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 3hdy_1_I DATA FIRST_RESID 29 DATA SEQUENCE GFDYLIVGAG FAGSVLAERL ASSGQRVLIV DRRPHIGGNA YDCYDDAGVL DATA SEQUENCE IHPYGPHIFH TNSKDVFEYL SRFTEWRPYQ HRVLASVDGQ LLPIPINLDT DATA SEQUENCE VNRLYGLNLT SFQVEEFFAS VAEKVEQVRT SEDVVVSKVG RDLYNKFFRG DATA SEQUENCE YTRKQWGLDP SELDASVTAR VPTRTNRDNR YFADTYQAMP LHGYTRMFQN DATA SEQUENCE MLSSPNIKVM LNTDYREIAD FIPFQHMIYT GPVDAFFDFC YGKLPYRSLE DATA SEQUENCE FRHETHDTEQ LLPTGTVNYP NDYAYTRVSE FKHITGQRHH QTSVVYEYPR DATA SEQUENCE AEGDPYYPVP RPENAELYKK YEALADAAQD VTFVGRLATY RYYNMDQVVA DATA SEQUENCE QALATFRRLQ G 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 29 G HA2 0.000 nan 3.960 nan 0.000 0.244 29 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 29 G C 0.000 174.644 174.900 -0.427 0.000 0.946 29 G CA 0.000 44.990 45.100 -0.184 0.000 0.502 30 F N -0.057 119.968 119.950 0.125 0.000 2.593 30 F HA 0.512 5.039 4.527 -0.000 0.000 0.320 30 F C 0.540 176.412 175.800 0.119 0.000 1.060 30 F CA -0.763 57.316 58.000 0.131 0.000 0.940 30 F CB 2.155 41.246 39.000 0.152 0.000 1.268 30 F HN 0.317 nan 8.300 nan 0.000 0.475 31 D N -0.194 120.382 120.400 0.294 0.000 2.213 31 D HA -0.033 4.607 4.640 -0.000 0.000 0.205 31 D C -0.596 175.671 176.300 -0.055 0.000 0.961 31 D CA 1.639 55.699 54.000 0.101 0.000 0.853 31 D CB 0.052 40.930 40.800 0.131 0.000 0.967 31 D HN 0.292 nan 8.370 nan 0.000 0.496 32 Y N -0.455 120.011 120.300 0.276 0.000 2.457 32 Y HA 0.382 4.932 4.550 -0.000 0.000 0.343 32 Y C -0.846 175.080 175.900 0.043 0.000 0.994 32 Y CA -1.270 56.947 58.100 0.195 0.000 1.031 32 Y CB 2.073 40.622 38.460 0.147 0.000 1.246 32 Y HN -0.277 nan 8.280 nan 0.000 0.449 33 L N 5.456 126.710 121.223 0.050 0.000 2.295 33 L HA 0.620 4.960 4.340 -0.000 0.000 0.281 33 L C -1.373 175.366 176.870 -0.218 0.000 1.018 33 L CA -0.414 54.250 54.840 -0.294 0.000 0.841 33 L CB 0.114 41.641 42.059 -0.888 0.000 1.218 33 L HN 0.517 nan 8.230 nan 0.000 0.424 34 I N 5.715 126.182 120.570 -0.171 0.000 2.315 34 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 34 I C -0.423 175.563 176.117 -0.219 0.000 1.006 34 I CA -0.807 60.394 61.300 -0.164 0.000 1.265 34 I CB 1.592 39.519 38.000 -0.122 0.000 1.387 34 I HN 0.258 nan 8.210 nan 0.000 0.475 35 V N 5.884 125.639 119.914 -0.265 0.000 2.334 35 V HA 0.703 4.823 4.120 -0.000 0.000 0.267 35 V C 0.496 176.384 176.094 -0.343 0.000 1.040 35 V CA -0.375 61.748 62.300 -0.295 0.000 0.866 35 V CB 0.407 32.009 31.823 -0.369 0.000 1.019 35 V HN 1.069 nan 8.190 nan 0.000 0.468 36 G N 4.058 112.698 108.800 -0.265 0.000 3.438 36 G HA2 0.287 4.247 3.960 -0.000 0.000 0.684 36 G HA3 0.287 4.247 3.960 -0.000 0.000 0.684 36 G C -0.118 174.649 174.900 -0.223 0.000 1.192 36 G CA -0.294 44.649 45.100 -0.262 0.000 1.013 36 G HN 1.289 nan 8.290 nan 0.000 0.530 37 A N 1.565 124.239 122.820 -0.244 0.000 2.577 37 A HA 0.742 5.062 4.320 -0.000 0.000 0.280 37 A C 1.537 178.911 177.584 -0.351 0.000 1.331 37 A CA 1.262 53.145 52.037 -0.256 0.000 0.935 37 A CB -0.203 18.637 19.000 -0.267 0.000 1.082 37 A HN 2.005 nan 8.150 nan 0.000 0.525 38 G N -1.159 107.477 108.800 -0.273 0.000 2.504 38 G HA2 0.382 4.342 3.960 -0.000 0.000 0.257 38 G HA3 0.382 4.342 3.960 -0.000 0.000 0.257 38 G C 0.618 175.504 174.900 -0.024 0.000 1.451 38 G CA -0.378 44.559 45.100 -0.271 0.000 1.059 38 G HN 0.158 nan 8.290 nan 0.000 0.550 39 F N 0.852 120.922 119.950 0.201 0.000 2.075 39 F HA -0.066 4.460 4.527 -0.000 0.000 0.297 39 F C 3.136 179.010 175.800 0.123 0.000 1.113 39 F CA 1.986 60.153 58.000 0.279 0.000 1.218 39 F CB -0.449 38.684 39.000 0.222 0.000 0.984 39 F HN 0.332 nan 8.300 nan 0.000 0.472 40 A N 0.282 123.257 122.820 0.260 0.000 1.873 40 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 40 A C 2.500 180.112 177.584 0.047 0.000 1.193 40 A CA 2.213 54.327 52.037 0.127 0.000 0.629 40 A CB -1.695 17.354 19.000 0.080 0.000 0.826 40 A HN 0.444 nan 8.150 nan 0.000 0.447 41 G N -1.699 107.097 108.800 -0.007 0.000 2.421 41 G HA2 0.015 3.975 3.960 -0.000 0.000 0.217 41 G HA3 0.015 3.975 3.960 -0.000 0.000 0.217 41 G C 1.730 176.599 174.900 -0.053 0.000 1.143 41 G CA 1.229 46.288 45.100 -0.068 0.000 0.784 41 G HN 0.509 nan 8.290 nan 0.000 0.541 42 S N -0.117 115.582 115.700 -0.001 0.000 2.406 42 S HA -0.006 4.464 4.470 -0.000 0.000 0.224 42 S C 2.474 177.056 174.600 -0.031 0.000 1.030 42 S CA 0.612 58.813 58.200 0.002 0.000 0.958 42 S CB 0.035 63.323 63.200 0.147 0.000 0.811 42 S HN 0.160 nan 8.310 nan 0.000 0.489 43 V N 2.365 122.295 119.914 0.027 0.000 2.295 43 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 43 V C 2.174 178.213 176.094 -0.092 0.000 1.049 43 V CA 1.570 63.881 62.300 0.018 0.000 1.024 43 V CB -0.652 31.209 31.823 0.063 0.000 0.648 43 V HN 0.407 nan 8.190 nan 0.000 0.447 44 L N -0.171 120.996 121.223 -0.092 0.000 2.093 44 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 44 L C 2.704 179.461 176.870 -0.187 0.000 1.085 44 L CA 1.385 56.135 54.840 -0.149 0.000 0.755 44 L CB -0.711 41.289 42.059 -0.097 0.000 0.904 44 L HN 0.358 nan 8.230 nan 0.000 0.435 45 A N -0.549 122.191 122.820 -0.134 0.000 1.940 45 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 45 A C 2.313 179.829 177.584 -0.114 0.000 1.176 45 A CA 1.765 53.734 52.037 -0.112 0.000 0.631 45 A CB -0.423 18.524 19.000 -0.087 0.000 0.814 45 A HN 0.397 nan 8.150 nan 0.000 0.446 46 E N 0.018 120.136 120.200 -0.137 0.000 2.046 46 E HA -0.173 4.177 4.350 -0.000 0.000 0.190 46 E C 2.248 178.759 176.600 -0.148 0.000 0.982 46 E CA 0.810 57.135 56.400 -0.124 0.000 0.800 46 E CB -0.241 29.360 29.700 -0.165 0.000 0.756 46 E HN 0.429 nan 8.360 nan 0.000 0.449 47 R N 0.305 120.605 120.500 -0.334 0.000 2.070 47 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 47 R C 2.529 178.511 176.300 -0.531 0.000 1.138 47 R CA 0.679 56.319 56.100 -0.766 0.000 0.936 47 R CB -1.176 28.013 30.300 -1.850 0.000 0.839 47 R HN 0.205 nan 8.270 nan 0.000 0.429 48 L N 0.842 121.872 121.223 -0.322 0.000 2.051 48 L HA -0.178 4.162 4.340 -0.000 0.000 0.214 48 L C 2.472 179.387 176.870 0.076 0.000 1.076 48 L CA 2.138 56.994 54.840 0.027 0.000 0.758 48 L CB -1.264 40.729 42.059 -0.110 0.000 0.890 48 L HN 0.221 nan 8.230 nan 0.000 0.433 49 A N -1.271 121.559 122.820 0.017 0.000 1.968 49 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 49 A C 2.415 180.036 177.584 0.062 0.000 1.169 49 A CA 1.460 53.533 52.037 0.058 0.000 0.638 49 A CB -0.665 18.358 19.000 0.039 0.000 0.812 49 A HN 0.544 nan 8.150 nan 0.000 0.446 50 S N 0.130 115.852 115.700 0.037 0.000 2.481 50 S HA -0.051 4.419 4.470 -0.000 0.000 0.231 50 S C 1.341 176.000 174.600 0.099 0.000 0.996 50 S CA 1.141 59.377 58.200 0.060 0.000 0.942 50 S CB -0.526 62.703 63.200 0.049 0.000 0.768 50 S HN 0.888 nan 8.310 nan 0.000 0.520 51 S N -0.479 115.303 115.700 0.137 0.000 2.526 51 S HA 0.620 5.090 4.470 -0.000 0.000 0.245 51 S C 1.226 175.916 174.600 0.151 0.000 1.103 51 S CA 0.065 58.371 58.200 0.176 0.000 1.095 51 S CB -0.277 63.097 63.200 0.290 0.000 0.826 51 S HN 1.268 nan 8.310 nan 0.000 0.468 52 G N 0.845 109.718 108.800 0.121 0.000 2.267 52 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.257 52 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.257 52 G C 0.081 175.059 174.900 0.130 0.000 0.998 52 G CA 0.062 45.228 45.100 0.110 0.000 0.620 52 G HN 0.593 nan 8.290 nan 0.000 0.529 53 Q N 0.643 120.546 119.800 0.173 0.000 2.364 53 Q HA 0.297 4.636 4.340 -0.000 0.000 0.267 53 Q C 0.578 176.703 176.000 0.209 0.000 0.999 53 Q CA 0.182 56.121 55.803 0.227 0.000 0.886 53 Q CB 0.526 29.469 28.738 0.342 0.000 1.243 53 Q HN 0.447 nan 8.270 nan 0.000 0.415 54 R N 1.474 122.109 120.500 0.225 0.000 2.196 54 R HA 0.352 4.691 4.340 -0.000 0.000 0.340 54 R C -0.793 175.745 176.300 0.397 0.000 1.043 54 R CA -0.326 55.924 56.100 0.249 0.000 0.883 54 R CB 0.640 31.033 30.300 0.154 0.000 1.078 54 R HN 0.291 nan 8.270 nan 0.000 0.462 55 V N 5.306 125.424 119.914 0.340 0.000 2.459 55 V HA 0.283 4.403 4.120 -0.000 0.000 0.295 55 V C -0.422 175.746 176.094 0.124 0.000 1.029 55 V CA -0.922 61.533 62.300 0.259 0.000 0.874 55 V CB 1.791 33.692 31.823 0.130 0.000 0.985 55 V HN 0.460 nan 8.190 nan 0.000 0.438 56 L N 6.813 127.911 121.223 -0.207 0.000 2.295 56 L HA 0.623 4.963 4.340 -0.000 0.000 0.281 56 L C -0.626 176.044 176.870 -0.333 0.000 1.018 56 L CA 0.024 54.517 54.840 -0.580 0.000 0.841 56 L CB 0.932 42.039 42.059 -1.586 0.000 1.218 56 L HN 0.668 nan 8.230 nan 0.000 0.424 57 I N 5.407 125.847 120.570 -0.216 0.000 2.336 57 I HA 0.578 4.748 4.170 -0.000 0.000 0.292 57 I C -1.150 174.857 176.117 -0.182 0.000 0.991 57 I CA -0.473 60.718 61.300 -0.181 0.000 1.227 57 I CB 1.599 39.517 38.000 -0.135 0.000 1.366 57 I HN 0.506 nan 8.210 nan 0.000 0.466 58 V N 7.230 127.032 119.914 -0.185 0.000 3.001 58 V HA 0.649 4.769 4.120 -0.000 0.000 0.314 58 V C -1.316 174.682 176.094 -0.159 0.000 1.099 58 V CA -0.265 61.939 62.300 -0.160 0.000 0.989 58 V CB 2.157 33.894 31.823 -0.144 0.000 1.040 58 V HN 0.831 nan 8.190 nan 0.000 0.434 59 D N 2.412 122.720 120.400 -0.153 0.000 2.837 59 D HA 0.310 4.950 4.640 -0.000 0.000 0.220 59 D C 0.515 176.722 176.300 -0.156 0.000 1.236 59 D CA -0.477 53.417 54.000 -0.177 0.000 0.838 59 D CB 2.210 42.862 40.800 -0.247 0.000 1.647 59 D HN 0.679 nan 8.370 nan 0.000 0.486 60 R N 1.975 122.393 120.500 -0.137 0.000 2.193 60 R HA 0.131 4.471 4.340 -0.000 0.000 0.213 60 R C 0.533 176.750 176.300 -0.138 0.000 1.055 60 R CA 0.136 56.171 56.100 -0.108 0.000 0.995 60 R CB 0.206 30.464 30.300 -0.070 0.000 0.893 60 R HN 0.091 nan 8.270 nan 0.000 0.459 61 R N 1.474 121.840 120.500 -0.225 0.000 2.582 61 R HA 0.118 4.458 4.340 -0.000 0.000 0.271 61 R C -1.825 174.286 176.300 -0.315 0.000 1.078 61 R CA -1.785 54.127 56.100 -0.313 0.000 1.127 61 R CB 0.476 30.420 30.300 -0.593 0.000 1.038 61 R HN -0.023 nan 8.270 nan 0.000 0.500 62 P HA -0.037 nan 4.420 nan 0.000 0.242 62 P C -0.988 176.213 177.300 -0.166 0.000 1.197 62 P CA 0.922 63.939 63.100 -0.138 0.000 0.765 62 P CB 0.093 31.769 31.700 -0.039 0.000 0.936 63 H N -2.294 116.598 119.070 -0.297 0.000 2.907 63 H HA 0.610 5.166 4.556 -0.000 0.000 0.361 63 H C 0.197 175.285 175.328 -0.399 0.000 1.194 63 H CA -1.478 54.303 56.048 -0.445 0.000 1.152 63 H CB 0.510 29.680 29.762 -0.987 0.000 1.867 63 H HN -0.200 nan 8.280 nan 0.000 0.561 64 I N -2.658 117.782 120.570 -0.216 0.000 3.514 64 I HA 0.706 4.876 4.170 -0.000 0.000 0.300 64 I C 1.205 177.143 176.117 -0.298 0.000 1.194 64 I CA -0.655 60.482 61.300 -0.272 0.000 0.968 64 I CB 0.873 38.748 38.000 -0.207 0.000 1.418 64 I HN 1.005 nan 8.210 nan 0.000 0.614 65 G N -0.114 108.227 108.800 -0.764 0.000 2.225 65 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.254 65 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.254 65 G C 1.010 175.469 174.900 -0.735 0.000 0.988 65 G CA 0.405 44.683 45.100 -1.372 0.000 0.625 65 G HN 2.118 nan 8.290 nan 0.000 0.527 66 G N 0.669 109.232 108.800 -0.394 0.000 2.622 66 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.307 66 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.307 66 G C 0.895 175.694 174.900 -0.168 0.000 1.226 66 G CA 1.128 46.073 45.100 -0.258 0.000 0.997 66 G HN 1.193 nan 8.290 nan 0.000 0.551 67 N N 1.186 119.771 118.700 -0.191 0.000 2.331 67 N HA 0.211 4.950 4.740 -0.000 0.000 0.180 67 N C 2.192 177.503 175.510 -0.333 0.000 1.019 67 N CA 1.739 54.653 53.050 -0.227 0.000 0.881 67 N CB -0.394 38.094 38.487 0.002 0.000 0.972 67 N HN 0.936 nan 8.380 nan 0.000 0.435 68 A N -0.635 122.006 122.820 -0.299 0.000 2.278 68 A HA 0.016 4.336 4.320 -0.000 0.000 0.212 68 A C 0.168 177.548 177.584 -0.341 0.000 1.213 68 A CA -0.408 51.293 52.037 -0.560 0.000 0.840 68 A CB -0.755 18.129 19.000 -0.192 0.000 0.866 68 A HN 0.333 nan 8.150 nan 0.000 0.489 69 Y N 2.629 122.763 120.300 -0.277 0.000 2.620 69 Y HA 0.305 4.855 