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 1w7v_1_B DATA FIRST_RESID 1 DATA SEQUENCE SEISRQEFQR RRQALVEQMQ PGSAALIFAA PEVTRSADSE YPYRQNSDFW DATA SEQUENCE YFTGFNEPEA VLVLIKSDDT HNHSVLFNRV RDLTAEIWFG RRLGQDAAPE DATA SEQUENCE KLGVDRALAF SEINQQLYQL LNGLDVVYHA QGEYAYADVI VNSALEKLRK DATA SEQUENCE GSRQNLTAPA TMIDWRPVVH EMRLFKSPEE IAVLRRAGEI TAMAHTRAME DATA SEQUENCE KCRPGMFEYH LEGEIHHEFN RHGARYPSYN TIVGSGENGC ILHYTENEXE DATA SEQUENCE MRDGDLVLID AGCEYKGYAG DITRTFPVNG KFTQAQREIY DIVLESLETS DATA SEQUENCE LRLYRPGTSI LEVTGEVVRI MVSGLVKLGI LKGDVDELIA QNAHRPFFMH DATA SEQUENCE GLSHWLGLDV HDVGVYGQDR SRILEPGMVL TVEPGLYIAP DAEVPEQYRG DATA SEQUENCE IGIRIEDDIV ITETGNENLT ASVVKKPEEI EALMVAARK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.694 174.600 0.157 0.000 1.055 1 S CA 0.000 58.309 58.200 0.181 0.000 1.107 1 S CB 0.000 63.266 63.200 0.110 0.000 0.593 2 E N -0.025 120.220 120.200 0.075 0.000 2.433 2 E HA 0.527 4.878 4.350 0.002 0.000 0.278 2 E C -1.588 175.012 176.600 -0.000 0.000 0.976 2 E CA -0.725 55.704 56.400 0.050 0.000 0.793 2 E CB 0.979 30.715 29.700 0.061 0.000 1.311 2 E HN 0.446 nan 8.360 nan 0.000 0.460 3 I N 2.890 123.453 120.570 -0.011 0.000 2.342 3 I HA 0.141 4.312 4.170 0.002 0.000 0.291 3 I C 0.717 176.737 176.117 -0.161 0.000 1.010 3 I CA -0.132 61.059 61.300 -0.181 0.000 1.308 3 I CB 0.514 38.293 38.000 -0.369 0.000 1.400 3 I HN 0.500 nan 8.210 nan 0.000 0.488 4 S N 6.737 122.326 115.700 -0.184 0.000 2.632 4 S HA 0.370 4.841 4.470 0.002 0.000 0.267 4 S C 1.250 175.829 174.600 -0.034 0.000 1.276 4 S CA -0.579 57.576 58.200 -0.074 0.000 0.998 4 S CB 1.450 64.610 63.200 -0.067 0.000 0.953 4 S HN 0.574 nan 8.310 nan 0.000 0.547 5 R N 0.534 121.076 120.500 0.070 0.000 2.103 5 R HA -0.178 4.163 4.340 0.002 0.000 0.242 5 R C 2.385 178.718 176.300 0.054 0.000 1.142 5 R CA 2.160 58.331 56.100 0.118 0.000 0.960 5 R CB -0.605 29.725 30.300 0.050 0.000 0.858 5 R HN 0.699 nan 8.270 nan 0.000 0.439 6 Q N 0.169 119.961 119.800 -0.013 0.000 2.124 6 Q HA -0.188 4.153 4.340 0.002 0.000 0.202 6 Q C 1.890 177.844 176.000 -0.077 0.000 0.977 6 Q CA 1.611 57.392 55.803 -0.036 0.000 0.850 6 Q CB -0.079 28.635 28.738 -0.041 0.000 0.901 6 Q HN 0.364 nan 8.270 nan 0.000 0.429 7 E N -0.278 119.827 120.200 -0.157 0.000 2.051 7 E HA -0.168 4.183 4.350 0.002 0.000 0.192 7 E C 1.226 177.650 176.600 -0.294 0.000 0.991 7 E CA 1.032 57.274 56.400 -0.264 0.000 0.799 7 E CB -0.152 29.306 29.700 -0.403 0.000 0.748 7 E HN 0.302 nan 8.360 nan 0.000 0.449 8 F N 0.704 120.553 119.950 -0.169 0.000 2.161 8 F HA -0.137 4.391 4.527 0.002 0.000 0.300 8 F C 2.548 178.267 175.800 -0.134 0.000 1.089 8 F CA 1.353 59.231 58.000 -0.204 0.000 1.282 8 F CB -0.729 38.143 39.000 -0.213 0.000 1.010 8 F HN 0.145 nan 8.300 nan 0.000 0.485 9 Q N 0.455 120.291 119.800 0.060 0.000 2.079 9 Q HA -0.125 4.217 4.340 0.002 0.000 0.200 9 Q C 2.278 178.275 176.000 -0.006 0.000 0.974 9 Q CA 1.560 57.371 55.803 0.014 0.000 0.840 9 Q CB -0.182 28.554 28.738 -0.003 0.000 0.898 9 Q HN 0.254 nan 8.270 nan 0.000 0.430 10 R N -0.530 119.951 120.500 -0.032 0.000 2.081 10 R HA -0.088 4.253 4.340 0.002 0.000 0.235 10 R C 2.371 178.663 176.300 -0.012 0.000 1.131 10 R CA 1.544 57.624 56.100 -0.035 0.000 0.960 10 R CB -0.183 30.080 30.300 -0.061 0.000 0.856 10 R HN 0.216 nan 8.270 nan 0.000 0.436 11 R N 0.198 120.678 120.500 -0.033 0.000 2.073 11 R HA -0.079 4.262 4.340 0.002 0.000 0.234 11 R C 2.404 178.864 176.300 0.267 0.000 1.134 11 R CA 1.356 57.476 56.100 0.033 0.000 0.952 11 R CB -0.223 29.901 30.300 -0.292 0.000 0.850 11 R HN 0.194 nan 8.270 nan 0.000 0.433 12 R N 0.344 120.970 120.500 0.209 0.000 2.083 12 R HA -0.144 4.198 4.340 0.002 0.000 0.237 12 R C 2.329 178.604 176.300 -0.041 0.000 1.137 12 R CA 1.241 57.358 56.100 0.028 0.000 0.951 12 R CB -0.218 30.056 30.300 -0.043 0.000 0.851 12 R HN 0.252 nan 8.270 nan 0.000 0.434 13 Q N 0.098 119.890 119.800 -0.013 0.000 2.170 13 Q HA -0.054 4.287 4.340 0.002 0.000 0.203 13 Q C 2.101 178.093 176.000 -0.014 0.000 0.976 13 Q CA 1.576 57.364 55.803 -0.025 0.000 0.858 13 Q CB -0.267 28.460 28.738 -0.018 0.000 0.907 13 Q HN 0.351 nan 8.270 nan 0.000 0.433 14 A N 0.626 123.460 122.820 0.023 0.000 1.969 14 A HA -0.142 4.179 4.320 0.002 0.000 0.218 14 A C 2.088 179.692 177.584 0.032 0.000 1.169 14 A CA 1.121 53.180 52.037 0.037 0.000 0.635 14 A CB -0.473 18.570 19.000 0.073 0.000 0.810 14 A HN 0.321 nan 8.150 nan 0.000 0.445 15 L N -0.157 121.084 121.223 0.031 0.000 2.027 15 L HA -0.058 4.283 4.340 0.002 0.000 0.206 15 L C 2.377 179.156 176.870 -0.152 0.000 1.074 15 L CA 1.817 56.616 54.840 -0.068 0.000 0.745 15 L CB -0.643 41.283 42.059 -0.222 0.000 0.898 15 L HN 0.138 nan 8.230 nan 0.000 0.433 16 V N 0.050 119.875 119.914 -0.149 0.000 2.392 16 V HA -0.264 3.857 4.120 0.002 0.000 0.249 16 V C 2.699 178.739 176.094 -0.089 0.000 1.059 16 V CA 1.887 64.104 62.300 -0.138 0.000 1.051 16 V CB -0.788 30.968 31.823 -0.111 0.000 0.658 16 V HN 0.549 nan 8.190 nan 0.000 0.455 17 E N 0.216 120.381 120.200 -0.059 0.000 2.160 17 E HA -0.257 4.094 4.350 0.002 0.000 0.195 17 E C 2.135 178.715 176.600 -0.035 0.000 0.991 17 E CA 1.512 57.890 56.400 -0.036 0.000 0.810 17 E CB -0.040 29.646 29.700 -0.023 0.000 0.742 17 E HN 0.720 nan 8.360 nan 0.000 0.466 18 Q N -0.685 119.085 119.800 -0.051 0.000 2.424 18 Q HA 0.120 4.461 4.340 0.002 0.000 0.204 18 Q C 0.529 176.493 176.000 -0.060 0.000 0.933 18 Q CA -0.056 55.724 55.803 -0.040 0.000 0.929 18 Q CB 0.315 29.035 28.738 -0.029 0.000 1.037 18 Q HN 0.239 nan 8.270 nan 0.000 0.511 19 M N 1.138 120.664 119.600 -0.123 0.000 2.242 19 M HA 0.078 4.559 4.480 0.002 0.000 0.344 19 M C 0.063 176.403 176.300 0.066 0.000 1.140 19 M CA 0.108 55.334 55.300 -0.123 0.000 1.160 19 M CB 0.862 33.319 32.600 -0.238 0.000 1.491 19 M HN 0.022 nan 8.290 nan 0.000 0.459 20 Q N 3.288 123.216 119.800 0.215 0.000 2.392 20 Q HA 0.181 4.522 4.340 0.002 0.000 0.262 20 Q C -2.099 173.969 176.000 0.114 0.000 1.003 20 Q CA -1.506 54.388 55.803 0.152 0.000 0.888 20 Q CB 0.025 28.860 28.738 0.161 0.000 1.260 20 Q HN 0.312 nan 8.270 nan 0.000 0.435 21 P HA -0.034 nan 4.420 nan 0.000 0.272 21 P C 0.014 177.352 177.300 0.064 0.000 1.223 21 P CA 0.363 63.495 63.100 0.054 0.000 0.784 21 P CB 0.404 32.122 31.700 0.031 0.000 0.923 22 G N 0.629 109.467 108.800 0.062 0.000 2.298 22 G HA2 -0.086 3.876 3.960 0.002 0.000 0.287 22 G HA3 -0.086 3.876 3.960 0.002 0.000 0.287 22 G C 0.006 174.952 174.900 0.077 0.000 1.075 22 G CA 0.302 45.440 45.100 0.063 0.000 0.960 22 G HN 0.922 nan 8.290 nan 0.000 0.502 23 S N -1.523 114.237 115.700 0.100 0.000 2.618 23 S HA 0.986 5.457 4.470 0.002 0.000 0.277 23 S C -0.324 174.355 174.600 0.132 0.000 1.138 23 S CA 0.086 58.376 58.200 0.149 0.000 0.844 23 S CB 2.585 65.966 63.200 0.301 0.000 1.127 23 S HN 2.033 nan 8.310 nan 0.000 0.474 24 A N 0.442 123.366 122.820 0.173 0.000 2.422 24 A HA 0.918 5.239 4.320 0.002 0.000 0.302 24 A C -0.369 177.354 177.584 0.232 0.000 1.041 24 A CA -0.552 51.559 52.037 0.124 0.000 0.708 24 A CB 1.333 20.378 19.000 0.074 0.000 1.257 24 A HN 1.792 nan 8.150 nan 0.000 0.414 25 A N 2.149 125.040 122.820 0.119 0.000 2.304 25 A HA 0.728 5.049 4.320 0.002 0.000 0.323 25 A C -0.761 176.875 177.584 0.086 0.000 1.195 25 A CA -0.379 51.742 52.037 0.140 0.000 0.826 25 A CB 0.366 19.285 19.000 -0.135 0.000 1.184 25 A HN 0.827 nan 8.150 nan 0.000 0.496 26 L N 3.364 124.754 121.223 0.277 0.000 2.305 26 L HA 0.544 4.885 4.340 0.002 0.000 0.284 26 L C -1.049 176.077 176.870 0.426 0.000 1.013 26 L CA -0.218 54.777 54.840 0.259 0.000 0.819 26 L CB 1.290 43.567 42.059 0.363 0.000 1.227 26 L HN 0.585 nan 8.230 nan 0.000 0.417 27 I N 3.040 123.721 120.570 0.185 0.000 2.410 27 I HA 0.388 4.559 4.170 0.002 0.000 0.286 27 I C -0.710 175.708 176.117 0.501 0.000 1.009 27 I CA -0.168 61.368 61.300 0.394 0.000 1.111 27 I CB 1.573 39.617 38.000 0.072 0.000 1.262 27 I HN 0.283 nan 8.210 nan 0.000 0.443 28 F N 4.132 124.464 119.950 0.638 0.000 2.422 28 F HA 0.700 5.235 4.527 0.014 0.000 0.333 28 F C 0.857 176.838 175.800 0.302 0.000 1.095 28 F CA -0.501 57.785 58.000 0.475 0.000 1.038 28 F CB 1.530 40.767 39.000 0.394 0.000 1.156 28 F HN 0.456 nan 8.300 nan 0.000 0.483 29 A N 1.937 124.739 122.820 -0.030 0.000 2.366 29 A HA 0.624 4.945 4.320 0.002 0.000 0.249 29 A C 0.028 177.607 177.584 -0.008 0.000 1.084 29 A CA -0.213 51.597 52.037 -0.379 0.000 0.794 29 A CB -0.119 18.494 19.000 -0.645 0.000 1.034 29 A HN 0.951 nan 8.150 nan 0.000 0.491 30 A N 2.363 125.160 122.820 -0.038 0.000 2.462 30 A HA 0.546 4.867 4.320 0.002 0.000 0.243 30 A C -2.052 175.399 177.584 -0.222 0.000 1.076 30 A CA -1.028 50.869 52.037 -0.232 0.000 0.773 30 A CB -0.520 18.395 19.000 -0.141 0.000 1.010 30 A HN 0.668 nan 8.150 nan 0.000 0.493 31 P HA 0.182 nan 4.420 nan 0.000 0.274 31 P C -0.406 176.856 177.300 -0.063 0.000 1.237 31 P CA -0.274 62.631 63.100 -0.326 0.000 0.793 31 P CB 0.516 32.001 31.700 -0.359 0.000 0.977 32 E N -0.180 119.972 120.200 -0.079 0.000 2.404 32 E HA 0.254 4.605 4.350 0.002 0.000 0.261 32 E C -0.534 176.060 176.600 -0.010 0.000 1.074 32 E CA -0.326 56.080 56.400 0.008 0.000 0.917 32 E CB 0.448 30.083 29.700 -0.108 0.000 0.965 32 E HN 0.157 nan 8.360 nan 0.000 0.433 33 V N 2.499 122.441 119.914 0.045 0.000 2.483 33 V HA 0.123 4.244 4.120 0.002 0.000 0.297 33 V C -0.128 176.039 176.094 0.122 0.000 1.027 33 V CA -0.784 61.562 62.300 0.078 0.000 0.855 33 V CB 1.958 33.836 31.823 0.092 0.000 0.995 33 V HN 0.686 nan 8.190 nan 0.000 0.424 34 T N 4.930 119.523 114.554 0.066 0.000 2.888 34 T HA 0.137 4.488 4.350 0.002 0.000 0.301 34 T C 1.024 175.713 174.700 -0.018 0.000 1.001 34 T CA 0.217 62.317 62.100 -0.001 0.000 1.147 34 T CB 1.055 69.911 68.868 -0.019 0.000 0.931 34 T HN 0.749 nan 8.240 nan 0.000 0.541 35 R N 2.036 122.357 120.500 -0.298 0.000 2.062 35 R HA 0.225 4.566 4.340 0.002 0.000 0.218 35 R C 0.472 176.604 176.300 -0.279 0.000 1.161 35 R CA 0.353 56.060 56.100 -0.655 0.000 0.994 35 R CB 0.322 29.988 30.300 -1.056 0.000 0.888 35 R HN 0.540 nan 8.270 nan 0.000 0.442 36 S N -1.188 114.388 115.700 -0.206 0.000 2.592 36 S HA 0.547 5.018 4.470 0.002 0.000 0.275 36 S C -0.534 174.010 174.600 -0.092 0.000 1.169 36 S CA -0.207 57.922 58.200 -0.119 0.000 0.958 36 S CB 1.356 64.490 63.200 -0.109 0.000 1.095 36 S HN 0.708 nan 8.310 nan 0.000 0.471 37 A N 3.908 126.689 122.820 -0.065 0.000 5.308 37 A HA -0.273 4.048 4.320 0.002 0.000 0.321 37 A C 1.051 178.597 177.584 -0.063 0.000 1.849 37 A CA 2.049 54.054 52.037 -0.053 0.000 0.713 37 A CB -2.108 16.866 19.000 -0.044 0.000 1.360 37 A HN 1.267 nan 8.150 nan 0.000 0.384 38 D N 0.665 121.029 120.400 -0.060 0.000 2.340 38 D HA 0.207 4.848 4.640 0.002 0.000 0.220 38 D C 0.900 177.150 176.300 -0.084 0.000 1.039 38 D CA 1.076 55.034 54.000 -0.070 0.000 0.866 38 D CB -0.811 39.958 40.800 -0.053 0.000 0.913 38 D HN 1.158 nan 8.370 nan 0.000 0.523 39 S N -0.459 115.188 115.700 -0.088 0.000 2.562 39 S HA 0.440 4.911 4.470 0.002 0.000 0.275 39 S C -0.151 174.362 174.600 -0.145 0.000 1.281 39 S CA -0.777 57.361 58.200 -0.103 0.000 1.045 39 S CB 1.938 65.075 63.200 -0.104 0.000 0.962 39 S HN 0.076 nan 8.310 nan 0.000 0.503 40 E N 0.880 121.003 120.200 -0.128 0.000 2.263 40 E HA 0.395 4.746 4.350 0.002 0.000 0.264 40 E C -1.145 175.389 176.600 -0.109 0.000 0.923 40 E CA -0.796 55.538 56.400 -0.110 0.000 0.802 40 E CB 1.019 30.682 29.700 -0.061 0.000 1.228 40 E HN 0.675 nan 8.360 nan 0.000 0.417 41 Y N 1.148 121.416 120.300 -0.052 0.000 2.426 41 Y HA 0.117 4.667 4.550 -0.000 0.000 0.344 41 Y C -1.699 174.153 175.900 -0.081 0.000 1.256 41 Y CA -1.522 56.535 58.100 -0.071 0.000 1.451 41 Y CB -0.168 38.237 38.460 -0.093 0.000 1.342 41 Y HN 0.336 nan 8.280 nan 0.000 0.600 42 P HA -0.097 nan 4.420 nan 0.000 0.264 42 P C -1.033 176.200 177.300 -0.111 0.000 1.193 42 P CA 0.097 63.145 63.100 -0.087 0.000 0.763 42 P CB 0.032 31.495 31.700 -0.395 0.000 0.810 43 Y N 3.768 123.974 120.300 -0.157 0.000 2.610 43 Y HA 0.184 4.734 4.550 -0.001 0.000 0.332 43 Y C 0.682 176.462 175.900 -0.199 0.000 1.201 43 Y CA 0.086 58.095 58.100 -0.151 0.000 1.465 43 Y CB 0.400 38.788 38.460 -0.120 0.000 1.283 43 Y HN 0.200 nan 8.280 nan 0.000 0.563 44 R N 4.973 124.974 120.500 -0.832 0.000 2.435 44 R HA 0.280 4.621 4.340 0.002 0.000 0.308 44 R C -1.354 174.402 176.300 -0.906 0.000 0.975 44 R CA -0.920 54.760 56.100 -0.700 0.000 0.867 44 R CB 0.655 30.683 30.300 -0.453 0.000 1.171 44 R HN 0.712 nan 8.270 nan 0.000 0.470 45 Q N 2.627 122.029 119.800 -0.664 0.000 2.395 45 Q HA 0.079 4.420 4.340 0.002 0.000 0.271 45 Q C -0.310 175.651 176.000 -0.065 0.000 1.026 45 Q CA 0.442 56.076 55.803 -0.281 0.000 0.900 45 Q CB 0.581 29.432 28.738 0.190 0.000 1.266 45 Q HN 0.662 nan 8.270 nan 0.000 0.430 46 N N 2.040 120.819 118.700 0.131 0.000 2.357 46 N HA -0.086 4.655 4.740 0.002 0.000 0.257 46 N C -0.091 175.634 175.510 0.358 0.000 1.250 46 N CA 0.538 53.769 53.050 0.302 0.000 0.862 46 N CB 0.648 39.441 38.487 0.508 0.000 1.066 46 N HN 0.638 nan 8.380 nan 0.000 0.468 47 S N 2.938 118.790 115.700 0.252 0.000 2.368 47 S HA -0.125 4.346 4.470 0.002 0.000 0.225 47 S C 0.997 175.808 174.600 0.351 0.000 1.030 47 S CA 0.910 59.247 58.200 0.229 0.000 0.999 47 S CB -0.006 63.241 63.200 0.078 0.000 0.844 47 S HN 0.654 nan 8.310 nan 0.000 0.459 48 D N 0.431 121.072 120.400 0.401 0.000 2.117 48 D HA -0.035 4.606 4.640 0.002 0.000 0.198 48 D C 1.628 178.228 176.300 0.499 0.000 0.982 48 D CA 0.734 54.992 54.000 0.429 0.000 0.828 48 D CB -0.303 40.868 40.800 0.618 0.000 0.967 48 D HN 0.372 nan 8.370 nan 0.000 0.464 49 F N 0.926 121.135 119.950 0.433 0.000 2.134 49 F HA -0.167 4.363 4.527 0.004 0.000 0.299 49 F C 2.335 178.356 175.800 0.368 0.000 1.097 49 F CA 1.306 59.549 58.000 0.405 0.000 1.264 49 F CB -0.135 39.109 39.000 0.407 0.000 1.001 49 F HN 0.042 nan 8.300 nan 0.000 0.479 50 W N 0.048 121.581 121.300 0.388 0.000 2.335 50 W HA -0.338 4.322 4.660 0.000 0.000 0.311 50 W C 2.253 178.882 176.519 0.183 0.000 1.213 50 W CA 2.081 59.566 57.345 0.234 0.000 1.274 50 W CB -1.219 28.357 29.460 0.194 0.000 1.148 50 W HN 0.269 nan 8.180 nan 0.000 0.498 51 Y N 0.269 120.650 120.300 0.135 0.000 2.193 51 Y HA -0.292 4.259 4.550 0.002 0.000 0.285 51 Y C 2.014 177.799 175.900 -0.192 0.000 1.166 51 Y CA 2.543 60.594 58.100 -0.082 0.000 1.181 51 Y CB -1.110 37.173 38.460 -0.294 0.000 0.976 51 Y HN -0.148 nan 8.280 nan 0.000 0.520 52 F N -1.225 118.722 119.950 -0.005 0.000 2.754 52 F HA 0.070 4.598 4.527 0.001 0.000 0.297 52 F C 2.122 177.703 175.800 -0.365 0.000 1.122 52 F CA 1.114 59.014 58.000 -0.168 0.000 1.400 52 F CB -0.208 38.667 39.000 -0.207 0.000 1.117 52 F HN 0.167 nan 8.300 nan 0.000 0.587 53 T N -5.774 108.455 114.554 -0.541 0.000 3.105 53 T HA 0.334 4.685 4.350 0.002 0.000 0.257 53 T C 1.731 175.551 174.700 -1.468 0.000 0.949 53 T CA 0.538 62.121 62.100 -0.861 0.000 0.959 53 T CB 0.029 68.498 68.868 -0.665 0.000 1.205 53 T HN 0.186 nan 8.240 nan 0.000 0.496 54 G N 1.875 109.692 108.800 -1.639 0.000 2.225 54 G HA2 -0.227 3.734 3.960 0.002 0.000 0.267 54 G HA3 -0.227 3.734 3.960 0.002 0.000 0.267 54 G C -0.238 174.103 174.900 -0.932 0.000 1.024 54 G CA 0.327 44.288 45.100 -1.898 0.000 0.784 