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 3mj4_1_I DATA FIRST_RESID 26 DATA SEQUENCE ESKGFDYLIV GAGFAGSVLA ERLASSGQRV LIVDRRPHIG GNAYDCYDDA DATA SEQUENCE GVLIHPYGPH IFHTNSKDVF EYLSRFTEWR PYQHRVLASV DGQLLPIPIN DATA SEQUENCE LDTVNRLYGL NLTSFQVEEF FASVAEKVEQ VRTSEDVVVS KVGRDLYNKF DATA SEQUENCE FRGYTRKQWG LDPSELDASV TARVPTRTNR DNRYFADTYQ AMPLHGYTRM DATA SEQUENCE FQNMLSSPNI KVMLNTDYRE IADFIPFQHM IYTGPVDAFF DFCYGKLPYR DATA SEQUENCE SLEFRHETHD TEQLLPTGTV NYPNDYAYTR VSEFKHITGQ RHHQTSVVYE DATA SEQUENCE YPRAEGDPYY PVPRPENAEL YKKYEALADA AQDVTFVGRL ATYRYYNMDQ DATA SEQUENCE VVAQALATFR RLQG 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 26 E HA 0.000 nan 4.350 nan 0.000 0.291 26 E C 0.000 176.577 176.600 -0.038 0.000 1.382 26 E CA 0.000 56.386 56.400 -0.024 0.000 0.976 26 E CB 0.000 29.691 29.700 -0.015 0.000 0.812 27 S N 0.154 115.821 115.700 -0.054 0.000 2.579 27 S HA 0.280 4.750 4.470 0.000 0.000 0.275 27 S C 0.553 175.087 174.600 -0.110 0.000 1.345 27 S CA 0.212 58.361 58.200 -0.086 0.000 1.031 27 S CB 0.799 63.926 63.200 -0.120 0.000 0.892 27 S HN 0.154 nan 8.310 nan 0.000 0.529 28 K N 0.932 121.262 120.400 -0.116 0.000 2.402 28 K HA 0.415 4.735 4.320 0.000 0.000 0.204 28 K C 0.339 176.865 176.600 -0.122 0.000 1.056 28 K CA 0.558 56.789 56.287 -0.093 0.000 1.069 28 K CB 0.453 32.922 32.500 -0.052 0.000 0.888 28 K HN 0.775 nan 8.250 nan 0.000 0.546 29 G N -1.009 107.644 108.800 -0.244 0.000 2.350 29 G HA2 0.151 4.111 3.960 0.000 0.000 0.276 29 G HA3 0.151 4.111 3.960 0.000 0.000 0.276 29 G C -1.630 173.002 174.900 -0.447 0.000 1.313 29 G CA -1.046 43.868 45.100 -0.310 0.000 0.903 29 G HN -0.032 nan 8.290 nan 0.000 0.490 30 F N 0.001 120.025 119.950 0.123 0.000 2.579 30 F HA 0.525 5.052 4.527 0.000 0.000 0.324 30 F C 0.853 176.733 175.800 0.133 0.000 1.058 30 F CA -0.810 57.273 58.000 0.138 0.000 0.944 30 F CB 2.177 41.277 39.000 0.166 0.000 1.245 30 F HN 0.369 nan 8.300 nan 0.000 0.477 31 D N 0.137 120.740 120.400 0.339 0.000 2.183 31 D HA -0.051 4.589 4.640 0.000 0.000 0.205 31 D C -0.513 175.803 176.300 0.025 0.000 0.962 31 D CA 1.660 55.748 54.000 0.147 0.000 0.849 31 D CB 0.202 41.116 40.800 0.189 0.000 0.978 31 D HN 0.301 nan 8.370 nan 0.000 0.488 32 Y N -0.321 120.142 120.300 0.271 0.000 2.457 32 Y HA 0.373 4.923 4.550 0.000 0.000 0.343 32 Y C -0.692 175.207 175.900 -0.002 0.000 0.994 32 Y CA -1.178 57.030 58.100 0.180 0.000 1.031 32 Y CB 2.119 40.657 38.460 0.130 0.000 1.246 32 Y HN -0.266 nan 8.280 nan 0.000 0.449 33 L N 5.325 126.541 121.223 -0.012 0.000 2.294 33 L HA 0.628 4.968 4.340 0.000 0.000 0.283 33 L C -1.408 175.308 176.870 -0.258 0.000 1.015 33 L CA -0.453 54.169 54.840 -0.364 0.000 0.831 33 L CB 0.325 41.766 42.059 -1.030 0.000 1.217 33 L HN 0.516 nan 8.230 nan 0.000 0.420 34 I N 6.117 126.562 120.570 -0.209 0.000 2.330 34 I HA 0.307 4.477 4.170 0.000 0.000 0.289 34 I C -0.511 175.469 176.117 -0.228 0.000 1.001 34 I CA -0.943 60.249 61.300 -0.179 0.000 1.193 34 I CB 1.724 39.643 38.000 -0.135 0.000 1.345 34 I HN 0.265 nan 8.210 nan 0.000 0.461 35 V N 5.636 125.392 119.914 -0.265 0.000 2.368 35 V HA 0.691 4.811 4.120 0.000 0.000 0.266 35 V C 0.591 176.490 176.094 -0.324 0.000 1.045 35 V CA -0.329 61.794 62.300 -0.295 0.000 0.899 35 V CB 0.312 31.903 31.823 -0.387 0.000 1.006 35 V HN 1.076 nan 8.190 nan 0.000 0.470 36 G N 3.993 112.635 108.800 -0.263 0.000 3.363 36 G HA2 0.316 4.276 3.960 0.000 0.000 0.685 36 G HA3 0.316 4.276 3.960 0.000 0.000 0.685 36 G C -0.192 174.575 174.900 -0.222 0.000 1.199 36 G CA -0.305 44.638 45.100 -0.261 0.000 0.946 36 G HN 1.347 nan 8.290 nan 0.000 0.558 37 A N 1.562 124.236 122.820 -0.243 0.000 2.708 37 A HA 0.765 5.085 4.320 0.000 0.000 0.293 37 A C 1.455 178.833 177.584 -0.343 0.000 1.303 37 A CA 1.183 53.069 52.037 -0.252 0.000 0.949 37 A CB -0.195 18.649 19.000 -0.260 0.000 1.121 37 A HN 2.032 nan 8.150 nan 0.000 0.542 38 G N -1.243 107.397 108.800 -0.268 0.000 2.504 38 G HA2 0.388 4.348 3.960 0.000 0.000 0.257 38 G HA3 0.388 4.348 3.960 0.000 0.000 0.257 38 G C 0.586 175.469 174.900 -0.028 0.000 1.451 38 G CA -0.411 44.528 45.100 -0.268 0.000 1.059 38 G HN 0.173 nan 8.290 nan 0.000 0.550 39 F N 0.743 120.810 119.950 0.196 0.000 2.102 39 F HA -0.060 4.467 4.527 0.000 0.000 0.298 39 F C 3.079 178.963 175.800 0.140 0.000 1.105 39 F CA 1.741 59.909 58.000 0.279 0.000 1.239 39 F CB -0.216 38.925 39.000 0.235 0.000 0.991 39 F HN 0.343 nan 8.300 nan 0.000 0.474 40 A N 0.306 123.285 122.820 0.265 0.000 1.859 40 A HA -0.174 4.146 4.320 0.000 0.000 0.217 40 A C 2.517 180.142 177.584 0.068 0.000 1.198 40 A CA 2.158 54.284 52.037 0.148 0.000 0.629 40 A CB -1.660 17.396 19.000 0.094 0.000 0.830 40 A HN 0.417 nan 8.150 nan 0.000 0.446 41 G N -1.471 107.329 108.800 -0.000 0.000 2.394 41 G HA2 -0.056 3.904 3.960 0.000 0.000 0.215 41 G HA3 -0.056 3.904 3.960 0.000 0.000 0.215 41 G C 1.842 176.716 174.900 -0.043 0.000 1.165 41 G CA 1.258 46.324 45.100 -0.056 0.000 0.784 41 G HN 0.481 nan 8.290 nan 0.000 0.535 42 S N 0.005 115.702 115.700 -0.004 0.000 2.356 42 S HA -0.124 4.346 4.470 0.000 0.000 0.223 42 S C 2.585 177.177 174.600 -0.013 0.000 1.032 42 S CA 1.244 59.444 58.200 -0.000 0.000 1.005 42 S CB -0.319 62.953 63.200 0.120 0.000 0.867 42 S HN 0.190 nan 8.310 nan 0.000 0.449 43 V N 2.100 122.057 119.914 0.070 0.000 2.252 43 V HA -0.224 3.896 4.120 0.000 0.000 0.249 43 V C 2.248 178.318 176.094 -0.040 0.000 1.056 43 V CA 1.796 64.151 62.300 0.092 0.000 1.022 43 V CB -0.795 31.119 31.823 0.153 0.000 0.641 43 V HN 0.376 nan 8.190 nan 0.000 0.445 44 L N -0.014 121.175 121.223 -0.057 0.000 2.013 44 L HA -0.231 4.109 4.340 0.000 0.000 0.212 44 L C 2.711 179.472 176.870 -0.181 0.000 1.073 44 L CA 1.841 56.608 54.840 -0.122 0.000 0.753 44 L CB -0.753 41.261 42.059 -0.076 0.000 0.890 44 L HN 0.372 nan 8.230 nan 0.000 0.432 45 A N -0.806 121.933 122.820 -0.136 0.000 1.917 45 A HA -0.280 4.040 4.320 0.000 0.000 0.219 45 A C 2.331 179.837 177.584 -0.131 0.000 1.182 45 A CA 2.082 54.042 52.037 -0.128 0.000 0.633 45 A CB -0.545 18.392 19.000 -0.105 0.000 0.819 45 A HN 0.477 nan 8.150 nan 0.000 0.448 46 E N -0.244 119.875 120.200 -0.136 0.000 2.046 46 E HA -0.175 4.175 4.350 0.000 0.000 0.190 46 E C 2.248 178.760 176.600 -0.147 0.000 0.982 46 E CA 0.779 57.109 56.400 -0.116 0.000 0.800 46 E CB -0.246 29.375 29.700 -0.132 0.000 0.756 46 E HN 0.429 nan 8.360 nan 0.000 0.449 47 R N 0.313 120.626 120.500 -0.310 0.000 2.073 47 R HA -0.120 4.220 4.340 0.000 0.000 0.234 47 R C 2.479 178.362 176.300 -0.694 0.000 1.134 47 R CA 0.628 56.269 56.100 -0.766 0.000 0.952 47 R CB -0.990 28.393 30.300 -1.528 0.000 0.850 47 R HN 0.219 nan 8.270 nan 0.000 0.433 48 L N 0.650 121.619 121.223 -0.424 0.000 2.042 48 L HA -0.126 4.214 4.340 0.000 0.000 0.210 48 L C 2.457 179.332 176.870 0.009 0.000 1.076 48 L CA 2.030 56.815 54.840 -0.093 0.000 0.749 48 L CB -1.299 40.643 42.059 -0.195 0.000 0.893 48 L HN 0.171 nan 8.230 nan 0.000 0.432 49 A N -1.123 121.678 122.820 -0.031 0.000 1.929 49 A HA -0.147 4.173 4.320 0.000 0.000 0.216 49 A C 2.465 180.072 177.584 0.039 0.000 1.176 49 A CA 1.557 53.611 52.037 0.028 0.000 0.628 49 A CB -0.714 18.293 19.000 0.012 0.000 0.816 49 A HN 0.538 nan 8.150 nan 0.000 0.444 50 S N 0.437 116.143 115.700 0.009 0.000 2.423 50 S HA -0.120 4.350 4.470 0.000 0.000 0.231 50 S C 1.716 176.364 174.600 0.079 0.000 1.014 50 S CA 1.524 59.748 58.200 0.040 0.000 0.965 50 S CB -0.721 62.496 63.200 0.028 0.000 0.785 50 S HN 0.927 nan 8.310 nan 0.000 0.495 51 S N 0.058 115.825 115.700 0.113 0.000 2.660 51 S HA 0.499 4.969 4.470 0.000 0.000 0.227 51 S C 1.364 176.051 174.600 0.145 0.000 0.948 51 S CA 0.275 58.580 58.200 0.174 0.000 0.948 51 S CB -0.652 62.736 63.200 0.314 0.000 0.779 51 S HN 1.500 nan 8.310 nan 0.000 0.487 52 G N 0.627 109.496 108.800 0.116 0.000 2.159 52 G HA2 -0.222 3.738 3.960 0.000 0.000 0.256 52 G HA3 -0.222 3.738 3.960 0.000 0.000 0.256 52 G C -0.074 174.905 174.900 0.132 0.000 0.977 52 G CA 0.015 45.180 45.100 0.108 0.000 0.652 52 G HN 0.559 nan 8.290 nan 0.000 0.531 53 Q N -0.049 119.850 119.800 0.165 0.000 2.354 53 Q HA 0.383 4.723 4.340 0.000 0.000 0.244 53 Q C 0.632 176.761 176.000 0.215 0.000 0.969 53 Q CA -0.123 55.814 55.803 0.225 0.000 0.885 53 Q CB 0.733 29.665 28.738 0.323 0.000 1.241 53 Q HN 0.369 nan 8.270 nan 0.000 0.461 54 R N 1.059 121.713 120.500 0.255 0.000 2.229 54 R HA 0.453 4.793 4.340 0.000 0.000 0.328 54 R C -1.014 175.531 176.300 0.408 0.000 1.009 54 R CA -0.378 55.897 56.100 0.292 0.000 0.864 54 R CB 0.826 31.272 30.300 0.243 0.000 1.085 54 R HN 0.297 nan 8.270 nan 0.000 0.453 55 V N 5.499 125.613 119.914 0.334 0.000 2.588 55 V HA 0.332 4.452 4.120 0.000 0.000 0.304 55 V C -0.775 175.262 176.094 -0.095 0.000 1.042 55 V CA -0.952 61.443 62.300 0.159 0.000 0.877 55 V CB 1.945 33.812 31.823 0.074 0.000 0.996 55 V HN 0.512 nan 8.190 nan 0.000 0.425 56 L N 6.540 127.482 121.223 -0.470 0.000 2.318 56 L HA 0.664 5.004 4.340 0.000 0.000 0.277 56 L C -0.649 175.989 176.870 -0.386 0.000 1.008 56 L CA 0.075 54.482 54.840 -0.721 0.000 0.846 56 L CB 1.049 42.152 42.059 -1.592 0.000 1.220 56 L HN 0.691 nan 8.230 nan 0.000 0.423 57 I N 5.128 125.547 120.570 -0.251 0.000 2.428 57 I HA 0.647 4.817 4.170 0.000 0.000 0.296 57 I C -1.161 174.840 176.117 -0.193 0.000 0.985 57 I CA -0.497 60.683 61.300 -0.200 0.000 1.260 57 I CB 1.519 39.425 38.000 -0.156 0.000 1.389 57 I HN 0.446 nan 8.210 nan 0.000 0.484 58 V N 6.897 126.698 119.914 -0.189 0.000 2.686 58 V HA 0.503 4.623 4.120 0.000 0.000 0.306 58 V C -1.007 174.987 176.094 -0.168 0.000 1.065 58 V CA -0.557 61.645 62.300 -0.164 0.000 0.894 58 V CB 1.980 33.714 31.823 -0.148 0.000 1.004 58 V HN 0.735 nan 8.190 nan 0.000 0.424 59 D N 2.565 122.866 120.400 -0.165 0.000 2.819 59 D HA 0.361 5.001 4.640 0.000 0.000 0.232 59 D C 0.504 176.703 176.300 -0.169 0.000 1.160 59 D CA -0.641 53.244 54.000 -0.192 0.000 0.858 59 D CB 3.020 43.663 40.800 -0.262 0.000 1.610 59 D HN 0.446 nan 8.370 nan 0.000 0.481 60 R N 1.633 122.039 120.500 -0.156 0.000 2.092 60 R HA 0.025 4.365 4.340 0.000 0.000 0.231 60 R C 0.724 176.929 176.300 -0.159 0.000 1.119 60 R CA 0.817 56.845 56.100 -0.121 0.000 0.970 60 R CB 0.344 30.587 30.300 -0.095 0.000 0.864 60 R HN 0.332 nan 8.270 nan 0.000 0.440 61 R N 0.237 120.586 120.500 -0.251 0.000 2.649 61 R HA 0.076 4.416 4.340 0.000 0.000 0.270 61 R C -1.849 174.242 176.300 -0.348 0.000 1.105 61 R CA -1.404 54.488 56.100 -0.348 0.000 1.193 61 R CB 0.190 30.105 30.300 -0.641 0.000 1.120 61 R HN 0.112 nan 8.270 nan 0.000 0.561 62 P HA 0.057 nan 4.420 nan 0.000 0.257 62 P C -1.242 175.934 177.300 -0.207 0.000 1.325 62 P CA 0.436 63.418 63.100 -0.197 0.000 0.850 62 P CB 0.111 31.756 31.700 -0.091 0.000 1.324 63 H N -1.167 117.720 119.070 -0.306 0.000 3.046 63 H HA 0.525 5.081 4.556 0.000 0.000 0.361 63 H C -0.058 175.035 175.328 -0.391 0.000 1.235 63 H CA -1.308 54.480 56.048 -0.432 0.000 1.146 63 H CB 0.448 29.635 29.762 -0.958 0.000 1.859 63 H HN -0.204 nan 8.280 nan 0.000 0.548 64 I N -1.048 119.443 120.570 -0.132 0.000 3.502 64 I HA 0.659 4.830 4.170 0.000 0.000 0.302 64 I C 1.066 177.000 176.117 -0.305 0.000 1.170 64 I CA 0.004 61.166 61.300 -0.232 0.000 0.953 64 I CB 0.758 38.635 38.000 -0.205 0.000 1.475 64 I HN 1.135 nan 8.210 nan 0.000 0.657 65 G N 0.459 108.737 108.800 -0.871 0.000 2.217 65 G HA2 -0.152 3.808 3.960 0.000 0.000 0.246 65 G HA3 -0.152 3.808 3.960 0.000 0.000 0.246 65 G C 1.069 175.471 174.900 -0.829 0.000 0.990 65 G CA 0.670 44.818 45.100 -1.587 0.000 0.627 65 G HN 2.033 nan 8.290 nan 0.000 0.522 66 G N 0.868 109.401 108.800 -0.445 0.000 2.692 66 G HA2 -0.483 3.477 3.960 0.000 0.000 0.339 66 G HA3 -0.483 3.477 3.960 0.000 0.000 0.339 66 G C 1.008 175.763 174.900 -0.241 0.000 1.226 66 G CA 1.401 46.324 45.100 -0.295 0.000 0.979 66 G HN 1.391 nan 8.290 nan 0.000 0.549 67 N N 1.383 119.909 118.700 -0.290 0.000 2.396 67 N HA 0.301 5.041 4.740 0.000 0.000 0.180 67 N C 2.087 177.336 175.510 -0.434 0.000 1.028 67 N CA 1.753 54.603 53.050 -0.333 0.000 0.893 67 N CB -0.229 38.200 38.487 -0.097 0.000 0.967 67 N HN 0.846 nan 8.380 nan 0.000 0.440 68 A N -1.111 121.409 122.820 -0.501 0.000 2.308 68 A HA 0.087 4.407 4.320 0.000 0.000 0.217 68 A C 0.080 177.379 177.584 -0.475 0.000 1.216 68 A CA -0.487 51.053 52.037 -0.828 0.000 0.864 68 A CB -0.597 18.068 19.000 -0.559 0.000 0.902 68 A HN 0.375 nan 8.150 nan 0.000 0.499 69 Y N 2.878 122.951 120.300 -0.378 0.000 2.810 69 Y HA 0.235 4.785 4.550 0.000 0.000 0.332 69 Y C -0.227 175.507 175.900 -0.275 0.000 1.243 69 Y CA -0.170 57.745 58.100 -0.309 0.000 1.537 69 Y CB 0.211 38.427 38.460 -0.406 0.000 1.265 69 Y HN 0.509 nan 8.280 nan 0.000 