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 3ai0_1_A DATA FIRST_RESID 27 DATA SEQUENCE TVYTFPDEFK LGAATASYQI EGAWDENGKG PNIWDTLTHE HPDYVVDGAT DATA SEQUENCE GDIADDSYHL YKEDVKILKE LGAQVYRFSI SWARVLPEGH DNIVNQDGID DATA SEQUENCE YYNNLINELL ANGIEPMVTM YHWDLPQALQ DLGGWPNLVL AKYSENYARV DATA SEQUENCE LFKNFGDRVK LWLTFNDPLT FMDGYASEIG MAPSINTPGI GDYLAAHTVI DATA SEQUENCE HAHARIYHLY DQEFRAEQGG KVGISLNINW CEPATNSAED RASCENYQQF DATA SEQUENCE NLGLYAHPIF TEEGDYPAVL KDRVSRNSAD EGYTDSRLPQ FTAEEVEYIR DATA SEQUENCE GTHDFLGINF YTALLGKSGV EGYEPSRYRD SGVILTQDAA WPISASSWLK DATA SEQUENCE VVPWGFRKEL NWIKNEYNNP PVFITENGFS DYGGLNDTGR VHYYTEHLKE DATA SEQUENCE MLKAIHEDGV NVIGYTAWSL MDNFEWLRGY SEKFGIYAVD FEDPARPRIP DATA SEQUENCE KESAKVLAEI MNTRKIPERF RD 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 27 T HA 0.000 nan 4.350 nan 0.000 0.228 27 T C 0.000 174.357 174.700 -0.572 0.000 1.109 27 T CA 0.000 61.914 62.100 -0.309 0.000 1.349 27 T CB 0.000 68.682 68.868 -0.309 0.000 0.612 28 V N 0.829 120.423 119.914 -0.533 0.000 3.241 28 V HA 0.171 4.292 4.120 0.001 0.000 0.269 28 V C 1.125 176.889 176.094 -0.550 0.000 1.151 28 V CA 1.187 63.136 62.300 -0.586 0.000 1.158 28 V CB -0.912 30.576 31.823 -0.558 0.000 0.764 28 V HN 0.726 nan 8.190 nan 0.000 0.508 29 Y N -0.726 119.442 120.300 -0.219 0.000 2.507 29 Y HA 0.298 4.848 4.550 0.001 0.000 0.254 29 Y C 0.963 176.732 175.900 -0.219 0.000 1.171 29 Y CA -0.293 57.693 58.100 -0.191 0.000 1.238 29 Y CB 0.658 39.053 38.460 -0.108 0.000 1.148 29 Y HN 0.128 nan 8.280 nan 0.000 0.525 30 T N 0.825 115.305 114.554 -0.124 0.000 2.823 30 T HA 0.339 4.689 4.350 0.001 0.000 0.279 30 T C -0.595 174.037 174.700 -0.114 0.000 0.998 30 T CA -0.539 61.524 62.100 -0.063 0.000 0.994 30 T CB 0.727 69.577 68.868 -0.030 0.000 0.960 30 T HN -0.150 nan 8.240 nan 0.000 0.448 31 F N 3.355 123.289 119.950 -0.027 0.000 2.429 31 F HA 0.326 4.853 4.527 0.000 0.000 0.348 31 F C -1.616 174.179 175.800 -0.008 0.000 1.109 31 F CA -1.994 55.931 58.000 -0.125 0.000 1.232 31 F CB 0.064 38.950 39.000 -0.190 0.000 1.157 31 F HN 0.333 nan 8.300 nan 0.000 0.564 32 P HA -0.026 nan 4.420 nan 0.000 0.268 32 P C 0.205 177.632 177.300 0.211 0.000 1.208 32 P CA 0.079 63.282 63.100 0.171 0.000 0.777 32 P CB 0.647 32.439 31.700 0.154 0.000 0.875 33 D N 1.179 121.671 120.400 0.153 0.000 2.149 33 D HA -0.160 4.481 4.640 0.001 0.000 0.198 33 D C 1.189 177.572 176.300 0.137 0.000 0.990 33 D CA 1.439 55.518 54.000 0.130 0.000 0.839 33 D CB -0.052 40.802 40.800 0.090 0.000 0.948 33 D HN 0.459 nan 8.370 nan 0.000 0.460 34 E N -0.372 119.912 120.200 0.140 0.000 2.489 34 E HA 0.006 4.357 4.350 0.001 0.000 0.193 34 E C 0.326 177.000 176.600 0.124 0.000 1.057 34 E CA -0.396 56.069 56.400 0.109 0.000 0.866 34 E CB -0.241 29.504 29.700 0.075 0.000 0.916 34 E HN 0.262 nan 8.360 nan 0.000 0.500 35 F N 2.402 122.375 119.950 0.039 0.000 2.578 35 F HA 0.001 4.528 4.527 0.001 0.000 0.376 35 F C 0.515 176.306 175.800 -0.015 0.000 1.085 35 F CA 0.178 58.191 58.000 0.021 0.000 1.260 35 F CB 0.503 39.566 39.000 0.105 0.000 1.095 35 F HN -0.354 nan 8.300 nan 0.000 0.573 36 K N 7.439 127.583 120.400 -0.426 0.000 2.234 36 K HA 0.464 4.784 4.320 0.001 0.000 0.277 36 K C -1.071 175.436 176.600 -0.155 0.000 1.038 36 K CA -0.496 55.675 56.287 -0.193 0.000 0.888 36 K CB 1.363 33.804 32.500 -0.098 0.000 1.091 36 K HN 0.580 nan 8.250 nan 0.000 0.467 37 L N 1.888 123.130 121.223 0.032 0.000 2.334 37 L HA 0.666 5.006 4.340 0.001 0.000 0.276 37 L C 0.486 177.424 176.870 0.114 0.000 1.014 37 L CA -0.304 54.588 54.840 0.087 0.000 0.815 37 L CB 1.923 43.956 42.059 -0.043 0.000 1.268 37 L HN 0.897 nan 8.230 nan 0.000 0.428 38 G N 1.284 110.195 108.800 0.185 0.000 2.510 38 G HA2 0.758 4.719 3.960 0.001 0.000 0.277 38 G HA3 0.758 4.719 3.960 0.001 0.000 0.277 38 G C -2.128 172.894 174.900 0.203 0.000 1.223 38 G CA 0.220 45.427 45.100 0.179 0.000 0.887 38 G HN 0.804 nan 8.290 nan 0.000 0.485 39 A N -1.639 121.318 122.820 0.228 0.000 2.569 39 A HA 1.075 5.395 4.320 0.001 0.000 0.290 39 A C -0.519 177.253 177.584 0.314 0.000 1.136 39 A CA 0.230 52.401 52.037 0.223 0.000 0.710 39 A CB 1.355 20.447 19.000 0.152 0.000 1.303 39 A HN 2.437 nan 8.150 nan 0.000 0.413 40 A N -0.327 122.640 122.820 0.244 0.000 2.556 40 A HA 0.984 5.305 4.320 0.001 0.000 0.294 40 A C -0.214 177.373 177.584 0.004 0.000 1.091 40 A CA 0.117 52.295 52.037 0.235 0.000 0.704 40 A CB 1.419 20.677 19.000 0.430 0.000 1.300 40 A HN 2.275 nan 8.150 nan 0.000 0.406 41 T N -2.159 112.437 114.554 0.070 0.000 2.754 41 T HA 0.897 5.248 4.350 0.001 0.000 0.296 41 T C -0.480 174.339 174.700 0.197 0.000 1.205 41 T CA -0.153 61.905 62.100 -0.070 0.000 1.009 41 T CB 1.422 70.332 68.868 0.070 0.000 1.368 41 T HN 2.283 nan 8.240 nan 0.000 0.509 42 A N 0.448 123.330 122.820 0.103 0.000 2.475 42 A HA 0.741 5.062 4.320 0.001 0.000 0.301 42 A C 1.141 178.729 177.584 0.005 0.000 1.059 42 A CA -0.125 51.885 52.037 -0.046 0.000 0.710 42 A CB 1.448 20.079 19.000 -0.615 0.000 1.288 42 A HN 1.449 nan 8.150 nan 0.000 0.408 43 S N 1.067 116.825 115.700 0.097 0.000 2.351 43 S HA -0.277 4.193 4.470 0.001 0.000 0.220 43 S C 1.709 176.380 174.600 0.118 0.000 1.035 43 S CA 2.080 60.396 58.200 0.194 0.000 1.031 43 S CB -0.933 62.449 63.200 0.302 0.000 0.928 43 S HN 0.946 nan 8.310 nan 0.000 0.433 44 Y N 2.466 122.772 120.300 0.010 0.000 2.352 44 Y HA -0.030 4.521 4.550 0.000 0.000 0.292 44 Y C 2.644 178.416 175.900 -0.214 0.000 1.136 44 Y CA 1.542 59.608 58.100 -0.058 0.000 1.227 44 Y CB -0.327 38.129 38.460 -0.007 0.000 0.991 44 Y HN 0.348 nan 8.280 nan 0.000 0.545 45 Q N -0.266 119.352 119.800 -0.304 0.000 2.297 45 Q HA -0.074 4.266 4.340 0.001 0.000 0.204 45 Q C 1.888 177.807 176.000 -0.134 0.000 0.962 45 Q CA 1.758 57.357 55.803 -0.339 0.000 0.879 45 Q CB 0.074 28.577 28.738 -0.391 0.000 0.947 45 Q HN 0.781 nan 8.270 nan 0.000 0.462 46 I N -4.429 116.098 120.570 -0.071 0.000 4.433 46 I HA 0.147 4.317 4.170 0.001 0.000 0.322 46 I C 1.515 177.660 176.117 0.047 0.000 1.284 46 I CA 0.023 61.343 61.300 0.034 0.000 1.269 46 I CB 0.219 38.259 38.000 0.067 0.000 1.219 46 I HN -0.136 nan 8.210 nan 0.000 0.436 47 E N 2.345 122.558 120.200 0.022 0.000 2.072 47 E HA 0.149 4.499 4.350 0.001 0.000 0.190 47 E C 1.542 178.156 176.600 0.025 0.000 0.982 47 E CA 0.978 57.411 56.400 0.056 0.000 0.803 47 E CB -0.173 29.572 29.700 0.075 0.000 0.755 47 E HN 0.672 nan 8.360 nan 0.000 0.453 48 G N 0.796 109.574 108.800 -0.037 0.000 2.552 48 G HA2 -0.309 3.652 3.960 0.001 0.000 0.265 48 G HA3 -0.309 3.652 3.960 0.001 0.000 0.265 48 G C 0.464 175.352 174.900 -0.021 0.000 1.234 48 G CA 0.321 45.424 45.100 0.005 0.000 0.944 48 G HN 0.992 nan 8.290 nan 0.000 0.568 49 A N -1.442 121.369 122.820 -0.015 0.000 2.640 49 A HA -0.176 4.144 4.320 0.001 0.000 0.300 49 A C 1.398 178.821 177.584 -0.269 0.000 1.499 49 A CA 2.053 53.936 52.037 -0.256 0.000 0.759 49 A CB -2.149 16.366 19.000 -0.808 0.000 1.048 49 A HN 2.393 nan 8.150 nan 0.000 0.450 50 W N 0.675 121.903 121.300 -0.119 0.000 2.392 50 W HA -0.029 4.632 4.660 0.001 0.000 0.279 50 W C 0.460 176.967 176.519 -0.020 0.000 1.225 50 W CA 1.551 58.877 57.345 -0.032 0.000 1.233 50 W CB -0.404 29.096 29.460 0.067 0.000 1.122 50 W HN 0.825 nan 8.180 nan 0.000 0.561 51 D N -0.336 119.380 120.400 -1.141 0.000 2.599 51 D HA 0.097 4.737 4.640 0.001 0.000 0.249 51 D C -0.379 175.568 176.300 -0.588 0.000 1.313 51 D CA -0.319 53.063 54.000 -1.031 0.000 0.815 51 D CB -0.772 39.028 40.800 -1.667 0.000 1.077 51 D HN 0.231 nan 8.370 nan 0.000 0.492 52 E N 0.811 120.713 120.200 -0.496 0.000 2.301 52 E HA 0.225 4.575 4.350 0.001 0.000 0.275 52 E C -0.044 176.380 176.600 -0.293 0.000 1.030 52 E CA -0.433 55.743 56.400 -0.372 0.000 0.852 52 E CB 0.300 29.740 29.700 -0.433 0.000 1.060 52 E HN -0.078 nan 8.360 nan 0.000 0.401 53 N N 3.091 121.696 118.700 -0.158 0.000 2.705 53 N HA -0.239 4.502 4.740 0.001 0.000 0.255 53 N C 0.445 175.918 175.510 -0.061 0.000 1.008 53 N CA 1.359 54.368 53.050 -0.069 0.000 0.742 53 N CB -1.419 37.073 38.487 0.008 0.000 0.906 53 N HN 0.898 nan 8.380 nan 0.000 0.541 54 G N -1.167 107.585 108.800 -0.081 0.000 2.199 54 G HA2 -0.385 3.576 3.960 0.001 0.000 0.254 54 G HA3 -0.385 3.576 3.960 0.001 0.000 0.254 54 G C 0.092 174.967 174.900 -0.043 0.000 0.982 54 G CA 0.646 45.719 45.100 -0.045 0.000 0.632 54 G HN 0.723 nan 8.290 nan 0.000 0.529 55 K N 1.184 121.531 120.400 -0.089 0.000 2.448 55 K HA 0.462 4.782 4.320 0.001 0.000 0.278 55 K C 1.139 177.714 176.600 -0.042 0.000 1.009 55 K CA 0.388 56.646 56.287 -0.048 0.000 0.995 55 K CB 0.034 32.476 32.500 -0.098 0.000 0.917 55 K HN 0.360 nan 8.250 nan 0.000 0.481 56 G N 3.956 112.772 108.800 0.026 0.000 2.528 56 G HA2 0.354 4.314 3.960 0.001 0.000 0.289 56 G HA3 0.354 4.314 3.960 0.001 0.000 0.289 56 G C -2.513 172.442 174.900 0.092 0.000 1.192 56 G CA -1.367 43.755 45.100 0.035 0.000 0.921 56 G HN 0.559 nan 8.290 nan 0.000 0.512 57 P HA 0.184 nan 4.420 nan 0.000 0.278 57 P C -0.871 176.497 177.300 0.113 0.000 1.238 57 P CA -0.434 62.790 63.100 0.207 0.000 0.794 57 P CB 1.583 33.411 31.700 0.215 0.000 0.955 58 N N 1.216 119.996 118.700 0.133 0.000 2.619 58 N HA 0.271 5.012 4.740 0.001 0.000 0.294 58 N C 1.116 176.624 175.510 -0.004 0.000 1.279 58 N CA -1.035 52.055 53.050 0.066 0.000 0.867 58 N CB 0.211 38.784 38.487 0.144 0.000 1.329 58 N HN 0.336 nan 8.380 nan 0.000 0.557 59 I N -4.635 115.910 120.570 -0.040 0.000 2.756 59 I HA 0.145 4.315 4.170 0.001 0.000 0.262 59 I C 0.606 176.504 176.117 -0.365 0.000 1.225 59 I CA 0.613 61.806 61.300 -0.179 0.000 1.472 59 I CB -0.257 37.630 38.000 -0.189 0.000 1.094 59 I HN 0.415 nan 8.210 nan 0.000 0.454 60 W N 1.965 123.117 121.300 -0.246 0.000 2.576 60 W HA 0.011 4.671 4.660 0.000 0.000 0.275 60 W C 2.226 178.447 176.519 -0.498 0.000 1.241 60 W CA 0.594 57.665 57.345 -0.456 0.000 1.328 60 W CB -0.077 28.790 29.460 -0.988 0.000 1.092 60 W HN 0.087 nan 8.180 nan 0.000 0.586 61 D N -0.308 119.954 120.400 -0.230 0.000 2.116 61 D HA -0.177 4.464 4.640 0.001 0.000 0.193 61 D C 1.905 177.841 176.300 -0.607 0.000 0.998 61 D CA 2.232 55.947 54.000 -0.475 0.000 0.836 61 D CB -0.880 39.850 40.800 -0.115 0.000 0.951 61 D HN 0.104 nan 8.370 nan 0.000 0.449 62 T N 1.620 116.000 114.554 -0.289 0.000 2.708 62 T HA -0.104 4.247 4.350 0.001 0.000 0.266 62 T C 2.128 176.694 174.700 -0.225 0.000 1.037 62 T CA 0.462 62.437 62.100 -0.208 0.000 1.146 62 T CB -0.379 68.409 68.868 -0.133 0.000 0.865 62 T HN 0.120 nan 8.240 nan 0.000 0.435 63 L N 1.242 122.316 121.223 -0.248 0.000 2.017 63 L HA -0.139 4.201 4.340 0.001 0.000 0.208 63 L C 2.784 179.589 176.870 -0.109 0.000 1.073 63 L CA 1.929 56.669 54.840 -0.168 0.000 0.745 63 L CB -0.677 41.167 42.059 -0.357 0.000 0.894 63 L HN 0.429 nan 8.230 nan 0.000 0.432 64 T N -4.587 109.903 114.554 -0.107 0.000 2.995 64 T HA -0.156 4.194 4.350 0.001 0.000 0.269 64 T C 1.526 176.216 174.700 -0.016 0.000 1.091 64 T CA 1.302 63.402 62.100 -0.001 0.000 1.128 64 T CB -0.697 68.200 68.868 0.049 0.000 0.891 64 T HN 0.574 nan 8.240 nan 0.000 0.492 65 H N 0.828 119.794 119.070 -0.173 0.000 2.384 65 H HA 0.200 4.756 4.556 0.001 0.000 0.300 65 H C 2.313 177.503 175.328 -0.230 0.000 1.057 65 H CA 1.077 56.997 56.048 -0.213 0.000 1.370 65 H CB 0.312 29.914 29.762 -0.266 0.000 1.417 65 H HN 0.464 nan 8.280 nan 0.000 0.527 66 E N 0.084 120.160 120.200 -0.207 0.000 2.276 66 E HA -0.006 4.344 4.350 0.001 0.000 0.193 66 E C 0.014 176.174 176.600 -0.734 0.000 0.983 66 E CA 0.376 56.496 56.400 -0.467 0.000 0.861 66 E CB 0.600 29.934 29.700 -0.610 0.000 0.817 66 E HN 0.535 nan 8.360 nan 0.000 0.485 67 H N 0.190 119.079 119.070 -0.302 0.000 2.535 67 H HA 0.146 4.702 4.556 0.000 0.000 0.232 67 H C -1.934 173.179 175.328 -0.358 0.000 1.405 67 H CA -1.655 54.056 56.048 -0.562 0.000 1.224 67 H CB 0.657 29.648 29.762 -1.284 0.000 1.763 67 H HN 0.117 nan 8.280 nan 0.000 0.529 68 P HA -0.132 nan 4.420 nan 0.000 0.225 68 P C 1.014 178.356 177.300 0.071 0.000 1.148 68 P CA 0.925 64.042 63.100 0.028 0.000 0.779 68 P CB 0.350 32.068 31.700 0.030 0.000 0.780 69 D N -1.504 118.922 120.400 0.043 0.000 2.350 69 D HA -0.192 4.449 4.640 0.001 0.000 0.216 69 D C 1.270 177.745 176.300 0.292 0.000 0.968 69 D CA 0.863 54.944 54.000 0.136 0.000 0.894 69 D CB -1.005 39.874 40.800 0.132 0.000 0.909 69 D HN 0.177 nan 8.370 nan 0.000 0.520 70 Y N 0.651 121.010 120.300 0.098 0.000 2.544 70 Y HA 0.212 4.762 4.550 0.000 0.000 0.286 70 Y C 0.986 176.955 175.900 0.115 0.000 1.141 70 Y CA -0.693 57.454 58.100 0.078 0.000 1.299 70 Y CB -0.045 38.444 38.460 0.048 0.000 1.030 70 Y HN -0.162 nan 8.280 nan 0.000 0.543 71 V N 0.328 120.412 119.914 0.284 0.000 2.555 71 V HA 0.271 4.392 4.120 0.001 0.000 0.302 71 V C 0.144 176.341 176.094 0.172 0.000 1.038 71 V CA -1.592 60.855 62.300 0.246 0.000 0.887 71 V CB 2.194 34.202 31.823 0.309 0.000 0.991 71 V HN -0.283 nan 8.190 nan 0.000 0.434 72 V N 4.569 124.559 119.914 0.127 0.000 2.617 72 V HA 0.040 4.160 4.120 0.001 0.000 0.304 72 V C 1.004 177.166 176.094 0.113 0.000 1.040 72 V CA 0.783 63.144 62.300 0.102 0.000 1.149 72 V CB -0.073 31.797 31.823 0.078 0.000 0.914 72 V HN 1.113 nan 8.190 nan 0.000 0.487 73 D N 3.012 123.477 120.400 0.108 0.000 3.059 73 D HA -0.218 4.423 4.640 0.001 0.000 0.213 73 D C 1.231 177.607 176.300 0.126 0.000 1.144 73 D CA 1.510 55.577 54.000 0.112 0.000 0.975 73 D CB -1.314 39.562 40.800 0.126 0.000 1.125 73 D HN 1.499 nan 8.370 nan 0.000 0.412 74 G N -0.113 108.769 108.800 0.137 0.000 2.249 74 G HA2 -0.095 3.866 3.960 0.001 0.000 0.273 74 G HA3 -0.095 3.866 3.960 0.001 0.000 0.273 74 G C 0.522 175.530 174.900 0.181 0.000 1.036 74 G CA 1.081 46.265 45.100 0.140 0.000 0.824 74 G HN 1.161 nan 8.290 nan 0.000 0.504 75 A N -0.432 122.534 122.820 0.244 0.000 2.366 75 A HA 0.832 5.153 4.320 0.001 0.000 0.249 75 A C 0.906 178.712 177.584 0.370 0.000 1.084 75 A CA 1.141 53.382 52.037 0.340 0.000 0.794 75 A CB 0.562 19.789 19.000 0.379 0.000 1.034 75 A HN 1.985 nan 8.150 nan 0.000 0.491 76 T N -2.166 112.532 114.554 0.240 0.000 2.901 76 T HA 0.599 4.950 4.350 0.001 0.000 0.293 76 T C 0.494 174.937 174.700 -0.428 0.000 1.084 76 T CA 0.003 62.056 62.100 -0.078 0.000 1.008 76 T CB 1.602 70.460 68.868 -0.016 0.000 1.170 76 T HN 1.177 nan 8.240 nan 0.000 0.509 77 G N 0.120 108.423 108.800 -0.827 0.000 3.440 77 G HA2 0.199 4.160 3.960 0.001 0.000 0.263 77 G HA3 0.199 4.160 3.960 0.001 0.000 0.263 77 G C 0.455 175.088 174.900 -0.445 0.000 1.236 77 G CA -0.300 44.227 45.100 -0.956 0.000 0.927 77 G HN 0.739 nan 8.290 nan 0.000 0.530 78 D N 0.726 121.021 120.400 -0.175 0.000 2.123 78 D HA -0.089 4.552 4.640 0.001 0.000 0.196 78 D C 2.234 178.618 176.300 0.141 0.000 0.992 78 D CA 0.931 54.952 54.000 0.036 0.000 0.833 78 D CB 0.294 41.120 40.800 0.043 0.000 0.954 78 D HN 0.478 nan 8.370 nan 0.000 0.455 79 I N -0.771 119.841 120.570 0.071 0.000 3.443 79 I HA 0.188 4.359 4.170 0.001 0.000 0.277 79 I C 1.509 177.680 176.117 0.090 0.000 1.169 79 I CA 0.388 61.746 61.300 0.097 0.000 1.419 79 I CB -0.041 38.018 38.000 0.098 0.000 1.331 79 I HN -0.044 nan 8.210 nan 0.000 0.458 80 A N 1.946 124.838 122.820 0.121 0.000 5.483 80 A HA -0.350 3.970 4.320 0.001 0.000 0.309 80 A C 1.043 178.842 177.584 0.359 0.000 1.898 80 A CA 1.931 54.121 52.037 0.255 0.000 0.716 80 A CB -1.748 17.295 19.000 0.073 0.000 1.309 80 A HN 0.455 nan 8.150 nan 0.000 0.380 81 D N 0.639 121.218 120.400 0.298 0.000 2.349 81 D HA 0.257 4.897 4.640 0.001 0.000 0.224 81 D C 0.563 176.926 176.300 0.105 0.000 1.029 81 D CA 1.335 55.446 54.000 0.184 0.000 0.879 81 D CB -0.116 40.766 40.800 0.136 0.000 0.906 81 D HN 0.639 nan 8.370 nan 0.000 0.528 82 D N -0.324 120.153 120.400 0.128 0.000 2.837 82 D HA -0.177 4.464 4.640 0.001 0.000 0.230 82 D C 0.756 177.144 176.300 0.146 0.000 1.152 82 D CA 0.462 54.556 54.000 0.156 0.000 0.736 82 D CB -1.293 39.605 40.800 0.163 0.000 1.084 82 D HN -0.050 nan 8.370 nan 0.000 0.429 83 S N -1.302 114.472 115.700 0.123 0.000 2.469 83 S HA -0.168 4.303 4.470 0.001 0.000 0.238 83 S C 1.409 176.122 174.600 0.188 0.000 0.998 83 S CA 0.807 59.096 58.200 0.149 0.000 0.957 83 S CB -0.244 63.051 63.200 0.159 0.000 0.764 83 S HN 0.615 nan 8.310 nan 0.000 0.514 84 Y N 1.951 122.177 120.300 -0.124 0.000 2.165 84 Y HA -0.256 4.294 4.550 0.001 0.000 0.286 84 Y C 1.982 177.694 175.900 -0.314 0.000 1.155 84 Y CA 1.971 59.745 58.100 -0.545 0.000 1.164 84 Y CB -0.365 37.651 38.460 -0.740 0.000 0.978 84 Y HN 0.413 nan 