54 G HN 0.720 nan 8.290 nan 0.000 0.507 55 F N 0.769 120.436 119.950 -0.471 0.000 2.411 55 F HA 0.670 5.198 4.527 0.001 0.000 0.352 55 F C 0.301 176.373 175.800 0.454 0.000 1.123 55 F CA -2.573 55.453 58.000 0.044 0.000 1.044 55 F CB 1.557 40.611 39.000 0.090 0.000 1.135 55 F HN -0.063 nan 8.300 nan 0.000 0.461 56 N N 4.136 122.907 118.700 0.119 0.000 2.451 56 N HA 0.120 4.861 4.740 0.002 0.000 0.264 56 N C -0.999 174.423 175.510 -0.146 0.000 1.167 56 N CA 0.058 53.240 53.050 0.220 0.000 0.898 56 N CB -0.018 38.676 38.487 0.344 0.000 1.176 56 N HN 0.654 nan 8.380 nan 0.000 0.507 57 E N 0.337 120.146 120.200 -0.653 0.000 2.227 57 E HA 0.388 4.739 4.350 0.002 0.000 0.268 57 E C -2.403 173.833 176.600 -0.607 0.000 0.907 57 E CA -2.091 53.877 56.400 -0.720 0.000 0.786 57 E CB 1.982 31.189 29.700 -0.823 0.000 1.191 57 E HN 0.231 nan 8.360 nan 0.000 0.411 58 P HA 0.066 nan 4.420 nan 0.000 0.282 58 P C -0.868 176.126 177.300 -0.510 0.000 1.287 58 P CA -0.194 62.558 63.100 -0.579 0.000 0.792 58 P CB 0.424 31.712 31.700 -0.688 0.000 1.163 59 E N -2.461 117.367 120.200 -0.619 0.000 2.230 59 E HA -0.091 4.260 4.350 0.002 0.000 0.206 59 E C -0.480 175.669 176.600 -0.751 0.000 1.309 59 E CA 0.367 56.115 56.400 -1.086 0.000 0.697 59 E CB -1.875 27.190 29.700 -1.058 0.000 1.146 59 E HN 0.640 nan 8.360 nan 0.000 0.363 60 A N 0.151 122.789 122.820 -0.305 0.000 2.515 60 A HA 0.746 5.068 4.320 0.002 0.000 0.298 60 A C -0.686 177.037 177.584 0.231 0.000 1.059 60 A CA -0.507 51.608 52.037 0.130 0.000 0.698 60 A CB 2.074 21.252 19.000 0.297 0.000 1.289 60 A HN 0.117 nan 8.150 nan 0.000 0.404 61 V N 1.978 122.155 119.914 0.438 0.000 2.668 61 V HA 0.461 4.583 4.120 0.002 0.000 0.304 61 V C -1.023 175.289 176.094 0.364 0.000 1.071 61 V CA -0.418 62.047 62.300 0.276 0.000 0.894 61 V CB 1.519 33.318 31.823 -0.039 0.000 1.008 61 V HN 0.889 nan 8.190 nan 0.000 0.425 62 L N 6.038 127.454 121.223 0.322 0.000 2.275 62 L HA 0.726 5.068 4.340 0.002 0.000 0.288 62 L C -0.489 176.379 176.870 -0.004 0.000 1.046 62 L CA 0.174 55.066 54.840 0.086 0.000 0.805 62 L CB 1.541 43.544 42.059 -0.095 0.000 1.193 62 L HN 0.493 nan 8.230 nan 0.000 0.426 63 V N 6.815 126.718 119.914 -0.020 0.000 2.378 63 V HA 0.414 4.535 4.120 0.002 0.000 0.288 63 V C -0.181 175.832 176.094 -0.134 0.000 1.016 63 V CA -0.563 61.714 62.300 -0.038 0.000 0.840 63 V CB 1.441 33.294 31.823 0.052 0.000 0.994 63 V HN 0.566 nan 8.190 nan 0.000 0.431 64 L N 6.355 127.476 121.223 -0.171 0.000 2.287 64 L HA 0.620 4.961 4.340 0.002 0.000 0.287 64 L C -0.607 176.145 176.870 -0.198 0.000 1.022 64 L CA -0.322 54.385 54.840 -0.221 0.000 0.814 64 L CB 1.534 43.431 42.059 -0.271 0.000 1.217 64 L HN 0.481 nan 8.230 nan 0.000 0.420 65 I N 3.872 124.264 120.570 -0.296 0.000 2.378 65 I HA 0.311 4.482 4.170 0.002 0.000 0.291 65 I C -0.069 175.952 176.117 -0.160 0.000 0.992 65 I CA -0.415 60.731 61.300 -0.258 0.000 1.154 65 I CB 1.804 39.526 38.000 -0.464 0.000 1.315 65 I HN 0.511 nan 8.210 nan 0.000 0.448 66 K N 4.496 124.869 120.400 -0.045 0.000 2.389 66 K HA 0.385 4.706 4.320 0.002 0.000 0.261 66 K C 0.245 176.877 176.600 0.054 0.000 1.014 66 K CA -0.251 56.042 56.287 0.009 0.000 0.920 66 K CB 1.229 33.731 32.500 0.003 0.000 1.149 66 K HN 0.640 nan 8.250 nan 0.000 0.444 67 S N 2.921 118.678 115.700 0.094 0.000 2.362 67 S HA -0.084 4.387 4.470 0.002 0.000 0.221 67 S C 0.187 174.830 174.600 0.072 0.000 1.032 67 S CA 1.140 59.404 58.200 0.106 0.000 0.973 67 S CB -0.172 63.124 63.200 0.161 0.000 0.849 67 S HN 0.923 nan 8.310 nan 0.000 0.465 68 D N -1.137 119.295 120.400 0.054 0.000 2.838 68 D HA 0.225 4.866 4.640 0.002 0.000 0.334 68 D C -0.075 176.206 176.300 -0.032 0.000 1.315 68 D CA -0.578 53.419 54.000 -0.004 0.000 0.917 68 D CB -0.154 40.618 40.800 -0.046 0.000 1.435 68 D HN -0.156 nan 8.370 nan 0.000 0.517 69 D N -1.776 118.589 120.400 -0.059 0.000 2.263 69 D HA -0.098 4.543 4.640 0.002 0.000 0.208 69 D C 1.470 177.727 176.300 -0.072 0.000 0.971 69 D CA 2.411 56.379 54.000 -0.054 0.000 0.867 69 D CB 0.106 40.875 40.800 -0.051 0.000 0.929 69 D HN 0.470 nan 8.370 nan 0.000 0.492 70 T N -3.960 110.505 114.554 -0.148 0.000 2.978 70 T HA 0.099 4.450 4.350 0.002 0.000 0.248 70 T C 0.403 175.106 174.700 0.004 0.000 1.018 70 T CA -0.244 61.773 62.100 -0.139 0.000 1.026 70 T CB -0.007 68.707 68.868 -0.257 0.000 1.032 70 T HN 0.005 nan 8.240 nan 0.000 0.485 71 H N 3.060 122.138 119.070 0.013 0.000 2.504 71 H HA 0.729 5.286 4.556 0.002 0.000 0.322 71 H C -0.371 174.984 175.328 0.045 0.000 1.055 71 H CA -1.232 54.832 56.048 0.027 0.000 1.231 71 H CB 0.999 30.778 29.762 0.028 0.000 1.417 71 H HN 0.654 nan 8.280 nan 0.000 0.472 72 N N 1.112 119.921 118.700 0.183 0.000 2.591 72 N HA 0.358 5.099 4.740 0.002 0.000 0.263 72 N C -1.233 174.373 175.510 0.160 0.000 1.308 72 N CA -0.838 52.286 53.050 0.124 0.000 0.837 72 N CB 2.515 41.019 38.487 0.028 0.000 1.548 72 N HN 0.659 nan 8.380 nan 0.000 0.493 73 H N -1.788 117.264 119.070 -0.030 0.000 2.990 73 H HA 0.710 5.267 4.556 0.002 0.000 0.336 73 H C -1.739 173.549 175.328 -0.068 0.000 1.306 73 H CA -0.865 55.151 56.048 -0.053 0.000 1.118 73 H CB 1.122 30.849 29.762 -0.057 0.000 1.856 73 H HN 0.831 nan 8.280 nan 0.000 0.538 74 S N 0.564 116.228 115.700 -0.059 0.000 2.526 74 S HA 0.674 5.145 4.470 0.002 0.000 0.293 74 S C -0.886 173.662 174.600 -0.086 0.000 1.092 74 S CA -0.719 57.400 58.200 -0.136 0.000 0.980 74 S CB 1.911 65.037 63.200 -0.124 0.000 1.048 74 S HN 0.510 nan 8.310 nan 0.000 0.483 75 V N 2.862 122.700 119.914 -0.127 0.000 2.588 75 V HA 0.582 4.703 4.120 0.002 0.000 0.304 75 V C -0.896 175.097 176.094 -0.168 0.000 1.042 75 V CA -0.703 61.503 62.300 -0.158 0.000 0.877 75 V CB 1.504 33.221 31.823 -0.178 0.000 0.996 75 V HN 0.925 nan 8.190 nan 0.000 0.425 76 L N 4.953 126.051 121.223 -0.207 0.000 2.313 76 L HA 0.702 5.043 4.340 0.002 0.000 0.283 76 L C -1.105 175.649 176.870 -0.192 0.000 1.013 76 L CA 0.145 54.919 54.840 -0.109 0.000 0.816 76 L CB 1.147 43.144 42.059 -0.104 0.000 1.236 76 L HN 0.469 nan 8.230 nan 0.000 0.419 77 F N 5.456 125.478 119.950 0.120 0.000 2.410 77 F HA 0.543 5.075 4.527 0.007 0.000 0.349 77 F C 0.410 176.382 175.800 0.287 0.000 1.117 77 F CA -0.272 57.845 58.000 0.196 0.000 1.104 77 F CB 1.125 40.266 39.000 0.235 0.000 1.122 77 F HN 0.692 nan 8.300 nan 0.000 0.483 78 N N 1.706 120.653 118.700 0.411 0.000 2.825 78 N HA 0.375 5.116 4.740 0.002 0.000 0.253 78 N C -1.292 174.394 175.510 0.294 0.000 1.426 78 N CA -1.200 52.061 53.050 0.351 0.000 0.851 78 N CB 1.135 39.814 38.487 0.321 0.000 1.470 78 N HN 0.446 nan 8.380 nan 0.000 0.517 79 R N 0.138 120.763 120.500 0.208 0.000 2.537 79 R HA 0.252 4.593 4.340 0.002 0.000 0.280 79 R C 0.253 176.642 176.300 0.148 0.000 1.058 79 R CA -0.484 55.711 56.100 0.158 0.000 1.057 79 R CB 0.680 31.020 30.300 0.067 0.000 0.973 79 R HN 0.425 nan 8.270 nan 0.000 0.438 80 V N 3.828 123.824 119.914 0.136 0.000 2.963 80 V HA 0.033 4.154 4.120 0.002 0.000 0.306 80 V C 0.480 176.626 176.094 0.087 0.000 1.077 80 V CA -0.072 62.291 62.300 0.104 0.000 1.124 80 V CB 0.638 32.518 31.823 0.096 0.000 0.987 80 V HN 0.681 nan 8.190 nan 0.000 0.487 81 R N 4.001 124.544 120.500 0.072 0.000 2.421 81 R HA 0.209 4.550 4.340 0.002 0.000 0.305 81 R C -0.674 175.662 176.300 0.059 0.000 1.039 81 R CA -0.056 56.083 56.100 0.064 0.000 1.003 81 R CB 0.220 30.550 30.300 0.051 0.000 0.959 81 R HN 0.683 nan 8.270 nan 0.000 0.427 82 D N 3.783 124.221 120.400 0.063 0.000 2.620 82 D HA 0.026 4.667 4.640 0.002 0.000 0.252 82 D C 0.633 176.967 176.300 0.057 0.000 1.207 82 D CA -0.597 53.439 54.000 0.059 0.000 0.884 82 D CB 1.537 42.377 40.800 0.067 0.000 1.262 82 D HN 0.193 nan 8.370 nan 0.000 0.552 83 L N 3.899 125.151 121.223 0.048 0.000 1.990 83 L HA -0.151 4.190 4.340 0.002 0.000 0.213 83 L C 1.899 178.804 176.870 0.058 0.000 1.072 83 L CA 2.249 57.116 54.840 0.044 0.000 0.755 83 L CB -0.916 41.164 42.059 0.035 0.000 0.889 83 L HN 0.482 nan 8.230 nan 0.000 0.432 84 T N -0.035 114.559 114.554 0.068 0.000 2.674 84 T HA -0.165 4.186 4.350 0.002 0.000 0.265 84 T C 1.892 176.664 174.700 0.122 0.000 1.039 84 T CA 1.566 63.731 62.100 0.108 0.000 1.150 84 T CB -0.709 68.201 68.868 0.070 0.000 0.864 84 T HN 0.532 nan 8.240 nan 0.000 0.427 85 A N 1.414 124.277 122.820 0.071 0.000 1.978 85 A HA -0.183 4.138 4.320 0.002 0.000 0.220 85 A C 2.185 179.825 177.584 0.094 0.000 1.170 85 A CA 1.784 53.875 52.037 0.090 0.000 0.636 85 A CB -0.508 18.581 19.000 0.148 0.000 0.810 85 A HN 0.615 nan 8.150 nan 0.000 0.448 86 E N -0.672 119.578 120.200 0.083 0.000 2.122 86 E HA -0.001 4.350 4.350 0.002 0.000 0.190 86 E C 1.848 178.462 176.600 0.024 0.000 0.977 86 E CA 0.638 57.079 56.400 0.069 0.000 0.820 86 E CB -0.207 29.530 29.700 0.062 0.000 0.770 86 E HN 0.667 nan 8.360 nan 0.000 0.462 87 I N 0.170 120.744 120.570 0.008 0.000 2.194 87 I HA -0.292 3.879 4.170 0.002 0.000 0.246 87 I C 1.881 177.884 176.117 -0.189 0.000 1.093 87 I CA 1.466 62.721 61.300 -0.075 0.000 1.355 87 I CB -0.207 37.749 38.000 -0.072 0.000 1.046 87 I HN 0.216 nan 8.210 nan 0.000 0.413 88 W N 0.121 121.205 121.300 -0.359 0.000 2.474 88 W HA -0.045 4.617 4.660 0.004 0.000 0.319 88 W C 1.464 177.685 176.519 -0.497 0.000 1.165 88 W CA 0.654 57.608 57.345 -0.652 0.000 1.356 88 W CB -0.612 28.015 29.460 -1.389 0.000 1.172 88 W HN -0.121 nan 8.180 nan 0.000 0.478 89 F N 1.042 121.137 119.950 0.242 0.000 2.916 89 F HA 0.575 5.105 4.527 0.005 0.000 0.294 89 F C 0.930 176.766 175.800 0.060 0.000 1.189 89 F CA -0.424 57.649 58.000 0.122 0.000 1.369 89 F CB -0.562 38.487 39.000 0.082 0.000 0.961 89 F HN 0.054 nan 8.300 nan 0.000 0.508 90 G N 0.919 109.806 108.800 0.145 0.000 2.758 90 G HA2 -0.218 3.743 3.960 0.002 0.000 0.686 90 G HA3 -0.218 3.743 3.960 0.002 0.000 0.686 90 G C -0.284 174.665 174.900 0.082 0.000 1.389 90 G CA -1.250 43.907 45.100 0.095 0.000 0.845 90 G HN 0.354 nan 8.290 nan 0.000 0.572 91 R N 0.265 120.804 120.500 0.064 0.000 2.643 91 R HA 0.461 4.802 4.340 0.002 0.000 0.270 91 R C 0.726 177.071 176.300 0.074 0.000 1.061 91 R CA 0.111 56.250 56.100 0.064 0.000 1.107 91 R CB 0.560 30.895 30.300 0.058 0.000 0.999 91 R HN 0.584 nan 8.270 nan 0.000 0.460 92 R N 1.363 121.912 120.500 0.083 0.000 2.740 92 R HA 0.141 4.482 4.340 0.002 0.000 0.282 92 R C 0.690 177.064 176.300 0.124 0.000 0.969 92 R CA -0.790 55.373 56.100 0.105 0.000 0.918 92 R CB 1.346 31.705 30.300 0.097 0.000 1.175 92 R HN 0.376 nan 8.270 nan 0.000 0.464 93 L N 1.780 123.115 121.223 0.187 0.000 1.994 93 L HA 0.051 4.392 4.340 0.002 0.000 0.208 93 L C 0.805 177.725 176.870 0.083 0.000 1.071 93 L CA 2.678 57.606 54.840 0.147 0.000 0.745 93 L CB -0.564 41.607 42.059 0.188 0.000 0.892 93 L HN 0.972 nan 8.230 nan 0.000 0.431 94 G N -1.826 107.034 108.800 0.099 0.000 2.782 94 G HA2 -0.313 3.648 3.960 0.002 0.000 0.228 94 G HA3 -0.313 3.648 3.960 0.002 0.000 0.228 94 G C 0.102 175.016 174.900 0.024 0.000 1.372 94 G CA 0.243 45.382 45.100 0.065 0.000 0.862 94 G HN 0.352 nan 8.290 nan 0.000 0.547 95 Q N -0.586 119.223 119.800 0.016 0.000 2.163 95 Q HA 0.130 4.472 4.340 0.002 0.000 0.198 95 Q C 2.279 178.260 176.000 -0.032 0.000 0.954 95 Q CA 1.870 57.664 55.803 -0.015 0.000 0.851 95 Q CB -0.024 28.709 28.738 -0.008 0.000 0.928 95 Q HN 0.614 nan 8.270 nan 0.000 0.459 96 D N 0.074 120.463 120.400 -0.018 0.000 2.117 96 D HA -0.094 4.547 4.640 0.002 0.000 0.198 96 D C 1.402 177.683 176.300 -0.032 0.000 0.982 96 D CA 1.515 55.502 54.000 -0.023 0.000 0.828 96 D CB -0.103 40.691 40.800 -0.011 0.000 0.967 96 D HN 0.280 nan 8.370 nan 0.000 0.464 97 A N 0.522 123.324 122.820 -0.030 0.000 2.123 97 A HA 0.288 4.609 4.320 0.002 0.000 0.214 97 A C 2.179 179.721 177.584 -0.070 0.000 1.152 97 A CA 1.147 53.162 52.037 -0.037 0.000 0.728 97 A CB -0.187 18.803 19.000 -0.017 0.000 0.814 97 A HN 0.185 nan 8.150 nan 0.000 0.464 98 A N 1.014 123.777 122.820 -0.096 0.000 1.877 98 A HA 0.011 4.332 4.320 0.002 0.000 0.216 98 A C 0.179 177.668 177.584 -0.158 0.000 1.186 98 A CA 1.687 53.625 52.037 -0.166 0.000 0.620 98 A CB -1.547 17.335 19.000 -0.198 0.000 0.822 98 A HN 0.417 nan 8.150 nan 0.000 0.443 99 P HA -0.210 nan 4.420 nan 0.000 0.215 99 P C 1.592 178.835 177.300 -0.095 0.000 1.157 99 P CA 1.562 64.598 63.100 -0.106 0.000 0.874 99 P CB -0.021 31.629 31.700 -0.083 0.000 0.790 100 E N -0.081 120.072 120.200 -0.079 0.000 2.046 100 E HA -0.202 4.150 4.350 0.002 0.000 0.190 100 E C 1.979 178.536 176.600 -0.071 0.000 0.982 100 E CA 1.280 57.642 56.400 -0.063 0.000 0.800 100 E CB -0.196 29.477 29.700 -0.046 0.000 0.756 100 E HN -0.034 nan 8.360 nan 0.000 0.449 101 K N 0.505 120.854 120.400 -0.086 0.000 2.026 101 K HA -0.050 4.271 4.320 0.002 0.000 0.208 101 K C 2.089 178.610 176.600 -0.132 0.000 1.048 101 K CA 1.265 57.498 56.287 -0.091 0.000 0.929 101 K CB -0.182 32.261 32.500 -0.094 0.000 0.713 101 K HN 0.144 nan 8.250 nan 0.000 0.439 102 L N -0.953 120.156 121.223 -0.190 0.000 2.640 102 L HA 0.298 4.639 4.340 0.002 0.000 0.230 102 L C 0.705 177.464 176.870 -0.186 0.000 1.123 102 L CA 0.155 54.847 54.840 -0.246 0.000 0.900 102 L CB 0.225 42.063 42.059 -0.368 0.000 1.146 102 L HN 0.526 nan 8.230 nan 0.000 0.484 103 G N 1.797 110.518 108.800 -0.132 0.000 2.272 103 G HA2 -0.227 3.735 3.960 0.002 0.000 0.280 103 G HA3 -0.227 3.735 3.960 0.002 0.000 0.280 103 G C 0.072 174.910 174.900 -0.104 0.000 1.067 103 G CA 0.354 45.396 45.100 -0.097 0.000 0.902 103 G HN 0.261 nan 8.290 nan 0.000 0.500 104 V N -3.632 116.210 119.914 -0.121 0.000 2.732 104 V HA 0.713 4.835 4.120 0.002 0.000 0.310 104 V C 0.984 177.026 176.094 -0.087 0.000 1.053 104 V CA -0.211 62.021 62.300 -0.113 0.000 0.957 104 V CB 1.918 33.654 31.823 -0.146 0.000 1.018 104 V HN 0.039 nan 8.190 nan 0.000 0.452 105 D N 1.304 121.668 120.400 -0.060 0.000 2.183 105 D HA 0.043 4.684 4.640 0.002 0.000 0.203 105 D C 0.773 177.037 176.300 -0.060 0.000 0.969 105 D CA 1.308 55.282 54.000 -0.042 0.000 0.842 105 D CB 0.507 41.311 40.800 0.008 0.000 0.957 105 D HN 0.606 nan 8.370 nan 0.000 0.484 106 R N -0.478 119.977 120.500 -0.075 0.000 2.626 106 R HA 0.557 4.899 4.340 0.002 0.000 0.274 106 R C -1.909 174.300 176.300 -0.151 0.000 1.031 106 R CA -0.461 55.578 56.100 -0.101 0.000 0.898 106 R CB 2.156 32.405 30.300 -0.086 0.000 1.222 106 R HN -0.063 nan 8.270 nan 0.000 0.455 107 A N 4.837 127.565 122.820 -0.153 0.000 2.371 107 A HA 0.732 5.053 4.320 0.002 0.000 0.311 107 A C -1.378 176.099 177.584 -0.179 0.000 1.068 107 A CA -0.640 51.292 52.037 -0.176 0.000 0.744 107 A CB 1.104 20.029 19.000 -0.126 0.000 1.239 107 A HN 0.558 nan 8.150 nan 0.000 0.435 108 L N 1.203 122.273 121.223 -0.256 0.000 2.333 108 L HA 0.773 5.114 4.340 0.002 0.000 0.263 108 L C 0.572 177.461 176.870 0.031 0.000 1.014 108 L CA -1.070 53.663 54.840 -0.178 0.000 0.820 108 L CB 2.111 43.938 42.059 -0.388 0.000 1.352 108 L HN 0.813 nan 8.230 nan 0.000 0.421 109 A N 0.323 123.221 122.820 0.131 0.000 2.450 109 A HA 0.154 4.475 4.320 0.002 0.000 0.255 109 A C 0.494 178.302 177.584 0.374 0.000 1.096 109 A CA -0.057 52.113 52.037 0.222 0.000 0.778 109 A CB -0.111 18.983 19.000 0.157 0.000 1.031 109 A HN 0.719 nan 8.150 nan 0.000 0.494 110 F N 3.091 123.193 119.950 0.254 0.000 2.202 