0.572 70 D N 4.962 124.907 120.400 -0.759 0.000 2.527 70 D HA 0.578 5.218 4.640 0.000 0.000 0.233 70 D C -0.960 174.768 176.300 -0.954 0.000 1.063 70 D CA -0.599 52.967 54.000 -0.723 0.000 0.880 70 D CB 1.119 41.739 40.800 -0.300 0.000 1.457 70 D HN 0.729 nan 8.370 nan 0.000 0.475 71 C N -1.348 117.508 119.300 -0.740 0.000 3.318 71 C HA 0.701 5.161 4.460 0.000 0.000 0.322 71 C C -1.316 173.394 174.990 -0.467 0.000 1.398 71 C CA -1.131 57.561 59.018 -0.543 0.000 1.339 71 C CB 0.031 27.493 27.740 -0.462 0.000 1.668 71 C HN 0.608 nan 8.230 nan 0.000 0.462 72 Y N 2.203 122.379 120.300 -0.207 0.000 2.336 72 Y HA 0.429 4.979 4.550 0.000 0.000 0.335 72 Y C 1.049 176.852 175.900 -0.161 0.000 1.046 72 Y CA 0.609 58.612 58.100 -0.162 0.000 1.198 72 Y CB 0.715 39.119 38.460 -0.094 0.000 1.182 72 Y HN 0.846 nan 8.280 nan 0.000 0.502 73 D N 0.439 120.799 120.400 -0.067 0.000 2.414 73 D HA -0.027 4.613 4.640 0.000 0.000 0.251 73 D C 0.401 176.690 176.300 -0.019 0.000 1.252 73 D CA -0.342 53.602 54.000 -0.093 0.000 0.999 73 D CB 0.543 41.250 40.800 -0.155 0.000 1.093 73 D HN 0.451 nan 8.370 nan 0.000 0.515 74 D N -0.601 119.780 120.400 -0.031 0.000 2.322 74 D HA -0.102 4.538 4.640 0.000 0.000 0.210 74 D C 1.209 177.520 176.300 0.019 0.000 0.983 74 D CA 1.641 55.638 54.000 -0.005 0.000 0.902 74 D CB -0.215 40.579 40.800 -0.011 0.000 0.905 74 D HN 0.530 nan 8.370 nan 0.000 0.483 75 A N -1.317 121.512 122.820 0.015 0.000 2.390 75 A HA 0.533 4.853 4.320 0.000 0.000 0.232 75 A C 1.705 179.379 177.584 0.150 0.000 1.233 75 A CA 0.672 52.739 52.037 0.050 0.000 0.907 75 A CB 0.309 19.289 19.000 -0.032 0.000 0.967 75 A HN 0.172 nan 8.150 nan 0.000 0.512 76 G N -0.963 107.919 108.800 0.136 0.000 2.141 76 G HA2 -0.187 3.773 3.960 0.000 0.000 0.242 76 G HA3 -0.187 3.773 3.960 0.000 0.000 0.242 76 G C 0.137 175.230 174.900 0.322 0.000 0.982 76 G CA 0.137 45.386 45.100 0.248 0.000 0.662 76 G HN 0.813 nan 8.290 nan 0.000 0.527 77 V N 1.415 121.336 119.914 0.012 0.000 2.546 77 V HA 0.535 4.655 4.120 0.000 0.000 0.284 77 V C 0.837 176.817 176.094 -0.189 0.000 1.050 77 V CA -0.703 61.511 62.300 -0.143 0.000 0.981 77 V CB 1.624 33.258 31.823 -0.315 0.000 0.990 77 V HN 0.418 nan 8.190 nan 0.000 0.474 78 L N 7.829 128.859 121.223 -0.321 0.000 2.385 78 L HA 0.456 4.796 4.340 0.000 0.000 0.281 78 L C -0.181 176.348 176.870 -0.568 0.000 1.106 78 L CA 0.548 54.981 54.840 -0.678 0.000 0.856 78 L CB -0.357 41.307 42.059 -0.659 0.000 1.186 78 L HN 0.649 nan 8.230 nan 0.000 0.453 79 I N 1.225 121.374 120.570 -0.701 0.000 3.436 79 I HA 0.571 4.741 4.170 0.000 0.000 0.296 79 I C -0.803 174.836 176.117 -0.797 0.000 1.143 79 I CA -0.701 59.876 61.300 -1.205 0.000 1.009 79 I CB 1.910 39.206 38.000 -1.172 0.000 1.301 79 I HN 0.522 nan 8.210 nan 0.000 0.503 80 H N 0.619 118.942 119.070 -1.244 0.000 2.953 80 H HA 0.291 4.847 4.556 0.000 0.000 0.290 80 H C -2.193 172.966 175.328 -0.281 0.000 1.113 80 H CA -1.825 53.967 56.048 -0.426 0.000 1.454 80 H CB 1.232 31.063 29.762 0.115 0.000 1.525 80 H HN 0.444 nan 8.280 nan 0.000 0.505 81 P HA -0.184 nan 4.420 nan 0.000 0.221 81 P C -0.116 176.832 177.300 -0.586 0.000 1.145 81 P CA 1.388 64.220 63.100 -0.447 0.000 0.795 81 P CB 0.039 31.352 31.700 -0.646 0.000 0.775 82 Y N -0.755 119.364 120.300 -0.302 0.000 2.781 82 Y HA 0.574 5.124 4.550 0.000 0.000 0.326 82 Y C 1.183 176.648 175.900 -0.724 0.000 1.019 82 Y CA -0.343 57.361 58.100 -0.660 0.000 1.372 82 Y CB 0.018 38.382 38.460 -0.159 0.000 1.260 82 Y HN -0.085 nan 8.280 nan 0.000 0.546 83 G N 1.446 109.877 108.800 -0.616 0.000 2.712 83 G HA2 -0.140 3.821 3.960 0.000 0.000 0.686 83 G HA3 -0.140 3.821 3.960 0.000 0.000 0.686 83 G C -3.129 171.946 174.900 0.292 0.000 1.181 83 G CA -1.570 43.446 45.100 -0.140 0.000 0.762 83 G HN 0.009 nan 8.290 nan 0.000 0.641 84 P HA 0.202 nan 4.420 nan 0.000 0.267 84 P C -0.567 176.965 177.300 0.386 0.000 1.205 84 P CA 0.415 63.769 63.100 0.424 0.000 0.765 84 P CB 0.373 32.092 31.700 0.032 0.000 0.828 85 H N 2.617 122.050 119.070 0.605 0.000 2.595 85 H HA 0.444 5.000 4.556 0.000 0.000 0.313 85 H C -0.093 175.550 175.328 0.525 0.000 1.023 85 H CA -0.377 55.889 56.048 0.365 0.000 1.218 85 H CB 0.228 30.021 29.762 0.052 0.000 1.403 85 H HN 0.249 nan 8.280 nan 0.000 0.477 86 I N 3.990 124.835 120.570 0.460 0.000 2.307 86 I HA 0.097 4.267 4.170 0.000 0.000 0.289 86 I C -0.336 176.096 176.117 0.525 0.000 1.021 86 I CA -0.437 61.161 61.300 0.497 0.000 1.224 86 I CB 0.250 38.433 38.000 0.305 0.000 1.376 86 I HN 0.431 nan 8.210 nan 0.000 0.470 87 F N 7.719 127.968 119.950 0.500 0.000 2.456 87 F HA 0.429 4.956 4.527 0.000 0.000 0.358 87 F C 0.180 176.128 175.800 0.246 0.000 1.095 87 F CA 0.130 58.350 58.000 0.367 0.000 1.216 87 F CB 0.102 39.401 39.000 0.498 0.000 1.125 87 F HN 0.642 nan 8.300 nan 0.000 0.549 88 H N 1.570 120.042 119.070 -0.998 0.000 3.087 88 H HA 0.506 5.062 4.556 0.000 0.000 0.348 88 H C -1.309 173.507 175.328 -0.854 0.000 1.092 88 H CA -1.007 54.577 56.048 -0.775 0.000 1.285 88 H CB 1.404 30.703 29.762 -0.772 0.000 1.875 88 H HN 0.558 nan 8.280 nan 0.000 0.512 89 T N 1.392 115.612 114.554 -0.556 0.000 2.903 89 T HA 0.265 4.615 4.350 0.000 0.000 0.299 89 T C -0.064 174.603 174.700 -0.055 0.000 1.093 89 T CA -0.800 61.080 62.100 -0.368 0.000 1.002 89 T CB 1.326 70.036 68.868 -0.263 0.000 1.127 89 T HN 0.757 nan 8.240 nan 0.000 0.488 90 N N 1.318 119.999 118.700 -0.033 0.000 2.280 90 N HA 0.083 4.823 4.740 0.000 0.000 0.192 90 N C 0.175 175.772 175.510 0.144 0.000 1.109 90 N CA 0.118 53.205 53.050 0.063 0.000 0.855 90 N CB 0.631 39.119 38.487 0.001 0.000 0.974 90 N HN 0.475 nan 8.380 nan 0.000 0.482 91 S N 0.902 116.649 115.700 0.078 0.000 2.409 91 S HA 0.153 4.623 4.470 0.000 0.000 0.308 91 S C 1.272 175.848 174.600 -0.041 0.000 1.080 91 S CA -0.573 57.651 58.200 0.040 0.000 1.081 91 S CB 0.859 64.059 63.200 0.000 0.000 1.009 91 S HN 0.114 nan 8.310 nan 0.000 0.502 92 K N 3.633 124.026 120.400 -0.012 0.000 2.107 92 K HA -0.207 4.113 4.320 0.000 0.000 0.211 92 K C 0.858 177.403 176.600 -0.091 0.000 1.049 92 K CA 2.227 58.410 56.287 -0.173 0.000 0.927 92 K CB -0.100 32.428 32.500 0.047 0.000 0.714 92 K HN 0.639 nan 8.250 nan 0.000 0.452 93 D N -0.074 120.321 120.400 -0.007 0.000 2.084 93 D HA -0.132 4.508 4.640 0.000 0.000 0.196 93 D C 2.003 178.348 176.300 0.074 0.000 0.985 93 D CA 1.222 55.241 54.000 0.031 0.000 0.826 93 D CB -0.316 40.501 40.800 0.028 0.000 0.978 93 D HN 0.032 nan 8.370 nan 0.000 0.456 94 V N 0.936 120.898 119.914 0.080 0.000 2.287 94 V HA -0.252 3.868 4.120 0.000 0.000 0.248 94 V C 2.243 178.465 176.094 0.215 0.000 1.053 94 V CA 1.494 63.894 62.300 0.168 0.000 1.027 94 V CB -0.610 31.301 31.823 0.146 0.000 0.646 94 V HN 0.120 nan 8.190 nan 0.000 0.447 95 F N 1.008 120.925 119.950 -0.056 0.000 2.102 95 F HA -0.186 4.341 4.527 0.000 0.000 0.298 95 F C 2.478 178.237 175.800 -0.067 0.000 1.105 95 F CA 2.093 59.999 58.000 -0.156 0.000 1.239 95 F CB -0.108 38.530 39.000 -0.603 0.000 0.991 95 F HN 0.206 nan 8.300 nan 0.000 0.474 96 E N -1.039 119.129 120.200 -0.053 0.000 2.150 96 E HA -0.265 4.085 4.350 0.000 0.000 0.193 96 E C 1.894 178.451 176.600 -0.071 0.000 0.985 96 E CA 1.334 57.690 56.400 -0.074 0.000 0.814 96 E CB -0.531 29.170 29.700 0.002 0.000 0.752 96 E HN 0.617 nan 8.360 nan 0.000 0.466 97 Y N 1.556 121.806 120.300 -0.083 0.000 2.089 97 Y HA -0.230 4.320 4.550 0.000 0.000 0.282 97 Y C 1.961 177.802 175.900 -0.098 0.000 1.139 97 Y CA 1.193 59.252 58.100 -0.067 0.000 1.123 97 Y CB -0.320 38.157 38.460 0.028 0.000 0.980 97 Y HN -0.044 nan 8.280 nan 0.000 0.493 98 L N 0.189 121.307 121.223 -0.175 0.000 2.261 98 L HA -0.189 4.151 4.340 0.000 0.000 0.216 98 L C 2.392 179.081 176.870 -0.300 0.000 1.114 98 L CA 1.720 56.452 54.840 -0.180 0.000 0.777 98 L CB -1.585 40.502 42.059 0.047 0.000 0.910 98 L HN 0.250 nan 8.230 nan 0.000 0.440 99 S N -0.836 114.697 115.700 -0.278 0.000 2.474 99 S HA -0.084 4.386 4.470 0.000 0.000 0.235 99 S C 1.865 176.216 174.600 -0.416 0.000 0.997 99 S CA 0.526 58.576 58.200 -0.250 0.000 0.949 99 S CB -0.133 62.982 63.200 -0.141 0.000 0.766 99 S HN 0.490 nan 8.310 nan 0.000 0.517 100 R N -0.119 119.968 120.500 -0.689 0.000 2.236 100 R HA 0.110 4.450 4.340 0.000 0.000 0.208 100 R C 0.881 176.652 176.300 -0.882 0.000 1.036 100 R CA 0.906 56.496 56.100 -0.849 0.000 1.001 100 R CB -0.199 29.402 30.300 -1.165 0.000 0.896 100 R HN 0.457 nan 8.270 nan 0.000 0.464 101 F N -1.081 118.650 119.950 -0.364 0.000 2.724 101 F HA 0.242 4.769 4.527 0.000 0.000 0.306 101 F C 0.801 176.366 175.800 -0.392 0.000 1.100 101 F CA -0.292 57.495 58.000 -0.354 0.000 1.255 101 F CB 1.012 39.773 39.000 -0.399 0.000 1.072 101 F HN -0.212 nan 8.300 nan 0.000 0.589 102 T N -0.031 114.277 114.554 -0.410 0.000 2.923 102 T HA 0.320 4.671 4.350 0.000 0.000 0.311 102 T C -0.889 173.370 174.700 -0.734 0.000 1.183 102 T CA -0.570 61.185 62.100 -0.574 0.000 1.020 102 T CB 1.563 69.939 68.868 -0.821 0.000 1.165 102 T HN -0.004 nan 8.240 nan 0.000 0.482 103 E N 1.328 121.201 120.200 -0.546 0.000 2.312 103 E HA 0.461 4.811 4.350 0.000 0.000 0.259 103 E C -1.005 175.200 176.600 -0.657 0.000 1.122 103 E CA -0.504 55.618 56.400 -0.464 0.000 0.922 103 E CB 0.972 30.557 29.700 -0.192 0.000 1.109 103 E HN 0.481 nan 8.360 nan 0.000 0.442 104 W N 0.501 121.769 121.300 -0.053 0.000 2.689 104 W HA 0.394 5.054 4.660 0.000 0.000 0.340 104 W C -0.134 176.395 176.519 0.015 0.000 1.060 104 W CA -0.815 56.535 57.345 0.009 0.000 1.218 104 W CB 1.059 30.622 29.460 0.172 0.000 1.410 104 W HN 0.188 nan 8.180 nan 0.000 0.528 105 R N 3.383 124.042 120.500 0.265 0.000 2.215 105 R HA 0.398 4.738 4.340 0.000 0.000 0.336 105 R C -2.517 173.961 176.300 0.297 0.000 0.996 105 R CA -1.715 54.505 56.100 0.201 0.000 0.847 105 R CB 0.816 31.173 30.300 0.095 0.000 1.127 105 R HN 0.103 nan 8.270 nan 0.000 0.465 106 P HA -0.057 nan 4.420 nan 0.000 0.265 106 P C -1.703 175.791 177.300 0.323 0.000 1.193 106 P CA 0.485 63.735 63.100 0.250 0.000 0.765 106 P CB 0.168 31.967 31.700 0.166 0.000 0.823 107 Y N 1.560 121.955 120.300 0.159 0.000 2.357 107 Y HA 0.241 4.791 4.550 0.000 0.000 0.319 107 Y C -1.465 174.544 175.900 0.180 0.000 1.225 107 Y CA -0.515 57.686 58.100 0.167 0.000 1.095 107 Y CB 1.489 40.072 38.460 0.204 0.000 1.302 107 Y HN 0.293 nan 8.280 nan 0.000 0.429 108 Q N 5.378 124.946 119.800 -0.387 0.000 2.506 108 Q HA 0.193 4.533 4.340 0.000 0.000 0.242 108 Q C -1.039 174.617 176.000 -0.574 0.000 1.060 108 Q CA -0.883 54.719 55.803 -0.335 0.000 0.826 108 Q CB 0.746 29.401 28.738 -0.139 0.000 1.169 108 Q HN 0.715 nan 8.270 nan 0.000 0.521 109 H N 2.356 120.983 119.070 -0.740 0.000 3.152 109 H HA -0.052 4.504 4.556 0.000 0.000 0.319 109 H C -0.577 174.601 175.328 -0.251 0.000 0.994 109 H CA 1.229 56.987 56.048 -0.483 0.000 1.370 109 H CB 0.449 30.194 29.762 -0.029 0.000 1.322 109 H HN 0.385 nan 8.280 nan 0.000 0.590 110 R N 3.677 123.766 120.500 -0.684 0.000 2.513 110 R HA 0.450 4.790 4.340 0.000 0.000 0.301 110 R C -1.276 174.671 176.300 -0.589 0.000 0.968 110 R CA -1.036 54.779 56.100 -0.475 0.000 0.872 110 R CB 2.031 32.161 30.300 -0.282 0.000 1.177 110 R HN 0.295 nan 8.270 nan 0.000 0.444 111 V N 3.992 123.682 119.914 -0.373 0.000 2.581 111 V HA 0.472 4.592 4.120 0.000 0.000 0.303 111 V C -0.757 175.212 176.094 -0.207 0.000 1.041 111 V CA -0.894 61.213 62.300 -0.322 0.000 0.907 111 V CB 1.912 33.538 31.823 -0.328 0.000 0.994 111 V HN 0.440 nan 8.190 nan 0.000 0.442 112 L N 3.379 124.471 121.223 -0.218 0.000 2.381 112 L HA 0.810 5.150 4.340 0.000 0.000 0.274 112 L C 0.129 176.887 176.870 -0.186 0.000 0.988 112 L CA -0.443 54.295 54.840 -0.171 0.000 0.824 112 L CB 1.538 43.491 42.059 -0.177 0.000 1.263 112 L HN 0.797 nan 8.230 nan 0.000 0.410 113 A N 2.199 124.949 122.820 -0.118 0.000 2.290 113 A HA 0.601 4.921 4.320 0.000 0.000 0.310 113 A C 0.011 177.487 177.584 -0.180 0.000 1.202 113 A CA -0.350 51.597 52.037 -0.149 0.000 0.837 113 A CB 0.765 19.747 19.000 -0.030 0.000 1.139 113 A HN 0.625 nan 8.150 nan 0.000 0.509 114 S N 2.078 117.625 115.700 -0.256 0.000 2.494 114 S HA 0.465 4.935 4.470 0.000 0.000 0.312 114 S C -0.501 174.008 174.600 -0.152 0.000 1.121 114 S CA -0.259 57.841 58.200 -0.166 0.000 1.068 114 S CB -0.814 62.321 63.200 -0.108 0.000 1.141 114 S HN 0.617 nan 8.310 nan 0.000 0.527 115 V N 4.660 124.460 119.914 -0.190 0.000 2.709 115 V HA 0.372 4.492 4.120 0.000 0.000 0.308 115 V C -0.405 175.599 176.094 -0.150 0.000 1.062 115 V CA -0.945 61.200 62.300 -0.257 0.000 0.901 115 V CB 1.884 33.376 31.823 -0.552 0.000 1.003 115 V HN 0.804 nan 8.190 nan 0.000 0.425 116 D N 3.518 123.848 120.400 -0.116 0.000 2.692 116 D HA -0.187 4.453 4.640 