1.002 415 E CA -0.539 55.870 56.400 0.015 0.000 0.841 415 E CB 2.429 32.129 29.700 -0.000 0.000 1.109 415 E HN 0.346 nan 8.360 nan 0.000 0.394 416 L N 3.145 124.411 121.223 0.073 0.000 2.470 416 L HA 0.421 4.761 4.340 -0.000 0.000 0.268 416 L C -1.051 175.816 176.870 -0.005 0.000 0.964 416 L CA -0.324 54.544 54.840 0.047 0.000 0.839 416 L CB 1.199 43.262 42.059 0.007 0.000 1.276 416 L HN 0.571 nan 8.230 nan 0.000 0.403 417 R N 3.254 123.747 120.500 -0.013 0.000 2.774 417 R HA 0.674 5.014 4.340 -0.000 0.000 0.272 417 R C -0.992 175.276 176.300 -0.053 0.000 1.000 417 R CA -1.149 54.938 56.100 -0.022 0.000 0.906 417 R CB 1.133 31.437 30.300 0.006 0.000 1.227 417 R HN 0.724 nan 8.270 nan 0.000 0.468 418 R N 0.407 120.867 120.500 -0.066 0.000 2.627 418 R HA -0.130 4.210 4.340 -0.000 0.000 0.251 418 R C 0.645 176.901 176.300 -0.073 0.000 0.897 418 R CA 1.452 57.489 56.100 -0.105 0.000 1.053 418 R CB -0.662 29.622 30.300 -0.027 0.000 0.878 418 R HN 1.094 nan 8.270 nan 0.000 0.420 419 G N 1.559 110.278 108.800 -0.136 0.000 2.498 419 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.229 419 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.229 419 G C 0.072 175.128 174.900 0.260 0.000 1.156 419 G CA 0.476 45.664 45.100 0.146 0.000 0.680 419 G HN 0.771 nan 8.290 nan 0.000 0.512 420 Q N 0.054 119.902 119.800 0.079 0.000 2.474 420 Q HA 0.571 4.911 4.340 -0.000 0.000 0.256 420 Q C -0.393 175.605 176.000 -0.003 0.000 1.048 420 Q CA 0.136 55.998 55.803 0.097 0.000 0.922 420 Q CB 1.343 30.096 28.738 0.024 0.000 1.288 420 Q HN 0.508 nan 8.270 nan 0.000 0.484 421 L N 1.915 123.094 121.223 -0.073 0.000 2.401 421 L HA 0.571 4.911 4.340 -0.000 0.000 0.266 421 L C -1.948 174.742 176.870 -0.300 0.000 0.991 421 L CA -0.719 53.962 54.840 -0.266 0.000 0.818 421 L CB 1.953 43.641 42.059 -0.618 0.000 1.321 421 L HN 0.512 nan 8.230 nan 0.000 0.413 422 L N 4.979 125.997 121.223 -0.342 0.000 2.438 422 L HA 0.686 5.026 4.340 -0.000 0.000 0.270 422 L C -1.167 175.496 176.870 -0.345 0.000 0.972 422 L CA -0.367 54.224 54.840 -0.414 0.000 0.831 422 L CB 2.173 43.908 42.059 -0.541 0.000 1.273 422 L HN 0.394 nan 8.230 nan 0.000 0.405 423 V N 4.926 124.650 119.914 -0.317 0.000 2.686 423 V HA 0.517 4.637 4.120 -0.000 0.000 0.295 423 V C -0.352 175.602 176.094 -0.232 0.000 1.057 423 V CA -0.597 61.558 62.300 -0.241 0.000 1.012 423 V CB 1.654 33.354 31.823 -0.205 0.000 1.006 423 V HN 0.502 nan 8.190 nan 0.000 0.477 424 V N 4.796 124.595 119.914 -0.192 0.000 2.380 424 V HA 0.282 4.402 4.120 -0.000 0.000 0.272 424 V C -2.559 173.398 176.094 -0.228 0.000 1.011 424 V CA -1.701 60.500 62.300 -0.165 0.000 0.826 424 V CB 1.315 33.076 31.823 -0.104 0.000 1.040 424 V HN 0.755 nan 8.190 nan 0.000 0.441 425 P HA -0.003 nan 4.420 nan 0.000 0.248 425 P C 0.857 177.906 177.300 -0.417 0.000 1.254 425 P CA 0.837 63.491 63.100 -0.744 0.000 1.252 425 P CB 0.162 30.740 31.700 -1.869 0.000 1.465 426 Q N 3.605 123.304 119.800 -0.168 0.000 2.638 426 Q HA -0.460 3.880 4.340 -0.000 0.000 0.465 426 Q C 0.990 177.043 176.000 0.089 0.000 0.502 426 Q CA 2.605 58.396 55.803 -0.020 0.000 1.006 426 Q CB -1.274 27.454 28.738 -0.017 0.000 1.947 426 Q HN 0.427 nan 8.270 nan 0.000 1.085 427 N N -0.212 118.557 118.700 0.114 0.000 2.635 427 N HA -0.023 4.717 4.740 -0.000 0.000 0.191 427 N C -0.192 175.433 175.510 0.191 0.000 1.155 427 N CA -0.217 52.896 53.050 0.105 0.000 0.927 427 N CB -0.269 38.211 38.487 -0.012 0.000 0.976 427 N HN 0.133 nan 8.380 nan 0.000 0.448 428 F N 1.173 121.103 119.950 -0.034 0.000 2.607 428 F HA -0.020 4.507 4.527 0.000 0.000 0.374 428 F C 0.700 176.491 175.800 -0.014 0.000 1.104 428 F CA -0.794 57.182 58.000 -0.041 0.000 1.296 428 F CB 0.567 39.541 39.000 -0.043 0.000 1.085 428 F HN -0.246 nan 8.300 nan 0.000 0.584 429 V N 5.353 125.313 119.914 0.077 0.000 2.465 429 V HA 0.360 4.480 4.120 -0.000 0.000 0.279 429 V C -0.147 175.928 176.094 -0.031 0.000 1.045 429 V CA -0.483 61.857 62.300 0.065 0.000 0.938 429 V CB 1.395 33.253 31.823 0.058 0.000 0.986 429 V HN 0.515 nan 8.190 nan 0.000 0.467 430 V N 3.944 123.740 119.914 -0.198 0.000 2.925 430 V HA 0.995 5.115 4.120 -0.000 0.000 0.311 430 V C -0.485 175.398 176.094 -0.351 0.000 1.104 430 V CA -0.065 62.077 62.300 -0.262 0.000 0.954 430 V CB 2.219 33.861 31.823 -0.301 0.000 1.022 430 V HN 1.198 nan 8.190 nan 0.000 0.427 431 A N 4.378 127.144 122.820 -0.091 0.000 2.520 431 A HA 0.974 5.294 4.320 -0.000 0.000 0.298 431 A C -1.449 176.190 177.584 0.092 0.000 1.051 431 A CA -0.613 51.463 52.037 0.065 0.000 0.690 431 A CB 2.050 21.096 19.000 0.077 0.000 1.281 431 A HN 0.852 nan 8.150 nan 0.000 0.402 432 E N 0.279 120.578 120.200 0.165 0.000 2.408 432 E HA 0.647 4.997 4.350 -0.000 0.000 0.275 432 E C -0.983 175.714 176.600 0.162 0.000 0.935 432 E CA -0.624 55.859 56.400 0.138 0.000 0.775 432 E CB 1.931 31.698 29.700 0.111 0.000 1.277 432 E HN 0.609 nan 8.360 nan 0.000 0.455 433 Q N 0.709 120.580 119.800 0.119 0.000 2.285 433 Q HA 0.559 4.899 4.340 -0.000 0.000 0.269 433 Q C -0.642 175.419 176.000 0.102 0.000 1.030 433 Q CA -0.875 54.991 55.803 0.106 0.000 0.788 433 Q CB 1.611 30.393 28.738 0.073 0.000 1.266 433 Q HN 0.775 nan 8.270 nan 0.000 0.438 434 G N 2.075 110.946 108.800 0.118 0.000 2.305 434 G HA2 0.314 4.274 3.960 -0.000 0.000 0.243 434 G HA3 0.314 4.274 3.960 -0.000 0.000 0.243 434 G C 0.449 175.400 174.900 0.085 0.000 1.288 434 G CA 0.297 45.467 45.100 0.118 0.000 0.901 434 G HN 0.701 nan 8.290 nan 0.000 0.516 435 G N 0.642 