4.550 -0.000 0.000 0.330 69 Y C -0.245 175.526 175.900 -0.214 0.000 1.186 69 Y CA -0.497 57.478 58.100 -0.208 0.000 1.467 69 Y CB 0.295 38.612 38.460 -0.238 0.000 1.262 69 Y HN 0.498 nan 8.280 nan 0.000 0.550 70 D N 4.757 124.690 120.400 -0.777 0.000 2.601 70 D HA 0.576 5.216 4.640 -0.000 0.000 0.230 70 D C -1.097 174.631 176.300 -0.954 0.000 1.106 70 D CA -0.626 52.932 54.000 -0.736 0.000 0.873 70 D CB 1.064 41.743 40.800 -0.202 0.000 1.515 70 D HN 0.731 nan 8.370 nan 0.000 0.468 71 C N -1.410 117.437 119.300 -0.755 0.000 3.311 71 C HA 0.683 5.143 4.460 -0.000 0.000 0.325 71 C C -1.260 173.466 174.990 -0.441 0.000 1.352 71 C CA -1.165 57.545 59.018 -0.512 0.000 1.308 71 C CB -0.056 27.424 27.740 -0.434 0.000 1.619 71 C HN 0.616 nan 8.230 nan 0.000 0.469 72 Y N 2.166 122.323 120.300 -0.239 0.000 2.316 72 Y HA 0.429 4.979 4.550 -0.000 0.000 0.331 72 Y C 1.095 176.880 175.900 -0.193 0.000 1.083 72 Y CA 0.575 58.555 58.100 -0.199 0.000 1.206 72 Y CB 0.754 39.139 38.460 -0.126 0.000 1.195 72 Y HN 0.841 nan 8.280 nan 0.000 0.497 73 D N 0.228 120.574 120.400 -0.090 0.000 2.447 73 D HA -0.004 4.636 4.640 -0.000 0.000 0.265 73 D C 0.356 176.636 176.300 -0.034 0.000 1.250 73 D CA -0.356 53.579 54.000 -0.108 0.000 1.046 73 D CB 0.501 41.200 40.800 -0.169 0.000 1.095 73 D HN 0.426 nan 8.370 nan 0.000 0.555 74 D N -0.607 119.770 120.400 -0.039 0.000 2.221 74 D HA -0.118 4.522 4.640 -0.000 0.000 0.204 74 D C 1.717 178.024 176.300 0.012 0.000 0.982 74 D CA 1.795 55.788 54.000 -0.011 0.000 0.857 74 D CB -0.434 40.358 40.800 -0.013 0.000 0.934 74 D HN 0.547 nan 8.370 nan 0.000 0.475 75 A N -0.358 122.460 122.820 -0.003 0.000 2.169 75 A HA 0.374 4.694 4.320 -0.000 0.000 0.212 75 A C 1.772 179.420 177.584 0.107 0.000 1.153 75 A CA 1.167 53.223 52.037 0.031 0.000 0.756 75 A CB -0.078 18.892 19.000 -0.050 0.000 0.813 75 A HN 0.267 nan 8.150 nan 0.000 0.471 76 G N -1.527 107.320 108.800 0.079 0.000 2.130 76 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 76 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 76 G C -0.050 174.983 174.900 0.222 0.000 0.999 76 G CA 0.022 45.238 45.100 0.193 0.000 0.686 76 G HN 0.803 nan 8.290 nan 0.000 0.515 77 V N 0.870 120.750 119.914 -0.057 0.000 2.472 77 V HA 0.675 4.794 4.120 -0.000 0.000 0.290 77 V C 0.666 176.572 176.094 -0.312 0.000 1.037 77 V CA -1.028 61.142 62.300 -0.217 0.000 0.908 77 V CB 1.759 33.360 31.823 -0.369 0.000 0.985 77 V HN 0.405 nan 8.190 nan 0.000 0.454 78 L N 6.959 127.891 121.223 -0.484 0.000 2.360 78 L HA 0.559 4.899 4.340 -0.000 0.000 0.276 78 L C -0.288 176.188 176.870 -0.656 0.000 1.121 78 L CA 0.599 54.978 54.840 -0.769 0.000 0.845 78 L CB 0.147 41.772 42.059 -0.723 0.000 1.143 78 L HN 0.666 nan 8.230 nan 0.000 0.452 79 I N 0.594 120.668 120.570 -0.827 0.000 3.074 79 I HA 0.500 4.670 4.170 -0.000 0.000 0.310 79 I C -1.172 174.279 176.117 -1.111 0.000 1.153 79 I CA -0.839 59.601 61.300 -1.433 0.000 0.993 79 I CB 2.218 39.490 38.000 -1.213 0.000 1.237 79 I HN 0.595 nan 8.210 nan 0.000 0.443 80 H N 2.838 121.053 119.070 -1.425 0.000 2.661 80 H HA 0.312 4.868 4.556 -0.000 0.000 0.290 80 H C -2.124 172.926 175.328 -0.464 0.000 1.082 80 H CA -1.960 53.737 56.048 -0.585 0.000 1.234 80 H CB 0.982 30.713 29.762 -0.052 0.000 1.387 80 H HN 0.435 nan 8.280 nan 0.000 0.476 81 P HA -0.188 nan 4.420 nan 0.000 0.221 81 P C -0.123 176.767 177.300 -0.684 0.000 1.145 81 P CA 1.405 64.154 63.100 -0.585 0.000 0.795 81 P CB 0.085 31.332 31.700 -0.754 0.000 0.775 82 Y N -1.274 118.762 120.300 -0.439 0.000 2.720 82 Y HA 0.499 5.048 4.550 -0.000 0.000 0.277 82 Y C 1.354 176.746 175.900 -0.846 0.000 1.144 82 Y CA -0.204 57.375 58.100 -0.868 0.000 1.221 82 Y CB 0.132 38.370 38.460 -0.370 0.000 1.163 82 Y HN -0.082 nan 8.280 nan 0.000 0.537 83 G N 0.677 109.219 108.800 -0.429 0.000 2.663 83 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 83 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 83 G C -3.152 172.091 174.900 0.572 0.000 1.288 83 G CA -1.637 43.559 45.100 0.161 0.000 0.836 83 G HN -0.060 nan 8.290 nan 0.000 0.584 84 P HA 0.288 nan 4.420 nan 0.000 0.262 84 P C -0.482 177.115 177.300 0.494 0.000 1.199 84 P CA 0.489 63.887 63.100 0.497 0.000 0.763 84 P CB 0.185 31.968 31.700 0.138 0.000 0.790 85 H N 3.093 122.479 119.070 0.528 0.000 2.736 85 H HA 0.397 4.953 4.556 -0.000 0.000 0.271 85 H C -0.338 175.249 175.328 0.431 0.000 1.184 85 H CA -0.402 55.786 56.048 0.235 0.000 1.378 85 H CB -0.192 29.466 29.762 -0.173 0.000 1.428 85 H HN 0.231 nan 8.280 nan 0.000 0.500 86 I N 2.993 123.818 120.570 0.424 0.000 2.315 86 I HA 0.104 4.274 4.170 -0.000 0.000 0.291 86 I C -0.113 176.343 176.117 0.565 0.000 1.006 86 I CA -0.455 61.155 61.300 0.516 0.000 1.265 86 I CB 0.241 38.446 38.000 0.341 0.000 1.387 86 I HN 0.372 nan 8.210 nan 0.000 0.475 87 F N 7.581 127.842 119.950 0.518 0.000 2.427 87 F HA 0.481 5.008 4.527 -0.000 0.000 0.352 87 F C 0.181 176.156 175.800 0.291 0.000 1.100 87 F CA 0.122 58.358 58.000 0.394 0.000 1.191 87 F CB 0.157 39.473 39.000 0.527 0.000 1.128 87 F HN 0.680 nan 8.300 nan 0.000 0.533 88 H N 1.435 119.983 119.070 -0.870 0.000 3.085 88 H HA 0.632 5.188 4.556 -0.000 0.000 0.356 88 H C -1.262 173.551 175.328 -0.859 0.000 1.178 88 H CA -1.002 54.616 56.048 -0.717 0.000 1.214 88 H CB 1.871 31.212 29.762 -0.701 0.000 1.881 88 H HN 0.616 nan 8.280 nan 0.000 0.538 89 T N 0.869 115.108 114.554 -0.524 0.000 2.830 89 T HA 0.244 4.594 4.350 -0.000 0.000 0.322 89 T C -0.655 174.015 174.700 -0.051 0.000 1.501 89 T CA -0.760 61.110 62.100 -0.384 0.000 1.036 89 T CB 1.435 70.078 68.868 -0.375 0.000 1.379 89 T HN 0.742 nan 8.240 nan 0.000 0.493 90 N N 0.909 119.592 118.700 -0.029 0.000 2.220 90 N HA 0.150 4.890 4.740 -0.000 0.000 0.195 90 N C 0.119 175.721 175.510 0.154 0.000 1.123 90 N CA 0.073 53.170 53.050 0.079 0.000 0.874 90 N CB 0.874 39.360 38.487 -0.003 0.000 0.995 90 N HN 0.481 nan 8.380 nan 0.000 0.498 91 S N 1.059 116.792 115.700 0.054 0.000 2.400 91 S HA 0.130 4.600 4.470 -0.000 0.000 0.295 91 S C 1.306 175.871 174.600 -0.059 0.000 1.113 91 S CA -0.477 57.735 58.200 0.020 0.000 1.064 91 S CB 0.795 63.982 63.200 -0.022 0.000 0.990 91 S HN 0.130 nan 8.310 nan 0.000 0.502 92 K N 3.741 124.148 120.400 0.011 0.000 2.103 92 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 92 K C 1.262 177.829 176.600 -0.055 0.000 1.048 92 K CA 2.154 58.385 56.287 -0.093 0.000 0.930 92 K CB -0.230 32.341 32.500 0.118 0.000 0.716 92 K HN 0.753 nan 8.250 nan 0.000 0.444 93 D N -0.422 119.982 120.400 0.006 0.000 2.097 93 D HA -0.135 4.505 4.640 -0.000 0.000 0.195 93 D C 1.823 178.164 176.300 0.068 0.000 0.989 93 D CA 1.186 55.208 54.000 0.036 0.000 0.827 93 D CB 0.199 41.016 40.800 0.028 0.000 0.966 93 D HN -0.001 nan 8.370 nan 0.000 0.456 94 V N 0.112 120.062 119.914 0.060 0.000 2.343 94 V HA -0.201 3.918 4.120 -0.000 0.000 0.247 94 V C 2.040 178.269 176.094 0.224 0.000 1.051 94 V CA 1.637 64.023 62.300 0.142 0.000 1.036 94 V CB -0.617 31.276 31.823 0.116 0.000 0.654 94 V HN 0.285 nan 8.190 nan 0.000 0.451 95 F N 0.909 120.807 119.950 -0.086 0.000 2.113 95 F HA -0.168 4.359 4.527 -0.000 0.000 0.297 95 F C 2.498 178.263 175.800 -0.058 0.000 1.103 95 F CA 1.965 59.862 58.000 -0.173 0.000 1.248 95 F CB -0.053 38.529 39.000 -0.697 0.000 0.999 95 F HN 0.158 nan 8.300 nan 0.000 0.475 96 E N -0.937 119.196 120.200 -0.111 0.000 2.204 96 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 96 E C 1.769 178.340 176.600 -0.048 0.000 0.990 96 E CA 1.289 57.621 56.400 -0.114 0.000 0.821 96 E CB -0.385 29.307 29.700 -0.012 0.000 0.750 96 E HN 0.620 nan 8.360 nan 0.000 0.477 97 Y N 1.144 121.414 120.300 -0.051 0.000 2.109 97 Y HA -0.222 4.328 4.550 -0.000 0.000 0.285 97 Y C 1.962 177.897 175.900 0.058 0.000 1.131 97 Y CA 1.151 59.261 58.100 0.016 0.000 1.121 97 Y CB -0.343 38.161 38.460 0.072 0.000 0.987 97 Y HN -0.055 nan 8.280 nan 0.000 0.495 98 L N 0.269 121.510 121.223 0.029 0.000 2.129 98 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 98 L C 2.485 179.290 176.870 -0.107 0.000 1.087 98 L CA 1.936 56.777 54.840 0.002 0.000 0.757 98 L CB -1.530 40.624 42.059 0.157 0.000 0.896 98 L HN 0.224 nan 8.230 nan 0.000 0.434 99 S N -0.814 114.811 115.700 -0.126 0.000 2.465 99 S HA -0.181 4.289 4.470 -0.000 0.000 0.241 99 S C 1.895 176.305 174.600 -0.316 0.000 1.000 99 S CA 0.851 58.972 58.200 -0.131 0.000 0.964 99 S CB -0.295 62.799 63.200 -0.177 0.000 0.763 99 S HN 0.468 nan 8.310 nan 0.000 0.512 100 R N -0.378 119.808 120.500 -0.523 0.000 2.236 100 R HA 0.089 4.429 4.340 -0.000 0.000 0.208 100 R C 0.529 176.217 176.300 -1.020 0.000 1.036 100 R CA 0.829 56.427 56.100 -0.836 0.000 1.001 100 R CB -0.095 29.500 30.300 -1.175 0.000 0.896 100 R HN 0.444 nan 8.270 nan 0.000 0.464 101 F N -1.265 118.472 119.950 -0.355 0.000 2.729 101 F HA 0.283 4.810 4.527 -0.000 0.000 0.315 101 F C 0.310 175.879 175.800 -0.386 0.000 1.102 101 F CA -0.328 57.466 58.000 -0.344 0.000 1.204 101 F CB 1.407 40.180 39.000 -0.378 0.000 1.052 101 F HN -0.251 nan 8.300 nan 0.000 0.551 102 T N -0.199 114.132 114.554 -0.371 0.000 3.003 102 T HA 0.211 4.561 4.350 -0.000 0.000 0.354 102 T C -1.006 173.251 174.700 -0.738 0.000 1.651 102 T CA -0.586 61.187 62.100 -0.545 0.000 1.103 102 T CB 1.262 69.702 68.868 -0.715 0.000 1.450 102 T HN 0.065 nan 8.240 nan 0.000 0.484 103 E N 1.338 121.180 120.200 -0.597 0.000 2.351 103 E HA 0.476 4.826 4.350 -0.000 0.000 0.255 103 E C -0.947 175.245 176.600 -0.680 0.000 1.188 103 E CA -0.448 55.656 56.400 -0.493 0.000 0.940 103 E CB 0.817 30.348 29.700 -0.282 0.000 1.094 103 E HN 0.499 nan 8.360 nan 0.000 0.474 104 W N 0.445 121.706 121.300 -0.064 0.000 2.785 104 W HA 0.357 5.017 4.660 -0.000 0.000 0.333 104 W C -0.239 176.301 176.519 0.035 0.000 1.062 104 W CA -0.763 56.594 57.345 0.020 0.000 1.233 104 W CB 1.172 30.738 29.460 0.176 0.000 1.413 104 W HN 0.156 nan 8.180 nan 0.000 0.489 105 R N 3.924 124.601 120.500 0.295 0.000 2.233 105 R HA 0.348 4.688 4.340 -0.000 0.000 0.334 105 R C -2.437 174.057 176.300 0.323 0.000 1.037 105 R CA -1.711 54.527 56.100 0.229 0.000 0.920 105 R CB 0.672 31.049 30.300 0.129 0.000 1.137 105 R HN 0.100 nan 8.270 nan 0.000 0.492 106 P HA -0.114 nan 4.420 nan 0.000 0.261 106 P C -1.598 175.904 177.300 0.336 0.000 1.173 106 P CA 0.642 63.898 63.100 0.260 0.000 0.760 106 P CB 0.083 31.888 31.700 0.175 0.000 0.783 107 Y N 1.952 122.353 120.300 0.169 0.000 2.333 107 Y HA 0.258 4.808 4.550 -0.000 0.000 0.319 107 Y C -1.447 174.568 175.900 0.192 0.000 1.200 107 Y CA -0.552 57.657 58.100 0.182 0.000 1.084 107 Y CB 1.485 40.082 38.460 0.227 0.000 1.268 107 Y HN 0.297 nan 8.280 nan 0.000 0.422 108 Q N 5.224 124.765 119.800 -0.431 0.000 2.425 108 Q HA 0.223 4.563 4.340 -0.000 0.000 0.254 108 Q C -1.109 174.512 176.000 -0.633 0.000 1.032 108 Q CA -0.924 54.647 55.803 -0.387 0.000 0.798 108 Q CB 1.078 29.723 28.738 -0.155 0.000 1.210 108 Q HN 0.696 nan 8.270 nan 0.000 0.491 109 H N 2.372 121.006 119.070 -0.726 0.000 2.972 109 H HA 0.110 4.666 4.556 -0.000 0.000 0.343 109 H C -0.617 174.536 175.328 -0.292 0.000 1.054 109 H CA 1.001 56.762 56.048 -0.478 0.000 1.412 109 H CB 0.493 30.172 29.762 -0.138 0.000 1.385 109 H HN 0.428 nan 8.280 nan 0.000 0.600 110 R N 2.948 123.029 120.500 -0.699 0.000 2.621 110 R HA 0.507 4.847 4.340 -0.000 0.000 0.284 110 R C -1.530 174.410 176.300 -0.600 0.000 0.998 110 R CA -1.013 54.797 56.100 -0.483 0.000 0.895 110 R CB 2.196 32.322 30.300 -0.289 0.000 1.195 110 R HN 0.325 nan 8.270 nan 0.000 0.450 111 V N 4.162 123.850 119.914 -0.376 0.000 2.604 111 V HA 0.446 4.566 4.120 -0.000 0.000 0.305 111 V C -0.750 175.232 176.094 -0.186 0.000 1.043 111 V CA -0.947 61.156 62.300 -0.328 0.000 0.888 111 V CB 2.001 33.611 31.823 -0.355 0.000 0.995 111 V HN 0.457 nan 8.190 nan 0.000 0.429 112 L N 3.420 124.528 121.223 -0.191 0.000 2.325 112 L HA 0.802 5.142 4.340 -0.000 0.000 0.278 112 L C 0.338 177.120 176.870 -0.146 0.000 1.023 112 L CA -0.360 54.396 54.840 -0.140 0.000 0.811 112 L CB 1.564 43.535 42.059 -0.146 0.000 1.249 112 L HN 0.808 nan 8.230 nan 0.000 0.431 113 A N 1.722 124.494 122.820 -0.079 0.000 2.287 113 A HA 0.479 4.798 4.320 -0.000 0.000 0.317 113 A C 0.100 177.586 177.584 -0.164 0.000 1.220 113 A CA -0.401 51.577 52.037 -0.098 0.000 0.835 113 A CB 0.868 19.913 19.000 0.074 0.000 1.180 113 A HN 0.640 nan 8.150 nan 0.000 0.500 114 S N 2.451 117.981 115.700 -0.284 0.000 2.423 114 S HA 0.427 4.897 4.470 -0.000 0.000 0.302 114 S C -0.445 174.053 174.600 -0.170 0.000 1.143 114 S CA -0.133 57.941 58.200 -0.211 0.000 1.080 114 S CB -0.834 62.226 63.200 -0.234 0.000 1.081 114 S HN 0.674 nan 8.310 nan 0.000 0.522 115 V N 5.015 124.815 119.914 -0.191 0.000 2.638 115 V HA 0.357 4.477 4.120 -0.000 0.000 0.306 115 V C -0.390 175.613 176.094 -0.152 0.000 1.052 115 V CA -0.881 61.261 62.300 -0.264 0.000 0.885 115 V CB 1.803 33.276 31.823 -0.584 0.000 0.999 115 V HN 0.828 nan 8.190 nan 0.000 0.424 116 D N 3.790 124.122 120.400 -0.114 0.000 2.701 116 D HA -0.172 4.468 4.640 -0.000 0.000 0.235 116 D C 1.312 177.591 176.300 -0.036 0.000 1.155 116 D CA 2.012 55.974 54.000 -0.063 0.000 0.649 116 D CB -1.057 39.707 40.800 -0.061 0.000 1.050 116 D HN 1.529 nan 8.370 nan 0.000 0.425 117 G N -0.861 107.927 108.800 -0.021 0.000 2.155 117 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.257 117 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.257 117 G C 0.253 175.151 174.900 -0.003 0.000 0.983 117 G CA 0.940 46.042 45.100 0.003 0.000 0.676 117 G HN 0.587 nan 8.290 nan 0.000 0.528 118 Q N -1.136 118.649 119.800 -0.025 0.000 2.495 118 Q HA 0.793 5.133 4.340 -0.000 0.000 0.283 118 Q C -0.339 175.636 176.000 -0.042 0.000 1.097 118 Q CA -1.101 54.686 55.803 -0.027 0.000 0.836 118 Q CB 1.719 30.439 28.738 -0.030 0.000 1.426 118 Q HN 0.227 nan 8.270 nan 0.000 0.459 119 L N 2.130 123.329 121.223 -0.041 0.000 2.318 119 L HA 0.413 4.753 4.340 -0.000 0.000 0.277 119 L C -1.304 175.545 176.870 -0.036 0.000 1.008 119 L CA -0.696 54.109 54.840 -0.059 0.000 0.846 119 L CB 0.702 42.718 42.059 -0.071 0.000 1.220 119 L HN 0.267 nan 8.230 nan 0.000 0.423 120 L N 4.910 126.131 121.223 -0.002 0.000 2.330 120 L HA 0.648 4.988 4.340 -0.000 0.000 0.271 120 L C -2.195 174.696 176.870 0.036 0.000 1.013 120 L CA -2.544 52.323 54.840 0.044 0.000 0.816 120 L CB 1.324 43.475 42.059 0.153 0.000 1.287 120 L HN 0.213 nan 8.230 nan 0.000 0.435 121 P HA 0.230 nan 4.420 nan 0.000 0.264 121 P C -0.919 176.340 177.300 -0.069 0.000 1.193 121 P CA 0.170 63.239 63.100 -0.052 0.000 0.763 121 P CB 0.558 32.215 31.700 -0.071 0.000 0.810 122 I N 4.890 125.423 120.570 -0.062 0.000 2.571 122 I HA 0.453 4.623 4.170 -0.000 0.000 0.289 122 I C -2.748 173.320 176.117 -0.081 0.000 1.115 122 I CA -3.275 57.969 61.300 -0.093 0.000 1.045 122 I CB 2.076 40.063 38.000 -0.022 0.000 1.238 122 I HN 0.165 nan 8.210 nan 0.000 0.424 123 P HA 0.142 nan 4.420 nan 0.000 0.266 123 P C -0.485 176.699 177.300 -0.192 0.000 1.193 123 P CA 0.191 63.161 63.100 -0.215 0.000 0.770 123 P CB 0.312 31.870 31.700 -0.237 0.000 0.836 124 I N 2.617 123.056 120.570 -0.218 0.000 2.683 124 I HA -0.010 4.160 4.170 -0.000 0.000 0.286 124 I C 1.083 177.146 176.117 -0.090 0.000 1.175 124 I CA 0.652 61.812 61.300 -0.233 0.000 1.429 124 I CB -0.247 37.606 38.000 -0.246 0.000 1.371 124 I HN 0.520 nan 8.210 nan 0.000 0.569 125 N N 5.626 124.298 118.700 -0.047 0.000 3.157 125 N HA 0.273 5.013 4.740 -0.000 0.000 0.291 125 N C 0.347 175.879 175.510 0.036 0.000 1.515 125 N CA -0.949 52.107 53.050 0.011 0.000 0.807 125 N CB 0.713 39.175 38.487 -0.042 0.000 1.672 125 N HN 0.460 nan 8.380 nan 0.000 0.592 126 L N -0.163 121.072 121.223 0.020 0.000 2.034 126 L HA -0.258 4.082 4.340 -0.000 0.000 0.217 126 L C 0.770 177.612 176.870 -0.046 0.000 1.077 126 L CA 2.262 57.087 54.840 -0.024 0.000 0.769 126 L CB -0.382 41.646 42.059 -0.052 0.000 0.890 126 L HN 0.564 nan 8.230 nan 0.000 0.435 127 D N -1.161 119.211 120.400 -0.046 0.000 2.178 127 D HA -0.143 4.497 4.640 -0.000 0.000 0.201 127 D C 2.001 178.271 176.300 -0.050 0.000 0.980 127 D CA 1.686 55.656 54.000 -0.050 0.000 0.842 127 D CB -0.090 40.681 40.800 -0.049 0.000 0.948 127 D HN 0.416 nan 8.370 nan 0.000 0.472 128 T N 0.862 115.385 114.554 -0.050 0.000 2.674 128 T HA -0.101 4.249 4.350 -0.000 0.000 0.265 128 T C 2.345 177.007 174.700 -0.064 0.000 1.039 128 T CA 0.958 63.025 62.100 -0.054 0.000 1.150 128 T CB -0.433 68.358 68.868 -0.128 0.000 0.864 128 T HN -0.028 nan 8.240 nan 0.000 0.427 129 V N 2.468 122.354 119.914 -0.047 0.000 2.287 129 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 129 V C 2.504 178.540 176.094 -0.096 0.000 1.053 129 V CA 1.607 63.873 62.300 -0.058 0.000 1.027 129 V CB -0.696 31.081 31.823 -0.077 0.000 0.646 129 V HN 0.408 nan 8.190 nan 0.000 0.447 130 N N 0.222 118.865 118.700 -0.094 0.000 2.084 130 N HA -0.113 4.627 4.740 -0.000 0.000 0.190 130 N C 2.008 177.481 175.510 -0.061 0.000 1.030 130 N CA 1.401 54.402 53.050 -0.081 0.000 0.849 130 N CB -0.317 38.125 38.487 -0.075 0.000 1.012 130 N HN 0.463 nan 8.380 nan 0.000 0.423 131 R N -0.020 120.442 120.500 -0.064 0.000 2.115 131 R HA -0.006 4.334 4.340 -0.000 0.000 0.226 131 R C 1.963 178.218 176.300 -0.074 0.000 1.100 131 R CA 0.473 56.541 56.100 -0.053 0.000 0.980 131 R CB -0.314 29.961 30.300 -0.042 0.000 0.875 131 R HN 0.138 nan 8.270 nan 0.000 0.445 132 L N -0.405 120.730 121.223 -0.146 0.000 2.044 132 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 132 L C 1.220 177.944 176.870 -0.243 0.000 1.075 132 L CA 1.811 56.496 54.840 -0.258 0.000 0.747 132 L CB -0.196 41.584 42.059 -0.465 0.000 0.903 132 L HN 0.069 nan 8.230 nan 0.000 0.435 133 Y N 0.042 120.339 120.300 -0.005 0.000 2.457 133 Y HA 0.462 5.012 4.550 -0.000 0.000 0.263 133 Y C 1.693 177.567 175.900 -0.043 0.000 1.164 133 Y CA -0.342 57.743 58.100 -0.024 0.000 1.274 133 Y CB -0.465 37.957 38.460 -0.063 0.000 1.097 133 Y HN 0.236 nan 8.280 nan 0.000 0.523 134 G N 1.130 109.967 108.800 0.062 0.000 2.246 134 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.273 134 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.273 134 G C -0.025 174.878 174.900 0.006 0.000 1.055 134 G CA 0.279 45.393 45.100 0.024 0.000 0.851 134 G HN 0.296 nan 8.290 nan 0.000 0.500 135 L N -1.068 120.147 121.223 -0.013 0.000 2.472 135 L HA 0.533 4.873 4.340 -0.000 0.000 0.256 135 L C 1.085 177.918 176.870 -0.062 0.000 1.111 135 L CA -0.973 53.830 54.840 -0.061 0.000 0.800 135 L CB 0.636 42.611 42.059 -0.140 0.000 1.286 135 L HN 0.090 nan 8.230 nan 0.000 0.479 136 N N 0.774 119.433 118.700 -0.069 0.000 2.536 136 N HA 0.277 5.017 4.740 -0.000 0.000 0.286 136 N C -0.832 174.644 175.510 -0.057 0.000 1.577 136 N CA -0.105 52.912 53.050 -0.054 0.000 0.883 136 N CB 0.831 39.298 38.487 -0.033 0.000 1.390 136 N HN 0.385 nan 8.380 nan 0.000 0.491 137 L N 1.351 122.519 121.223 -0.092 0.000 2.483 137 L HA 0.084 4.424 4.340 -0.000 0.000 0.276 137 L C 1.660 178.500 176.870 -0.051 0.000 1.213 137 L CA 0.254 55.044 54.840 -0.083 0.000 0.843 137 L CB 0.025 41.992 42.059 -0.153 0.000 1.107 137 L HN 0.151 nan 8.230 nan 0.000 0.487 138 T N -1.384 113.167 114.554 -0.004 0.000 2.788 138 T HA 0.143 4.493 4.350 -0.000 0.000 0.280 138 T C 1.187 175.854 174.700 -0.055 0.000 0.984 138 T CA -0.425 61.679 62.100 0.006 0.000 0.972 138 T CB 1.283 70.234 68.868 0.138 0.000 1.039 138 T HN 0.551 nan 8.240 nan 0.000 0.530 139 S N 0.205 115.796 115.700 -0.182 0.000 2.359 139 S HA -0.039 4.431 4.470 -0.000 0.000 0.224 139 S C 1.601 176.073 174.600 -0.214 0.000 1.035 139 S CA 1.316 59.357 58.200 -0.264 0.000 1.018 139 S CB -0.807 62.132 63.200 -0.435 0.000 0.876 139 S HN 0.665 nan 8.310 nan 0.000 0.448 140 F N 1.858 121.815 119.950 0.011 0.000 2.126 140 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 140 F C 2.654 178.464 175.800 0.018 0.000 1.096 140 F CA 1.069 59.079 58.000 0.017 0.000 1.255 140 F CB -0.861 38.144 39.000 0.008 0.000 0.997 140 F HN 0.217 nan 8.300 nan 0.000 0.479 141 Q N -0.479 119.429 119.800 0.180 0.000 2.167 141 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 141 Q C 2.392 178.422 176.000 0.049 0.000 0.970 141 Q CA 1.143 57.004 55.803 0.096 0.000 0.855 141 Q CB -0.332 28.437 28.738 0.051 0.000 0.911 141 Q HN 0.351 nan 8.270 nan 0.000 0.438 142 V N 0.571 120.482 119.914 -0.005 0.000 3.041 142 V HA -0.167 3.953 4.120 -0.000 0.000 0.260 142 V C 1.887 177.983 176.094 0.002 0.000 1.105 142 V CA 1.355 63.597 62.300 -0.098 0.000 1.125 142 V CB -0.011 31.708 31.823 -0.173 0.000 0.730 142 V HN 0.338 nan 8.190 nan 0.000 0.479 143 E N -0.114 120.162 120.200 0.127 0.000 2.072 143 E HA -0.213 4.137 4.350 -0.000 0.000 0.190 143 E C 2.070 178.776 176.600 0.178 0.000 0.982 143 E CA 1.438 57.966 56.400 0.213 0.000 0.803 143 E CB -0.011 29.784 29.700 0.157 0.000 0.755 143 E HN 0.750 nan 8.360 nan 0.000 0.453 144 E N -0.234 120.044 120.200 0.130 0.000 2.107 144 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 144 E C 1.831 178.486 176.600 0.091 0.000 0.982 144 E CA 0.758 57.218 56.400 0.100 0.000 0.809 144 E CB -0.178 29.575 29.700 0.088 0.000 0.756 144 E HN 0.286 nan 8.360 nan 0.000 0.459 145 F N 0.957 120.866 119.950 -0.068 0.000 2.102 145 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 145 F C 1.751 177.506 175.800 -0.076 0.000 1.105 145 F CA 1.213 59.137 58.000 -0.127 0.000 1.239 145 F CB -0.174 38.679 39.000 -0.246 0.000 0.991 145 F HN -0.128 nan 8.300 nan 0.000 0.474 146 F N 1.041 120.958 119.950 -0.055 0.000 2.095 146 F HA -0.138 4.388 4.527 -0.000 0.000 0.298 146 F C 2.714 178.404 175.800 -0.183 0.000 1.104 146 F CA 1.232 59.137 58.000 -0.158 0.000 1.232 146 F CB -1.657 37.343 39.000 0.000 0.000 0.987 146 F HN 0.098 nan 8.300 nan 0.000 0.475 147 A N 0.000 122.880 122.820 0.100 0.000 1.917 147 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 147 A C 2.329 179.884 177.584 -0.048 0.000 1.182 147 A CA 2.502 54.553 52.037 0.024 0.000 0.633 147 A CB -1.362 17.660 19.000 0.036 0.000 0.819 147 A HN 0.432 nan 8.150 nan 0.000 0.448 148 S N -0.747 114.890 115.700 -0.105 0.000 2.555 148 S HA 0.032 4.502 4.470 -0.000 0.000 0.230 148 S C 1.330 175.820 174.600 -0.183 0.000 0.978 148 S CA 1.276 59.398 58.200 -0.131 0.000 0.934 148 S CB -0.427 62.699 63.200 -0.124 0.000 0.766 148 S HN 1.249 nan 8.310 nan 0.000 0.533 149 V N -3.022 116.757 119.914 -0.224 0.000 3.539 149 V HA 0.647 4.767 4.120 -0.000 0.000 0.262 149 V C 0.831 176.867 176.094 -0.097 0.000 1.381 149 V CA -0.037 62.145 62.300 -0.196 0.000 1.060 149 V CB -0.654 30.974 31.823 -0.325 0.000 0.842 149 V HN 0.500 nan 8.190 nan 0.000 0.445 150 A N 1.786 124.564 122.820 -0.070 0.000 2.524 150 A HA 0.334 4.654 4.320 -0.000 0.000 0.250 150 A C 0.345 177.892 177.584 -0.062 0.000 1.078 150 A CA 0.022 52.026 52.037 -0.055 0.000 0.761 150 A CB -0.438 18.531 19.000 -0.051 0.000 1.012 150 A HN 0.690 nan 8.150 nan 0.000 0.500 151 E N 2.026 122.185 120.200 -0.069 0.000 2.373 151 E HA 0.145 4.494 4.350 -0.000 0.000 0.267 151 E C -0.275 176.283 176.600 -0.071 0.000 1.032 151 E CA -0.413 55.945 56.400 -0.069 0.000 0.889 151 E CB 0.723 30.375 29.700 -0.080 0.000 0.984 151 E HN 0.360 nan 8.360 nan 0.000 0.425 152 K N 1.917 122.282 120.400 -0.058 0.000 2.205 152 K HA 0.317 4.637 4.320 -0.000 0.000 0.279 152 K C -0.873 175.692 176.600 -0.057 0.000 1.027 152 K CA -0.500 55.754 56.287 -0.055 0.000 0.932 152 K CB 1.455 33.929 32.500 -0.043 0.000 1.032 152 K HN 0.244 nan 8.250 nan 0.000 0.466 153 V N 3.213 123.091 119.914 -0.060 0.000 2.487 153 V HA 0.078 4.198 4.120 -0.000 0.000 0.298 153 V C 1.354 177.419 176.094 -0.048 0.000 1.028 153 V CA -0.572 61.693 62.300 -0.059 0.000 0.860 153 V CB 1.643 33.422 31.823 -0.073 0.000 0.991 153 V HN 0.764 nan 8.190 nan 0.000 0.427 