0.000 0.000 0.233 116 D C 1.324 177.600 176.300 -0.041 0.000 1.172 116 D CA 1.864 55.825 54.000 -0.066 0.000 0.636 116 D CB -1.047 39.717 40.800 -0.059 0.000 1.028 116 D HN 1.521 nan 8.370 nan 0.000 0.419 117 G N -0.694 108.089 108.800 -0.028 0.000 2.166 117 G HA2 -0.356 3.604 3.960 0.000 0.000 0.260 117 G HA3 -0.356 3.604 3.960 0.000 0.000 0.260 117 G C 0.229 175.124 174.900 -0.007 0.000 0.986 117 G CA 0.877 45.975 45.100 -0.004 0.000 0.683 117 G HN 0.552 nan 8.290 nan 0.000 0.527 118 Q N -1.309 118.474 119.800 -0.029 0.000 2.416 118 Q HA 0.745 5.085 4.340 0.000 0.000 0.279 118 Q C -0.164 175.808 176.000 -0.047 0.000 1.101 118 Q CA -1.015 54.769 55.803 -0.032 0.000 0.830 118 Q CB 1.827 30.543 28.738 -0.036 0.000 1.402 118 Q HN 0.216 nan 8.270 nan 0.000 0.445 119 L N 2.533 123.728 121.223 -0.047 0.000 2.297 119 L HA 0.337 4.677 4.340 0.000 0.000 0.277 119 L C -1.225 175.613 176.870 -0.054 0.000 1.040 119 L CA -0.539 54.260 54.840 -0.069 0.000 0.867 119 L CB 0.320 42.334 42.059 -0.075 0.000 1.244 119 L HN 0.251 nan 8.230 nan 0.000 0.433 120 L N 5.256 126.461 121.223 -0.030 0.000 2.344 120 L HA 0.619 4.959 4.340 0.000 0.000 0.272 120 L C -2.137 174.734 176.870 0.001 0.000 1.035 120 L CA -2.418 52.430 54.840 0.014 0.000 0.807 120 L CB 1.124 43.257 42.059 0.123 0.000 1.237 120 L HN 0.197 nan 8.230 nan 0.000 0.442 121 P HA 0.327 nan 4.420 nan 0.000 0.271 121 P C -0.994 176.260 177.300 -0.077 0.000 1.216 121 P CA 0.001 63.061 63.100 -0.067 0.000 0.776 121 P CB 0.755 32.407 31.700 -0.080 0.000 0.881 122 I N 3.781 124.304 120.570 -0.078 0.000 2.610 122 I HA 0.408 4.578 4.170 0.000 0.000 0.289 122 I C -2.712 173.361 176.117 -0.075 0.000 1.163 122 I CA -3.032 58.207 61.300 -0.101 0.000 1.044 122 I CB 2.151 40.110 38.000 -0.067 0.000 1.251 122 I HN 0.168 nan 8.210 nan 0.000 0.424 123 P HA 0.003 nan 4.420 nan 0.000 0.263 123 P C -0.443 176.746 177.300 -0.185 0.000 1.162 123 P CA 0.476 63.452 63.100 -0.207 0.000 0.758 123 P CB 0.203 31.774 31.700 -0.215 0.000 0.773 124 I N 2.981 123.414 120.570 -0.227 0.000 2.828 124 I HA -0.117 4.053 4.170 0.000 0.000 0.292 124 I C 1.302 177.380 176.117 -0.065 0.000 1.206 124 I CA 0.768 61.921 61.300 -0.244 0.000 1.420 124 I CB -0.297 37.533 38.000 -0.284 0.000 1.368 124 I HN 0.513 nan 8.210 nan 0.000 0.556 125 N N 5.916 124.586 118.700 -0.050 0.000 3.201 125 N HA 0.291 5.031 4.740 0.000 0.000 0.344 125 N C 0.523 176.025 175.510 -0.013 0.000 1.465 125 N CA -0.879 52.170 53.050 -0.001 0.000 0.731 125 N CB 0.377 38.833 38.487 -0.051 0.000 1.677 125 N HN 0.396 nan 8.380 nan 0.000 0.631 126 L N -0.365 120.824 121.223 -0.057 0.000 2.043 126 L HA -0.165 4.175 4.340 0.000 0.000 0.212 126 L C 0.552 177.355 176.870 -0.112 0.000 1.075 126 L CA 2.161 56.932 54.840 -0.115 0.000 0.752 126 L CB -0.466 41.518 42.059 -0.126 0.000 0.891 126 L HN 0.543 nan 8.230 nan 0.000 0.432 127 D N -1.188 119.158 120.400 -0.091 0.000 2.183 127 D HA -0.110 4.530 4.640 0.000 0.000 0.203 127 D C 2.004 178.256 176.300 -0.081 0.000 0.969 127 D CA 1.355 55.305 54.000 -0.085 0.000 0.842 127 D CB 0.089 40.845 40.800 -0.074 0.000 0.957 127 D HN 0.363 nan 8.370 nan 0.000 0.484 128 T N 0.761 115.266 114.554 -0.081 0.000 2.708 128 T HA -0.094 4.256 4.350 0.000 0.000 0.266 128 T C 2.301 176.944 174.700 -0.095 0.000 1.037 128 T CA 0.754 62.806 62.100 -0.080 0.000 1.146 128 T CB -0.285 68.497 68.868 -0.143 0.000 0.865 128 T HN -0.026 nan 8.240 nan 0.000 0.435 129 V N 2.405 122.261 119.914 -0.096 0.000 2.307 129 V HA -0.151 3.969 4.120 0.000 0.000 0.245 129 V C 2.477 178.484 176.094 -0.145 0.000 1.045 129 V CA 1.464 63.695 62.300 -0.115 0.000 1.024 129 V CB -0.609 31.133 31.823 -0.135 0.000 0.651 129 V HN 0.424 nan 8.190 nan 0.000 0.449 130 N N 0.494 119.110 118.700 -0.140 0.000 2.120 130 N HA -0.142 4.598 4.740 0.000 0.000 0.188 130 N C 1.950 177.411 175.510 -0.083 0.000 1.024 130 N CA 1.394 54.375 53.050 -0.114 0.000 0.852 130 N CB -0.323 38.099 38.487 -0.107 0.000 1.003 130 N HN 0.495 nan 8.380 nan 0.000 0.424 131 R N -0.031 120.419 120.500 -0.084 0.000 2.193 131 R HA 0.052 4.392 4.340 0.000 0.000 0.213 131 R C 1.905 178.157 176.300 -0.081 0.000 1.055 131 R CA 0.262 56.323 56.100 -0.066 0.000 0.995 131 R CB -0.142 30.125 30.300 -0.054 0.000 0.893 131 R HN 0.123 nan 8.270 nan 0.000 0.459 132 L N -0.699 120.434 121.223 -0.149 0.000 2.068 132 L HA -0.061 4.279 4.340 0.000 0.000 0.204 132 L C 1.180 177.920 176.870 -0.216 0.000 1.076 132 L CA 1.727 56.419 54.840 -0.247 0.000 0.753 132 L CB -0.075 41.711 42.059 -0.455 0.000 0.910 132 L HN 0.028 nan 8.230 nan 0.000 0.439 133 Y N 0.121 120.414 120.300 -0.012 0.000 2.457 133 Y HA 0.455 5.005 4.550 0.000 0.000 0.263 133 Y C 1.657 177.531 175.900 -0.042 0.000 1.164 133 Y CA -0.322 57.765 58.100 -0.023 0.000 1.274 133 Y CB -0.330 38.093 38.460 -0.062 0.000 1.097 133 Y HN 0.242 nan 8.280 nan 0.000 0.523 134 G N 1.003 109.842 108.800 0.065 0.000 2.225 134 G HA2 -0.268 3.692 3.960 0.000 0.000 0.264 134 G HA3 -0.268 3.692 3.960 0.000 0.000 0.264 134 G C -0.203 174.699 174.900 0.003 0.000 1.060 134 G CA 0.068 45.182 45.100 0.024 0.000 0.833 134 G HN 0.270 nan 8.290 nan 0.000 0.498 135 L N -0.546 120.665 121.223 -0.020 0.000 2.358 135 L HA 0.544 4.884 4.340 0.000 0.000 0.268 135 L C 0.703 177.529 176.870 -0.074 0.000 1.032 135 L CA -1.042 53.760 54.840 -0.064 0.000 0.805 135 L CB 1.102 43.081 42.059 -0.134 0.000 1.253 135 L HN 0.089 nan 8.230 nan 0.000 0.452 136 N N 2.231 120.884 118.700 -0.077 0.000 2.696 136 N HA 0.308 5.048 4.740 0.000 0.000 0.308 136 N C -0.937 174.525 175.510 -0.080 0.000 1.915 136 N CA -0.133 52.874 53.050 -0.070 0.000 0.906 136 N CB 0.758 39.218 38.487 -0.046 0.000 1.284 136 N HN 0.359 nan 8.380 nan 0.000 0.488 137 L N 0.792 121.944 121.223 -0.119 0.000 2.436 137 L HA 0.259 4.599 4.340 0.000 0.000 0.265 137 L C 1.648 178.456 176.870 -0.102 0.000 1.168 137 L CA -0.156 54.614 54.840 -0.118 0.000 0.815 137 L CB 0.650 42.598 42.059 -0.185 0.000 1.109 137 L HN 0.204 nan 8.230 nan 0.000 0.462 138 T N -1.950 112.561 114.554 -0.070 0.000 2.810 138 T HA 0.136 4.486 4.350 0.000 0.000 0.277 138 T C 1.110 175.700 174.700 -0.183 0.000 0.973 138 T CA -0.506 61.539 62.100 -0.092 0.000 0.949 138 T CB 1.285 70.162 68.868 0.015 0.000 1.075 138 T HN 0.505 nan 8.240 nan 0.000 0.537 139 S N -0.217 115.269 115.700 -0.356 0.000 2.402 139 S HA 0.039 4.509 4.470 0.000 0.000 0.229 139 S C 1.495 175.867 174.600 -0.380 0.000 1.021 139 S CA 0.859 58.801 58.200 -0.431 0.000 0.974 139 S CB -0.699 62.153 63.200 -0.579 0.000 0.800 139 S HN 0.633 nan 8.310 nan 0.000 0.484 140 F N 1.782 121.717 119.950 -0.025 0.000 2.259 140 F HA 0.006 4.533 4.527 0.000 0.000 0.298 140 F C 2.514 178.305 175.800 -0.015 0.000 1.088 140 F CA 0.572 58.564 58.000 -0.014 0.000 1.358 140 F CB -0.746 38.247 39.000 -0.012 0.000 1.040 140 F HN 0.191 nan 8.300 nan 0.000 0.505 141 Q N -0.344 119.521 119.800 0.109 0.000 2.096 141 Q HA -0.093 4.247 4.340 0.000 0.000 0.197 141 Q C 2.433 178.435 176.000 0.003 0.000 0.964 141 Q CA 1.105 56.941 55.803 0.055 0.000 0.838 141 Q CB -0.491 28.261 28.738 0.023 0.000 0.906 141 Q HN 0.284 nan 8.270 nan 0.000 0.444 142 V N 1.096 120.950 119.914 -0.100 0.000 2.867 142 V HA -0.237 3.883 4.120 0.000 0.000 0.260 142 V C 1.924 177.889 176.094 -0.214 0.000 1.099 142 V CA 1.588 63.746 62.300 -0.236 0.000 1.122 142 V CB -0.179 31.401 31.823 -0.404 0.000 0.708 142 V HN 0.366 nan 8.190 nan 0.000 0.490 143 E N -0.283 119.902 120.200 -0.024 0.000 2.046 143 E HA -0.221 4.129 4.350 0.000 0.000 0.190 143 E C 2.146 178.818 176.600 0.121 0.000 0.982 143 E CA 1.460 57.923 56.400 0.105 0.000 0.800 143 E CB -0.056 29.714 29.700 0.116 0.000 0.756 143 E HN 0.732 nan 8.360 nan 0.000 0.449 144 E N -0.153 120.104 120.200 0.096 0.000 2.110 144 E HA -0.198 4.152 4.350 0.000 0.000 0.193 144 E C 1.864 178.520 176.600 0.093 0.000 0.988 144 E CA 0.960 57.412 56.400 0.086 0.000 0.804 144 E CB -0.206 29.540 29.700 0.078 0.000 0.745 144 E HN 0.262 nan 8.360 nan 0.000 0.458 145 F N 0.848 120.769 119.950 -0.049 0.000 2.102 145 F HA -0.216 4.311 4.527 0.000 0.000 0.298 145 F C 1.844 177.674 175.800 0.049 0.000 1.105 145 F CA 1.233 59.197 58.000 -0.059 0.000 1.239 145 F CB -0.178 38.726 39.000 -0.160 0.000 0.991 145 F HN -0.100 nan 8.300 nan 0.000 0.474 146 F N 1.004 120.954 119.950 0.000 0.000 2.126 146 F HA -0.145 4.382 4.527 0.000 0.000 0.299 146 F C 2.668 178.384 175.800 -0.140 0.000 1.096 146 F CA 0.996 58.939 58.000 -0.094 0.000 1.255 146 F CB -1.722 37.295 39.000 0.028 0.000 0.997 146 F HN 0.106 nan 8.300 nan 0.000 0.479 147 A N -0.734 122.151 122.820 0.108 0.000 2.067 147 A HA -0.109 4.211 4.320 0.000 0.000 0.219 147 A C 2.226 179.788 177.584 -0.037 0.000 1.158 147 A CA 1.559 53.613 52.037 0.028 0.000 0.661 147 A CB -0.905 18.118 19.000 0.038 0.000 0.801 147 A HN 0.376 nan 8.150 nan 0.000 0.452 148 S N -0.785 114.860 115.700 -0.092 0.000 2.558 148 S HA 0.108 4.578 4.470 0.000 0.000 0.217 148 S C 1.067 175.558 174.600 -0.182 0.000 0.975 148 S CA 0.885 59.012 58.200 -0.122 0.000 0.912 148 S CB -0.119 63.016 63.200 -0.108 0.000 0.776 148 S HN 1.019 nan 8.310 nan 0.000 0.526 149 V N -3.024 116.755 119.914 -0.225 0.000 3.382 149 V HA 0.680 4.800 4.120 0.000 0.000 0.296 149 V C 0.720 176.744 176.094 -0.117 0.000 1.529 149 V CA -0.302 61.876 62.300 -0.203 0.000 1.048 149 V CB -0.657 30.968 31.823 -0.329 0.000 0.878 149 V HN 0.500 nan 8.190 nan 0.000 0.442 150 A N 1.041 123.804 122.820 -0.095 0.000 2.483 150 A HA 0.454 4.774 4.320 0.000 0.000 0.238 150 A C 0.212 177.750 177.584 -0.077 0.000 1.070 150 A CA 0.141 52.129 52.037 -0.082 0.000 0.770 150 A CB -0.075 18.882 19.000 -0.071 0.000 1.008 150 A HN 0.642 nan 8.150 nan 0.000 0.497 151 E N 1.495 121.643 120.200 -0.086 0.000 2.109 151 E HA 0.158 4.508 4.350 0.000 0.000 0.278 151 E C -0.478 176.073 176.600 -0.082 0.000 0.954 151 E CA -0.717 55.634 56.400 -0.081 0.000 0.779 151 E CB 1.286 30.930 29.700 -0.093 0.000 1.093 151 E HN 0.517 nan 8.360 nan 0.000 0.401 152 K N 3.302 123.663 120.400 -0.065 0.000 2.447 152 K HA 0.086 4.406 4.320 0.000 0.000 0.281 152 K C -0.784 175.779 176.600 -0.063 0.000 1.031 152 K CA -0.002 56.249 56.287 -0.060 0.000 1.019 152 K CB 0.423 32.895 32.500 -0.046 0.000 0.918 152 K HN 0.276 nan 8.250 nan 0.000 0.476 153 V N 4.311 124.184 119.914 -0.067 0.000 2.459 153 V HA 0.138 4.258 4.120 0.000 0.000 0.295 153 V C 1.272 177.335 176.094 -0.052 0.000 1.029 153 V CA -0.852 61.409 62.300 -0.065 0.000 0.874 153 V CB 1.596 33.371 31.823 -0.080 0.000 0.985 153 V HN 0.746 nan 8.190 nan 0.000 0.438 154 E N 1.920 122.094 120.200 -0.044 0.000 2.021 154 E HA -0.190 4.160 4.350 0.000 0.000 0.200 154 E C 0.719 177.298 176.600 -0.036 0.000 1.015 154 E CA 1.507 57.885 56.400 -0.036 0.000 0.824 154 E CB 0.194 29.875 29.700 -0.030 0.000 0.762 154 E HN 0.791 nan 8.360 nan 0.000 0.454 155 Q N 0.176 119.954 119.800 -0.037 0.000 2.365 155 Q HA 0.356 4.696 4.340 0.000 0.000 0.269 155 Q C -1.409 174.565 176.000 -0.044 0.000 1.061 155 Q CA -0.429 55.353 55.803 -0.036 0.000 0.816 155 Q CB 2.363 31.084 28.738 -0.029 0.000 1.325 155 Q HN -0.100 nan 8.270 nan 0.000 0.446 156 V N 5.441 125.326 119.914 -0.047 0.000 2.339 156 V HA 0.232 4.352 4.120 0.000 0.000 0.261 156 V C 0.673 176.738 176.094 -0.049 0.000 1.058 156 V CA 0.213 62.479 62.300 -0.057 0.000 0.897 156 V CB 0.665 32.448 31.823 -0.066 0.000 1.052 156 V HN 0.800 nan 8.190 nan 0.000 0.480 157 R N 2.098 122.568 120.500 -0.050 0.000 2.140 157 R HA 0.139 4.479 4.340 0.000 0.000 0.200 157 R C 1.123 177.396 176.300 -0.044 0.000 1.069 157 R CA 0.735 56.811 56.100 -0.040 0.000 1.088 157 R CB 0.189 30.469 30.300 -0.034 0.000 1.012 157 R HN 0.723 nan 8.270 nan 0.000 0.500 158 T N -2.453 112.070 114.554 -0.053 0.000 2.923 158 T HA 0.220 4.570 4.350 0.000 0.000 0.281 158 T C 1.057 175.721 174.700 -0.060 0.000 0.995 158 T CA -0.652 61.417 62.100 -0.052 0.000 0.985 158 T CB 1.823 70.666 68.868 -0.043 0.000 1.114 158 T HN -0.156 nan 8.240 nan 0.000 0.548 159 S N -0.542 115.129 115.700 -0.048 0.000 2.447 159 S HA -0.059 4.411 4.470 0.000 0.000 0.233 159 S C 1.771 176.366 174.600 -0.008 0.000 1.006 159 S CA 1.071 59.252 58.200 -0.032 0.000 0.957 159 S CB -0.505 62.688 63.200 -0.011 0.000 0.773 159 S HN 0.843 nan 8.310 nan 0.000 0.507 160 E N 1.156 121.349 120.200 -0.012 0.000 2.046 160 E HA -0.163 4.187 4.350 0.000 0.000 0.190 160 E C 1.114 177.558 176.600 -0.259 0.000 0.982 160 E CA 1.264 57.588 56.400 -0.127 0.000 0.800 160 E CB -0.046 29.569 29.700 -0.141 0.000 0.756 160 E HN 0.343 nan 8.360 nan 0.000 0.449 161 D N 0.503 120.797 120.400 -0.176 0.000 2.123 161 D HA -0.164 4.476 4.640 0.000 0.000 0.196 161 D C 2.126 178.322 176.300 -0.174 0.000 0.992 