109.486 108.800 0.073 0.000 2.583 435 G HA2 0.185 4.145 3.960 -0.000 0.000 0.275 435 G HA3 0.185 4.145 3.960 -0.000 0.000 0.275 435 G C 0.968 175.897 174.900 0.049 0.000 1.342 435 G CA -0.203 44.928 45.100 0.052 0.000 1.030 435 G HN 0.525 nan 8.290 nan 0.000 0.520 436 E N -0.628 119.593 120.200 0.036 0.000 2.153 436 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 436 E C 2.554 179.172 176.600 0.030 0.000 0.988 436 E CA 0.978 57.396 56.400 0.030 0.000 0.811 436 E CB 0.095 29.808 29.700 0.021 0.000 0.746 436 E HN 0.451 nan 8.360 nan 0.000 0.466 437 Q N -0.833 118.987 119.800 0.033 0.000 2.302 437 Q HA 0.172 4.512 4.340 -0.000 0.000 0.202 437 Q C 1.145 177.172 176.000 0.044 0.000 0.936 437 Q CA 0.852 56.674 55.803 0.032 0.000 0.886 437 Q CB 0.816 29.572 28.738 0.031 0.000 0.986 437 Q HN 0.231 nan 8.270 nan 0.000 0.487 438 G N 0.686 109.523 108.800 0.062 0.000 2.373 438 G HA2 0.098 4.058 3.960 -0.000 0.000 0.634 438 G HA3 0.098 4.058 3.960 -0.000 0.000 0.634 438 G C -2.081 172.883 174.900 0.107 0.000 1.267 438 G CA -0.452 44.703 45.100 0.092 0.000 1.008 438 G HN 0.147 nan 8.290 nan 0.000 0.497 439 L N -0.263 121.048 121.223 0.146 0.000 2.751 439 L HA 0.794 5.134 4.340 -0.000 0.000 0.261 439 L C -0.922 176.087 176.870 0.232 0.000 0.927 439 L CA -0.316 54.631 54.840 0.179 0.000 0.968 439 L CB 1.833 44.005 42.059 0.189 0.000 1.432 439 L HN 1.022 nan 8.230 nan 0.000 0.439 440 E N 3.736 124.072 120.200 0.227 0.000 2.256 440 E HA 0.665 5.015 4.350 -0.000 0.000 0.268 440 E C -1.902 174.822 176.600 0.207 0.000 0.877 440 E CA -0.510 56.010 56.400 0.200 0.000 0.757 440 E CB 1.771 31.603 29.700 0.220 0.000 1.183 440 E HN 0.538 nan 8.360 nan 0.000 0.418 441 Y N 0.582 120.871 120.300 -0.018 0.000 2.728 441 Y HA 0.741 5.291 4.550 -0.000 0.000 0.330 441 Y C -1.767 173.846 175.900 -0.478 0.000 1.234 441 Y CA -1.178 56.784 58.100 -0.231 0.000 1.070 441 Y CB 0.941 39.294 38.460 -0.179 0.000 1.300 441 Y HN 0.223 nan 8.280 nan 0.000 0.467 442 V N 1.446 121.167 119.914 -0.321 0.000 2.735 442 V HA 0.820 4.940 4.120 -0.000 0.000 0.310 442 V C -1.601 174.370 176.094 -0.205 0.000 1.061 442 V CA -0.853 61.187 62.300 -0.434 0.000 0.913 442 V CB 1.949 33.470 31.823 -0.503 0.000 1.005 442 V HN 0.778 nan 8.190 nan 0.000 0.428 443 V N 6.674 126.539 119.914 -0.081 0.000 2.487 443 V HA 0.522 4.642 4.120 -0.000 0.000 0.298 443 V C -0.558 175.626 176.094 0.150 0.000 1.028 443 V CA -0.427 61.861 62.300 -0.020 0.000 0.860 443 V CB 1.622 33.524 31.823 0.133 0.000 0.991 443 V HN 0.738 nan 8.190 nan 0.000 0.427 444 F N 3.863 123.824 119.950 0.019 0.000 2.361 444 F HA 0.515 5.042 4.527 0.000 0.000 0.364 444 F C 0.612 176.416 175.800 0.007 0.000 1.120 444 F CA -0.834 57.169 58.000 0.004 0.000 1.102 444 F CB 