154 E N 3.023 123.198 120.200 -0.041 0.000 2.070 154 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 154 E C 0.826 177.405 176.600 -0.034 0.000 1.004 154 E CA 1.733 58.113 56.400 -0.034 0.000 0.805 154 E CB 0.196 29.878 29.700 -0.029 0.000 0.744 154 E HN 0.702 nan 8.360 nan 0.000 0.451 155 Q N -0.676 119.101 119.800 -0.037 0.000 2.275 155 Q HA 0.304 4.644 4.340 -0.000 0.000 0.258 155 Q C -1.810 174.164 176.000 -0.043 0.000 0.960 155 Q CA -0.549 55.232 55.803 -0.036 0.000 0.801 155 Q CB 1.952 30.672 28.738 -0.029 0.000 1.302 155 Q HN -0.021 nan 8.270 nan 0.000 0.433 156 V N 5.336 125.221 119.914 -0.049 0.000 2.446 156 V HA 0.156 4.276 4.120 -0.000 0.000 0.276 156 V C 0.742 176.806 176.094 -0.049 0.000 1.030 156 V CA 0.613 62.878 62.300 -0.058 0.000 1.033 156 V CB 0.604 32.387 31.823 -0.067 0.000 0.993 156 V HN 0.808 nan 8.190 nan 0.000 0.477 157 R N 2.243 122.714 120.500 -0.048 0.000 2.320 157 R HA 0.148 4.488 4.340 -0.000 0.000 0.193 157 R C 0.930 177.205 176.300 -0.042 0.000 0.885 157 R CA 0.434 56.510 56.100 -0.039 0.000 1.085 157 R CB 0.275 30.556 30.300 -0.032 0.000 1.253 157 R HN 0.714 nan 8.270 nan 0.000 0.636 158 T N -1.928 112.596 114.554 -0.049 0.000 2.927 158 T HA 0.236 4.586 4.350 -0.000 0.000 0.281 158 T C 1.030 175.698 174.700 -0.053 0.000 0.998 158 T CA -0.586 61.486 62.100 -0.047 0.000 1.019 158 T CB 1.954 70.797 68.868 -0.040 0.000 1.061 158 T HN -0.138 nan 8.240 nan 0.000 0.518 159 S N -0.152 115.526 115.700 -0.036 0.000 2.442 159 S HA -0.089 4.381 4.470 -0.000 0.000 0.236 159 S C 1.768 176.366 174.600 -0.004 0.000 1.007 159 S CA 1.208 59.399 58.200 -0.016 0.000 0.965 159 S CB -0.460 62.751 63.200 0.018 0.000 0.773 159 S HN 0.874 nan 8.310 nan 0.000 0.504 160 E N 0.943 121.132 120.200 -0.018 0.000 2.072 160 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 160 E C 1.152 177.596 176.600 -0.259 0.000 0.982 160 E CA 1.128 57.441 56.400 -0.145 0.000 0.803 160 E CB -0.008 29.599 29.700 -0.154 0.000 0.755 160 E HN 0.361 nan 8.360 nan 0.000 0.453 161 D N 0.588 120.886 120.400 -0.170 0.000 2.123 161 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 161 D C 2.182 178.382 176.300 -0.165 0.000 0.992 161 D CA 1.856 55.760 54.000 -0.160 0.000 0.833 161 D CB -0.352 40.383 40.800 -0.109 0.000 0.954 161 D HN 0.293 nan 8.370 nan 0.000 0.455 162 V N -0.467 119.356 119.914 -0.153 0.000 2.343 162 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 162 V C 2.498 178.459 176.094 -0.222 0.000 1.051 162 V CA 1.273 63.474 62.300 -0.164 0.000 1.036 162 V CB -1.112 30.622 31.823 -0.148 0.000 0.654 162 V HN 0.015 nan 8.190 nan 0.000 0.451 163 V N -0.411 119.342 119.914 -0.268 0.000 2.302 163 V HA -0.099 4.021 4.120 -0.000 0.000 0.243 163 V C 2.652 178.610 176.094 -0.227 0.000 1.036 163 V CA 1.712 63.817 62.300 -0.326 0.000 1.020 163 V CB -0.245 31.349 31.823 -0.381 0.000 0.657 163 V HN 0.378 nan 8.190 nan 0.000 0.453 164 V N 1.389 121.139 119.914 -0.272 0.000 2.392 164 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 164 V C 2.702 178.698 176.094 -0.163 0.000 1.059 164 V CA 2.483 64.637 62.300 -0.243 0.000 1.051 164 V CB -0.524 31.075 31.823 -0.375 0.000 0.658 164 V HN 0.780 nan 8.190 nan 0.000 0.455 165 S N -1.464 114.137 115.700 -0.166 0.000 2.515 165 S HA -0.067 4.403 4.470 -0.000 0.000 0.231 165 S C 1.710 176.234 174.600 -0.126 0.000 0.987 165 S CA 0.919 59.042 58.200 -0.128 0.000 0.936 165 S CB -0.110 63.019 63.200 -0.118 0.000 0.766 165 S HN 0.660 nan 8.310 nan 0.000 0.528 166 K N 0.415 120.719 120.400 -0.161 0.000 2.306 166 K HA 0.226 4.546 4.320 -0.000 0.000 0.200 166 K C 1.047 177.506 176.600 -0.235 0.000 1.083 166 K CA 0.944 57.110 56.287 -0.201 0.000 0.959 166 K CB 0.844 33.190 32.500 -0.256 0.000 0.994 166 K HN 0.385 nan 8.250 nan 0.000 0.492 167 V N -2.478 117.329 119.914 -0.178 0.000 3.111 167 V HA 0.478 4.598 4.120 -0.000 0.000 0.343 167 V C 0.134 176.294 176.094 0.109 0.000 1.417 167 V CA -0.139 62.123 62.300 -0.063 0.000 1.142 167 V CB -0.042 31.677 31.823 -0.174 0.000 1.114 167 V HN 0.346 nan 8.190 nan 0.000 0.520 168 G N 1.731 110.549 108.800 0.030 0.000 2.829 168 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.628 168 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.628 168 G C 0.145 175.106 174.900 0.102 0.000 1.412 168 G CA 0.426 45.550 45.100 0.039 0.000 0.864 168 G HN 0.796 nan 8.290 nan 0.000 0.544 169 R N 0.127 120.682 120.500 0.092 0.000 2.090 169 R HA 0.015 4.355 4.340 -0.000 0.000 0.228 169 R C 2.089 178.558 176.300 0.282 0.000 1.110 169 R CA 2.410 58.604 56.100 0.156 0.000 0.973 169 R CB -0.678 29.678 30.300 0.094 0.000 0.869 169 R HN 0.662 nan 8.270 nan 0.000 0.440 170 D N -0.287 120.257 120.400 0.241 0.000 2.077 170 D HA -0.109 4.531 4.640 -0.000 0.000 0.196 170 D C 1.859 178.373 176.300 0.355 0.000 0.986 170 D CA 1.553 55.720 54.000 0.278 0.000 0.829 170 D CB -0.091 40.876 40.800 0.278 0.000 0.983 170 D HN 0.274 nan 8.370 nan 0.000 0.453 171 L N -0.295 121.181 121.223 0.421 0.000 2.079 171 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 171 L C 2.416 179.605 176.870 0.532 0.000 1.081 171 L CA 1.257 56.403 54.840 0.511 0.000 0.752 171 L CB -0.749 41.589 42.059 0.465 0.000 0.896 171 L HN 0.225 nan 8.230 nan 0.000 0.433 172 Y N 1.512 121.996 120.300 0.307 0.000 2.128 172 Y HA -0.299 4.251 4.550 -0.000 0.000 0.284 172 Y C 2.430 178.515 175.900 0.309 0.000 1.154 172 Y CA 1.889 60.161 58.100 0.287 0.000 1.149 172 Y CB -0.321 38.214 38.460 0.126 0.000 0.976 172 Y HN 0.200 nan 8.280 nan 0.000 0.505 173 N N 0.570 119.340 118.700 0.118 0.000 2.120 173 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 173 N C 1.592 177.094 175.510 -0.013 0.000 1.024 173 N CA 1.960 54.997 53.050 -0.023 0.000 0.852 173 N CB -0.306 38.249 38.487 0.112 0.000 1.003 173 N HN 0.479 nan 8.380 nan 0.000 0.424 174 K N -1.163 119.282 120.400 0.075 0.000 2.296 174 K HA 0.066 4.386 4.320 -0.000 0.000 0.200 174 K C 0.971 177.387 176.600 -0.306 0.000 1.048 174 K CA 0.688 56.913 56.287 -0.103 0.000 0.966 174 K CB 0.123 32.553 32.500 -0.118 0.000 0.754 174 K HN 0.155 nan 8.250 nan 0.000 0.466 175 F N -1.862 118.094 119.950 0.010 0.000 2.577 175 F HA 0.187 4.714 4.527 -0.000 0.000 0.276 175 F C 1.457 177.105 175.800 -0.253 0.000 1.032 175 F CA 0.078 58.005 58.000 -0.122 0.000 1.297 175 F CB 0.261 39.180 39.000 -0.136 0.000 1.061 175 F HN -0.163 nan 8.300 nan 0.000 0.680 176 F N -0.612 119.389 119.950 0.084 0.000 2.419 176 F HA 0.224 4.751 4.527 -0.000 0.000 0.283 176 F C 2.386 178.134 175.800 -0.085 0.000 1.044 176 F CA 0.262 58.271 58.000 0.015 0.000 1.376 176 F CB -0.423 38.608 39.000 0.052 0.000 1.131 176 F HN -0.362 nan 8.300 nan 0.000 0.585 177 R N 0.785 121.146 120.500 -0.231 0.000 2.082 177 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 177 R C 2.414 178.710 176.300 -0.006 0.000 1.136 177 R CA 1.893 57.830 56.100 -0.273 0.000 0.935 177 R CB -1.099 28.907 30.300 -0.489 0.000 0.842 177 R HN 0.389 nan 8.270 nan 0.000 0.430 178 G N -0.393 108.403 108.800 -0.008 0.000 2.480 178 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.216 178 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.216 178 G C 1.357 176.308 174.900 0.085 0.000 1.200 178 G CA 1.061 46.177 45.100 0.026 0.000 0.782 178 G HN 0.529 nan 8.290 nan 0.000 0.554 179 Y N 1.713 122.011 120.300 -0.003 0.000 2.114 179 Y HA -0.248 4.302 4.550 -0.000 0.000 0.282 179 Y C 3.254 179.204 175.900 0.084 0.000 1.165 179 Y CA 2.484 60.596 58.100 0.020 0.000 1.148 179 Y CB -0.316 38.142 38.460 -0.005 0.000 0.972 179 Y HN 0.243 nan 8.280 nan 0.000 0.504 180 T N 0.320 115.150 114.554 0.460 0.000 2.708 180 T HA -0.204 4.146 4.350 -0.000 0.000 0.266 180 T C 1.819 176.751 174.700 0.385 0.000 1.037 180 T CA 1.759 64.174 62.100 0.526 0.000 1.146 180 T CB -0.303 68.839 68.868 0.455 0.000 0.865 180 T HN 0.337 nan 8.240 nan 0.000 0.435 181 R N 0.728 121.362 120.500 0.223 0.000 2.096 181 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 181 R C 2.552 178.906 176.300 0.091 0.000 1.127 181 R CA 1.354 57.546 56.100 0.154 0.000 0.968 181 R CB -0.147 30.210 30.300 0.096 0.000 0.861 181 R HN 0.348 nan 8.270 nan 0.000 0.440 182 K N 0.469 120.877 120.400 0.014 0.000 2.116 182 K HA -0.198 4.122 4.320 -0.000 0.000 0.203 182 K C 2.178 178.694 176.600 -0.141 0.000 1.052 182 K CA 1.370 57.608 56.287 -0.081 0.000 0.952 182 K CB 0.148 32.547 32.500 -0.167 0.000 0.729 182 K HN -0.048 nan 8.250 nan 0.000 0.446 183 Q N -0.432 119.245 119.800 -0.205 0.000 2.049 183 Q HA -0.116 4.224 4.340 -0.000 0.000 0.198 183 Q C 1.197 176.932 176.000 -0.441 0.000 0.971 183 Q CA 1.957 57.505 55.803 -0.425 0.000 0.833 183 Q CB -0.216 28.189 28.738 -0.555 0.000 0.896 183 Q HN 0.451 nan 8.270 nan 0.000 0.434 184 W N -1.166 120.124 121.300 -0.016 0.000 2.762 184 W HA 0.417 5.077 4.660 -0.000 0.000 0.265 184 W C 1.223 177.752 176.519 0.017 0.000 1.263 184 W CA 0.260 57.604 57.345 -0.002 0.000 1.411 184 W CB 0.287 29.770 29.460 0.038 0.000 1.065 184 W HN 0.324 nan 8.180 nan 0.000 0.609 185 G N 0.512 109.439 108.800 0.212 0.000 2.148 185 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.254 185 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.254 185 G C -0.603 174.393 174.900 0.161 0.000 0.981 185 G CA -0.015 45.172 45.100 0.145 0.000 0.670 185 G HN 0.067 nan 8.290 nan 0.000 0.528 186 L N 0.782 122.136 121.223 0.219 0.000 2.385 186 L HA 0.518 4.858 4.340 -0.000 0.000 0.273 186 L C 0.194 177.160 176.870 0.160 0.000 0.990 186 L CA -1.269 53.667 54.840 0.159 0.000 0.821 186 L CB 1.782 43.917 42.059 0.127 0.000 1.279 186 L HN 0.231 nan 8.230 nan 0.000 0.412 187 D N 3.824 124.298 120.400 0.124 0.000 2.419 187 D HA 0.022 4.662 4.640 -0.000 0.000 0.236 187 D C -1.725 174.655 176.300 0.133 0.000 1.165 187 D CA -0.960 53.122 54.000 0.137 0.000 0.882 187 D CB 1.815 42.686 40.800 0.119 0.000 1.201 187 D HN 0.299 nan 8.370 nan 0.000 0.443 188 P HA -0.117 nan 4.420 nan 0.000 0.223 188 P C 1.161 178.517 177.300 0.094 0.000 1.144 188 P CA 1.045 64.249 63.100 0.173 0.000 0.783 188 P CB 0.063 31.970 31.700 0.346 0.000 0.771 189 S N -1.176 114.578 115.700 0.089 0.000 2.527 189 S HA -0.015 4.455 4.470 -0.000 0.000 0.222 189 S C 1.304 175.914 174.600 0.016 0.000 0.985 189 S CA 0.467 58.687 58.200 0.034 0.000 0.921 189 S CB -0.751 62.469 63.200 0.034 0.000 0.772 189 S HN 0.228 nan 8.310 nan 0.000 0.529 190 E N 0.593 120.806 120.200 0.022 0.000 2.465 190 E HA 0.389 4.739 4.350 -0.000 0.000 0.195 190 E C -0.519 176.064 176.600 -0.030 0.000 1.028 190 E CA -0.118 56.286 56.400 0.007 0.000 0.899 190 E CB 0.347 30.064 29.700 0.027 0.000 1.032 190 E HN 0.484 nan 8.360 nan 0.000 0.468 191 L N 0.759 121.949 121.223 -0.054 0.000 2.370 191 L HA 0.346 4.686 4.340 -0.000 0.000 0.266 191 L C -0.341 176.475 176.870 -0.089 0.000 1.002 191 L CA -1.214 53.551 54.840 -0.124 0.000 0.818 191 L CB 2.099 44.018 42.059 -0.233 0.000 1.325 191 L HN -0.068 nan 8.230 nan 0.000 0.418 192 D N 0.966 121.309 120.400 -0.094 0.000 2.423 192 D HA 0.166 4.806 4.640 -0.000 0.000 0.238 192 D C 1.001 177.269 176.300 -0.054 0.000 1.142 192 D CA 0.542 54.508 54.000 -0.057 0.000 0.884 192 D CB 1.676 42.453 40.800 -0.038 0.000 1.199 192 D HN 0.606 nan 8.370 nan 0.000 0.438 193 A N 2.350 125.145 122.820 -0.043 0.000 2.032 193 A HA -0.201 4.119 4.320 -0.000 0.000 0.221 193 A C 2.138 179.700 177.584 -0.038 0.000 1.165 193 A CA 2.120 54.130 52.037 -0.046 0.000 0.645 193 A CB -0.983 17.988 19.000 -0.049 0.000 0.807 193 A HN 0.642 nan 8.150 nan 0.000 0.453 194 S N -0.499 115.185 115.700 -0.025 0.000 2.419 194 S HA -0.104 4.366 4.470 -0.000 0.000 0.233 194 S C 1.700 176.294 174.600 -0.010 0.000 1.016 194 S CA 1.264 59.455 58.200 -0.015 0.000 0.974 194 S CB -0.866 62.336 63.200 0.003 0.000 0.786 194 S HN 0.264 nan 8.310 nan 0.000 0.492 195 V N 3.086 123.001 119.914 0.002 0.000 2.216 195 V HA -0.156 3.964 4.120 -0.000 0.000 0.243 195 