110 F HA -0.217 4.308 4.527 -0.003 0.000 0.301 110 F C 2.564 178.453 175.800 0.148 0.000 1.082 110 F CA 2.477 60.622 58.000 0.241 0.000 1.313 110 F CB -0.089 39.017 39.000 0.176 0.000 1.024 110 F HN 0.615 nan 8.300 nan 0.000 0.495 111 S N -0.755 115.058 115.700 0.188 0.000 2.465 111 S HA -0.167 4.304 4.470 0.002 0.000 0.241 111 S C 1.464 176.059 174.600 -0.008 0.000 1.000 111 S CA 1.297 59.537 58.200 0.068 0.000 0.964 111 S CB -0.472 62.795 63.200 0.112 0.000 0.763 111 S HN 0.464 nan 8.310 nan 0.000 0.512 112 E N 0.554 120.776 120.200 0.037 0.000 2.474 112 E HA 0.312 4.663 4.350 0.002 0.000 0.195 112 E C 1.458 178.055 176.600 -0.005 0.000 1.039 112 E CA -0.150 56.282 56.400 0.053 0.000 0.881 112 E CB -0.254 29.524 29.700 0.129 0.000 0.970 112 E HN 0.636 nan 8.360 nan 0.000 0.486 113 I N 1.363 121.790 120.570 -0.238 0.000 2.264 113 I HA -0.292 3.879 4.170 0.002 0.000 0.248 113 I C 1.422 177.348 176.117 -0.317 0.000 1.111 113 I CA 1.100 62.050 61.300 -0.583 0.000 1.382 113 I CB 0.190 37.574 38.000 -1.028 0.000 1.060 113 I HN 0.003 nan 8.210 nan 0.000 0.418 114 N N 0.406 118.996 118.700 -0.183 0.000 2.396 114 N HA -0.163 4.578 4.740 0.002 0.000 0.180 114 N C 1.626 177.193 175.510 0.094 0.000 1.028 114 N CA 0.917 53.937 53.050 -0.050 0.000 0.893 114 N CB -0.076 38.380 38.487 -0.051 0.000 0.967 114 N HN 0.464 nan 8.380 nan 0.000 0.440 115 Q N 0.078 119.929 119.800 0.086 0.000 2.398 115 Q HA 0.144 4.485 4.340 0.002 0.000 0.204 115 Q C 1.424 177.492 176.000 0.113 0.000 0.932 115 Q CA 0.712 56.621 55.803 0.176 0.000 0.916 115 Q CB 0.353 29.155 28.738 0.107 0.000 1.024 115 Q HN 0.277 nan 8.270 nan 0.000 0.504 116 Q N -1.356 118.475 119.800 0.053 0.000 2.422 116 Q HA 0.144 4.485 4.340 0.002 0.000 0.255 116 Q C 1.670 177.667 176.000 -0.006 0.000 0.864 116 Q CA 0.035 55.847 55.803 0.014 0.000 0.968 116 Q CB -0.011 28.872 28.738 0.240 0.000 1.130 116 Q HN 0.278 nan 8.270 nan 0.000 0.556 117 L N 1.600 122.826 121.223 0.005 0.000 2.046 117 L HA -0.194 4.147 4.340 0.002 0.000 0.208 117 L C 2.424 179.315 176.870 0.035 0.000 1.077 117 L CA 1.981 56.829 54.840 0.014 0.000 0.747 117 L CB -0.940 41.059 42.059 -0.100 0.000 0.896 117 L HN 0.304 nan 8.230 nan 0.000 0.432 118 Y N -0.964 119.342 120.300 0.010 0.000 2.274 118 Y HA -0.196 4.356 4.550 0.002 0.000 0.290 118 Y C 2.191 178.110 175.900 0.033 0.000 1.145 118 Y CA 1.452 59.560 58.100 0.014 0.000 1.203 118 Y CB -1.178 37.283 38.460 0.001 0.000 0.984 118 Y HN 0.344 nan 8.280 nan 0.000 0.533 119 Q N 0.637 120.036 119.800 -0.669 0.000 2.167 119 Q HA -0.070 4.271 4.340 0.002 0.000 0.202 119 Q C 2.244 178.163 176.000 -0.135 0.000 0.970 119 Q CA 1.668 57.202 55.803 -0.449 0.000 0.855 119 Q CB -0.150 28.298 28.738 -0.483 0.000 0.911 119 Q HN 0.590 nan 8.270 nan 0.000 0.438 120 L N 0.061 121.249 121.223 -0.058 0.000 2.179 120 L HA -0.099 4.242 4.340 0.002 0.000 0.208 120 L C 2.062 178.954 176.870 0.037 0.000 1.096 120 L CA 0.657 55.509 54.840 0.021 0.000 0.779 120 L CB -0.160 41.941 42.059 0.070 0.000 0.922 120 L HN 0.216 nan 8.230 nan 0.000 0.443 121 L N -0.647 120.603 121.223 0.045 0.000 2.418 121 L HA -0.012 4.329 4.340 0.002 0.000 0.218 121 L C 0.821 177.728 176.870 0.062 0.000 1.125 121 L CA -0.222 54.655 54.840 0.061 0.000 0.835 121 L CB -0.523 41.580 42.059 0.074 0.000 0.953 121 L HN 0.259 nan 8.230 nan 0.000 0.454 122 N N 1.243 119.980 118.700 0.062 0.000 2.411 122 N HA 0.056 4.798 4.740 0.002 0.000 0.261 122 N C 1.106 176.647 175.510 0.052 0.000 1.248 122 N CA 1.304 54.396 53.050 0.070 0.000 0.885 122 N CB 0.662 39.191 38.487 0.070 0.000 1.062 122 N HN 0.318 nan 8.380 nan 0.000 0.471 123 G N 2.322 111.152 108.800 0.050 0.000 2.179 123 G HA2 -0.255 3.706 3.960 0.002 0.000 0.260 123 G HA3 -0.255 3.706 3.960 0.002 0.000 0.260 123 G C 0.157 175.081 174.900 0.040 0.000 0.977 123 G CA 0.451 45.576 45.100 0.041 0.000 0.641 123 G HN 0.546 nan 8.290 nan 0.000 0.533 124 L N 0.267 121.516 121.223 0.043 0.000 2.453 124 L HA 0.389 4.730 4.340 0.002 0.000 0.261 124 L C 1.219 178.109 176.870 0.033 0.000 1.179 124 L CA -0.575 54.291 54.840 0.043 0.000 0.813 124 L CB 0.429 42.518 42.059 0.051 0.000 1.110 124 L HN -0.068 nan 8.230 nan 0.000 0.466 125 D N 0.086 120.504 120.400 0.030 0.000 2.216 125 D HA 0.080 4.721 4.640 0.002 0.000 0.208 125 D C -0.001 176.296 176.300 -0.005 0.000 0.960 125 D CA 0.989 54.998 54.000 0.015 0.000 0.861 125 D CB 0.587 41.398 40.800 0.019 0.000 0.985 125 D HN 0.114 nan 8.370 nan 0.000 0.493 126 V N 0.876 120.786 119.914 -0.007 0.000 2.709 126 V HA 0.372 4.493 4.120 0.002 0.000 0.308 126 V C -0.621 175.442 176.094 -0.052 0.000 1.062 126 V CA -0.980 61.272 62.300 -0.081 0.000 0.901 126 V CB 2.960 34.689 31.823 -0.157 0.000 1.003 126 V HN -0.194 nan 8.190 nan 0.000 0.425 127 V N 5.576 125.438 119.914 -0.087 0.000 2.495 127 V HA 0.609 4.730 4.120 0.002 0.000 0.298 127 V C -1.438 174.633 176.094 -0.038 0.000 1.031 127 V CA -0.348 61.963 62.300 0.019 0.000 0.871 127 V CB 1.589 33.451 31.823 0.065 0.000 0.988 127 V HN 0.749 nan 8.190 nan 0.000 0.432 128 Y N 6.629 127.053 120.300 0.206 0.000 2.367 128 Y HA 0.659 5.210 4.550 0.002 0.000 0.342 128 Y C 0.081 176.283 175.900 0.503 0.000 0.979 128 Y CA -0.100 58.191 58.100 0.318 0.000 1.161 128 Y CB 0.959 39.632 38.460 0.356 0.000 1.155 128 Y HN 0.851 nan 8.280 nan 0.000 0.503 129 H N 1.551 120.795 119.070 0.290 0.000 2.947 129 H HA 0.645 5.199 4.556 -0.003 0.000 0.354 129 H C -1.312 173.881 175.328 -0.224 0.000 1.085 129 H CA -1.098 55.055 56.048 0.176 0.000 1.253 129 H CB 1.432 31.284 29.762 0.149 0.000 1.757 129 H HN 0.659 nan 8.280 nan 0.000 0.523 130 A N 4.994 127.289 122.820 -0.875 0.000 2.990 130 A HA 0.189 4.510 4.320 0.002 0.000 0.282 130 A C 0.380 177.397 177.584 -0.945 0.000 1.688 130 A CA -0.403 51.030 52.037 -1.007 0.000 1.391 130 A CB -0.759 17.581 19.000 -1.100 0.000 1.112 130 A HN 0.774 nan 8.150 nan 0.000 0.588 131 Q N 0.979 120.292 119.800 -0.812 0.000 2.300 131 Q HA 0.364 4.706 4.340 0.002 0.000 0.280 131 Q C 1.264 177.065 176.000 -0.333 0.000 1.033 131 Q CA 1.410 56.899 55.803 -0.524 0.000 0.903 131 Q CB 0.210 28.814 28.738 -0.224 0.000 1.195 131 Q HN 1.371 nan 8.270 nan 0.000 0.386 132 G N 3.138 111.794 108.800 -0.240 0.000 2.195 132 G HA2 -0.329 3.633 3.960 0.002 0.000 0.246 132 G HA3 -0.329 3.633 3.960 0.002 0.000 0.246 132 G C 0.646 175.417 174.900 -0.216 0.000 0.984 132 G CA 0.511 45.505 45.100 -0.177 0.000 0.633 132 G HN 0.705 nan 8.290 nan 0.000 0.525 133 E N -0.336 119.671 120.200 -0.323 0.000 2.028 133 E HA 0.136 4.488 4.350 0.002 0.000 0.191 133 E C 0.306 176.578 176.600 -0.547 0.000 0.988 133 E CA 1.176 57.297 56.400 -0.466 0.000 0.799 133 E CB -0.045 29.331 29.700 -0.541 0.000 0.755 133 E HN 0.577 nan 8.360 nan 0.000 0.447 134 Y N -1.553 118.693 120.300 -0.090 0.000 2.442 134 Y HA 0.580 5.127 4.550 -0.005 0.000 0.344 134 Y C 0.717 176.551 175.900 -0.110 0.000 0.976 134 Y CA -0.636 57.435 58.100 -0.049 0.000 1.040 134 Y CB 1.741 40.194 38.460 -0.012 0.000 1.228 134 Y HN 0.025 nan 8.280 nan 0.000 0.451 135 A N 2.553 125.471 122.820 0.162 0.000 1.902 135 A HA -0.232 4.089 4.320 0.002 0.000 0.217 135 A C 1.851 179.469 177.584 0.057 0.000 1.181 135 A CA 2.116 54.200 52.037 0.079 0.000 0.623 135 A CB -1.164 17.894 19.000 0.097 0.000 0.818 135 A HN 0.949 nan 8.150 nan 0.000 0.443 136 Y N -0.708 119.610 120.300 0.030 0.000 2.274 136 Y HA 0.077 4.624 4.550 -0.006 0.000 0.290 136 Y C 2.314 178.175 175.900 -0.065 0.000 1.145 136 Y CA 0.798 58.903 58.100 0.007 0.000 1.203 136 Y CB -0.827 37.652 38.460 0.032 0.000 0.984 136 Y HN 0.217 nan 8.280 nan 0.000 0.533 137 A N 0.894 123.080 122.820 -1.056 0.000 1.897 137 A HA -0.134 4.187 4.320 0.002 0.000 0.215 137 A C 1.844 179.037 177.584 -0.651 0.000 1.181 137 A CA 1.676 52.874 52.037 -1.398 0.000 0.620 137 A CB -0.836 17.114 19.000 -1.748 0.000 0.821 137 A HN 0.513 nan 8.150 nan 0.000 0.443 138 D N -0.106 120.115 120.400 -0.297 0.000 2.117 138 D HA -0.112 4.529 4.640 0.002 0.000 0.197 138 D C 2.061 178.299 176.300 -0.104 0.000 0.987 138 D CA 1.389 55.335 54.000 -0.090 0.000 0.829 138 D CB -0.451 40.337 40.800 -0.020 0.000 0.961 138 D HN 0.203 nan 8.370 nan 0.000 0.460 139 V N 1.122 120.981 119.914 -0.091 0.000 2.295 139 V HA -0.226 3.895 4.120 0.002 0.000 0.246 139 V C 2.531 178.591 176.094 -0.055 0.000 1.049 139 V CA 1.165 63.438 62.300 -0.046 0.000 1.024 139 V CB -0.346 31.478 31.823 0.000 0.000 0.648 139 V HN 0.187 nan 8.190 nan 0.000 0.447 140 I N -0.490 120.035 120.570 -0.075 0.000 2.179 140 I HA -0.210 3.961 4.170 0.002 0.000 0.242 140 I C 2.343 178.429 176.117 -0.051 0.000 1.088 140 I CA 1.310 62.586 61.300 -0.040 0.000 1.357 140 I CB -0.344 37.675 38.000 0.033 0.000 1.051 140 I HN 0.143 nan 8.210 nan 0.000 0.409 141 V N 1.022 120.865 119.914 -0.118 0.000 2.358 141 V HA -0.235 3.886 4.120 0.002 0.000 0.246 141 V C 2.109 178.147 176.094 -0.094 0.000 1.047 141 V CA 1.795 64.005 62.300 -0.150 0.000 1.035 141 V CB -0.818 30.734 31.823 -0.451 0.000 0.658 141 V HN 0.435 nan 8.190 nan 0.000 0.452 142 N N 0.353 119.004 118.700 -0.081 0.000 2.166 142 N HA -0.117 4.624 4.740 0.002 0.000 0.186 142 N C 2.091 177.579 175.510 -0.037 0.000 1.019 142 N CA 1.704 54.727 53.050 -0.046 0.000 0.856 142 N CB -0.434 38.033 38.487 -0.034 0.000 0.993 142 N HN 0.396 nan 8.380 nan 0.000 0.426 143 S N 0.867 116.544 115.700 -0.039 0.000 2.368 143 S HA -0.062 4.409 4.470 0.002 0.000 0.225 143 S C 2.106 176.683 174.600 -0.038 0.000 1.030 143 S CA 1.102 59.278 58.200 -0.040 0.000 0.999 143 S CB -0.332 62.846 63.200 -0.037 0.000 0.844 143 S HN 0.505 nan 8.310 nan 0.000 0.459 144 A N 1.641 124.454 122.820 -0.012 0.000 1.877 144 A HA -0.022 4.299 4.320 0.002 0.000 0.216 144 A C 2.134 179.733 177.584 0.025 0.000 1.186 144 A CA 1.246 53.305 52.037 0.037 0.000 0.620 144 A CB -0.805 18.235 19.000 0.066 0.000 0.822 144 A HN 0.450 nan 8.150 nan 0.000 0.443 145 L N -0.722 120.504 121.223 0.005 0.000 2.083 145 L HA -0.161 4.180 4.340 0.002 0.000 0.209 145 L C 2.662 179.524 176.870 -0.012 0.000 1.083 145 L CA 1.160 56.003 54.840 0.004 0.000 0.752 145 L CB -0.569 41.487 42.059 -0.004 0.000 0.899 145 L HN 0.373 nan 8.230 nan 0.000 0.433 146 E N 0.611 120.793 120.200 -0.029 0.000 2.077 146 E HA -0.209 4.142 4.350 0.002 0.000 0.193 146 E C 2.170 178.732 176.600 -0.063 0.000 0.989 146 E CA 1.138 57.513 56.400 -0.041 0.000 0.800 146 E CB -0.050 29.624 29.700 -0.044 0.000 0.746 146 E HN 0.454 nan 8.360 nan 0.000 0.452 147 K N 0.451 120.790 120.400 -0.102 0.000 2.063 147 K HA -0.119 4.202 4.320 0.002 0.000 0.208 147 K C 2.385 178.909 176.600 -0.127 0.000 1.048 147 K CA 0.991 57.167 56.287 -0.184 0.000 0.928 147 K CB -0.186 32.081 32.500 -0.389 0.000 0.713 147 K HN 0.083 nan 8.250 nan 0.000 0.442 148 L N 0.300 121.494 121.223 -0.049 0.000 2.027 148 L HA -0.172 4.169 4.340 0.002 0.000 0.206 148 L C 2.543 179.414 176.870 0.001 0.000 1.074 148 L CA 1.257 56.106 54.840 0.016 0.000 0.745 148 L CB -0.376 41.721 42.059 0.063 0.000 0.898 148 L HN 0.145 nan 8.230 nan 0.000 0.433 149 R N 0.388 120.883 120.500 -0.008 0.000 2.091 149 R HA -0.169 4.172 4.340 0.002 0.000 0.238 149 R C 2.020 178.310 176.300 -0.015 0.000 1.136 149 R CA 1.396 57.491 56.100 -0.009 0.000 0.959 149 R CB -0.177 30.116 30.300 -0.012 0.000 0.856 149 R HN 0.317 nan 8.270 nan 0.000 0.437 150 K N -0.494 119.889 120.400 -0.029 0.000 2.487 150 K HA 0.044 4.366 4.320 0.002 0.000 0.192 150 K C 1.161 177.742 176.600 -0.033 0.000 1.027 150 K CA 0.542 56.810 56.287 -0.032 0.000 1.054 150 K CB 0.677 33.151 32.500 -0.044 0.000 0.824 150 K HN 0.190 nan 8.250 nan 0.000 0.510 151 G N 0.888 109.671 108.800 -0.029 0.000 3.609 151 G HA2 -0.056 3.905 3.960 0.002 0.000 0.280 151 G HA3 -0.056 3.905 3.960 0.002 0.000 0.280 151 G C 1.023 175.924 174.900 0.001 0.000 1.155 151 G CA -0.219 44.868 45.100 -0.022 0.000 0.876 151 G HN 0.227 nan 8.290 nan 0.000 0.535 152 S N 0.630 116.330 115.700 0.001 0.000 2.399 152 S HA -0.140 4.331 4.470 0.002 0.000 0.231 152 S C 2.117 176.723 174.600 0.009 0.000 1.022 152 S CA 0.545 58.749 58.200 0.008 0.000 0.983 152 S CB -0.211 62.992 63.200 0.005 0.000 0.803 152 S HN 0.423 nan 8.310 nan 0.000 0.480 153 R N 0.734 121.236 120.500 0.004 0.000 2.189 153 R HA 0.077 4.419 4.340 0.002 0.000 0.223 153 R C 1.291 177.598 176.300 0.011 0.000 1.092 153 R CA 1.153 57.257 56.100 0.006 0.000 0.989 153 R CB -0.205 30.096 30.300 0.001 0.000 0.876 153 R HN 0.449 nan 8.270 nan 0.000 0.457 154 Q N 0.130 119.940 119.800 0.015 0.000 2.222 154 Q HA 0.131 4.472 4.340 0.002 0.000 0.206 154 Q C -0.554 175.469 176.000 0.039 0.000 0.877 154 Q CA -0.083 55.736 55.803 0.028 0.000 0.958 154 Q CB 0.343 29.101 28.738 0.033 0.000 1.075 154 Q HN 0.143 nan 8.270 nan 0.000 0.483 155 N N 0.054 118.773 118.700 0.030 0.000 2.735 155 N HA -0.192 4.549 4.740 0.002 0.000 0.248 155 N C -1.141 174.396 175.510 0.045 0.000 1.083 155 N CA 0.746 53.816 53.050 0.033 0.000 0.703 155 N CB -1.540 36.965 38.487 0.030 0.000 1.005 155 N HN 0.338 nan 8.380 nan 0.000 0.550 156 L N 0.169 121.422 121.223 0.050 0.000 2.322 156 L HA 0.591 4.933 4.340 0.002 0.000 0.279 156 L C 0.913 177.812 176.870 0.048 0.000 1.036 156 L CA -0.497 54.384 54.840 0.068 0.000 0.807 156 L CB 1.876 43.989 42.059 0.090 0.000 1.226 156 L HN 0.187 nan 8.230 nan 0.000 0.433 157 T N -0.620 113.966 114.554 0.052 0.000 2.912 157 T HA 0.766 5.117 4.350 0.002 0.000 0.299 157 T C -0.533 174.193 174.700 0.044 0.000 1.052 157 T CA -0.792 61.331 62.100 0.038 0.000 0.996 157 T CB 1.963 70.849 68.868 0.030 0.000 1.070 157 T HN 0.661 nan 8.240 nan 0.000 0.465 158 A N 3.633 126.473 122.820 0.032 0.000 2.304 158 A HA 0.790 5.111 4.320 0.002 0.000 0.301 158 A C -2.357 175.241 177.584 0.023 0.000 1.132 158 A CA -1.862 50.194 52.037 0.031 0.000 0.819 158 A CB -0.207 18.805 19.000 0.020 0.000 1.094 158 A HN 0.760 nan 8.150 nan 0.000 0.492 159 P HA 0.203 nan 4.420 nan 0.000 0.271 159 P C 0.396 177.696 177.300 0.000 0.000 1.226 159 P CA 0.320 63.426 63.100 0.011 0.000 0.765 159 P CB 1.209 32.916 31.700 0.011 0.000 0.835 160 A N 3.268 126.085 122.820 -0.005 0.000 2.123 160 A HA 0.070 4.391 4.320 0.002 0.000 0.214 160 A C 0.858 178.430 177.584 -0.021 0.000 1.152 160 A CA 0.974 53.006 52.037 -0.009 0.000 0.728 160 A CB -0.391 18.605 19.000 -0.007 0.000 0.814 160 A HN 0.521 nan 8.150 nan 0.000 0.464 161 T N 0.659 115.193 114.554 -0.034 0.000 2.779 161 T HA 0.542 4.893 4.350 0.002 0.000 0.280 161 T C -0.554 174.093 174.700 -0.087 0.000 0.987 161 T CA -0.103 61.961 62.100 -0.060 0.000 0.966 161 T CB 1.154 69.979 68.868 -0.072 0.000 0.933 161 T HN 0.353 nan 8.240 nan 0.000 0.442 162 M N 5.029 124.581 119.600 -0.080 0.000 2.243 162 M HA 0.601 5.082 4.480 0.002 0.000 0.324 162 M C -1.781 174.451 176.300 -0.115 0.000 1.031 162 M CA -0.756 54.496 55.300 -0.080 0.000 0.949 162 M CB 0.750 33.343 32.600 -0.011 0.000 1.615 162 M HN 0.553 nan 8.290 nan 0.000 0.430 163 I N 3.321 123.778 120.570 -0.188 0.000 2.465 163 I HA 0.275 4.446 4.170 0.002 0.000 0.291 163 I C -0.674 175.435 176.117 -0.013 0.000 1.014 163 I CA -0.875 60.339 61.300 -0.143 0.000 1.093 163 I CB 1.900 39.730 38.000 -0.283 0.000 1.267 163 I HN 0.591 nan 8.210 nan 0.000 0.431 164 D N 6.801 127.175 120.400 -0.044 0.000 2.358 164 D HA 