8.280 nan 0.000 0.513 85 H N -1.221 117.880 119.070 0.050 0.000 2.486 85 H HA 0.208 4.764 4.556 0.001 0.000 0.287 85 H C 1.156 176.475 175.328 -0.015 0.000 1.010 85 H CA 1.109 57.160 56.048 0.005 0.000 1.324 85 H CB 0.107 29.899 29.762 0.050 0.000 1.446 85 H HN 0.247 nan 8.280 nan 0.000 0.537 86 L N 1.502 122.786 121.223 0.102 0.000 2.872 86 L HA 0.088 4.428 4.340 0.001 0.000 0.245 86 L C 1.013 177.825 176.870 -0.096 0.000 1.211 86 L CA -0.294 54.525 54.840 -0.035 0.000 1.013 86 L CB -0.311 41.740 42.059 -0.014 0.000 1.326 86 L HN 0.404 nan 8.230 nan 0.000 0.525 87 Y N -0.272 120.008 120.300 -0.033 0.000 2.241 87 Y HA -0.206 4.344 4.550 0.001 0.000 0.286 87 Y C 2.094 177.912 175.900 -0.135 0.000 1.166 87 Y CA 0.958 59.008 58.100 -0.083 0.000 1.203 87 Y CB -0.630 37.764 38.460 -0.109 0.000 0.977 87 Y HN 0.033 nan 8.280 nan 0.000 0.529 88 K N 0.300 120.220 120.400 -0.801 0.000 2.148 88 K HA -0.128 4.192 4.320 0.001 0.000 0.204 88 K C 1.857 178.280 176.600 -0.295 0.000 1.050 88 K CA 1.346 57.324 56.287 -0.515 0.000 0.942 88 K CB -0.099 32.079 32.500 -0.536 0.000 0.724 88 K HN 0.398 nan 8.250 nan 0.000 0.446 89 E N 1.202 121.245 120.200 -0.261 0.000 2.106 89 E HA -0.160 4.190 4.350 0.001 0.000 0.192 89 E C 1.477 177.936 176.600 -0.234 0.000 0.984 89 E CA 1.073 57.348 56.400 -0.208 0.000 0.806 89 E CB -0.130 29.469 29.700 -0.168 0.000 0.750 89 E HN 0.299 nan 8.360 nan 0.000 0.458 90 D N 0.471 120.735 120.400 -0.226 0.000 2.117 90 D HA -0.101 4.539 4.640 0.001 0.000 0.198 90 D C 2.124 178.206 176.300 -0.363 0.000 0.982 90 D CA 0.647 54.472 54.000 -0.292 0.000 0.828 90 D CB -0.193 40.471 40.800 -0.227 0.000 0.967 90 D HN 0.008 nan 8.370 nan 0.000 0.464 91 V N 0.945 120.690 119.914 -0.282 0.000 2.427 91 V HA -0.210 3.910 4.120 0.001 0.000 0.248 91 V C 2.416 178.378 176.094 -0.221 0.000 1.051 91 V CA 1.385 63.532 62.300 -0.253 0.000 1.048 91 V CB -0.417 31.311 31.823 -0.158 0.000 0.666 91 V HN 0.176 nan 8.190 nan 0.000 0.456 92 K N 0.705 120.980 120.400 -0.207 0.000 2.063 92 K HA -0.202 4.118 4.320 0.001 0.000 0.208 92 K C 2.125 178.606 176.600 -0.197 0.000 1.048 92 K CA 2.244 58.427 56.287 -0.173 0.000 0.928 92 K CB -0.278 32.129 32.500 -0.155 0.000 0.713 92 K HN 0.675 nan 8.250 nan 0.000 0.442 93 I N -1.654 118.734 120.570 -0.303 0.000 2.439 93 I HA -0.156 4.014 4.170 0.001 0.000 0.251 93 I C 1.842 177.758 176.117 -0.335 0.000 1.139 93 I CA 0.906 61.951 61.300 -0.426 0.000 1.438 93 I CB -0.307 37.127 38.000 -0.943 0.000 1.085 93 I HN 0.027 nan 8.210 nan 0.000 0.427 94 L N 1.243 122.271 121.223 -0.324 0.000 2.093 94 L HA -0.140 4.200 4.340 0.001 0.000 0.208 94 L C 2.795 179.590 176.870 -0.124 0.000 1.085 94 L CA 1.566 56.267 54.840 -0.232 0.000 0.755 94 L CB -0.556 41.311 42.059 -0.321 0.000 0.904 94 L HN 0.283 nan 8.230 nan 0.000 0.435 95 K N 0.316 120.643 120.400 -0.121 0.000 2.057 95 K HA -0.235 4.086 4.320 0.001 0.000 0.206 95 K C 2.093 178.669 176.600 -0.041 0.000 1.050 95 K CA 1.447 57.692 56.287 -0.069 0.000 0.935 95 K CB 0.028 32.485 32.500 -0.071 0.000 0.715 95 K HN 0.275 nan 8.250 nan 0.000 0.439 96 E N 0.516 120.692 120.200 -0.040 0.000 2.077 96 E HA -0.223 4.127 4.350 0.001 0.000 0.193 96 E C 2.007 178.631 176.600 0.040 0.000 0.989 96 E CA 1.056 57.462 56.400 0.010 0.000 0.800 96 E CB -0.074 29.649 29.700 0.040 0.000 0.746 96 E HN 0.261 nan 8.360 nan 0.000 0.452 97 L N 0.145 121.399 121.223 0.051 0.000 2.201 97 L HA 0.042 4.382 4.340 0.001 0.000 0.212 97 L C 1.468 178.353 176.870 0.024 0.000 1.105 97 L CA 2.057 56.938 54.840 0.068 0.000 0.775 97 L CB -0.195 41.918 42.059 0.089 0.000 0.913 97 L HN 0.383 nan 8.230 nan 0.000 0.440 98 G N -1.523 107.280 108.800 0.005 0.000 2.132 98 G HA2 -0.193 3.767 3.960 0.001 0.000 0.228 98 G HA3 -0.193 3.767 3.960 0.001 0.000 0.228 98 G C 0.479 175.381 174.900 0.003 0.000 1.000 98 G CA 0.208 45.309 45.100 0.000 0.000 0.693 98 G HN 0.890 nan 8.290 nan 0.000 0.515 99 A N -0.410 122.414 122.820 0.007 0.000 2.520 99 A HA 0.545 4.865 4.320 0.001 0.000 0.245 99 A C 1.252 178.858 177.584 0.037 0.000 1.072 99 A CA 1.290 53.346 52.037 0.031 0.000 0.761 99 A CB 0.257 19.282 19.000 0.041 0.000 1.004 99 A HN 0.588 nan 8.150 nan 0.000 0.499 100 Q N 0.890 120.721 119.800 0.051 0.000 2.302 100 Q HA 0.165 4.505 4.340 0.001 0.000 0.202 100 Q C 0.271 176.317 176.000 0.075 0.000 0.936 100 Q CA 0.960 56.794 55.803 0.051 0.000 0.886 100 Q CB 0.402 29.167 28.738 0.044 0.000 0.986 100 Q HN 0.588 nan 8.270 nan 0.000 0.487 101 V N -0.199 119.785 119.914 0.116 0.000 2.841 101 V HA 0.406 4.526 4.120 0.001 0.000 0.310 101 V C -2.141 174.091 176.094 0.229 0.000 1.090 101 V CA -0.947 61.441 62.300 0.146 0.000 0.930 101 V CB 1.927 33.849 31.823 0.165 0.000 1.014 101 V HN 0.152 nan 8.190 nan 0.000 0.425 102 Y N 6.496 126.838 120.300 0.070 0.000 2.326 102 Y HA 0.624 5.174 4.550 0.001 0.000 0.331 102 Y C -0.194 175.785 175.900 0.130 0.000 0.962 102 Y CA -1.045 57.121 58.100 0.111 0.000 1.167 102 Y CB 1.223 39.753 38.460 0.116 0.000 1.148 102 Y HN 0.758 nan 8.280 nan 0.000 0.463 103 R N 7.436 127.875 120.500 -0.101 0.000 2.229 103 R HA 0.511 4.851 4.340 0.001 0.000 0.328 103 R C -1.566 174.476 176.300 -0.429 0.000 1.009 103 R CA -0.307 55.623 56.100 -0.282 0.000 0.864 103 R CB 0.258 30.497 30.300 -0.102 0.000 1.085 103 R HN 0.607 nan 8.270 nan 0.000 0.453 104 F N 0.856 120.470 119.950 -0.561 0.000 2.640 104 F HA 0.657 5.184 4.527 0.001 0.000 0.324 104 F C -0.799 174.889 175.800 -0.188 0.000 1.077 104 F CA -1.159 56.580 58.000 -0.435 0.000 0.965 104 F CB 1.387 40.035 39.000 -0.586 0.000 1.351 104 F HN 0.402 nan 8.300 nan 0.000 0.487 105 S N 1.048 116.812 115.700 0.107 0.000 2.621 105 S HA 0.760 5.230 4.470 0.001 0.000 0.302 105 S C -0.955 173.726 174.600 0.135 0.000 1.093 105 S CA -0.753 57.471 58.200 0.040 0.000 1.017 105 S CB 1.517 64.790 63.200 0.121 0.000 1.077 105 S HN 0.722 nan 8.310 nan 0.000 0.517 106 I N 2.107 122.667 120.570 -0.017 0.000 2.359 106 I HA 0.283 4.453 4.170 0.001 0.000 0.294 106 I C 0.406 176.634 176.117 0.184 0.000 0.987 106 I CA -0.479 60.716 61.300 -0.174 0.000 1.225 106 I CB 1.910 39.673 38.000 -0.395 0.000 1.366 106 I HN 0.766 nan 8.210 nan 0.000 0.466 107 S N 6.560 122.467 115.700 0.346 0.000 2.430 107 S HA -0.005 4.466 4.470 0.001 0.000 0.282 107 S C 0.851 175.722 174.600 0.452 0.000 1.186 107 S CA -0.374 58.080 58.200 0.423 0.000 1.060 107 S CB 0.200 63.670 63.200 0.450 0.000 0.966 107 S HN 0.696 nan 8.310 nan 0.000 0.501 108 W N 5.423 126.813 121.300 0.148 0.000 2.318 108 W HA -0.196 4.464 4.660 0.001 0.000 0.313 108 W C 1.956 178.462 176.519 -0.021 0.000 1.221 108 W CA 1.754 59.005 57.345 -0.156 0.000 1.266 108 W CB -1.069 28.130 29.460 -0.434 0.000 1.150 108 W HN 0.846 nan 8.180 nan 0.000 0.496 109 A N 0.242 123.242 122.820 0.300 0.000 2.168 109 A HA -0.086 4.234 4.320 0.001 0.000 0.215 109 A C 2.091 179.804 177.584 0.215 0.000 1.152 109 A CA 1.270 53.419 52.037 0.185 0.000 0.716 109 A CB -0.732 18.325 19.000 0.095 0.000 0.794 109 A HN 0.369 nan 8.150 nan 0.000 0.465 110 R N -0.668 120.005 120.500 0.288 0.000 2.119 110 R HA -0.009 4.332 4.340 0.001 0.000 0.222 110 R C 1.492 177.983 176.300 0.318 0.000 1.088 110 R CA 1.425 57.689 56.100 0.273 0.000 0.984 110 R CB -0.038 30.469 30.300 0.346 0.000 0.884 110 R HN 0.344 nan 8.270 nan 0.000 0.447 111 V N 0.524 120.673 119.914 0.392 0.000 2.426 111 V HA 0.042 4.163 4.120 0.001 0.000 0.242 111 V C 0.955 177.228 176.094 0.298 0.000 1.036 111 V CA 0.900 63.431 62.300 0.384 0.000 1.044 111 V CB 0.148 32.252 31.823 0.468 0.000 0.688 111 V HN 0.157 nan 8.190 nan 0.000 0.462 112 L N 1.018 122.433 121.223 0.319 0.000 2.384 112 L HA 0.326 4.666 4.340 0.001 0.000 0.261 112 L C -2.096 174.890 176.870 0.193 0.000 1.024 112 L CA -1.312 53.688 54.840 0.267 0.000 0.899 112 L CB 1.733 44.005 42.059 0.355 0.000 1.243 112 L HN 0.119 nan 8.230 nan 0.000 0.449 113 P HA -0.106 nan 4.420 nan 0.000 0.223 113 P C 0.893 178.214 177.300 0.035 0.000 1.151 113 P CA 0.985 64.132 63.100 0.080 0.000 0.787 113 P CB 0.387 32.124 31.700 0.062 0.000 0.788 114 E N -1.770 118.457 120.200 0.044 0.000 2.474 114 E HA 0.159 4.509 4.350 0.001 0.000 0.195 114 E C 1.658 178.230 176.600 -0.047 0.000 1.039 114 E CA 0.512 56.927 56.400 0.025 0.000 0.881 114 E CB -0.140 29.605 29.700 0.074 0.000 0.970 114 E HN 0.140 nan 8.360 nan 0.000 0.486 115 G N 1.360 110.099 108.800 -0.102 0.000 2.990 115 G HA2 -0.297 3.664 3.960 0.001 0.000 0.225 115 G HA3 -0.297 3.664 3.960 0.001 0.000 0.225 115 G C 0.551 175.395 174.900 -0.093 0.000 1.304 115 G CA 0.426 45.351 45.100 -0.292 0.000 0.816 115 G HN 0.411 nan 8.290 nan 0.000 0.528 116 H N 2.136 121.153 119.070 -0.088 0.000 2.822 116 H HA 0.257 4.813 4.556 0.001 0.000 0.373 116 H C 1.055 176.422 175.328 0.065 0.000 1.223 116 H CA 0.991 56.991 56.048 -0.080 0.000 1.436 116 H CB 0.694 30.350 29.762 -0.176 0.000 1.439 116 H HN 0.580 nan 8.280 nan 0.000 0.618 117 D N 0.477 120.999 120.400 0.203 0.000 2.325 117 D HA -0.113 4.527 4.640 0.001 0.000 0.234 117 D C 0.924 177.299 176.300 0.125 0.000 1.122 117 D CA -0.195 53.906 54.000 0.167 0.000 0.850 117 D CB -0.370 40.525 40.800 0.157 0.000 0.921 117 D HN 0.515 nan 8.370 nan 0.000 0.513 118 N N 0.906 119.674 118.700 0.113 0.000 2.270 118 N HA -0.116 4.625 4.740 0.001 0.000 0.181 118 N C 0.428 175.980 175.510 0.070 0.000 1.016 118 N CA 0.466 53.559 53.050 0.073 0.000 0.870 118 N CB 0.140 38.652 38.487 0.041 0.000 0.979 118 N HN 0.288 nan 8.380 nan 0.000 0.431 119 I N 1.326 121.947 120.570 0.085 0.000 2.418 119 I HA 0.246 4.416 4.170 0.001 0.000 0.287 119 I C -0.952 175.227 176.117 0.103 0.000 1.008 119 I CA -0.896 60.452 61.300 0.080 0.000 1.104 119 I CB 2.607 40.647 38.000 0.068 0.000 1.264 119 I HN -0.264 nan 8.210 nan 0.000 0.438 120 V N 5.282 125.254 119.914 0.097 0.000 2.370 120 V HA 0.262 4.382 4.120 0.001 0.000 0.283 120 V C 0.076 176.236 176.094 0.111 0.000 1.023 120 V CA -0.740 61.628 62.300 0.114 0.000 0.857 120 V CB 1.553 33.433 31.823 0.095 0.000 0.985 120 V HN 0.652 nan 8.190 nan 0.000 0.443 121 N N 3.547 122.329 118.700 0.137 0.000 2.402 121 N HA 0.078 4.819 4.740 0.001 0.000 0.252 121 N C 0.925 176.521 175.510 0.143 0.000 1.118 121 N CA 0.017 53.143 53.050 0.128 0.000 0.945 121 N CB 1.339 39.907 38.487 0.135 0.000 1.147 121 N HN 0.664 nan 8.380 nan 0.000 0.495 122 Q N 2.856 122.724 119.800 0.113 0.000 2.170 122 Q HA -0.173 4.168 4.340 0.001 0.000 0.203 122 Q C 0.942 177.022 176.000 0.134 0.000 0.976 122 Q CA 1.870 57.742 55.803 0.115 0.000 0.858 122 Q CB -0.186 28.602 28.738 0.084 0.000 0.907 122 Q HN 0.807 nan 8.270 nan 0.000 0.433 123 D N -1.593 118.883 120.400 0.127 0.000 2.144 123 D HA -0.113 4.527 4.640 0.001 0.000 0.199 123 D C 1.736 178.151 176.300 0.191 0.000 0.984 123 D CA 1.504 55.588 54.000 0.140 0.000 0.834 123 D CB -0.510 40.363 40.800 0.123 0.000 0.955 123 D HN 0.410 nan 8.370 nan 0.000 0.465 124 G N 0.626 109.561 108.800 0.226 0.000 2.404 124 G HA2 -0.186 3.774 3.960 0.001 0.000 0.215 124 G HA3 -0.186 3.774 3.960 0.001 0.000 0.215 124 G C 1.565 176.725 174.900 0.433 0.000 1.174 124 G CA 0.607 45.904 45.100 0.329 0.000 0.780 124 G HN 0.250 nan 8.290 nan 0.000 0.537 125 I N 1.798 122.605 120.570 0.395 0.000 2.163 125 I HA -0.122 4.048 4.170 0.001 0.000 0.243 125 I C 2.203 178.541 176.117 0.369 0.000 1.085 125 I CA 1.350 62.927 61.300 0.462 0.000 1.347 125 I CB -0.913 37.231 38.000 0.240 0.000 1.044 125 I HN 0.104 nan 8.210 nan 0.000 0.408 126 D N -0.132 120.395 120.400 0.211 0.000 2.117 126 D HA -0.224 4.416 4.640 0.001 0.000 0.197 126 D C 2.071 178.377 176.300 0.009 0.000 0.987 126 D CA 1.092 55.160 54.000 0.113 0.000 0.829 126 D CB -0.442 40.408 40.800 0.084 0.000 0.961 126 D HN 0.358 nan 8.370 nan 0.000 0.460 127 Y N 0.632 120.834 120.300 -0.164 0.000 2.114 127 Y HA -0.295 4.255 4.550 0.001 0.000 0.284 127 Y C 1.973 177.532 175.900 -0.568 0.000 1.143 127 Y CA 1.535 59.351 58.100 -0.473 0.000 1.135 127 Y CB -0.782 37.347 38.460 -0.551 0.000 0.980 127 Y HN -0.034 nan 8.280 nan 0.000 0.499 128 Y N 0.311 120.393 120.300 -0.363 0.000 2.293 128 Y HA -0.180 4.370 4.550 0.001 0.000 0.291 128 Y C 2.450 178.048 175.900 -0.503 0.000 1.137 128 Y CA 1.412 59.140 58.100 -0.619 0.000 1.202 128 Y CB -0.851 37.237 38.460 -0.621 0.000 0.990 128 Y HN 0.193 nan 8.280 nan 0.000 0.537 129 N N 0.254 118.933 118.700 -0.035 0.000 2.120 129 N HA -0.165 4.576 4.740 0.001 0.000 0.188 129 N C 1.400 176.835 175.510 -0.126 0.000 1.024 129 N CA 1.124 54.202 53.050 0.046 0.000 0.852 129 N CB -0.434 38.166 38.487 0.188 0.000 1.003 129 N HN 0.362 nan 8.380 nan 0.000 0.424 130 N N 0.985 119.524 118.700 -0.269 0.000 2.120 130 N HA -0.119 4.621 4.740 0.001 0.000 0.188 130 N C 1.766 177.022 175.510 -0.422 0.000 1.024 130 N CA 0.424 53.279 53.050 -0.324 0.000 0.852 130 N CB -0.486 37.725 38.487 -0.461 0.000 1.003 130 N HN 0.208 nan 8.380 nan 0.000 0.424 131 L N 1.141 121.919 121.223 -0.742 0.000 2.027 131 L HA 0.039 4.379 4.340 0.001 0.000 0.206 131 L C 1.960 178.659 176.870 -0.285 0.000 1.074 131 L CA 1.263 55.755 54.840 -0.580 0.000 0.745 131 L CB -0.650 40.867 42.059 -0.903 0.000 0.898 131 L HN 0.072 nan 8.230 nan 0.000 0.433 132 I N 0.189 120.616 120.570 -0.239 0.000 2.163 132 I HA -0.335 3.836 4.170 0.001 0.000 0.243 132 I C 2.072 178.171 176.117 -0.029 0.000 1.085 132 I CA 1.427 62.684 61.300 -0.071 0.000 1.347 132 I CB -0.578 37.407 38.000 -0.025 0.000 1.044 132 I HN 0.400 nan 8.210 nan 0.000 0.408 133 N N 0.436 119.116 118.700 -0.033 0.000 2.188 133 N HA -0.214 4.527 4.740 0.001 0.000 0.184 133 N C 1.802 177.315 175.510 0.004 0.000 1.018 133 N CA 1.153 54.203 53.050 0.000 0.000 0.858 133 N CB -0.316 38.177 38.487 0.010 0.000 0.989 133 N HN 0.362 nan 8.380 nan 0.000 0.426 134 E N 1.014 121.216 120.200 0.004 0.000 2.072 134 E HA -0.007 4.343 4.350 0.001 0.000 0.191 134 E C 2.013 178.610 176.600 -0.005 0.000 0.985 134 E CA 0.620 57.032 56.400 0.019 0.000 0.801 134 E CB -0.221 29.529 29.700 0.083 0.000 0.750 134 E HN 0.263 nan 8.360 nan 0.000 0.452 135 L N -0.053 121.166 121.223 -0.008 0.000 1.989 135 L HA -0.213 4.127 4.340 0.001 0.000 0.211 135 L C 2.543 179.420 176.870 0.011 0.000 1.071 135 L CA 1.268 56.111 54.840 0.006 0.000 0.749 135 L CB -0.536 41.554 42.059 0.052 0.000 0.890 135 L HN 0.223 nan 8.230 nan 0.000 0.431 136 L N -0.467 120.765 121.223 0.015 0.000 2.083 136 L HA -0.200 4.141 4.340 0.001 0.000 0.209 136 L C 2.754 179.629 176.870 0.009 0.000 1.083 136 L CA 1.106 55.955 54.840 0.015 0.000 0.752 136 L CB -0.725 41.346 42.059 0.020 0.000 0.899 136 L HN 0.269 nan 8.230 nan 0.000 0.433 137 A N -0.618 122.205 122.820 0.005 0.000 2.121 137 A HA -0.123 4.197 4.320 0.001 0.000 0.218 137 A C 1.711 179.292 177.584 -0.006 0.000 1.154 137 A CA 1.220 53.258 52.037 0.001 0.000 0.679 137 A CB -0.358 18.642 19.000 0.000 0.000 0.795 137 A HN 0.467 nan 8.150 nan 0.000 0.458 138 N N -0.787 117.907 118.700 -0.010 0.000 2.214 138 N HA 0.174 4.914 4.740 0.001 0.000 0.214 138 N C 0.824 176.328 175.510 -0.010 0.000 1.132 138 N CA 0.709 53.748 53.050 -0.018 0.000 0.856 138 N CB 0.597 39.063 38.487 -0.036 0.000 1.020 138 N HN 0.527 nan 8.380 nan 0.000 0.509 139 G N 1.601 110.401 108.800 -0.000 0.000 2.198 139 G HA2 -0.268 3.692 3.960 0.001 0.000 0.260 139 G HA3 -0.268 3.692 3.960 0.001 0.000 0.260 139 G C -0.078 174.830 174.900 0.013 0.000 1.025 139 G CA 0.094 45.198 45.100 0.006 0.000 0.769 139 G HN 0.334 nan 8.290 nan 0.000 0.507 140 I N 0.020 120.600 120.570 0.017 0.000 2.433 140 I HA 0.380 4.550 4.170 0.001 0.000 0.292 140 I C 0.371 176.519 176.117 0.051 0.000 1.001 140 I CA -0.849 60.472 61.300 0.036 0.000 1.119 140 I CB 1.874 39.893 38.000 0.032 0.000 1.289 140 I HN 0.220 nan 8.210 nan 0.000 0.438 141 E N 8.371 128.602 120.200 0.052 0.000 2.259 141 E HA 0.323 4.674 4.350 0.001 0.000 0.281 141 E C -2.381 174.244 176.600 0.041 0.000 1.027 141 E CA -1.864 54.554 56.400 0.029 0.000 0.838 141 E CB 1.101 30.805 29.700 0.007 0.000 1.066 141 E HN 0.214 nan 8.360 nan 0.000 0.401 142 P HA 0.100 nan 4.420 nan 0.000 0.285 142 P C -1.007 176.147 177.300 -0.243 0.000 1.259 142 P CA -0.182 62.919 63.100 0.002 0.000 0.794 142 P CB 0.840 32.574 31.700 0.056 0.000 0.940 143 M N 3.717 123.099 119.600 -0.364 0.000 2.142 143 M HA 0.345 4.826 4.480 0.001 0.000 0.299 143 M C -1.788 174.052 176.300 -0.766 0.000 0.960 143 M CA -0.825 54.166 55.300 -0.514 0.000 0.920 143 M CB 1.528 33.881 32.600 -0.412 0.000 1.541 143 M HN -0.036 nan 8.290 nan 0.000 0.429 144 V N 4.139 123.549 119.914 -0.840 0.000 2.370 