V C 3.112 179.272 176.094 0.110 0.000 1.044 195 V CA 2.267 64.604 62.300 0.062 0.000 0.995 195 V CB -1.678 30.115 31.823 -0.050 0.000 0.633 195 V HN 0.842 nan 8.190 nan 0.000 0.446 196 T N -1.330 113.286 114.554 0.104 0.000 3.163 196 T HA 0.130 4.480 4.350 -0.000 0.000 0.260 196 T C 1.460 176.183 174.700 0.039 0.000 1.156 196 T CA 0.916 63.110 62.100 0.157 0.000 1.072 196 T CB -0.137 68.809 68.868 0.129 0.000 0.937 196 T HN 0.442 nan 8.240 nan 0.000 0.528 197 A N 1.387 124.202 122.820 -0.008 0.000 2.208 197 A HA 0.236 4.556 4.320 -0.000 0.000 0.209 197 A C 2.443 180.010 177.584 -0.029 0.000 1.161 197 A CA 0.063 52.073 52.037 -0.046 0.000 0.782 197 A CB -0.435 18.534 19.000 -0.052 0.000 0.816 197 A HN 0.507 nan 8.150 nan 0.000 0.477 198 R N -0.433 120.064 120.500 -0.005 0.000 2.092 198 R HA -0.031 4.309 4.340 -0.000 0.000 0.231 198 R C -0.102 176.180 176.300 -0.030 0.000 1.119 198 R CA 1.102 57.191 56.100 -0.018 0.000 0.970 198 R CB -0.242 30.041 30.300 -0.029 0.000 0.864 198 R HN 0.325 nan 8.270 nan 0.000 0.440 199 V N 4.191 124.106 119.914 0.001 0.000 2.320 199 V HA 0.188 4.308 4.120 -0.000 0.000 0.265 199 V C -1.857 174.216 176.094 -0.036 0.000 1.048 199 V CA -1.854 60.402 62.300 -0.073 0.000 0.865 199 V CB 0.698 32.535 31.823 0.024 0.000 1.043 199 V HN 0.093 nan 8.190 nan 0.000 0.474 200 P HA 0.246 nan 4.420 nan 0.000 0.272 200 P C -0.212 177.017 177.300 -0.118 0.000 1.240 200 P CA -0.053 62.980 63.100 -0.112 0.000 0.791 200 P CB 0.731 32.361 31.700 -0.116 0.000 0.978 201 T N -0.933 113.529 114.554 -0.153 0.000 2.797 201 T HA 0.610 4.960 4.350 -0.000 0.000 0.279 201 T C 0.005 174.600 174.700 -0.175 0.000 0.991 201 T CA -0.951 61.033 62.100 -0.194 0.000 0.979 201 T CB 1.339 70.016 68.868 -0.318 0.000 0.943 201 T HN 0.299 nan 8.240 nan 0.000 0.444 202 R N 1.234 121.659 120.500 -0.125 0.000 2.711 202 R HA 0.570 4.910 4.340 -0.000 0.000 0.284 202 R C 1.004 177.327 176.300 0.039 0.000 0.968 202 R CA -0.797 55.265 56.100 -0.063 0.000 0.924 202 R CB 1.528 31.788 30.300 -0.068 0.000 1.162 202 R HN 0.898 nan 8.270 nan 0.000 0.465 203 T N -2.817 111.770 114.554 0.055 0.000 3.044 203 T HA -0.017 4.333 4.350 -0.000 0.000 0.250 203 T C 0.876 175.578 174.700 0.004 0.000 1.081 203 T CA -0.194 61.980 62.100 0.123 0.000 1.040 203 T CB -0.222 68.715 68.868 0.115 0.000 0.962 203 T HN 0.575 nan 8.240 nan 0.000 0.506 204 N N 2.331 121.009 118.700 -0.037 0.000 2.385 204 N HA 0.176 4.915 4.740 -0.000 0.000 0.291 204 N C 0.538 176.010 175.510 -0.063 0.000 1.298 204 N CA -0.752 52.252 53.050 -0.076 0.000 0.955 204 N CB 0.374 38.812 38.487 -0.081 0.000 1.096 204 N HN 0.176 nan 8.380 nan 0.000 0.543 205 R N -1.798 118.660 120.500 -0.070 0.000 2.543 205 R HA 0.192 4.532 4.340 -0.000 0.000 0.323 205 R C -0.638 175.623 176.300 -0.065 0.000 1.002 205 R CA -0.530 55.532 56.100 -0.064 0.000 1.106 205 R CB -0.047 30.215 30.300 -0.062 0.000 1.280 205 R HN 0.548 nan 8.270 nan 0.000 0.549 206 D N 2.457 122.815 120.400 -0.070 0.000 2.458 206 D HA -0.052 4.588 4.640 -0.000 0.000 0.243 206 D C 0.341 176.590 176.300 -0.086 0.000 1.146 206 D CA 0.397 54.352 54.000 -0.075 0.000 0.877 206 D CB 0.746 41.499 40.800 -0.077 0.000 1.176 206 D HN 0.211 nan 8.370 nan 0.000 0.461 207 N N 2.417 121.064 118.700 -0.089 0.000 2.238 207 N HA 0.045 4.785 4.740 -0.000 0.000 0.235 207 N C -0.273 175.166 175.510 -0.118 0.000 1.209 207 N CA -0.418 52.572 53.050 -0.100 0.000 0.879 207 N CB 0.137 38.571 38.487 -0.089 0.000 1.136 207 N HN 0.135 nan 8.380 nan 0.000 0.517 208 R N -0.241 120.186 120.500 -0.121 0.000 2.539 208 R HA 0.157 4.497 4.340 -0.000 0.000 0.275 208 R C 0.310 176.501 176.300 -0.182 0.000 1.077 208 R CA -0.500 55.516 56.100 -0.140 0.000 1.097 208 R CB 0.565 30.801 30.300 -0.107 0.000 1.018 208 R HN 0.042 nan 8.270 nan 0.000 0.483 209 Y N 1.184 121.219 120.300 -0.441 0.000 2.373 209 Y HA 0.039 4.589 4.550 -0.000 0.000 0.293 209 Y C -0.241 175.190 175.900 -0.782 0.000 1.129 209 Y CA 1.159 58.851 58.100 -0.681 0.000 1.226 209 Y CB 0.378 38.270 38.460 -0.947 0.000 1.000 209 Y HN 0.365 nan 8.280 nan 0.000 0.549 210 F N -1.937 117.963 119.950 -0.083 0.000 2.540 210 F HA 0.538 5.065 4.527 -0.000 0.000 0.317 210 F C 0.577 176.305 175.800 -0.121 0.000 1.104 210 F CA -0.790 57.115 58.000 -0.158 0.000 0.913 210 F CB 1.631 40.486 39.000 -0.243 0.000 1.170 210 F HN -0.244 nan 8.300 nan 0.000 0.450 211 A N 0.875 123.743 122.820 0.081 0.000 2.423 211 A HA 0.224 4.544 4.320 -0.000 0.000 0.246 211 A C -0.096 177.483 177.584 -0.008 0.000 1.278 211 A CA -0.308 51.730 52.037 0.003 0.000 0.903 211 A CB -0.634 18.348 19.000 -0.031 0.000 0.997 211 A HN 0.699 nan 8.150 nan 0.000 0.510 212 D N -0.242 120.178 120.400 0.033 0.000 2.406 212 D HA 0.098 4.738 4.640 -0.000 0.000 0.234 212 D C 1.285 177.517 176.300 -0.114 0.000 1.196 212 D CA 0.783 54.769 54.000 -0.023 0.000 0.881 212 D CB 0.567 41.370 40.800 0.004 0.000 1.205 212 D HN 0.107 nan 8.370 nan 0.000 0.453 213 T N 0.163 114.596 114.554 -0.202 0.000 2.812 213 T HA -0.096 4.254 4.350 -0.000 0.000 0.264 213 T C 0.189 174.501 174.700 -0.645 0.000 1.042 213 T CA 1.091 62.920 62.100 -0.452 0.000 1.140 213 T CB -0.176 68.311 68.868 -0.635 0.000 0.870 213 T HN 0.315 nan 8.240 nan 0.000 0.445 214 Y N 1.586 121.704 120.300 -0.303 0.000 2.334 214 Y HA 0.535 5.085 4.550 -0.000 0.000 0.336 214 Y C 0.085 175.775 175.900 -0.349 0.000 0.960 214 Y CA -1.074 56.717 58.100 -0.516 0.000 1.164 214 Y CB 0.887 38.812 38.460 -0.892 0.000 1.155 214 Y HN 0.004 nan 8.280 nan 0.000 0.478 215 Q N 3.016 122.742 119.800 -0.123 0.000 2.337 215 Q HA 0.830 5.170 4.340 -0.000 0.000 0.260 215 Q C -1.300 174.793 176.000 0.154 0.000 0.982 215 Q CA -0.833 55.001 55.803 0.050 0.000 0.734 215 Q CB 2.306 31.081 28.738 0.063 0.000 1.272 215 Q HN 0.771 nan 8.270 nan 0.000 0.461 216 A N 2.869 125.891 122.820 0.337 0.000 2.594 216 A HA 0.740 5.060 4.320 -0.000 0.000 0.296 216 A C -1.343 176.699 177.584 0.764 0.000 1.061 216 A CA -0.759 51.578 52.037 0.499 0.000 0.689 216 A CB 1.508 20.747 19.000 0.399 0.000 1.280 216 A HN 0.508 nan 8.150 nan 0.000 0.406 217 M N 1.472 121.449 119.600 0.628 0.000 2.363 217 M HA 0.386 4.866 4.480 -0.000 0.000 0.343 217 M C -2.544 173.858 176.300 0.170 0.000 1.165 217 M CA -2.569 52.968 55.300 0.394 0.000 1.046 217 M CB 0.634 33.349 32.600 0.192 0.000 1.648 217 M HN 0.272 nan 8.290 nan 0.000 0.452 218 P HA -0.027 nan 4.420 nan 0.000 0.262 218 P C 0.930 177.985 177.300 -0.410 0.000 1.199 218 P CA -0.111 62.619 63.100 -0.616 0.000 0.763 218 P CB 0.213 31.496 31.700 -0.696 0.000 0.790 219 L N 4.657 125.611 121.223 -0.449 0.000 2.051 219 L HA -0.205 4.135 4.340 -0.000 0.000 0.214 219 L C 1.170 177.803 176.870 -0.395 0.000 1.076 219 L CA 2.203 56.789 54.840 -0.423 0.000 0.758 219 L CB -0.922 40.772 42.059 -0.608 0.000 0.890 219 L HN 0.468 nan 8.230 nan 0.000 0.433 220 H N -0.585 118.385 119.070 -0.168 0.000 2.475 220 H HA 0.583 5.138 4.556 -0.000 0.000 0.276 220 H C 0.790 176.035 175.328 -0.138 0.000 1.126 220 H CA 0.187 56.167 56.048 -0.112 0.000 1.023 220 H CB -0.451 29.264 29.762 -0.078 0.000 1.669 220 H HN 0.312 nan 8.280 nan 0.000 0.573 221 G N -0.125 108.591 108.800 -0.139 0.000 2.692 221 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.686 221 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.686 221 G C 0.263 175.044 174.900 -0.198 0.000 1.243 221 G CA -0.470 44.517 45.100 -0.188 0.000 0.782 221 G HN 0.280 nan 8.290 nan 0.000 0.625 222 Y N 0.725 120.992 120.300 -0.054 0.000 2.128 222 Y HA -0.164 4.386 4.550 -0.000 0.000 0.284 222 Y C 3.423 179.392 175.900 0.115 0.000 1.154 222 Y CA 2.508 60.610 58.100 0.004 0.000 1.149 222 Y CB -0.513 37.995 38.460 0.079 0.000 0.976 222 Y HN 0.690 nan 8.280 nan 0.000 0.505 223 T N 0.211 114.902 114.554 0.229 0.000 2.665 223 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 223 T C 1.948 176.743 174.700 0.159 0.000 1.035 223 T CA 1.471 63.702 62.100 0.219 0.000 1.151 223 T CB -0.220 68.703 68.868 0.091 0.000 0.862 223 T HN 0.223 nan 8.240 nan 0.000 0.438 224 R N 0.588 121.129 120.500 0.067 0.000 2.105 224 R HA 0.038 4.377 4.340 -0.000 0.000 0.239 224 R C 2.418 178.709 176.300 -0.014 0.000 1.135 224 R CA 1.044 57.162 56.100 0.030 0.000 0.967 224 R CB -0.708 29.609 30.300 0.029 0.000 0.861 224 R HN 0.471 nan 8.270 nan 0.000 0.442 225 M N -0.510 119.044 119.600 -0.077 0.000 2.200 225 M HA -0.089 4.391 4.480 -0.000 0.000 0.265 225 M C 1.532 177.673 176.300 -0.264 0.000 1.066 225 M CA 1.546 56.722 55.300 -0.207 0.000 1.127 225 M CB -0.063 32.328 32.600 -0.348 0.000 1.379 225 M HN -0.036 nan 8.290 nan 0.000 0.420 226 F N 0.845 120.696 119.950 -0.165 0.000 2.234 226 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 226 F C 2.474 178.170 175.800 -0.172 0.000 1.087 226 F CA 1.446 59.316 58.000 -0.216 0.000 1.340 226 F CB -0.296 38.591 39.000 -0.190 0.000 1.031 226 F HN 0.256 nan 8.300 nan 0.000 0.500 227 Q N -0.104 119.736 119.800 0.066 0.000 2.079 227 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 227 Q C 1.942 177.937 176.000 -0.009 0.000 0.974 227 Q CA 1.283 57.102 55.803 0.027 0.000 0.840 227 Q CB -0.231 28.529 28.738 0.036 0.000 0.898 227 Q HN 0.329 nan 8.270 nan 0.000 0.430 228 N N 0.762 119.454 118.700 -0.014 0.000 2.069 228 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 228 N C 1.614 177.117 175.510 -0.011 0.000 1.031 228 N CA 1.273 54.346 53.050 0.039 0.000 0.852 228 N CB -0.282 38.270 38.487 0.109 0.000 1.018 228 N HN 0.219 nan 8.380 nan 0.000 0.423 229 M N 0.194 119.604 119.600 -0.317 0.000 2.149 229 M HA -0.085 4.395 4.480 -0.000 0.000 0.261 229 M C 0.807 176.911 176.300 -0.326 0.000 1.064 229 M CA 1.406 56.244 55.300 -0.770 0.000 1.102 229 M CB 0.066 32.136 32.600 -0.883 0.000 1.369 229 M HN 0.041 nan 8.290 nan 0.000 0.408 230 L N -0.404 120.727 121.223 -0.153 0.000 2.791 230 L HA 0.117 4.457 4.340 -0.000 0.000 0.239 230 L C 1.818 178.670 176.870 -0.030 0.000 1.203 230 L CA -0.207 54.587 54.840 -0.076 0.000 1.002 230 L CB -0.305 41.726 42.059 -0.046 0.000 1.295 230 L HN 0.342 nan 8.230 nan 0.000 0.504 231 S N -2.299 113.393 115.700 -0.014 0.000 2.446 231 S HA -0.059 4.411 4.470 -0.000 0.000 0.225 231 S C 1.217 175.830 174.600 0.022 0.000 1.016 231 S CA -0.006 58.202 58.200 0.012 0.000 0.943 231 S CB -0.068 63.148 63.200 0.027 0.000 0.786 231 S HN 0.355 nan 8.310 nan 0.000 0.508 232 S N 3.375 119.091 115.700 0.027 0.000 2.599 232 S HA 0.069 4.539 4.470 -0.000 0.000 0.303 232 S C -1.607 173.016 174.600 0.039 0.000 1.267 232 S CA -0.758 57.463 58.200 0.036 0.000 1.055 232 S CB 0.469 63.692 63.200 0.038 0.000 0.790 232 S HN 0.192 nan 8.310 nan 0.000 0.500 233 P HA 0.018 nan 4.420 nan 0.000 0.226 233 P C 0.533 177.871 177.300 0.063 0.000 1.153 233 P CA 0.634 63.761 63.100 0.046 0.000 0.777 233 P CB 0.025 31.748 31.700 0.038 0.000 0.794 234 N N -0.513 118.229 118.700 0.069 0.000 2.461 234 N HA 0.061 4.801 4.740 -0.000 0.000 0.188 234 N C 0.279 175.861 175.510 0.120 0.000 1.134 234 N CA 0.462 53.569 53.050 0.096 0.000 0.878 234 N CB 0.072 38.615 38.487 0.093 0.000 0.972 234 N HN 0.271 nan 8.380 nan 0.000 0.456 235 I N 1.450 122.073 120.570 0.090 0.000 2.382 235 I HA 0.188 4.358 4.170 -0.000 0.000 0.285 235 I C -0.391 175.771 176.117 0.076 0.000 1.007 235 I CA -0.823 60.522 61.300 0.074 0.000 1.142 235 I CB 1.201 39.215 38.000 0.023 0.000 1.289 235 I HN -0.411 nan 8.210 nan 0.000 0.453 236 K N 6.119 126.578 120.400 0.099 0.000 2.211 236 K HA 0.539 4.858 4.320 -0.000 0.000 0.275 236 K C -0.633 175.954 176.600 -0.022 0.000 1.024 236 K CA -0.678 55.656 56.287 0.078 0.000 0.887 236 K CB 2.270 34.892 32.500 0.202 0.000 1.084 236 K HN 0.250 nan 8.250 nan 0.000 0.463 237 V N 3.930 123.831 119.914 -0.022 0.000 2.435 237 V HA 0.467 4.587 4.120 -0.000 0.000 0.290 237 V C -0.110 175.948 176.094 -0.060 0.000 1.030 237 V CA -0.800 61.465 62.300 -0.058 0.000 0.881 237 V CB 1.483 33.276 