161 D CA 1.119 55.019 54.000 -0.168 0.000 0.833 161 D CB -0.293 40.438 40.800 -0.114 0.000 0.954 161 D HN 0.143 nan 8.370 nan 0.000 0.455 162 V N 0.812 120.630 119.914 -0.159 0.000 2.295 162 V HA -0.192 3.928 4.120 0.000 0.000 0.246 162 V C 2.671 178.626 176.094 -0.230 0.000 1.049 162 V CA 1.081 63.281 62.300 -0.168 0.000 1.024 162 V CB -0.423 31.311 31.823 -0.148 0.000 0.648 162 V HN 0.064 nan 8.190 nan 0.000 0.447 163 V N -0.912 118.830 119.914 -0.287 0.000 2.453 163 V HA -0.131 3.989 4.120 0.000 0.000 0.247 163 V C 2.332 178.274 176.094 -0.253 0.000 1.048 163 V CA 1.462 63.543 62.300 -0.365 0.000 1.049 163 V CB 0.082 31.647 31.823 -0.430 0.000 0.672 163 V HN 0.389 nan 8.190 nan 0.000 0.457 164 V N 0.783 120.530 119.914 -0.278 0.000 2.719 164 V HA -0.114 4.006 4.120 0.000 0.000 0.252 164 V C 2.467 178.450 176.094 -0.184 0.000 1.065 164 V CA 1.911 64.057 62.300 -0.255 0.000 1.086 164 V CB 0.084 31.681 31.823 -0.378 0.000 0.700 164 V HN 0.758 nan 8.190 nan 0.000 0.467 165 S N -1.369 114.223 115.700 -0.179 0.000 2.603 165 S HA 0.052 4.522 4.470 0.000 0.000 0.220 165 S C 1.565 176.079 174.600 -0.144 0.000 0.967 165 S CA 0.372 58.488 58.200 -0.140 0.000 0.920 165 S CB -0.048 63.079 63.200 -0.122 0.000 0.773 165 S HN 0.616 nan 8.310 nan 0.000 0.529 166 K N 0.520 120.806 120.400 -0.190 0.000 2.344 166 K HA 0.220 4.540 4.320 0.000 0.000 0.200 166 K C 1.419 177.805 176.600 -0.356 0.000 1.132 166 K CA 1.059 57.198 56.287 -0.246 0.000 0.935 166 K CB 0.705 33.041 32.500 -0.275 0.000 1.089 166 K HN 0.386 nan 8.250 nan 0.000 0.496 167 V N -2.874 116.855 119.914 -0.308 0.000 3.398 167 V HA 0.443 4.563 4.120 0.000 0.000 0.298 167 V C 0.398 176.478 176.094 -0.024 0.000 1.496 167 V CA 0.138 62.270 62.300 -0.281 0.000 1.044 167 V CB 0.172 31.792 31.823 -0.339 0.000 0.880 167 V HN 0.349 nan 8.190 nan 0.000 0.443 168 G N 1.568 110.341 108.800 -0.045 0.000 2.712 168 G HA2 -0.198 3.762 3.960 0.000 0.000 0.683 168 G HA3 -0.198 3.762 3.960 0.000 0.000 0.683 168 G C 0.058 175.003 174.900 0.076 0.000 1.320 168 G CA 0.280 45.378 45.100 -0.004 0.000 0.847 168 G HN 0.664 nan 8.290 nan 0.000 0.553 169 R N -0.147 120.396 120.500 0.073 0.000 2.153 169 R HA 0.074 4.414 4.340 0.000 0.000 0.218 169 R C 1.960 178.418 176.300 0.263 0.000 1.072 169 R CA 2.220 58.405 56.100 0.140 0.000 0.990 169 R CB -0.425 29.919 30.300 0.072 0.000 0.889 169 R HN 0.596 nan 8.270 nan 0.000 0.452 170 D N -0.374 120.166 120.400 0.233 0.000 2.120 170 D HA -0.066 4.574 4.640 0.000 0.000 0.202 170 D C 1.769 178.284 176.300 0.358 0.000 0.972 170 D CA 1.173 55.341 54.000 0.280 0.000 0.837 170 D CB 0.040 41.013 40.800 0.287 0.000 0.989 170 D HN 0.243 nan 8.370 nan 0.000 0.469 171 L N -0.238 121.230 121.223 0.410 0.000 2.017 171 L HA -0.178 4.162 4.340 0.000 0.000 0.208 171 L C 2.367 179.547 176.870 0.517 0.000 1.073 171 L CA 1.325 56.454 54.840 0.481 0.000 0.745 171 L CB -0.734 41.563 42.059 0.397 0.000 0.894 171 L HN 0.201 nan 8.230 nan 0.000 0.432 172 Y N 1.494 121.974 120.300 0.301 0.000 2.114 172 Y HA -0.344 4.206 4.550 0.000 0.000 0.282 172 Y C 2.482 178.573 175.900 0.318 0.000 1.165 172 Y CA 2.028 60.310 58.100 0.304 0.000 1.148 172 Y CB -0.349 38.182 38.460 0.119 0.000 0.972 172 Y HN 0.228 nan 8.280 nan 0.000 0.504 173 N N 0.620 119.427 118.700 0.178 0.000 2.058 173 N HA -0.170 4.570 4.740 0.000 0.000 0.191 173 N C 1.705 177.225 175.510 0.017 0.000 1.037 173 N CA 1.990 55.059 53.050 0.033 0.000 0.848 173 N CB -0.431 38.142 38.487 0.142 0.000 1.021 173 N HN 0.452 nan 8.380 nan 0.000 0.422 174 K N -0.857 119.598 120.400 0.092 0.000 2.211 174 K HA -0.020 4.300 4.320 0.000 0.000 0.203 174 K C 1.025 177.443 176.600 -0.302 0.000 1.050 174 K CA 0.958 57.190 56.287 -0.092 0.000 0.945 174 K CB -0.009 32.442 32.500 -0.082 0.000 0.732 174 K HN 0.170 nan 8.250 nan 0.000 0.451 175 F N -2.644 117.280 119.950 -0.044 0.000 2.778 175 F HA 0.205 4.732 4.527 0.000 0.000 0.314 175 F C 1.171 176.721 175.800 -0.416 0.000 1.073 175 F CA -0.117 57.746 58.000 -0.229 0.000 1.218 175 F CB 0.599 39.430 39.000 -0.281 0.000 1.037 175 F HN -0.141 nan 8.300 nan 0.000 0.594 176 F N -1.067 118.896 119.950 0.022 0.000 2.531 176 F HA 0.265 4.792 4.527 0.000 0.000 0.273 176 F C 2.291 178.019 175.800 -0.119 0.000 0.960 176 F CA 0.022 57.999 58.000 -0.039 0.000 1.207 176 F CB -0.428 38.546 39.000 -0.044 0.000 1.012 176 F HN -0.414 nan 8.300 nan 0.000 0.738 177 R N 0.816 121.169 120.500 -0.244 0.000 2.103 177 R HA -0.141 4.199 4.340 0.000 0.000 0.234 177 R C 2.354 178.650 176.300 -0.007 0.000 1.132 177 R CA 2.078 58.023 56.100 -0.257 0.000 0.925 177 R CB -1.127 28.946 30.300 -0.379 0.000 0.842 177 R HN 0.385 nan 8.270 nan 0.000 0.430 178 G N -0.667 108.132 108.800 -0.002 0.000 2.418 178 G HA2 -0.333 3.627 3.960 0.000 0.000 0.217 178 G HA3 -0.333 3.627 3.960 0.000 0.000 0.217 178 G C 1.323 176.266 174.900 0.072 0.000 1.158 178 G CA 0.897 46.014 45.100 0.028 0.000 0.771 178 G HN 0.497 nan 8.290 nan 0.000 0.545 179 Y N 1.776 122.070 120.300 -0.010 0.000 2.070 179 Y HA -0.210 4.340 4.550 0.000 0.000 0.280 179 Y C 3.229 179.177 175.900 0.080 0.000 1.148 179 Y CA 2.549 60.659 58.100 0.016 0.000 1.125 179 Y CB -0.532 37.920 38.460 -0.014 0.000 0.975 179 Y HN 0.210 nan 8.280 nan 0.000 0.492 180 T N 0.783 115.585 114.554 0.414 0.000 2.624 180 T HA -0.277 4.073 4.350 0.000 0.000 0.268 180 T C 1.887 176.764 174.700 0.296 0.000 1.041 180 T CA 2.072 64.432 62.100 0.434 0.000 1.159 180 T CB -0.369 68.744 68.868 0.409 0.000 0.863 180 T HN 0.337 nan 8.240 nan 0.000 0.434 181 R N 0.599 121.205 120.500 0.176 0.000 2.103 181 R HA -0.107 4.233 4.340 0.000 0.000 0.242 181 R C 2.599 178.941 176.300 0.070 0.000 1.142 181 R CA 1.595 57.770 56.100 0.125 0.000 0.960 181 R CB -0.204 30.143 30.300 0.078 0.000 0.858 181 R HN 0.348 nan 8.270 nan 0.000 0.439 182 K N 0.500 120.896 120.400 -0.008 0.000 2.001 182 K HA -0.239 4.081 4.320 0.000 0.000 0.208 182 K C 2.239 178.745 176.600 -0.157 0.000 1.048 182 K CA 1.680 57.911 56.287 -0.095 0.000 0.932 182 K CB -0.005 32.392 32.500 -0.172 0.000 0.715 182 K HN -0.046 nan 8.250 nan 0.000 0.437 183 Q N -0.424 119.210 119.800 -0.277 0.000 2.030 183 Q HA -0.179 4.161 4.340 0.000 0.000 0.204 183 Q C 1.413 177.150 176.000 -0.437 0.000 0.986 183 Q CA 2.392 57.925 55.803 -0.450 0.000 0.843 183 Q CB -0.244 28.128 28.738 -0.609 0.000 0.904 183 Q HN 0.462 nan 8.270 nan 0.000 0.420 184 W N -1.566 119.705 121.300 -0.048 0.000 2.762 184 W HA 0.382 5.042 4.660 0.000 0.000 0.265 184 W C 1.235 177.761 176.519 0.012 0.000 1.263 184 W CA 0.344 57.679 57.345 -0.016 0.000 1.411 184 W CB 0.269 29.734 29.460 0.008 0.000 1.065 184 W HN 0.349 nan 8.180 nan 0.000 0.609 185 G N 0.342 109.269 108.800 0.212 0.000 2.136 185 G HA2 -0.222 3.738 3.960 0.000 0.000 0.242 185 G HA3 -0.222 3.738 3.960 0.000 0.000 0.242 185 G C -0.563 174.430 174.900 0.155 0.000 0.989 185 G CA -0.080 45.106 45.100 0.145 0.000 0.682 185 G HN 0.044 nan 8.290 nan 0.000 0.522 186 L N 0.224 121.566 121.223 0.197 0.000 2.371 186 L HA 0.601 4.941 4.340 0.000 0.000 0.262 186 L C 0.074 177.024 176.870 0.133 0.000 1.006 186 L CA -1.527 53.396 54.840 0.139 0.000 0.818 186 L CB 1.591 43.715 42.059 0.109 0.000 1.354 186 L HN 0.212 nan 8.230 nan 0.000 0.415 187 D N 2.175 122.636 120.400 0.101 0.000 2.362 187 D HA 0.128 4.768 4.640 0.000 0.000 0.242 187 D C -1.753 174.612 176.300 0.108 0.000 1.132 187 D CA -1.246 52.823 54.000 0.115 0.000 0.907 187 D CB 2.198 43.060 40.800 0.104 0.000 1.195 187 D HN 0.253 nan 8.370 nan 0.000 0.429 188 P HA -0.119 nan 4.420 nan 0.000 0.223 188 P C 1.237 178.585 177.300 0.081 0.000 1.144 188 P CA 0.950 64.137 63.100 0.144 0.000 0.783 188 P CB 0.091 31.974 31.700 0.305 0.000 0.771 189 S N -0.685 115.066 115.700 0.085 0.000 2.453 189 S HA -0.087 4.383 4.470 0.000 0.000 0.231 189 S C 1.434 176.039 174.600 0.009 0.000 1.005 189 S CA 0.768 58.987 58.200 0.032 0.000 0.949 189 S CB -0.841 62.381 63.200 0.037 0.000 0.774 189 S HN 0.259 nan 8.310 nan 0.000 0.510 190 E N 0.402 120.609 120.200 0.012 0.000 2.463 190 E HA 0.360 4.710 4.350 0.000 0.000 0.193 190 E C -0.445 176.131 176.600 -0.039 0.000 1.041 190 E CA -0.145 56.254 56.400 -0.002 0.000 0.879 190 E CB 0.273 29.984 29.700 0.018 0.000 0.997 190 E HN 0.485 nan 8.360 nan 0.000 0.478 191 L N 0.998 122.179 121.223 -0.069 0.000 2.342 191 L HA 0.316 4.656 4.340 0.000 0.000 0.271 191 L C -0.086 176.719 176.870 -0.109 0.000 1.008 191 L CA -1.091 53.662 54.840 -0.146 0.000 0.818 191 L CB 1.843 43.736 42.059 -0.277 0.000 1.296 191 L HN -0.098 nan 8.230 nan 0.000 0.427 192 D N 0.939 121.273 120.400 -0.110 0.000 2.378 192 D HA 0.122 4.762 4.640 0.000 0.000 0.238 192 D C 0.962 177.222 176.300 -0.067 0.000 1.180 192 D CA 0.660 54.620 54.000 -0.067 0.000 0.895 192 D CB 1.451 42.225 40.800 -0.043 0.000 1.192 192 D HN 0.600 nan 8.370 nan 0.000 0.438 193 A N 1.621 124.412 122.820 -0.048 0.000 2.019 193 A HA -0.151 4.169 4.320 0.000 0.000 0.219 193 A C 2.044 179.604 177.584 -0.040 0.000 1.164 193 A CA 1.820 53.827 52.037 -0.049 0.000 0.644 193 A CB -0.910 18.062 19.000 -0.048 0.000 0.805 193 A HN 0.600 nan 8.150 nan 0.000 0.449 194 S N -0.716 114.969 115.700 -0.025 0.000 2.547 194 S HA -0.020 4.450 4.470 0.000 0.000 0.235 194 S C 1.510 176.110 174.600 0.000 0.000 0.980 194 S CA 1.081 59.276 58.200 -0.009 0.000 0.941 194 S CB -0.505 62.703 63.200 0.014 0.000 0.763 194 S HN 0.227 nan 8.310 nan 0.000 0.532 195 V N 2.641 122.554 119.914 -0.002 0.000 2.278 195 V HA -0.086 4.034 4.120 0.000 0.000 0.238 195 V C 3.105 179.261 176.094 0.102 0.000 1.039 195 V CA 2.005 64.340 62.300 0.057 0.000 1.017 195 V CB -1.370 30.404 31.823 -0.083 0.000 0.657 195 V HN 0.796 nan 8.190 nan 0.000 0.462 196 T N -0.966 113.631 114.554 0.071 0.000 3.035 196 T HA 0.012 4.362 4.350 0.000 0.000 0.268 196 T C 1.768 176.468 174.700 0.000 0.000 1.109 196 T CA 1.116 63.271 62.100 0.092 0.000 1.119 196 T CB -0.307 68.553 68.868 -0.013 0.000 0.900 196 T HN 0.409 nan 8.240 nan 0.000 0.503 197 A N 2.014 124.813 122.820 -0.034 0.000 2.070 197 A HA 0.015 4.335 4.320 0.000 0.000 0.220 197 A C 2.476 180.039 177.584 -0.036 0.000 1.159 197 A CA 0.862 52.866 52.037 -0.056 0.000 0.656 197 A CB -0.655 18.313 19.000 -0.053 0.000 0.800 197 A HN 0.534 nan 8.150 nan 0.000 0.453 198 R N -0.816 119.676 120.500 -0.014 0.000 2.200 198 R HA -0.044 4.296 4.340 0.000 0.000 0.234 198 R C -0.331 175.946 176.300 -0.037 0.000 1.127 198 R CA 0.870 56.957 56.100 -0.022 0.000 0.989 198 R CB -0.255 30.023 30.300 -0.036 0.000 0.869 198 R HN 0.324 nan 8.270 nan 0.000 0.459 199 V N 3.748 123.653 119.914 -0.014 0.000 2.293 199 V HA 0.197 4.317 4.120 0.000 0.000 0.275 199 V C -1.964 174.091 176.094 -0.066 0.000 1.021 199 V CA -2.092 60.162 62.300 -0.076 0.000 0.815 199 V CB 1.176 33.014 31.823 0.024 0.000 1.025 199 V HN 0.055 nan 8.190 nan 0.000 0.448 200 P HA 0.077 nan 4.420 nan 0.000 0.266 200 P C -0.156 177.082 177.300 -0.103 0.000 1.193 200 P CA 0.226 63.260 63.100 -0.111 0.000 0.770 200 P CB 0.478 32.104 31.700 -0.122 0.000 0.836 201 T N 3.640 118.127 114.554 -0.111 0.000 2.794 201 T HA 0.448 4.798 4.350 0.000 0.000 0.280 201 T C 0.247 174.907 174.700 -0.067 0.000 0.987 201 T CA -0.627 61.393 62.100 -0.134 0.000 0.993 201 T CB 0.914 69.625 68.868 -0.262 0.000 0.939 201 T HN 0.312 nan 8.240 nan 0.000 0.449 202 R N 1.029 121.537 120.500 0.013 0.000 2.750 202 R HA 0.496 4.836 4.340 0.000 0.000 0.281 202 R C 0.831 177.240 176.300 0.181 0.000 0.972 202 R CA -0.755 55.379 56.100 0.056 0.000 0.912 202 R CB 1.349 31.642 30.300 -0.012 0.000 1.187 202 R HN 0.738 nan 8.270 nan 0.000 0.464 203 T N -2.871 111.754 114.554 0.119 0.000 3.060 203 T HA -0.010 4.340 4.350 0.000 0.000 0.249 203 T C 0.732 175.397 174.700 -0.059 0.000 1.079 203 T CA -0.232 61.904 62.100 0.059 0.000 1.013 203 T CB -0.298 68.596 68.868 0.044 0.000 0.975 203 T HN 0.583 nan 8.240 nan 0.000 0.518 204 N N 1.845 120.512 118.700 -0.054 0.000 2.418 204 N HA 0.212 4.952 4.740 0.000 0.000 0.283 204 N C 0.277 175.737 175.510 -0.082 0.000 1.267 204 N CA -1.016 51.980 53.050 -0.090 0.000 0.975 204 N CB 0.520 38.959 38.487 -0.080 0.000 1.167 204 N HN 0.120 nan 8.380 nan 0.000 0.581 205 R N -1.451 118.996 120.500 -0.088 0.000 2.515 205 R HA 0.165 4.505 4.340 0.000 0.000 0.294 205 R C -0.623 175.632 176.300 -0.076 0.000 1.021 205 R CA -0.470 55.580 56.100 -0.082 0.000 1.081 205 R CB -0.277 29.973 30.300 -0.083 0.000 1.263 205 R HN 0.547 nan 8.270 nan 0.000 0.557 206 D N 2.322 122.677 120.400 -0.075 0.000 2.371 206 D HA -0.045 4.595 4.640 0.000 0.000 0.256 206 D C 0.397 176.646 176.300 -0.086 0.000 1.193 206 D CA 0.174 54.128 54.000 -0.077 0.000 0.881 206 D CB 0.700 41.455 40.800 -0.075 0.000 1.143 206 D HN 0.223 