1.173 40.154 39.000 -0.031 0.000 1.183 444 F HN 0.339 nan 8.300 nan 0.000 0.476 445 K N 1.203 121.732 120.400 0.214 0.000 2.156 445 K HA 0.306 4.626 4.320 -0.000 0.000 0.254 445 K C 0.101 176.770 176.600 0.114 0.000 0.950 445 K CA -0.800 55.568 56.287 0.135 0.000 0.849 445 K CB 1.843 34.416 32.500 0.121 0.000 1.100 445 K HN 0.495 nan 8.250 nan 0.000 0.434 446 T N -0.151 114.460 114.554 0.096 0.000 3.855 446 T HA 0.135 4.485 4.350 -0.000 0.000 0.306 446 T C -0.360 174.423 174.700 0.139 0.000 1.575 446 T CA -0.438 61.715 62.100 0.089 0.000 1.214 446 T CB -0.500 68.402 68.868 0.056 0.000 1.262 446 T HN 0.575 nan 8.240 nan 0.000 0.883 447 H N 1.434 120.514 119.070 0.015 0.000 3.143 447 H HA 0.071 4.627 4.556 0.000 0.000 0.303 447 H C 0.555 175.843 175.328 -0.067 0.000 1.109 447 H CA -0.486 55.537 56.048 -0.043 0.000 1.494 447 H CB 0.813 30.517 29.762 -0.097 0.000 2.132 447 H HN 0.649 nan 8.280 nan 0.000 0.433 448 H N 3.394 122.430 119.070 -0.057 0.000 2.431 448 H HA -0.118 4.438 4.556 -0.000 0.000 0.297 448 H C 0.310 175.750 175.328 0.187 0.000 1.115 448 H CA 2.028 58.102 56.048 0.044 0.000 1.277 448 H CB 0.230 29.958 29.762 -0.057 0.000 1.372 448 H HN 0.305 nan 8.280 nan 0.000 0.516 449 N N 0.253 118.901 118.700 -0.087 0.000 2.679 449 N HA 0.320 5.060 4.740 -0.000 0.000 0.302 449 N C -1.165 174.293 175.510 -0.087 0.000 1.941 449 N CA 0.221 53.277 53.050 0.009 0.000 0.875 449 N CB 0.337 38.822 38.487 -0.003 0.000 1.278 449 N HN 0.625 nan 8.380 nan 0.000 0.490 450 A N 0.602 123.406 122.820 -0.027 0.000 2.520 450 A HA 0.419 4.739 4.320 -0.000 0.000 0.245 450 A C 0.435 177.967 177.584 -0.085 0.000 1.072 450 A CA -0.144 51.814 52.037 -0.133 0.000 0.761 450 A CB -0.059 18.946 19.000 0.009 0.000 1.004 450 A HN 0.449 nan 8.150 nan 0.000 0.499 451 V N 1.051 120.897 119.914 -0.114 0.000 2.881 451 V HA 0.967 5.087 4.120 -0.000 0.000 0.316 451 V C 0.016 176.098 176.094 -0.020 0.000 1.070 451 V CA 0.060 62.331 62.300 -0.049 0.000 0.976 451 V CB 1.429 33.218 31.823 -0.057 0.000 1.038 451 V HN 1.575 nan 8.190 nan 0.000 0.446 452 S N 1.094 116.778 115.700 -0.027 0.000 2.656 452 S HA 0.866 5.336 4.470 -0.000 0.000 0.273 452 S C -0.647 173.820 174.600 -0.223 0.000 1.168 452 S CA -0.255 57.877 58.200 -0.112 0.000 0.817 452 S CB 1.616 64.813 63.200 -0.005 0.000 1.146 452 S HN 1.904 nan 8.310 nan 0.000 0.475 453 S N 0.271 115.635 115.700 -0.559 0.000 2.543 453 S HA 0.578 5.048 4.470 -0.000 0.000 0.273 453 S C -1.830 172.272 174.600 -0.830 0.000 1.152 453 S CA -0.911 56.915 58.200 -0.622 0.000 0.910 453 S CB 0.575 63.401 63.200 -0.623 0.000 1.105 453 S HN 0.990 nan 8.310 nan 0.000 0.465 454 Y N 3.309 123.331 120.300 -0.463 0.000 2.308 454 Y HA 0.593 5.143 4.550 -0.000 0.000 0.329 454 Y C 1.420 