31.823 -0.051 0.000 0.983 237 V HN 0.728 nan 8.190 nan 0.000 0.445 238 M N 6.104 125.650 119.600 -0.090 0.000 2.142 238 M HA 0.607 5.087 4.480 -0.000 0.000 0.299 238 M C -1.682 174.561 176.300 -0.095 0.000 0.960 238 M CA -0.269 54.984 55.300 -0.078 0.000 0.920 238 M CB 1.252 33.803 32.600 -0.082 0.000 1.541 238 M HN 0.537 nan 8.290 nan 0.000 0.429 239 L N 3.375 124.548 121.223 -0.084 0.000 2.313 239 L HA 0.554 4.894 4.340 -0.000 0.000 0.268 239 L C 0.747 177.565 176.870 -0.088 0.000 1.010 239 L CA -0.800 53.975 54.840 -0.108 0.000 0.814 239 L CB 1.391 43.384 42.059 -0.110 0.000 1.304 239 L HN 0.952 nan 8.230 nan 0.000 0.441 240 N N -0.147 118.490 118.700 -0.105 0.000 2.741 240 N HA -0.164 4.576 4.740 -0.000 0.000 0.250 240 N C -0.984 174.489 175.510 -0.062 0.000 1.115 240 N CA 1.060 54.064 53.050 -0.077 0.000 0.724 240 N CB -0.741 37.714 38.487 -0.052 0.000 1.090 240 N HN 0.780 nan 8.380 nan 0.000 0.558 241 T N 0.409 114.919 114.554 -0.073 0.000 2.881 241 T HA 0.162 4.512 4.350 -0.000 0.000 0.291 241 T C -1.072 173.589 174.700 -0.066 0.000 0.990 241 T CA -0.741 61.321 62.100 -0.062 0.000 0.976 241 T CB 1.716 70.550 68.868 -0.058 0.000 0.970 241 T HN 0.139 nan 8.240 nan 0.000 0.438 242 D N 1.810 122.165 120.400 -0.075 0.000 2.351 242 D HA 0.050 4.690 4.640 -0.000 0.000 0.251 242 D C 1.189 177.410 176.300 -0.133 0.000 1.137 242 D CA -0.432 53.512 54.000 -0.093 0.000 0.879 242 D CB 0.793 41.508 40.800 -0.142 0.000 1.181 242 D HN 0.692 nan 8.370 nan 0.000 0.448 243 Y N 3.869 124.109 120.300 -0.101 0.000 2.256 243 Y HA -0.144 4.406 4.550 -0.000 0.000 0.288 243 Y C 1.888 177.697 175.900 -0.152 0.000 1.155 243 Y CA 1.097 59.115 58.100 -0.137 0.000 1.203 243 Y CB -0.310 38.087 38.460 -0.105 0.000 0.980 243 Y HN 0.312 nan 8.280 nan 0.000 0.530 244 R N 0.811 120.711 120.500 -1.000 0.000 2.237 244 R HA -0.087 4.253 4.340 -0.000 0.000 0.219 244 R C 1.747 177.817 176.300 -0.383 0.000 1.080 244 R CA 1.316 56.970 56.100 -0.743 0.000 0.995 244 R CB -0.270 29.568 30.300 -0.771 0.000 0.875 244 R HN 0.613 nan 8.270 nan 0.000 0.462 245 E N 0.455 120.475 120.200 -0.300 0.000 2.347 245 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 245 E C 1.577 177.999 176.600 -0.296 0.000 1.008 245 E CA 0.979 57.257 56.400 -0.203 0.000 0.852 245 E CB 0.209 29.841 29.700 -0.112 0.000 0.783 245 E HN 0.527 nan 8.360 nan 0.000 0.505 246 I N -5.221 115.119 120.570 -0.384 0.000 4.655 246 I HA 0.373 4.543 4.170 -0.000 0.000 0.333 246 I C 1.988 177.777 176.117 -0.547 0.000 1.312 246 I CA -0.086 60.823 61.300 -0.653 0.000 1.270 246 I CB 0.408 38.238 38.000 -0.283 0.000 1.318 246 I HN -0.164 nan 8.210 nan 0.000 0.456 247 A N 1.812 124.471 122.820 -0.270 0.000 1.986 247 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 247 A C 1.790 179.387 177.584 0.022 0.000 1.171 247 A CA 2.499 54.532 52.037 -0.006 0.000 0.640 247 A CB -0.695 18.355 19.000 0.083 0.000 0.811 247 A HN 0.505 nan 8.150 nan 0.000 0.451 248 D N -0.672 119.608 120.400 -0.200 0.000 2.117 248 D HA -0.072 4.568 4.640 -0.000 0.000 0.198 248 D C 1.224 177.516 176.300 -0.015 0.000 0.982 248 D CA 1.574 55.510 54.000 -0.106 0.000 0.828 248 D CB -0.303 40.436 40.800 -0.100 0.000 0.967 248 D HN 0.748 nan 8.370 nan 0.000 0.464 249 F N -1.080 118.924 119.950 0.091 0.000 2.735 249 F HA 0.455 4.982 4.527 -0.000 0.000 0.304 249 F C 0.024 175.898 175.800 0.124 0.000 1.119 249 F CA -0.647 57.404 58.000 0.083 0.000 1.280 249 F CB 0.135 39.168 39.000 0.055 0.000 0.994 249 F HN -0.300 nan 8.300 nan 0.000 0.520 250 I N 3.142 123.868 120.570 0.260 0.000 2.410 250 I HA 0.356 4.526 4.170 -0.000 0.000 0.286 250 I C -2.519 173.849 176.117 0.420 0.000 1.009 250 I CA -2.311 59.208 61.300 0.365 0.000 1.111 250 I CB 2.024 40.207 38.000 0.305 0.000 1.262 250 I HN -0.161 nan 8.210 nan 0.000 0.443 251 P HA 0.163 nan 4.420 nan 0.000 0.269 251 P C -1.075 176.448 177.300 0.372 0.000 1.252 251 P CA 0.289 63.517 63.100 0.215 0.000 0.780 251 P CB -0.110 31.668 31.700 0.130 0.000 0.829 252 F N 0.540 120.572 119.950 0.137 0.000 2.626 252 F HA 0.566 5.093 4.527 -0.000 0.000 0.311 252 F C 0.706 176.536 175.800 0.050 0.000 1.088 252 F CA -0.984 57.094 58.000 0.130 0.000 0.949 252 F CB 0.987 40.057 39.000 0.117 0.000 1.322 252 F HN -0.058 nan 8.300 nan 0.000 0.461 253 Q N 0.465 120.341 119.800 0.127 0.000 2.141 253 Q HA 0.106 4.446 4.340 -0.000 0.000 0.194 253 Q C -0.355 175.694 176.000 0.082 0.000 0.975 253 Q CA 1.390 57.188 55.803 -0.008 0.000 0.834 253 Q CB -0.187 28.515 28.738 -0.059 0.000 0.916 253 Q HN 0.840 nan 8.270 nan 0.000 0.484 254 H N -0.925 118.130 119.070 -0.026 0.000 2.622 254 H HA 0.551 5.107 4.556 -0.000 0.000 0.363 254 H C -1.134 174.342 175.328 0.247 0.000 1.151 254 H CA -0.535 55.541 56.048 0.047 0.000 1.184 254 H CB 1.234 30.912 29.762 -0.140 0.000 1.643 254 H HN 0.039 nan 8.280 nan 0.000 0.531 255 M N 5.711 125.168 119.600 -0.239 0.000 2.336 255 M HA 0.457 4.937 4.480 -0.000 0.000 0.342 255 M C -1.600 174.576 176.300 -0.207 0.000 1.128 255 M CA -0.568 54.640 55.300 -0.153 0.000 1.016 255 M CB 0.788 33.308 32.600 -0.134 0.000 1.665 255 M HN 0.598 nan 8.290 nan 0.000 0.445 256 I N 5.522 126.049 120.570 -0.071 0.000 2.371 256 I HA 0.228 4.398 4.170 -0.000 0.000 0.282 256 I C -1.533 174.453 176.117 -0.219 0.000 1.031 256 I CA -0.666 60.581 61.300 -0.088 0.000 1.180 256 I CB 0.839 38.842 38.000 0.005 0.000 1.336 256 I HN 0.670 nan 8.210 nan 0.000 0.467 257 Y N 5.936 125.918 120.300 -0.530 0.000 2.341 257 Y HA 0.255 4.805 4.550 -0.000 0.000 0.340 257 Y C 1.211 176.859 175.900 -0.420 0.000 0.997 257 Y CA -0.298 57.437 58.100 -0.610 0.000 1.149 257 Y CB 1.393 39.253 38.460 -1.000 0.000 1.171 257 Y HN 0.613 nan 8.280 nan 0.000 0.494 258 T N 1.350 115.429 114.554 -0.791 0.000 3.084 258 T HA 0.390 4.740 4.350 -0.000 0.000 0.270 258 T C 0.779 175.127 174.700 -0.586 0.000 1.008 258 T CA 0.124 61.936 62.100 -0.480 0.000 0.900 258 T CB -0.288 68.416 68.868 -0.273 0.000 1.084 258 T HN 0.726 nan 8.240 nan 0.000 0.538 259 G N 2.170 110.208 108.800 -1.269 0.000 2.494 259 G HA2 0.568 4.528 3.960 -0.000 0.000 0.270 259 G HA3 0.568 4.528 3.960 -0.000 0.000 0.270 259 G C -2.812 172.045 174.900 -0.070 0.000 1.423 259 G CA -1.653 43.040 45.100 -0.679 0.000 1.055 259 G HN 0.208 nan 8.290 nan 0.000 0.536 260 P HA 0.157 nan 4.420 nan 0.000 0.271 260 P C 1.209 178.755 177.300 0.411 0.000 1.216 260 P CA -0.388 62.814 63.100 0.169 0.000 0.776 260 P CB 1.261 32.956 31.700 -0.009 0.000 0.881 261 V N 1.280 121.446 119.914 0.419 0.000 2.270 261 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 261 V C 1.867 177.999 176.094 0.065 0.000 1.043 261 V CA 2.238 64.745 62.300 0.345 0.000 1.014 261 V CB -1.676 30.362 31.823 0.359 0.000 0.645 261 V HN 0.489 nan 8.190 nan 0.000 0.447 262 D N 2.433 122.683 120.400 -0.251 0.000 2.158 262 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 262 D C 1.963 177.942 176.300 -0.535 0.000 0.995 262 D CA 2.067 55.676 54.000 -0.650 0.000 0.846 262 D CB -0.471 40.135 40.800 -0.323 0.000 0.941 262 D HN 0.558 nan 8.370 nan 0.000 0.456 263 A N -0.220 122.310 122.820 -0.484 0.000 1.968 263 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 263 A C 2.066 179.421 177.584 -0.383 0.000 1.169 263 A CA 0.847 52.440 52.037 -0.740 0.000 0.638 263 A CB -1.141 17.734 19.000 -0.208 0.000 0.812 263 A HN 0.263 nan 8.150 nan 0.000 0.446 264 F N -0.589 119.123 119.950 -0.397 0.000 2.216 264 F HA -0.035 4.492 4.527 -0.000 0.000 0.300 264 F C 0.820 176.262 175.800 -0.596 0.000 1.085 264 F CA 1.130 58.760 58.000 -0.617 0.000 1.326 264 F CB -0.050 38.352 39.000 -0.996 0.000 1.027 264 F HN 0.176 nan 8.300 nan 0.000 0.497 265 F N 1.167 121.119 119.950 0.002 0.000 2.916 265 F HA 0.191 4.718 4.527 -0.000 0.000 0.294 265 F C 0.355 176.108 175.800 -0.079 0.000 1.189 265 F CA -0.572 57.436 58.000 0.014 0.000 1.369 265 F CB -0.653 38.490 39.000 0.240 0.000 0.961 265 F HN -0.108 nan 8.300 nan 0.000 0.508 266 D N 0.244 120.569 120.400 -0.125 0.000 2.733 266 D HA -0.301 4.339 4.640 -0.000 0.000 0.232 266 D C 0.156 176.543 176.300 0.144 0.000 1.161 266 D CA 0.906 54.869 54.000 -0.062 0.000 0.653 266 D CB -1.549 39.263 40.800 0.021 0.000 1.052 266 D HN 0.447 nan 8.370 nan 0.000 0.424 267 F N -2.918 117.160 119.950 0.214 0.000 3.067 267 F HA -0.377 4.150 4.527 -0.000 0.000 0.279 267 F C 2.377 178.314 175.800 0.228 0.000 0.945 267 F CA 0.563 58.721 58.000 0.263 0.000 0.948 267 F CB -2.668 36.435 39.000 0.171 0.000 0.898 267 F HN 0.453 nan 8.300 nan 0.000 0.746 268 C N -2.082 117.369 119.300 0.252 0.000 2.425 268 C HA -0.176 4.284 4.460 -0.000 0.000 0.277 268 C C 2.062 176.956 174.990 -0.160 0.000 1.280 268 C CA 1.123 60.103 59.018 -0.063 0.000 1.744 268 C CB -1.134 26.411 27.740 -0.324 0.000 1.989 268 C HN 0.529 nan 8.230 nan 0.000 0.491 269 Y N 2.810 123.142 120.300 0.052 0.000 2.532 269 Y HA 0.479 5.029 4.550 -0.000 0.000 0.283 269 Y C 1.556 177.524 175.900 0.115 0.000 1.181 269 Y CA 0.229 58.273 58.100 -0.092 0.000 1.256 269 Y CB -0.749 37.392 38.460 -0.532 0.000 1.112 269 Y HN 0.796 nan 8.280 nan 0.000 0.521 270 G N 0.402 109.414 108.800 0.353 0.000 2.710 270 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.668 270 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.668 270 G C -0.957 174.198 174.900 0.425 0.000 1.320 270 G CA -1.176 44.110 45.100 0.310 0.000 0.860 270 G HN 0.114 nan 8.290 nan 0.000 0.538 271 K N 0.040 120.609 120.400 0.282 0.000 2.383 271 K HA 0.476 4.796 4.320 -0.000 0.000 0.286 271 K C 0.595 177.359 176.600 0.272 0.000 1.051 271 K CA -0.438 56.022 56.287 0.288 0.000 0.974 271 K CB 0.477 33.039 32.500 0.104 0.000 0.968 271 K HN 0.613 nan 8.250 nan 0.000 0.475 272 L N 7.841 129.239 121.223 0.292 0.000 2.315 272 L HA 0.319 4.659 4.340 -0.000 0.000 0.283 272 L C -2.065 174.837 176.870 0.054 0.000 1.089 272 L CA -2.064 52.845 54.840 0.115 0.000 0.833 272 L CB 0.973 43.008 42.059 -0.041 0.000 1.170 272 L HN 0.580 nan 8.230 nan 0.000 0.442 273 P HA 0.016 nan 4.420 nan 0.000 0.263 273 P C -1.657 175.648 177.300 0.009 0.000 1.195 273 P CA 0.673 63.830 63.100 0.096 0.000 0.762 273 P CB 0.078 31.851 31.700 0.122 0.000 0.799 274 Y N 2.004 122.453 120.300 0.248 0.000 2.329 274 Y HA 0.397 4.947 4.550 -0.000 0.000 0.328 274 Y C 0.815 176.824 175.900 0.181 0.000 0.992 274 Y CA -1.148 57.083 58.100 0.219 0.000 1.151 274 Y CB 1.754 40.319 38.460 0.176 0.000 1.150 274 Y HN 0.171 nan 8.280 nan 0.000 0.450 275 R N 1.616 122.338 120.500 0.370 0.000 2.641 275 R HA 0.490 4.830 4.340 -0.000 0.000 0.269 275 R C -0.353 176.115 176.300 0.280 0.000 1.074 275 R CA 0.202 56.461 56.100 0.265 0.000 1.133 275 R CB 0.932 31.335 30.300 0.172 0.000 1.029 275 R HN 0.614 nan 8.270 nan 0.000 0.488 276 S N 1.994 117.802 115.700 0.181 0.000 2.704 276 S HA 0.763 5.233 4.470 -0.000 0.000 0.296 276 S C -1.516 173.206 174.600 0.204 0.000 1.138 276 S CA -0.794 57.515 58.200 0.181 0.000 0.875 276 S CB 0.742 63.958 63.200 0.027 0.000 1.151 276 S HN 0.402 nan 8.310 nan 0.000 0.500 277 L N 1.534 122.930 121.223 0.289 0.000 2.393 277 L HA 0.609 4.949 4.340 -0.000 0.000 0.260 277 L C -0.687 176.080 176.870 -0.172 0.000 1.002 277 L CA -0.641 54.202 54.840 0.005 0.000 0.818 277 L CB 2.190 44.166 42.059 -0.139 0.000 1.369 277 L HN 0.705 nan 8.230 nan 0.000 0.412 278 E N 1.337 121.382 120.200 -0.258 0.000 2.183 278 E HA 0.540 4.890 4.350 -0.000 0.000 0.271 278 E C -1.818 174.593 176.600 -0.315 0.000 0.919 278 E CA -0.559 55.725 56.400 -0.194 0.000 0.781 278 E CB 1.415 31.091 29.700 -0.039 0.000 1.140 278 E HN 0.346 nan 8.360 nan 0.000 0.402 279 F N 3.051 123.111 119.950 0.183 0.000 2.427 279 F HA 0.461 4.987 4.527 -0.000 0.000 0.348 279 F C 0.253 176.051 175.800 -0.002 0.000 1.125 279 F CA -0.921 57.120 58.000 0.068 0.000 0.989 279 F CB 1.524 40.506 39.000 -0.029 0.000 1.165 279 F HN 0.217 nan 8.300 nan 0.000 0.442 280 R N 3.198 123.821 120.500 0.206 0.000 