0.009 4.650 4.640 0.002 0.000 0.258 164 D C 0.916 177.209 176.300 -0.012 0.000 1.223 164 D CA -0.254 53.651 54.000 -0.159 0.000 0.886 164 D CB 0.649 41.327 40.800 -0.203 0.000 1.120 164 D HN 0.519 nan 8.370 nan 0.000 0.482 165 W N 4.000 125.377 121.300 0.128 0.000 2.937 165 W HA 0.043 4.705 4.660 0.004 0.000 0.245 165 W C 1.082 177.585 176.519 -0.026 0.000 1.306 165 W CA -0.556 56.855 57.345 0.110 0.000 1.470 165 W CB -0.369 29.157 29.460 0.111 0.000 1.132 165 W HN 0.322 nan 8.180 nan 0.000 0.675 166 R N 1.249 121.641 120.500 -0.180 0.000 2.081 166 R HA -0.113 4.228 4.340 0.002 0.000 0.235 166 R C -0.274 175.811 176.300 -0.358 0.000 1.131 166 R CA 1.943 57.795 56.100 -0.413 0.000 0.960 166 R CB -1.741 28.148 30.300 -0.685 0.000 0.856 166 R HN 0.104 nan 8.270 nan 0.000 0.436 167 P HA -0.152 nan 4.420 nan 0.000 0.216 167 P C 1.397 178.735 177.300 0.063 0.000 1.153 167 P CA 1.129 64.224 63.100 -0.010 0.000 0.858 167 P CB 0.042 31.756 31.700 0.023 0.000 0.789 168 V N -0.580 119.398 119.914 0.107 0.000 2.307 168 V HA -0.182 3.939 4.120 0.002 0.000 0.245 168 V C 2.447 178.640 176.094 0.165 0.000 1.045 168 V CA 1.724 64.104 62.300 0.133 0.000 1.024 168 V CB -1.074 30.832 31.823 0.137 0.000 0.651 168 V HN -0.050 nan 8.190 nan 0.000 0.449 169 V N -0.383 119.668 119.914 0.228 0.000 2.427 169 V HA -0.266 3.856 4.120 0.002 0.000 0.248 169 V C 2.172 178.395 176.094 0.216 0.000 1.051 169 V CA 2.107 64.572 62.300 0.275 0.000 1.048 169 V CB -0.961 31.131 31.823 0.449 0.000 0.666 169 V HN 0.684 nan 8.190 nan 0.000 0.456 170 H N -0.594 118.535 119.070 0.098 0.000 2.423 170 H HA -0.147 4.409 4.556 0.001 0.000 0.297 170 H C 2.385 177.686 175.328 -0.045 0.000 1.075 170 H CA 1.162 57.209 56.048 -0.002 0.000 1.342 170 H CB 0.332 30.109 29.762 0.026 0.000 1.395 170 H HN 0.399 nan 8.280 nan 0.000 0.530 171 E N 1.197 121.478 120.200 0.135 0.000 2.106 171 E HA -0.137 4.214 4.350 0.002 0.000 0.192 171 E C 2.105 178.801 176.600 0.160 0.000 0.984 171 E CA 0.914 57.384 56.400 0.115 0.000 0.806 171 E CB -0.028 29.746 29.700 0.123 0.000 0.750 171 E HN 0.390 nan 8.360 nan 0.000 0.458 172 M N -0.321 119.356 119.600 0.127 0.000 2.086 172 M HA -0.125 4.356 4.480 0.002 0.000 0.261 172 M C 2.369 178.709 176.300 0.068 0.000 1.067 172 M CA 1.698 57.080 55.300 0.136 0.000 1.116 172 M CB -0.195 32.508 32.600 0.173 0.000 1.348 172 M HN -0.006 nan 8.290 nan 0.000 0.407 173 R N 0.044 120.462 120.500 -0.136 0.000 2.152 173 R HA -0.130 4.211 4.340 0.002 0.000 0.232 173 R C 2.059 178.260 176.300 -0.164 0.000 1.117 173 R CA 0.893 56.840 56.100 -0.255 0.000 0.981 173 R CB -0.488 29.576 30.300 -0.394 0.000 0.870 173 R HN 0.246 nan 8.270 nan 0.000 0.451 174 L N -0.010 121.082 121.223 -0.218 0.000 2.201 174 L HA -0.020 4.321 4.340 0.002 0.000 0.212 174 L C -0.071 176.424 176.870 -0.625 0.000 1.105 174 L CA 1.544 56.063 54.840 -0.534 0.000 0.775 174 L CB 0.055 41.687 42.059 -0.713 0.000 0.913 174 L HN -0.117 nan 8.230 nan 0.000 0.440 175 F N 0.685 120.540 119.950 -0.159 0.000 2.361 175 F HA 0.401 4.929 4.527 0.001 0.000 0.364 175 F C 0.490 176.268 175.800 -0.037 0.000 1.117 175 F CA -0.920 57.020 58.000 -0.099 0.000 1.071 175 F CB 0.591 39.546 39.000 -0.074 0.000 1.188 175 F HN -0.305 nan 8.300 nan 0.000 0.464 176 K N 1.870 122.313 120.400 0.073 0.000 2.249 176 K HA 0.335 4.656 4.320 0.002 0.000 0.280 176 K C 0.213 176.849 176.600 0.060 0.000 1.033 176 K CA -0.371 55.954 56.287 0.064 0.000 0.946 176 K CB 0.884 33.390 32.500 0.011 0.000 1.005 176 K HN 0.609 nan 8.250 nan 0.000 0.469 177 S N 2.357 118.080 115.700 0.038 0.000 2.624 177 S HA 0.252 4.723 4.470 0.002 0.000 0.263 177 S C -1.662 172.921 174.600 -0.028 0.000 1.287 177 S CA -1.024 57.177 58.200 0.002 0.000 0.990 177 S CB 0.812 63.996 63.200 -0.025 0.000 0.950 177 S HN 0.349 nan 8.310 nan 0.000 0.561 178 P HA -0.092 nan 4.420 nan 0.000 0.216 178 P C 1.223 178.487 177.300 -0.061 0.000 1.150 178 P CA 1.314 64.391 63.100 -0.038 0.000 0.837 178 P CB -0.010 31.672 31.700 -0.030 0.000 0.786 179 E N -0.233 119.921 120.200 -0.078 0.000 2.077 179 E HA -0.205 4.146 4.350 0.002 0.000 0.193 179 E C 1.958 178.470 176.600 -0.146 0.000 0.989 179 E CA 1.060 57.399 56.400 -0.101 0.000 0.800 179 E CB -0.306 29.319 29.700 -0.124 0.000 0.746 179 E HN 0.455 nan 8.360 nan 0.000 0.452 180 E N 0.450 120.544 120.200 -0.176 0.000 2.072 180 E HA -0.145 4.206 4.350 0.002 0.000 0.191 180 E C 2.147 178.569 176.600 -0.297 0.000 0.985 180 E CA 0.672 56.870 56.400 -0.336 0.000 0.801 180 E CB -0.049 29.514 29.700 -0.229 0.000 0.750 180 E HN 0.260 nan 8.360 nan 0.000 0.452 181 I N 1.265 121.745 120.570 -0.149 0.000 2.286 181 I HA -0.262 3.909 4.170 0.002 0.000 0.248 181 I C 2.527 178.594 176.117 -0.085 0.000 1.115 181 I CA 0.902 62.143 61.300 -0.098 0.000 1.392 181 I CB -0.259 37.711 38.000 -0.050 0.000 1.065 181 I HN 0.072 nan 8.210 nan 0.000 0.418 182 A N 0.329 123.103 122.820 -0.077 0.000 1.933 182 A HA -0.147 4.174 4.320 0.002 0.000 0.218 182 A C 2.429 179.998 177.584 -0.025 0.000 1.175 182 A CA 1.761 53.773 52.037 -0.043 0.000 0.628 182 A CB -0.889 18.093 19.000 -0.030 0.000 0.814 182 A HN 0.247 nan 8.150 nan 0.000 0.444 183 V N -0.197 119.677 119.914 -0.066 0.000 2.358 183 V HA -0.221 3.900 4.120 0.002 0.000 0.246 183 V C 2.527 178.644 176.094 0.039 0.000 1.047 183 V CA 1.850 64.163 62.300 0.021 0.000 1.035 183 V CB -0.722 31.034 31.823 -0.112 0.000 0.658 183 V HN 0.555 nan 8.190 nan 0.000 0.452 184 L N -0.384 120.784 121.223 -0.091 0.000 2.131 184 L HA -0.162 4.179 4.340 0.002 0.000 0.210 184 L C 2.707 179.578 176.870 0.002 0.000 1.092 184 L CA 1.616 56.450 54.840 -0.010 0.000 0.759 184 L CB -0.528 41.513 42.059 -0.031 0.000 0.903 184 L HN 0.246 nan 8.230 nan 0.000 0.435 185 R N 0.036 120.524 120.500 -0.021 0.000 2.081 185 R HA -0.227 4.114 4.340 0.002 0.000 0.235 185 R C 2.465 178.735 176.300 -0.050 0.000 1.131 185 R CA 1.509 57.594 56.100 -0.026 0.000 0.960 185 R CB -0.073 30.211 30.300 -0.026 0.000 0.856 185 R HN 0.074 nan 8.270 nan 0.000 0.436 186 R N 0.550 121.011 120.500 -0.064 0.000 2.075 186 R HA 0.009 4.350 4.340 0.002 0.000 0.232 186 R C 1.944 178.090 176.300 -0.257 0.000 1.126 186 R CA 1.836 57.825 56.100 -0.185 0.000 0.963 186 R CB -0.765 29.396 30.300 -0.232 0.000 0.858 186 R HN 0.325 nan 8.270 nan 0.000 0.435 187 A N -0.409 122.340 122.820 -0.118 0.000 1.908 187 A HA -0.064 4.258 4.320 0.002 0.000 0.218 187 A C 2.373 179.923 177.584 -0.056 0.000 1.181 187 A CA 1.804 53.804 52.037 -0.061 0.000 0.627 187 A CB -1.408 17.656 19.000 0.107 0.000 0.818 187 A HN 0.523 nan 8.150 nan 0.000 0.445 188 G N -0.770 108.015 108.800 -0.024 0.000 2.422 188 G HA2 -0.230 3.732 3.960 0.002 0.000 0.218 188 G HA3 -0.230 3.732 3.960 0.002 0.000 0.218 188 G C 1.482 176.372 174.900 -0.017 0.000 1.146 188 G CA 1.087 46.187 45.100 -0.001 0.000 0.769 188 G HN 0.678 nan 8.290 nan 0.000 0.547 189 E N 0.015 120.176 120.200 -0.065 0.000 2.047 189 E HA -0.065 4.286 4.350 0.002 0.000 0.191 189 E C 2.478 179.012 176.600 -0.109 0.000 0.987 189 E CA 0.592 56.941 56.400 -0.086 0.000 0.799 189 E CB -0.170 29.453 29.700 -0.128 0.000 0.752 189 E HN 0.498 nan 8.360 nan 0.000 0.449 190 I N 0.687 121.154 120.570 -0.171 0.000 2.226 190 I HA -0.255 3.916 4.170 0.002 0.000 0.245 190 I C 2.418 178.597 176.117 0.105 0.000 1.100 190 I CA 1.396 62.607 61.300 -0.147 0.000 1.374 190 I CB -0.345 37.544 38.000 -0.185 0.000 1.057 190 I HN 0.170 nan 8.210 nan 0.000 0.413 191 T N 0.737 115.355 114.554 0.106 0.000 2.746 191 T HA -0.141 4.211 4.350 0.002 0.000 0.267 191 T C 2.068 176.992 174.700 0.373 0.000 1.039 191 T CA 1.405 63.695 62.100 0.316 0.000 1.142 191 T CB -0.322 68.663 68.868 0.196 0.000 0.866 191 T HN 0.472 nan 8.240 nan 0.000 0.444 192 A N 1.494 124.426 122.820 0.187 0.000 1.902 192 A HA -0.074 4.247 4.320 0.002 0.000 0.217 192 A C 2.347 180.035 177.584 0.174 0.000 1.181 192 A CA 1.575 53.704 52.037 0.154 0.000 0.623 192 A CB -0.725 18.314 19.000 0.065 0.000 0.818 192 A HN 0.456 nan 8.150 nan 0.000 0.443 193 M N -0.604 119.075 119.600 0.132 0.000 2.149 193 M HA -0.184 4.297 4.480 0.002 0.000 0.261 193 M C 2.506 178.909 176.300 0.171 0.000 1.064 193 M CA 1.447 56.823 55.300 0.127 0.000 1.102 193 M CB -0.423 32.232 32.600 0.092 0.000 1.369 193 M HN 0.510 nan 8.290 nan 0.000 0.408 194 A N -0.534 122.428 122.820 0.237 0.000 1.898 194 A HA -0.178 4.143 4.320 0.002 0.000 0.216 194 A C 1.860 179.486 177.584 0.069 0.000 1.181 194 A CA 1.387 53.513 52.037 0.148 0.000 0.620 194 A CB -1.077 18.014 19.000 0.152 0.000 0.819 194 A HN 0.493 nan 8.150 nan 0.000 0.442 195 H N -0.624 118.520 119.070 0.123 0.000 2.357 195 H HA -0.085 4.472 4.556 0.002 0.000 0.301 195 H C 2.280 177.616 175.328 0.013 0.000 1.082 195 H CA 1.833 57.942 56.048 0.101 0.000 1.342 195 H CB -0.251 29.597 29.762 0.144 0.000 1.389 195 H HN 0.466 nan 8.280 nan 0.000 0.511 196 T N 0.697 115.328 114.554 0.127 0.000 2.684 196 T HA -0.163 4.188 4.350 0.002 0.000 0.267 196 T C 2.089 176.776 174.700 -0.021 0.000 1.036 196 T CA 1.286 63.401 62.100 0.025 0.000 1.148 196 T CB -0.079 68.814 68.868 0.042 0.000 0.863 196 T HN 0.355 nan 8.240 nan 0.000 0.436 197 R N 0.940 121.447 120.500 0.012 0.000 2.083 197 R HA -0.079 4.262 4.340 0.002 0.000 0.237 197 R C 2.604 178.880 176.300 -0.039 0.000 1.137 197 R CA 1.529 57.626 56.100 -0.005 0.000 0.951 197 R CB -0.501 29.814 30.300 0.024 0.000 0.851 197 R HN 0.371 nan 8.270 nan 0.000 0.434 198 A N 0.883 123.676 122.820 -0.046 0.000 1.908 198 A HA -0.198 4.123 4.320 0.002 0.000 0.218 198 A C 2.252 179.790 177.584 -0.077 0.000 1.181 198 A CA 1.762 53.784 52.037 -0.024 0.000 0.627 198 A CB -0.495 18.510 19.000 0.009 0.000 0.818 198 A HN 0.398 nan 8.150 nan 0.000 0.445 199 M N -0.991 118.428 119.600 -0.303 0.000 2.159 199 M HA -0.183 4.299 4.480 0.002 0.000 0.263 199 M C 2.013 178.143 176.300 -0.284 0.000 1.063 199 M CA 1.748 56.663 55.300 -0.642 0.000 1.110 199 M CB -0.390 31.764 32.600 -0.745 0.000 1.374 199 M HN 0.501 nan 8.290 nan 0.000 0.411 200 E N -0.251 119.853 120.200 -0.161 0.000 2.152 200 E HA -0.124 4.227 4.350 0.002 0.000 0.192 200 E C 1.856 178.421 176.600 -0.059 0.000 0.983 200 E CA 0.659 57.005 56.400 -0.091 0.000 0.818 200 E CB 0.175 29.839 29.700 -0.060 0.000 0.758 200 E HN 0.302 nan 8.360 nan 0.000 0.467 201 K N 0.279 120.652 120.400 -0.047 0.000 2.314 201 K HA 0.046 4.367 4.320 0.002 0.000 0.198 201 K C 0.843 177.438 176.600 -0.009 0.000 1.045 201 K CA 0.009 56.278 56.287 -0.029 0.000 0.988 201 K CB -0.424 32.059 32.500 -0.029 0.000 0.783 201 K HN 0.103 nan 8.250 nan 0.000 0.484 202 C N 3.485 122.801 119.300 0.027 0.000 2.596 202 C HA 0.091 4.552 4.460 0.002 0.000 0.414 202 C C 0.101 175.111 174.990 0.034 0.000 1.396 202 C CA -0.049 59.017 59.018 0.080 0.000 1.698 202 C CB -0.779 27.109 27.740 0.247 0.000 2.572 202 C HN 0.249 nan 8.230 nan 0.000 0.604 203 R N 5.168 125.673 120.500 0.009 0.000 2.698 203 R HA 0.461 4.802 4.340 0.002 0.000 0.275 203 R C -2.866 173.415 176.300 -0.031 0.000 1.001 203 R CA -2.086 54.005 56.100 -0.015 0.000 0.896 203 R CB 1.142 31.424 30.300 -0.030 0.000 1.218 203 R HN 0.429 nan 8.270 nan 0.000 0.462 204 P HA 0.080 nan 4.420 nan 0.000 0.265 204 P C 0.786 178.043 177.300 -0.071 0.000 1.193 204 P CA 0.954 64.015 63.100 -0.064 0.000 0.765 204 P CB 0.497 32.163 31.700 -0.058 0.000 0.823 205 G N 1.531 110.265 108.800 -0.109 0.000 2.254 205 G HA2 -0.239 3.722 3.960 0.002 0.000 0.225 205 G HA3 -0.239 3.722 3.960 0.002 0.000 0.225 205 G C 0.266 175.111 174.900 -0.093 0.000 1.003 205 G CA -0.261 44.773 45.100 -0.111 0.000 0.622 205 G HN 0.451 nan 8.290 nan 0.000 0.507 206 M N 0.489 120.056 119.600 -0.054 0.000 2.226 206 M HA 0.527 5.008 4.480 0.002 0.000 0.324 206 M C 0.283 176.564 176.300 -0.032 0.000 1.112 206 M CA 0.109 55.452 55.300 0.072 0.000 1.176 206 M CB 0.292 32.921 32.600 0.048 0.000 1.430 206 M HN 0.067 nan 8.290 nan 0.000 0.462 207 F N 0.544 120.489 119.950 -0.008 0.000 2.378 207 F HA 0.161 4.689 4.527 0.002 0.000 0.325 207 F C 1.504 177.084 175.800 -0.367 0.000 1.097 207 F CA -0.250 57.522 58.000 -0.379 0.000 1.079 207 F CB 0.581 38.978 39.000 -1.005 0.000 1.240 207 F HN 0.646 nan 8.300 nan 0.000 0.519 208 E N 0.616 120.774 120.200 -0.071 0.000 2.097 208 E HA -0.298 4.054 4.350 0.002 0.000 0.196 208 E C 1.751 178.353 176.600 0.003 0.000 1.000 208 E CA 2.208 58.617 56.400 0.014 0.000 0.804 208 E CB -0.363 29.424 29.700 0.145 0.000 0.740 208 E HN 0.776 nan 8.360 nan 0.000 0.454 209 Y N -1.031 119.291 120.300 0.036 0.000 2.403 209 Y HA -0.118 4.433 4.550 0.002 0.000 0.291 209 Y C 1.634 177.488 175.900 -0.077 0.000 1.143 209 Y CA 1.330 59.395 58.100 -0.060 0.000 1.257 209 Y CB -1.005 37.387 38.460 -0.113 0.000 0.984 209 Y HN 0.127 nan 8.280 nan 0.000 0.550 210 H N 0.312 119.305 119.070 -0.127 0.000 2.387 210 H HA -0.063 4.495 4.556 0.002 0.000 0.299 210 H C 1.966 177.275 175.328 -0.031 0.000 1.090 210 H CA 1.692 57.718 56.048 -0.036 0.000 1.332 210 H CB -0.046 29.663 29.762 -0.087 0.000 1.386 210 H HN 0.341 nan 8.280 nan 0.000 0.516 211 L N 0.250 121.519 121.223 0.076 0.000 2.109 211 L HA -0.129 4.212 4.340 0.002 0.000 0.207 211 L C 2.535 179.360 176.870 -0.075 0.000 1.086 211 L CA 1.108 55.961 54.840 0.021 0.000 0.760 211 L CB -0.340 41.750 42.059 0.052 0.000 0.910 211 L HN 0.414 nan 8.230 nan 0.000 0.437 212 E N 0.724 120.865 120.200 -0.098 0.000 2.085 212 E HA -0.213 4.138 4.350 0.002 0.000 0.194 212 E C 2.145 178.485 176.600 -0.434 0.000 0.994 212 E CA 1.388 57.606 56.400 -0.302 0.000 0.801 212 E CB -0.146 29.432 29.700 -0.204 0.000 0.743 212 E HN 0.445 nan 8.360 nan 0.000 0.453 213 G N 1.021 109.731 108.800 -0.151 0.000 2.446 213 G HA2 -0.275 3.686 3.960 0.002 0.000 0.217 213 G HA3 -0.275 3.686 3.960 0.002 0.000 0.217 213 G C 1.447 176.319 174.900 -0.046 0.000 1.168 213 G CA 0.807 45.875 45.100 -0.052 0.000 0.771 213 G HN 0.224 nan 8.290 nan 0.000 0.551 214 E N 0.512 120.679 120.200 -0.055 0.000 2.077 214 E HA -0.080 4.271 4.350 0.002 0.000 0.193 214 E C 2.608 179.154 176.600 -0.090 0.000 0.989 214 E CA 0.556 56.928 56.400 -0.047 0.000 0.800 214 E CB -0.284 29.390 29.700 -0.044 0.000 0.746 214 E HN 0.527 nan 8.360 nan 0.000 0.452 215 I N 0.532 120.964 120.570 -0.231 0.000 2.179 215 I HA -0.290 3.881 4.170 0.002 0.000 0.242 215 I C 2.340 178.097 176.117 -0.600 0.000 1.088 215 I CA 1.371 62.406 61.300 -0.442 0.000 1.357 215 I CB -0.381 37.309 38.000 -0.516 0.000 1.051 215 I HN 0.201 nan 8.210 nan 0.000 0.409 216 H N -1.446 117.364 119.070 -0.434 0.000 2.423 216 H HA -0.192 4.365 4.556 0.002 0.000 0.297 216 H C 2.236 177.507 175.328 -0.094 0.000 1.075 216 H CA 1.044 56.917 56.048 -0.291 0.000 1.342 216 H CB -0.065 29.652 29.762 -0.075 0.000 1.395 216 H HN 0.389 nan 8.280 nan 0.000 0.530 217 H N 1.130 120.200 119.070 0.001 0.000 2.353 217 H HA -0.137 4.420 4.556 0.002 0.000 0.300 217 H C 2.118 177.450 175.328 0.008 0.000 1.090 217 H CA 1.738 57.792 56.048 0.009 0.000 1.327 217 H CB 0.334 30.091 29.762 -0.007 0.000 1.383 217 H HN 0.352 nan 8.280 nan 0.000 0.508 218 E N 0.164 120.406 120.200 0.070 0.000 2.072 218 E HA -0.128 4.223 4.350 0.002 0.000 0.191 218 E C 2.165 178.908 176.600 0.237 0.000 0.985 218 E CA 1.022 57.485 56.400 0.106 0.000 0.801 218 E CB -0.399 29.384 29.700 0.139 