nan 8.370 nan 0.000 0.473 207 N N 2.897 121.544 118.700 -0.088 0.000 2.234 207 N HA 0.017 4.757 4.740 0.000 0.000 0.227 207 N C -0.340 175.104 175.510 -0.110 0.000 1.151 207 N CA -0.390 52.602 53.050 -0.097 0.000 0.865 207 N CB 0.181 38.614 38.487 -0.091 0.000 1.066 207 N HN 0.151 nan 8.380 nan 0.000 0.515 208 R N -0.210 120.224 120.500 -0.109 0.000 2.490 208 R HA 0.165 4.505 4.340 0.000 0.000 0.278 208 R C 0.443 176.655 176.300 -0.146 0.000 1.069 208 R CA -0.617 55.414 56.100 -0.114 0.000 1.080 208 R CB 0.553 30.803 30.300 -0.084 0.000 1.030 208 R HN -0.009 nan 8.270 nan 0.000 0.491 209 Y N 1.312 121.397 120.300 -0.358 0.000 2.293 209 Y HA -0.006 4.544 4.550 0.000 0.000 0.291 209 Y C -0.162 175.293 175.900 -0.741 0.000 1.137 209 Y CA 1.285 59.029 58.100 -0.594 0.000 1.202 209 Y CB 0.323 38.311 38.460 -0.787 0.000 0.990 209 Y HN 0.391 nan 8.280 nan 0.000 0.537 210 F N -1.843 118.058 119.950 -0.082 0.000 2.508 210 F HA 0.560 5.087 4.527 0.000 0.000 0.325 210 F C 0.609 176.336 175.800 -0.122 0.000 1.090 210 F CA -0.661 57.238 58.000 -0.168 0.000 0.945 210 F CB 1.600 40.449 39.000 -0.252 0.000 1.156 210 F HN -0.219 nan 8.300 nan 0.000 0.463 211 A N 0.819 123.685 122.820 0.076 0.000 2.500 211 A HA 0.268 4.588 4.320 0.000 0.000 0.267 211 A C -0.252 177.330 177.584 -0.002 0.000 1.290 211 A CA -0.360 51.680 52.037 0.005 0.000 0.928 211 A CB -0.700 18.281 19.000 -0.032 0.000 1.066 211 A HN 0.680 nan 8.150 nan 0.000 0.516 212 D N -0.313 120.112 120.400 0.041 0.000 2.378 212 D HA 0.168 4.808 4.640 0.000 0.000 0.238 212 D C 1.285 177.516 176.300 -0.114 0.000 1.180 212 D CA 0.636 54.628 54.000 -0.014 0.000 0.895 212 D CB 0.689 41.501 40.800 0.021 0.000 1.192 212 D HN 0.099 nan 8.370 nan 0.000 0.438 213 T N 0.135 114.572 114.554 -0.194 0.000 2.904 213 T HA -0.100 4.250 4.350 0.000 0.000 0.267 213 T C 0.110 174.383 174.700 -0.712 0.000 1.059 213 T CA 1.127 62.956 62.100 -0.451 0.000 1.137 213 T CB -0.156 68.386 68.868 -0.543 0.000 0.879 213 T HN 0.318 nan 8.240 nan 0.000 0.467 214 Y N 1.318 121.446 120.300 -0.286 0.000 2.338 214 Y HA 0.504 5.054 4.550 0.000 0.000 0.328 214 Y C -0.023 175.684 175.900 -0.322 0.000 0.965 214 Y CA -1.074 56.734 58.100 -0.486 0.000 1.208 214 Y CB 1.086 39.063 38.460 -0.805 0.000 1.132 214 Y HN -0.046 nan 8.280 nan 0.000 0.469 215 Q N 3.035 122.766 119.800 -0.115 0.000 2.303 215 Q HA 0.850 5.190 4.340 0.000 0.000 0.267 215 Q C -1.247 174.844 176.000 0.151 0.000 1.011 215 Q CA -0.843 54.988 55.803 0.047 0.000 0.740 215 Q CB 2.415 31.179 28.738 0.042 0.000 1.250 215 Q HN 0.776 nan 8.270 nan 0.000 0.458 216 A N 2.673 125.693 122.820 0.334 0.000 2.583 216 A HA 0.723 5.043 4.320 0.000 0.000 0.292 216 A C -1.601 176.399 177.584 0.693 0.000 1.045 216 A CA -0.746 51.574 52.037 0.471 0.000 0.672 216 A CB 1.447 20.692 19.000 0.409 0.000 1.283 216 A HN 0.496 nan 8.150 nan 0.000 0.419 217 M N 0.905 120.861 119.600 0.593 0.000 2.508 217 M HA 0.428 4.908 4.480 0.000 0.000 0.327 217 M C -2.659 173.767 176.300 0.209 0.000 1.160 217 M CA -2.494 53.040 55.300 0.390 0.000 0.980 217 M CB 0.897 33.610 32.600 0.189 0.000 1.693 217 M HN 0.281 nan 8.290 nan 0.000 0.452 218 P HA 0.028 nan 4.420 nan 0.000 0.265 218 P C 0.958 178.031 177.300 -0.379 0.000 1.222 218 P CA -0.173 62.611 63.100 -0.526 0.000 0.767 218 P CB 0.246 31.553 31.700 -0.655 0.000 0.801 219 L N 4.769 125.747 121.223 -0.408 0.000 2.054 219 L HA -0.241 4.099 4.340 0.000 0.000 0.220 219 L C 1.385 177.936 176.870 -0.531 0.000 1.081 219 L CA 2.215 56.770 54.840 -0.476 0.000 0.780 219 L CB -0.918 40.725 42.059 -0.695 0.000 0.893 219 L HN 0.509 nan 8.230 nan 0.000 0.438 220 H N -0.854 118.128 119.070 -0.146 0.000 2.505 220 H HA 0.539 5.095 4.556 0.000 0.000 0.286 220 H C 0.876 176.128 175.328 -0.126 0.000 1.072 220 H CA 0.433 56.424 56.048 -0.095 0.000 1.141 220 H CB -0.380 29.341 29.762 -0.068 0.000 1.550 220 H HN 0.385 nan 8.280 nan 0.000 0.547 221 G N 0.032 108.740 108.800 -0.154 0.000 2.675 221 G HA2 -0.243 3.717 3.960 0.000 0.000 0.686 221 G HA3 -0.243 3.717 3.960 0.000 0.000 0.686 221 G C 0.090 174.867 174.900 -0.205 0.000 1.215 221 G CA -0.573 44.409 45.100 -0.196 0.000 0.777 221 G HN 0.248 nan 8.290 nan 0.000 0.638 222 Y N 0.636 120.886 120.300 -0.083 0.000 2.128 222 Y HA -0.168 4.382 4.550 0.000 0.000 0.284 222 Y C 3.407 179.361 175.900 0.091 0.000 1.154 222 Y CA 2.487 60.572 58.100 -0.026 0.000 1.149 222 Y CB -0.369 38.115 38.460 0.040 0.000 0.976 222 Y HN 0.666 nan 8.280 nan 0.000 0.505 223 T N 0.033 114.702 114.554 0.193 0.000 2.737 223 T HA -0.186 4.164 4.350 0.000 0.000 0.269 223 T C 1.913 176.680 174.700 0.111 0.000 1.040 223 T CA 1.242 63.436 62.100 0.157 0.000 1.142 223 T CB -0.146 68.717 68.868 -0.008 0.000 0.861 223 T HN 0.252 nan 8.240 nan 0.000 0.456 224 R N 0.356 120.877 120.500 0.034 0.000 2.093 224 R HA 0.170 4.510 4.340 0.000 0.000 0.224 224 R C 2.446 178.722 176.300 -0.040 0.000 1.101 224 R CA 0.653 56.754 56.100 0.002 0.000 0.979 224 R CB -0.588 29.715 30.300 0.005 0.000 0.877 224 R HN 0.447 nan 8.270 nan 0.000 0.441 225 M N -0.084 119.458 119.600 -0.096 0.000 2.067 225 M HA -0.169 4.311 4.480 0.000 0.000 0.260 225 M C 1.724 177.877 176.300 -0.245 0.000 1.069 225 M CA 1.862 57.035 55.300 -0.212 0.000 1.117 225 M CB -0.230 32.164 32.600 -0.343 0.000 1.334 225 M HN -0.022 nan 8.290 nan 0.000 0.407 226 F N 0.738 120.574 119.950 -0.189 0.000 2.161 226 F HA -0.273 4.254 4.527 0.000 0.000 0.300 226 F C 2.555 178.230 175.800 -0.208 0.000 1.089 226 F CA 1.731 59.585 58.000 -0.244 0.000 1.282 226 F CB -0.434 38.432 39.000 -0.222 0.000 1.010 226 F HN 0.306 nan 8.300 nan 0.000 0.485 227 Q N -0.089 119.733 119.800 0.036 0.000 2.124 227 Q HA -0.200 4.140 4.340 0.000 0.000 0.202 227 Q C 1.947 177.912 176.000 -0.060 0.000 0.977 227 Q CA 1.387 57.186 55.803 -0.007 0.000 0.850 227 Q CB -0.200 28.541 28.738 0.005 0.000 0.901 227 Q HN 0.371 nan 8.270 nan 0.000 0.429 228 N N 0.306 118.955 118.700 -0.084 0.000 2.142 228 N HA -0.140 4.600 4.740 0.000 0.000 0.186 228 N C 1.582 176.977 175.510 -0.193 0.000 1.023 228 N CA 1.087 54.096 53.050 -0.067 0.000 0.852 228 N CB -0.206 38.296 38.487 0.025 0.000 0.998 228 N HN 0.247 nan 8.380 nan 0.000 0.424 229 M N 0.291 119.608 119.600 -0.471 0.000 2.149 229 M HA -0.058 4.422 4.480 0.000 0.000 0.261 229 M C 0.938 177.009 176.300 -0.381 0.000 1.064 229 M CA 1.305 56.106 55.300 -0.832 0.000 1.102 229 M CB 0.088 32.166 32.600 -0.870 0.000 1.369 229 M HN 0.041 nan 8.290 nan 0.000 0.408 230 L N -0.775 120.326 121.223 -0.203 0.000 2.653 230 L HA 0.094 4.434 4.340 0.000 0.000 0.231 230 L C 1.999 178.826 176.870 -0.071 0.000 1.153 230 L CA -0.064 54.707 54.840 -0.116 0.000 0.933 230 L CB -0.357 41.653 42.059 -0.081 0.000 1.175 230 L HN 0.317 nan 8.230 nan 0.000 0.473 231 S N -1.856 113.805 115.700 -0.066 0.000 2.461 231 S HA -0.058 4.412 4.470 0.000 0.000 0.228 231 S C 1.223 175.818 174.600 -0.008 0.000 1.005 231 S CA 0.050 58.233 58.200 -0.028 0.000 0.942 231 S CB -0.111 63.078 63.200 -0.019 0.000 0.776 231 S HN 0.362 nan 8.310 nan 0.000 0.514 232 S N 3.055 118.752 115.700 -0.006 0.000 2.554 232 S HA 0.098 4.568 4.470 0.000 0.000 0.290 232 S C -1.621 172.992 174.600 0.022 0.000 1.309 232 S CA -0.748 57.460 58.200 0.014 0.000 1.047 232 S CB 0.447 63.657 63.200 0.016 0.000 0.828 232 S HN 0.168 nan 8.310 nan 0.000 0.509 233 P HA 0.028 nan 4.420 nan 0.000 0.226 233 P C 0.404 177.741 177.300 0.062 0.000 1.153 233 P CA 0.679 63.804 63.100 0.041 0.000 0.777 233 P CB 0.011 31.733 31.700 0.037 0.000 0.794 234 N N -0.600 118.140 118.700 0.067 0.000 2.398 234 N HA 0.075 4.815 4.740 0.000 0.000 0.188 234 N C 0.306 175.882 175.510 0.111 0.000 1.122 234 N CA 0.375 53.485 53.050 0.100 0.000 0.866 234 N CB 0.195 38.741 38.487 0.098 0.000 0.970 234 N HN 0.268 nan 8.380 nan 0.000 0.462 235 I N 1.500 122.111 120.570 0.069 0.000 2.355 235 I HA 0.197 4.367 4.170 0.000 0.000 0.288 235 I C -0.281 175.860 176.117 0.040 0.000 0.999 235 I CA -0.781 60.541 61.300 0.037 0.000 1.163 235 I CB 1.050 39.044 38.000 -0.011 0.000 1.316 235 I HN -0.403 nan 8.210 nan 0.000 0.454 236 K N 6.133 126.558 120.400 0.042 0.000 2.185 236 K HA 0.576 4.896 4.320 0.000 0.000 0.269 236 K C -0.687 175.879 176.600 -0.057 0.000 0.987 236 K CA -0.725 55.583 56.287 0.034 0.000 0.865 236 K CB 2.452 35.034 32.500 0.138 0.000 1.090 236 K HN 0.262 nan 8.250 nan 0.000 0.450 237 V N 3.793 123.680 119.914 -0.044 0.000 2.409 237 V HA 0.454 4.574 4.120 0.000 0.000 0.291 237 V C -0.223 175.830 176.094 -0.068 0.000 1.020 237 V CA -0.782 61.474 62.300 -0.075 0.000 0.848 237 V CB 1.532 33.316 31.823 -0.065 0.000 0.990 237 V HN 0.724 nan 8.190 nan 0.000 0.430 238 M N 6.253 125.796 119.600 -0.094 0.000 2.190 238 M HA 0.638 5.118 4.480 0.000 0.000 0.312 238 M C -1.641 174.601 176.300 -0.097 0.000 0.990 238 M CA -0.303 54.951 55.300 -0.077 0.000 0.927 238 M CB 1.260 33.817 32.600 -0.072 0.000 1.571 238 M HN 0.546 nan 8.290 nan 0.000 0.427 239 L N 3.135 124.306 121.223 -0.088 0.000 2.286 239 L HA 0.543 4.883 4.340 0.000 0.000 0.265 239 L C 0.617 177.430 176.870 -0.095 0.000 1.012 239 L CA -0.952 53.819 54.840 -0.116 0.000 0.818 239 L CB 1.442 43.427 42.059 -0.122 0.000 1.337 239 L HN 0.922 nan 8.230 nan 0.000 0.438 240 N N -0.045 118.586 118.700 -0.115 0.000 2.747 240 N HA -0.161 4.579 4.740 0.000 0.000 0.249 240 N C -1.000 174.470 175.510 -0.068 0.000 1.107 240 N CA 0.982 53.981 53.050 -0.086 0.000 0.707 240 N CB -0.639 37.811 38.487 -0.061 0.000 1.054 240 N HN 0.762 nan 8.380 nan 0.000 0.555 241 T N 0.405 114.913 114.554 -0.078 0.000 2.965 241 T HA 0.127 4.477 4.350 0.000 0.000 0.306 241 T C -1.187 173.478 174.700 -0.059 0.000 0.991 241 T CA -0.775 61.288 62.100 -0.061 0.000 1.001 241 T CB 1.471 70.305 68.868 -0.056 0.000 0.984 241 T HN 0.184 nan 8.240 nan 0.000 0.446 242 D N 2.372 122.736 120.400 -0.061 0.000 2.351 242 D HA 0.038 4.678 4.640 0.000 0.000 0.251 242 D C 1.271 177.519 176.300 -0.087 0.000 1.137 242 D CA -0.439 53.530 54.000 -0.051 0.000 0.879 242 D CB 0.843 41.587 40.800 -0.094 0.000 1.181 242 D HN 0.727 nan 8.370 nan 0.000 0.448 243 Y N 3.940 124.170 120.300 -0.118 0.000 2.241 243 Y HA -0.206 4.344 4.550 0.000 0.000 0.286 243 Y C 1.987 177.788 175.900 -0.164 0.000 1.166 243 Y CA 0.977 58.988 58.100 -0.148 0.000 1.203 243 Y CB -0.339 38.040 38.460 -0.135 0.000 0.977 243 Y HN 0.314 nan 8.280 nan 0.000 0.529 244 R N 0.852 120.772 120.500 -0.967 0.000 2.193 244 R HA -0.113 4.227 4.340 0.000 0.000 0.229 244 R C 1.797 177.851 176.300 -0.410 0.000 1.110 244 R CA 1.509 57.141 56.100 -0.780 0.000 0.988 244 R CB -0.322 29.512 30.300 -0.777 0.000 0.871 244 R HN 0.620 nan 8.270 nan 0.000 0.458 245 E N 0.446 120.459 120.200 -0.312 0.000 2.347 245 E HA -0.120 4.230 4.350 0.000 0.000 0.196 245 E C 1.117 177.529 176.600 -0.312 0.000 1.008 245 E CA 0.956 57.228 56.400 -0.213 0.000 0.852 245 E CB 0.190 29.818 29.700 -0.119 0.000 0.783 245 E HN 0.435 nan 8.360 nan 0.000 0.505 246 I N -5.279 115.051 120.570 -0.401 0.000 4.541 246 I HA 0.370 4.540 4.170 0.000 0.000 0.337 246 I C 1.517 177.277 176.117 -0.596 0.000 1.338 246 I CA -0.178 60.708 61.300 -0.690 0.000 1.244 246 I CB 0.560 38.403 38.000 -0.262 0.000 1.417 246 I HN -0.154 nan 8.210 nan 0.000 0.501 247 A N 0.628 123.259 122.820 -0.315 0.000 2.066 247 A HA -0.031 4.289 4.320 0.000 0.000 0.218 247 A C 1.739 179.307 177.584 -0.027 0.000 1.157 247 A CA 1.549 53.572 52.037 -0.023 0.000 0.670 247 A CB -0.555 18.502 19.000 0.094 0.000 0.804 247 A HN 0.407 nan 8.150 nan 0.000 0.453 248 D N -0.841 119.418 120.400 -0.235 0.000 2.312 248 D HA -0.014 4.626 4.640 0.000 0.000 0.211 248 D C 0.836 177.133 176.300 -0.004 0.000 0.964 248 D CA 1.073 55.006 54.000 -0.111 0.000 0.877 248 D CB -0.066 40.679 40.800 -0.092 0.000 0.924 248 D HN 0.749 nan 8.370 nan 0.000 0.515 249 F N -1.592 118.408 119.950 0.084 0.000 2.825 249 F HA 0.366 4.893 4.527 0.000 0.000 0.322 249 F C -0.099 175.771 175.800 0.116 0.000 1.127 249 F CA -0.631 57.414 58.000 0.075 0.000 1.164 249 F CB 0.495 39.524 39.000 0.048 0.000 1.101 249 F HN -0.335 nan 8.300 nan 0.000 0.529 250 I N 3.525 124.269 120.570 0.289 0.000 2.354 250 I HA 0.371 4.541 4.170 0.000 0.000 0.286 250 I C -2.586 173.771 176.117 0.400 0.000 1.007 250 I CA -2.074 59.459 61.300 0.387 0.000 1.167 250 I CB 1.209 39.433 38.000 0.373 0.000 1.320 250 I HN -0.148 nan 8.210 nan 0.000 0.458 251 P HA 0.178 nan 4.420 nan 0.000 0.270 251 P C -0.926 176.572 177.300 0.330 0.000 1.242 251 P CA 0.365 63.571 63.100 0.176 0.000 0.768 251 P CB -0.026 31.726 31.700 0.088 0.000 0.820 252 F N 0.433 120.466 119.950 0.138 0.000 2.601 252 F HA 0.510 5.037 4.527 0.000 0.000 0.309 252 F C 0.809 176.641 175.800 0.053 0.000 1.089 252 F CA -0.990 