144 V HA 0.397 4.517 4.120 0.001 0.000 0.283 144 V C 0.002 175.855 176.094 -0.402 0.000 1.023 144 V CA -0.463 61.298 62.300 -0.897 0.000 0.857 144 V CB 1.744 32.971 31.823 -0.994 0.000 0.985 144 V HN 0.853 nan 8.190 nan 0.000 0.443 145 T N 6.953 121.311 114.554 -0.327 0.000 2.743 145 T HA 0.299 4.649 4.350 0.001 0.000 0.293 145 T C 1.284 175.949 174.700 -0.059 0.000 0.945 145 T CA -0.218 61.818 62.100 -0.106 0.000 1.030 145 T CB 0.988 69.843 68.868 -0.022 0.000 0.912 145 T HN 0.522 nan 8.240 nan 0.000 0.483 146 M N 2.105 121.678 119.600 -0.044 0.000 2.175 146 M HA 0.019 4.499 4.480 0.001 0.000 0.264 146 M C 0.223 176.647 176.300 0.207 0.000 1.063 146 M CA 1.443 56.708 55.300 -0.059 0.000 1.119 146 M CB 0.064 32.474 32.600 -0.315 0.000 1.377 146 M HN 0.585 nan 8.290 nan 0.000 0.415 147 Y N -0.202 120.121 120.300 0.038 0.000 2.333 147 Y HA 0.278 4.829 4.550 0.001 0.000 0.324 147 Y C -0.838 175.220 175.900 0.264 0.000 1.033 147 Y CA -0.934 57.295 58.100 0.214 0.000 1.224 147 Y CB 0.682 39.256 38.460 0.191 0.000 1.120 147 Y HN 0.059 nan 8.280 nan 0.000 0.457 148 H N 6.483 125.399 119.070 -0.257 0.000 2.429 148 H HA 0.217 4.774 4.556 0.001 0.000 0.237 148 H C -0.836 174.271 175.328 -0.370 0.000 1.378 148 H CA -0.193 55.670 56.048 -0.309 0.000 1.170 148 H CB 0.087 29.724 29.762 -0.208 0.000 1.671 148 H HN 0.854 nan 8.280 nan 0.000 0.541 149 W N 0.139 120.882 121.300 -0.927 0.000 1.266 149 W HA -0.199 4.462 4.660 0.000 0.000 0.245 149 W C -0.393 176.034 176.519 -0.153 0.000 1.005 149 W CA 0.503 57.503 57.345 -0.574 0.000 0.396 149 W CB -2.088 27.167 29.460 -0.342 0.000 2.016 149 W HN 0.580 nan 8.180 nan 0.000 1.120 150 D N 1.093 121.485 120.400 -0.013 0.000 2.973 150 D HA 0.397 5.037 4.640 0.001 0.000 0.263 150 D C 0.223 176.719 176.300 0.327 0.000 1.266 150 D CA -0.399 53.782 54.000 0.303 0.000 0.975 150 D CB -0.220 40.781 40.800 0.334 0.000 1.032 150 D HN 0.096 nan 8.370 nan 0.000 0.510 151 L N 1.259 122.741 121.223 0.431 0.000 2.453 151 L HA 0.251 4.591 4.340 0.001 0.000 0.272 151 L C -2.374 174.431 176.870 -0.107 0.000 1.182 151 L CA -1.235 53.733 54.840 0.214 0.000 0.858 151 L CB 0.299 42.439 42.059 0.136 0.000 1.120 151 L HN -0.028 nan 8.230 nan 0.000 0.474 152 P HA -0.012 nan 4.420 nan 0.000 0.265 152 P C -0.243 176.902 177.300 -0.258 0.000 1.193 152 P CA 0.077 62.974 63.100 -0.340 0.000 0.765 152 P CB 0.598 31.948 31.700 -0.583 0.000 0.823 153 Q N 4.566 124.286 119.800 -0.134 0.000 2.181 153 Q HA -0.203 4.137 4.340 0.001 0.000 0.205 153 Q C 1.913 177.841 176.000 -0.119 0.000 0.980 153 Q CA 2.307 58.048 55.803 -0.104 0.000 0.862 153 Q CB -1.078 27.633 28.738 -0.044 0.000 0.905 153 Q HN 0.517 nan 8.270 nan 0.000 0.429 154 A N -0.223 122.518 122.820 -0.132 0.000 2.024 154 A HA -0.119 4.201 4.320 0.001 0.000 0.220 154 A C 1.929 179.422 177.584 -0.152 0.000 1.164 154 A CA 1.394 53.367 52.037 -0.107 0.000 0.643 154 A CB -0.519 18.435 19.000 -0.077 0.000 0.806 154 A HN 0.460 nan 8.150 nan 0.000 0.451 155 L N -1.721 119.333 121.223 -0.282 0.000 2.202 155 L HA -0.074 4.266 4.340 0.001 0.000 0.205 155 L C 2.655 179.391 176.870 -0.222 0.000 1.083 155 L CA 1.106 55.761 54.840 -0.309 0.000 0.790 155 L CB -0.457 41.278 42.059 -0.539 0.000 0.942 155 L HN 0.404 nan 8.230 nan 0.000 0.452 156 Q N 0.852 120.527 119.800 -0.209 0.000 2.181 156 Q HA -0.229 4.112 4.340 0.001 0.000 0.205 156 Q C 1.497 177.464 176.000 -0.054 0.000 0.980 156 Q CA 1.697 57.433 55.803 -0.111 0.000 0.862 156 Q CB -0.187 28.501 28.738 -0.083 0.000 0.905 156 Q HN 0.339 nan 8.270 nan 0.000 0.429 157 D N -0.580 119.787 120.400 -0.055 0.000 2.310 157 D HA -0.078 4.562 4.640 0.001 0.000 0.212 157 D C 1.031 177.329 176.300 -0.003 0.000 0.965 157 D CA 0.631 54.618 54.000 -0.022 0.000 0.879 157 D CB 0.075 40.863 40.800 -0.019 0.000 0.921 157 D HN 0.358 nan 8.370 nan 0.000 0.510 158 L N -1.126 120.095 121.223 -0.004 0.000 2.591 158 L HA 0.224 4.564 4.340 0.001 0.000 0.228 158 L C 1.649 178.522 176.870 0.005 0.000 1.133 158 L CA 0.414 55.267 54.840 0.022 0.000 0.880 158 L CB 0.189 42.291 42.059 0.073 0.000 1.033 158 L HN 0.136 nan 8.230 nan 0.000 0.450 159 G N -1.260 107.539 108.800 -0.002 0.000 2.284 159 G HA2 -0.089 3.871 3.960 0.001 0.000 0.201 159 G HA3 -0.089 3.871 3.960 0.001 0.000 0.201 159 G C 0.742 175.647 174.900 0.009 0.000 0.998 159 G CA -0.332 44.775 45.100 0.011 0.000 0.651 159 G HN 0.671 nan 8.290 nan 0.000 0.489 160 G N -0.460 108.294 108.800 -0.076 0.000 2.552 160 G HA2 -0.271 3.689 3.960 0.001 0.000 0.265 160 G HA3 -0.271 3.689 3.960 0.001 0.000 0.265 160 G C 0.872 175.603 174.900 -0.282 0.000 1.234 160 G CA 0.884 45.868 45.100 -0.193 0.000 0.944 160 G HN 1.053 nan 8.290 nan 0.000 0.568 161 W N 0.970 122.215 121.300 -0.090 0.000 2.342 161 W HA 0.080 4.741 4.660 0.000 0.000 0.297 161 W C -0.034 176.325 176.519 -0.265 0.000 1.213 161 W CA 1.811 59.055 57.345 -0.168 0.000 1.251 161 W CB -1.148 28.285 29.460 -0.044 0.000 1.136 161 W HN 0.434 nan 8.180 nan 0.000 0.526 162 P HA -0.155 nan 4.420 nan 0.000 0.223 162 P C 0.256 177.519 177.300 -0.062 0.000 1.144 162 P CA 1.407 64.408 63.100 -0.165 0.000 0.783 162 P CB -0.091 31.475 31.700 -0.223 0.000 0.771 163 N N 0.440 119.101 118.700 -0.065 0.000 2.420 163 N HA 0.036 4.776 4.740 0.001 0.000 0.249 163 N C 0.862 176.341 175.510 -0.052 0.000 1.033 163 N CA -0.279 52.739 53.050 -0.054 0.000 0.944 163 N CB 0.350 38.801 38.487 -0.060 0.000 1.113 163 N HN -0.196 nan 8.380 nan 0.000 0.502 164 L N 5.616 126.816 121.223 -0.037 0.000 2.349 164 L HA -0.137 4.203 4.340 0.001 0.000 0.220 164 L C 2.013 178.805 176.870 -0.131 0.000 1.130 164 L CA 1.359 56.173 54.840 -0.044 0.000 0.791 164 L CB -0.523 41.500 42.059 -0.061 0.000 0.918 164 L HN 0.585 nan 8.230 nan 0.000 0.444 165 V N -3.872 115.921 119.914 -0.202 0.000 2.568 165 V HA -0.237 3.884 4.120 0.001 0.000 0.253 165 V C 2.300 177.955 176.094 -0.732 0.000 1.072 165 V CA 1.541 63.592 62.300 -0.416 0.000 1.084 165 V CB -1.047 30.546 31.823 -0.382 0.000 0.676 165 V HN 0.353 nan 8.190 nan 0.000 0.469 166 L N 0.920 121.883 121.223 -0.434 0.000 2.353 166 L HA 0.092 4.433 4.340 0.001 0.000 0.220 166 L C 2.743 179.640 176.870 0.045 0.000 1.133 166 L CA 1.727 56.407 54.840 -0.267 0.000 0.798 166 L CB -1.080 40.810 42.059 -0.281 0.000 0.922 166 L HN 0.412 nan 8.230 nan 0.000 0.445 167 A N -0.642 122.213 122.820 0.059 0.000 1.898 167 A HA -0.227 4.093 4.320 0.001 0.000 0.216 167 A C 2.371 180.056 177.584 0.168 0.000 1.181 167 A CA 1.749 53.910 52.037 0.208 0.000 0.620 167 A CB -0.351 18.751 19.000 0.170 0.000 0.819 167 A HN 0.273 nan 8.150 nan 0.000 0.442 168 K N -1.036 119.380 120.400 0.025 0.000 2.097 168 K HA -0.098 4.222 4.320 0.001 0.000 0.205 168 K C 1.592 178.342 176.600 0.250 0.000 1.050 168 K CA 1.353 57.695 56.287 0.092 0.000 0.938 168 K CB -0.546 31.973 32.500 0.032 0.000 0.718 168 K HN 0.486 nan 8.250 nan 0.000 0.442 169 Y N 0.525 120.943 120.300 0.197 0.000 2.274 169 Y HA -0.051 4.499 4.550 0.001 0.000 0.290 169 Y C 2.419 178.519 175.900 0.333 0.000 1.145 169 Y CA 0.900 59.149 58.100 0.248 0.000 1.203 169 Y CB -0.891 37.681 38.460 0.187 0.000 0.984 169 Y HN 0.023 nan 8.280 nan 0.000 0.533 170 S N -0.316 115.685 115.700 0.502 0.000 2.368 170 S HA -0.197 4.274 4.470 0.001 0.000 0.224 170 S C 2.004 176.695 174.600 0.152 0.000 1.029 170 S CA 1.199 59.609 58.200 0.351 0.000 0.988 170 S CB -0.238 63.294 63.200 0.553 0.000 0.838 170 S HN 0.577 nan 8.310 nan 0.000 0.462 171 E N 1.537 121.850 120.200 0.188 0.000 2.058 171 E HA -0.231 4.119 4.350 0.001 0.000 0.194 171 E C 1.491 178.137 176.600 0.077 0.000 0.997 171 E CA 1.321 57.794 56.400 0.121 0.000 0.801 171 E CB -0.129 29.670 29.700 0.164 0.000 0.746 171 E HN 0.318 nan 8.360 nan 0.000 0.450 172 N N -0.221 118.567 118.700 0.147 0.000 2.188 172 N HA -0.167 4.573 4.740 0.001 0.000 0.184 172 N C 1.563 177.114 175.510 0.070 0.000 1.018 172 N CA 1.060 54.191 53.050 0.135 0.000 0.858 172 N CB -0.584 38.026 38.487 0.206 0.000 0.989 172 N HN 0.340 nan 8.380 nan 0.000 0.426 173 Y N 1.552 121.756 120.300 -0.159 0.000 2.181 173 Y HA -0.029 4.521 4.550 0.001 0.000 0.288 173 Y C 2.193 177.821 175.900 -0.453 0.000 1.146 173 Y CA 1.325 59.182 58.100 -0.405 0.000 1.164 173 Y CB -0.750 37.112 38.460 -0.996 0.000 0.982 173 Y HN 0.050 nan 8.280 nan 0.000 0.515 174 A N 0.932 123.365 122.820 -0.644 0.000 1.933 174 A HA -0.205 4.116 4.320 0.001 0.000 0.218 174 A C 2.473 179.539 177.584 -0.862 0.000 1.175 174 A CA 1.755 53.196 52.037 -0.995 0.000 0.628 174 A CB -0.874 17.628 19.000 -0.831 0.000 0.814 174 A HN 0.542 nan 8.150 nan 0.000 0.444 175 R N -0.315 119.989 120.500 -0.325 0.000 2.091 175 R HA -0.120 4.220 4.340 0.001 0.000 0.238 175 R C 1.897 178.093 176.300 -0.174 0.000 1.136 175 R CA 1.865 57.925 56.100 -0.066 0.000 0.959 175 R CB -0.432 29.953 30.300 0.142 0.000 0.856 175 R HN 0.317 nan 8.270 nan 0.000 0.437 176 V N 1.470 121.270 119.914 -0.191 0.000 2.407 176 V HA -0.254 3.866 4.120 0.001 0.000 0.248 176 V C 2.362 178.269 176.094 -0.312 0.000 1.055 176 V CA 1.661 63.861 62.300 -0.166 0.000 1.049 176 V CB -0.379 31.410 31.823 -0.056 0.000 0.662 176 V HN 0.341 nan 8.190 nan 0.000 0.455 177 L N -1.503 119.442 121.223 -0.464 0.000 2.027 177 L HA -0.119 4.221 4.340 0.001 0.000 0.206 177 L C 2.513 179.182 176.870 -0.335 0.000 1.074 177 L CA 1.548 56.167 54.840 -0.367 0.000 0.745 177 L CB -0.742 40.978 42.059 -0.565 0.000 0.898 177 L HN 0.238 nan 8.230 nan 0.000 0.433 178 F N 0.736 120.279 119.950 -0.678 0.000 2.102 178 F HA -0.213 4.314 4.527 0.001 0.000 0.298 178 F C 2.669 178.071 175.800 -0.663 0.000 1.105 178 F CA 1.337 58.808 58.000 -0.883 0.000 1.239 178 F CB -0.821 37.123 39.000 -1.761 0.000 0.991 178 F HN 0.036 nan 8.300 nan 0.000 0.474 179 K N 0.267 120.453 120.400 -0.358 0.000 2.063 179 K HA -0.189 4.132 4.320 0.001 0.000 0.208 179 K C 1.810 178.351 176.600 -0.098 0.000 1.048 179 K CA 1.754 58.017 56.287 -0.039 0.000 0.928 179 K CB -0.204 32.337 32.500 0.068 0.000 0.713 179 K HN 0.229 nan 8.250 nan 0.000 0.442 180 N N -0.807 117.700 118.700 -0.322 0.000 2.333 180 N HA -0.038 4.702 4.740 0.001 0.000 0.178 180 N C 1.008 176.259 175.510 -0.432 0.000 1.018 180 N CA 0.973 53.702 53.050 -0.534 0.000 0.882 180 N CB 0.188 38.051 38.487 -1.039 0.000 0.984 180 N HN 0.182 nan 8.380 nan 0.000 0.434 181 F N -0.758 119.282 119.950 0.150 0.000 2.746 181 F HA 0.378 4.905 4.527 0.001 0.000 0.313 181 F C 2.190 178.136 175.800 0.243 0.000 1.095 181 F CA -0.503 57.607 58.000 0.183 0.000 1.224 181 F CB -0.519 38.598 39.000 0.195 0.000 1.060 181 F HN -0.121 nan 8.300 nan 0.000 0.584 182 G N 0.686 109.759 108.800 0.455 0.000 2.534 182 G HA2 -0.192 3.768 3.960 0.001 0.000 0.217 182 G HA3 -0.192 3.768 3.960 0.001 0.000 0.217 182 G C 1.376 176.463 174.900 0.312 0.000 1.128 182 G CA 1.017 46.427 45.100 0.516 0.000 0.784 182 G HN 0.431 nan 8.290 nan 0.000 0.542 183 D N 0.471 121.004 120.400 0.223 0.000 2.264 183 D HA -0.086 4.555 4.640 0.001 0.000 0.208 183 D C 2.105 178.486 176.300 0.135 0.000 0.966 183 D CA 0.613 54.708 54.000 0.158 0.000 0.864 183 D CB -0.144 40.731 40.800 0.124 0.000 0.933 183 D HN 0.353 nan 8.370 nan 0.000 0.499 184 R N -0.452 120.134 120.500 0.144 0.000 2.369 184 R HA 0.251 4.591 4.340 0.001 0.000 0.210 184 R C 0.019 176.337 176.300 0.029 0.000 0.881 184 R CA -0.086 56.066 56.100 0.088 0.000 1.031 184 R CB 1.501 31.856 30.300 0.091 0.000 1.184 184 R HN -0.047 nan 8.270 nan 0.000 0.581 185 V N 2.409 122.330 119.914 0.012 0.000 2.383 185 V HA 0.187 4.307 4.120 0.001 0.000 0.275 185 V C 0.348 176.335 176.094 -0.178 0.000 1.036 185 V CA -0.125 62.034 62.300 -0.234 0.000 0.889 185 V CB 1.646 33.108 31.823 -0.602 0.000 0.985 185 V HN 0.097 nan 8.190 nan 0.000 0.459 186 K N 4.544 124.817 120.400 -0.212 0.000 2.402 186 K HA 0.441 4.761 4.320 0.001 0.000 0.204 186 K C -0.503 176.014 176.600 -0.138 0.000 1.056 186 K CA 0.159 56.408 56.287 -0.063 0.000 1.069 186 K CB 0.907 33.410 32.500 0.004 0.000 0.888 186 K HN 0.464 nan 8.250 nan 0.000 0.546 187 L N 0.486 121.479 121.223 -0.383 0.000 2.406 187 L HA 0.467 4.807 4.340 0.001 0.000 0.272 187 L C -1.456 175.152 176.870 -0.437 0.000 0.980 187 L CA -0.810 53.859 54.840 -0.285 0.000 0.831 187 L CB 1.423 43.281 42.059 -0.334 0.000 1.253 187 L HN -0.063 nan 8.230 nan 0.000 0.406 188 W N 4.233 125.528 121.300 -0.009 0.000 2.915 188 W HA 0.648 5.309 4.660 0.001 0.000 0.337 188 W C -1.078 175.435 176.519 -0.009 0.000 1.102 188 W CA -0.595 56.708 57.345 -0.071 0.000 1.224 188 W CB 1.866 31.267 29.460 -0.098 0.000 1.416 188 W HN 0.020 nan 8.180 nan 0.000 0.503 189 L N 2.625 123.951 121.223 0.171 0.000 2.362 189 L HA 0.333 4.674 4.340 0.001 0.000 0.275 189 L C 1.312 178.211 176.870 0.048 0.000 0.998 189 L CA -0.455 54.433 54.840 0.080 0.000 0.820 189 L CB 1.356 43.435 42.059 0.033 0.000 1.270 189 L HN 0.771 nan 8.230 nan 0.000 0.415 190 T N 0.017 114.605 114.554 0.056 0.000 2.668 190 T HA 0.042 4.392 4.350 0.001 0.000 0.258 190 T C 0.563 175.055 174.700 -0.347 0.000 1.051 190 T CA 0.933 62.961 62.100 -0.120 0.000 1.155 190 T CB -0.081 68.876 68.868 0.149 0.000 0.864 190 T HN 0.155 nan 8.240 nan 0.000 0.413 191 F N 1.422 121.488 119.950 0.192 0.000 2.546 191 F HA 0.581 5.109 4.527 0.001 0.000 0.320 191 F C -0.138 175.753 175.800 0.151 0.000 1.076 191 F CA -1.596 56.555 58.000 0.252 0.000 0.928 191 F CB 1.653 40.791 39.000 0.229 0.000 1.189 191 F HN 0.044 nan 8.300 nan 0.000 0.465 192 N N 1.768 120.681 118.700 0.354 0.000 2.457 192 N HA 0.224 4.965 4.740 0.001 0.000 0.250 192 N C -1.091 174.596 175.510 0.296 0.000 0.982 192 N CA -0.031 53.069 53.050 0.084 0.000 0.941 192 N CB 0.432 38.653 38.487 -0.444 0.000 1.120 192 N HN 0.574 nan 8.380 nan 0.000 0.505 193 D N 3.518 123.983 120.400 0.107 0.000 3.038 193 D HA -0.120 4.521 4.640 0.001 0.000 0.229 193 D C -1.689 174.538 176.300 -0.121 0.000 1.182 193 D CA 0.093 54.110 54.000 0.028 0.000 0.852 193 D CB 0.217 41.100 40.800 0.138 0.000 0.932 193 D HN 0.485 nan 8.370 nan 0.000 0.406 194 P HA -0.132 nan 4.420 nan 0.000 0.223 194 P C 1.920 178.670 177.300 -0.916 0.000 1.151 194 P CA 0.175 62.388 63.100 -1.479 0.000 0.787 194 P CB 0.236 30.968 31.700 -1.613 0.000 0.788 195 L N 0.386 121.294 121.223 -0.525 0.000 2.042 195 L HA -0.113 4.227 4.340 0.001 0.000 0.210 195 L C 2.155 178.864 176.870 -0.269 0.000 1.076 195 L CA 2.277 57.021 54.840 -0.159 0.000 0.749 195 L CB -1.579 40.444 42.059 -0.060 0.000 0.893 195 L HN -0.084 nan 8.230 nan 0.000 0.432 196 T N -0.270 114.086 114.554 -0.331 0.000 2.809 196 T HA -0.121 4.229 4.350 0.001 0.000 0.260 196 T C 1.579 175.957 174.700 -0.537 0.000 1.039 196 T CA 1.579 63.431 62.100 -0.412 0.000 1.141 196 T CB -0.509 68.112 68.868 -0.413 0.000 0.869 196 T HN 0.575 nan 8.240 nan 0.000 0.437 197 F N 2.360 121.893 119.950 -0.695 0.000 2.365 197 F HA 0.061 4.588 4.527 0.000 0.000 0.300 197 F C 2.187 177.836 175.800 -0.252 0.000 1.090 197 F CA 0.432 58.024 58.000 -0.681 0.000 1.408 197 F CB -0.992 37.532 39.000 -0.793 0.000 1.060 197 F HN 0.079 nan 8.300 nan 0.000 0.534 198 M N 0.345 119.733 119.600 -0.354 0.000 2.358 198 M HA -0.106 4.374 4.480 0.001 0.000 0.264 198 M C 1.202 177.515 176.300 0.021 0.000 1.064 198 M CA 2.141 57.399 55.300 -0.069 0.000 1.093 198 M CB -0.934 31.569 32.600 -0.162 0.000 1.401 198 M HN 0.164 nan 8.290 nan 0.000 0.440 199 D N 0.998 121.318 120.400 -0.133 0.000 2.350 199 D HA 0.006 4.647 4.640 0.001 0.000 0.216 199 D C 2.134 178.334 176.300 -0.166 0.000 0.968 199 D CA 1.263 55.173 54.000 -0.150 0.000 0.894 199 D CB -0.146 40.530 40.800 -0.206 0.000 0.909 199 D HN 0.548 nan 8.370 nan 0.000 0.520 200 G N -0.967 107.716 108.800 -0.195 0.000 2.535 200 G HA2 -0.234 3.726 3.960 0.001 0.000 0.218 200 G HA3 -0.234 3.726 3.960 0.001 0.000 0.218 200 G C 0.541 175.120 174.900 -0.535 0.000 1.122 200 G CA 0.450 45.330 45.100 -0.366 0.000 0.769 200 G HN 0.365 nan 8.290 nan 0.000 0.549 201 Y N -0.586 119.676 120.300 -0.064 0.000 2.607 201 Y HA 0.548 5.098 4.550 0.001 0.000 0.266 201 Y C 1.655 177.501 175.900 -0.090 0.000 1.178 201 Y CA -0.032 58.035 58.100 -0.054 0.000 1.226 201 Y CB 0.684 39.138 38.460 -0.010 0.000 1.144 201 Y HN 0.182 nan 8.280 nan 0.000 0.528 202 A N -0.821 121.970 122.820 -0.048 0.000 2.609 202 A HA 0.521 4.841 4.320 0.001 0.000 0.286 202 A C 0.307 177.825 177.584 -0.110 0.000 1.138 202 A CA 0.061 52.053 52.037 -0.075 0.000 0.960 202 A CB 0.369 19.314 19.000 -0.093 0.000 1.208 202 A HN 0.055 nan 8.150 nan 0.000 0.541 203 S N -1.074 114.540 115.700 -0.144 0.000 2.542 203 S HA 