2.246 280 R HA 0.312 4.652 4.340 -0.000 0.000 0.332 280 R C -0.756 175.605 176.300 0.101 0.000 0.974 280 R CA -0.696 55.498 56.100 0.157 0.000 0.837 280 R CB 0.739 31.156 30.300 0.196 0.000 1.145 280 R HN 0.614 nan 8.270 nan 0.000 0.467 281 H N 2.274 121.464 119.070 0.199 0.000 2.502 281 H HA 0.285 4.841 4.556 -0.000 0.000 0.327 281 H C -0.197 175.188 175.328 0.096 0.000 1.099 281 H CA -0.028 56.110 56.048 0.150 0.000 1.323 281 H CB 1.716 31.530 29.762 0.085 0.000 1.450 281 H HN 0.516 nan 8.280 nan 0.000 0.502 282 E N 0.859 121.178 120.200 0.198 0.000 2.367 282 E HA 0.345 4.695 4.350 -0.000 0.000 0.273 282 E C -0.894 175.691 176.600 -0.026 0.000 0.903 282 E CA -0.851 55.574 56.400 0.042 0.000 0.764 282 E CB 2.296 32.000 29.700 0.007 0.000 1.252 282 E HN 0.396 nan 8.360 nan 0.000 0.446 283 T N 1.407 115.876 114.554 -0.143 0.000 2.812 283 T HA 0.395 4.745 4.350 -0.000 0.000 0.282 283 T C -1.096 173.457 174.700 -0.245 0.000 0.990 283 T CA -0.660 61.362 62.100 -0.130 0.000 0.960 283 T CB 0.532 69.347 68.868 -0.090 0.000 0.948 283 T HN 0.330 nan 8.240 nan 0.000 0.438 284 H N 0.785 119.850 119.070 -0.007 0.000 2.567 284 H HA 0.397 4.953 4.556 -0.000 0.000 0.345 284 H C -0.237 175.078 175.328 -0.020 0.000 1.169 284 H CA -0.679 55.368 56.048 -0.002 0.000 1.227 284 H CB 1.114 30.881 29.762 0.008 0.000 1.607 284 H HN 0.431 nan 8.280 nan 0.000 0.534 285 D N 1.224 121.704 120.400 0.133 0.000 2.741 285 D HA 0.151 4.791 4.640 -0.000 0.000 0.233 285 D C -0.780 175.565 176.300 0.074 0.000 1.160 285 D CA 0.131 54.172 54.000 0.069 0.000 1.003 285 D CB -0.182 40.662 40.800 0.073 0.000 1.064 285 D HN 0.464 nan 8.370 nan 0.000 0.503 286 T N -0.501 114.090 114.554 0.061 0.000 2.830 286 T HA 0.149 4.499 4.350 -0.000 0.000 0.322 286 T C 0.650 175.371 174.700 0.035 0.000 1.501 286 T CA -0.511 61.618 62.100 0.048 0.000 1.036 286 T CB 1.275 70.163 68.868 0.033 0.000 1.379 286 T HN 0.042 nan 8.240 nan 0.000 0.493 287 E N 0.532 120.752 120.200 0.033 0.000 2.072 287 E HA 0.001 4.351 4.350 -0.000 0.000 0.190 287 E C 0.586 177.184 176.600 -0.003 0.000 0.982 287 E CA 0.673 57.088 56.400 0.025 0.000 0.803 287 E CB 0.293 30.009 29.700 0.027 0.000 0.755 287 E HN 0.511 nan 8.360 nan 0.000 0.453 288 Q N 0.019 119.817 119.800 -0.004 0.000 2.331 288 Q HA 0.258 4.598 4.340 -0.000 0.000 0.272 288 Q C -0.497 175.503 176.000 0.000 0.000 1.062 288 Q CA -0.246 55.552 55.803 -0.008 0.000 0.806 288 Q CB 1.895 30.629 28.738 -0.008 0.000 1.312 288 Q HN 0.087 nan 8.270 nan 0.000 0.431 289 L N 3.315 124.544 121.223 0.010 0.000 2.653 289 L HA 0.454 4.794 4.340 -0.000 0.000 0.230 289 L C -0.948 175.913 176.870 -0.014 0.000 1.055 289 L CA 0.496 55.311 54.840 -0.041 0.000 0.880 289 L CB 0.960 42.960 42.059 -0.099 0.000 1.195 289 L HN 0.587 nan 8.230 nan 0.000 0.492 290 L N -0.320 120.936 121.223 0.054 0.000 2.333 290 L HA 0.432 4.772 4.340 -0.000 0.000 0.269 290 L C -1.746 175.144 176.870 0.033 0.000 1.010 290 L CA -1.792 53.050 54.840 0.002 0.000 0.818 290 L CB 1.175 43.181 42.059 -0.088 0.000 1.306 290 L HN -0.266 nan 8.230 nan 0.000 0.430 291 P HA -0.043 nan 4.420 nan 0.000 0.219 291 P C 0.189 177.386 177.300 -0.172 0.000 1.150 291 P CA 0.940 64.007 63.100 -0.055 0.000 0.814 291 P CB 0.241 31.899 31.700 -0.069 0.000 0.787 292 T N -6.699 107.615 114.554 -0.399 0.000 2.696 292 T HA 0.536 4.886 4.350 -0.000 0.000 0.291 292 T C 1.384 175.539 174.700 -0.907 0.000 1.095 292 T CA -0.200 61.507 62.100 -0.656 0.000 1.026 292 T CB 0.881 69.519 68.868 -0.383 0.000 1.390 292 T HN -0.085 nan 8.240 nan 0.000 0.513 293 G N 0.160 108.571 108.800 -0.647 0.000 2.422 293 G HA2 0.258 4.218 3.960 -0.000 0.000 0.218 293 G HA3 0.258 4.218 3.960 -0.000 0.000 0.218 293 G C 0.320 175.115 174.900 -0.176 0.000 1.146 293 G CA 0.901 45.842 45.100 -0.265 0.000 0.769 293 G HN 0.916 nan 8.290 nan 0.000 0.547 294 T N -0.677 113.728 114.554 -0.248 0.000 2.952 294 T HA 0.514 4.864 4.350 -0.000 0.000 0.305 294 T C -1.227 173.340 174.700 -0.222 0.000 1.064 294 T CA -0.462 61.534 62.100 -0.173 0.000 1.008 294 T CB 2.857 71.701 68.868 -0.039 0.000 1.078 294 T HN -0.076 nan 8.240 nan 0.000 0.459 295 V N 3.796 123.598 119.914 -0.188 0.000 2.444 295 V HA 0.475 4.595 4.120 -0.000 0.000 0.294 295 V C -0.452 175.484 176.094 -0.263 0.000 1.022 295 V CA -1.028 61.124 62.300 -0.248 0.000 0.850 295 V CB 1.725 33.394 31.823 -0.258 0.000 0.992 295 V HN 0.747 nan 8.190 nan 0.000 0.426 296 N N 2.790 121.330 118.700 -0.266 0.000 2.509 296 N HA 0.488 5.227 4.740 -0.000 0.000 0.287 296 N C -1.111 174.205 175.510 -0.324 0.000 1.121 296 N CA -0.243 52.748 53.050 -0.098 0.000 0.977 296 N CB 1.118 39.639 38.487 0.058 0.000 1.167 296 N HN 0.590 nan 8.380 nan 0.000 0.476 297 Y N 0.939 121.314 120.300 0.125 0.000 2.787 297 Y HA 0.309 4.859 4.550 -0.000 0.000 0.352 297 Y C -1.572 174.337 175.900 0.016 0.000 1.027 297 Y CA -1.564 56.572 58.100 0.060 0.000 1.219 297 Y CB 1.653 40.150 38.460 0.061 0.000 1.110 297 Y HN 0.524 nan 8.280 nan 0.000 0.614 298 P HA -0.065 nan 4.420 nan 0.000 0.219 298 P C 0.447 177.756 177.300 0.016 0.000 1.150 298 P CA 1.457 64.619 63.100 0.103 0.000 0.814 298 P CB 0.502 32.202 31.700 -0.000 0.000 0.787 299 N N -1.531 117.170 118.700 0.001 0.000 2.143 299 N HA 0.113 4.853 4.740 -0.000 0.000 0.222 299 N C -0.393 175.088 175.510 -0.047 0.000 1.264 299 N CA 0.235 53.263 53.050 -0.035 0.000 0.897 299 N CB 1.071 39.520 38.487 -0.063 0.000 1.092 299 N HN 0.182 nan 8.380 nan 0.000 0.516 300 D N -0.007 120.392 120.400 -0.000 0.000 2.645 300 D HA 0.346 4.986 4.640 -0.000 0.000 0.228 300 D C -0.523 175.688 176.300 -0.148 0.000 1.148 300 D CA -0.204 53.727 54.000 -0.114 0.000 0.860 300 D CB 2.188 42.934 40.800 -0.091 0.000 1.548 300 D HN -0.158 nan 8.370 nan 0.000 0.460 301 Y N -0.590 119.471 120.300 -0.399 0.000 2.501 301 Y HA -0.293 4.257 4.550 -0.000 0.000 0.023 301 Y C 1.107 176.661 175.900 -0.577 0.000 1.697 301 Y CA 0.320 58.024 58.100 -0.660 0.000 1.423 301 Y CB -0.936 36.664 38.460 -1.433 0.000 2.068 301 Y HN 0.514 nan 8.280 nan 0.000 0.253 302 A N 0.219 122.829 122.820 -0.350 0.000 1.970 302 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 302 A C 0.353 177.760 177.584 -0.295 0.000 1.170 302 A CA 1.358 53.291 52.037 -0.174 0.000 0.645 302 A CB -0.712 18.358 19.000 0.117 0.000 0.816 302 A HN 0.652 nan 8.150 nan 0.000 0.447 303 Y N -1.017 119.050 120.300 -0.388 0.000 2.326 303 Y HA 0.420 4.970 4.550 -0.000 0.000 0.333 303 Y C 1.466 177.213 175.900 -0.255 0.000 1.240 303 Y CA -0.145 57.629 58.100 -0.544 0.000 1.365 303 Y CB -0.176 37.872 38.460 -0.688 0.000 1.289 303 Y HN 0.043 nan 8.280 nan 0.000 0.548 304 T N -1.099 113.400 114.554 -0.091 0.000 3.054 304 T HA 0.188 4.538 4.350 -0.000 0.000 0.259 304 T C 0.227 175.008 174.700 0.134 0.000 1.092 304 T CA 0.436 62.419 62.100 -0.196 0.000 1.121 304 T CB -0.232 68.343 68.868 -0.489 0.000 0.912 304 T HN 0.872 nan 8.240 nan 0.000 0.489 305 R N -0.599 120.053 120.500 0.253 0.000 2.765 305 R HA 0.577 4.917 4.340 -0.000 0.000 0.277 305 R C -2.340 173.996 176.300 0.060 0.000 1.028 305 R CA -1.044 55.214 56.100 0.264 0.000 0.860 305 R CB 0.977 31.364 30.300 0.146 0.000 1.270 305 R HN 0.015 nan 8.270 nan 0.000 0.484 306 V N 0.391 120.270 119.914 -0.059 0.000 2.715 306 V HA 0.728 4.848 4.120 -0.000 0.000 0.310 306 V C -0.261 175.653 176.094 -0.300 0.000 1.054 306 V CA -0.841 61.207 62.300 -0.420 0.000 0.928 306 V CB 1.874 33.337 31.823 -0.599 0.000 1.007 306 V HN 0.825 nan 8.190 nan 0.000 0.437 307 S N 1.540 117.012 115.700 -0.380 0.000 2.570 307 S HA 0.578 5.048 4.470 -0.000 0.000 0.286 307 S C -0.919 173.401 174.600 -0.468 0.000 1.099 307 S CA -0.669 57.306 58.200 -0.376 0.000 0.913 307 S CB 2.099 65.060 63.200 -0.399 0.000 1.085 307 S HN 0.884 nan 8.310 nan 0.000 0.480 308 E N 1.327 121.325 120.200 -0.337 0.000 2.182 308 E HA 0.353 4.703 4.350 -0.000 0.000 0.258 308 E C -0.479 176.012 176.600 -0.181 0.000 0.879 308 E CA -0.412 55.875 56.400 -0.189 0.000 0.754 308 E CB 0.467 30.236 29.700 0.117 0.000 1.162 308 E HN 0.589 nan 8.360 nan 0.000 0.419 309 F N 3.168 123.080 119.950 -0.062 0.000 2.365 309 F HA -0.060 4.467 4.527 -0.000 0.000 0.300 309 F C 1.939 177.658 175.800 -0.136 0.000 1.090 309 F CA 0.721 58.626 58.000 -0.158 0.000 1.408 309 F CB 0.085 38.914 39.000 -0.284 0.000 1.060 309 F HN 0.424 nan 8.300 nan 0.000 0.534 310 K N -0.611 119.805 120.400 0.026 0.000 2.148 310 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 310 K C 1.794 178.331 176.600 -0.105 0.000 1.050 310 K CA 1.049 57.300 56.287 -0.060 0.000 0.942 310 K CB -0.323 32.117 32.500 -0.101 0.000 0.724 310 K HN 0.356 nan 8.250 nan 0.000 0.446 311 H N 0.230 119.271 119.070 -0.048 0.000 2.421 311 H HA -0.072 4.484 4.556 -0.000 0.000 0.298 311 H C 2.008 177.210 175.328 -0.209 0.000 1.087 311 H CA 1.299 57.323 56.048 -0.040 0.000 1.330 311 H CB 0.098 29.873 29.762 0.020 0.000 1.388 311 H HN 0.200 nan 8.280 nan 0.000 0.526 312 I N 0.143 120.638 120.570 -0.126 0.000 2.731 312 I HA -0.126 4.044 4.170 -0.000 0.000 0.260 312 I C 2.491 178.385 176.117 -0.373 0.000 1.138 312 I CA 1.185 62.224 61.300 -0.435 0.000 1.461 312 I CB 0.079 38.081 38.000 0.003 0.000 1.128 312 I HN 0.226 nan 8.210 nan 0.000 0.438 313 T N -2.489 111.977 114.554 -0.146 0.000 3.031 313 T HA 0.218 4.568 4.350 -0.000 0.000 0.254 313 T C 1.684 176.339 174.700 -0.075 0.000 1.060 313 T CA 0.669 62.718 62.100 -0.085 0.000 1.135 313 T CB 0.344 69.178 68.868 -0.056 0.000 0.896 313 T HN 0.426 nan 8.240 nan 0.000 0.472 314 G N 1.287 110.040 108.800 -0.078 0.000 2.141 314 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.242 314 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.242 314 G C -0.158 174.739 174.900 -0.005 0.000 0.982 314 G CA 0.213 45.292 45.100 -0.035 0.000 0.662 314 G HN 0.914 nan 8.290 nan 0.000 0.527 315 Q N -0.003 119.794 119.800 -0.004 0.000 2.364 315 Q HA 0.397 4.737 4.340 -0.000 0.000 0.267 315 Q C 0.572 176.603 176.000 0.052 0.000 0.999 315 Q CA -0.392 55.434 55.803 0.037 0.000 0.886 315 Q CB 0.429 29.190 28.738 0.038 0.000 1.243 315 Q HN 0.490 nan 8.270 nan 0.000 0.415 316 R N 3.103 123.651 120.500 0.081 0.000 2.265 316 R HA 0.276 4.616 4.340 -0.000 0.000 0.319 316 R C -1.297 175.097 176.300 0.157 0.000 1.006 316 R CA -0.277 55.874 56.100 0.085 0.000 0.880 316 R CB 0.752 31.084 30.300 0.054 0.000 1.077 316 R HN 0.707 nan 8.270 nan 0.000 0.454 317 H N 2.682 121.776 119.070 0.040 0.000 3.064 317 H HA 0.058 4.614 4.556 -0.000 0.000 0.352 317 H C 0.090 175.465 175.328 0.078 0.000 1.260 317 H CA -0.464 55.627 56.048 0.071 0.000 1.160 317 H CB 1.279 31.056 29.762 0.026 0.000 1.879 317 H HN 0.919 nan 8.280 nan 0.000 0.544 318 H N 1.550 120.580 119.070 -0.067 0.000 2.502 318 H HA 0.149 4.705 4.556 -0.000 0.000 0.283 318 H C -0.241 175.187 175.328 0.166 0.000 1.015 318 H CA 0.204 56.270 56.048 0.029 0.000 1.298 318 H CB 0.901 30.634 29.762 -0.049 0.000 1.411 318 H HN 0.430 nan 8.280 nan 0.000 0.556 319 Q N 0.205 119.943 119.800 -0.103 0.000 2.427 319 Q HA 0.490 4.830 4.340 -0.000 0.000 0.232 319 Q C -0.676 175.313 176.000 -0.018 0.000 1.018 319 Q CA -0.822 54.921 55.803 -0.100 0.000 0.965 319 Q CB 2.264 30.862 28.738 -0.233 0.000 1.232 319 Q HN 0.178 nan 8.270 nan 0.000 0.510 320 T N -0.436 114.087 114.554 -0.051 0.000 2.923 320 T HA 0.455 4.805 4.350 -0.000 0.000 0.311 320 T C -1.521 173.173 174.700 -0.011 0.000 1.183 320 T CA -0.437 61.638 62.100 -0.043 0.000 1.020 320 T CB 1.564 70.436 68.868 0.006 0.000 1.165 320 T HN 0.429 nan 8.240 nan 0.000 0.482 321 S N 1.705 117.407 115.700 0.004 0.000 2.482 321 S HA 0.808 5.278 4.470 -0.000 0.000 0.303 321 S C -0.268 174.425 174.600 0.155 0.000 1.091 321 S CA -0.654 57.591 58.200 0.075 0.000 1.057 321 S CB 1.406 64.631 63.200 0.041 0.000 1.031 321 S HN 0.865 nan 8.310 nan 0.000 0.485 322 V N 0.449 120.447 119.914 0.141 0.000 3.155 322 V HA 0.979 5.099 4.120 -0.000 0.000 