0.000 0.750 218 E HN 0.266 nan 8.360 nan 0.000 0.452 219 F N 1.538 121.556 119.950 0.114 0.000 2.065 219 F HA -0.221 4.307 4.527 0.002 0.000 0.298 219 F C 2.373 178.191 175.800 0.031 0.000 1.112 219 F CA 1.526 59.587 58.000 0.102 0.000 1.212 219 F CB -1.542 37.503 39.000 0.075 0.000 0.975 219 F HN 0.277 nan 8.300 nan 0.000 0.476 220 N N 1.386 120.171 118.700 0.142 0.000 2.120 220 N HA -0.222 4.519 4.740 0.002 0.000 0.188 220 N C 2.009 177.458 175.510 -0.102 0.000 1.024 220 N CA 1.502 54.537 53.050 -0.025 0.000 0.852 220 N CB -0.148 38.273 38.487 -0.110 0.000 1.003 220 N HN 0.451 nan 8.380 nan 0.000 0.424 221 R N -0.776 119.591 120.500 -0.222 0.000 2.237 221 R HA -0.034 4.307 4.340 0.002 0.000 0.219 221 R C 0.798 176.919 176.300 -0.298 0.000 1.080 221 R CA 1.138 57.054 56.100 -0.307 0.000 0.995 221 R CB -0.538 29.523 30.300 -0.400 0.000 0.875 221 R HN 0.345 nan 8.270 nan 0.000 0.462 222 H N -0.163 118.920 119.070 0.021 0.000 2.529 222 H HA 0.217 4.774 4.556 0.002 0.000 0.277 222 H C 0.872 176.248 175.328 0.081 0.000 1.004 222 H CA 0.607 56.674 56.048 0.032 0.000 1.167 222 H CB 1.089 30.852 29.762 0.002 0.000 1.445 222 H HN 0.603 nan 8.280 nan 0.000 0.554 223 G N 0.800 109.692 108.800 0.154 0.000 2.141 223 G HA2 -0.242 3.720 3.960 0.002 0.000 0.242 223 G HA3 -0.242 3.720 3.960 0.002 0.000 0.242 223 G C 0.446 175.469 174.900 0.205 0.000 0.982 223 G CA 0.119 45.321 45.100 0.168 0.000 0.662 223 G HN 0.614 nan 8.290 nan 0.000 0.527 224 A N 0.295 123.234 122.820 0.198 0.000 2.621 224 A HA 0.721 5.042 4.320 0.002 0.000 0.329 224 A C 1.296 178.886 177.584 0.011 0.000 1.458 224 A CA 0.195 52.318 52.037 0.143 0.000 1.052 224 A CB 0.066 19.133 19.000 0.112 0.000 1.142 224 A HN 0.414 nan 8.150 nan 0.000 0.523 225 R N 0.587 120.994 120.500 -0.155 0.000 2.148 225 R HA -0.029 4.312 4.340 0.002 0.000 0.227 225 R C -0.604 175.364 176.300 -0.553 0.000 1.103 225 R CA 1.212 57.054 56.100 -0.431 0.000 0.983 225 R CB -0.042 29.797 30.300 -0.769 0.000 0.874 225 R HN 0.724 nan 8.270 nan 0.000 0.451 226 Y N -0.312 119.984 120.300 -0.005 0.000 2.485 226 Y HA 0.380 4.932 4.550 0.004 0.000 0.345 226 Y C -2.237 173.616 175.900 -0.078 0.000 0.998 226 Y CA -3.944 54.122 58.100 -0.057 0.000 1.059 226 Y CB 0.950 39.361 38.460 -0.081 0.000 1.234 226 Y HN -0.170 nan 8.280 nan 0.000 0.461 227 P HA 0.090 nan 4.420 nan 0.000 0.272 227 P C 0.402 177.653 177.300 -0.083 0.000 1.230 227 P CA -0.209 62.873 63.100 -0.030 0.000 0.788 227 P CB 0.885 32.564 31.700 -0.035 0.000 0.949 228 S N 0.023 115.636 115.700 -0.145 0.000 2.527 228 S HA 0.072 4.543 4.470 0.002 0.000 0.222 228 S C 0.213 174.871 174.600 0.096 0.000 0.985 228 S CA 0.396 58.586 58.200 -0.016 0.000 0.921 228 S CB -0.995 62.257 63.200 0.086 0.000 0.772 228 S HN 0.594 nan 8.310 nan 0.000 0.529 229 Y N -1.566 118.739 120.300 0.007 0.000 2.713 229 Y HA 0.568 5.118 4.550 0.001 0.000 0.335 229 Y C -1.318 174.616 175.900 0.056 0.000 1.222 229 Y CA -1.865 56.225 58.100 -0.016 0.000 1.061 229 Y CB -0.145 38.286 38.460 -0.048 0.000 1.314 229 Y HN -0.243 nan 8.280 nan 0.000 0.453 230 N N 1.488 120.296 118.700 0.181 0.000 2.452 230 N HA 0.113 4.854 4.740 0.002 0.000 0.266 230 N C -0.581 175.063 175.510 0.223 0.000 1.209 230 N CA 0.180 53.313 53.050 0.139 0.000 0.929 230 N CB 1.001 39.546 38.487 0.097 0.000 1.063 230 N HN 0.688 nan 8.380 nan 0.000 0.472 231 T N 2.906 117.569 114.554 0.181 0.000 2.902 231 T HA 0.162 4.513 4.350 0.002 0.000 0.301 231 T C 0.947 175.768 174.700 0.203 0.000 1.012 231 T CA 0.129 62.351 62.100 0.204 0.000 1.151 231 T CB 0.188 69.176 68.868 0.200 0.000 0.946 231 T HN 0.246 nan 8.240 nan 0.000 0.542 232 I N 3.445 124.173 120.570 0.264 0.000 2.321 232 I HA 0.350 4.521 4.170 0.002 0.000 0.291 232 I C -0.354 175.907 176.117 0.240 0.000 0.998 232 I CA -0.667 60.788 61.300 0.258 0.000 1.227 232 I CB 1.518 39.698 38.000 0.301 0.000 1.368 232 I HN 0.281 nan 8.210 nan 0.000 0.466 233 V N 5.834 125.901 119.914 0.255 0.000 2.380 233 V HA 0.420 4.541 4.120 0.002 0.000 0.268 233 V C 0.401 176.668 176.094 0.289 0.000 1.008 233 V CA -0.524 61.901 62.300 0.209 0.000 0.823 233 V CB 1.213 33.117 31.823 0.135 0.000 1.053 233 V HN 0.885 nan 8.190 nan 0.000 0.446 234 G N 2.501 111.411 108.800 0.184 0.000 2.547 234 G HA2 0.531 4.492 3.960 0.002 0.000 0.327 234 G HA3 0.531 4.492 3.960 0.002 0.000 0.327 234 G C 0.109 174.947 174.900 -0.102 0.000 1.118 234 G CA -0.206 44.880 45.100 -0.024 0.000 1.022 234 G HN 0.689 nan 8.290 nan 0.000 0.464 235 S N 2.055 117.673 115.700 -0.137 0.000 2.578 235 S HA 0.820 5.291 4.470 0.002 0.000 0.283 235 S C 1.169 175.683 174.600 -0.142 0.000 1.195 235 S CA 0.241 58.359 58.200 -0.138 0.000 1.050 235 S CB 1.647 64.770 63.200 -0.128 0.000 1.012 235 S HN 2.092 nan 8.310 nan 0.000 0.511 236 G N 2.405 111.139 108.800 -0.109 0.000 2.611 236 G HA2 -0.338 3.623 3.960 0.002 0.000 0.301 236 G HA3 -0.338 3.623 3.960 0.002 0.000 0.301 236 G C 0.538 175.395 174.900 -0.071 0.000 1.233 236 G CA 0.539 45.590 45.100 -0.081 0.000 0.993 236 G HN 0.835 nan 8.290 nan 0.000 0.553 237 E N 1.258 121.415 120.200 -0.072 0.000 2.338 237 E HA -0.067 4.284 4.350 0.002 0.000 0.197 237 E C 2.198 178.731 176.600 -0.112 0.000 1.007 237 E CA 0.688 57.055 56.400 -0.055 0.000 0.849 237 E CB -0.142 29.536 29.700 -0.036 0.000 0.774 237 E HN 0.412 nan 8.360 nan 0.000 0.506 238 N N 0.637 119.194 118.700 -0.237 0.000 2.381 238 N HA -0.092 4.649 4.740 0.002 0.000 0.182 238 N C 1.807 177.132 175.510 -0.307 0.000 1.025 238 N CA 1.000 53.758 53.050 -0.487 0.000 0.888 238 N CB -0.408 37.455 38.487 -1.040 0.000 0.965 238 N HN 0.226 nan 8.380 nan 0.000 0.438 239 G N -0.003 108.718 108.800 -0.132 0.000 2.470 239 G HA2 -0.195 3.766 3.960 0.002 0.000 0.220 239 G HA3 -0.195 3.766 3.960 0.002 0.000 0.220 239 G C 1.489 176.467 174.900 0.130 0.000 1.121 239 G CA 0.575 45.688 45.100 0.022 0.000 0.766 239 G HN 0.369 nan 8.290 nan 0.000 0.553 240 C N 0.364 119.717 119.300 0.088 0.000 2.522 240 C HA 0.357 4.818 4.460 0.002 0.000 0.271 240 C C 1.084 176.065 174.990 -0.014 0.000 1.425 240 C CA -0.866 58.228 59.018 0.126 0.000 1.751 240 C CB -1.051 26.758 27.740 0.115 0.000 1.775 240 C HN 0.284 nan 8.230 nan 0.000 0.557 241 I N 1.403 121.955 120.570 -0.030 0.000 2.297 241 I HA 0.111 4.282 4.170 0.002 0.000 0.291 241 I C 1.096 177.180 176.117 -0.055 0.000 1.033 241 I CA -0.165 61.123 61.300 -0.020 0.000 1.253 241 I CB 0.844 38.891 38.000 0.078 0.000 1.396 241 I HN 0.200 nan 8.210 nan 0.000 0.476 242 L N 4.899 126.004 121.223 -0.197 0.000 2.012 242 L HA -0.173 4.168 4.340 0.002 0.000 0.210 242 L C 0.752 177.397 176.870 -0.374 0.000 1.073 242 L CA 1.592 56.201 54.840 -0.385 0.000 0.748 242 L CB -0.474 41.261 42.059 -0.539 0.000 0.891 242 L HN 0.684 nan 8.230 nan 0.000 0.431 243 H N -2.300 116.787 119.070 0.029 0.000 2.412 243 H HA 0.145 4.703 4.556 0.003 0.000 0.239 243 H C -0.869 174.528 175.328 0.114 0.000 1.388 243 H CA -0.592 55.495 56.048 0.065 0.000 1.148 243 H CB -0.009 29.767 29.762 0.023 0.000 1.637 243 H HN 0.070 nan 8.280 nan 0.000 0.542 244 Y N 2.146 122.503 120.300 0.095 0.000 2.537 244 Y HA 0.067 4.619 4.550 0.002 0.000 0.339 244 Y C 0.953 176.922 175.900 0.114 0.000 1.066 244 Y CA 0.032 58.185 58.100 0.088 0.000 1.357 244 Y CB 0.650 39.149 38.460 0.064 0.000 1.175 244 Y HN 0.400 nan 8.280 nan 0.000 0.525 245 T N -0.113 114.232 114.554 -0.348 0.000 3.058 245 T HA 0.171 4.522 4.350 0.002 0.000 0.278 245 T C 0.914 175.372 174.700 -0.404 0.000 0.974 245 T CA 0.021 61.960 62.100 -0.268 0.000 0.893 245 T CB 0.093 68.928 68.868 -0.054 0.000 1.138 245 T HN 0.514 nan 8.240 nan 0.000 0.529 246 E N 2.463 122.229 120.200 -0.723 0.000 2.110 246 E HA 0.015 4.366 4.350 0.002 0.000 0.193 246 E C 0.551 177.008 176.600 -0.239 0.000 0.988 246 E CA 0.612 56.771 56.400 -0.402 0.000 0.804 246 E CB -0.338 29.193 29.700 -0.281 0.000 0.745 246 E HN 0.435 nan 8.360 nan 0.000 0.458 247 N N 1.489 119.983 118.700 -0.343 0.000 2.716 247 N HA -0.207 4.534 4.740 0.002 0.000 0.250 247 N C -0.575 175.115 175.510 0.299 0.000 1.033 247 N CA 1.428 54.563 53.050 0.143 0.000 0.727 247 N CB -1.558 36.995 38.487 0.109 0.000 0.950 247 N HN 0.634 nan 8.380 nan 0.000 0.541 251 M N 3.927 123.325 119.600 -0.336 0.000 2.185 251 M HA 0.396 4.877 4.480 0.002 0.000 0.357 251 M C 0.030 176.229 176.300 -0.169 0.000 1.260 251 M CA 0.030 55.213 55.300 -0.195 0.000 1.124 251 M CB 0.837 33.353 32.600 -0.140 0.000 1.600 251 M HN 0.218 nan 8.290 nan 0.000 0.467 252 R N 1.487 121.906 120.500 -0.135 0.000 2.589 252 R HA 0.275 4.616 4.340 0.002 0.000 0.293 252 R C -0.997 175.249 176.300 -0.090 0.000 0.963 252 R CA -0.938 55.096 56.100 -0.110 0.000 0.905 252 R CB 1.329 31.570 30.300 -0.099 0.000 1.144 252 R HN 0.630 nan 8.270 nan 0.000 0.459 253 D N 0.392 120.747 120.400 -0.076 0.000 2.487 253 D HA 0.106 4.747 4.640 0.002 0.000 0.243 253 D C 1.125 177.388 176.300 -0.062 0.000 1.154 253 D CA 1.967 55.929 54.000 -0.064 0.000 0.876 253 D CB 0.406 41.175 40.800 -0.052 0.000 1.161 253 D HN 0.717 nan 8.370 nan 0.000 0.478 254 G N 3.134 111.895 108.800 -0.065 0.000 2.238 254 G HA2 -0.214 3.747 3.960 0.002 0.000 0.217 254 G HA3 -0.214 3.747 3.960 0.002 0.000 0.217 254 G C -0.008 174.853 174.900 -0.064 0.000 0.996 254 G CA 0.032 45.098 45.100 -0.057 0.000 0.632 254 G HN 0.619 nan 8.290 nan 0.000 0.503 255 D N 0.565 120.917 120.400 -0.080 0.000 2.294 255 D HA 0.636 5.277 4.640 0.002 0.000 0.250 255 D C 0.971 177.196 176.300 -0.124 0.000 1.058 255 D CA -0.300 53.647 54.000 -0.087 0.000 0.950 255 D CB 1.218 41.961 40.800 -0.094 0.000 1.158 255 D HN 0.286 nan 8.370 nan 0.000 0.453 256 L N 0.526 121.681 121.223 -0.113 0.000 2.421 256 L HA 0.469 4.810 4.340 0.002 0.000 0.263 256 L C 0.071 176.811 176.870 -0.216 0.000 1.122 256 L CA -0.841 53.900 54.840 -0.165 0.000 0.804 256 L CB 1.343 43.364 42.059 -0.062 0.000 1.150 256 L HN 0.003 nan 8.230 nan 0.000 0.457 257 V N 3.914 123.596 119.914 -0.386 0.000 2.531 257 V HA 0.447 4.568 4.120 0.002 0.000 0.301 257 V C -0.819 175.054 176.094 -0.369 0.000 1.034 257 V CA -0.566 61.498 62.300 -0.394 0.000 0.865 257 V CB 1.946 33.487 31.823 -0.469 0.000 0.995 257 V HN 0.570 nan 8.190 nan 0.000 0.424 258 L N 7.772 128.925 121.223 -0.117 0.000 2.272 258 L HA 0.657 4.998 4.340 0.002 0.000 0.289 258 L C -0.952 175.983 176.870 0.109 0.000 1.032 258 L CA -0.369 54.495 54.840 0.040 0.000 0.810 258 L CB 1.051 43.183 42.059 0.122 0.000 1.205 258 L HN 0.643 nan 8.230 nan 0.000 0.422 259 I N 4.744 125.437 120.570 0.205 0.000 2.382 259 I HA 0.304 4.475 4.170 0.002 0.000 0.286 259 I C -1.023 175.348 176.117 0.424 0.000 1.002 259 I CA -0.469 60.996 61.300 0.276 0.000 1.135 259 I CB 1.684 39.844 38.000 0.267 0.000 1.288 259 I HN 0.510 nan 8.210 nan 0.000 0.448 260 D N 6.488 127.125 120.400 0.396 0.000 2.440 260 D HA 0.714 5.355 4.640 0.002 0.000 0.239 260 D C -1.065 175.582 176.300 0.578 0.000 1.084 260 D CA -0.103 54.193 54.000 0.493 0.000 0.843 260 D CB 1.786 42.822 40.800 0.393 0.000 1.097 260 D HN 0.665 nan 8.370 nan 0.000 0.531 261 A N 2.187 125.404 122.820 0.662 0.000 2.574 261 A HA 0.826 5.147 4.320 0.002 0.000 0.297 261 A C -0.549 177.375 177.584 0.567 0.000 1.062 261 A CA -0.432 51.881 52.037 0.460 0.000 0.686 261 A CB 1.893 21.062 19.000 0.281 0.000 1.285 261 A HN 0.517 nan 8.150 nan 0.000 0.403 262 G N -0.226 108.666 108.800 0.155 0.000 2.746 262 G HA2 0.614 4.575 3.960 0.002 0.000 0.297 262 G HA3 0.614 4.575 3.960 0.002 0.000 0.297 262 G C -0.237 174.429 174.900 -0.389 0.000 1.426 262 G CA 0.135 45.284 45.100 0.082 0.000 0.989 262 G HN 1.939 nan 8.290 nan 0.000 0.520 263 C N 0.357 119.159 119.300 -0.830 0.000 2.422 263 C HA 0.856 5.317 4.460 0.002 0.000 0.364 263 C C 0.226 175.023 174.990 -0.321 0.000 1.251 263 C CA -0.880 57.516 59.018 -1.037 0.000 2.441 263 C CB 1.233 28.255 27.740 -1.196 0.000 2.393 263 C HN 0.812 nan 8.230 nan 0.000 0.606 264 E N 0.542 120.632 120.200 -0.182 0.000 2.114 264 E HA 0.403 4.754 4.350 0.002 0.000 0.266 264 E C -1.946 174.688 176.600 0.056 0.000 0.896 264 E CA -0.350 56.031 56.400 -0.032 0.000 0.750 264 E CB 0.850 30.527 29.700 -0.038 0.000 1.121 264 E HN 0.747 nan 8.360 nan 0.000 0.413 265 Y N 5.268 125.564 120.300 -0.007 0.000 2.326 265 Y HA 0.230 4.781 4.550 0.002 0.000 0.331 265 Y C -0.509 175.482 175.900 0.153 0.000 0.962 265 Y CA -1.022 57.106 58.100 0.046 0.000 1.167 265 Y CB 0.822 39.301 38.460 0.033 0.000 1.148 265 Y HN 0.491 nan 8.280 nan 0.000 0.463 266 K N 4.453 124.661 120.400 -0.320 0.000 3.035 266 K HA -0.240 4.081 4.320 0.002 0.000 0.262 266 K C 0.954 177.633 176.600 0.132 0.000 1.024 266 K CA 1.150 57.404 56.287 -0.054 0.000 0.748 266 K CB -1.917 30.552 32.500 -0.052 0.000 1.247 266 K HN 1.459 nan 8.250 nan 0.000 0.482 267 G N -1.594 107.116 108.800 -0.149 0.000 2.241 267 G HA2 -0.357 3.604 3.960 0.002 0.000 0.244 267 G HA3 -0.357 3.604 3.960 0.002 0.000 0.244 267 G C -0.026 174.676 174.900 -0.330 0.000 0.998 267 G CA 0.350 45.194 45.100 -0.426 0.000 0.621 267 G HN 0.294 nan 8.290 nan 0.000 0.519 268 Y N 1.443 121.759 120.300 0.026 0.000 2.310 268 Y HA 0.649 5.201 4.550 0.003 0.000 0.326 268 Y C 0.752 176.691 175.900 0.065 0.000 1.151 268 Y CA -0.103 58.041 58.100 0.073 0.000 1.195 268 Y CB 1.659 40.191 38.460 0.119 0.000 1.210 268 Y HN 0.448 nan 8.280 nan 0.000 0.483 269 A N 2.042 124.983 122.820 0.201 0.000 2.290 269 A HA 0.657 4.979 4.320 0.002 0.000 0.310 269 A C 0.420 178.108 177.584 0.174 0.000 1.202 269 A CA -0.122 52.009 52.037 0.157 0.000 0.837 269 A CB -0.018 19.080 19.000 0.163 0.000 1.139 269 A HN 0.886 nan 8.150 nan 0.000 0.509 270 G N 0.304 109.178 108.800 0.123 0.000 2.476 270 G HA2 0.500 4.461 3.960 0.002 0.000 0.286 270 G HA3 0.500 4.461 3.960 0.002 0.000 0.286 270 G C -0.990 174.066 174.900 0.260 0.000 1.177 270 G CA -0.088 45.092 45.100 0.134 0.000 0.870 270 G HN 0.673 nan 8.290 nan 0.000 0.528 271 D N 0.198 120.757 120.400 0.266 0.000 2.351 271 D HA 0.241 4.883 4.640 0.002 0.000 0.235 271 D C -0.751 175.695 176.300 0.243 0.000 1.331 271 D CA -0.342 53.877 54.000 0.364 0.000 0.959 271 D CB 0.215 41.194 40.800 0.298 0.000 1.432 271 D HN 0.257 nan 8.370 nan 0.000 0.544 272 I N 1.703 122.428 120.570 0.258 0.000 2.509 272 I HA 0.445 4.617 4.170 0.002 0.000 0.293 272 I C -0.161 176.013 176.117 0.094 0.000 1.020 272 I CA -0.616 60.705 61.300 0.035 0.000 1.088 272 I CB 2.478 40.306 38.000 -0.287 0.000 1.267 272 I HN 0.104 nan 8.210 nan 0.000 0.430 273 T N 5.362 119.969 114.554 0.087 0.000 2.824 273 T HA 0.562 4.914 4.350 0.002 0.000 0.282 273 T C -0.474 174.336 174.700 0.184 0.000 0.993 273 T CA -0.840 61.390 62.100 0.217 0.000 0.967 273 T CB 1.481 70.489 68.868 0.234 0.000 0.960 273 T HN 0.342 nan 8.240 nan 0.000 0.441 274 R N 1.710 122.410 120.500 0.333 0.000 2.686 274 R HA 0.664 5.005 4.340 0.002 0.000 0.283 274 R C -0.905 175.668 176.300 0.456 0.000 0.978 274 R CA -0.717 55.622 56.100 0.399 0.000 0.897 274 R CB 2.115 32.686 30.300 0.451 0.000 1.192 274 R HN 0.603 nan 8.270 nan 0.000 0.457 275 T N 3.542 118.374 114.554 0.464 0.000 2.807 275 T HA 0.729 5.080 4.350 0.002 0.000 0.279 275 T C -0.618 174.343 174.700 0.434 0.000 0.993 275 T CA -0.540 61.764 62.100 0.341 0.000 0.970 275 T CB 0.653 69.717 68.868 0.327 0.000 0.950 275 T HN 0.469 nan 8.240 