0.290 4.760 4.470 0.001 0.000 0.276 203 S C 0.075 174.547 174.600 -0.213 0.000 1.148 203 S CA 0.001 58.096 58.200 -0.175 0.000 0.886 203 S CB 1.492 64.577 63.200 -0.191 0.000 1.109 203 S HN 0.342 nan 8.310 nan 0.000 0.458 204 E N 2.375 122.444 120.200 -0.218 0.000 2.358 204 E HA 0.049 4.399 4.350 0.001 0.000 0.195 204 E C 1.229 177.576 176.600 -0.422 0.000 1.010 204 E CA 1.278 57.535 56.400 -0.239 0.000 0.856 204 E CB -0.032 29.566 29.700 -0.171 0.000 0.795 204 E HN 0.738 nan 8.360 nan 0.000 0.504 205 I N -3.632 116.615 120.570 -0.537 0.000 4.009 205 I HA 0.469 4.639 4.170 0.001 0.000 0.331 205 I C 0.791 176.457 176.117 -0.752 0.000 1.462 205 I CA -0.617 60.074 61.300 -1.015 0.000 1.117 205 I CB 0.775 38.314 38.000 -0.767 0.000 1.091 205 I HN -0.075 nan 8.210 nan 0.000 0.410 206 G N 1.150 109.685 108.800 -0.441 0.000 2.782 206 G HA2 0.433 4.394 3.960 0.001 0.000 0.201 206 G HA3 0.433 4.394 3.960 0.001 0.000 0.201 206 G C 0.177 174.959 174.900 -0.197 0.000 1.374 206 G CA -0.832 44.112 45.100 -0.259 0.000 1.039 206 G HN 0.005 nan 8.290 nan 0.000 0.576 207 M N 0.923 120.435 119.600 -0.146 0.000 2.234 207 M HA 0.156 4.637 4.480 0.001 0.000 0.326 207 M C 1.040 177.130 176.300 -0.350 0.000 1.077 207 M CA -0.345 54.884 55.300 -0.118 0.000 1.052 207 M CB -0.014 32.484 32.600 -0.169 0.000 1.607 207 M HN 0.542 nan 8.290 nan 0.000 0.445 208 A N 6.210 128.622 122.820 -0.681 0.000 2.531 208 A HA 0.245 4.566 4.320 0.001 0.000 0.236 208 A C -1.445 175.847 177.584 -0.488 0.000 1.062 208 A CA -0.713 50.875 52.037 -0.749 0.000 0.760 208 A CB -0.573 17.618 19.000 -1.348 0.000 0.995 208 A HN 0.674 nan 8.150 nan 0.000 0.501 209 P HA 0.116 nan 4.420 nan 0.000 0.258 209 P C -0.359 176.739 177.300 -0.336 0.000 1.416 209 P CA 0.142 63.000 63.100 -0.404 0.000 0.927 209 P CB -0.095 31.418 31.700 -0.312 0.000 1.444 210 S N -0.614 114.866 115.700 -0.368 0.000 3.711 210 S HA -0.151 4.319 4.470 0.001 0.000 0.374 210 S C 0.318 174.780 174.600 -0.230 0.000 0.969 210 S CA 0.345 58.377 58.200 -0.280 0.000 1.198 210 S CB -2.504 60.593 63.200 -0.171 0.000 0.903 210 S HN 0.378 nan 8.310 nan 0.000 0.493 211 I N 1.232 121.657 120.570 -0.242 0.000 2.404 211 I HA 0.313 4.484 4.170 0.001 0.000 0.293 211 I C 0.497 176.558 176.117 -0.093 0.000 0.992 211 I CA -0.682 60.541 61.300 -0.127 0.000 1.149 211 I CB 1.521 39.494 38.000 -0.045 0.000 1.315 211 I HN 0.112 nan 8.210 nan 0.000 0.446 212 N N 4.252 122.910 118.700 -0.071 0.000 3.188 212 N HA 0.110 4.850 4.740 0.001 0.000 0.279 212 N C -0.145 175.347 175.510 -0.030 0.000 1.213 212 N CA -0.213 52.795 53.050 -0.070 0.000 1.138 212 N CB 0.145 38.581 38.487 -0.086 0.000 1.417 212 N HN 0.643 nan 8.380 nan 0.000 0.526 213 T N -0.616 113.937 114.554 -0.003 0.000 3.516 213 T HA 0.353 4.703 4.350 0.001 0.000 0.245 213 T C -2.702 171.991 174.700 -0.011 0.000 1.077 213 T CA -1.681 60.426 62.100 0.013 0.000 1.222 213 T CB 0.520 69.416 68.868 0.047 0.000 1.045 213 T HN 0.162 nan 8.240 nan 0.000 0.585 214 P HA 0.245 nan 4.420 nan 0.000 0.266 214 P C 1.204 178.463 177.300 -0.067 0.000 1.195 214 P CA 0.952 64.014 63.100 -0.064 0.000 0.768 214 P CB 0.491 32.165 31.700 -0.042 0.000 0.838 215 G N 2.024 110.725 108.800 -0.165 0.000 2.189 215 G HA2 -0.283 3.677 3.960 0.001 0.000 0.267 215 G HA3 -0.283 3.677 3.960 0.001 0.000 0.267 215 G C 0.556 175.455 174.900 -0.002 0.000 0.975 215 G CA 0.550 45.571 45.100 -0.132 0.000 0.644 215 G HN 0.541 nan 8.290 nan 0.000 0.537 216 I N -1.663 118.885 120.570 -0.037 0.000 3.557 216 I HA 0.251 4.421 4.170 0.001 0.000 0.259 216 I C 2.584 178.701 176.117 0.001 0.000 1.108 216 I CA 0.557 61.866 61.300 0.015 0.000 1.536 216 I CB -0.658 37.345 38.000 0.004 0.000 1.727 216 I HN 0.035 nan 8.210 nan 0.000 0.408 217 G N 1.684 110.477 108.800 -0.011 0.000 2.421 217 G HA2 -0.198 3.763 3.960 0.001 0.000 0.217 217 G HA3 -0.198 3.763 3.960 0.001 0.000 0.217 217 G C 1.105 175.977 174.900 -0.046 0.000 1.143 217 G CA 1.196 46.287 45.100 -0.016 0.000 0.784 217 G HN 0.517 nan 8.290 nan 0.000 0.541 218 D N 0.493 120.860 120.400 -0.056 0.000 2.117 218 D HA -0.174 4.466 4.640 0.001 0.000 0.197 218 D C 1.883 178.110 176.300 -0.121 0.000 0.987 218 D CA 0.815 54.759 54.000 -0.093 0.000 0.829 218 D CB -0.772 39.922 40.800 -0.176 0.000 0.961 218 D HN 0.357 nan 8.370 nan 0.000 0.460 219 Y N 0.821 121.061 120.300 -0.099 0.000 2.224 219 Y HA 0.024 4.574 4.550 0.001 0.000 0.289 219 Y C 2.598 178.431 175.900 -0.112 0.000 1.146 219 Y CA 0.416 58.424 58.100 -0.153 0.000 1.182 219 Y CB -0.659 37.672 38.460 -0.215 0.000 0.983 219 Y HN -0.031 nan 8.280 nan 0.000 0.524 220 L N -0.969 120.283 121.223 0.049 0.000 2.046 220 L HA -0.244 4.096 4.340 0.001 0.000 0.208 220 L C 2.656 179.556 176.870 0.051 0.000 1.077 220 L CA 1.123 55.974 54.840 0.017 0.000 0.747 220 L CB -0.830 41.209 42.059 -0.034 0.000 0.896 220 L HN 0.222 nan 8.230 nan 0.000 0.432 221 A N 0.035 122.835 122.820 -0.033 0.000 1.908 221 A HA -0.213 4.107 4.320 0.001 0.000 0.218 221 A C 2.542 180.157 177.584 0.052 0.000 1.181 221 A CA 1.824 53.856 52.037 -0.008 0.000 0.627 221 A CB -0.763 18.163 19.000 -0.124 0.000 0.818 221 A HN 0.412 nan 8.150 nan 0.000 0.445 222 A N -1.148 121.703 122.820 0.051 0.000 1.908 222 A HA -0.219 4.102 4.320 0.001 0.000 0.218 222 A C 2.035 179.738 177.584 0.199 0.000 1.181 222 A CA 2.214 54.312 52.037 0.103 0.000 0.627 222 A CB -0.917 18.063 19.000 -0.034 0.000 0.818 222 A HN 0.713 nan 8.150 nan 0.000 0.445 223 H N -0.322 118.825 119.070 0.128 0.000 2.321 223 H HA -0.084 4.473 4.556 0.001 0.000 0.300 223 H C 2.274 177.784 175.328 0.303 0.000 1.087 223 H CA 2.336 58.502 56.048 0.196 0.000 1.319 223 H CB -0.259 29.550 29.762 0.079 0.000 1.379 223 H HN 0.435 nan 8.280 nan 0.000 0.501 224 T N -0.596 114.152 114.554 0.322 0.000 2.746 224 T HA -0.136 4.214 4.350 0.001 0.000 0.267 224 T C 2.270 177.129 174.700 0.265 0.000 1.039 224 T CA 1.337 63.627 62.100 0.317 0.000 1.142 224 T CB -0.513 68.559 68.868 0.340 0.000 0.866 224 T HN 0.108 nan 8.240 nan 0.000 0.444 225 V N 1.323 121.269 119.914 0.054 0.000 2.343 225 V HA -0.144 3.977 4.120 0.001 0.000 0.247 225 V C 2.363 178.392 176.094 -0.108 0.000 1.051 225 V CA 1.445 63.531 62.300 -0.357 0.000 1.036 225 V CB -0.606 30.774 31.823 -0.739 0.000 0.654 225 V HN 0.481 nan 8.190 nan 0.000 0.451 226 I N -1.071 119.542 120.570 0.071 0.000 2.226 226 I HA -0.240 3.930 4.170 0.001 0.000 0.245 226 I C 2.558 178.744 176.117 0.115 0.000 1.100 226 I CA 1.459 62.814 61.300 0.092 0.000 1.374 226 I CB -0.606 37.425 38.000 0.053 0.000 1.057 226 I HN 0.375 nan 8.210 nan 0.000 0.413 227 H N 0.612 119.763 119.070 0.135 0.000 2.353 227 H HA -0.122 4.435 4.556 0.001 0.000 0.300 227 H C 2.349 177.818 175.328 0.235 0.000 1.090 227 H CA 1.753 57.897 56.048 0.160 0.000 1.327 227 H CB -0.150 29.683 29.762 0.119 0.000 1.383 227 H HN 0.375 nan 8.280 nan 0.000 0.508 228 A N 0.579 123.641 122.820 0.404 0.000 1.877 228 A HA -0.247 4.073 4.320 0.001 0.000 0.216 228 A C 2.219 180.083 177.584 0.466 0.000 1.186 228 A CA 2.021 54.333 52.037 0.458 0.000 0.620 228 A CB -0.975 18.399 19.000 0.623 0.000 0.822 228 A HN 0.578 nan 8.150 nan 0.000 0.443 229 H N 0.119 119.458 119.070 0.449 0.000 2.319 229 H HA -0.074 4.482 4.556 0.001 0.000 0.297 229 H C 2.098 177.584 175.328 0.263 0.000 1.097 229 H CA 2.396 58.678 56.048 0.389 0.000 1.285 229 H CB -0.316 29.614 29.762 0.280 0.000 1.368 229 H HN 0.384 nan 8.280 nan 0.000 0.495 230 A N 0.852 123.760 122.820 0.146 0.000 1.902 230 A HA -0.140 4.180 4.320 0.001 0.000 0.217 230 A C 2.474 180.219 177.584 0.269 0.000 1.181 230 A CA 1.528 53.642 52.037 0.128 0.000 0.623 230 A CB -0.481 18.650 19.000 0.218 0.000 0.818 230 A HN 0.512 nan 8.150 nan 0.000 0.443 231 R N -0.615 120.108 120.500 0.371 0.000 2.081 231 R HA -0.061 4.279 4.340 0.001 0.000 0.235 231 R C 1.976 178.428 176.300 0.252 0.000 1.131 231 R CA 1.599 57.921 56.100 0.369 0.000 0.960 231 R CB -0.491 29.992 30.300 0.305 0.000 0.856 231 R HN 0.582 nan 8.270 nan 0.000 0.436 232 I N -0.596 120.073 120.570 0.165 0.000 2.252 232 I HA -0.302 3.868 4.170 0.001 0.000 0.245 232 I C 2.238 178.427 176.117 0.120 0.000 1.102 232 I CA 1.241 62.606 61.300 0.109 0.000 1.385 232 I CB -0.298 37.696 38.000 -0.011 0.000 1.064 232 I HN 0.140 nan 8.210 nan 0.000 0.414 233 Y N 1.072 121.293 120.300 -0.132 0.000 2.200 233 Y HA -0.281 4.269 4.550 0.001 0.000 0.290 233 Y C 2.790 178.624 175.900 -0.110 0.000 1.137 233 Y CA 1.754 59.749 58.100 -0.175 0.000 1.163 233 Y CB -0.274 37.966 38.460 -0.368 0.000 0.988 233 Y HN 0.179 nan 8.280 nan 0.000 0.518 234 H N -0.834 118.254 119.070 0.030 0.000 2.387 234 H HA -0.170 4.386 4.556 0.001 0.000 0.299 234 H C 2.201 177.513 175.328 -0.025 0.000 1.090 234 H CA 1.649 57.675 56.048 -0.037 0.000 1.332 234 H CB -0.325 29.397 29.762 -0.068 0.000 1.386 234 H HN 0.398 nan 8.280 nan 0.000 0.516 235 L N 0.542 121.872 121.223 0.179 0.000 2.012 235 L HA -0.227 4.113 4.340 0.001 0.000 0.210 235 L C 2.389 179.322 176.870 0.105 0.000 1.073 235 L CA 1.549 56.494 54.840 0.176 0.000 0.748 235 L CB -0.939 41.289 42.059 0.281 0.000 0.891 235 L HN 0.090 nan 8.230 nan 0.000 0.431 236 Y N 0.645 120.849 120.300 -0.160 0.000 2.128 236 Y HA -0.281 4.270 4.550 0.001 0.000 0.284 236 Y C 2.319 178.000 175.900 -0.365 0.000 1.154 236 Y CA 2.128 59.937 58.100 -0.485 0.000 1.149 236 Y CB -0.465 37.508 38.460 -0.811 0.000 0.976 236 Y HN 0.339 nan 8.280 nan 0.000 0.505 237 D N -0.250 119.946 120.400 -0.341 0.000 2.116 237 D HA -0.223 4.417 4.640 0.001 0.000 0.193 237 D C 2.122 178.262 176.300 -0.267 0.000 0.998 237 D CA 1.970 55.773 54.000 -0.328 0.000 0.836 237 D CB -0.357 40.286 40.800 -0.261 0.000 0.951 237 D HN 0.538 nan 8.370 nan 0.000 0.449 238 Q N -0.284 119.405 119.800 -0.186 0.000 2.137 238 Q HA -0.010 4.330 4.340 0.001 0.000 0.198 238 Q C 1.595 177.433 176.000 -0.269 0.000 0.960 238 Q CA 0.833 56.538 55.803 -0.163 0.000 0.847 238 Q CB 0.181 28.877 28.738 -0.070 0.000 0.915 238 Q HN 0.376 nan 8.270 nan 0.000 0.448 239 E N -1.644 118.322 120.200 -0.390 0.000 2.490 239 E HA 0.097 4.448 4.350 0.001 0.000 0.209 239 E C 0.383 176.282 176.600 -1.168 0.000 0.971 239 E CA 0.186 56.140 56.400 -0.744 0.000 0.988 239 E CB 0.645 29.833 29.700 -0.853 0.000 1.029 239 E HN 0.229 nan 8.360 nan 0.000 0.496 240 F N -0.858 118.798 119.950 -0.490 0.000 2.835 240 F HA 0.250 4.778 4.527 0.001 0.000 0.341 240 F C 2.019 177.332 175.800 -0.813 0.000 0.940 240 F CA -0.458 57.162 58.000 -0.634 0.000 1.125 240 F CB 0.339 38.861 39.000 -0.797 0.000 0.974 240 F HN -0.223 nan 8.300 nan 0.000 0.601 241 R N 1.450 121.421 120.500 -0.881 0.000 2.081 241 R HA -0.119 4.221 4.340 0.001 0.000 0.235 241 R C 2.241 178.350 176.300 -0.319 0.000 1.131 241 R CA 1.555 57.207 56.100 -0.746 0.000 0.960 241 R CB -0.350 29.607 30.300 -0.572 0.000 0.856 241 R HN 0.253 nan 8.270 nan 0.000 0.436 242 A N 1.050 123.713 122.820 -0.261 0.000 1.908 242 A HA -0.165 4.155 4.320 0.001 0.000 0.218 242 A C 1.927 179.445 177.584 -0.110 0.000 1.181 242 A CA 1.514 53.458 52.037 -0.154 0.000 0.627 242 A CB -0.337 18.577 19.000 -0.143 0.000 0.818 242 A HN 0.374 nan 8.150 nan 0.000 0.445 243 E N -0.467 119.662 120.200 -0.119 0.000 2.076 243 E HA -0.123 4.227 4.350 0.001 0.000 0.190 243 E C 2.158 178.752 176.600 -0.011 0.000 0.979 243 E CA 1.189 57.557 56.400 -0.054 0.000 0.807 243 E CB -0.212 29.465 29.700 -0.040 0.000 0.761 243 E HN 0.798 nan 8.360 nan 0.000 0.454 244 Q N -0.814 118.976 119.800 -0.017 0.000 2.349 244 Q HA 0.122 4.463 4.340 0.001 0.000 0.209 244 Q C 0.976 177.037 176.000 0.102 0.000 0.920 244 Q CA 0.555 56.402 55.803 0.075 0.000 0.901 244 Q CB 0.687 29.518 28.738 0.155 0.000 1.021 244 Q HN 0.331 nan 8.270 nan 0.000 0.519 245 G N 1.216 110.052 108.800 0.060 0.000 2.221 245 G HA2 -0.248 3.713 3.960 0.001 0.000 0.265 245 G HA3 -0.248 3.713 3.960 0.001 0.000 0.265 245 G C 0.269 175.271 174.900 0.169 0.000 1.041 245 G CA 0.127 45.281 45.100 0.089 0.000 0.807 245 G HN 0.486 nan 8.290 nan 0.000 0.502 246 G N -1.205 107.788 108.800 0.322 0.000 2.583 246 G HA2 0.698 4.659 3.960 0.001 0.000 0.280 246 G HA3 0.698 4.659 3.960 0.001 0.000 0.280 246 G C -0.388 174.676 174.900 0.274 0.000 1.376 246 G CA -0.641 44.638 45.100 0.298 0.000 1.043 246 G HN 0.278 nan 8.290 nan 0.000 0.538 247 K N -0.693 119.826 120.400 0.199 0.000 2.422 247 K HA 0.587 4.907 4.320 0.001 0.000 0.251 247 K C -1.407 175.370 176.600 0.295 0.000 0.933 247 K CA -0.664 55.775 56.287 0.253 0.000 0.798 247 K CB 2.350 35.030 32.500 0.301 0.000 1.238 247 K HN 0.216 nan 8.250 nan 0.000 0.428 248 V N 1.269 121.327 119.914 0.239 0.000 2.483 248 V HA 0.684 4.805 4.120 0.001 0.000 0.297 248 V C 0.387 176.514 176.094 0.056 0.000 1.027 248 V CA -0.643 61.750 62.300 0.155 0.000 0.855 248 V CB 1.693 33.485 31.823 -0.052 0.000 0.995 248 V HN 0.944 nan 8.190 nan 0.000 0.424 249 G N 3.370 111.980 108.800 -0.317 0.000 3.251 249 G HA2 0.870 4.831 3.960 0.001 0.000 0.248 249 G HA3 0.870 4.831 3.960 0.001 0.000 0.248 249 G C -1.464 173.343 174.900 -0.155 0.000 1.320 249 G CA -0.647 44.070 45.100 -0.638 0.000 0.982 249 G HN 0.679 nan 8.290 nan 0.000 0.575 250 I N -0.735 119.745 120.570 -0.149 0.000 2.802 250 I HA 0.574 4.745 4.170 0.001 0.000 0.298 250 I C -0.973 175.124 176.117 -0.034 0.000 1.176 250 I CA -0.683 60.604 61.300 -0.022 0.000 1.025 250 I CB 2.321 40.247 38.000 -0.123 0.000 1.243 250 I HN 0.393 nan 8.210 nan 0.000 0.424 251 S N 7.021 122.726 115.700 0.008 0.000 2.433 251 S HA 0.643 5.113 4.470 0.001 0.000 0.310 251 S C -0.716 173.868 174.600 -0.027 0.000 1.097 251 S CA -0.545 57.661 58.200 0.009 0.000 1.103 251 S CB 0.924 64.136 63.200 0.019 0.000 0.992 251 S HN 0.348 nan 8.310 nan 0.000 0.469 252 L N 3.480 124.687 121.223 -0.027 0.000 2.341 252 L HA 0.527 4.867 4.340 0.001 0.000 0.278 252 L C 0.090 176.975 176.870 0.024 0.000 1.005 252 L CA -0.821 53.991 54.840 -0.048 0.000 0.818 252 L CB 1.398 43.426 42.059 -0.052 0.000 1.259 252 L HN 0.502 nan 8.230 nan 0.000 0.418 253 N N 3.238 121.944 118.700 0.010 0.000 2.479 253 N HA 0.535 5.276 4.740 0.001 0.000 0.285 253 N C -1.463 174.094 175.510 0.080 0.000 1.075 253 N CA -0.190 52.896 53.050 0.060 0.000 0.967 253 N CB 1.842 40.337 38.487 0.013 0.000 1.137 253 N HN 0.489 nan 8.380 nan 0.000 0.472 254 I N 2.567 123.232 120.570 0.159 0.000 2.775 254 I HA 0.367 4.537 4.170 0.001 0.000 0.295 254 I C -1.444 174.821 176.117 0.248 0.000 1.287 254 I CA -0.682 60.735 61.300 0.196 0.000 1.029 254 I CB 1.823 39.959 38.000 0.226 0.000 1.282 254 I HN 0.447 nan 8.210 nan 0.000 0.426 255 N N 5.144 124.002 118.700 0.264 0.000 2.472 255 N HA 0.277 5.018 4.740 0.001 0.000 0.289 255 N C -1.249 174.502 175.510 0.402 0.000 1.156 255 N CA -0.465 52.686 53.050 0.168 0.000 0.940 255 N CB 1.664 40.186 38.487 0.059 0.000 1.200 255 N HN 0.659 nan 8.380 nan 0.000 0.511 256 W N 1.408 122.890 121.300 0.304 0.000 2.190 256 W HA 0.225 4.885 4.660 0.000 0.000 0.330 256 W C -0.703 175.824 176.519 0.014 0.000 1.299 256 W CA -0.431 57.047 57.345 0.223 0.000 1.215 256 W CB 0.837 30.428 29.460 0.218 0.000 1.147 256 W HN 0.227 nan 8.180 nan 0.000 0.563 257 C N 6.864 125.424 119.300 -1.233 0.000 2.321 257 C HA 0.281 4.741 4.460 0.001 0.000 0.323 257 C C -0.292 174.046 174.990 -1.087 0.000 1.191 257 C CA -0.516 57.898 59.018 -1.006 0.000 1.455 257 C CB 0.102 27.304 27.740 -0.898 0.000 2.083 257 C HN 0.664 nan 8.230 nan 0.000 0.442 258 E N 6.371 126.318 120.200 -0.421 0.000 2.227 258 E HA 0.525 4.875 4.350 0.001 0.000 0.282 258 E C -2.535 174.124 176.600 0.098 0.000 1.015 258 E CA -1.901 54.569 56.400 0.117 0.000 0.823 258 E CB 1.093 31.187 29.700 0.657 0.000 1.081 258 E HN 0.451 nan 8.360 nan 0.000 0.396 259 P HA 0.025 nan 4.420 nan 0.000 0.267 259 P C -0.311 177.052 177.300 0.105 0.000 1.205 259 P CA 0.210 63.363 63.100 0.089 0.000 0.765 259 P CB 1.164 32.929 31.700 0.108 0.000 0.828 260 A N 3.414 126.271 122.820 0.062 0.000 1.940 260 A HA -0.051 4.269 4.320 0.001 0.000 0.219 260 A C 1.086 178.702 177.584 0.053 0.000 1.176 260 A CA 2.112 54.180 52.037 0.052 0.000 0.631 260 A CB -1.028 17.983 19.000 0.018 0.000 0.814 260 A HN 0.606 nan 8.150 nan 0.000 0.446 261 T N -5.141 109.443 114.554 0.050 0.000 2.887 261 T HA 0.427 4.777 4.350 0.001 0.000 0.292 261 T C 0.019 174.754 174.700 0.058 0.000 1.087 261 T CA -0.220 61.909 62.100 0.048 0.000 1.009 261 T CB 1.257 70.144 68.868 0.031 0.000 1.203 261 T HN -0.001 nan 8.240 nan 0.000 0.518 262 N N 0.945 119.677 118.700 0.055 0.000 2.501 262 N HA 0.075 4.815 4.740 0.001 0.000 0.195 