177.111 175.900 -0.348 0.000 1.111 454 Y CA -1.054 56.837 58.100 -0.347 0.000 1.179 454 Y CB 0.095 38.448 38.460 -0.178 0.000 1.201 454 Y HN 0.571 nan 8.280 nan 0.000 0.483 455 I N 1.702 122.174 120.570 -0.163 0.000 2.181 455 I HA -0.341 3.829 4.170 -0.000 0.000 0.247 455 I C 2.342 178.096 176.117 -0.604 0.000 1.081 455 I CA 1.801 62.961 61.300 -0.235 0.000 1.340 455 I CB -0.237 37.689 38.000 -0.124 0.000 1.036 455 I HN 0.754 nan 8.210 nan 0.000 0.417 456 K N 0.399 120.596 120.400 -0.338 0.000 2.585 456 K HA -0.225 4.095 4.320 -0.000 0.000 0.194 456 K C 1.252 177.728 176.600 -0.206 0.000 1.037 456 K CA 1.313 57.431 56.287 -0.281 0.000 0.964 456 K CB -0.038 32.498 32.500 0.060 0.000 0.787 456 K HN 0.317 nan 8.250 nan 0.000 0.488 457 D N -1.374 118.741 120.400 -0.475 0.000 2.379 457 D HA -0.035 4.605 4.640 -0.000 0.000 0.218 457 D C 1.527 177.652 176.300 -0.290 0.000 1.006 457 D CA 0.237 53.906 54.000 -0.551 0.000 0.893 457 D CB 0.453 40.485 40.800 -1.281 0.000 1.019 457 D HN -0.092 nan 8.370 nan 0.000 0.503 458 V N 0.641 120.392 119.914 -0.273 0.000 2.392 458 V HA -0.219 3.901 4.120 -0.000 0.000 0.249 458 V C 2.100 178.272 176.094 0.131 0.000 1.059 458 V CA 1.407 63.682 62.300 -0.043 0.000 1.051 458 V CB -0.748 31.113 31.823 0.063 0.000 0.658 458 V HN 0.309 nan 8.190 nan 0.000 0.455 459 F N 0.229 120.183 119.950 0.007 0.000 2.065 459 F HA -0.225 4.302 4.527 0.000 0.000 0.298 459 F C 2.559 178.338 175.800 -0.035 0.000 1.112 459 F CA 1.235 59.237 58.000 0.005 0.000 1.212 459 F CB -0.311 38.682 39.000 -0.012 0.000 0.975 459 F HN 0.034 nan 8.300 nan 0.000 0.476 460 R N 0.191 120.778 120.500 0.144 0.000 2.346 460 R HA 0.023 4.363 4.340 -0.000 0.000 0.199 460 R C 1.514 177.848 176.300 0.057 0.000 1.015 460 R CA 0.500 56.633 56.100 0.056 0.000 1.058 460 R CB -0.209 30.115 30.300 0.040 0.000 0.921 460 R HN 0.252 nan 8.270 nan 0.000 0.475 461 A N 0.646 123.507 122.820 0.068 0.000 2.013 461 A HA 0.225 4.545 4.320 -0.000 0.000 0.204 461 A C 0.934 178.557 177.584 0.066 0.000 1.262 461 A CA -0.075 51.994 52.037 0.054 0.000 0.800 461 A CB 0.480 19.503 19.000 0.037 0.000 0.909 461 A HN 0.053 nan 8.150 nan 0.000 0.472 462 I N 1.550 122.175 120.570 0.091 0.000 2.428 462 I HA 0.246 4.416 4.170 -0.000 0.000 0.289 462 I C -2.439 173.709 176.117 0.051 0.000 1.019 462 I CA -2.140 59.205 61.300 0.073 0.000 1.351 462 I CB 1.159 39.217 38.000 0.097 0.000 1.412 462 I HN 0.022 nan 8.210 nan 0.000 0.513 463 P HA 0.068 nan 4.420 nan 0.000 0.267 463 P C 0.335 177.642 177.300 0.011 0.000 1.200 463 P CA 0.114 63.230 63.100 0.027 0.000 0.772 463 P CB 0.662 32.374 31.700 0.020 0.000 0.855 464 S N 1.568 117.276 115.700 0.014 0.000 2.365 464 S HA -0.228 4.242 4.470 -0.000 0.000 0.221 464 S C 1.502 176.094 