nan 0.000 0.441 276 F N 0.800 120.799 119.950 0.083 0.000 2.668 276 F HA 0.739 5.267 4.527 0.002 0.000 0.309 276 F C -3.184 172.430 175.800 -0.311 0.000 1.117 276 F CA -2.961 54.942 58.000 -0.162 0.000 0.951 276 F CB 0.717 39.666 39.000 -0.085 0.000 1.323 276 F HN 0.198 nan 8.300 nan 0.000 0.451 277 P HA 0.123 nan 4.420 nan 0.000 0.276 277 P C 0.712 177.941 177.300 -0.118 0.000 1.235 277 P CA -0.154 62.729 63.100 -0.363 0.000 0.772 277 P CB 1.975 33.357 31.700 -0.530 0.000 0.871 278 V N 2.989 122.819 119.914 -0.141 0.000 2.380 278 V HA -0.272 3.850 4.120 0.002 0.000 0.251 278 V C 1.993 178.071 176.094 -0.027 0.000 1.063 278 V CA 2.615 64.877 62.300 -0.063 0.000 1.055 278 V CB -1.353 30.409 31.823 -0.101 0.000 0.657 278 V HN 0.670 nan 8.190 nan 0.000 0.455 279 N N 0.117 118.779 118.700 -0.062 0.000 2.322 279 N HA 0.200 4.941 4.740 0.002 0.000 0.194 279 N C 1.246 176.726 175.510 -0.051 0.000 1.126 279 N CA 0.843 53.863 53.050 -0.050 0.000 0.845 279 N CB 0.446 38.901 38.487 -0.053 0.000 0.976 279 N HN 0.448 nan 8.380 nan 0.000 0.475 280 G N -0.471 108.291 108.800 -0.063 0.000 2.179 280 G HA2 -0.332 3.629 3.960 0.002 0.000 0.260 280 G HA3 -0.332 3.629 3.960 0.002 0.000 0.260 280 G C -0.118 174.729 174.900 -0.088 0.000 0.977 280 G CA 0.538 45.597 45.100 -0.068 0.000 0.641 280 G HN 0.694 nan 8.290 nan 0.000 0.533 281 K N -0.110 120.223 120.400 -0.112 0.000 2.541 281 K HA 0.656 4.977 4.320 0.002 0.000 0.250 281 K C -0.347 176.211 176.600 -0.069 0.000 0.950 281 K CA -0.961 55.296 56.287 -0.050 0.000 0.805 281 K CB 0.606 33.103 32.500 -0.006 0.000 1.166 281 K HN -0.033 nan 8.250 nan 0.000 0.430 282 F N 2.651 122.580 119.950 -0.035 0.000 2.529 282 F HA 0.090 4.618 4.527 0.002 0.000 0.365 282 F C 1.402 177.187 175.800 -0.024 0.000 1.102 282 F CA 0.361 58.336 58.000 -0.041 0.000 1.271 282 F CB 0.846 39.800 39.000 -0.076 0.000 1.120 282 F HN 0.547 nan 8.300 nan 0.000 0.579 283 T N -0.262 114.389 114.554 0.162 0.000 2.788 283 T HA 0.071 4.422 4.350 0.002 0.000 0.287 283 T C 1.040 175.807 174.700 0.111 0.000 1.007 283 T CA -0.616 61.542 62.100 0.098 0.000 1.005 283 T CB 1.029 69.929 68.868 0.053 0.000 1.012 283 T HN 0.771 nan 8.240 nan 0.000 0.530 284 Q N 0.479 120.318 119.800 0.064 0.000 2.061 284 Q HA -0.166 4.175 4.340 0.002 0.000 0.204 284 Q C 2.432 178.483 176.000 0.085 0.000 0.984 284 Q CA 1.768 57.605 55.803 0.057 0.000 0.846 284 Q CB -0.785 27.972 28.738 0.031 0.000 0.902 284 Q HN 0.911 nan 8.270 nan 0.000 0.421 285 A N 0.505 123.368 122.820 0.072 0.000 1.902 285 A HA -0.254 4.067 4.320 0.002 0.000 0.217 285 A C 1.944 179.654 177.584 0.210 0.000 1.181 285 A CA 1.715 53.828 52.037 0.127 0.000 0.623 285 A CB -0.596 18.372 19.000 -0.052 0.000 0.818 285 A HN 0.551 nan 8.150 nan 0.000 0.443 286 Q N -1.288 118.618 119.800 0.178 0.000 2.084 286 Q HA -0.204 4.137 4.340 0.002 0.000 0.202 286 Q C 2.360 178.496 176.000 0.227 0.000 0.978 286 Q CA 1.703 57.652 55.803 0.243 0.000 0.844 286 Q CB -0.176 28.747 28.738 0.308 0.000 0.898 286 Q HN 0.553 nan 8.270 nan 0.000 0.426 287 R N 1.283 121.865 120.500 0.137 0.000 2.096 287 R HA -0.139 4.203 4.340 0.002 0.000 0.235 287 R C 1.607 177.916 176.300 0.016 0.000 1.127 287 R CA 1.630 57.709 56.100 -0.036 0.000 0.968 287 R CB -0.078 30.185 30.300 -0.061 0.000 0.861 287 R HN 0.289 nan 8.270 nan 0.000 0.440 288 E N -0.377 119.861 120.200 0.063 0.000 2.077 288 E HA -0.161 4.190 4.350 0.002 0.000 0.193 288 E C 1.706 178.290 176.600 -0.027 0.000 0.989 288 E CA 1.306 57.726 56.400 0.033 0.000 0.800 288 E CB -0.055 29.711 29.700 0.110 0.000 0.746 288 E HN 0.255 nan 8.360 nan 0.000 0.452 289 I N 0.045 120.618 120.570 0.006 0.000 2.286 289 I HA -0.215 3.956 4.170 0.002 0.000 0.245 289 I C 2.229 178.318 176.117 -0.047 0.000 1.104 289 I CA 1.178 62.440 61.300 -0.064 0.000 1.397 289 I CB -1.185 36.798 38.000 -0.027 0.000 1.072 289 I HN 0.164 nan 8.210 nan 0.000 0.417 290 Y N 2.486 122.735 120.300 -0.085 0.000 2.114 290 Y HA -0.309 4.242 4.550 0.002 0.000 0.282 290 Y C 2.268 178.080 175.900 -0.147 0.000 1.165 290 Y CA 2.016 60.049 58.100 -0.112 0.000 1.148 290 Y CB -0.154 38.189 38.460 -0.195 0.000 0.972 290 Y HN 0.210 nan 8.280 nan 0.000 0.504 291 D N 0.063 120.460 120.400 -0.004 0.000 2.178 291 D HA -0.190 4.451 4.640 0.002 0.000 0.201 291 D C 2.201 178.416 176.300 -0.141 0.000 0.980 291 D CA 1.687 55.650 54.000 -0.061 0.000 0.842 291 D CB -0.307 40.466 40.800 -0.045 0.000 0.948 291 D HN 0.470 nan 8.370 nan 0.000 0.472 292 I N 0.091 120.563 120.570 -0.165 0.000 2.202 292 I HA -0.204 3.967 4.170 0.002 0.000 0.242 292 I C 2.319 178.289 176.117 -0.246 0.000 1.091 292 I CA 0.552 61.736 61.300 -0.193 0.000 1.368 292 I CB -0.159 37.720 38.000 -0.203 0.000 1.058 292 I HN -0.106 nan 8.210 nan 0.000 0.410 293 V N 0.771 120.503 119.914 -0.304 0.000 2.343 293 V HA -0.261 3.860 4.120 0.002 0.000 0.247 293 V C 2.390 178.279 176.094 -0.341 0.000 1.051 293 V CA 1.593 63.680 62.300 -0.354 0.000 1.036 293 V CB -0.548 31.033 31.823 -0.403 0.000 0.654 293 V HN 0.355 nan 8.190 nan 0.000 0.451 294 L N 0.370 121.357 121.223 -0.392 0.000 2.056 294 L HA -0.144 4.197 4.340 0.002 0.000 0.207 294 L C 2.436 179.206 176.870 -0.166 0.000 1.078 294 L CA 2.215 56.885 54.840 -0.283 0.000 0.749 294 L CB -0.722 41.197 42.059 -0.232 0.000 0.901 294 L HN 0.444 nan 8.230 nan 0.000 0.433 295 E N -1.050 119.057 120.200 -0.156 0.000 2.085 295 E HA -0.214 4.137 4.350 0.002 0.000 0.194 295 E C 2.052 178.573 176.600 -0.132 0.000 0.994 295 E CA 1.391 57.718 56.400 -0.122 0.000 0.801 295 E CB -0.016 29.614 29.700 -0.116 0.000 0.743 295 E HN 0.589 nan 8.360 nan 0.000 0.453 296 S N 0.664 116.262 115.700 -0.171 0.000 2.356 296 S HA -0.177 4.294 4.470 0.002 0.000 0.223 296 S C 1.816 176.333 174.600 -0.139 0.000 1.032 296 S CA 1.104 59.196 58.200 -0.180 0.000 1.005 296 S CB -0.325 62.723 63.200 -0.254 0.000 0.867 296 S HN 0.272 nan 8.310 nan 0.000 0.449 297 L N 1.932 123.078 121.223 -0.128 0.000 2.005 297 L HA -0.048 4.293 4.340 0.002 0.000 0.207 297 L C 2.082 178.925 176.870 -0.044 0.000 1.072 297 L CA 1.833 56.630 54.840 -0.071 0.000 0.744 297 L CB -0.815 41.202 42.059 -0.069 0.000 0.895 297 L HN 0.239 nan 8.230 nan 0.000 0.433 298 E N -1.152 119.015 120.200 -0.055 0.000 2.077 298 E HA -0.204 4.147 4.350 0.002 0.000 0.193 298 E C 1.927 178.504 176.600 -0.040 0.000 0.989 298 E CA 1.838 58.217 56.400 -0.035 0.000 0.800 298 E CB -0.216 29.461 29.700 -0.038 0.000 0.746 298 E HN 0.548 nan 8.360 nan 0.000 0.452 299 T N 0.407 114.923 114.554 -0.064 0.000 2.708 299 T HA -0.127 4.224 4.350 0.002 0.000 0.266 299 T C 2.126 176.772 174.700 -0.090 0.000 1.037 299 T CA 1.317 63.371 62.100 -0.076 0.000 1.146 299 T CB -0.205 68.606 68.868 -0.095 0.000 0.865 299 T HN 0.045 nan 8.240 nan 0.000 0.435 300 S N 1.463 117.103 115.700 -0.100 0.000 2.370 300 S HA -0.003 4.468 4.470 0.002 0.000 0.226 300 S C 2.023 176.610 174.600 -0.023 0.000 1.033 300 S CA 0.935 59.052 58.200 -0.138 0.000 1.011 300 S CB -0.500 62.660 63.200 -0.067 0.000 0.852 300 S HN 0.363 nan 8.310 nan 0.000 0.457 301 L N 0.741 121.990 121.223 0.043 0.000 2.141 301 L HA -0.056 4.285 4.340 0.002 0.000 0.209 301 L C 2.712 179.617 176.870 0.058 0.000 1.094 301 L CA 1.037 55.930 54.840 0.088 0.000 0.763 301 L CB -0.376 41.718 42.059 0.058 0.000 0.908 301 L HN 0.212 nan 8.230 nan 0.000 0.437 302 R N -0.123 120.383 120.500 0.011 0.000 2.092 302 R HA -0.075 4.266 4.340 0.002 0.000 0.231 302 R C 2.226 178.524 176.300 -0.002 0.000 1.119 302 R CA 1.123 57.225 56.100 0.002 0.000 0.970 302 R CB -0.189 30.101 30.300 -0.018 0.000 0.864 302 R HN 0.352 nan 8.270 nan 0.000 0.440 303 L N -0.733 120.462 121.223 -0.048 0.000 2.162 303 L HA -0.015 4.326 4.340 0.002 0.000 0.205 303 L C 0.362 177.212 176.870 -0.033 0.000 1.086 303 L CA 0.167 54.958 54.840 -0.083 0.000 0.778 303 L CB -0.188 41.760 42.059 -0.184 0.000 0.928 303 L HN 0.054 nan 8.230 nan 0.000 0.446 304 Y N 2.297 122.605 120.300 0.013 0.000 2.632 304 Y HA 0.148 4.699 4.550 0.002 0.000 0.329 304 Y C 0.706 176.624 175.900 0.031 0.000 1.174 304 Y CA -0.071 58.044 58.100 0.026 0.000 1.469 304 Y CB 0.063 38.540 38.460 0.028 0.000 1.242 304 Y HN 0.203 nan 8.280 nan 0.000 0.540 305 R N 2.772 123.419 120.500 0.246 0.000 2.774 305 R HA 0.455 4.796 4.340 0.002 0.000 0.279 305 R C -3.601 172.782 176.300 0.138 0.000 1.022 305 R CA -2.178 54.010 56.100 0.146 0.000 0.855 305 R CB 0.800 31.159 30.300 0.097 0.000 1.279 305 R HN 0.191 nan 8.270 nan 0.000 0.485 306 P HA 0.101 nan 4.420 nan 0.000 0.265 306 P C 0.547 177.904 177.300 0.095 0.000 1.193 306 P CA 1.817 64.979 63.100 0.103 0.000 0.765 306 P CB 0.700 32.451 31.700 0.084 0.000 0.823 307 G N 0.723 109.583 108.800 0.101 0.000 2.232 307 G HA2 -0.215 3.746 3.960 0.002 0.000 0.226 307 G HA3 -0.215 3.746 3.960 0.002 0.000 0.226 307 G C 0.567 175.519 174.900 0.087 0.000 0.996 307 G CA 0.362 45.513 45.100 0.085 0.000 0.626 307 G HN 0.769 nan 8.290 nan 0.000 0.509 308 T N 0.046 114.664 114.554 0.106 0.000 2.888 308 T HA 0.743 5.094 4.350 0.002 0.000 0.283 308 T C 0.521 175.310 174.700 0.148 0.000 1.013 308 T CA 1.060 63.221 62.100 0.101 0.000 0.938 308 T CB 1.201 70.110 68.868 0.069 0.000 1.298 308 T HN 1.554 nan 8.240 nan 0.000 0.580 309 S N -0.761 115.026 115.700 0.145 0.000 2.607 309 S HA 0.465 4.936 4.470 0.002 0.000 0.273 309 S C 1.118 175.846 174.600 0.212 0.000 1.148 309 S CA -0.856 57.456 58.200 0.187 0.000 0.833 309 S CB 0.595 63.877 63.200 0.135 0.000 1.130 309 S HN 0.600 nan 8.310 nan 0.000 0.470 310 I N 0.667 121.383 120.570 0.244 0.000 2.208 310 I HA -0.157 4.014 4.170 0.002 0.000 0.245 310 I C 2.409 178.585 176.117 0.099 0.000 1.097 310 I CA 1.241 62.678 61.300 0.229 0.000 1.363 310 I CB -0.380 37.684 38.000 0.108 0.000 1.051 310 I HN 0.647 nan 8.210 nan 0.000 0.413 311 L N 1.021 122.285 121.223 0.069 0.000 2.012 311 L HA -0.256 4.085 4.340 0.002 0.000 0.210 311 L C 2.454 179.333 176.870 0.015 0.000 1.073 311 L CA 2.033 56.894 54.840 0.035 0.000 0.748 311 L CB -0.671 41.410 42.059 0.037 0.000 0.891 311 L HN 0.254 nan 8.230 nan 0.000 0.431 312 E N -1.145 119.063 120.200 0.015 0.000 2.051 312 E HA -0.183 4.168 4.350 0.002 0.000 0.192 312 E C 2.045 178.605 176.600 -0.067 0.000 0.991 312 E CA 1.630 58.020 56.400 -0.016 0.000 0.799 312 E CB -0.033 29.664 29.700 -0.004 0.000 0.748 312 E HN 0.397 nan 8.360 nan 0.000 0.449 313 V N 0.668 120.510 119.914 -0.120 0.000 2.427 313 V HA -0.221 3.900 4.120 0.002 0.000 0.248 313 V C 2.321 178.327 176.094 -0.147 0.000 1.051 313 V CA 2.037 64.193 62.300 -0.239 0.000 1.048 313 V CB -0.667 30.789 31.823 -0.612 0.000 0.666 313 V HN 0.374 nan 8.190 nan 0.000 0.456 314 T N 0.560 115.077 114.554 -0.062 0.000 2.720 314 T HA -0.162 4.189 4.350 0.002 0.000 0.268 314 T C 1.949 176.625 174.700 -0.041 0.000 1.037 314 T CA 1.647 63.743 62.100 -0.008 0.000 1.144 314 T CB -0.673 68.222 68.868 0.045 0.000 0.864 314 T HN 0.631 nan 8.240 nan 0.000 0.444 315 G N 1.624 110.395 108.800 -0.049 0.000 2.440 315 G HA2 -0.235 3.726 3.960 0.002 0.000 0.218 315 G HA3 -0.235 3.726 3.960 0.002 0.000 0.218 315 G C 1.566 176.413 174.900 -0.088 0.000 1.154 315 G CA 0.690 45.754 45.100 -0.062 0.000 0.767 315 G HN 0.384 nan 8.290 nan 0.000 0.552 316 E N 0.358 120.500 120.200 -0.096 0.000 2.072 316 E HA -0.065 4.287 4.350 0.002 0.000 0.191 316 E C 2.874 179.398 176.600 -0.128 0.000 0.985 316 E CA 0.627 56.963 56.400 -0.107 0.000 0.801 316 E CB -0.662 28.970 29.700 -0.114 0.000 0.750 316 E HN 0.323 nan 8.360 nan 0.000 0.452 317 V N 1.078 120.908 119.914 -0.139 0.000 2.343 317 V HA -0.202 3.919 4.120 0.002 0.000 0.247 317 V C 2.563 178.535 176.094 -0.204 0.000 1.051 317 V CA 1.203 63.399 62.300 -0.173 0.000 1.036 317 V CB -0.479 31.240 31.823 -0.172 0.000 0.654 317 V HN 0.059 nan 8.190 nan 0.000 0.451 318 V N 0.094 119.886 119.914 -0.203 0.000 2.332 318 V HA -0.305 3.816 4.120 0.002 0.000 0.248 318 V C 2.576 178.533 176.094 -0.229 0.000 1.055 318 V CA 2.526 64.634 62.300 -0.319 0.000 1.038 318 V CB -0.780 30.793 31.823 -0.416 0.000 0.651 318 V HN 0.533 nan 8.190 nan 0.000 0.450 319 R N -0.067 120.338 120.500 -0.158 0.000 2.081 319 R HA -0.143 4.198 4.340 0.002 0.000 0.235 319 R C 2.254 178.485 176.300 -0.114 0.000 1.131 319 R CA 1.850 57.882 56.100 -0.114 0.000 0.960 319 R CB -0.344 29.903 30.300 -0.089 0.000 0.856 319 R HN 0.473 nan 8.270 nan 0.000 0.436 320 I N 0.483 120.974 120.570 -0.132 0.000 2.163 320 I HA -0.340 3.831 4.170 0.002 0.000 0.243 320 I C 2.500 178.529 176.117 -0.147 0.000 1.085 320 I CA 1.554 62.773 61.300 -0.134 0.000 1.347 320 I CB -0.174 37.737 38.000 -0.148 0.000 1.044 320 I HN 0.295 nan 8.210 nan 0.000 0.408 321 M N -0.305 119.191 119.600 -0.173 0.000 2.067 321 M HA -0.189 4.292 4.480 0.002 0.000 0.260 321 M C 2.425 178.660 176.300 -0.109 0.000 1.069 321 M CA 1.650 56.851 55.300 -0.164 0.000 1.117 321 M CB -0.402 32.093 32.600 -0.174 0.000 1.334 321 M HN 0.078 nan 8.290 nan 0.000 0.407 322 V N -0.238 119.628 119.914 -0.080 0.000 2.287 322 V HA -0.263 3.859 4.120 0.002 0.000 0.248 322 V C 2.364 178.423 176.094 -0.059 0.000 1.053 322 V CA 2.121 64.400 62.300 -0.035 0.000 1.027 322 V CB -0.815 31.001 31.823 -0.011 0.000 0.646 322 V HN 0.439 nan 8.190 nan 0.000 0.447 323 S N 0.622 116.278 115.700 -0.072 0.000 2.359 323 S HA -0.171 4.301 4.470 0.002 0.000 0.224 323 S C 2.084 176.633 174.600 -0.086 0.000 1.035 323 S CA 1.546 59.704 58.200 -0.070 0.000 1.018 323 S CB -0.849 62.309 63.200 -0.071 0.000 0.876 323 S HN 0.702 nan 8.310 nan 0.000 0.448 324 G N 1.437 110.171 108.800 -0.110 0.000 2.418 324 G HA2 -0.112 3.849 3.960 0.002 0.000 0.217 324 G HA3 -0.112 3.849 3.960 0.002 0.000 0.217 324 G C 1.337 176.139 174.900 -0.163 0.000 1.158 324 G CA 0.551 45.572 45.100 -0.132 0.000 0.771 324 G HN 0.432 nan 8.290 nan 0.000 0.545 325 L N 0.196 121.315 121.223 -0.174 0.000 2.141 325 L HA -0.044 4.297 4.340 0.002 0.000 0.209 325 L C 2.959 179.730 176.870 -0.165 0.000 1.094 325 L CA 0.219 54.924 54.840 -0.225 0.000 0.763 325 L CB -0.374 41.548 42.059 -0.229 0.000 0.908 325 L HN 0.083 nan 8.230 nan 0.000 0.437 326 V N -0.116 119.737 119.914 -0.102 0.000 2.295 326 V HA -0.261 3.860 4.120 0.002 0.000 0.246 326 V C 2.562 178.617 176.094 -0.066 0.000 1.049 326 V CA 1.546 63.807 62.300 -0.065 0.000 1.024 326 V CB -0.512 31.287 31.823 -0.041 0.000 0.648 326 V HN 0.403 nan 8.190 nan 0.000 0.447 327 K N 0.104 120.460 120.400 -0.073 0.000 2.113 327 K HA -0.122 4.199 4.320 0.002 0.000 0.208 327 K C 1.914 178.478 176.600 -0.061 0.000 1.047 327 K CA 1.377 57.628 56.287 -0.061 0.000 0.928 327 K CB -0.515 31.947 32.500 -0.063 0.000 0.716 327 K HN 0.420 nan 8.250 nan 0.000 0.446 328 L N -0.259 120.898 121.223 -0.110 0.000 2.554 328 L HA 0.063 4.404 4.340 0.002 0.000 0.226 328 L C 1.172 178.013 176.870 -0.048 0.000 1.137 328 L CA 0.498 55.269 54.840 -0.115 0.000 0.863 328 L CB -0.368 41.477 42.059 -0.356 0.000 0.985 328 L HN 0.386 nan 8.230 nan 0.000 0.451 329 G N 0.356 109.123 108.800 -0.055 0.000 2.143 329 G HA2 -0.299 3.662 3.960 0.002 0.000 0.248 329 G HA3 -0.299 3.662 3.960 0.002 0.000 0.248 329 G C 0.752 175.634 174.900 -0.029 0.000 0.991 329 G CA 0.484 45.576 45.100 -0.014 0.000 0.689 329 G HN 0.376 nan 8.290 nan 0.000 0.522 330 I N -0.487 120.006 120.570 -0.128 0.000 