262 N C 0.535 176.077 175.510 0.053 0.000 1.213 262 N CA 0.085 53.171 53.050 0.060 0.000 0.864 262 N CB -0.431 38.087 38.487 0.052 0.000 0.999 262 N HN 0.746 nan 8.380 nan 0.000 0.454 263 S N -1.644 114.083 115.700 0.045 0.000 2.593 263 S HA 0.406 4.876 4.470 0.001 0.000 0.269 263 S C 1.544 176.171 174.600 0.045 0.000 1.334 263 S CA -0.268 57.955 58.200 0.039 0.000 1.015 263 S CB 1.464 64.681 63.200 0.029 0.000 0.912 263 S HN 0.211 nan 8.310 nan 0.000 0.541 264 A N 1.405 124.249 122.820 0.041 0.000 1.933 264 A HA -0.072 4.248 4.320 0.001 0.000 0.218 264 A C 1.984 179.593 177.584 0.042 0.000 1.175 264 A CA 1.759 53.824 52.037 0.045 0.000 0.628 264 A CB -1.128 17.896 19.000 0.039 0.000 0.814 264 A HN 0.915 nan 8.150 nan 0.000 0.444 265 E N 0.427 120.646 120.200 0.032 0.000 2.077 265 E HA -0.146 4.204 4.350 0.001 0.000 0.193 265 E C 1.468 178.083 176.600 0.025 0.000 0.989 265 E CA 1.420 57.834 56.400 0.025 0.000 0.800 265 E CB -0.220 29.489 29.700 0.015 0.000 0.746 265 E HN 0.556 nan 8.360 nan 0.000 0.452 266 D N -0.031 120.387 120.400 0.028 0.000 2.183 266 D HA -0.043 4.597 4.640 0.001 0.000 0.203 266 D C 1.814 178.137 176.300 0.038 0.000 0.969 266 D CA 0.642 54.658 54.000 0.027 0.000 0.842 266 D CB -0.090 40.728 40.800 0.030 0.000 0.957 266 D HN 0.081 nan 8.370 nan 0.000 0.484 267 R N 0.692 121.226 120.500 0.056 0.000 2.081 267 R HA -0.042 4.298 4.340 0.001 0.000 0.235 267 R C 2.234 178.580 176.300 0.075 0.000 1.131 267 R CA 1.220 57.366 56.100 0.077 0.000 0.960 267 R CB -0.279 30.080 30.300 0.098 0.000 0.856 267 R HN 0.095 nan 8.270 nan 0.000 0.436 268 A N 1.145 124.004 122.820 0.065 0.000 1.940 268 A HA -0.213 4.107 4.320 0.001 0.000 0.219 268 A C 2.247 179.865 177.584 0.058 0.000 1.176 268 A CA 2.032 54.109 52.037 0.067 0.000 0.631 268 A CB -0.583 18.448 19.000 0.051 0.000 0.814 268 A HN 0.466 nan 8.150 nan 0.000 0.446 269 S N -1.007 114.714 115.700 0.035 0.000 2.402 269 S HA -0.174 4.296 4.470 0.001 0.000 0.229 269 S C 1.907 176.528 174.600 0.034 0.000 1.021 269 S CA 1.386 59.599 58.200 0.021 0.000 0.974 269 S CB -1.216 61.984 63.200 -0.000 0.000 0.800 269 S HN 0.576 nan 8.310 nan 0.000 0.484 270 C N 1.492 120.800 119.300 0.013 0.000 2.446 270 C HA 0.109 4.569 4.460 0.001 0.000 0.277 270 C C 2.827 177.824 174.990 0.013 0.000 1.275 270 C CA 1.005 60.000 59.018 -0.037 0.000 1.727 270 C CB -1.295 26.367 27.740 -0.131 0.000 2.010 270 C HN 0.741 nan 8.230 nan 0.000 0.486 271 E N 1.893 122.141 120.200 0.080 0.000 2.077 271 E HA -0.144 4.206 4.350 0.001 0.000 0.193 271 E C 1.836 178.525 176.600 0.148 0.000 0.989 271 E CA 1.477 57.972 56.400 0.158 0.000 0.800 271 E CB -0.344 29.487 29.700 0.219 0.000 0.746 271 E HN 0.501 nan 8.360 nan 0.000 0.452 272 N N -0.369 118.413 118.700 0.137 0.000 2.069 272 N HA -0.214 4.527 4.740 0.001 0.000 0.191 272 N C 1.629 177.248 175.510 0.183 0.000 1.031 272 N CA 1.496 54.649 53.050 0.172 0.000 0.852 272 N CB -0.801 37.728 38.487 0.070 0.000 1.018 272 N HN 0.323 nan 8.380 nan 0.000 0.423 273 Y N 2.009 122.311 120.300 0.003 0.000 2.114 273 Y HA -0.246 4.305 4.550 0.001 0.000 0.282 273 Y C 2.281 178.154 175.900 -0.044 0.000 1.165 273 Y CA 1.786 59.873 58.100 -0.020 0.000 1.148 273 Y CB -0.277 38.122 38.460 -0.101 0.000 0.972 273 Y HN 0.050 nan 8.280 nan 0.000 0.504 274 Q N -0.014 119.673 119.800 -0.190 0.000 2.096 274 Q HA -0.213 4.128 4.340 0.001 0.000 0.204 274 Q C 2.109 177.973 176.000 -0.227 0.000 0.982 274 Q CA 1.671 57.190 55.803 -0.473 0.000 0.850 274 Q CB -0.398 27.708 28.738 -1.055 0.000 0.901 274 Q HN 0.622 nan 8.270 nan 0.000 0.422 275 Q N -0.742 119.066 119.800 0.013 0.000 2.172 275 Q HA -0.021 4.320 4.340 0.001 0.000 0.200 275 Q C 1.849 177.844 176.000 -0.008 0.000 0.964 275 Q CA 0.755 56.621 55.803 0.106 0.000 0.855 275 Q CB -0.193 28.634 28.738 0.149 0.000 0.918 275 Q HN 0.346 nan 8.270 nan 0.000 0.444 276 F N 0.852 120.732 119.950 -0.118 0.000 2.661 276 F HA 0.019 4.547 4.527 0.001 0.000 0.298 276 F C 1.839 177.533 175.800 -0.177 0.000 1.137 276 F CA 0.601 58.528 58.000 -0.122 0.000 1.454 276 F CB 0.302 39.250 39.000 -0.087 0.000 1.103 276 F HN 0.134 nan 8.300 nan 0.000 0.577 277 N N -1.227 117.383 118.700 -0.150 0.000 2.612 277 N HA 0.039 4.779 4.740 0.001 0.000 0.224 277 N C 1.529 176.996 175.510 -0.072 0.000 1.051 277 N CA 0.369 53.294 53.050 -0.210 0.000 0.889 277 N CB 0.007 38.139 38.487 -0.592 0.000 1.449 277 N HN 0.171 nan 8.380 nan 0.000 0.442 278 L N 1.306 122.486 121.223 -0.072 0.000 2.200 278 L HA 0.361 4.701 4.340 0.001 0.000 0.200 278 L C 2.069 179.056 176.870 0.194 0.000 1.072 278 L CA 1.506 56.399 54.840 0.089 0.000 0.787 278 L CB -0.990 41.140 42.059 0.119 0.000 0.957 278 L HN 0.074 nan 8.230 nan 0.000 0.459 279 G N -0.015 108.916 108.800 0.218 0.000 2.448 279 G HA2 -0.269 3.691 3.960 0.001 0.000 0.219 279 G HA3 -0.269 3.691 3.960 0.001 0.000 0.219 279 G C 1.568 176.578 174.900 0.184 0.000 1.127 279 G CA 0.946 46.239 45.100 0.321 0.000 0.766 279 G HN 0.407 nan 8.290 nan 0.000 0.552 280 L N -0.672 120.556 121.223 0.009 0.000 2.043 280 L HA -0.109 4.231 4.340 0.001 0.000 0.212 280 L C 2.375 179.157 176.870 -0.147 0.000 1.075 280 L CA 1.797 56.551 54.840 -0.144 0.000 0.752 280 L CB -0.452 41.397 42.059 -0.349 0.000 0.891 280 L HN 0.354 nan 8.230 nan 0.000 0.432 281 Y N -1.681 118.679 120.300 0.100 0.000 2.500 281 Y HA 0.314 4.864 4.550 0.001 0.000 0.284 281 Y C 2.365 178.291 175.900 0.043 0.000 1.118 281 Y CA 0.542 58.670 58.100 0.048 0.000 1.241 281 Y CB -0.452 37.983 38.460 -0.042 0.000 1.171 281 Y HN 0.186 nan 8.280 nan 0.000 0.540 282 A N -0.840 122.099 122.820 0.198 0.000 2.021 282 A HA -0.133 4.187 4.320 0.001 0.000 0.216 282 A C 1.941 179.596 177.584 0.119 0.000 1.163 282 A CA 1.101 53.174 52.037 0.060 0.000 0.676 282 A CB -0.760 18.014 19.000 -0.377 0.000 0.818 282 A HN 0.495 nan 8.150 nan 0.000 0.453 283 H N 0.675 119.866 119.070 0.201 0.000 2.353 283 H HA -0.049 4.508 4.556 0.001 0.000 0.300 283 H C -0.801 174.563 175.328 0.059 0.000 1.090 283 H CA 2.061 58.243 56.048 0.223 0.000 1.327 283 H CB -0.758 29.134 29.762 0.216 0.000 1.383 283 H HN 0.274 nan 8.280 nan 0.000 0.508 284 P HA -0.079 nan 4.420 nan 0.000 0.218 284 P C 1.509 178.683 177.300 -0.211 0.000 1.149 284 P CA 1.370 64.380 63.100 -0.151 0.000 0.817 284 P CB 0.015 31.513 31.700 -0.337 0.000 0.785 285 I N -3.570 116.888 120.570 -0.187 0.000 2.810 285 I HA -0.010 4.160 4.170 0.001 0.000 0.262 285 I C 1.452 177.286 176.117 -0.471 0.000 1.131 285 I CA 0.894 61.982 61.300 -0.354 0.000 1.453 285 I CB -0.162 37.543 38.000 -0.491 0.000 1.161 285 I HN -0.213 nan 8.210 nan 0.000 0.444 286 F N 0.821 120.582 119.950 -0.316 0.000 2.749 286 F HA 0.094 4.621 4.527 0.001 0.000 0.300 286 F C 1.448 177.174 175.800 -0.123 0.000 1.103 286 F CA -0.092 57.649 58.000 -0.432 0.000 1.342 286 F CB -0.007 38.546 39.000 -0.744 0.000 1.098 286 F HN -0.019 nan 8.300 nan 0.000 0.586 287 T N -3.235 111.322 114.554 0.006 0.000 2.944 287 T HA 0.229 4.580 4.350 0.001 0.000 0.284 287 T C 1.105 175.772 174.700 -0.055 0.000 1.010 287 T CA -0.648 61.429 62.100 -0.039 0.000 1.025 287 T CB 1.636 70.311 68.868 -0.322 0.000 1.079 287 T HN -0.063 nan 8.240 nan 0.000 0.516 288 E N 0.691 120.870 120.200 -0.035 0.000 2.152 288 E HA -0.072 4.279 4.350 0.001 0.000 0.192 288 E C 1.826 178.405 176.600 -0.035 0.000 0.983 288 E CA 1.040 57.425 56.400 -0.025 0.000 0.818 288 E CB -0.052 29.644 29.700 -0.007 0.000 0.758 288 E HN 0.761 nan 8.360 nan 0.000 0.467 289 E N 0.283 120.458 120.200 -0.041 0.000 2.107 289 E HA 0.063 4.413 4.350 0.001 0.000 0.191 289 E C 1.150 177.750 176.600 0.000 0.000 0.982 289 E CA 0.755 57.159 56.400 0.006 0.000 0.809 289 E CB -0.196 29.555 29.700 0.086 0.000 0.756 289 E HN 0.287 nan 8.360 nan 0.000 0.459 290 G N 0.752 109.514 108.800 -0.063 0.000 2.698 290 G HA2 -0.233 3.727 3.960 0.001 0.000 0.233 290 G HA3 -0.233 3.727 3.960 0.001 0.000 0.233 290 G C -0.414 174.546 174.900 0.100 0.000 1.352 290 G CA -0.363 44.701 45.100 -0.060 0.000 0.879 290 G HN 0.402 nan 8.290 nan 0.000 0.567 291 D N -3.777 116.597 120.400 -0.044 0.000 10.579 291 D HA -0.129 4.511 4.640 0.001 0.000 0.361 291 D C 0.133 176.508 176.300 0.125 0.000 3.052 291 D CA 1.217 55.223 54.000 0.010 0.000 2.480 291 D CB -0.682 40.183 40.800 0.108 0.000 1.162 291 D HN 0.902 nan 8.370 nan 0.000 0.997 292 Y N 0.146 120.558 120.300 0.186 0.000 2.426 292 Y HA 0.281 4.832 4.550 0.001 0.000 0.344 292 Y C -1.120 174.634 175.900 -0.243 0.000 1.256 292 Y CA -1.137 56.969 58.100 0.011 0.000 1.451 292 Y CB -0.355 38.069 38.460 -0.060 0.000 1.342 292 Y HN 0.158 nan 8.280 nan 0.000 0.600 293 P HA -0.004 nan 4.420 nan 0.000 0.266 293 P C -0.144 177.009 177.300 -0.246 0.000 1.195 293 P CA 0.584 63.407 63.100 -0.462 0.000 0.768 293 P CB 0.735 32.299 31.700 -0.225 0.000 0.838 294 A N 3.285 125.984 122.820 -0.201 0.000 1.908 294 A HA -0.185 4.135 4.320 0.001 0.000 0.218 294 A C 2.159 179.702 177.584 -0.068 0.000 1.181 294 A CA 2.069 54.051 52.037 -0.091 0.000 0.627 294 A CB -1.611 17.362 19.000 -0.045 0.000 0.818 294 A HN 0.466 nan 8.150 nan 0.000 0.445 295 V N -0.465 119.422 119.914 -0.044 0.000 2.594 295 V HA -0.178 3.942 4.120 0.001 0.000 0.253 295 V C 2.275 178.374 176.094 0.009 0.000 1.069 295 V CA 1.986 64.305 62.300 0.032 0.000 1.082 295 V CB -0.305 31.590 31.823 0.119 0.000 0.680 295 V HN 0.604 nan 8.190 nan 0.000 0.469 296 L N -0.491 120.583 121.223 -0.248 0.000 2.023 296 L HA -0.146 4.194 4.340 0.001 0.000 0.205 296 L C 2.708 179.369 176.870 -0.348 0.000 1.073 296 L CA 1.907 56.386 54.840 -0.602 0.000 0.745 296 L CB -0.360 41.185 42.059 -0.857 0.000 0.900 296 L HN 0.266 nan 8.230 nan 0.000 0.435 297 K N -0.314 119.937 120.400 -0.248 0.000 2.032 297 K HA -0.208 4.112 4.320 0.001 0.000 0.209 297 K C 1.685 178.215 176.600 -0.116 0.000 1.048 297 K CA 1.840 58.020 56.287 -0.178 0.000 0.927 297 K CB -0.267 32.182 32.500 -0.084 0.000 0.712 297 K HN 0.344 nan 8.250 nan 0.000 0.441 298 D N 0.269 120.632 120.400 -0.062 0.000 2.097 298 D HA -0.084 4.557 4.640 0.001 0.000 0.197 298 D C 2.032 178.330 176.300 -0.004 0.000 0.984 298 D CA 1.076 55.061 54.000 -0.025 0.000 0.826 298 D CB -0.101 40.697 40.800 -0.004 0.000 0.973 298 D HN 0.142 nan 8.370 nan 0.000 0.460 299 R N 0.342 120.869 120.500 0.045 0.000 2.092 299 R HA -0.032 4.308 4.340 0.001 0.000 0.231 299 R C 2.332 178.658 176.300 0.044 0.000 1.119 299 R CA 0.591 56.737 56.100 0.077 0.000 0.970 299 R CB -0.259 30.150 30.300 0.182 0.000 0.864 299 R HN 0.098 nan 8.270 nan 0.000 0.440 300 V N 0.212 120.132 119.914 0.009 0.000 2.453 300 V HA -0.218 3.902 4.120 0.001 0.000 0.247 300 V C 2.399 178.432 176.094 -0.101 0.000 1.048 300 V CA 1.923 64.178 62.300 -0.075 0.000 1.049 300 V CB -0.353 31.317 31.823 -0.255 0.000 0.672 300 V HN 0.343 nan 8.190 nan 0.000 0.457 301 S N -0.046 115.596 115.700 -0.098 0.000 2.359 301 S HA -0.273 4.197 4.470 0.001 0.000 0.224 301 S C 2.252 176.831 174.600 -0.036 0.000 1.035 301 S CA 2.047 60.201 58.200 -0.076 0.000 1.018 301 S CB -0.306 62.855 63.200 -0.065 0.000 0.876 301 S HN 0.560 nan 8.310 nan 0.000 0.448 302 R N 0.574 121.061 120.500 -0.020 0.000 2.066 302 R HA -0.059 4.281 4.340 0.001 0.000 0.232 302 R C 1.971 178.275 176.300 0.006 0.000 1.131 302 R CA 1.787 57.885 56.100 -0.004 0.000 0.955 302 R CB -0.453 29.846 30.300 -0.002 0.000 0.851 302 R HN 0.400 nan 8.270 nan 0.000 0.432 303 N N 0.264 118.966 118.700 0.004 0.000 2.120 303 N HA -0.103 4.637 4.740 0.001 0.000 0.188 303 N C 1.778 177.322 175.510 0.055 0.000 1.024 303 N CA 1.667 54.729 53.050 0.021 0.000 0.852 303 N CB -0.337 38.158 38.487 0.014 0.000 1.003 303 N HN 0.141 nan 8.380 nan 0.000 0.424 304 S N 0.786 116.499 115.700 0.022 0.000 2.368 304 S HA -0.059 4.411 4.470 0.001 0.000 0.225 304 S C 2.096 176.806 174.600 0.183 0.000 1.030 304 S CA 1.118 59.361 58.200 0.071 0.000 0.999 304 S CB -0.348 62.784 63.200 -0.114 0.000 0.844 304 S HN 0.508 nan 8.310 nan 0.000 0.459 305 A N 2.059 124.929 122.820 0.082 0.000 1.902 305 A HA -0.162 4.158 4.320 0.001 0.000 0.217 305 A C 1.781 179.403 177.584 0.063 0.000 1.181 305 A CA 1.721 53.800 52.037 0.069 0.000 0.623 305 A CB -0.683 18.336 19.000 0.030 0.000 0.818 305 A HN 0.343 nan 8.150 nan 0.000 0.443 306 D N -0.215 120.218 120.400 0.054 0.000 2.218 306 D HA -0.083 4.557 4.640 0.001 0.000 0.204 306 D C 1.509 177.834 176.300 0.041 0.000 0.976 306 D CA 0.895 54.917 54.000 0.036 0.000 0.853 306 D CB -0.151 40.664 40.800 0.025 0.000 0.939 306 D HN 0.394 nan 8.370 nan 0.000 0.481 307 E N -0.534 119.718 120.200 0.086 0.000 2.489 307 E HA 0.129 4.479 4.350 0.001 0.000 0.193 307 E C 1.366 177.936 176.600 -0.051 0.000 1.057 307 E CA 0.434 56.870 56.400 0.060 0.000 0.866 307 E CB 0.567 30.376 29.700 0.182 0.000 0.916 307 E HN 0.328 nan 8.360 nan 0.000 0.500 308 G N 0.759 109.554 108.800 -0.008 0.000 2.176 308 G HA2 -0.273 3.687 3.960 0.001 0.000 0.232 308 G HA3 -0.273 3.687 3.960 0.001 0.000 0.232 308 G C -0.076 174.769 174.900 -0.092 0.000 0.986 308 G CA -0.158 44.898 45.100 -0.073 0.000 0.643 308 G HN 0.218 nan 8.290 nan 0.000 0.522 309 Y N 1.078 121.370 120.300 -0.014 0.000 2.497 309 Y HA 0.356 4.907 4.550 0.001 0.000 0.334 309 Y C 2.230 178.118 175.900 -0.020 0.000 1.199 309 Y CA 1.081 59.172 58.100 -0.017 0.000 1.425 309 Y CB 0.769 39.218 38.460 -0.019 0.000 1.291 309 Y HN 0.058 nan 8.280 nan 0.000 0.562 310 T N 0.882 115.512 114.554 0.126 0.000 2.821 310 T HA -0.096 4.255 4.350 0.001 0.000 0.267 310 T C -0.033 174.703 174.700 0.060 0.000 1.046 310 T CA 1.221 63.361 62.100 0.067 0.000 1.139 310 T CB -0.127 68.764 68.868 0.039 0.000 0.871 310 T HN 0.533 nan 8.240 nan 0.000 0.454 311 D N 0.825 121.270 120.400 0.074 0.000 2.350 311 D HA 0.322 4.962 4.640 0.001 0.000 0.245 311 D C -0.449 175.823 176.300 -0.047 0.000 1.036 311 D CA -0.200 53.803 54.000 0.005 0.000 0.848 311 D CB 1.781 42.573 40.800 -0.014 0.000 1.307 311 D HN 0.022 nan 8.370 nan 0.000 0.469 312 S N 0.715 116.358 115.700 -0.095 0.000 2.558 312 S HA -0.053 4.417 4.470 0.001 0.000 0.291 312 S C 1.342 175.788 174.600 -0.257 0.000 1.306 312 S CA 0.037 58.133 58.200 -0.174 0.000 1.056 312 S CB 0.439 63.534 63.200 -0.175 0.000 0.836 312 S HN 0.321 nan 8.310 nan 0.000 0.504 313 R N 1.592 121.880 120.500 -0.353 0.000 2.237 313 R HA 0.045 4.385 4.340 0.001 0.000 0.219 313 R C 0.219 176.316 176.300 -0.339 0.000 1.080 313 R CA 0.311 56.206 56.100 -0.342 0.000 0.995 313 R CB -0.180 29.919 30.300 -0.334 0.000 0.875 313 R HN 0.468 nan 8.270 nan 0.000 0.462 314 L N 1.976 122.922 121.223 -0.461 0.000 2.265 314 L HA 0.303 4.644 4.340 0.001 0.000 0.288 314 L C -2.324 174.273 176.870 -0.455 0.000 1.058 314 L CA -2.287 52.174 54.840 -0.631 0.000 0.809 314 L CB 0.916 42.543 42.059 -0.720 0.000 1.179 314 L HN -0.195 nan 8.230 nan 0.000 0.429 315 P HA 0.176 nan 4.420 nan 0.000 0.271 315 P C -1.408 175.566 177.300 -0.543 0.000 1.233 315 P CA -0.276 62.453 63.100 -0.618 0.000 0.789 315 P CB 0.437 31.477 31.700 -1.101 0.000 0.951 316 Q N 0.195 119.743 119.800 -0.420 0.000 2.345 316 Q HA 0.514 4.854 4.340 0.001 0.000 0.268 316 Q C -1.037 174.908 176.000 -0.093 0.000 1.054 316 Q CA -0.585 55.110 55.803 -0.181 0.000 0.835 316 Q CB 1.272 29.966 28.738 -0.072 0.000 1.339 316 Q HN 0.305 nan 8.270 nan 0.000 0.447 317 F N 0.770 120.826 119.950 0.176 0.000 2.404 317 F HA 0.255 4.782 4.527 0.001 0.000 0.339 317 F C 1.072 176.904 175.800 0.054 0.000 1.105 317 F CA -0.665 57.396 58.000 0.101 0.000 1.087 317 F CB 1.304 40.263 39.000 -0.070 0.000 1.143 317 F HN 0.437 nan 8.300 nan 0.000 0.491 318 T N -0.652 114.051 114.554 0.249 0.000 2.766 318 T HA 0.420 4.770 4.350 0.001 0.000 0.295 318 T C 1.255 176.024 174.700 0.115 0.000 1.024 318 T CA -0.242 61.942 62.100 0.139 0.000 1.018 318 T CB 1.132 70.060 68.868 0.100 0.000 1.002 318 T HN 0.682 nan 8.240 nan 0.000 0.532 319 A N -0.040 122.823 122.820 0.072 0.000 1.908 319 A HA -0.094 4.226 4.320 0.001 0.000 0.218 319 A C 2.315 179.923 177.584 0.040 0.000 1.181 319 A CA 1.940 54.007 52.037 0.050 0.000 0.627 319 A CB -1.180 17.843 19.000 0.037 0.000 0.818 319 A HN 1.046 nan 8.150 nan 0.000 0.445 320 E N -0.187 120.038 120.200 0.042 0.000 2.077 320 E HA -0.230 4.120 4.350 0.001 0.000 0.193 320 E C 1.886 178.512 176.600 0.043 0.000 0.989 320 E CA 1.414 57.835 56.400 0.035 0.000 0.800 320 E CB -0.131 29.581 29.700 0.019 0.000 0.746 320 E HN 0.757 nan 8.360 nan 0.000 0.452 321 E N -0.198 120.033 120.200 0.052 0.000 2.072 321 E HA -0.154 4.196 4.350 0.001 0.000 0.191 321 E C 2.185 178.731 176.600 -0.091 0.000 