57.091 58.000 0.136 0.000 0.940 252 F CB 1.007 40.089 39.000 0.136 0.000 1.273 252 F HN 0.002 nan 8.300 nan 0.000 0.450 253 Q N 0.778 120.648 119.800 0.116 0.000 1.984 253 Q HA -0.024 4.316 4.340 0.000 0.000 0.196 253 Q C -0.259 175.805 176.000 0.108 0.000 0.975 253 Q CA 1.669 57.472 55.803 0.000 0.000 0.827 253 Q CB -0.218 28.483 28.738 -0.061 0.000 0.894 253 Q HN 0.837 nan 8.270 nan 0.000 0.438 254 H N -1.183 117.894 119.070 0.012 0.000 2.569 254 H HA 0.495 5.051 4.556 0.000 0.000 0.357 254 H C -1.027 174.480 175.328 0.297 0.000 1.153 254 H CA -0.471 55.621 56.048 0.072 0.000 1.193 254 H CB 1.165 30.803 29.762 -0.206 0.000 1.602 254 H HN 0.053 nan 8.280 nan 0.000 0.523 255 M N 5.560 125.101 119.600 -0.099 0.000 2.364 255 M HA 0.471 4.952 4.480 0.000 0.000 0.334 255 M C -1.611 174.606 176.300 -0.139 0.000 1.107 255 M CA -0.588 54.645 55.300 -0.112 0.000 0.988 255 M CB 0.867 33.395 32.600 -0.120 0.000 1.673 255 M HN 0.541 nan 8.290 nan 0.000 0.441 256 I N 4.805 125.355 120.570 -0.034 0.000 2.354 256 I HA 0.306 4.476 4.170 0.000 0.000 0.292 256 I C -1.505 174.502 176.117 -0.184 0.000 0.989 256 I CA -0.798 60.465 61.300 -0.062 0.000 1.188 256 I CB 1.355 39.365 38.000 0.018 0.000 1.342 256 I HN 0.667 nan 8.210 nan 0.000 0.457 257 Y N 5.239 125.259 120.300 -0.466 0.000 2.341 257 Y HA 0.340 4.890 4.550 0.000 0.000 0.338 257 Y C 0.796 176.465 175.900 -0.385 0.000 0.965 257 Y CA -0.598 57.166 58.100 -0.559 0.000 1.108 257 Y CB 1.776 39.663 38.460 -0.955 0.000 1.180 257 Y HN 0.634 nan 8.280 nan 0.000 0.458 258 T N 1.158 115.222 114.554 -0.817 0.000 3.145 258 T HA 0.399 4.749 4.350 0.000 0.000 0.281 258 T C 0.714 175.015 174.700 -0.665 0.000 1.003 258 T CA 0.132 61.915 62.100 -0.529 0.000 0.901 258 T CB -0.352 68.352 68.868 -0.274 0.000 1.112 258 T HN 0.760 nan 8.240 nan 0.000 0.535 259 G N 2.296 110.256 108.800 -1.400 0.000 2.553 259 G HA2 0.544 4.505 3.960 0.000 0.000 0.278 259 G HA3 0.544 4.505 3.960 0.000 0.000 0.278 259 G C -2.800 171.970 174.900 -0.217 0.000 1.349 259 G CA -1.598 43.012 45.100 -0.816 0.000 1.037 259 G HN 0.205 nan 8.290 nan 0.000 0.508 260 P HA 0.139 nan 4.420 nan 0.000 0.271 260 P C 1.173 178.712 177.300 0.397 0.000 1.220 260 P CA -0.415 62.795 63.100 0.183 0.000 0.768 260 P CB 1.130 32.857 31.700 0.045 0.000 0.848 261 V N 2.744 122.905 119.914 0.413 0.000 2.261 261 V HA -0.260 3.860 4.120 0.000 0.000 0.246 261 V C 2.083 178.194 176.094 0.029 0.000 1.047 261 V CA 2.290 64.792 62.300 0.336 0.000 1.015 261 V CB -1.542 30.498 31.823 0.363 0.000 0.642 261 V HN 0.520 nan 8.190 nan 0.000 0.446 262 D N 2.548 122.783 120.400 -0.275 0.000 2.133 262 D HA -0.272 4.368 4.640 0.000 0.000 0.192 262 D C 2.029 178.030 176.300 -0.499 0.000 1.001 262 D CA 2.269 55.867 54.000 -0.670 0.000 0.844 262 D CB -0.630 40.002 40.800 -0.279 0.000 0.944 262 D HN 0.502 nan 8.370 nan 0.000 0.447 263 A N -0.062 122.467 122.820 -0.485 0.000 1.972 263 A HA -0.069 4.251 4.320 0.000 0.000 0.219 263 A C 2.182 179.492 177.584 -0.457 0.000 1.169 263 A CA 1.228 52.760 52.037 -0.841 0.000 0.635 263 A CB -1.253 17.577 19.000 -0.283 0.000 0.810 263 A HN 0.317 nan 8.150 nan 0.000 0.446 264 F N -0.800 118.895 119.950 -0.425 0.000 2.234 264 F HA -0.029 4.498 4.527 0.000 0.000 0.299 264 F C 0.950 176.363 175.800 -0.645 0.000 1.087 264 F CA 1.130 58.755 58.000 -0.625 0.000 1.340 264 F CB -0.027 38.360 39.000 -1.022 0.000 1.031 264 F HN 0.182 nan 8.300 nan 0.000 0.500 265 F N 1.048 121.035 119.950 0.063 0.000 2.798 265 F HA 0.169 4.696 4.527 0.000 0.000 0.291 265 F C 0.410 176.161 175.800 -0.081 0.000 1.174 265 F CA -0.465 57.560 58.000 0.041 0.000 1.392 265 F CB -0.565 38.543 39.000 0.180 0.000 0.966 265 F HN -0.099 nan 8.300 nan 0.000 0.509 266 D N -0.238 120.073 120.400 -0.148 0.000 2.931 266 D HA -0.304 4.336 4.640 0.000 0.000 0.228 266 D C 0.316 176.643 176.300 0.044 0.000 1.180 266 D CA 1.247 55.161 54.000 -0.143 0.000 0.784 266 D CB -1.499 39.286 40.800 -0.025 0.000 1.093 266 D HN 0.456 nan 8.370 nan 0.000 0.421 267 F N -3.444 116.624 119.950 0.196 0.000 2.884 267 F HA -0.379 4.148 4.527 0.000 0.000 0.294 267 F C 2.388 178.334 175.800 0.244 0.000 0.723 267 F CA 0.503 58.648 58.000 0.242 0.000 1.294 267 F CB -2.683 36.411 39.000 0.156 0.000 1.551 267 F HN 0.406 nan 8.300 nan 0.000 0.363 268 C N -1.654 117.799 119.300 0.254 0.000 2.398 268 C HA -0.235 4.225 4.460 0.000 0.000 0.279 268 C C 2.171 177.202 174.990 0.067 0.000 1.250 268 C CA 1.530 60.573 59.018 0.042 0.000 1.786 268 C CB -1.396 26.222 27.740 -0.203 0.000 2.018 268 C HN 0.508 nan 8.230 nan 0.000 0.494 269 Y N 2.763 123.118 120.300 0.093 0.000 2.468 269 Y HA 0.469 5.019 4.550 0.000 0.000 0.268 269 Y C 1.570 177.543 175.900 0.121 0.000 1.177 269 Y CA -0.095 57.969 58.100 -0.059 0.000 1.265 269 Y CB -0.915 37.262 38.460 -0.471 0.000 1.103 269 Y HN 0.781 nan 8.280 nan 0.000 0.522 270 G N 0.512 109.548 108.800 0.394 0.000 2.663 270 G HA2 -0.176 3.784 3.960 0.000 0.000 0.686 270 G HA3 -0.176 3.784 3.960 0.000 0.000 0.686 270 G C -0.949 174.205 174.900 0.424 0.000 1.288 270 G CA -1.180 44.114 45.100 0.324 0.000 0.836 270 G HN 0.136 nan 8.290 nan 0.000 0.584 271 K N 0.069 120.620 120.400 0.252 0.000 2.416 271 K HA 0.438 4.758 4.320 0.000 0.000 0.283 271 K C 0.756 177.507 176.600 0.252 0.000 1.037 271 K CA -0.287 56.142 56.287 0.237 0.000 0.995 271 K CB 0.355 32.885 32.500 0.050 0.000 0.938 271 K HN 0.535 nan 8.250 nan 0.000 0.475 272 L N 8.094 129.474 121.223 0.262 0.000 2.361 272 L HA 0.256 4.596 4.340 0.000 0.000 0.278 272 L C -1.979 174.947 176.870 0.093 0.000 1.113 272 L CA -2.079 52.811 54.840 0.083 0.000 0.849 272 L CB 0.876 42.861 42.059 -0.124 0.000 1.155 272 L HN 0.634 nan 8.230 nan 0.000 0.452 273 P HA 0.155 nan 4.420 nan 0.000 0.276 273 P C -1.473 175.903 177.300 0.125 0.000 1.264 273 P CA 0.216 63.407 63.100 0.151 0.000 0.769 273 P CB 0.227 32.016 31.700 0.149 0.000 0.840 274 Y N 1.656 122.104 120.300 0.247 0.000 2.487 274 Y HA 0.608 5.158 4.550 0.000 0.000 0.337 274 Y C 1.053 177.062 175.900 0.181 0.000 1.076 274 Y CA -0.981 57.252 58.100 0.222 0.000 1.115 274 Y CB 1.469 40.027 38.460 0.164 0.000 1.235 274 Y HN 0.175 nan 8.280 nan 0.000 0.468 275 R N 0.694 121.424 120.500 0.383 0.000 2.457 275 R HA 0.598 4.938 4.340 0.000 0.000 0.284 275 R C -0.399 176.053 176.300 0.253 0.000 1.024 275 R CA -0.216 56.049 56.100 0.274 0.000 1.025 275 R CB 1.370 31.784 30.300 0.190 0.000 1.063 275 R HN 0.729 nan 8.270 nan 0.000 0.493 276 S N 2.217 118.009 115.700 0.154 0.000 2.798 276 S HA 0.766 5.236 4.470 0.000 0.000 0.312 276 S C -1.354 173.361 174.600 0.191 0.000 1.122 276 S CA -0.717 57.540 58.200 0.095 0.000 0.949 276 S CB 0.639 63.813 63.200 -0.042 0.000 1.235 276 S HN 0.416 nan 8.310 nan 0.000 0.552 277 L N 1.386 122.733 121.223 0.207 0.000 2.482 277 L HA 0.512 4.852 4.340 0.000 0.000 0.263 277 L C -0.837 175.898 176.870 -0.225 0.000 0.957 277 L CA -0.487 54.341 54.840 -0.021 0.000 0.836 277 L CB 2.189 44.155 42.059 -0.155 0.000 1.324 277 L HN 0.683 nan 8.230 nan 0.000 0.406 278 E N 2.084 122.127 120.200 -0.262 0.000 2.179 278 E HA 0.540 4.890 4.350 0.000 0.000 0.275 278 E C -1.727 174.686 176.600 -0.311 0.000 0.945 278 E CA -0.549 55.730 56.400 -0.201 0.000 0.792 278 E CB 1.316 30.988 29.700 -0.046 0.000 1.125 278 E HN 0.339 nan 8.360 nan 0.000 0.397 279 F N 3.018 123.094 119.950 0.210 0.000 2.444 279 F HA 0.399 4.926 4.527 0.000 0.000 0.342 279 F C 0.443 176.299 175.800 0.093 0.000 1.121 279 F CA -0.953 57.125 58.000 0.131 0.000 0.997 279 F CB 1.518 40.559 39.000 0.068 0.000 1.130 279 F HN 0.282 nan 8.300 nan 0.000 0.454 280 R N 3.835 124.507 120.500 0.286 0.000 2.246 280 R HA 0.291 4.631 4.340 0.000 0.000 0.332 280 R C -0.893 175.496 176.300 0.147 0.000 0.974 280 R CA -0.489 55.745 56.100 0.223 0.000 0.837 280 R CB 0.318 30.772 30.300 0.256 0.000 1.145 280 R HN 0.679 nan 8.270 nan 0.000 0.467 281 H N 3.053 122.257 119.070 0.224 0.000 2.502 281 H HA 0.267 4.823 4.556 0.000 0.000 0.327 281 H C -0.476 174.939 175.328 0.145 0.000 1.099 281 H CA -0.178 55.984 56.048 0.189 0.000 1.323 281 H CB 1.689 31.523 29.762 0.119 0.000 1.450 281 H HN 0.569 nan 8.280 nan 0.000 0.502 282 E N 1.146 121.501 120.200 0.258 0.000 2.340 282 E HA 0.306 4.656 4.350 0.000 0.000 0.273 282 E C -0.896 175.754 176.600 0.084 0.000 0.891 282 E CA -0.803 55.676 56.400 0.131 0.000 0.757 282 E CB 2.442 32.234 29.700 0.153 0.000 1.231 282 E HN 0.415 nan 8.360 nan 0.000 0.439 283 T N 1.910 116.424 114.554 -0.065 0.000 2.807 283 T HA 0.373 4.723 4.350 0.000 0.000 0.279 283 T C -0.880 173.703 174.700 -0.194 0.000 0.993 283 T CA -0.681 61.386 62.100 -0.055 0.000 0.970 283 T CB 0.619 69.456 68.868 -0.052 0.000 0.950 283 T HN 0.288 nan 8.240 nan 0.000 0.441 284 H N 1.552 120.628 119.070 0.011 0.000 2.572 284 H HA 0.238 4.794 4.556 0.000 0.000 0.359 284 H C -0.624 174.713 175.328 0.016 0.000 1.134 284 H CA -0.709 55.352 56.048 0.021 0.000 1.187 284 H CB 2.007 31.786 29.762 0.028 0.000 1.597 284 H HN 0.498 nan 8.280 nan 0.000 0.524 285 D N 1.987 122.471 120.400 0.139 0.000 2.688 285 D HA 0.098 4.738 4.640 0.000 0.000 0.228 285 D C -0.321 176.045 176.300 0.110 0.000 1.116 285 D CA 0.409 54.474 54.000 0.107 0.000 1.023 285 D CB -0.197 40.657 40.800 0.089 0.000 1.100 285 D HN 0.509 nan 8.370 nan 0.000 0.487 286 T N -0.549 114.068 114.554 0.106 0.000 2.830 286 T HA 0.170 4.520 4.350 0.000 0.000 0.322 286 T C 0.579 175.319 174.700 0.067 0.000 1.501 286 T CA -0.507 61.641 62.100 0.080 0.000 1.036 286 T CB 1.232 70.136 68.868 0.061 0.000 1.379 286 T HN 0.034 nan 8.240 nan 0.000 0.493 287 E N 0.462 120.693 120.200 0.053 0.000 2.230 287 E HA 0.111 4.461 4.350 0.000 0.000 0.192 287 E C 0.446 177.050 176.600 0.007 0.000 0.987 287 E CA 0.365 56.790 56.400 0.041 0.000 0.841 287 E CB 0.359 30.082 29.700 0.039 0.000 0.783 287 E HN 0.456 nan 8.360 nan 0.000 0.481 288 Q N 0.336 120.139 119.800 0.005 0.000 2.280 288 Q HA 0.160 4.500 4.340 0.000 0.000 0.259 288 Q C -0.667 175.333 176.000 0.001 0.000 0.964 288 Q CA -0.186 55.615 55.803 -0.004 0.000 0.844 288 Q CB 1.641 30.373 28.738 -0.010 0.000 1.334 288 Q HN 0.123 nan 8.270 nan 0.000 0.423 289 L N 4.221 125.438 121.223 -0.010 0.000 2.470 289 L HA 0.416 4.756 4.340 0.000 0.000 0.219 289 L C -0.803 176.041 176.870 -0.043 0.000 1.071 289 L CA 0.857 55.654 54.840 -0.072 0.000 0.850 289 L CB 0.733 42.686 42.059 -0.177 0.000 1.040 289 L HN 0.547 nan 8.230 nan 0.000 0.475 290 L N -0.361 120.873 121.223 0.018 0.000 2.354 290 L HA 0.448 4.788 4.340 0.000 0.000 0.264 290 L C -1.689 175.188 176.870 0.012 0.000 1.008 290 L CA -1.676 53.145 54.840 -0.031 0.000 0.819 290 L CB 1.437 43.411 42.059 -0.141 0.000 1.339 290 L HN -0.288 nan 8.230 nan 0.000 0.420 291 P HA -0.024 nan 4.420 nan 0.000 0.229 291 P C 0.254 177.477 177.300 -0.128 0.000 1.160 291 P CA 0.871 63.943 63.100 -0.046 0.000 0.777 291 P CB 0.240 31.904 31.700 -0.060 0.000 0.814 292 T N -5.649 108.690 114.554 -0.359 0.000 2.654 292 T HA 0.547 4.897 4.350 0.000 0.000 0.289 292 T C 1.395 175.479 174.700 -1.027 0.000 1.062 292 T CA -0.072 61.677 62.100 -0.585 0.000 1.041 292 T CB 0.722 69.364 68.868 -0.377 0.000 1.417 292 T HN -0.117 nan 8.240 nan 0.000 0.510 293 G N 0.027 108.387 108.800 -0.733 0.000 2.403 293 G HA2 0.298 4.258 3.960 0.000 0.000 0.216 293 G HA3 0.298 4.258 3.960 0.000 0.000 0.216 293 G C 0.305 175.040 174.900 -0.274 0.000 1.154 293 G CA 0.724 45.574 45.100 -0.417 0.000 0.784 293 G HN 0.838 nan 8.290 nan 0.000 0.538 294 T N -0.294 114.070 114.554 -0.316 0.000 2.886 294 T HA 0.507 4.857 4.350 0.000 0.000 0.292 294 T C -1.056 173.479 174.700 -0.274 0.000 1.012 294 T CA -0.421 61.543 62.100 -0.227 0.000 0.982 294 T CB 2.753 71.577 68.868 -0.074 0.000 1.018 294 T HN -0.084 nan 8.240 nan 0.000 0.451 295 V N 4.012 123.768 119.914 -0.264 0.000 2.384 295 V HA 0.442 4.562 4.120 0.000 0.000 0.287 295 V C -0.145 175.735 176.094 -0.355 0.000 1.020 295 V CA -1.004 61.098 62.300 -0.330 0.000 0.850 295 V CB 1.426 33.031 31.823 -0.363 0.000 0.987 295 V HN 0.723 nan 8.190 nan 0.000 0.436 296 N N 3.035 121.538 118.700 -0.329 0.000 2.479 296 N HA 0.434 5.174 4.740 0.000 0.000 0.285 296 N C -1.104 174.241 175.510 -0.274 0.000 1.075 296 N CA -0.176 52.783 53.050 -0.152 0.000 0.967 296 N CB 0.927 39.342 38.487 -0.120 0.000 1.137 296 N HN 0.574 nan 8.380 nan 0.000 0.472 297 Y N 2.300 122.730 120.300 0.217 0.000 2.842 297 Y HA 0.305 4.855 4.550 0.000 0.000 0.334 297 Y C -1.483 174.515 175.900 0.163 0.000 1.019 297 Y CA -1.705 56.494 58.100 0.165 0.000 1.258 297 Y CB 1.540 40.126 38.460 0.211 0.000 1.106 297 Y HN 0.554 nan 8.280 nan 0.000 0.545 298 P HA -0.097 nan 4.420 nan 0.000 0.216 298 P C 0.563 177.905 177.300 0.071 0.000 1.153 298 P CA 1.545 64.769 