2.406 330 I HA 0.210 4.381 4.170 0.002 0.000 0.249 330 I C 1.484 177.543 176.117 -0.096 0.000 1.122 330 I CA 0.856 62.047 61.300 -0.180 0.000 1.431 330 I CB -0.030 37.704 38.000 -0.443 0.000 1.087 330 I HN 0.150 nan 8.210 nan 0.000 0.424 331 L N 0.465 121.643 121.223 -0.076 0.000 2.330 331 L HA 0.459 4.800 4.340 0.002 0.000 0.271 331 L C -0.509 176.365 176.870 0.007 0.000 1.013 331 L CA -0.680 54.167 54.840 0.013 0.000 0.816 331 L CB 1.578 43.658 42.059 0.035 0.000 1.287 331 L HN -0.071 nan 8.230 nan 0.000 0.435 332 K N 1.118 121.534 120.400 0.027 0.000 2.443 332 K HA 0.795 5.116 4.320 0.002 0.000 0.252 332 K C -0.375 176.237 176.600 0.020 0.000 0.933 332 K CA -0.598 55.700 56.287 0.018 0.000 0.792 332 K CB 2.422 34.935 32.500 0.022 0.000 1.185 332 K HN 0.831 nan 8.250 nan 0.000 0.425 333 G N 1.916 110.723 108.800 0.012 0.000 2.316 333 G HA2 -0.146 3.815 3.960 0.002 0.000 0.349 333 G HA3 -0.146 3.815 3.960 0.002 0.000 0.349 333 G C -1.812 173.091 174.900 0.006 0.000 1.274 333 G CA -0.971 44.136 45.100 0.011 0.000 1.018 333 G HN 0.659 nan 8.290 nan 0.000 0.486 334 D N -0.812 119.592 120.400 0.007 0.000 2.308 334 D HA 0.487 5.128 4.640 0.002 0.000 0.251 334 D C 1.673 177.975 176.300 0.004 0.000 1.127 334 D CA 0.152 54.153 54.000 0.003 0.000 0.876 334 D CB 1.614 42.416 40.800 0.003 0.000 1.176 334 D HN 0.374 nan 8.370 nan 0.000 0.446 335 V N 3.714 123.626 119.914 -0.003 0.000 2.287 335 V HA -0.239 3.882 4.120 0.002 0.000 0.248 335 V C 1.606 177.700 176.094 -0.001 0.000 1.053 335 V CA 1.854 64.150 62.300 -0.005 0.000 1.027 335 V CB -0.436 31.376 31.823 -0.018 0.000 0.646 335 V HN 0.706 nan 8.190 nan 0.000 0.447 336 D N -0.371 120.027 120.400 -0.003 0.000 2.117 336 D HA -0.168 4.473 4.640 0.002 0.000 0.197 336 D C 2.171 178.476 176.300 0.008 0.000 0.987 336 D CA 1.334 55.334 54.000 -0.001 0.000 0.829 336 D CB -0.114 40.684 40.800 -0.004 0.000 0.961 336 D HN 0.587 nan 8.370 nan 0.000 0.460 337 E N 0.429 120.635 120.200 0.010 0.000 2.072 337 E HA -0.081 4.270 4.350 0.002 0.000 0.191 337 E C 2.443 179.058 176.600 0.025 0.000 0.985 337 E CA 0.336 56.745 56.400 0.015 0.000 0.801 337 E CB -0.041 29.666 29.700 0.012 0.000 0.750 337 E HN 0.229 nan 8.360 nan 0.000 0.452 338 L N 0.697 121.938 121.223 0.030 0.000 2.046 338 L HA -0.205 4.136 4.340 0.002 0.000 0.208 338 L C 2.439 179.352 176.870 0.072 0.000 1.077 338 L CA 0.996 55.867 54.840 0.050 0.000 0.747 338 L CB -0.346 41.743 42.059 0.051 0.000 0.896 338 L HN 0.166 nan 8.230 nan 0.000 0.432 339 I N -0.174 120.427 120.570 0.052 0.000 2.226 339 I HA -0.299 3.873 4.170 0.002 0.000 0.245 339 I C 2.772 178.926 176.117 0.062 0.000 1.100 339 I CA 1.220 62.553 61.300 0.055 0.000 1.374 339 I CB -0.450 37.554 38.000 0.006 0.000 1.057 339 I HN 0.207 nan 8.210 nan 0.000 0.413 340 A N 0.654 123.497 122.820 0.039 0.000 1.972 340 A HA -0.224 4.097 4.320 0.002 0.000 0.219 340 A C 2.101 179.706 177.584 0.036 0.000 1.169 340 A CA 1.661 53.717 52.037 0.031 0.000 0.635 340 A CB -0.585 18.426 19.000 0.019 0.000 0.810 340 A HN 0.676 nan 8.150 nan 0.000 0.446 341 Q N -0.949 118.876 119.800 0.041 0.000 2.222 341 Q HA 0.107 4.448 4.340 0.002 0.000 0.206 341 Q C -0.578 175.442 176.000 0.034 0.000 0.877 341 Q CA -0.065 55.755 55.803 0.029 0.000 0.958 341 Q CB -0.284 28.466 28.738 0.019 0.000 1.075 341 Q HN 0.511 nan 8.270 nan 0.000 0.483 342 N N 0.754 119.505 118.700 0.085 0.000 2.714 342 N HA -0.228 4.513 4.740 0.002 0.000 0.252 342 N C 0.441 175.956 175.510 0.008 0.000 1.014 342 N CA 0.828 53.945 53.050 0.112 0.000 0.735 342 N CB -0.800 37.686 38.487 -0.000 0.000 0.924 342 N HN 0.603 nan 8.380 nan 0.000 0.540 343 A N 0.360 123.255 122.820 0.124 0.000 2.168 343 A HA -0.158 4.163 4.320 0.002 0.000 0.215 343 A C 1.845 179.517 177.584 0.147 0.000 1.152 343 A CA 1.355 53.447 52.037 0.091 0.000 0.716 343 A CB -0.474 18.595 19.000 0.115 0.000 0.794 343 A HN 0.714 nan 8.150 nan 0.000 0.465 344 H N -1.056 118.091 119.070 0.128 0.000 2.524 344 H HA 0.068 4.625 4.556 0.002 0.000 0.282 344 H C 1.634 177.062 175.328 0.166 0.000 1.016 344 H CA 0.886 57.066 56.048 0.221 0.000 1.270 344 H CB -0.324 29.550 29.762 0.186 0.000 1.394 344 H HN 0.320 nan 8.280 nan 0.000 0.568 345 R N 0.911 121.065 120.500 -0.577 0.000 2.103 345 R HA -0.071 4.270 4.340 0.002 0.000 0.242 345 R C -0.520 175.596 176.300 -0.307 0.000 1.142 345 R CA 1.267 57.074 56.100 -0.489 0.000 0.960 345 R CB -1.477 28.566 30.300 -0.429 0.000 0.858 345 R HN 0.448 nan 8.270 nan 0.000 0.439 346 P HA -0.115 nan 4.420 nan 0.000 0.219 346 P C 0.729 177.682 177.300 -0.578 0.000 1.146 346 P CA 1.324 64.064 63.100 -0.600 0.000 0.808 346 P CB -0.076 31.047 31.700 -0.962 0.000 0.779 347 F N -3.697 116.300 119.950 0.079 0.000 2.717 347 F HA 0.313 4.842 4.527 0.002 0.000 0.297 347 F C 0.791 176.768 175.800 0.295 0.000 1.113 347 F CA -0.065 58.027 58.000 0.154 0.000 1.319 347 F CB 0.051 39.103 39.000 0.088 0.000 1.097 347 F HN -0.243 nan 8.300 nan 0.000 0.595 348 F N 2.640 122.698 119.950 0.179 0.000 2.949 348 F HA 0.341 4.870 4.527 0.003 0.000 0.376 348 F C 0.318 176.110 175.800 -0.015 0.000 1.205 348 F CA -1.559 56.507 58.000 0.109 0.000 1.155 348 F CB 0.910 39.973 39.000 0.104 0.000 1.495 348 F HN -0.052 nan 8.300 nan 0.000 0.551 349 M N 2.796 122.234 119.600 -0.271 0.000 2.333 349 M HA 0.304 4.785 4.480 0.002 0.000 0.257 349 M C -0.887 175.209 176.300 -0.341 0.000 1.078 349 M CA 0.432 55.552 55.300 -0.301 0.000 1.005 349 M CB -1.545 30.967 32.600 -0.146 0.000 1.444 349 M HN 0.570 nan 8.290 nan 0.000 0.496 350 H N -1.035 117.741 119.070 -0.490 0.000 2.771 350 H HA 0.852 5.409 4.556 0.002 0.000 0.344 350 H C 0.145 175.176 175.328 -0.496 0.000 1.260 350 H CA -0.679 55.146 56.048 -0.373 0.000 1.276 350 H CB 0.120 29.773 29.762 -0.182 0.000 1.881 350 H HN 0.073 nan 8.280 nan 0.000 0.615 351 G N -0.317 108.457 108.800 -0.043 0.000 2.539 351 G HA2 0.222 4.183 3.960 0.002 0.000 0.258 351 G HA3 0.222 4.183 3.960 0.002 0.000 0.258 351 G C 0.309 175.342 174.900 0.222 0.000 1.202 351 G CA -0.407 44.674 45.100 -0.032 0.000 0.851 351 G HN 0.674 nan 8.290 nan 0.000 0.556 352 L N 0.226 121.587 121.223 0.229 0.000 2.217 352 L HA 0.252 4.593 4.340 0.002 0.000 0.211 352 L C 0.945 177.934 176.870 0.200 0.000 1.107 352 L CA 1.234 56.267 54.840 0.323 0.000 0.783 352 L CB -0.016 42.198 42.059 0.258 0.000 0.919 352 L HN 0.389 nan 8.230 nan 0.000 0.442 353 S N -1.964 113.787 115.700 0.085 0.000 2.533 353 S HA 0.564 5.036 4.470 0.002 0.000 0.271 353 S C -1.478 173.053 174.600 -0.115 0.000 1.143 353 S CA -0.609 57.562 58.200 -0.048 0.000 0.891 353 S CB 1.372 64.543 63.200 -0.048 0.000 1.105 353 S HN 0.526 nan 8.310 nan 0.000 0.468 354 H N -1.557 117.464 119.070 -0.081 0.000 2.865 354 H HA 0.694 5.252 4.556 0.003 0.000 0.372 354 H C -1.371 173.979 175.328 0.036 0.000 1.173 354 H CA -1.174 54.830 56.048 -0.072 0.000 1.147 354 H CB 0.325 30.054 29.762 -0.055 0.000 1.805 354 H HN 0.650 nan 8.280 nan 0.000 0.553 355 W N 1.357 122.850 121.300 0.322 0.000 2.148 355 W HA 0.319 4.979 4.660 0.001 0.000 0.347 355 W C -0.542 176.105 176.519 0.214 0.000 1.288 355 W CA -0.629 56.772 57.345 0.092 0.000 1.252 355 W CB 0.456 29.868 29.460 -0.079 0.000 1.156 355 W HN 0.440 nan 8.180 nan 0.000 0.580 356 L N 2.377 123.816 121.223 0.360 0.000 2.401 356 L HA 0.885 5.227 4.340 0.002 0.000 0.266 356 L C 0.062 177.056 176.870 0.206 0.000 0.991 356 L CA -0.050 54.956 54.840 0.276 0.000 0.818 356 L CB 1.786 43.962 42.059 0.196 0.000 1.321 356 L HN 0.626 nan 8.230 nan 0.000 0.413 357 G N 2.759 111.680 108.800 0.203 0.000 2.725 357 G HA2 0.080 4.041 3.960 0.002 0.000 0.098 357 G HA3 0.080 4.041 3.960 0.002 0.000 0.098 357 G C 0.142 175.126 174.900 0.139 0.000 1.188 357 G CA -0.101 45.143 45.100 0.240 0.000 1.237 357 G HN 0.541 nan 8.290 nan 0.000 0.596 358 L N 1.117 122.304 121.223 -0.061 0.000 2.275 358 L HA 0.186 4.527 4.340 0.002 0.000 0.215 358 L C 0.149 176.945 176.870 -0.122 0.000 1.119 358 L CA 0.997 55.685 54.840 -0.254 0.000 0.790 358 L CB -0.177 41.732 42.059 -0.250 0.000 0.919 358 L HN 0.225 nan 8.230 nan 0.000 0.443 359 D N -1.655 118.719 120.400 -0.043 0.000 2.342 359 D HA 0.096 4.737 4.640 0.002 0.000 0.243 359 D C 0.603 176.926 176.300 0.038 0.000 1.019 359 D CA -0.207 53.779 54.000 -0.024 0.000 0.864 359 D CB 3.170 43.949 40.800 -0.034 0.000 1.315 359 D HN -0.296 nan 8.370 nan 0.000 0.468 360 V N 2.081 121.994 119.914 -0.002 0.000 2.343 360 V HA -0.176 3.945 4.120 0.002 0.000 0.247 360 V C 0.401 176.528 176.094 0.055 0.000 1.051 360 V CA 1.643 63.956 62.300 0.021 0.000 1.036 360 V CB -0.348 31.421 31.823 -0.089 0.000 0.654 360 V HN 0.480 nan 8.190 nan 0.000 0.451 361 H N 0.659 119.674 119.070 -0.093 0.000 2.818 361 H HA 0.309 4.866 4.556 0.001 0.000 0.269 361 H C -0.622 174.742 175.328 0.060 0.000 1.277 361 H CA -0.713 55.267 56.048 -0.113 0.000 1.290 361 H CB 0.445 30.076 29.762 -0.219 0.000 1.479 361 H HN 0.386 nan 8.280 nan 0.000 0.507 362 D N 1.899 122.482 120.400 0.305 0.000 2.358 362 D HA 0.060 4.701 4.640 0.002 0.000 0.244 362 D C 0.214 176.613 176.300 0.165 0.000 1.163 362 D CA -0.568 53.543 54.000 0.184 0.000 0.945 362 D CB 1.181 42.087 40.800 0.177 0.000 1.152 362 D HN 0.269 nan 8.370 nan 0.000 0.451 363 V N -1.084 118.801 119.914 -0.048 0.000 3.185 363 V HA 0.789 4.910 4.120 0.002 0.000 0.305 363 V C 0.555 176.556 176.094 -0.156 0.000 1.090 363 V CA 0.095 62.297 62.300 -0.163 0.000 1.107 363 V CB 0.370 31.823 31.823 -0.617 0.000 1.061 363 V HN 0.837 nan 8.190 nan 0.000 0.480 364 G N 1.079 109.826 108.800 -0.089 0.000 2.535 364 G HA2 0.190 4.151 3.960 0.002 0.000 0.662 364 G HA3 0.190 4.151 3.960 0.002 0.000 0.662 364 G C -1.121 173.771 174.900 -0.012 0.000 1.417 364 G CA -0.458 44.507 45.100 -0.225 0.000 0.866 364 G HN 1.361 nan 8.290 nan 0.000 0.647 365 V N 2.571 122.503 119.914 0.030 0.000 2.521 365 V HA 0.232 4.353 4.120 0.002 0.000 0.286 365 V C 1.080 177.332 176.094 0.264 0.000 1.034 365 V CA 0.407 62.803 62.300 0.159 0.000 1.045 365 V CB 0.861 32.764 31.823 0.133 0.000 0.974 365 V HN 0.698 nan 8.190 nan 0.000 0.480 366 Y N 2.979 123.491 120.300 0.353 0.000 2.503 366 Y HA 0.384 4.934 4.550 0.001 0.000 0.278 366 Y C 1.560 177.570 175.900 0.183 0.000 1.111 366 Y CA 0.863 59.136 58.100 0.288 0.000 1.270 366 Y CB -0.146 38.345 38.460 0.052 0.000 1.063 366 Y HN 0.914 nan 8.280 nan 0.000 0.548 367 G N 0.902 109.876 108.800 0.290 0.000 2.758 367 G HA2 -0.290 3.671 3.960 0.002 0.000 0.686 367 G HA3 -0.290 3.671 3.960 0.002 0.000 0.686 367 G C -0.555 174.433 174.900 0.148 0.000 1.389 367 G CA -0.508 44.706 45.100 0.189 0.000 0.845 367 G HN 0.260 nan 8.290 nan 0.000 0.572 368 Q N 0.509 120.369 119.800 0.099 0.000 2.263 368 Q HA 0.309 4.650 4.340 0.002 0.000 0.289 368 Q C 0.584 176.613 176.000 0.049 0.000 1.061 368 Q CA 0.915 56.756 55.803 0.063 0.000 0.927 368 Q CB 0.049 28.817 28.738 0.048 0.000 1.154 368 Q HN 0.650 nan 8.270 nan 0.000 0.378 369 D N 3.774 124.185 120.400 0.018 0.000 2.911 369 D HA -0.241 4.400 4.640 0.002 0.000 0.227 369 D C -0.610 175.687 176.300 -0.005 0.000 1.164 369 D CA 1.292 55.287 54.000 -0.008 0.000 0.782 369 D CB -0.636 40.165 40.800 0.001 0.000 1.094 369 D HN 0.908 nan 8.370 nan 0.000 0.425 370 R N -1.934 118.578 120.500 0.020 0.000 3.422 370 R HA -0.218 4.123 4.340 0.002 0.000 0.267 370 R C 1.058 177.419 176.300 0.102 0.000 1.074 370 R CA 1.021 57.158 56.100 0.063 0.000 0.718 370 R CB -2.826 27.428 30.300 -0.075 0.000 1.157 370 R HN 0.467 nan 8.270 nan 0.000 0.440 371 S N -0.728 115.038 115.700 0.111 0.000 2.593 371 S HA -0.010 4.461 4.470 0.002 0.000 0.217 371 S C 0.914 175.596 174.600 0.138 0.000 0.966 371 S CA -0.296 57.968 58.200 0.106 0.000 0.914 371 S CB 0.288 63.536 63.200 0.080 0.000 0.776 371 S HN 0.443 nan 8.310 nan 0.000 0.523 372 R N 1.605 122.218 120.500 0.187 0.000 2.585 372 R HA 0.095 4.436 4.340 0.002 0.000 0.275 372 R C -0.279 176.143 176.300 0.203 0.000 1.018 372 R CA -0.278 55.946 56.100 0.206 0.000 1.072 372 R CB 0.121 30.589 30.300 0.282 0.000 0.953 372 R HN 0.204 nan 8.270 nan 0.000 0.419 373 I N 6.276 126.946 120.570 0.166 0.000 2.598 373 I HA -0.027 4.144 4.170 0.002 0.000 0.284 373 I C 0.673 176.896 176.117 0.176 0.000 1.140 373 I CA 0.148 61.540 61.300 0.154 0.000 1.420 373 I CB 0.035 38.107 38.000 0.120 0.000 1.387 373 I HN 0.584 nan 8.210 nan 0.000 0.553 374 L N 7.169 128.503 121.223 0.184 0.000 2.439 374 L HA 0.241 4.582 4.340 0.002 0.000 0.269 374 L C 0.520 177.477 176.870 0.145 0.000 1.179 374 L CA -0.017 54.929 54.840 0.176 0.000 0.828 374 L CB 0.377 42.553 42.059 0.195 0.000 1.106 374 L HN 0.593 nan 8.230 nan 0.000 0.467 375 E N 2.305 122.585 120.200 0.134 0.000 2.393 375 E HA 0.387 4.738 4.350 0.002 0.000 0.273 375 E C -2.550 174.143 176.600 0.155 0.000 0.918 375 E CA -2.146 54.360 56.400 0.176 0.000 0.773 375 E CB 1.964 31.853 29.700 0.314 0.000 1.275 375 E HN 0.299 nan 8.360 nan 0.000 0.451 376 P HA -0.001 nan 4.420 nan 0.000 0.264 376 P C 0.537 177.934 177.300 0.162 0.000 1.183 376 P CA 1.151 64.320 63.100 0.116 0.000 0.763 376 P CB 0.408 32.164 31.700 0.092 0.000 0.807 377 G N 1.782 110.631 108.800 0.082 0.000 2.232 377 G HA2 -0.239 3.722 3.960 0.002 0.000 0.226 377 G HA3 -0.239 3.722 3.960 0.002 0.000 0.226 377 G C 0.177 175.027 174.900 -0.082 0.000 0.996 377 G CA -0.348 44.794 45.100 0.069 0.000 0.626 377 G HN 0.450 nan 8.290 nan 0.000 0.509 378 M N 1.224 120.708 119.600 -0.194 0.000 2.228 378 M HA 0.497 4.979 4.480 0.002 0.000 0.351 378 M C 0.077 176.309 176.300 -0.113 0.000 1.233 378 M CA 0.156 55.264 55.300 -0.320 0.000 1.129 378 M CB 1.517 33.902 32.600 -0.359 0.000 1.604 378 M HN -0.039 nan 8.290 nan 0.000 0.457 379 V N 5.461 125.333 119.914 -0.069 0.000 2.540 379 V HA 0.702 4.823 4.120 0.002 0.000 0.302 379 V C -0.379 175.782 176.094 0.112 0.000 1.035 379 V CA -0.741 61.568 62.300 0.015 0.000 0.873 379 V CB 1.627 33.464 31.823 0.024 0.000 0.992 379 V HN 0.833 nan 8.190 nan 0.000 0.428 380 L N 2.090 123.336 121.223 0.038 0.000 2.568 380 L HA 0.946 5.287 4.340 0.002 0.000 0.257 380 L C -0.142 176.649 176.870 -0.131 0.000 1.024 380 L CA -0.709 54.126 54.840 -0.009 0.000 0.854 380 L CB 2.367 44.393 42.059 -0.055 0.000 1.460 380 L HN 0.613 nan 8.230 nan 0.000 0.409 381 T N -1.001 113.398 114.554 -0.257 0.000 2.902 381 T HA 0.752 5.103 4.350 0.002 0.000 0.280 381 T C -0.314 174.298 174.700 -0.147 0.000 0.992 381 T CA -0.690 61.269 62.100 -0.235 0.000 1.015 381 T CB 1.725 70.344 68.868 -0.415 0.000 1.044 381 T HN 0.544 nan 8.240 nan 0.000 0.520 382 V N 2.698 122.592 119.914 -0.033 0.000 2.447 382 V HA 0.479 4.600 4.120 0.002 0.000 0.292 382 V C -0.293 175.850 176.094 0.081 0.000 1.021 382 V CA -0.756 61.588 62.300 0.073 0.000 0.850 382 V CB 1.009 32.914 31.823 0.137 0.000 1.005 382 V HN 1.116 nan 8.190 nan 0.000 0.426 383 E N 4.558 124.839 120.200 0.134 0.000 3.626 383 E HA 0.339 4.691 4.350 0.002 0.000 0.245 383 E C -3.051 173.712 176.600 0.271 0.000 1.236 383 E CA -1.570 54.940 56.400 0.184 0.000 1.072 383 E CB 1.742 31.566 29.700 0.207 0.000 1.309 383 E HN 0.473 nan 8.360 nan 0.000 0.400 384 P HA 0.295 nan 4.420 nan 0.000 0.272 384 P C 0.157 177.395 177.300 -0.104 0.000 1.223 384 P CA 0.318 63.316 63.100 -0.169 0.000 0.784 384 P CB 1.553 33.066 31.700 -0.312 0.000 