0.985 321 E CA 1.151 57.573 56.400 0.037 0.000 0.801 321 E CB 0.117 29.922 29.700 0.175 0.000 0.750 321 E HN 0.128 nan 8.360 nan 0.000 0.452 322 V N 1.443 121.298 119.914 -0.099 0.000 2.287 322 V HA -0.286 3.834 4.120 0.001 0.000 0.248 322 V C 2.399 178.423 176.094 -0.117 0.000 1.053 322 V CA 2.200 64.386 62.300 -0.189 0.000 1.027 322 V CB -0.419 31.359 31.823 -0.075 0.000 0.646 322 V HN 0.258 nan 8.190 nan 0.000 0.447 323 E N -0.402 119.783 120.200 -0.026 0.000 2.106 323 E HA -0.255 4.095 4.350 0.001 0.000 0.192 323 E C 2.043 178.670 176.600 0.046 0.000 0.984 323 E CA 1.583 57.985 56.400 0.003 0.000 0.806 323 E CB -0.559 29.159 29.700 0.029 0.000 0.750 323 E HN 0.674 nan 8.360 nan 0.000 0.458 324 Y N 0.224 120.487 120.300 -0.061 0.000 2.181 324 Y HA -0.094 4.457 4.550 0.001 0.000 0.288 324 Y C 1.879 177.804 175.900 0.041 0.000 1.146 324 Y CA 1.998 60.086 58.100 -0.021 0.000 1.164 324 Y CB -0.029 38.368 38.460 -0.106 0.000 0.982 324 Y HN 0.082 nan 8.280 nan 0.000 0.515 325 I N 0.537 121.105 120.570 -0.004 0.000 2.406 325 I HA -0.155 4.015 4.170 0.001 0.000 0.249 325 I C 1.035 177.025 176.117 -0.212 0.000 1.122 325 I CA 0.466 61.675 61.300 -0.151 0.000 1.431 325 I CB -0.310 37.456 38.000 -0.389 0.000 1.087 325 I HN 0.046 nan 8.210 nan 0.000 0.424 326 R N 1.517 121.897 120.500 -0.200 0.000 2.590 326 R HA 0.275 4.615 4.340 0.001 0.000 0.274 326 R C 0.829 176.996 176.300 -0.223 0.000 1.061 326 R CA 0.594 56.576 56.100 -0.196 0.000 1.081 326 R CB 0.195 30.407 30.300 -0.145 0.000 0.984 326 R HN 0.310 nan 8.270 nan 0.000 0.448 327 G N 1.662 110.315 108.800 -0.244 0.000 2.176 327 G HA2 -0.318 3.642 3.960 0.001 0.000 0.253 327 G HA3 -0.318 3.642 3.960 0.001 0.000 0.253 327 G C 0.292 174.724 174.900 -0.781 0.000 0.979 327 G CA 0.390 45.237 45.100 -0.421 0.000 0.641 327 G HN 0.909 nan 8.290 nan 0.000 0.530 328 T N -0.569 113.554 114.554 -0.719 0.000 4.313 328 T HA 0.551 4.901 4.350 0.001 0.000 0.272 328 T C 0.047 173.998 174.700 -1.248 0.000 1.298 328 T CA 0.389 61.724 62.100 -1.274 0.000 1.124 328 T CB -0.612 67.868 68.868 -0.647 0.000 1.352 328 T HN 1.451 nan 8.240 nan 0.000 1.013 329 H N -2.407 115.909 119.070 -1.257 0.000 3.094 329 H HA 0.538 5.095 4.556 0.001 0.000 0.346 329 H C -0.869 174.390 175.328 -0.114 0.000 1.238 329 H CA -1.093 54.612 56.048 -0.572 0.000 1.209 329 H CB 0.713 30.040 29.762 -0.725 0.000 1.911 329 H HN -0.012 nan 8.280 nan 0.000 0.540 330 D N 1.190 121.740 120.400 0.250 0.000 2.423 330 D HA 0.138 4.778 4.640 0.001 0.000 0.208 330 D C -0.102 176.534 176.300 0.560 0.000 1.068 330 D CA 0.810 55.035 54.000 0.376 0.000 0.860 330 D CB 0.956 42.016 40.800 0.433 0.000 0.992 330 D HN 0.438 nan 8.370 nan 0.000 0.504 331 F N -1.097 119.066 119.950 0.356 0.000 2.842 331 F HA 0.453 4.980 4.527 0.001 0.000 0.319 331 F C -2.234 173.795 175.800 0.382 0.000 1.159 331 F CA -1.617 56.581 58.000 0.330 0.000 0.902 331 F CB 1.009 40.149 39.000 0.234 0.000 1.311 331 F HN -0.297 nan 8.300 nan 0.000 0.453 332 L N 2.516 123.904 121.223 0.275 0.000 2.305 332 L HA 0.862 5.202 4.340 0.001 0.000 0.284 332 L C -0.093 176.872 176.870 0.159 0.000 1.013 332 L CA -0.364 54.447 54.840 -0.048 0.000 0.819 332 L CB 1.196 42.952 42.059 -0.505 0.000 1.227 332 L HN 0.953 nan 8.230 nan 0.000 0.417 333 G N 6.171 115.028 108.800 0.094 0.000 2.353 333 G HA2 0.534 4.495 3.960 0.001 0.000 0.284 333 G HA3 0.534 4.495 3.960 0.001 0.000 0.284 333 G C -0.684 174.299 174.900 0.138 0.000 1.172 333 G CA -0.400 44.832 45.100 0.220 0.000 0.854 333 G HN 0.482 nan 8.290 nan 0.000 0.485 334 I N 2.283 122.981 120.570 0.213 0.000 2.436 334 I HA 0.272 4.442 4.170 0.001 0.000 0.289 334 I C -0.931 175.316 176.117 0.217 0.000 1.010 334 I CA -1.238 60.188 61.300 0.209 0.000 1.098 334 I CB 1.855 40.022 38.000 0.279 0.000 1.266 334 I HN 0.312 nan 8.210 nan 0.000 0.434 335 N N 6.583 125.386 118.700 0.171 0.000 2.437 335 N HA 0.403 5.143 4.740 0.001 0.000 0.259 335 N C -1.124 174.510 175.510 0.206 0.000 0.983 335 N CA -0.184 52.944 53.050 0.130 0.000 0.937 335 N CB 1.568 40.115 38.487 0.100 0.000 1.122 335 N HN 0.400 nan 8.380 nan 0.000 0.499 336 F N 2.411 122.323 119.950 -0.062 0.000 2.539 336 F HA 0.379 4.906 4.527 0.001 0.000 0.318 336 F C -0.607 175.065 175.800 -0.213 0.000 1.135 336 F CA -0.551 57.427 58.000 -0.037 0.000 0.915 336 F CB 1.011 39.951 39.000 -0.099 0.000 1.176 336 F HN 0.421 nan 8.300 nan 0.000 0.440 337 Y N 2.042 121.974 120.300 -0.614 0.000 2.652 337 Y HA 0.320 4.870 4.550 0.001 0.000 0.274 337 Y C 0.995 176.754 175.900 -0.235 0.000 1.148 337 Y CA 0.465 58.462 58.100 -0.172 0.000 1.219 337 Y CB 0.739 39.319 38.460 0.200 0.000 1.337 337 Y HN 0.597 nan 8.280 nan 0.000 0.490 338 T N -0.881 113.439 114.554 -0.391 0.000 2.626 338 T HA 0.820 5.171 4.350 0.001 0.000 0.299 338 T C -1.824 172.755 174.700 -0.201 0.000 1.181 338 T CA -0.050 61.969 62.100 -0.133 0.000 1.053 338 T CB 1.023 69.968 68.868 0.128 0.000 1.566 338 T HN 0.094 nan 8.240 nan 0.000 0.486 339 A N 0.488 123.236 122.820 -0.120 0.000 2.527 339 A HA 0.918 5.238 4.320 0.001 0.000 0.293 339 A C -1.798 175.837 177.584 0.084 0.000 1.117 339 A CA -0.634 51.354 52.037 -0.081 0.000 0.723 339 A CB 1.198 20.025 19.000 -0.288 0.000 1.313 339 A HN 0.738 nan 8.150 nan 0.000 0.411 340 L N 0.041 121.310 121.223 0.076 0.000 2.327 340 L HA 0.592 4.932 4.340 0.001 0.000 0.258 340 L C -0.996 175.974 176.870 0.166 0.000 1.024 340 L CA -0.662 54.251 54.840 0.121 0.000 0.825 340 L CB 1.961 43.901 42.059 -0.198 0.000 1.386 340 L HN 0.594 nan 8.230 nan 0.000 0.417 341 L N 0.770 122.067 121.223 0.124 0.000 2.309 341 L HA 0.693 5.034 4.340 0.001 0.000 0.282 341 L C 0.248 177.093 176.870 -0.041 0.000 1.036 341 L CA -0.422 54.455 54.840 0.061 0.000 0.806 341 L CB 1.564 43.635 42.059 0.019 0.000 1.220 341 L HN 0.672 nan 8.230 nan 0.000 0.429 342 G N 2.454 111.218 108.800 -0.060 0.000 2.461 342 G HA2 0.634 4.594 3.960 0.001 0.000 0.323 342 G HA3 0.634 4.594 3.960 0.001 0.000 0.323 342 G C -1.210 173.677 174.900 -0.020 0.000 1.229 342 G CA -0.477 44.586 45.100 -0.062 0.000 0.941 342 G HN 0.635 nan 8.290 nan 0.000 0.477 343 K N 0.072 120.466 120.400 -0.012 0.000 2.395 343 K HA 0.733 5.053 4.320 0.001 0.000 0.247 343 K C -0.272 176.319 176.600 -0.015 0.000 0.973 343 K CA -0.742 55.541 56.287 -0.007 0.000 0.828 343 K CB 1.945 34.441 32.500 -0.007 0.000 1.272 343 K HN 0.357 nan 8.250 nan 0.000 0.439 344 S N 0.100 115.792 115.700 -0.013 0.000 2.549 344 S HA 0.508 4.978 4.470 0.001 0.000 0.286 344 S C 0.104 174.681 174.600 -0.039 0.000 1.314 344 S CA 1.129 59.316 58.200 -0.022 0.000 1.062 344 S CB -0.532 62.661 63.200 -0.012 0.000 0.865 344 S HN 1.013 nan 8.310 nan 0.000 0.498 345 G N 2.141 110.904 108.800 -0.060 0.000 2.368 345 G HA2 0.296 4.256 3.960 0.001 0.000 0.302 345 G HA3 0.296 4.256 3.960 0.001 0.000 0.302 345 G C -1.837 172.983 174.900 -0.133 0.000 1.329 345 G CA -0.360 44.691 45.100 -0.083 0.000 0.935 345 G HN 1.035 nan 8.290 nan 0.000 0.590 346 V N 1.239 121.059 119.914 -0.157 0.000 2.577 346 V HA 0.779 4.899 4.120 0.001 0.000 0.303 346 V C -0.066 175.873 176.094 -0.259 0.000 1.042 346 V CA -0.002 62.161 62.300 -0.228 0.000 0.872 346 V CB 1.427 33.143 31.823 -0.179 0.000 0.998 346 V HN 1.247 nan 8.190 nan 0.000 0.423 347 E N 3.492 123.443 120.200 -0.415 0.000 2.458 347 E HA 0.867 5.218 4.350 0.001 0.000 0.278 347 E C -0.249 176.030 176.600 -0.534 0.000 1.004 347 E CA -0.437 55.734 56.400 -0.381 0.000 0.823 347 E CB 2.486 32.038 29.700 -0.246 0.000 1.396 347 E HN 1.356 nan 8.360 nan 0.000 0.463 348 G N -0.457 108.129 108.800 -0.356 0.000 2.479 348 G HA2 -0.076 3.885 3.960 0.001 0.000 0.686 348 G HA3 -0.076 3.885 3.960 0.001 0.000 0.686 348 G C -1.465 173.250 174.900 -0.308 0.000 1.295 348 G CA -0.696 44.239 45.100 -0.274 0.000 0.922 348 G HN 0.414 nan 8.290 nan 0.000 0.582 349 Y N 0.163 120.466 120.300 0.004 0.000 2.301 349 Y HA 0.515 5.066 4.550 0.000 0.000 0.328 349 Y C 0.863 176.757 175.900 -0.010 0.000 1.242 349 Y CA 0.344 58.441 58.100 -0.005 0.000 1.323 349 Y CB 1.289 39.751 38.460 0.002 0.000 1.266 349 Y HN 0.695 nan 8.280 nan 0.000 0.527 350 E N 4.528 124.827 120.200 0.165 0.000 2.134 350 E HA 0.363 4.713 4.350 0.001 0.000 0.278 350 E C -2.723 173.950 176.600 0.122 0.000 0.959 350 E CA -2.229 54.235 56.400 0.106 0.000 0.783 350 E CB 0.593 30.339 29.700 0.075 0.000 1.095 350 E HN 0.309 nan 8.360 nan 0.000 0.399 351 P HA 0.495 nan 4.420 nan 0.000 0.287 351 P C -1.365 175.978 177.300 0.070 0.000 1.270 351 P CA -0.687 62.470 63.100 0.094 0.000 0.844 351 P CB 1.538 33.296 31.700 0.096 0.000 1.068 352 S N -0.230 115.502 115.700 0.053 0.000 2.567 352 S HA 0.337 4.807 4.470 0.001 0.000 0.270 352 S C 0.708 175.316 174.600 0.014 0.000 1.152 352 S CA -0.949 57.264 58.200 0.021 0.000 0.835 352 S CB 2.037 65.288 63.200 0.084 0.000 1.115 352 S HN 0.514 nan 8.310 nan 0.000 0.459 353 R N -0.318 120.145 120.500 -0.061 0.000 2.096 353 R HA -0.108 4.233 4.340 0.001 0.000 0.235 353 R C 1.820 178.168 176.300 0.081 0.000 1.127 353 R CA 1.637 57.749 56.100 0.020 0.000 0.968 353 R CB -0.573 29.661 30.300 -0.109 0.000 0.861 353 R HN 0.765 nan 8.270 nan 0.000 0.440 354 Y N 1.378 121.636 120.300 -0.071 0.000 2.181 354 Y HA -0.203 4.347 4.550 0.001 0.000 0.288 354 Y C 2.369 178.186 175.900 -0.138 0.000 1.146 354 Y CA 1.857 59.900 58.100 -0.095 0.000 1.164 354 Y CB -0.435 37.989 38.460 -0.060 0.000 0.982 354 Y HN -0.020 nan 8.280 nan 0.000 0.515 355 R N 0.112 120.488 120.500 -0.207 0.000 2.081 355 R HA -0.157 4.183 4.340 0.001 0.000 0.235 355 R C 1.757 177.897 176.300 -0.266 0.000 1.131 355 R CA 1.902 57.819 56.100 -0.305 0.000 0.960 355 R CB -0.328 29.877 30.300 -0.159 0.000 0.856 355 R HN 0.301 nan 8.270 nan 0.000 0.436 356 D N -0.109 120.191 120.400 -0.166 0.000 2.178 356 D HA -0.130 4.511 4.640 0.001 0.000 0.201 356 D C 1.845 177.775 176.300 -0.617 0.000 0.980 356 D CA 1.667 55.571 54.000 -0.161 0.000 0.842 356 D CB -0.117 40.785 40.800 0.169 0.000 0.948 356 D HN 0.354 nan 8.370 nan 0.000 0.472 357 S N -0.339 114.794 115.700 -0.944 0.000 2.481 357 S HA 0.069 4.539 4.470 0.001 0.000 0.231 357 S C 1.713 175.878 174.600 -0.725 0.000 0.996 357 S CA 0.867 58.134 58.200 -1.554 0.000 0.942 357 S CB -0.277 62.385 63.200 -0.897 0.000 0.768 357 S HN 0.303 nan 8.310 nan 0.000 0.520 358 G N 0.277 108.804 108.800 -0.456 0.000 2.295 358 G HA2 -0.155 3.806 3.960 0.001 0.000 0.287 358 G HA3 -0.155 3.806 3.960 0.001 0.000 0.287 358 G C -0.204 174.587 174.900 -0.182 0.000 1.055 358 G CA 0.330 45.267 45.100 -0.272 0.000 0.922 358 G HN 1.376 nan 8.290 nan 0.000 0.503 359 V N 0.050 119.857 119.914 -0.179 0.000 2.932 359 V HA 0.726 4.847 4.120 0.001 0.000 0.307 359 V C -0.296 175.774 176.094 -0.040 0.000 1.147 359 V CA -1.296 60.968 62.300 -0.060 0.000 0.951 359 V CB 1.898 33.743 31.823 0.036 0.000 1.031 359 V HN 0.355 nan 8.190 nan 0.000 0.426 360 I N 6.918 127.483 120.570 -0.009 0.000 2.312 360 I HA 0.415 4.585 4.170 0.001 0.000 0.290 360 I C -0.527 175.646 176.117 0.093 0.000 1.008 360 I CA -0.298 61.032 61.300 0.049 0.000 1.226 360 I CB 1.295 39.290 38.000 -0.008 0.000 1.371 360 I HN 0.391 nan 8.210 nan 0.000 0.468 361 L N 6.944 128.275 121.223 0.180 0.000 2.307 361 L HA 0.628 4.969 4.340 0.001 0.000 0.284 361 L C 0.259 177.138 176.870 0.015 0.000 1.023 361 L CA -0.276 54.593 54.840 0.049 0.000 0.810 361 L CB 1.783 43.836 42.059 -0.010 0.000 1.231 361 L HN 0.653 nan 8.230 nan 0.000 0.423 362 T N -0.528 114.019 114.554 -0.012 0.000 2.696 362 T HA 0.583 4.933 4.350 0.001 0.000 0.291 362 T C -0.794 173.897 174.700 -0.015 0.000 1.095 362 T CA -0.980 61.108 62.100 -0.019 0.000 1.026 362 T CB 2.045 70.889 68.868 -0.040 0.000 1.390 362 T HN 0.508 nan 8.240 nan 0.000 0.513 363 Q N -0.083 119.689 119.800 -0.048 0.000 2.433 363 Q HA 0.461 4.802 4.340 0.001 0.000 0.279 363 Q C -1.506 174.247 176.000 -0.412 0.000 1.105 363 Q CA -0.997 54.743 55.803 -0.106 0.000 0.815 363 Q CB 2.290 31.122 28.738 0.157 0.000 1.403 363 Q HN 0.705 nan 8.270 nan 0.000 0.435 364 D N 0.285 120.032 120.400 -1.088 0.000 2.308 364 D HA 0.217 4.857 4.640 0.001 0.000 0.251 364 D C 0.223 176.200 176.300 -0.537 0.000 1.127 364 D CA 0.039 53.457 54.000 -0.970 0.000 0.876 364 D CB 1.794 41.587 40.800 -1.678 0.000 1.176 364 D HN 0.694 nan 8.370 nan 0.000 0.446 365 A N 3.635 126.293 122.820 -0.270 0.000 2.125 365 A HA -0.019 4.302 4.320 0.001 0.000 0.219 365 A C 1.918 179.475 177.584 -0.045 0.000 1.156 365 A CA 1.581 53.556 52.037 -0.104 0.000 0.671 365 A CB -0.252 18.709 19.000 -0.064 0.000 0.794 365 A HN 0.617 nan 8.150 nan 0.000 0.459 366 A N -1.316 121.448 122.820 -0.094 0.000 2.067 366 A HA 0.104 4.424 4.320 0.001 0.000 0.217 366 A C 0.574 178.295 177.584 0.228 0.000 1.156 366 A CA -0.050 52.015 52.037 0.047 0.000 0.683 366 A CB -0.354 18.677 19.000 0.051 0.000 0.808 366 A HN 0.580 nan 8.150 nan 0.000 0.455 367 W N 0.626 121.993 121.300 0.111 0.000 2.181 367 W HA 0.372 5.033 4.660 0.001 0.000 0.335 367 W C -2.551 174.033 176.519 0.107 0.000 1.310 367 W CA -2.698 54.722 57.345 0.125 0.000 1.226 367 W CB -0.731 28.803 29.460 0.123 0.000 1.155 367 W HN 0.049 nan 8.180 nan 0.000 0.565 368 P HA 0.073 nan 4.420 nan 0.000 0.269 368 P C 0.131 177.571 177.300 0.234 0.000 1.209 368 P CA 0.023 63.259 63.100 0.228 0.000 0.776 368 P CB 0.547 32.357 31.700 0.184 0.000 0.876 369 I N -0.947 119.731 120.570 0.180 0.000 3.062 369 I HA 0.724 4.894 4.170 0.001 0.000 0.318 369 I C 0.261 176.438 176.117 0.101 0.000 1.026 369 I CA -0.687 60.683 61.300 0.117 0.000 1.096 369 I CB 1.782 39.821 38.000 0.065 0.000 1.348 369 I HN 0.376 nan 8.210 nan 0.000 0.543 370 S N 1.292 116.918 115.700 -0.124 0.000 2.971 370 S HA 0.730 5.201 4.470 0.001 0.000 0.320 370 S C 0.459 174.754 174.600 -0.509 0.000 1.111 370 S CA -0.243 57.672 58.200 -0.475 0.000 0.870 370 S CB 0.939 63.618 63.200 -0.868 0.000 1.331 370 S HN 0.951 nan 8.310 nan 0.000 0.635 371 A N 0.298 122.632 122.820 -0.809 0.000 2.278 371 A HA 0.556 4.876 4.320 0.001 0.000 0.212 371 A C 0.430 177.634 177.584 -0.634 0.000 1.213 371 A CA -0.191 51.290 52.037 -0.927 0.000 0.840 371 A CB -0.722 17.341 19.000 -1.561 0.000 0.866 371 A HN 0.582 nan 8.150 nan 0.000 0.489 372 S N -0.209 115.123 115.700 -0.612 0.000 2.519 372 S HA 0.311 4.781 4.470 0.001 0.000 0.309 372 S C 1.265 175.550 174.600 -0.525 0.000 1.100 372 S CA -0.020 57.840 58.200 -0.566 0.000 1.059 372 S CB 1.779 64.410 63.200 -0.947 0.000 1.008 372 S HN 0.592 nan 8.310 nan 0.000 0.478 373 S N 2.663 118.231 115.700 -0.220 0.000 2.402 373 S HA -0.147 4.323 4.470 0.001 0.000 0.233 373 S C 1.568 176.148 174.600 -0.033 0.000 1.030 373 S CA 1.131 59.294 58.200 -0.062 0.000 1.003 373 S CB -0.557 62.685 63.200 0.069 0.000 0.813 373 S HN 0.966 nan 8.310 nan 0.000 0.477 374 W N 0.711 122.015 121.300 0.006 0.000 3.003 374 W HA 0.479 5.139 4.660 0.001 0.000 0.257 374 W C 0.463 176.998 176.519 0.028 0.000 1.308 374 W CA -0.673 56.676 57.345 0.006 0.000 1.529 374 W CB -0.400 29.046 29.460 -0.025 0.000 1.115 374 W HN 0.212 nan 8.180 nan 0.000 0.659 375 L N 3.633 124.496 121.223 -0.600 0.000 2.277 375 L HA 0.387 4.727 4.340 0.001 0.000 0.284 375 L C -0.495 176.278 176.870 -0.162 0.000 1.028 375 L CA -0.259 54.259 54.840 -0.536 0.000 0.835 375 L CB 0.646 41.971 42.059 -1.224 0.000 1.215 375 L HN -0.339 nan 8.230 nan 0.000 0.425 376 K N 3.861 124.299 120.400 0.063 0.000 2.208 376 K HA 0.463 4.783 4.320 0.001 0.000 0.247 376 K C -0.873 175.826 176.600 0.165 0.000 0.953 376 K CA -0.743 55.646 56.287 0.170 0.000 0.837 376 K CB 2.454 35.160 32.500 0.345 0.000 1.131 376 K HN 0.274 nan 8.250 nan 0.000 0.431 377 V N 2.266 122.302 119.914 0.204 0.000 2.339 377 V HA 0.181 4.302 4.120 0.001 0.000 0.261 377 V C -0.180 175.857 176.094 -0.095 0.000 1.058 377 V CA -0.653 61.773 62.300 0.209 0.000 0.897 377 V CB 0.727 32.734 31.823 0.307 0.000 1.052 377 V HN 0.399 nan 8.190 nan 0.000 0.480 378 V N 7.427 127.175 119.914 -0.276 0.000 2.384 378 V HA 0.235 4.355 4.120 0.001 0.000 0.257 378 V C -1.816 173.867 176.094 -0.684 0.000 0.969 378 V CA -0.917 60.936 62.300 -0.745 0.000 0.910 378 V CB 1.166 32.242 31.823 -1.246 0.000 1.150 378 V HN 0.632 nan 8.190 nan 0.000 0.481 379 P HA -0.092 nan 4.420 nan 0.000 0.219 379 P C 1.747 178.802 177.300 -0.409 0.000 1.150 379 P CA 1.131 63.768 63.100 -0.771 0.000 0.814 379 P CB 0.082 31.316 31.700 -0.776 0.000 0.787 380 W N -0.412 120.756 121.300 -0.219 0.000 2.421 380 W HA 0.042 4.703 4.660 0.000 0.000 0.270 380 W C 1.515 177.892 176.519 -0.236 0.000 1.233 380 W CA 0.781 