174.600 -0.013 0.000 1.037 464 S CA 1.475 59.673 58.200 -0.003 0.000 1.060 464 S CB -0.823 62.390 63.200 0.021 0.000 0.974 464 S HN 0.599 nan 8.310 nan 0.000 0.427 465 E N 0.333 120.530 120.200 -0.005 0.000 2.284 465 E HA -0.143 4.207 4.350 -0.000 0.000 0.200 465 E C 1.901 178.483 176.600 -0.030 0.000 1.008 465 E CA 1.122 57.513 56.400 -0.014 0.000 0.829 465 E CB -0.244 29.451 29.700 -0.007 0.000 0.744 465 E HN 0.324 nan 8.360 nan 0.000 0.491 466 V N 0.444 120.338 119.914 -0.033 0.000 2.649 466 V HA -0.168 3.952 4.120 -0.000 0.000 0.248 466 V C 1.973 178.008 176.094 -0.098 0.000 1.054 466 V CA 0.839 63.105 62.300 -0.056 0.000 1.073 466 V CB -0.166 31.633 31.823 -0.039 0.000 0.699 466 V HN 0.163 nan 8.190 nan 0.000 0.463 467 L N 0.171 121.346 121.223 -0.079 0.000 2.093 467 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 467 L C 2.607 179.424 176.870 -0.089 0.000 1.085 467 L CA 1.723 56.502 54.840 -0.102 0.000 0.755 467 L CB -1.068 40.953 42.059 -0.063 0.000 0.904 467 L HN 0.253 nan 8.230 nan 0.000 0.435 468 S N 0.112 115.779 115.700 -0.056 0.000 2.351 468 S HA -0.196 4.274 4.470 -0.000 0.000 0.220 468 S C 1.649 176.217 174.600 -0.053 0.000 1.035 468 S CA 1.761 59.941 58.200 -0.034 0.000 1.031 468 S CB -0.601 62.584 63.200 -0.025 0.000 0.928 468 S HN 0.480 nan 8.310 nan 0.000 0.433 469 N N 0.945 119.603 118.700 -0.070 0.000 2.573 469 N HA 0.074 4.814 4.740 -0.000 0.000 0.187 469 N C 1.469 176.904 175.510 -0.125 0.000 1.107 469 N CA 0.591 53.596 53.050 -0.076 0.000 0.918 469 N CB -0.059 38.390 38.487 -0.064 0.000 0.966 469 N HN 0.215 nan 8.380 nan 0.000 0.448 470 S N -0.717 114.853 115.700 -0.217 0.000 2.398 470 S HA 0.073 4.543 4.470 -0.000 0.000 0.220 470 S C 0.772 175.132 174.600 -0.400 0.000 1.046 470 S CA 0.480 58.440 58.200 -0.401 0.000 0.953 470 S CB -0.099 62.684 63.200 -0.695 0.000 0.856 470 S HN 0.349 nan 8.310 nan 0.000 0.506 471 Y N 1.624 121.896 120.300 -0.047 0.000 2.458 471 Y HA 0.394 4.944 4.550 -0.000 0.000 0.256 471 Y C 0.422 176.297 175.900 -0.041 0.000 1.159 471 Y CA -0.901 57.172 58.100 -0.045 0.000 1.261 471 Y CB -0.420 37.998 38.460 -0.071 0.000 1.119 471 Y HN 0.114 nan 8.280 nan 0.000 0.524 472 N N 0.837 119.572 118.700 0.058 0.000 2.726 472 N HA -0.154 4.586 4.740 -0.000 0.000 0.253 472 N C -1.649 173.883 175.510 0.036 0.000 1.059 472 N CA 0.457 53.526 53.050 0.031 0.000 0.701 472 N CB -1.250 37.254 38.487 0.027 0.000 0.899 472 N HN 0.138 nan 8.380 nan 0.000 0.548 473 L N 0.064 121.307 121.223 0.034 0.000 2.362 473 L HA 0.667 5.007 4.340 -0.000 0.000 0.271 473 L C 1.509 178.380 176.870 0.001 0.000 1.002 473 L CA -0.507 54.343 54.840 0.016 0.000 0.818 473 L CB 1.550 43.617 42.059 0.014 0.000 1.298 473 L HN 0.198 nan 8.230 nan 0.000 0.420 474 G