0.923 385 G N 0.889 109.533 108.800 -0.260 0.000 2.677 385 G HA2 0.605 4.567 3.960 0.002 0.000 0.291 385 G HA3 0.605 4.567 3.960 0.002 0.000 0.291 385 G C -2.080 172.519 174.900 -0.502 0.000 1.435 385 G CA -0.671 44.263 45.100 -0.276 0.000 0.826 385 G HN 0.424 nan 8.290 nan 0.000 0.491 386 L N 0.316 121.107 121.223 -0.721 0.000 2.410 386 L HA 0.538 4.879 4.340 0.002 0.000 0.270 386 L C -1.521 174.965 176.870 -0.638 0.000 0.983 386 L CA -0.860 53.690 54.840 -0.483 0.000 0.822 386 L CB 2.347 44.246 42.059 -0.268 0.000 1.285 386 L HN 0.599 nan 8.230 nan 0.000 0.409 387 Y N 3.941 124.365 120.300 0.207 0.000 2.327 387 Y HA 0.492 5.044 4.550 0.003 0.000 0.325 387 Y C -0.307 175.752 175.900 0.264 0.000 0.999 387 Y CA -0.950 57.263 58.100 0.187 0.000 1.195 387 Y CB 1.504 40.061 38.460 0.162 0.000 1.132 387 Y HN 0.221 nan 8.280 nan 0.000 0.455 388 I N 3.212 123.967 120.570 0.308 0.000 2.328 388 I HA 0.485 4.656 4.170 0.002 0.000 0.287 388 I C 0.587 176.847 176.117 0.239 0.000 1.012 388 I CA -1.033 60.460 61.300 0.323 0.000 1.195 388 I CB 0.790 38.899 38.000 0.182 0.000 1.350 388 I HN 0.716 nan 8.210 nan 0.000 0.464 389 A N 8.789 131.744 122.820 0.226 0.000 2.425 389 A HA 0.387 4.708 4.320 0.002 0.000 0.242 389 A C -1.361 176.291 177.584 0.114 0.000 1.077 389 A CA -0.772 51.348 52.037 0.139 0.000 0.781 389 A CB -0.215 18.844 19.000 0.098 0.000 1.020 389 A HN 0.560 nan 8.150 nan 0.000 0.494 390 P HA -0.145 nan 4.420 nan 0.000 0.218 390 P C 0.437 177.770 177.300 0.056 0.000 1.146 390 P CA 1.748 64.883 63.100 0.057 0.000 0.813 390 P CB 0.093 31.815 31.700 0.036 0.000 0.778 391 D N -1.857 118.578 120.400 0.058 0.000 2.402 391 D HA 0.157 4.798 4.640 0.002 0.000 0.216 391 D C 0.337 176.677 176.300 0.067 0.000 1.128 391 D CA -0.454 53.577 54.000 0.051 0.000 0.833 391 D CB -0.586 40.236 40.800 0.036 0.000 0.971 391 D HN -0.040 nan 8.370 nan 0.000 0.503 392 A N 0.767 123.647 122.820 0.100 0.000 2.498 392 A HA 0.107 4.428 4.320 0.002 0.000 0.239 392 A C 0.438 178.097 177.584 0.125 0.000 1.068 392 A CA -0.203 51.918 52.037 0.139 0.000 0.766 392 A CB 0.080 19.226 19.000 0.243 0.000 1.003 392 A HN 0.204 nan 8.150 nan 0.000 0.497 393 E N 0.988 121.261 120.200 0.122 0.000 2.148 393 E HA 0.304 4.655 4.350 0.002 0.000 0.308 393 E C -0.169 176.502 176.600 0.118 0.000 1.278 393 E CA -0.181 56.278 56.400 0.098 0.000 1.368 393 E CB -0.296 29.450 29.700 0.076 0.000 1.229 393 E HN 0.560 nan 8.360 nan 0.000 0.494 394 V N -1.501 118.486 119.914 0.121 0.000 3.160 394 V HA 0.601 4.722 4.120 0.002 0.000 0.310 394 V C -2.803 173.362 176.094 0.118 0.000 1.181 394 V CA -3.181 59.193 62.300 0.124 0.000 1.047 394 V CB 1.607 33.509 31.823 0.131 0.000 1.068 394 V HN 0.049 nan 8.190 nan 0.000 0.441 395 P HA 0.076 nan 4.420 nan 0.000 0.264 395 P C 0.773 178.074 177.300 0.001 0.000 1.183 395 P CA 0.370 63.516 63.100 0.077 0.000 0.763 395 P CB 0.465 32.235 31.700 0.117 0.000 0.807 396 E N 3.661 123.830 120.200 -0.051 0.000 2.130 396 E HA -0.280 4.071 4.350 0.002 0.000 0.196 396 E C 1.471 177.997 176.600 -0.123 0.000 0.998 396 E CA 1.547 57.912 56.400 -0.058 0.000 0.806 396 E CB -0.040 29.629 29.700 -0.053 0.000 0.738 396 E HN 0.529 nan 8.360 nan 0.000 0.459 397 Q N -0.547 119.083 119.800 -0.283 0.000 2.364 397 Q HA -0.174 4.167 4.340 0.002 0.000 0.209 397 Q C 1.121 176.896 176.000 -0.375 0.000 0.977 397 Q CA 1.162 56.740 55.803 -0.375 0.000 0.885 397 Q CB -0.583 27.849 28.738 -0.509 0.000 0.941 397 Q HN 0.422 nan 8.270 nan 0.000 0.464 398 Y N 0.913 121.209 120.300 -0.007 0.000 2.478 398 Y HA 0.318 4.869 4.550 0.002 0.000 0.261 398 Y C 0.702 176.607 175.900 0.008 0.000 1.127 398 Y CA -0.608 57.484 58.100 -0.013 0.000 1.288 398 Y CB 0.264 38.694 38.460 -0.049 0.000 1.084 398 Y HN -0.040 nan 8.280 nan 0.000 0.530 399 R N 0.439 121.010 120.500 0.119 0.000 2.537 399 R HA 0.320 4.662 4.340 0.002 0.000 0.280 399 R C 1.168 177.516 176.300 0.081 0.000 1.058 399 R CA 0.843 57.005 56.100 0.104 0.000 1.057 399 R CB -0.003 30.339 30.300 0.070 0.000 0.973 399 R HN 0.472 nan 8.270 nan 0.000 0.438 400 G N 2.602 111.457 108.800 0.093 0.000 2.143 400 G HA2 -0.272 3.689 3.960 0.002 0.000 0.248 400 G HA3 -0.272 3.689 3.960 0.002 0.000 0.248 400 G C 0.091 175.035 174.900 0.073 0.000 0.991 400 G CA -0.369 44.773 45.100 0.070 0.000 0.689 400 G HN 0.530 nan 8.290 nan 0.000 0.522 401 I N 1.131 121.762 120.570 0.103 0.000 2.336 401 I HA 0.564 4.735 4.170 0.002 0.000 0.292 401 I C 0.826 177.014 176.117 0.119 0.000 0.991 401 I CA -0.244 61.117 61.300 0.101 0.000 1.227 401 I CB 1.728 39.797 38.000 0.116 0.000 1.366 401 I HN 0.143 nan 8.210 nan 0.000 0.466 402 G N 7.690 116.564 108.800 0.124 0.000 2.644 402 G HA2 0.736 4.697 3.960 0.002 0.000 0.300 402 G HA3 0.736 4.697 3.960 0.002 0.000 0.300 402 G C -0.919 174.048 174.900 0.111 0.000 1.395 402 G CA -0.292 44.921 45.100 0.188 0.000 0.964 402 G HN 0.471 nan 8.290 nan 0.000 0.511 403 I N 1.673 122.215 120.570 -0.047 0.000 2.499 403 I HA 0.559 4.730 4.170 0.002 0.000 0.288 403 I C -0.174 175.880 176.117 -0.105 0.000 1.048 403 I CA -0.851 60.444 61.300 -0.009 0.000 1.062 403 I CB 2.593 40.594 38.000 0.001 0.000 1.238 403 I HN 0.421 nan 8.210 nan 0.000 0.426 404 R N 6.819 127.362 120.500 0.071 0.000 2.673 404 R HA 0.769 5.110 4.340 0.002 0.000 0.281 404 R C -1.949 174.414 176.300 0.104 0.000 0.991 404 R CA -0.549 55.614 56.100 0.105 0.000 0.896 404 R CB 2.063 32.541 30.300 0.296 0.000 1.201 404 R HN 0.622 nan 8.270 nan 0.000 0.457 405 I N 2.624 123.220 120.570 0.043 0.000 2.478 405 I HA 0.355 4.526 4.170 0.002 0.000 0.287 405 I C -0.883 175.270 176.117 0.060 0.000 1.042 405 I CA -0.608 60.721 61.300 0.048 0.000 1.067 405 I CB 2.084 40.054 38.000 -0.050 0.000 1.233 405 I HN 0.622 nan 8.210 nan 0.000 0.431 406 E N 5.429 125.678 120.200 0.082 0.000 2.246 406 E HA 0.421 4.772 4.350 0.002 0.000 0.266 406 E C -1.719 174.909 176.600 0.046 0.000 0.880 406 E CA -0.570 55.877 56.400 0.078 0.000 0.762 406 E CB 1.879 31.648 29.700 0.115 0.000 1.180 406 E HN 0.458 nan 8.360 nan 0.000 0.416 407 D N 2.505 122.927 120.400 0.036 0.000 2.350 407 D HA 0.370 5.011 4.640 0.002 0.000 0.238 407 D C -1.254 175.054 176.300 0.014 0.000 0.989 407 D CA -0.388 53.626 54.000 0.025 0.000 0.921 407 D CB 1.665 42.481 40.800 0.027 0.000 1.297 407 D HN 0.359 nan 8.370 nan 0.000 0.490 408 D N 0.902 121.311 120.400 0.015 0.000 2.278 408 D HA 0.447 5.088 4.640 0.002 0.000 0.245 408 D C 0.060 176.360 176.300 0.000 0.000 1.052 408 D CA -0.340 53.663 54.000 0.006 0.000 0.834 408 D CB 1.701 42.521 40.800 0.033 0.000 1.194 408 D HN 0.336 nan 8.370 nan 0.000 0.481 409 I N -1.682 118.875 120.570 -0.021 0.000 2.892 409 I HA 0.693 4.864 4.170 0.002 0.000 0.306 409 I C -1.093 175.009 176.117 -0.025 0.000 1.078 409 I CA -1.189 60.099 61.300 -0.020 0.000 1.032 409 I CB 2.382 40.366 38.000 -0.026 0.000 1.229 409 I HN 0.088 nan 8.210 nan 0.000 0.435 410 V N 5.731 125.638 119.914 -0.012 0.000 2.495 410 V HA 0.490 4.611 4.120 0.002 0.000 0.298 410 V C -0.191 175.902 176.094 -0.002 0.000 1.031 410 V CA -0.709 61.584 62.300 -0.011 0.000 0.871 410 V CB 1.745 33.565 31.823 -0.005 0.000 0.988 410 V HN 0.560 nan 8.190 nan 0.000 0.432 411 I N 6.380 126.948 120.570 -0.003 0.000 2.471 411 I HA 0.265 4.436 4.170 0.002 0.000 0.286 411 I C 0.904 177.041 176.117 0.034 0.000 1.079 411 I CA 0.519 61.833 61.300 0.023 0.000 1.398 411 I CB 0.928 38.946 38.000 0.031 0.000 1.403 411 I HN 0.867 nan 8.210 nan 0.000 0.530 412 T N 2.460 117.040 114.554 0.042 0.000 2.922 412 T HA 0.345 4.696 4.350 0.002 0.000 0.281 412 T C 1.045 175.773 174.700 0.047 0.000 1.005 412 T CA -0.679 61.444 62.100 0.039 0.000 0.982 412 T CB 1.795 70.682 68.868 0.032 0.000 1.158 412 T HN 0.475 nan 8.240 nan 0.000 0.566 413 E N 0.648 120.872 120.200 0.040 0.000 2.171 413 E HA -0.123 4.228 4.350 0.002 0.000 0.197 413 E C 1.999 178.623 176.600 0.041 0.000 0.997 413 E CA 2.168 58.592 56.400 0.039 0.000 0.810 413 E CB -0.513 29.205 29.700 0.029 0.000 0.738 413 E HN 0.928 nan 8.360 nan 0.000 0.467 414 T N -4.378 110.200 114.554 0.039 0.000 2.975 414 T HA 0.443 4.794 4.350 0.002 0.000 0.257 414 T C 0.914 175.642 174.700 0.045 0.000 1.003 414 T CA 0.363 62.486 62.100 0.038 0.000 0.932 414 T CB 1.078 69.964 68.868 0.029 0.000 1.087 414 T HN 0.195 nan 8.240 nan 0.000 0.512 415 G N 1.780 110.611 108.800 0.051 0.000 2.929 415 G HA2 0.490 4.451 3.960 0.002 0.000 0.123 415 G HA3 0.490 4.451 3.960 0.002 0.000 0.123 415 G C -1.756 173.185 174.900 0.069 0.000 1.212 415 G CA -0.246 44.891 45.100 0.063 0.000 1.238 415 G HN 0.723 nan 8.290 nan 0.000 0.617 416 N N -0.653 118.085 118.700 0.064 0.000 2.610 416 N HA 0.536 5.277 4.740 0.002 0.000 0.264 416 N C -1.430 174.103 175.510 0.038 0.000 1.348 416 N CA -0.784 52.298 53.050 0.053 0.000 0.819 416 N CB 2.703 41.233 38.487 0.072 0.000 1.521 416 N HN 0.559 nan 8.380 nan 0.000 0.497 417 E N 0.508 120.724 120.200 0.026 0.000 2.187 417 E HA 0.249 4.600 4.350 0.002 0.000 0.268 417 E C -1.250 175.360 176.600 0.017 0.000 0.896 417 E CA -0.764 55.648 56.400 0.020 0.000 0.766 417 E CB 0.928 30.635 29.700 0.013 0.000 1.142 417 E HN 0.565 nan 8.360 nan 0.000 0.408 418 N N 4.969 123.680 118.700 0.019 0.000 2.414 418 N HA 0.122 4.863 4.740 0.002 0.000 0.256 418 N C 0.505 176.022 175.510 0.012 0.000 1.029 418 N CA -0.046 53.015 53.050 0.018 0.000 0.948 418 N CB 0.790 39.291 38.487 0.023 0.000 1.102 418 N HN 0.618 nan 8.380 nan 0.000 0.496 419 L N 1.967 123.196 121.223 0.010 0.000 2.554 419 L HA 0.061 4.402 4.340 0.002 0.000 0.226 419 L C 1.224 178.099 176.870 0.007 0.000 1.137 419 L CA 0.685 55.529 54.840 0.006 0.000 0.863 419 L CB -0.131 41.933 42.059 0.007 0.000 0.985 419 L HN 0.601 nan 8.230 nan 0.000 0.451 420 T N -5.196 109.365 114.554 0.012 0.000 3.231 420 T HA 0.337 4.688 4.350 0.002 0.000 0.292 420 T C 1.284 175.993 174.700 0.015 0.000 1.001 420 T CA 0.311 62.418 62.100 0.013 0.000 0.920 420 T CB 0.693 69.568 68.868 0.012 0.000 1.140 420 T HN 0.101 nan 8.240 nan 0.000 0.525 421 A N 1.929 124.759 122.820 0.016 0.000 2.209 421 A HA 0.143 4.464 4.320 0.002 0.000 0.212 421 A C 2.346 179.943 177.584 0.022 0.000 1.158 421 A CA 1.044 53.093 52.037 0.021 0.000 0.742 421 A CB -0.743 18.268 19.000 0.019 0.000 0.790 421 A HN 0.718 nan 8.150 nan 0.000 0.472 422 S N -1.064 114.647 115.700 0.018 0.000 2.607 422 S HA 0.167 4.638 4.470 0.002 0.000 0.224 422 S C 0.497 175.115 174.600 0.030 0.000 0.969 422 S CA 0.438 58.649 58.200 0.019 0.000 0.927 422 S CB -0.550 62.656 63.200 0.010 0.000 0.772 422 S HN 0.469 nan 8.310 nan 0.000 0.533 423 V N 3.280 123.217 119.914 0.038 0.000 2.427 423 V HA 0.594 4.715 4.120 0.002 0.000 0.286 423 V C 0.150 176.276 176.094 0.053 0.000 1.034 423 V CA -0.937 61.393 62.300 0.051 0.000 0.893 423 V CB 1.482 33.350 31.823 0.075 0.000 0.982 423 V HN 0.418 nan 8.190 nan 0.000 0.452 424 V N 4.827 124.772 119.914 0.052 0.000 2.963 424 V HA 0.457 4.578 4.120 0.002 0.000 0.306 424 V C 0.662 176.818 176.094 0.103 0.000 1.077 424 V CA 0.725 63.062 62.300 0.062 0.000 1.124 424 V CB 0.686 32.537 31.823 0.047 0.000 0.987 424 V HN 1.082 nan 8.190 nan 0.000 0.487 425 K N 0.655 121.129 120.400 0.123 0.000 2.567 425 K HA 0.346 4.667 4.320 0.002 0.000 0.218 425 K C 0.342 177.087 176.600 0.242 0.000 1.440 425 K CA -0.597 55.815 56.287 0.208 0.000 0.995 425 K CB 0.335 32.939 32.500 0.172 0.000 1.186 425 K HN 0.559 nan 8.250 nan 0.000 0.593 426 K N 2.823 123.306 120.400 0.139 0.000 2.401 426 K HA 0.093 4.414 4.320 0.002 0.000 0.278 426 K C -1.895 174.733 176.600 0.047 0.000 1.018 426 K CA -1.714 54.635 56.287 0.103 0.000 0.981 426 K CB 0.872 33.403 32.500 0.053 0.000 0.933 426 K HN -0.126 nan 8.250 nan 0.000 0.477 427 P HA -0.190 nan 4.420 nan 0.000 0.216 427 P C 0.237 177.536 177.300 -0.002 0.000 1.150 427 P CA 1.447 64.403 63.100 -0.241 0.000 0.837 427 P CB 0.254 31.518 31.700 -0.727 0.000 0.786 428 E N 0.419 120.612 120.200 -0.012 0.000 2.150 428 E HA -0.154 4.197 4.350 0.002 0.000 0.193 428 E C 1.943 178.564 176.600 0.034 0.000 0.985 428 E CA 1.043 57.455 56.400 0.021 0.000 0.814 428 E CB -0.953 28.751 29.700 0.006 0.000 0.752 428 E HN 0.440 nan 8.360 nan 0.000 0.466 429 E N 0.453 120.674 120.200 0.035 0.000 2.107 429 E HA -0.056 4.295 4.350 0.002 0.000 0.191 429 E C 2.094 178.716 176.600 0.037 0.000 0.982 429 E CA 0.620 57.040 56.400 0.033 0.000 0.809 429 E CB -0.129 29.592 29.700 0.035 0.000 0.756 429 E HN 0.260 nan 8.360 nan 0.000 0.459 430 I N 1.561 122.170 120.570 0.065 0.000 2.163 430 I HA -0.297 3.874 4.170 0.002 0.000 0.243 430 I C 2.292 178.427 176.117 0.032 0.000 1.085 430 I CA 1.392 62.727 61.300 0.057 0.000 1.347 430 I CB -0.249 37.842 38.000 0.152 0.000 1.044 430 I HN 0.103 nan 8.210 nan 0.000 0.408 431 E N 0.809 121.055 120.200 0.077 0.000 2.077 431 E HA -0.235 4.116 4.350 0.002 0.000 0.193 431 E C 2.336 178.943 176.600 0.013 0.000 0.989 431 E CA 1.347 57.774 56.400 0.045 0.000 0.800 431 E CB -0.231 29.519 29.700 0.083 0.000 0.746 431 E HN 0.535 nan 8.360 nan 0.000 0.452 432 A N 1.249 124.079 122.820 0.016 0.000 1.933 432 A HA -0.173 4.148 4.320 0.002 0.000 0.218 432 A C 2.184 179.763 177.584 -0.008 0.000 1.175 432 A CA 1.035 53.075 52.037 0.005 0.000 0.628 432 A CB -0.557 18.448 19.000 0.008 0.000 0.814 432 A HN 0.219 nan 8.150 nan 0.000 0.444 433 L N -0.586 120.628 121.223 -0.015 0.000 2.012 433 L HA -0.174 4.167 4.340 0.002 0.000 0.210 433 L C 2.583 179.425 176.870 -0.047 0.000 1.073 433 L CA 2.255 57.076 54.840 -0.032 0.000 0.748 433 L CB -0.350 41.681 42.059 -0.046 0.000 0.891 433 L HN 0.450 nan 8.230 nan 0.000 0.431 434 M N -2.209 117.357 119.600 -0.057 0.000 2.132 434 M HA -0.173 4.309 4.480 0.002 0.000 0.263 434 M C 2.123 178.400 176.300 -0.038 0.000 1.065 434 M CA 1.334 56.596 55.300 -0.062 0.000 1.122 434 M CB -0.385 32.173 32.600 -0.071 0.000 1.365 434 M HN 0.134 nan 8.290 nan 0.000 0.411 435 V N 0.689 120.588 119.914 -0.025 0.000 2.287 435 V HA -0.282 3.839 4.120 0.002 0.000 0.248 435 V C 2.671 178.755 176.094 -0.017 0.000 1.053 435 V CA 2.135 64.424 62.300 -0.017 0.000 1.027 435 V CB -1.184 30.634 31.823 -0.010 0.000 0.646 435 V HN 0.528 nan 8.190 nan 0.000 0.447 436 A N -0.163 122.647 122.820 -0.017 0.000 1.902 436 A HA -0.107 4.214 4.320 0.002 0.000 0.217 436 A C 2.391 179.964 177.584 -0.017 0.000 1.181 436 A CA 2.056 54.085 52.037 -0.014 0.000 0.623 436 A CB -0.732 18.260 19.000 -0.012 0.000 0.818 436 A HN 0.587 nan 8.150 nan 0.000 0.443 437 A N -0.422 122.383 122.820 -0.024 0.000 1.969 437 A HA -0.089 4.232 4.320 0.002 0.000 0.218 437 A C 2.148 179.718 177.584 -0.024 0.000 1.169 437 A CA 1.389 53.410 52.037 -0.026 0.000 0.635 437 A CB -0.337 18.640 19.000 -0.038 0.000 0.810 437 A HN 0.523 nan 8.150 nan 0.000 0.445 438 R N -0.222 120.264 120.500 -0.024 0.000 2.299 438 R HA 0.102 4.443 4.340 0.002 0.000 0.197 438 R C 0.462 176.752 176.300 -0.017 0.000 0.971 438 R CA 0.309 56.397 56.100 -0.022 0.000 1.030 438 R CB 0.071 30.358 30.300 -0.022 0.000 0.932 438 R HN 0.433 nan 8.270 nan 0.000 0.477 439 K N 0.000 120.391 120.400 -0.015 0.000 2.780 439 K HA 0.000 4.321 4.320 0.002 0.000 0.191 439 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 439 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 439 K HN 0.000 nan 8.250 nan 0.000 0.543