58.008 57.345 -0.197 0.000 1.226 380 W CB -2.235 27.137 29.460 -0.147 0.000 1.121 380 W HN -0.088 nan 8.180 nan 0.000 0.579 381 G N 0.714 109.157 108.800 -0.595 0.000 2.443 381 G HA2 -0.293 3.668 3.960 0.001 0.000 0.219 381 G HA3 -0.293 3.668 3.960 0.001 0.000 0.219 381 G C 1.295 176.071 174.900 -0.207 0.000 1.131 381 G CA 0.677 45.508 45.100 -0.447 0.000 0.775 381 G HN 0.212 nan 8.290 nan 0.000 0.547 382 F N 1.564 121.201 119.950 -0.521 0.000 2.146 382 F HA 0.082 4.610 4.527 0.001 0.000 0.298 382 F C 2.524 178.004 175.800 -0.533 0.000 1.096 382 F CA 1.082 58.493 58.000 -0.982 0.000 1.275 382 F CB -0.451 38.117 39.000 -0.720 0.000 1.008 382 F HN 0.135 nan 8.300 nan 0.000 0.480 383 R N 0.632 120.944 120.500 -0.314 0.000 2.081 383 R HA -0.160 4.180 4.340 0.001 0.000 0.235 383 R C 2.267 178.385 176.300 -0.303 0.000 1.131 383 R CA 1.674 57.576 56.100 -0.330 0.000 0.960 383 R CB -0.161 30.005 30.300 -0.224 0.000 0.856 383 R HN 0.245 nan 8.270 nan 0.000 0.436 384 K N -0.010 120.142 120.400 -0.414 0.000 2.057 384 K HA -0.206 4.114 4.320 0.001 0.000 0.207 384 K C 2.047 178.405 176.600 -0.403 0.000 1.049 384 K CA 1.678 57.567 56.287 -0.664 0.000 0.931 384 K CB -0.122 31.444 32.500 -1.555 0.000 0.714 384 K HN 0.120 nan 8.250 nan 0.000 0.440 385 E N 1.440 121.548 120.200 -0.154 0.000 2.077 385 E HA -0.127 4.223 4.350 0.001 0.000 0.193 385 E C 1.850 178.594 176.600 0.240 0.000 0.989 385 E CA 1.052 57.650 56.400 0.331 0.000 0.800 385 E CB -0.192 29.786 29.700 0.462 0.000 0.746 385 E HN 0.185 nan 8.360 nan 0.000 0.452 386 L N 0.647 121.870 121.223 0.000 0.000 2.079 386 L HA -0.198 4.142 4.340 0.001 0.000 0.210 386 L C 2.282 179.173 176.870 0.035 0.000 1.081 386 L CA 1.232 56.057 54.840 -0.025 0.000 0.752 386 L CB -0.528 41.386 42.059 -0.241 0.000 0.896 386 L HN 0.242 nan 8.230 nan 0.000 0.433 387 N N -0.843 117.862 118.700 0.008 0.000 2.142 387 N HA -0.232 4.508 4.740 0.001 0.000 0.186 387 N C 1.671 177.252 175.510 0.117 0.000 1.023 387 N CA 1.530 54.597 53.050 0.028 0.000 0.852 387 N CB -0.230 38.247 38.487 -0.018 0.000 0.998 387 N HN 0.416 nan 8.380 nan 0.000 0.424 388 W N 2.248 123.602 121.300 0.090 0.000 2.338 388 W HA -0.031 4.629 4.660 0.001 0.000 0.304 388 W C 2.025 178.594 176.519 0.083 0.000 1.212 388 W CA 0.997 58.436 57.345 0.157 0.000 1.264 388 W CB -0.276 29.396 29.460 0.353 0.000 1.142 388 W HN -0.056 nan 8.180 nan 0.000 0.512 389 I N 0.542 121.367 120.570 0.425 0.000 2.179 389 I HA -0.335 3.835 4.170 0.001 0.000 0.242 389 I C 2.578 178.743 176.117 0.079 0.000 1.088 389 I CA 1.816 63.311 61.300 0.326 0.000 1.357 389 I CB -0.761 37.461 38.000 0.370 0.000 1.051 389 I HN -0.063 nan 8.210 nan 0.000 0.409 390 K N 1.088 121.515 120.400 0.044 0.000 2.032 390 K HA -0.232 4.089 4.320 0.001 0.000 0.209 390 K C 1.854 178.398 176.600 -0.093 0.000 1.048 390 K CA 1.879 58.162 56.287 -0.007 0.000 0.927 390 K CB -0.071 32.420 32.500 -0.013 0.000 0.712 390 K HN 0.301 nan 8.250 nan 0.000 0.441 391 N N 0.665 119.257 118.700 -0.181 0.000 2.300 391 N HA -0.137 4.604 4.740 0.001 0.000 0.179 391 N C 1.672 176.942 175.510 -0.401 0.000 1.016 391 N CA 1.071 53.970 53.050 -0.252 0.000 0.876 391 N CB -0.041 38.302 38.487 -0.241 0.000 0.979 391 N HN 0.333 nan 8.380 nan 0.000 0.432 392 E N 0.039 119.829 120.200 -0.683 0.000 2.112 392 E HA -0.058 4.293 4.350 0.001 0.000 0.190 392 E C 0.292 176.417 176.600 -0.792 0.000 0.979 392 E CA 1.115 56.924 56.400 -0.985 0.000 0.814 392 E CB -0.016 28.617 29.700 -1.779 0.000 0.762 392 E HN 0.356 nan 8.360 nan 0.000 0.460 393 Y N -0.182 120.031 120.300 -0.146 0.000 2.636 393 Y HA 0.337 4.887 4.550 0.001 0.000 0.260 393 Y C 0.251 176.134 175.900 -0.028 0.000 1.177 393 Y CA -0.219 57.840 58.100 -0.068 0.000 1.209 393 Y CB -0.160 38.258 38.460 -0.069 0.000 1.166 393 Y HN -0.050 nan 8.280 nan 0.000 0.531 394 N N 2.035 120.747 118.700 0.020 0.000 2.756 394 N HA -0.281 4.459 4.740 0.001 0.000 0.248 394 N C -0.542 175.007 175.510 0.064 0.000 1.062 394 N CA 1.010 54.080 53.050 0.032 0.000 0.696 394 N CB -1.552 36.964 38.487 0.049 0.000 0.946 394 N HN 0.446 nan 8.380 nan 0.000 0.548 395 N N -2.178 116.554 118.700 0.054 0.000 2.696 395 N HA -0.127 4.613 4.740 0.001 0.000 0.256 395 N C -2.419 173.150 175.510 0.098 0.000 1.031 395 N CA 0.967 54.053 53.050 0.061 0.000 0.730 395 N CB -0.139 38.369 38.487 0.035 0.000 0.894 395 N HN 0.534 nan 8.380 nan 0.000 0.544 396 P HA 0.236 nan 4.420 nan 0.000 0.272 396 P C -2.665 174.729 177.300 0.157 0.000 1.230 396 P CA -0.949 62.250 63.100 0.165 0.000 0.788 396 P CB 0.002 31.782 31.700 0.134 0.000 0.949 397 P HA 0.084 nan 4.420 nan 0.000 0.267 397 P C -0.554 176.896 177.300 0.250 0.000 1.209 397 P CA 0.314 63.537 63.100 0.205 0.000 0.763 397 P CB 0.254 32.097 31.700 0.237 0.000 0.816 398 V N 5.486 125.515 119.914 0.192 0.000 2.417 398 V HA 0.392 4.512 4.120 0.001 0.000 0.291 398 V C -0.414 175.824 176.094 0.240 0.000 1.024 398 V CA -0.495 61.937 62.300 0.220 0.000 0.861 398 V CB 1.128 33.039 31.823 0.146 0.000 0.985 398 V HN 0.416 nan 8.190 nan 0.000 0.436 399 F N 5.636 125.707 119.950 0.202 0.000 2.426 399 F HA 0.564 5.091 4.527 0.001 0.000 0.348 399 F C 0.094 176.001 175.800 0.178 0.000 1.124 399 F CA -0.938 57.136 58.000 0.122 0.000 1.008 399 F CB 1.069 40.110 39.000 0.067 0.000 1.139 399 F HN 0.282 nan 8.300 nan 0.000 0.452 400 I N 6.240 126.984 120.570 0.291 0.000 2.389 400 I HA 0.020 4.190 4.170 0.001 0.000 0.295 400 I C 1.358 177.672 176.117 0.329 0.000 1.117 400 I CA 0.248 61.748 61.300 0.333 0.000 1.317 400 I CB 0.135 38.377 38.000 0.404 0.000 1.431 400 I HN 0.692 nan 8.210 nan 0.000 0.521 401 T N 2.285 117.037 114.554 0.330 0.000 3.067 401 T HA 0.199 4.550 4.350 0.001 0.000 0.257 401 T C 0.564 175.360 174.700 0.159 0.000 1.105 401 T CA 0.199 62.459 62.100 0.266 0.000 1.104 401 T CB 0.300 69.278 68.868 0.183 0.000 0.925 401 T HN 0.577 nan 8.240 nan 0.000 0.498 402 E N 0.543 120.781 120.200 0.062 0.000 2.335 402 E HA 0.597 4.948 4.350 0.001 0.000 0.280 402 E C -1.623 174.851 176.600 -0.210 0.000 0.918 402 E CA -0.886 55.515 56.400 0.002 0.000 0.765 402 E CB 1.848 31.472 29.700 -0.126 0.000 1.218 402 E HN 0.190 nan 8.360 nan 0.000 0.425 403 N N 0.928 119.518 118.700 -0.183 0.000 2.666 403 N HA 0.573 5.313 4.740 0.001 0.000 0.260 403 N C -1.410 174.166 175.510 0.110 0.000 1.077 403 N CA -0.143 52.752 53.050 -0.260 0.000 1.026 403 N CB 1.949 40.425 38.487 -0.019 0.000 1.653 403 N HN 0.665 nan 8.380 nan 0.000 0.533 404 G N 0.836 109.621 108.800 -0.025 0.000 2.430 404 G HA2 0.500 4.460 3.960 0.001 0.000 0.300 404 G HA3 0.500 4.460 3.960 0.001 0.000 0.300 404 G C -2.297 172.453 174.900 -0.249 0.000 1.330 404 G CA -0.673 44.446 45.100 0.032 0.000 0.813 404 G HN 0.467 nan 8.290 nan 0.000 0.487 405 F N 0.995 120.684 119.950 -0.435 0.000 2.601 405 F HA 0.723 5.250 4.527 0.000 0.000 0.309 405 F C 0.013 175.322 175.800 -0.818 0.000 1.089 405 F CA -0.538 56.996 58.000 -0.776 0.000 0.940 405 F CB 2.385 40.772 39.000 -1.022 0.000 1.273 405 F HN 0.786 nan 8.300 nan 0.000 0.450 406 S N 3.014 117.632 115.700 -1.803 0.000 2.509 406 S HA 0.821 5.291 4.470 0.001 0.000 0.297 406 S C -1.311 172.474 174.600 -1.359 0.000 1.118 406 S CA -0.544 56.624 58.200 -1.721 0.000 1.074 406 S CB 1.983 64.127 63.200 -1.760 0.000 1.038 406 S HN 0.667 nan 8.310 nan 0.000 0.498 407 D N -0.118 119.800 120.400 -0.804 0.000 2.732 407 D HA 0.325 4.966 4.640 0.001 0.000 0.292 407 D C -0.638 175.387 176.300 -0.459 0.000 1.135 407 D CA -0.850 52.823 54.000 -0.545 0.000 1.071 407 D CB -0.081 40.608 40.800 -0.184 0.000 1.457 407 D HN 0.388 nan 8.370 nan 0.000 0.547 408 Y N -0.545 119.691 120.300 -0.107 0.000 2.457 408 Y HA 0.549 5.100 4.550 0.001 0.000 0.263 408 Y C 1.189 177.087 175.900 -0.005 0.000 1.164 408 Y CA 0.741 58.810 58.100 -0.052 0.000 1.274 408 Y CB 0.656 39.094 38.460 -0.036 0.000 1.097 408 Y HN 0.793 nan 8.280 nan 0.000 0.523 409 G N -1.783 107.081 108.800 0.107 0.000 2.361 409 G HA2 0.451 4.412 3.960 0.001 0.000 0.305 409 G HA3 0.451 4.412 3.960 0.001 0.000 0.305 409 G C -0.595 174.348 174.900 0.073 0.000 1.367 409 G CA -0.106 45.052 45.100 0.097 0.000 0.951 409 G HN 0.651 nan 8.290 nan 0.000 0.615 410 G N -1.778 107.058 108.800 0.060 0.000 2.770 410 G HA2 0.258 4.218 3.960 0.001 0.000 0.686 410 G HA3 0.258 4.218 3.960 0.001 0.000 0.686 410 G C 0.477 175.399 174.900 0.036 0.000 1.180 410 G CA 0.055 45.184 45.100 0.048 0.000 0.767 410 G HN 1.403 nan 8.290 nan 0.000 0.646 411 L N 0.337 121.574 121.223 0.024 0.000 2.354 411 L HA 0.182 4.522 4.340 0.001 0.000 0.212 411 L C 1.575 178.455 176.870 0.017 0.000 1.091 411 L CA 0.451 55.296 54.840 0.009 0.000 0.828 411 L CB -0.029 42.028 42.059 -0.004 0.000 0.973 411 L HN 0.482 nan 8.230 nan 0.000 0.461 412 N N 1.652 120.369 118.700 0.029 0.000 3.188 412 N HA -0.009 4.731 4.740 0.001 0.000 0.279 412 N C -0.505 175.037 175.510 0.053 0.000 1.213 412 N CA -0.302 52.770 53.050 0.037 0.000 1.138 412 N CB -0.064 38.444 38.487 0.036 0.000 1.417 412 N HN 0.136 nan 8.380 nan 0.000 0.526 413 D N 0.464 120.899 120.400 0.059 0.000 2.713 413 D HA 0.054 4.694 4.640 0.001 0.000 0.229 413 D C 0.533 176.884 176.300 0.084 0.000 1.136 413 D CA -0.288 53.761 54.000 0.082 0.000 1.010 413 D CB -0.037 40.819 40.800 0.093 0.000 1.084 413 D HN 0.139 nan 8.370 nan 0.000 0.495 414 T N 0.242 114.841 114.554 0.075 0.000 2.759 414 T HA -0.103 4.247 4.350 0.001 0.000 0.269 414 T C 2.025 176.748 174.700 0.038 0.000 1.042 414 T CA 1.564 63.707 62.100 0.072 0.000 1.140 414 T CB -0.258 68.649 68.868 0.064 0.000 0.864 414 T HN 0.570 nan 8.240 nan 0.000 0.455 415 G N 1.093 109.897 108.800 0.006 0.000 2.418 415 G HA2 -0.229 3.731 3.960 0.001 0.000 0.217 415 G HA3 -0.229 3.731 3.960 0.001 0.000 0.217 415 G C 1.575 176.175 174.900 -0.500 0.000 1.158 415 G CA 0.711 45.701 45.100 -0.182 0.000 0.771 415 G HN 0.428 nan 8.290 nan 0.000 0.545 416 R N -0.161 120.215 120.500 -0.208 0.000 2.075 416 R HA -0.012 4.329 4.340 0.001 0.000 0.232 416 R C 2.637 178.940 176.300 0.005 0.000 1.126 416 R CA 1.296 57.323 56.100 -0.122 0.000 0.963 416 R CB -0.384 30.021 30.300 0.174 0.000 0.858 416 R HN 0.225 nan 8.270 nan 0.000 0.435 417 V N 0.408 120.366 119.914 0.072 0.000 2.255 417 V HA -0.298 3.822 4.120 0.001 0.000 0.247 417 V C 2.238 178.339 176.094 0.012 0.000 1.051 417 V CA 2.402 64.744 62.300 0.071 0.000 1.018 417 V CB -0.765 31.095 31.823 0.061 0.000 0.641 417 V HN 0.552 nan 8.190 nan 0.000 0.445 418 H N -1.248 117.783 119.070 -0.064 0.000 2.353 418 H HA -0.264 4.292 4.556 0.001 0.000 0.300 418 H C 2.140 177.435 175.328 -0.056 0.000 1.090 418 H CA 2.342 58.358 56.048 -0.053 0.000 1.327 418 H CB -0.332 29.404 29.762 -0.044 0.000 1.383 418 H HN 0.506 nan 8.280 nan 0.000 0.508 419 Y N -0.135 120.021 120.300 -0.240 0.000 2.145 419 Y HA -0.303 4.247 4.550 0.001 0.000 0.286 419 Y C 1.706 177.552 175.900 -0.090 0.000 1.145 419 Y CA 1.980 59.930 58.100 -0.250 0.000 1.148 419 Y CB -0.641 37.487 38.460 -0.554 0.000 0.981 419 Y HN 0.255 nan 8.280 nan 0.000 0.507 420 Y N 0.196 120.610 120.300 0.189 0.000 2.163 420 Y HA -0.225 4.325 4.550 0.001 0.000 0.288 420 Y C 2.970 178.854 175.900 -0.028 0.000 1.136 420 Y CA 2.012 60.197 58.100 0.142 0.000 1.147 420 Y CB -1.288 37.245 38.460 0.122 0.000 0.987 420 Y HN 0.304 nan 8.280 nan 0.000 0.509 421 T N -2.164 112.382 114.554 -0.014 0.000 2.746 421 T HA -0.164 4.186 4.350 0.001 0.000 0.267 421 T C 1.661 176.299 174.700 -0.104 0.000 1.039 421 T CA 1.535 63.549 62.100 -0.143 0.000 1.142 421 T CB -0.238 68.387 68.868 -0.405 0.000 0.866 421 T HN 0.191 nan 8.240 nan 0.000 0.444 422 E N 1.060 121.133 120.200 -0.211 0.000 2.047 422 E HA -0.103 4.247 4.350 0.001 0.000 0.191 422 E C 2.238 178.712 176.600 -0.209 0.000 0.987 422 E CA 1.419 57.662 56.400 -0.263 0.000 0.799 422 E CB -0.537 28.872 29.700 -0.485 0.000 0.752 422 E HN 0.723 nan 8.360 nan 0.000 0.449 423 H N 0.534 119.495 119.070 -0.182 0.000 2.389 423 H HA 0.018 4.574 4.556 0.001 0.000 0.299 423 H C 2.233 177.647 175.328 0.145 0.000 1.081 423 H CA 0.997 57.045 56.048 0.000 0.000 1.345 423 H CB -0.195 29.492 29.762 -0.126 0.000 1.393 423 H HN 0.026 nan 8.280 nan 0.000 0.520 424 L N 0.228 121.539 121.223 0.146 0.000 2.046 424 L HA -0.181 4.159 4.340 0.001 0.000 0.208 424 L C 2.179 179.010 176.870 -0.066 0.000 1.077 424 L CA 1.325 56.178 54.840 0.022 0.000 0.747 424 L CB -0.274 41.796 42.059 0.018 0.000 0.896 424 L HN 0.212 nan 8.230 nan 0.000 0.432 425 K N -0.319 120.057 120.400 -0.040 0.000 2.063 425 K HA -0.175 4.145 4.320 0.001 0.000 0.208 425 K C 2.117 178.645 176.600 -0.119 0.000 1.048 425 K CA 1.229 57.486 56.287 -0.052 0.000 0.928 425 K CB -0.043 32.474 32.500 0.028 0.000 0.713 425 K HN 0.225 nan 8.250 nan 0.000 0.442 426 E N 0.561 120.695 120.200 -0.109 0.000 2.072 426 E HA -0.184 4.166 4.350 0.001 0.000 0.191 426 E C 1.937 178.376 176.600 -0.268 0.000 0.985 426 E CA 0.955 57.260 56.400 -0.158 0.000 0.801 426 E CB -0.142 29.480 29.700 -0.131 0.000 0.750 426 E HN 0.355 nan 8.360 nan 0.000 0.452 427 M N 0.458 119.884 119.600 -0.290 0.000 2.117 427 M HA -0.158 4.323 4.480 0.001 0.000 0.262 427 M C 2.146 178.230 176.300 -0.360 0.000 1.065 427 M CA 1.274 56.317 55.300 -0.428 0.000 1.114 427 M CB -0.034 32.404 32.600 -0.269 0.000 1.361 427 M HN 0.055 nan 8.290 nan 0.000 0.408 428 L N -0.010 121.003 121.223 -0.351 0.000 2.141 428 L HA -0.221 4.120 4.340 0.001 0.000 0.209 428 L C 2.397 179.106 176.870 -0.269 0.000 1.094 428 L CA 1.241 55.848 54.840 -0.389 0.000 0.763 428 L CB -0.539 41.271 42.059 -0.414 0.000 0.908 428 L HN 0.300 nan 8.230 nan 0.000 0.437 429 K N 0.008 120.264 120.400 -0.240 0.000 2.057 429 K HA -0.136 4.184 4.320 0.001 0.000 0.207 429 K C 2.262 178.745 176.600 -0.195 0.000 1.049 429 K CA 1.300 57.469 56.287 -0.196 0.000 0.931 429 K CB -0.263 32.128 32.500 -0.182 0.000 0.714 429 K HN 0.270 nan 8.250 nan 0.000 0.440 430 A N 1.609 124.284 122.820 -0.243 0.000 1.908 430 A HA -0.183 4.138 4.320 0.001 0.000 0.218 430 A C 2.131 179.587 177.584 -0.214 0.000 1.181 430 A CA 1.432 53.330 52.037 -0.232 0.000 0.627 430 A CB -0.610 18.210 19.000 -0.300 0.000 0.818 430 A HN 0.174 nan 8.150 nan 0.000 0.445 431 I N -1.612 118.788 120.570 -0.284 0.000 2.133 431 I HA -0.209 3.961 4.170 0.001 0.000 0.238 431 I C 2.558 178.487 176.117 -0.313 0.000 1.074 431 I CA 1.376 62.475 61.300 -0.336 0.000 1.342 431 I CB -0.496 37.183 38.000 -0.535 0.000 1.053 431 I HN 0.380 nan 8.210 nan 0.000 0.404 432 H N 0.486 119.452 119.070 -0.172 0.000 2.372 432 H HA 0.011 4.568 4.556 0.001 0.000 0.301 432 H C 1.958 177.206 175.328 -0.132 0.000 1.065 432 H CA 1.185 57.140 56.048 -0.155 0.000 1.364 432 H CB 0.044 29.687 29.762 -0.199 0.000 1.406 432 H HN 0.437 nan 8.280 nan 0.000 0.521 433 E N 0.018 120.200 120.200 -0.029 0.000 2.190 433 E HA -0.052 4.298 4.350 0.001 0.000 0.191 433 E C 0.702 177.264 176.600 -0.064 0.000 0.978 433 E CA 0.560 56.926 56.400 -0.057 0.000 0.839 433 E CB 0.399 30.049 29.700 -0.084 0.000 0.787 433 E HN 0.379 nan 8.360 nan 0.000 0.473 434 D N -0.780 119.570 120.400 -0.082 0.000 2.407 434 D HA 0.094 4.735 4.640 0.001 0.000 0.208 434 D C 0.985 177.245 176.300 -0.066 0.000 1.083 434 D CA 0.604 54.559 54.000 -0.076 0.000 0.844 434 D CB 1.099 41.843 40.800 -0.093 0.000 0.967 434 D HN 0.225 nan 8.370 nan 0.000 0.506 435 G N 1.177 109.935 108.800 -0.070 0.000 2.160 435 G HA2 -0.275 3.685 3.960 0.001 0.000 0.251 435 G HA3 -0.275 3.685 3.960 0.001 0.000 0.251 435 G C 0.324 175.193 174.900 -0.052 0.000 1.008 435 G CA 0.209 45.276 45.100 -0.055 0.000 0.724 435 G HN 0.275 nan 8.290 nan 0.000 0.514 436 V N 0.594 120.464 119.914 -0.074 0.000 2.555 436 V HA 0.257 4.378 4.120 0.001 0.000 0.286 436 V C 1.038 177.111 176.094 -0.035 0.000 1.044 436 V CA -0.096 62.171 62.300 -0.054 0.000 1.026 436 V CB 1.523 33.297 31.823 -0.081 0.000 0.981 436 V HN 0.391 nan 8.190 nan 0.000 0.480 437 N N 4.699 123.403 118.700 0.007 0.000 3.178 437 N HA 0.087 4.827 4.740 0.001 0.000 0.300 437 N C -0.512 175.034 175.510 0.061 0.000 1.242 437 N CA -0.041 53.030 53.050 0.035 0.000 1.192 437 N CB -0.101 38.419 38.487 0.056 0.000 1.463 437 N HN 0.464 nan 8.380 nan 0.000 0.539 438 V N 3.546 123.499 119.914 0.065 0.000 2.488 438 V HA 0.134 4.254 4.120 0.001 0.000 0.277 438 V C 1.640 177.831 176.094 0.162 0.000 1.046 438 V CA -0.285 62.090 62.300 0.126 0.000 0.986 438 V CB 0.776 32.701 31.823 0.171 0.000 0.989 438 V HN 0.468 nan 8.190 nan 0.000 0.475 439 I N 1.360 121.875 120.570 -0.092 0.000 4.139 439 I HA 0.733 4.903 4.170 0.001 0.000 0.335 439 I