N 0.760 109.559 108.800 -0.002 0.000 2.683 474 G HA2 0.164 4.124 3.960 -0.000 0.000 0.260 474 G HA3 0.164 4.124 3.960 -0.000 0.000 0.260 474 G C 0.361 175.258 174.900 -0.004 0.000 1.238 474 G CA -0.268 44.831 45.100 -0.002 0.000 0.934 474 G HN 0.603 nan 8.290 nan 0.000 0.534 475 Q N -0.627 119.175 119.800 0.002 0.000 2.451 475 Q HA -0.048 4.292 4.340 -0.000 0.000 0.206 475 Q C 2.680 178.688 176.000 0.015 0.000 0.947 475 Q CA 0.999 56.807 55.803 0.008 0.000 0.937 475 Q CB 0.209 28.957 28.738 0.017 0.000 1.025 475 Q HN 0.641 nan 8.270 nan 0.000 0.511 476 S N -0.548 115.157 115.700 0.010 0.000 2.425 476 S HA -0.078 4.392 4.470 -0.000 0.000 0.225 476 S C 1.763 176.365 174.600 0.004 0.000 1.024 476 S CA 0.430 58.639 58.200 0.015 0.000 0.951 476 S CB -0.005 63.201 63.200 0.011 0.000 0.796 476 S HN 0.312 nan 8.310 nan 0.000 0.498 477 Q N 0.569 120.361 119.800 -0.013 0.000 2.212 477 Q HA 0.132 4.472 4.340 -0.000 0.000 0.199 477 Q C 2.264 178.224 176.000 -0.067 0.000 0.950 477 Q CA 1.011 56.793 55.803 -0.035 0.000 0.863 477 Q CB -0.258 28.457 28.738 -0.038 0.000 0.944 477 Q HN 0.446 nan 8.270 nan 0.000 0.465 478 V N 0.994 120.870 119.914 -0.063 0.000 2.307 478 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 478 V C 2.198 178.221 176.094 -0.118 0.000 1.045 478 V CA 1.686 63.924 62.300 -0.104 0.000 1.024 478 V CB -0.443 31.340 31.823 -0.067 0.000 0.651 478 V HN 0.263 nan 8.190 nan 0.000 0.449 479 R N -0.349 120.130 120.500 -0.034 0.000 2.293 479 R HA -0.206 4.134 4.340 -0.000 0.000 0.219 479 R C 2.132 178.431 176.300 -0.001 0.000 1.091 479 R CA 1.260 57.381 56.100 0.036 0.000 1.004 479 R CB 0.014 30.416 30.300 0.170 0.000 0.865 479 R HN 0.630 nan 8.270 nan 0.000 0.469 480 Q N 0.632 120.410 119.800 -0.038 0.000 1.911 480 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 480 Q C 1.878 177.839 176.000 -0.065 0.000 0.976 480 Q CA 1.505 57.294 55.803 -0.023 0.000 0.845 480 Q CB -0.533 28.191 28.738 -0.024 0.000 0.903 480 Q HN 0.317 nan 8.270 nan 0.000 0.437 481 L N 0.550 121.719 121.223 -0.089 0.000 2.151 481 L HA -0.350 3.990 4.340 -0.000 0.000 0.219 481 L C 2.389 179.254 176.870 -0.009 0.000 1.083 481 L CA 1.918 56.734 54.840 -0.041 0.000 0.782 481 L CB -0.735 41.208 42.059 -0.193 0.000 0.891 481 L HN 0.289 nan 8.230 nan 0.000 0.439 482 K N -0.555 119.725 120.400 -0.200 0.000 1.995 482 K HA -0.118 4.202 4.320 -0.000 0.000 0.217 482 K C 1.887 178.333 176.600 -0.256 0.000 1.030 482 K CA 1.381 57.464 56.287 -0.340 0.000 0.971 482 K CB -0.489 31.477 32.500 -0.891 0.000 0.775 482 K HN 0.061 nan 8.250 nan 0.000 0.446 483 Y N 1.845 122.178 120.300 0.055 0.000 2.651 483 Y HA -0.073 4.477 4.550 -0.000 0.000 0.296 483 Y C 0.556 176.478 175.900 0.037 0.000 1.150 483 Y CA 0.375 58.500 