63.100 0.207 0.000 0.848 298 P CB 0.524 32.225 31.700 0.002 0.000 0.787 299 N N -1.527 117.188 118.700 0.025 0.000 2.171 299 N HA 0.087 4.827 4.740 0.000 0.000 0.212 299 N C -0.349 175.117 175.510 -0.073 0.000 1.184 299 N CA 0.354 53.383 53.050 -0.037 0.000 0.888 299 N CB 0.680 39.123 38.487 -0.074 0.000 1.038 299 N HN 0.168 nan 8.380 nan 0.000 0.517 300 D N -0.008 120.358 120.400 -0.057 0.000 2.645 300 D HA 0.369 5.009 4.640 0.000 0.000 0.228 300 D C -0.468 175.658 176.300 -0.289 0.000 1.148 300 D CA -0.179 53.663 54.000 -0.263 0.000 0.860 300 D CB 1.927 42.519 40.800 -0.347 0.000 1.548 300 D HN -0.174 nan 8.370 nan 0.000 0.460 301 Y N -0.686 119.403 120.300 -0.351 0.000 2.507 301 Y HA -0.204 4.346 4.550 0.000 0.000 0.021 301 Y C 1.033 176.610 175.900 -0.539 0.000 1.703 301 Y CA -0.046 57.677 58.100 -0.629 0.000 1.418 301 Y CB -1.065 36.600 38.460 -1.323 0.000 2.064 301 Y HN 0.492 nan 8.280 nan 0.000 0.254 302 A N 0.891 123.506 122.820 -0.341 0.000 1.898 302 A HA 0.075 4.396 4.320 0.000 0.000 0.214 302 A C 0.415 177.851 177.584 -0.248 0.000 1.183 302 A CA 1.408 53.358 52.037 -0.146 0.000 0.622 302 A CB -0.663 18.420 19.000 0.138 0.000 0.824 302 A HN 0.710 nan 8.150 nan 0.000 0.444 303 Y N -0.805 119.260 120.300 -0.391 0.000 2.379 303 Y HA 0.415 4.965 4.550 0.000 0.000 0.337 303 Y C 1.466 177.242 175.900 -0.207 0.000 1.238 303 Y CA -0.154 57.593 58.100 -0.588 0.000 1.405 303 Y CB -0.196 37.775 38.460 -0.816 0.000 1.310 303 Y HN 0.053 nan 8.280 nan 0.000 0.569 304 T N -1.074 113.478 114.554 -0.003 0.000 3.067 304 T HA 0.234 4.584 4.350 0.000 0.000 0.257 304 T C 0.138 175.000 174.700 0.269 0.000 1.105 304 T CA 0.150 62.232 62.100 -0.030 0.000 1.104 304 T CB -0.264 68.383 68.868 -0.369 0.000 0.925 304 T HN 0.849 nan 8.240 nan 0.000 0.498 305 R N -0.230 120.457 120.500 0.311 0.000 2.728 305 R HA 0.580 4.920 4.340 0.000 0.000 0.259 305 R C -2.115 174.201 176.300 0.026 0.000 1.057 305 R CA -1.083 55.166 56.100 0.247 0.000 0.908 305 R CB 1.118 31.497 30.300 0.133 0.000 1.259 305 R HN 0.036 nan 8.270 nan 0.000 0.472 306 V N 0.188 120.035 119.914 -0.112 0.000 2.581 306 V HA 0.726 4.846 4.120 0.000 0.000 0.303 306 V C -0.155 175.713 176.094 -0.376 0.000 1.041 306 V CA -0.847 61.153 62.300 -0.500 0.000 0.907 306 V CB 1.774 33.135 31.823 -0.770 0.000 0.994 306 V HN 0.835 nan 8.190 nan 0.000 0.442 307 S N 1.913 117.345 115.700 -0.447 0.000 2.542 307 S HA 0.558 5.028 4.470 0.000 0.000 0.293 307 S C -0.731 173.556 174.600 -0.521 0.000 1.089 307 S CA -0.699 57.240 58.200 -0.436 0.000 0.961 307 S CB 2.021 64.950 63.200 -0.452 0.000 1.062 307 S HN 0.893 nan 8.310 nan 0.000 0.483 308 E N 1.274 121.253 120.200 -0.369 0.000 2.114 308 E HA 0.350 4.700 4.350 0.000 0.000 0.266 308 E C -0.324 176.155 176.600 -0.202 0.000 0.896 308 E CA -0.440 55.832 56.400 -0.214 0.000 0.750 308 E CB 0.430 30.170 29.700 0.068 0.000 1.121 308 E HN 0.584 nan 8.360 nan 0.000 0.413 309 F N 3.256 123.163 119.950 -0.072 0.000 2.134 309 F HA -0.166 4.361 4.527 0.000 0.000 0.299 309 F C 1.995 177.709 175.800 -0.143 0.000 1.097 309 F CA 1.078 58.982 58.000 -0.160 0.000 1.264 309 F CB -0.030 38.825 39.000 -0.242 0.000 1.001 309 F HN 0.454 nan 8.300 nan 0.000 0.479 310 K N -0.622 119.800 120.400 0.036 0.000 2.211 310 K HA -0.203 4.117 4.320 0.000 0.000 0.204 310 K C 1.769 178.295 176.600 -0.123 0.000 1.047 310 K CA 1.265 57.517 56.287 -0.057 0.000 0.935 310 K CB -0.422 32.027 32.500 -0.085 0.000 0.728 310 K HN 0.409 nan 8.250 nan 0.000 0.452 311 H N 0.174 119.193 119.070 -0.085 0.000 2.421 311 H HA -0.056 4.500 4.556 0.000 0.000 0.298 311 H C 2.029 177.165 175.328 -0.321 0.000 1.087 311 H CA 1.334 57.330 56.048 -0.086 0.000 1.330 311 H CB 0.110 29.865 29.762 -0.012 0.000 1.388 311 H HN 0.202 nan 8.280 nan 0.000 0.526 312 I N 0.048 120.467 120.570 -0.251 0.000 2.628 312 I HA -0.129 4.041 4.170 0.000 0.000 0.255 312 I C 2.464 178.306 176.117 -0.458 0.000 1.119 312 I CA 1.267 62.197 61.300 -0.618 0.000 1.448 312 I CB 0.040 37.955 38.000 -0.141 0.000 1.133 312 I HN 0.191 nan 8.210 nan 0.000 0.438 313 T N -2.298 112.135 114.554 -0.203 0.000 3.057 313 T HA 0.227 4.577 4.350 0.000 0.000 0.254 313 T C 1.694 176.333 174.700 -0.102 0.000 1.094 313 T CA 0.529 62.558 62.100 -0.119 0.000 1.088 313 T CB 0.335 69.155 68.868 -0.080 0.000 0.934 313 T HN 0.465 nan 8.240 nan 0.000 0.497 314 G N 1.303 110.034 108.800 -0.115 0.000 2.155 314 G HA2 -0.320 3.640 3.960 0.000 0.000 0.257 314 G HA3 -0.320 3.640 3.960 0.000 0.000 0.257 314 G C -0.100 174.786 174.900 -0.024 0.000 0.983 314 G CA 0.391 45.454 45.100 -0.060 0.000 0.676 314 G HN 0.922 nan 8.290 nan 0.000 0.528 315 Q N -0.113 119.677 119.800 -0.016 0.000 2.395 315 Q HA 0.391 4.731 4.340 0.000 0.000 0.271 315 Q C 0.579 176.609 176.000 0.050 0.000 1.026 315 Q CA -0.235 55.590 55.803 0.036 0.000 0.900 315 Q CB 0.388 29.158 28.738 0.055 0.000 1.266 315 Q HN 0.509 nan 8.270 nan 0.000 0.430 316 R N 2.480 123.031 120.500 0.084 0.000 2.460 316 R HA 0.337 4.677 4.340 0.000 0.000 0.303 316 R C -1.390 175.011 176.300 0.170 0.000 0.968 316 R CA -0.375 55.780 56.100 0.091 0.000 0.889 316 R CB 0.947 31.283 30.300 0.060 0.000 1.123 316 R HN 0.744 nan 8.270 nan 0.000 0.455 317 H N 2.537 121.639 119.070 0.052 0.000 3.081 317 H HA 0.049 4.605 4.556 0.000 0.000 0.322 317 H C 0.146 175.517 175.328 0.071 0.000 1.266 317 H CA -0.461 55.631 56.048 0.074 0.000 1.279 317 H CB 0.985 30.739 29.762 -0.013 0.000 1.954 317 H HN 0.921 nan 8.280 nan 0.000 0.530 318 H N 1.722 120.821 119.070 0.048 0.000 2.357 318 H HA 0.024 4.580 4.556 0.000 0.000 0.301 318 H C 0.090 175.549 175.328 0.218 0.000 1.082 318 H CA 0.571 56.677 56.048 0.097 0.000 1.342 318 H CB 0.412 30.173 29.762 -0.002 0.000 1.389 318 H HN 0.470 nan 8.280 nan 0.000 0.511 319 Q N 0.319 120.165 119.800 0.077 0.000 2.364 319 Q HA 0.508 4.848 4.340 0.000 0.000 0.204 319 Q C -0.459 175.517 176.000 -0.039 0.000 1.002 319 Q CA -0.688 55.123 55.803 0.014 0.000 1.012 319 Q CB 1.536 30.227 28.738 -0.079 0.000 1.188 319 Q HN 0.154 nan 8.270 nan 0.000 0.522 320 T N -0.284 114.243 114.554 -0.046 0.000 2.956 320 T HA 0.378 4.728 4.350 0.000 0.000 0.312 320 T C -1.476 173.234 174.700 0.016 0.000 1.151 320 T CA -0.425 61.650 62.100 -0.042 0.000 1.024 320 T CB 1.606 70.481 68.868 0.013 0.000 1.140 320 T HN 0.431 nan 8.240 nan 0.000 0.473 321 S N 2.256 117.970 115.700 0.023 0.000 2.454 321 S HA 0.750 5.220 4.470 0.000 0.000 0.306 321 S C -0.142 174.591 174.600 0.221 0.000 1.100 321 S CA -0.656 57.620 58.200 0.128 0.000 1.087 321 S CB 1.152 64.408 63.200 0.092 0.000 1.019 321 S HN 0.802 nan 8.310 nan 0.000 0.480 322 V N 1.244 121.273 119.914 0.191 0.000 3.046 322 V HA 0.948 5.068 4.120 0.000 0.000 0.316 322 V C -0.506 175.618 176.094 0.049 0.000 1.104 322 V CA -0.821 61.483 62.300 0.006 0.000 1.006 322 V CB 1.749 33.509 31.823 -0.106 0.000 1.058 322 V HN 0.568 nan 8.190 nan 0.000 0.440 323 V N 2.503 122.297 119.914 -0.200 0.000 2.686 323 V HA 0.624 4.744 4.120 0.000 0.000 0.306 323 V C -1.607 174.315 176.094 -0.287 0.000 1.065 323 V CA -0.440 61.764 62.300 -0.159 0.000 0.894 323 V CB 1.846 33.582 31.823 -0.145 0.000 1.004 323 V HN 0.861 nan 8.190 nan 0.000 0.424 324 Y N 4.088 124.319 120.300 -0.116 0.000 2.326 324 Y HA 0.531 5.081 4.550 0.000 0.000 0.337 324 Y C 0.598 176.501 175.900 0.004 0.000 1.023 324 Y CA -0.261 57.718 58.100 -0.201 0.000 1.143 324 Y CB 1.286 39.512 38.460 -0.390 0.000 1.183 324 Y HN 0.605 nan 8.280 nan 0.000 0.485 325 E N 3.269 123.524 120.200 0.092 0.000 2.146 325 E HA 0.251 4.601 4.350 0.000 0.000 0.282 325 E C -1.577 175.011 176.600 -0.021 0.000 0.989 325 E CA -0.598 55.877 56.400 0.124 0.000 0.799 325 E CB 0.767 30.570 29.700 0.171 0.000 1.088 325 E HN 0.456 nan 8.360 nan 0.000 0.397 326 Y N 3.129 123.428 120.300 -0.001 0.000 2.331 326 Y HA 0.280 4.830 4.550 0.000 0.000 0.338 326 Y C -2.143 173.717 175.900 -0.068 0.000 0.976 326 Y CA -3.094 55.007 58.100 0.001 0.000 1.137 326 Y CB 0.890 39.360 38.460 0.017 0.000 1.172 326 Y HN 0.419 nan 8.280 nan 0.000 0.478 327 P HA 0.114 nan 4.420 nan 0.000 0.265 327 P C -0.422 176.895 177.300 0.028 0.000 1.193 327 P CA 0.124 63.217 63.100 -0.013 0.000 0.765 327 P CB 0.665 32.316 31.700 -0.081 0.000 0.823 328 R N 1.951 122.466 120.500 0.025 0.000 2.651 328 R HA 0.527 4.867 4.340 0.000 0.000 0.278 328 R C 0.446 176.771 176.300 0.042 0.000 1.010 328 R CA -0.862 55.256 56.100 0.031 0.000 0.896 328 R CB 1.879 32.192 30.300 0.020 0.000 1.211 328 R HN 0.378 nan 8.270 nan 0.000 0.456 329 A N 1.180 124.027 122.820 0.045 0.000 2.081 329 A HA 0.044 4.364 4.320 0.000 0.000 0.214 329 A C 0.456 178.072 177.584 0.055 0.000 1.158 329 A CA 0.860 52.936 52.037 0.064 0.000 0.724 329 A CB 0.176 19.214 19.000 0.063 0.000 0.826 329 A HN 0.566 nan 8.150 nan 0.000 0.463 330 E N -1.386 118.833 120.200 0.031 0.000 2.191 330 E HA 0.554 4.904 4.350 0.000 0.000 0.274 330 E C 0.079 176.675 176.600 -0.006 0.000 0.948 330 E CA 0.685 57.094 56.400 0.016 0.000 0.802 330 E CB 1.559 31.265 29.700 0.010 0.000 1.137 330 E HN 0.639 nan 8.360 nan 0.000 0.397 331 G N 2.592 111.375 108.800 -0.029 0.000 2.359 331 G HA2 -0.033 3.927 3.960 0.000 0.000 0.303 331 G HA3 -0.033 3.927 3.960 0.000 0.000 0.303 331 G C -1.386 173.417 174.900 -0.162 0.000 1.293 331 G CA -0.984 44.074 45.100 -0.071 0.000 0.964 331 G HN 0.508 nan 8.290 nan 0.000 0.531 332 D N 2.044 122.290 120.400 -0.257 0.000 2.506 332 D HA 0.336 4.976 4.640 0.000 0.000 0.234 332 D C -1.716 174.183 176.300 -0.669 0.000 1.143 332 D CA 0.135 53.886 54.000 -0.416 0.000 0.871 332 D CB 0.871 41.411 40.800 -0.434 0.000 1.190 332 D HN 0.257 nan 8.370 nan 0.000 0.459 333 P HA 0.065 nan 4.420 nan 0.000 0.276 333 P C -0.424 176.638 177.300 -0.395 0.000 1.235 333 P CA 0.262 63.108 63.100 -0.424 0.000 0.772 333 P CB 0.507 31.794 31.700 -0.689 0.000 0.871 334 Y N 1.018 121.268 120.300 -0.083 0.000 2.784 334 Y HA 0.191 4.741 4.550 0.000 0.000 0.267 334 Y C 0.481 176.176 175.900 -0.340 0.000 1.117 334 Y CA -0.296 57.654 58.100 -0.249 0.000 1.231 334 Y CB 0.446 38.694 38.460 -0.353 0.000 1.441 334 Y HN 0.184 nan 8.280 nan 0.000 0.469 335 Y N 1.590 122.010 120.300 0.199 0.000 2.377 335 Y HA 0.436 4.986 4.550 0.000 0.000 0.339 335 Y C -2.641 173.351 175.900 0.153 0.000 1.011 335 Y CA -3.101 55.026 58.100 0.045 0.000 1.093 335 Y CB 1.108 39.496 38.460 -0.120 0.000 1.201 335 Y HN -0.193 nan 8.280 nan 0.000 0.455 336 P HA 0.187 nan 4.420 nan 0.000 0.281 336 P C -0.973 176.277 177.300 -0.084 0.000 1.249 336 P CA -0.521 62.335 63.100 -0.407 0.000 0.810 336 P CB 1.151 32.175 31.700 -1.126 0.000 1.008 337 V N 3.770 123.662 119.914 -0.037 0.000 2.270 337 V HA 0.234 4.354 4.120 0.000 0.000 0.263 337 V C -2.191 173.875 176.094 -0.047 0.000 1.066 337 V CA -1.761 60.559 62.300 0.033 0.000 0.857 337 V CB 0.473 32.391 31.823 0.159 0.000 1.099 337 V HN 0.496 nan 8.190 nan 0.000 0.476 338 P HA 0.359 nan 4.420 nan 0.000 0.270 338 P C -0.299 176.962 177.300 -0.065 0.000 1.242 338 P CA 0.024 63.085 63.100 -0.065 0.000 0.768 338 P CB 0.340 32.002 31.700 -0.063 0.000 0.820 339 R N 2.410 122.915 120.500 0.008 0.000 2.825 339 R HA 0.295 4.635 4.340 0.000 0.000 0.274 339 R C -2.948 173.374 176.300 0.037 0.000 1.026 339 R CA -1.628 54.474 56.100 0.002 0.000 0.867 339 R CB -0.314 29.977 30.300 -0.016 0.000 1.268 339 R HN -0.037 nan 8.270 nan 0.000 0.491 340 P HA -0.265 nan 4.420 nan 0.000 0.215 340 P C 0.890 178.211 177.300 0.036 0.000 1.157 340 P CA 2.034 65.151 63.100 0.029 0.000 0.874 340 P CB 0.064 31.772 31.700 0.014 0.000 0.790 341 E N -0.983 119.236 120.200 0.032 0.000 2.204 341 E HA -0.195 4.155 4.350 0.000 0.000 0.195 341 E C 1.429 178.058 176.600 0.050 0.000 0.990 341 E CA 1.095 57.515 56.400 0.032 0.000 0.821 341 E CB -0.793 28.925 29.700 0.030 0.000 0.750 341 E HN 0.199 nan 8.360 nan 0.000 0.477 342 N N 1.150 119.894 118.700 0.074 0.000 2.336 342 N HA 0.047 4.787 4.740 0.000 0.000 0.177 342 N C 1.778 177.364 175.510 0.126 0.000 1.018 342 N CA 1.328 54.439 53.050 0.102 0.000 0.878 342 N CB -0.228 38.354 38.487 0.159 0.000 0.997 342 N HN 0.312 nan 8.380 nan 0.000 0.433 343 A N 0.776 123.683 122.820 0.145 0.000 2.019 343 A HA -0.105 4.215 4.320 0.000 0.000 0.219 343 A C 2.104 179.771 177.584 0.138 0.000 1.164 343 A CA 1.315 53.463 52.037 0.185 0.000 0.644 343 A CB -0.238 18.849 19.000 0.144 0.000 0.805 343 A HN 0.108 nan 8.150 nan 0.000 0.449 344 E N -0.356 119.886 120.200 0.069 0.000 2.076 344 E HA 0.008 4.358 4.350 0.000 0.000 0.190 344 E C 1.889 178.479 176.600 -0.017 0.000 0.979 344 E CA 0.408 56.815 56.400 0.011 0.000 0.807 344 E CB -0.299 29.395 29.700 -0.010 0.000 0.761 344 E HN 0.521 nan 8.360 nan 0.000 0.454 345 L N -0.064 121.170 121.223 0.018 0.000 2.083 