C 0.729 176.198 176.117 -1.079 0.000 1.327 439 I CA 0.186 61.290 61.300 -0.326 0.000 1.112 439 I CB 0.689 38.607 38.000 -0.137 0.000 1.058 439 I HN 0.641 nan 8.210 nan 0.000 0.396 440 G N 0.331 108.226 108.800 -1.508 0.000 2.523 440 G HA2 0.487 4.447 3.960 0.001 0.000 0.291 440 G HA3 0.487 4.447 3.960 0.001 0.000 0.291 440 G C -2.531 171.546 174.900 -1.371 0.000 1.450 440 G CA -0.521 43.312 45.100 -2.111 0.000 0.790 440 G HN 0.092 nan 8.290 nan 0.000 0.496 441 Y N 0.682 120.443 120.300 -0.899 0.000 2.348 441 Y HA 0.577 5.127 4.550 0.000 0.000 0.321 441 Y C -0.464 175.505 175.900 0.116 0.000 1.163 441 Y CA -0.530 57.511 58.100 -0.098 0.000 1.070 441 Y CB 1.964 40.611 38.460 0.312 0.000 1.250 441 Y HN 0.826 nan 8.280 nan 0.000 0.425 442 T N 3.126 117.713 114.554 0.056 0.000 2.772 442 T HA 0.816 5.167 4.350 0.001 0.000 0.288 442 T C 0.082 174.738 174.700 -0.073 0.000 0.994 442 T CA -0.507 61.679 62.100 0.143 0.000 0.951 442 T CB 1.179 70.225 68.868 0.296 0.000 0.933 442 T HN 0.972 nan 8.240 nan 0.000 0.447 443 A N 4.312 127.175 122.820 0.072 0.000 2.540 443 A HA 0.324 4.644 4.320 0.001 0.000 0.239 443 A C -0.050 177.707 177.584 0.289 0.000 1.061 443 A CA -0.636 51.514 52.037 0.189 0.000 0.758 443 A CB 0.073 19.126 19.000 0.089 0.000 0.991 443 A HN 0.938 nan 8.150 nan 0.000 0.502 444 W N 3.826 125.262 121.300 0.227 0.000 2.349 444 W HA 0.494 5.155 4.660 0.000 0.000 0.309 444 W C -0.336 176.409 176.519 0.376 0.000 1.083 444 W CA -0.093 57.398 57.345 0.244 0.000 1.224 444 W CB 1.718 31.295 29.460 0.195 0.000 1.256 444 W HN 0.913 nan 8.180 nan 0.000 0.461 445 S N 4.045 119.612 115.700 -0.222 0.000 2.709 445 S HA 0.346 4.816 4.470 0.001 0.000 0.302 445 S C 0.199 174.685 174.600 -0.190 0.000 1.127 445 S CA -0.855 56.936 58.200 -0.682 0.000 0.905 445 S CB 1.979 64.278 63.200 -1.503 0.000 1.151 445 S HN 0.485 nan 8.310 nan 0.000 0.510 446 L N 0.217 121.346 121.223 -0.156 0.000 2.046 446 L HA 0.291 4.632 4.340 0.001 0.000 0.208 446 L C 0.421 177.325 176.870 0.058 0.000 1.077 446 L CA 1.865 56.704 54.840 -0.001 0.000 0.747 446 L CB -0.627 41.417 42.059 -0.024 0.000 0.896 446 L HN 0.763 nan 8.230 nan 0.000 0.432 447 M N -1.175 118.418 119.600 -0.011 0.000 2.593 447 M HA 0.290 4.771 4.480 0.001 0.000 0.290 447 M C -0.806 175.539 176.300 0.075 0.000 1.244 447 M CA -1.028 54.307 55.300 0.059 0.000 0.857 447 M CB 1.630 34.248 32.600 0.029 0.000 1.738 447 M HN -0.255 nan 8.290 nan 0.000 0.461 448 D N 2.035 122.528 120.400 0.155 0.000 2.449 448 D HA 0.152 4.792 4.640 0.001 0.000 0.236 448 D C -0.734 175.792 176.300 0.377 0.000 1.149 448 D CA 0.711 54.874 54.000 0.272 0.000 0.878 448 D CB 0.449 41.467 40.800 0.364 0.000 1.198 448 D HN 0.408 nan 8.370 nan 0.000 0.446 449 N N 0.170 119.055 118.700 0.309 0.000 2.380 449 N HA 0.240 4.980 4.740 0.001 0.000 0.290 449 N C -0.843 174.659 175.510 -0.014 0.000 1.236 449 N CA -0.650 52.492 53.050 0.153 0.000 0.780 449 N CB 0.984 39.441 38.487 -0.049 0.000 1.438 449 N HN 0.252 nan 8.380 nan 0.000 0.491 450 F N 1.624 121.382 119.950 -0.319 0.000 2.494 450 F HA 0.079 4.607 4.527 0.001 0.000 0.369 450 F C 0.759 176.134 175.800 -0.709 0.000 1.098 450 F CA 0.076 57.587 58.000 -0.815 0.000 1.154 450 F CB 0.429 39.004 39.000 -0.708 0.000 1.103 450 F HN 0.227 nan 8.300 nan 0.000 0.549 451 E N 7.561 127.117 120.200 -1.073 0.000 2.364 451 E HA 0.035 4.385 4.350 0.001 0.000 0.270 451 E C -0.126 176.072 176.600 -0.670 0.000 1.398 451 E CA 0.061 56.038 56.400 -0.705 0.000 1.721 451 E CB -0.381 29.185 29.700 -0.222 0.000 1.525 451 E HN 0.887 nan 8.360 nan 0.000 0.446 452 W N -0.794 119.963 121.300 -0.905 0.000 1.922 452 W HA -0.437 4.223 4.660 0.001 0.000 0.275 452 W C 1.494 177.822 176.519 -0.317 0.000 1.129 452 W CA 0.166 57.184 57.345 -0.545 0.000 1.077 452 W CB -1.370 27.969 29.460 -0.201 0.000 0.883 452 W HN 0.240 nan 8.180 nan 0.000 0.546 453 L N 0.988 122.422 121.223 0.352 0.000 2.450 453 L HA -0.104 4.236 4.340 0.001 0.000 0.224 453 L C 2.215 179.142 176.870 0.094 0.000 1.149 453 L CA 0.992 55.996 54.840 0.273 0.000 0.816 453 L CB -0.816 41.408 42.059 0.275 0.000 0.932 453 L HN 0.221 nan 8.230 nan 0.000 0.449 454 R N 0.502 120.995 120.500 -0.011 0.000 2.310 454 R HA 0.223 4.563 4.340 0.001 0.000 0.202 454 R C 1.255 177.445 176.300 -0.183 0.000 0.933 454 R CA 0.596 56.679 56.100 -0.028 0.000 1.054 454 R CB -0.657 29.672 30.300 0.049 0.000 0.985 454 R HN 0.341 nan 8.270 nan 0.000 0.489 455 G N 1.309 109.829 108.800 -0.467 0.000 2.596 455 G HA2 -0.370 3.591 3.960 0.001 0.000 0.295 455 G HA3 -0.370 3.591 3.960 0.001 0.000 0.295 455 G C 0.168 174.618 174.900 -0.750 0.000 1.240 455 G CA 0.481 45.208 45.100 -0.623 0.000 0.985 455 G HN 0.427 nan 8.290 nan 0.000 0.555 456 Y N 1.709 121.911 120.300 -0.163 0.000 2.532 456 Y HA 0.368 4.918 4.550 0.000 0.000 0.283 456 Y C 2.659 178.532 175.900 -0.046 0.000 1.181 456 Y CA 0.826 58.801 58.100 -0.209 0.000 1.256 456 Y CB 0.392 38.623 38.460 -0.382 0.000 1.112 456 Y HN 0.577 nan 8.280 nan 0.000 0.521 457 S N -0.943 114.796 115.700 0.066 0.000 2.436 457 S HA 0.014 4.485 4.470 0.001 0.000 0.228 457 S C 0.412 175.112 174.600 0.168 0.000 1.014 457 S CA 0.162 58.448 58.200 0.144 0.000 0.950 457 S CB -0.027 63.256 63.200 0.137 0.000 0.784 457 S HN 0.383 nan 8.310 nan 0.000 0.504 458 E N 1.139 121.385 120.200 0.076 0.000 2.183 458 E HA 0.453 4.803 4.350 0.001 0.000 0.271 458 E C -1.049 175.575 176.600 0.041 0.000 0.919 458 E CA -0.872 55.519 56.400 -0.016 0.000 0.781 458 E CB 1.106 30.814 29.700 0.014 0.000 1.140 458 E HN 0.063 nan 8.360 nan 0.000 0.402 459 K N 2.696 123.038 120.400 -0.097 0.000 2.339 459 K HA 0.294 4.615 4.320 0.001 0.000 0.264 459 K C -0.510 176.002 176.600 -0.148 0.000 0.986 459 K CA -0.352 55.936 56.287 0.002 0.000 0.866 459 K CB 0.733 33.241 32.500 0.013 0.000 1.103 459 K HN 0.544 nan 8.250 nan 0.000 0.441 460 F N -0.000 119.970 119.950 0.034 0.000 2.682 460 F HA 0.184 4.712 4.527 0.001 0.000 0.308 460 F C 1.463 177.299 175.800 0.060 0.000 1.093 460 F CA -0.484 57.556 58.000 0.066 0.000 1.244 460 F CB 0.951 40.066 39.000 0.192 0.000 1.052 460 F HN 0.588 nan 8.300 nan 0.000 0.573 461 G N 0.945 109.858 108.800 0.189 0.000 2.539 461 G HA2 0.329 4.289 3.960 0.001 0.000 0.258 461 G HA3 0.329 4.289 3.960 0.001 0.000 0.258 461 G C 1.057 176.049 174.900 0.154 0.000 1.202 461 G CA -0.392 44.792 45.100 0.139 0.000 0.851 461 G HN 0.378 nan 8.290 nan 0.000 0.556 462 I N -2.267 118.397 120.570 0.157 0.000 3.427 462 I HA 0.337 4.508 4.170 0.001 0.000 0.288 462 I C -0.244 175.831 176.117 -0.069 0.000 1.249 462 I CA -0.164 61.191 61.300 0.093 0.000 1.421 462 I CB 0.082 38.133 38.000 0.085 0.000 1.086 462 I HN 0.222 nan 8.210 nan 0.000 0.448 463 Y N 2.294 122.599 120.300 0.009 0.000 2.341 463 Y HA 0.702 5.252 4.550 0.001 0.000 0.337 463 Y C 0.552 176.446 175.900 -0.011 0.000 1.014 463 Y CA -0.960 57.132 58.100 -0.013 0.000 1.111 463 Y CB 1.547 39.981 38.460 -0.042 0.000 1.194 463 Y HN 0.050 nan 8.280 nan 0.000 0.462 464 A N 2.932 125.791 122.820 0.064 0.000 2.340 464 A HA 0.670 4.990 4.320 0.001 0.000 0.268 464 A C -0.865 176.703 177.584 -0.028 0.000 1.100 464 A CA -0.422 51.633 52.037 0.030 0.000 0.803 464 A CB 0.404 19.408 19.000 0.007 0.000 1.043 464 A HN 0.535 nan 8.150 nan 0.000 0.488 465 V N 2.264 122.090 119.914 -0.147 0.000 2.588 465 V HA 0.251 4.372 4.120 0.001 0.000 0.304 465 V C -0.755 175.010 176.094 -0.548 0.000 1.042 465 V CA -0.679 61.383 62.300 -0.396 0.000 0.877 465 V CB 1.931 33.367 31.823 -0.645 0.000 0.996 465 V HN 0.954 nan 8.190 nan 0.000 0.425 466 D N 3.387 123.553 120.400 -0.390 0.000 2.422 466 D HA 0.240 4.881 4.640 0.001 0.000 0.227 466 D C 0.497 176.603 176.300 -0.324 0.000 1.190 466 D CA -0.212 53.632 54.000 -0.259 0.000 0.905 466 D CB 0.548 41.271 40.800 -0.128 0.000 1.034 466 D HN 0.369 nan 8.370 nan 0.000 0.507 467 F N 1.428 121.328 119.950 -0.085 0.000 2.771 467 F HA 0.040 4.567 4.527 0.000 0.000 0.299 467 F C 1.993 177.712 175.800 -0.135 0.000 1.177 467 F CA 0.335 58.232 58.000 -0.173 0.000 1.450 467 F CB 0.230 39.020 39.000 -0.350 0.000 1.114 467 F HN 0.356 nan 8.300 nan 0.000 0.587 468 E N -0.635 119.584 120.200 0.033 0.000 2.481 468 E HA -0.007 4.343 4.350 0.001 0.000 0.198 468 E C 0.002 176.597 176.600 -0.009 0.000 1.027 468 E CA 0.249 56.659 56.400 0.017 0.000 0.900 468 E CB 0.066 29.779 29.700 0.022 0.000 0.993 468 E HN 0.202 nan 8.360 nan 0.000 0.482 469 D N 0.869 121.248 120.400 -0.035 0.000 2.349 469 D HA 0.152 4.792 4.640 0.001 0.000 0.232 469 D C -1.985 174.289 176.300 -0.044 0.000 1.071 469 D CA -2.402 51.573 54.000 -0.042 0.000 0.832 469 D CB 1.988 42.752 40.800 -0.059 0.000 1.086 469 D HN -0.256 nan 8.370 nan 0.000 0.504 470 P HA -0.059 nan 4.420 nan 0.000 0.221 470 P C 0.735 178.015 177.300 -0.035 0.000 1.145 470 P CA 0.827 63.912 63.100 -0.025 0.000 0.795 470 P CB 0.285 31.971 31.700 -0.023 0.000 0.775 471 A N -0.889 121.903 122.820 -0.046 0.000 2.208 471 A HA -0.009 4.311 4.320 0.001 0.000 0.209 471 A C 0.574 178.119 177.584 -0.065 0.000 1.161 471 A CA 0.046 52.052 52.037 -0.052 0.000 0.782 471 A CB -0.608 18.361 19.000 -0.052 0.000 0.816 471 A HN -0.061 nan 8.150 nan 0.000 0.477 472 R N -1.269 119.180 120.500 -0.086 0.000 3.158 472 R HA -0.128 4.212 4.340 0.001 0.000 0.244 472 R C -2.636 173.582 176.300 -0.136 0.000 0.900 472 R CA 0.802 56.817 56.100 -0.142 0.000 0.618 472 R CB -2.469 27.764 30.300 -0.113 0.000 1.061 472 R HN 0.461 nan 8.270 nan 0.000 0.471 473 P HA 0.121 nan 4.420 nan 0.000 0.271 473 P C -0.248 176.997 177.300 -0.092 0.000 1.216 473 P CA -0.060 62.986 63.100 -0.091 0.000 0.776 473 P CB 0.623 32.283 31.700 -0.067 0.000 0.881 474 R N 2.648 123.113 120.500 -0.059 0.000 2.294 474 R HA 0.542 4.882 4.340 0.001 0.000 0.319 474 R C -0.069 176.302 176.300 0.118 0.000 0.984 474 R CA -0.361 55.742 56.100 0.004 0.000 0.861 474 R CB 0.543 30.805 30.300 -0.063 0.000 1.104 474 R HN 0.412 nan 8.270 nan 0.000 0.451 475 I N 4.730 125.394 120.570 0.157 0.000 2.498 475 I HA 0.359 4.530 4.170 0.001 0.000 0.290 475 I C -2.306 173.813 176.117 0.003 0.000 1.032 475 I CA -3.216 58.148 61.300 0.106 0.000 1.073 475 I CB 1.919 39.929 38.000 0.015 0.000 1.251 475 I HN 0.406 nan 8.210 nan 0.000 0.426 476 P HA 0.197 nan 4.420 nan 0.000 0.271 476 P C -0.492 176.615 177.300 -0.322 0.000 1.220 476 P CA -0.262 62.460 63.100 -0.630 0.000 0.768 476 P CB 0.899 32.321 31.700 -0.462 0.000 0.848 477 K N 1.693 121.900 120.400 -0.321 0.000 2.117 477 K HA 0.077 4.398 4.320 0.001 0.000 0.240 477 K C 1.410 177.942 176.600 -0.115 0.000 1.031 477 K CA -0.394 55.807 56.287 -0.143 0.000 0.909 477 K CB 0.333 32.788 32.500 -0.075 0.000 1.097 477 K HN 0.297 nan 8.250 nan 0.000 0.492 478 E N 1.068 121.245 120.200 -0.038 0.000 2.118 478 E HA -0.206 4.144 4.350 0.001 0.000 0.195 478 E C 1.622 178.222 176.600 0.001 0.000 0.992 478 E CA 2.210 58.607 56.400 -0.005 0.000 0.804 478 E CB -0.121 29.600 29.700 0.036 0.000 0.741 478 E HN 0.610 nan 8.360 nan 0.000 0.458 479 S N -0.043 115.668 115.700 0.018 0.000 2.382 479 S HA -0.140 4.330 4.470 0.001 0.000 0.228 479 S C 2.260 176.839 174.600 -0.036 0.000 1.027 479 S CA 1.097 59.326 58.200 0.048 0.000 0.991 479 S CB -0.661 62.647 63.200 0.179 0.000 0.823 479 S HN 0.393 nan 8.310 nan 0.000 0.469 480 A N 2.387 125.137 122.820 -0.117 0.000 1.933 480 A HA -0.072 4.248 4.320 0.001 0.000 0.218 480 A C 2.252 179.775 177.584 -0.101 0.000 1.175 480 A CA 1.566 53.498 52.037 -0.176 0.000 0.628 480 A CB -0.532 18.157 19.000 -0.518 0.000 0.814 480 A HN 0.629 nan 8.150 nan 0.000 0.444 481 K N -0.528 119.823 120.400 -0.083 0.000 2.062 481 K HA -0.015 4.306 4.320 0.001 0.000 0.205 481 K C 1.843 178.443 176.600 0.000 0.000 1.051 481 K CA 1.272 57.541 56.287 -0.030 0.000 0.941 481 K CB -0.325 32.165 32.500 -0.017 0.000 0.719 481 K HN 0.292 nan 8.250 nan 0.000 0.440 482 V N 2.026 121.943 119.914 0.005 0.000 2.358 482 V HA -0.216 3.904 4.120 0.001 0.000 0.246 482 V C 2.222 178.298 176.094 -0.031 0.000 1.047 482 V CA 1.544 63.852 62.300 0.012 0.000 1.035 482 V CB -0.418 31.390 31.823 -0.026 0.000 0.658 482 V HN 0.260 nan 8.190 nan 0.000 0.452 483 L N 0.026 121.208 121.223 -0.067 0.000 2.083 483 L HA -0.140 4.200 4.340 0.001 0.000 0.209 483 L C 2.706 179.546 176.870 -0.050 0.000 1.083 483 L CA 1.430 56.214 54.840 -0.093 0.000 0.752 483 L CB -0.729 41.237 42.059 -0.155 0.000 0.899 483 L HN 0.363 nan 8.230 nan 0.000 0.433 484 A N -0.232 122.574 122.820 -0.022 0.000 1.902 484 A HA -0.265 4.056 4.320 0.001 0.000 0.217 484 A C 2.268 179.851 177.584 -0.000 0.000 1.181 484 A CA 1.850 53.884 52.037 -0.004 0.000 0.623 484 A CB -0.499 18.508 19.000 0.013 0.000 0.818 484 A HN 0.479 nan 8.150 nan 0.000 0.443 485 E N -0.136 120.072 120.200 0.013 0.000 2.077 485 E HA -0.186 4.164 4.350 0.001 0.000 0.193 485 E C 1.877 178.495 176.600 0.031 0.000 0.989 485 E CA 1.366 57.786 56.400 0.032 0.000 0.800 485 E CB -0.235 29.504 29.700 0.065 0.000 0.746 485 E HN 0.672 nan 8.360 nan 0.000 0.452 486 I N 0.442 121.021 120.570 0.016 0.000 2.179 486 I HA -0.311 3.859 4.170 0.001 0.000 0.242 486 I C 2.610 178.689 176.117 -0.063 0.000 1.088 486 I CA 1.161 62.466 61.300 0.008 0.000 1.357 486 I CB -0.195 37.797 38.000 -0.014 0.000 1.051 486 I HN 0.253 nan 8.210 nan 0.000 0.409 487 M N -0.110 119.438 119.600 -0.088 0.000 2.229 487 M HA -0.181 4.300 4.480 0.001 0.000 0.264 487 M C 2.017 178.288 176.300 -0.048 0.000 1.063 487 M CA 1.603 56.840 55.300 -0.106 0.000 1.114 487 M CB -0.549 32.008 32.600 -0.073 0.000 1.387 487 M HN 0.238 nan 8.290 nan 0.000 0.420 488 N N 0.217 118.907 118.700 -0.016 0.000 2.171 488 N HA -0.120 4.620 4.740 0.001 0.000 0.184 488 N C 1.655 177.175 175.510 0.016 0.000 1.021 488 N CA 2.083 55.134 53.050 0.003 0.000 0.854 488 N CB -0.060 38.434 38.487 0.010 0.000 0.994 488 N HN 0.370 nan 8.380 nan 0.000 0.426 489 T N -2.736 111.835 114.554 0.028 0.000 3.067 489 T HA 0.162 4.512 4.350 0.001 0.000 0.257 489 T C 0.495 175.240 174.700 0.075 0.000 1.105 489 T CA -0.087 62.043 62.100 0.049 0.000 1.104 489 T CB -0.022 68.881 68.868 0.057 0.000 0.925 489 T HN 0.160 nan 8.240 nan 0.000 0.498 490 R N 0.862 121.406 120.500 0.074 0.000 3.651 490 R HA -0.100 4.241 4.340 0.001 0.000 0.292 490 R C -0.684 175.828 176.300 0.353 0.000 1.161 490 R CA 0.814 57.003 56.100 0.147 0.000 0.787 490 R CB -2.507 27.872 30.300 0.132 0.000 1.249 490 R HN 0.604 nan 8.270 nan 0.000 0.476 491 K N -0.118 120.461 120.400 0.299 0.000 2.533 491 K HA 0.493 4.813 4.320 0.001 0.000 0.272 491 K C -0.150 176.595 176.600 0.243 0.000 0.985 491 K CA -1.091 55.349 56.287 0.255 0.000 0.876 491 K CB 1.554 34.133 32.500 0.133 0.000 1.452 491 K HN -0.192 nan 8.250 nan 0.000 0.439 492 I N 3.038 123.713 120.570 0.175 0.000 2.396 492 I HA 0.175 4.345 4.170 0.001 0.000 0.289 492 I C -2.149 174.016 176.117 0.080 0.000 1.056 492 I CA -2.513 58.870 61.300 0.139 0.000 1.365 492 I CB -0.061 38.007 38.000 0.114 0.000 1.407 492 I HN 0.249 nan 8.210 nan 0.000 0.509 493 P HA 0.012 nan 4.420 nan 0.000 0.267 493 P C 0.979 178.271 177.300 -0.014 0.000 1.200 493 P CA -0.029 63.136 63.100 0.110 0.000 0.772 493 P CB 0.761 32.594 31.700 0.223 0.000 0.855 494 E N 3.763 123.900 120.200 -0.106 0.000 2.130 494 E HA -0.299 4.051 4.350 0.001 0.000 0.196 494 E C 1.601 178.073 176.600 -0.213 0.000 0.998 494 E CA 1.237 57.530 56.400 -0.179 0.000 0.806 494 E CB -0.023 29.595 29.700 -0.137 0.000 0.738 494 E HN 0.376 nan 8.360 nan 0.000 0.459 495 R N -0.540 119.784 120.500 -0.293 0.000 2.285 495 R HA -0.101 4.239 4.340 0.001 0.000 0.213 495 R C 1.168 177.154 176.300 -0.524 0.000 1.068 495 R CA 1.248 57.087 56.100 -0.434 0.000 1.004 495 R CB -0.365 29.601 30.300 -0.557 0.000 0.873 495 R HN 0.215 nan 8.270 nan 0.000 0.467 496 F N 0.882 120.787 119.950 -0.075 0.000 2.695 496 F HA 0.342 4.869 4.527 0.000 0.000 0.303 496 F C 0.738 176.481 175.800 -0.096 0.000 1.091 496 F CA -0.732 57.234 58.000 -0.056 0.000 1.300 496 F CB 0.355 39.336 39.000 -0.032 0.000 1.071 496 F HN -0.239 nan 8.300 nan 0.000 0.578 497 R N 0.887 121.340 120.500 -0.078 0.000 2.560 497 R HA 0.131 4.471 4.340 0.001 0.000 0.270 497 R C -0.083 176.195 176.300 -0.035 0.000 1.074 497 R CA -0.802 55.189 56.100 -0.180 0.000 1.140 497 R CB 0.452 30.426 30.300 -0.542 0.000 1.073 497 R HN -0.032 nan 8.270 nan 0.000 0.527 498 D N 0.000 120.432 120.400 0.053 0.000 6.856 498 D HA 0.000 4.640 4.640 0.001 0.000 0.175 498 D CA 0.000 54.039 54.000 0.065 0.000 0.868 498 D CB 0.000 40.858 40.800 0.096 0.000 0.688 498 D HN 0.000 nan 8.370 nan 0.000 0.683