58.100 0.042 0.000 1.348 483 Y CB -0.570 37.907 38.460 0.029 0.000 0.983 483 Y HN 0.052 nan 8.280 nan 0.000 0.555 484 Q N 0.650 120.507 119.800 0.095 0.000 2.257 484 Q HA 0.529 4.869 4.340 -0.000 0.000 0.255 484 Q C 0.730 176.762 176.000 0.055 0.000 0.920 484 Q CA 0.330 56.177 55.803 0.073 0.000 0.927 484 Q CB 1.657 30.425 28.738 0.050 0.000 1.229 484 Q HN 0.471 nan 8.270 nan 0.000 0.433 485 G N 2.719 111.545 108.800 0.043 0.000 2.566 485 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.599 485 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.599 485 G C -0.776 174.136 174.900 0.020 0.000 1.292 485 G CA -0.545 44.569 45.100 0.022 0.000 0.922 485 G HN 0.760 nan 8.290 nan 0.000 0.514 486 N N -1.281 117.412 118.700 -0.011 0.000 2.483 486 N HA 0.552 5.292 4.740 -0.000 0.000 0.285 486 N C 0.139 175.639 175.510 -0.016 0.000 1.210 486 N CA -0.113 52.927 53.050 -0.017 0.000 0.931 486 N CB 1.724 40.178 38.487 -0.055 0.000 1.220 486 N HN 0.547 nan 8.380 nan 0.000 0.542 487 S N -0.833 114.869 115.700 0.003 0.000 3.697 487 S HA 0.382 4.852 4.470 -0.000 0.000 0.207 487 S C 0.163 174.713 174.600 -0.084 0.000 1.459 487 S CA -0.658 57.566 58.200 0.040 0.000 1.122 487 S CB -0.858 62.394 63.200 0.088 0.000 1.311 487 S HN 0.758 nan 8.310 nan 0.000 0.487 488 G N 2.044 110.660 108.800 -0.307 0.000 2.753 488 G HA2 0.496 4.456 3.960 -0.000 0.000 0.297 488 G HA3 0.496 4.456 3.960 -0.000 0.000 0.297 488 G C -2.526 171.765 174.900 -1.015 0.000 1.430 488 G CA -1.335 43.315 45.100 -0.749 0.000 1.040 488 G HN -0.025 nan 8.290 nan 0.000 0.530 489 P HA -0.012 nan 4.420 nan 0.000 0.230 489 P C 0.429 177.333 177.300 -0.660 0.000 1.158 489 P CA 0.311 62.661 63.100 -1.251 0.000 0.769 489 P CB 0.408 31.375 31.700 -1.222 0.000 0.807 490 L N 0.837 121.684 121.223 -0.626 0.000 2.312 490 L HA 0.253 4.593 4.340 -0.000 0.000 0.287 490 L C 0.078 176.777 176.870 -0.286 0.000 1.091 490 L CA -0.583 54.011 54.840 -0.410 0.000 0.846 490 L CB 0.980 42.813 42.059 -0.377 0.000 1.219 490 L HN -0.280 nan 8.230 nan 0.000 0.439 491 V N 3.044 122.839 119.914 -0.198 0.000 2.581 491 V HA 0.388 4.508 4.120 -0.000 0.000 0.303 491 V C -0.215 175.828 176.094 -0.085 0.000 1.041 491 V CA -0.840 61.381 62.300 -0.132 0.000 0.907 491 V CB 2.104 33.870 31.823 -0.095 0.000 0.994 491 V HN 0.790 nan 8.190 nan 0.000 0.442 492 N N 4.340 123.000 118.700 -0.068 0.000 2.479 492 N HA 0.446 5.186 4.740 -0.000 0.000 0.261 492 N C -2.367 173.132 175.510 -0.018 0.000 0.979 492 N CA -1.141 51.889 53.050 -0.035 0.000 0.930 492 N CB 1.733 40.201 38.487 -0.032 0.000 1.172 492 N HN 0.482 nan 8.380 nan 0.000 0.499 493 P HA 0.000 nan 4.420 nan 0.000 0.216 493 P CA 0.000 63.100 63.100 0.000 0.000 0.800 493 P CB 0.000 31.704 31.700 0.007 0.000 0.726