345 L HA -0.206 4.134 4.340 0.000 0.000 0.209 345 L C 2.110 179.041 176.870 0.101 0.000 1.083 345 L CA 1.507 56.366 54.840 0.031 0.000 0.752 345 L CB -0.246 41.866 42.059 0.089 0.000 0.899 345 L HN 0.312 nan 8.230 nan 0.000 0.433 346 Y N 0.719 121.006 120.300 -0.022 0.000 2.314 346 Y HA -0.201 4.349 4.550 0.000 0.000 0.293 346 Y C 2.463 178.390 175.900 0.044 0.000 1.129 346 Y CA 1.363 59.456 58.100 -0.012 0.000 1.201 346 Y CB -0.127 38.236 38.460 -0.162 0.000 0.999 346 Y HN 0.032 nan 8.280 nan 0.000 0.541 347 K N 0.373 120.652 120.400 -0.202 0.000 2.097 347 K HA -0.184 4.136 4.320 0.000 0.000 0.206 347 K C 2.029 178.451 176.600 -0.297 0.000 1.049 347 K CA 1.726 57.839 56.287 -0.289 0.000 0.933 347 K CB -0.091 32.328 32.500 -0.134 0.000 0.717 347 K HN 0.340 nan 8.250 nan 0.000 0.442 348 K N -0.176 120.067 120.400 -0.261 0.000 2.063 348 K HA -0.177 4.143 4.320 0.000 0.000 0.208 348 K C 2.084 178.612 176.600 -0.120 0.000 1.048 348 K CA 1.653 57.750 56.287 -0.317 0.000 0.928 348 K CB -0.188 31.889 32.500 -0.706 0.000 0.713 348 K HN 0.241 nan 8.250 nan 0.000 0.442 349 Y N 1.016 121.280 120.300 -0.060 0.000 2.286 349 Y HA -0.136 4.414 4.550 0.000 0.000 0.293 349 Y C 2.562 178.254 175.900 -0.347 0.000 1.124 349 Y CA 0.931 58.957 58.100 -0.124 0.000 1.178 349 Y CB 0.042 38.533 38.460 0.051 0.000 1.010 349 Y HN 0.178 nan 8.280 nan 0.000 0.536 350 E N 0.597 120.518 120.200 -0.465 0.000 2.130 350 E HA -0.281 4.069 4.350 0.000 0.000 0.196 350 E C 2.271 178.683 176.600 -0.313 0.000 0.998 350 E CA 1.162 57.245 56.400 -0.528 0.000 0.806 350 E CB -0.163 29.065 29.700 -0.787 0.000 0.738 350 E HN 0.444 nan 8.360 nan 0.000 0.459 351 A N 0.928 123.587 122.820 -0.269 0.000 1.877 351 A HA -0.167 4.153 4.320 0.000 0.000 0.216 351 A C 2.209 179.655 177.584 -0.231 0.000 1.186 351 A CA 1.381 53.297 52.037 -0.203 0.000 0.620 351 A CB -0.717 18.183 19.000 -0.168 0.000 0.822 351 A HN 0.327 nan 8.150 nan 0.000 0.443 352 L N -0.876 120.133 121.223 -0.357 0.000 2.083 352 L HA -0.186 4.154 4.340 0.000 0.000 0.209 352 L C 3.052 179.694 176.870 -0.380 0.000 1.083 352 L CA 1.006 55.515 54.840 -0.552 0.000 0.752 352 L CB -0.519 40.775 42.059 -1.275 0.000 0.899 352 L HN 0.452 nan 8.230 nan 0.000 0.433 353 A N -0.329 122.275 122.820 -0.359 0.000 1.897 353 A HA -0.196 4.124 4.320 0.000 0.000 0.215 353 A C 1.926 179.386 177.584 -0.207 0.000 1.181 353 A CA 1.624 53.401 52.037 -0.433 0.000 0.620 353 A CB -0.455 17.835 19.000 -1.184 0.000 0.821 353 A HN 0.309 nan 8.150 nan 0.000 0.443 354 D N 0.177 120.480 120.400 -0.162 0.000 2.221 354 D HA -0.074 4.566 4.640 0.000 0.000 0.204 354 D C 2.013 178.313 176.300 -0.000 0.000 0.982 354 D CA 1.368 55.338 54.000 -0.049 0.000 0.857 354 D CB -0.192 40.575 40.800 -0.056 0.000 0.934 354 D HN 0.457 nan 8.370 nan 0.000 0.475 355 A N 0.675 123.485 122.820 -0.017 0.000 2.021 355 A HA 0.275 4.595 4.320 0.000 0.000 0.216 355 A C 1.422 179.062 177.584 0.094 0.000 1.163 355 A CA 0.645 52.696 52.037 0.024 0.000 0.676 355 A CB -0.272 18.722 19.000 -0.010 0.000 0.818 355 A HN 0.180 nan 8.150 nan 0.000 0.453 356 A N 0.403 123.316 122.820 0.155 0.000 2.545 356 A HA 0.244 4.564 4.320 0.000 0.000 0.253 356 A C 1.155 178.863 177.584 0.206 0.000 1.074 356 A CA -0.070 52.118 52.037 0.253 0.000 0.760 356 A CB 0.141 19.388 19.000 0.412 0.000 1.005 356 A HN 0.479 nan 8.150 nan 0.000 0.506 357 Q N 1.363 121.268 119.800 0.175 0.000 1.969 357 Q HA -0.074 4.266 4.340 0.000 0.000 0.198 357 Q C -0.024 176.083 176.000 0.179 0.000 0.978 357 Q CA 1.404 57.297 55.803 0.150 0.000 0.830 357 Q CB 0.058 28.865 28.738 0.116 0.000 0.896 357 Q HN 0.821 nan 8.270 nan 0.000 0.431 358 D N 0.607 121.088 120.400 0.136 0.000 3.035 358 D HA 0.217 4.857 4.640 0.000 0.000 0.290 358 D C -0.886 175.241 176.300 -0.288 0.000 1.360 358 D CA 0.060 54.100 54.000 0.067 0.000 0.862 358 D CB 0.965 41.837 40.800 0.120 0.000 1.078 358 D HN -0.105 nan 8.370 nan 0.000 0.487 359 V N 0.758 120.607 119.914 -0.108 0.000 2.525 359 V HA 0.289 4.409 4.120 0.000 0.000 0.299 359 V C 0.237 176.367 176.094 0.059 0.000 1.034 359 V CA -0.635 61.563 62.300 -0.170 0.000 0.863 359 V CB 2.146 33.910 31.823 -0.098 0.000 0.999 359 V HN 0.003 nan 8.190 nan 0.000 0.423 360 T N 5.145 119.722 114.554 0.037 0.000 2.767 360 T HA 0.631 4.981 4.350 0.000 0.000 0.284 360 T C -0.621 174.141 174.700 0.104 0.000 0.973 360 T CA -0.102 62.147 62.100 0.249 0.000 0.996 360 T CB 0.595 69.665 68.868 0.336 0.000 0.927 360 T HN 0.288 nan 8.240 nan 0.000 0.456 361 F N 2.712 122.705 119.950 0.071 0.000 2.391 361 F HA 0.562 5.089 4.527 0.000 0.000 0.359 361 F C 0.264 176.129 175.800 0.109 0.000 1.122 361 F CA -0.911 57.136 58.000 0.077 0.000 1.120 361 F CB 1.093 40.144 39.000 0.085 0.000 1.142 361 F HN 0.232 nan 8.300 nan 0.000 0.483 362 V N 3.515 123.537 119.914 0.179 0.000 2.709 362 V HA 0.975 5.095 4.120 0.000 0.000 0.308 362 V C -0.370 175.799 176.094 0.124 0.000 1.062 362 V CA 0.159 62.558 62.300 0.166 0.000 0.901 362 V CB 1.319 33.221 31.823 0.131 0.000 1.003 362 V HN 1.034 nan 8.190 nan 0.000 0.425 363 G N 5.319 114.222 108.800 0.172 0.000 2.347 363 G HA2 -0.003 3.958 3.960 0.000 0.000 0.477 363 G HA3 -0.003 3.958 3.960 0.000 0.000 0.477 363 G C 0.017 175.010 174.900 0.156 0.000 1.349 363 G CA 0.043 45.237 45.100 0.158 0.000 1.000 363 G HN 1.384 nan 8.290 nan 0.000 0.605 364 R N -0.399 120.196 120.500 0.158 0.000 2.092 364 R HA 0.114 4.454 4.340 0.000 0.000 0.231 364 R C 1.862 178.231 176.300 0.114 0.000 1.119 364 R CA 2.120 58.294 56.100 0.122 0.000 0.970 364 R CB -0.326 30.077 30.300 0.171 0.000 0.864 364 R HN 0.485 nan 8.270 nan 0.000 0.440 365 L N 0.237 121.526 121.223 0.110 0.000 2.145 365 L HA 0.176 4.516 4.340 0.000 0.000 0.201 365 L C 2.853 179.883 176.870 0.265 0.000 1.075 365 L CA 0.800 55.736 54.840 0.159 0.000 0.773 365 L CB -0.571 41.464 42.059 -0.040 0.000 0.936 365 L HN 0.295 nan 8.230 nan 0.000 0.451 366 A N 0.324 123.259 122.820 0.192 0.000 1.908 366 A HA -0.214 4.106 4.320 0.000 0.000 0.218 366 A C 2.189 180.021 177.584 0.413 0.000 1.181 366 A CA 2.437 54.681 52.037 0.343 0.000 0.627 366 A CB -0.853 18.299 19.000 0.254 0.000 0.818 366 A HN 0.508 nan 8.150 nan 0.000 0.445 367 T N -7.493 107.221 114.554 0.267 0.000 3.129 367 T HA 0.231 4.581 4.350 0.000 0.000 0.267 367 T C 0.342 175.002 174.700 -0.066 0.000 1.018 367 T CA 0.280 62.502 62.100 0.202 0.000 0.903 367 T CB -0.308 68.659 68.868 0.164 0.000 1.067 367 T HN 0.687 nan 8.240 nan 0.000 0.549 368 Y N 1.912 122.105 120.300 -0.179 0.000 3.305 368 Y HA -0.262 4.288 4.550 0.000 0.000 0.212 368 Y C -0.069 175.651 175.900 -0.299 0.000 1.248 368 Y CA 0.006 57.924 58.100 -0.304 0.000 1.359 368 Y CB -1.823 36.167 38.460 -0.784 0.000 1.407 368 Y HN 0.455 nan 8.280 nan 0.000 0.572 369 R N 0.242 120.573 120.500 -0.283 0.000 2.711 369 R HA 0.343 4.683 4.340 0.000 0.000 0.284 369 R C -0.640 175.568 176.300 -0.154 0.000 0.968 369 R CA -0.837 55.038 56.100 -0.375 0.000 0.924 369 R CB 1.116 30.888 30.300 -0.880 0.000 1.162 369 R HN 0.396 nan 8.270 nan 0.000 0.465 370 Y N 3.607 123.828 120.300 -0.133 0.000 2.636 370 Y HA 0.153 4.703 4.550 0.000 0.000 0.334 370 Y C -0.909 175.140 175.900 0.248 0.000 1.286 370 Y CA -0.638 57.525 58.100 0.104 0.000 1.688 370 Y CB 0.173 38.727 38.460 0.158 0.000 1.662 370 Y HN 0.420 nan 8.280 nan 0.000 0.465 371 Y N 2.418 122.910 120.300 0.320 0.000 2.323 371 Y HA 0.186 4.736 4.550 0.000 0.000 0.331 371 Y C 0.273 176.274 175.900 0.170 0.000 1.092 371 Y CA -1.652 56.558 58.100 0.184 0.000 1.150 371 Y CB 0.641 39.178 38.460 0.127 0.000 1.200 371 Y HN 0.508 nan 8.280 nan 0.000 0.472 372 N N 2.945 121.762 118.700 0.195 0.000 2.424 372 N HA 0.120 4.860 4.740 0.000 0.000 0.257 372 N C 1.345 176.820 175.510 -0.058 0.000 1.250 372 N CA -0.114 52.961 53.050 0.042 0.000 0.946 372 N CB 0.607 39.004 38.487 -0.150 0.000 1.175 372 N HN 0.683 nan 8.380 nan 0.000 0.477 373 M N 0.437 119.979 119.600 -0.097 0.000 2.088 373 M HA -0.257 4.223 4.480 0.000 0.000 0.256 373 M C 1.458 177.570 176.300 -0.313 0.000 1.071 373 M CA 1.816 56.967 55.300 -0.249 0.000 1.097 373 M CB -0.345 32.145 32.600 -0.183 0.000 1.315 373 M HN 0.598 nan 8.290 nan 0.000 0.406 374 D N -0.396 119.822 120.400 -0.304 0.000 2.178 374 D HA -0.200 4.440 4.640 0.000 0.000 0.202 374 D C 1.665 177.837 176.300 -0.213 0.000 0.974 374 D CA 1.406 55.282 54.000 -0.206 0.000 0.841 374 D CB -0.634 39.936 40.800 -0.384 0.000 0.953 374 D HN 0.528 nan 8.370 nan 0.000 0.478 375 Q N 0.208 119.830 119.800 -0.296 0.000 2.119 375 Q HA -0.034 4.306 4.340 0.000 0.000 0.201 375 Q C 2.578 178.314 176.000 -0.439 0.000 0.972 375 Q CA 0.946 56.483 55.803 -0.444 0.000 0.847 375 Q CB 0.135 28.495 28.738 -0.630 0.000 0.903 375 Q HN 0.199 nan 8.270 nan 0.000 0.433 376 V N 0.328 120.119 119.914 -0.206 0.000 2.515 376 V HA -0.180 3.940 4.120 0.000 0.000 0.250 376 V C 2.120 178.228 176.094 0.023 0.000 1.058 376 V CA 1.143 63.450 62.300 0.011 0.000 1.064 376 V CB -0.199 31.720 31.823 0.159 0.000 0.675 376 V HN 0.178 nan 8.190 nan 0.000 0.461 377 V N 0.283 120.180 119.914 -0.028 0.000 2.548 377 V HA -0.167 3.953 4.120 0.000 0.000 0.249 377 V C 2.612 178.702 176.094 -0.006 0.000 1.055 377 V CA 1.779 64.107 62.300 0.047 0.000 1.065 377 V CB -0.896 30.985 31.823 0.097 0.000 0.681 377 V HN 0.551 nan 8.190 nan 0.000 0.462 378 A N -1.026 121.762 122.820 -0.054 0.000 1.929 378 A HA -0.220 4.100 4.320 0.000 0.000 0.216 378 A C 2.231 179.797 177.584 -0.030 0.000 1.176 378 A CA 1.569 53.571 52.037 -0.059 0.000 0.628 378 A CB -0.453 18.492 19.000 -0.091 0.000 0.816 378 A HN 0.528 nan 8.150 nan 0.000 0.444 379 Q N -0.547 119.238 119.800 -0.024 0.000 2.096 379 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 379 Q C 2.265 178.314 176.000 0.082 0.000 0.982 379 Q CA 1.642 57.485 55.803 0.066 0.000 0.850 379 Q CB -0.280 28.560 28.738 0.170 0.000 0.901 379 Q HN 0.654 nan 8.270 nan 0.000 0.422 380 A N 0.432 123.292 122.820 0.067 0.000 1.872 380 A HA -0.124 4.196 4.320 0.000 0.000 0.214 380 A C 2.027 179.640 177.584 0.048 0.000 1.187 380 A CA 0.893 52.969 52.037 0.066 0.000 0.614 380 A CB -0.667 18.373 19.000 0.067 0.000 0.826 380 A HN 0.393 nan 8.150 nan 0.000 0.442 381 L N -0.648 120.566 121.223 -0.015 0.000 2.079 381 L HA -0.235 4.106 4.340 0.000 0.000 0.210 381 L C 3.063 179.980 176.870 0.079 0.000 1.081 381 L CA 1.154 55.982 54.840 -0.019 0.000 0.752 381 L CB -0.539 41.439 42.059 -0.135 0.000 0.896 381 L HN 0.461 nan 8.230 nan 0.000 0.433 382 A N -0.742 122.108 122.820 0.051 0.000 1.930 382 A HA -0.163 4.157 4.320 0.000 0.000 0.217 382 A C 2.353 179.977 177.584 0.066 0.000 1.175 382 A CA 2.093 54.161 52.037 0.052 0.000 0.627 382 A CB -0.750 18.278 19.000 0.047 0.000 0.815 382 A HN 0.351 nan 8.150 nan 0.000 0.443 383 T N -0.630 113.981 114.554 0.095 0.000 2.746 383 T HA -0.121 4.229 4.350 0.000 0.000 0.267 383 T C 1.597 176.363 174.700 0.109 0.000 1.039 383 T CA 1.553 63.716 62.100 0.105 0.000 1.142 383 T CB -0.402 68.540 68.868 0.123 0.000 0.866 383 T HN 0.494 nan 8.240 nan 0.000 0.444 384 F N 2.469 122.405 119.950 -0.023 0.000 2.091 384 F HA -0.130 4.397 4.527 0.000 0.000 0.299 384 F C 2.322 178.110 175.800 -0.019 0.000 1.103 384 F CA 1.336 59.312 58.000 -0.042 0.000 1.228 384 F CB -0.342 38.619 39.000 -0.065 0.000 0.984 384 F HN -0.036 nan 8.300 nan 0.000 0.477 385 R N -0.102 120.271 120.500 -0.210 0.000 2.091 385 R HA -0.155 4.185 4.340 0.000 0.000 0.238 385 R C 2.494 178.672 176.300 -0.204 0.000 1.136 385 R CA 1.674 57.606 56.100 -0.280 0.000 0.959 385 R CB -0.424 29.817 30.300 -0.098 0.000 0.856 385 R HN 0.297 nan 8.270 nan 0.000 0.437 386 R N 0.260 120.703 120.500 -0.095 0.000 2.082 386 R HA -0.127 4.213 4.340 0.000 0.000 0.234 386 R C 2.059 178.316 176.300 -0.072 0.000 1.136 386 R CA 1.254 57.324 56.100 -0.050 0.000 0.935 386 R CB -0.481 29.825 30.300 0.010 0.000 0.842 386 R HN 0.077 nan 8.270 nan 0.000 0.430 387 L N 1.269 122.454 121.223 -0.063 0.000 2.450 387 L HA -0.191 4.149 4.340 0.000 0.000 0.225 387 L C 1.806 178.620 176.870 -0.093 0.000 1.145 387 L CA 1.654 56.469 54.840 -0.041 0.000 0.801 387 L CB -0.423 41.655 42.059 0.031 0.000 0.924 387 L HN 0.246 nan 8.230 nan 0.000 0.447 388 Q N -1.452 118.217 119.800 -0.219 0.000 2.246 388 Q HA 0.417 4.757 4.340 0.000 0.000 0.222 388 Q C 0.843 176.757 176.000 -0.144 0.000 0.851 388 Q CA 0.678 56.344 55.803 -0.228 0.000 0.945 388 Q CB 1.500 29.951 28.738 -0.479 0.000 1.122 388 Q HN 0.389 nan 8.270 nan 0.000 0.508 389 G N 0.000 108.730 108.800 -0.116 0.000 5.446 389 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 389 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 389 G CA 0.000 45.056 45.100 -0.073 0.000 0.502 389 G HN 0.000 nan 8.290 nan 0.000 0.925