0.313 322 V C -0.739 175.398 176.094 0.071 0.000 1.162 322 V CA -0.813 61.488 62.300 0.002 0.000 1.048 322 V CB 1.754 33.523 31.823 -0.091 0.000 1.092 322 V HN 0.623 nan 8.190 nan 0.000 0.447 323 V N 1.376 121.199 119.914 -0.151 0.000 2.733 323 V HA 0.654 4.774 4.120 -0.000 0.000 0.306 323 V C -1.830 174.090 176.094 -0.290 0.000 1.084 323 V CA -0.376 61.859 62.300 -0.108 0.000 0.905 323 V CB 2.020 33.863 31.823 0.033 0.000 1.010 323 V HN 0.881 nan 8.190 nan 0.000 0.424 324 Y N 3.774 124.018 120.300 -0.094 0.000 2.330 324 Y HA 0.560 5.110 4.550 -0.000 0.000 0.336 324 Y C 0.574 176.449 175.900 -0.041 0.000 1.036 324 Y CA -0.338 57.644 58.100 -0.196 0.000 1.125 324 Y CB 1.673 39.919 38.460 -0.357 0.000 1.194 324 Y HN 0.574 nan 8.280 nan 0.000 0.469 325 E N 3.397 123.612 120.200 0.025 0.000 2.092 325 E HA 0.242 4.591 4.350 -0.000 0.000 0.271 325 E C -1.613 174.923 176.600 -0.106 0.000 0.919 325 E CA -0.664 55.752 56.400 0.025 0.000 0.760 325 E CB 0.852 30.600 29.700 0.080 0.000 1.106 325 E HN 0.492 nan 8.360 nan 0.000 0.408 326 Y N 3.140 123.415 120.300 -0.042 0.000 2.331 326 Y HA 0.280 4.830 4.550 -0.000 0.000 0.338 326 Y C -2.160 173.677 175.900 -0.104 0.000 0.976 326 Y CA -3.030 55.048 58.100 -0.036 0.000 1.137 326 Y CB 0.858 39.312 38.460 -0.010 0.000 1.172 326 Y HN 0.396 nan 8.280 nan 0.000 0.478 327 P HA 0.198 nan 4.420 nan 0.000 0.268 327 P C -0.374 176.926 177.300 0.001 0.000 1.205 327 P CA -0.110 62.954 63.100 -0.060 0.000 0.771 327 P CB 0.756 32.374 31.700 -0.137 0.000 0.858 328 R N 1.754 122.257 120.500 0.004 0.000 2.725 328 R HA 0.558 4.898 4.340 -0.000 0.000 0.277 328 R C 0.649 176.972 176.300 0.039 0.000 0.987 328 R CA -0.853 55.263 56.100 0.026 0.000 0.901 328 R CB 1.920 32.238 30.300 0.030 0.000 1.207 328 R HN 0.388 nan 8.270 nan 0.000 0.463 329 A N 1.451 124.298 122.820 0.044 0.000 1.903 329 A HA 0.021 4.341 4.320 -0.000 0.000 0.213 329 A C 0.282 177.904 177.584 0.064 0.000 1.185 329 A CA 1.100 53.175 52.037 0.062 0.000 0.628 329 A CB 0.058 19.092 19.000 0.057 0.000 0.830 329 A HN 0.554 nan 8.150 nan 0.000 0.446 330 E N -1.567 118.660 120.200 0.045 0.000 2.248 330 E HA 0.571 4.921 4.350 -0.000 0.000 0.272 330 E C 0.171 176.787 176.600 0.028 0.000 1.008 330 E CA 0.803 57.225 56.400 0.037 0.000 0.856 330 E CB 1.482 31.198 29.700 0.026 0.000 1.120 330 E HN 0.755 nan 8.360 nan 0.000 0.397 331 G N 1.817 110.625 108.800 0.013 0.000 2.353 331 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.424 331 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.424 331 G C -1.415 173.429 174.900 -0.094 0.000 1.320 331 G CA -1.122 43.970 45.100 -0.013 0.000 0.995 331 G HN 0.460 nan 8.290 nan 0.000 0.580 332 D N 1.631 121.924 120.400 -0.178 0.000 2.525 332 D HA 0.382 5.022 4.640 -0.000 0.000 0.235 332 D C -1.940 173.979 176.300 -0.634 0.000 1.137 332 D CA 0.065 53.855 54.000 -0.350 0.000 0.868 332 D CB 0.846 41.446 40.800 -0.333 0.000 1.180 332 D HN 0.168 nan 8.370 nan 0.000 0.465 333 P HA 0.049 nan 4.420 nan 0.000 0.271 333 P C -0.365 176.715 177.300 -0.365 0.000 1.233 333 P CA 0.401 63.298 63.100 -0.339 0.000 0.764 333 P CB 0.134 31.526 31.700 -0.513 0.000 0.825 334 Y N 0.909 121.239 120.300 0.051 0.000 2.585 334 Y HA 0.233 4.783 4.550 -0.000 0.000 0.272 334 Y C 0.248 176.012 175.900 -0.226 0.000 1.119 334 Y CA -0.266 57.791 58.100 -0.071 0.000 1.255 334 Y CB 0.490 38.946 38.460 -0.006 0.000 1.284 334 Y HN 0.205 nan 8.280 nan 0.000 0.499 335 Y N 1.398 121.814 120.300 0.194 0.000 2.331 335 Y HA 0.423 4.973 4.550 -0.000 0.000 0.334 335 Y C -2.644 173.350 175.900 0.156 0.000 0.960 335 Y CA -3.347 54.797 58.100 0.072 0.000 1.130 335 Y CB 1.180 39.633 38.460 -0.013 0.000 1.164 335 Y HN -0.195 nan 8.280 nan 0.000 0.458 336 P HA 0.072 nan 4.420 nan 0.000 0.269 336 P C -0.752 176.468 177.300 -0.134 0.000 1.215 336 P CA -0.144 62.699 63.100 -0.427 0.000 0.780 336 P CB 0.820 31.950 31.700 -0.950 0.000 0.898 337 V N 4.024 123.868 119.914 -0.117 0.000 2.250 337 V HA 0.217 4.337 4.120 -0.000 0.000 0.268 337 V C -2.208 173.863 176.094 -0.039 0.000 1.043 337 V CA -1.819 60.486 62.300 0.008 0.000 0.814 337 V CB 0.749 32.656 31.823 0.141 0.000 1.072 337 V HN 0.482 nan 8.190 nan 0.000 0.451 338 P HA 0.176 nan 4.420 nan 0.000 0.263 338 P C -0.185 177.081 177.300 -0.056 0.000 1.247 338 P CA 0.380 63.455 63.100 -0.041 0.000 0.876 338 P CB 0.007 31.687 31.700 -0.033 0.000 0.928 339 R N 2.813 123.317 120.500 0.008 0.000 2.663 339 R HA 0.415 4.755 4.340 -0.000 0.000 0.267 339 R C -2.787 173.530 176.300 0.027 0.000 1.038 339 R CA -1.958 54.140 56.100 -0.003 0.000 0.886 339 R CB 0.067 30.355 30.300 -0.020 0.000 1.249 339 R HN -0.100 nan 8.270 nan 0.000 0.463 340 P HA -0.333 nan 4.420 nan 0.000 0.219 340 P C 0.898 178.211 177.300 0.022 0.000 1.161 340 P CA 2.341 65.451 63.100 0.017 0.000 0.909 340 P CB 0.072 31.775 31.700 0.006 0.000 0.793 341 E N -1.364 118.849 120.200 0.021 0.000 2.150 341 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 341 E C 1.493 178.110 176.600 0.028 0.000 0.985 341 E CA 1.105 57.517 56.400 0.020 0.000 0.814 341 E CB -0.849 28.864 29.700 0.022 0.000 0.752 341 E HN 0.212 nan 8.360 nan 0.000 0.466 342 N N 1.221 119.951 118.700 0.051 0.000 2.333 342 N HA 0.025 4.765 4.740 -0.000 0.000 0.178 342 N C 1.765 177.308 175.510 0.056 0.000 1.018 342 N CA 1.272 54.358 53.050 0.059 0.000 0.882 342 N CB -0.206 38.369 38.487 0.146 0.000 0.984 342 N HN 0.332 nan 8.380 nan 0.000 0.434 343 A N 1.075 123.953 122.820 0.096 0.000 1.902 343 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 343 A C 2.176 179.813 177.584 0.089 0.000 1.181 343 A CA 1.484 53.597 52.037 0.126 0.000 0.623 343 A CB -0.517 18.543 19.000 0.100 0.000 0.818 343 A HN 0.342 nan 8.150 nan 0.000 0.443 344 E N -0.380 119.836 120.200 0.027 0.000 2.031 344 E HA -0.143 4.206 4.350 -0.000 0.000 0.193 344 E C 1.995 178.554 176.600 -0.067 0.000 0.994 344 E CA 1.004 57.388 56.400 -0.027 0.000 0.800 344 E CB -0.220 29.458 29.700 -0.037 0.000 0.752 344 E HN 0.543 nan 8.360 nan 0.000 0.447 345 L N 0.408 121.605 121.223 -0.044 0.000 2.042 345 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 345 L C 2.473 179.333 176.870 -0.018 0.000 1.076 345 L CA 1.754 56.562 54.840 -0.053 0.000 0.749 345 L CB -0.397 41.672 42.059 0.017 0.000 0.893 345 L HN 0.377 nan 8.230 nan 0.000 0.432 346 Y N 0.931 121.148 120.300 -0.138 0.000 2.181 346 Y HA -0.282 4.268 4.550 -0.000 0.000 0.288 346 Y C 2.499 178.364 175.900 -0.060 0.000 1.146 346 Y CA 1.707 59.729 58.100 -0.131 0.000 1.164 346 Y CB -0.262 37.985 38.460 -0.356 0.000 0.982 346 Y HN 0.058 nan 8.280 nan 0.000 0.515 347 K N 0.427 120.655 120.400 -0.287 0.000 2.113 347 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 347 K C 2.068 178.416 176.600 -0.420 0.000 1.047 347 K CA 2.016 58.080 56.287 -0.371 0.000 0.928 347 K CB -0.161 32.230 32.500 -0.183 0.000 0.716 347 K HN 0.380 nan 8.250 nan 0.000 0.446 348 K N -0.068 120.067 120.400 -0.442 0.000 2.032 348 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 348 K C 2.176 178.447 176.600 -0.548 0.000 1.048 348 K CA 1.807 57.694 56.287 -0.666 0.000 0.927 348 K CB -0.311 31.525 32.500 -1.107 0.000 0.712 348 K HN 0.230 nan 8.250 nan 0.000 0.441 349 Y N 1.269 121.379 120.300 -0.317 0.000 2.163 349 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 349 Y C 2.632 178.265 175.900 -0.444 0.000 1.136 349 Y CA 1.335 59.288 58.100 -0.245 0.000 1.147 349 Y CB -0.154 38.283 38.460 -0.038 0.000 0.987 349 Y HN 0.223 nan 8.280 nan 0.000 0.509 350 E N 0.468 120.331 120.200 -0.561 0.000 2.147 350 E HA -0.311 4.039 4.350 -0.000 0.000 0.199 350 E C 2.250 178.642 176.600 -0.348 0.000 1.005 350 E CA 1.180 57.234 56.400 -0.576 0.000 0.810 350 E CB -0.206 29.019 29.700 -0.792 0.000 0.736 350 E HN 0.462 nan 8.360 nan 0.000 0.460 351 A N 0.990 123.616 122.820 -0.323 0.000 1.877 351 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 351 A C 2.224 179.679 177.584 -0.216 0.000 1.186 351 A CA 1.399 53.296 52.037 -0.233 0.000 0.620 351 A CB -0.700 18.163 19.000 -0.229 0.000 0.822 351 A HN 0.326 nan 8.150 nan 0.000 0.443 352 L N -0.859 120.173 121.223 -0.317 0.000 2.046 352 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 352 L C 3.128 179.892 176.870 -0.178 0.000 1.077 352 L CA 1.153 55.744 54.840 -0.415 0.000 0.747 352 L CB -0.736 40.635 42.059 -1.147 0.000 0.896 352 L HN 0.463 nan 8.230 nan 0.000 0.432 353 A N 0.073 122.758 122.820 -0.225 0.000 1.877 353 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 353 A C 1.920 179.430 177.584 -0.123 0.000 1.186 353 A CA 2.005 53.846 52.037 -0.326 0.000 0.620 353 A CB -0.571 17.794 19.000 -1.059 0.000 0.822 353 A HN 0.360 nan 8.150 nan 0.000 0.443 354 D N 0.037 120.367 120.400 -0.117 0.000 2.178 354 D HA -0.051 4.589 4.640 -0.000 0.000 0.201 354 D C 2.089 178.414 176.300 0.041 0.000 0.980 354 D CA 1.397 55.388 54.000 -0.016 0.000 0.842 354 D CB -0.312 40.464 40.800 -0.039 0.000 0.948 354 D HN 0.460 nan 8.370 nan 0.000 0.472 355 A N 0.990 123.830 122.820 0.032 0.000 1.929 355 A HA 0.194 4.514 4.320 -0.000 0.000 0.216 355 A C 1.515 179.184 177.584 0.143 0.000 1.176 355 A CA 0.782 52.859 52.037 0.068 0.000 0.628 355 A CB -0.481 18.542 19.000 0.037 0.000 0.816 355 A HN 0.186 nan 8.150 nan 0.000 0.444 356 A N 0.720 123.675 122.820 0.225 0.000 2.532 356 A HA 0.134 4.454 4.320 -0.000 0.000 0.269 356 A C 1.226 178.956 177.584 0.243 0.000 1.079 356 A CA 0.093 52.317 52.037 0.312 0.000 0.800 356 A CB -0.108 19.188 19.000 0.493 0.000 1.000 356 A HN 0.550 nan 8.150 nan 0.000 0.522 357 Q N 1.550 121.466 119.800 0.194 0.000 1.967 357 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 357 Q C 0.281 176.406 176.000 0.208 0.000 0.985 357 Q CA 1.699 57.605 55.803 0.171 0.000 0.839 357 Q CB -0.050 28.766 28.738 0.129 0.000 0.906 357 Q HN 0.842 nan 8.270 nan 0.000 0.423 358 D N 0.302 120.799 120.400 0.161 0.000 2.395 358 D HA 0.117 4.757 4.640 -0.000 0.000 0.226 358 D C -0.505 175.645 176.300 -0.250 0.000 1.146 358 D CA 0.117 54.190 54.000 0.121 0.000 0.830 358 D CB 0.812 41.672 40.800 0.099 0.000 0.958 358 D HN -0.066 nan 8.370 nan 0.000 0.501 359 V N 0.834 120.695 119.914 -0.088 0.000 2.482 359 V HA 0.217 4.337 4.120 -0.000 0.000 0.295 359 V C 0.185 176.283 176.094 0.007 0.000 1.026 359 V CA -0.590 61.572 62.300 -0.231 0.000 0.856 359 V CB 2.158 33.868 31.823 -0.187 0.000 1.001 359 V HN -0.112 nan 8.190 nan 0.000 0.424 360 T N 5.583 120.141 114.554 0.008 0.000 2.795 360 T HA 0.653 5.003 4.350 -0.000 0.000 0.282 360 T C -0.613 174.117 174.700 0.050 0.000 0.980 360 T CA -0.055 62.191 62.100 0.244 0.000 1.012 360 T CB 0.543 69.646 68.868 0.391 0.000 0.936 360 T HN 0.278 nan 8.240 nan 0.000 0.457 361 F N 2.439 122.427 119.950 0.064 0.000 2.420 361 F HA 0.682 5.209 4.527 -0.000 0.000 0.342 361 F C 0.297 176.153 175.800 0.093 0.000 1.113 361 F CA -0.860 57.179 58.000 0.064 0.000 1.059 361 F CB 1.391 40.439 39.000 0.080 0.000 1.128 361 F HN 0.215 nan 8.300 nan 0.000 0.475 362 V N 2.364 122.394 119.914 0.193 0.000 2.969 362 V HA 0.911 5.031 4.120 -0.000 0.000 0.304 362 V C -0.521 175.645 176.094 0.121 0.000 1.192 362 V CA 0.246 62.643 62.300 0.162 0.000 0.962 362 V CB 1.500 33.396 31.823 0.120 0.000 1.045 362 V HN 1.214 nan 8.190 nan 0.000 0.428 363 G N 4.850 113.747 108.800 0.163 0.000 2.440 363 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.684 363 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.684 363 G C 0.089 175.078 174.900 0.148 0.000 1.309 363 G CA 0.183 45.373 45.100 0.151 0.000 0.931 363 G HN 1.305 nan 8.290 nan 0.000 0.612 364 R N -0.368 120.217 120.500 0.142 0.000 2.091 364 R HA 0.014 4.354 4.340 -0.000 0.000 0.238 364 R C 2.170 178.508 176.300 0.064 0.000 1.136 364 R CA 2.068 58.218 56.100 0.083 0.000 0.959 364 R CB -0.337 30.024 30.300 0.102 0.000 0.856 364 R HN 0.545 nan 8.270 nan 0.000 0.437 365 L N -0.083 121.177 121.223 0.061 0.000 2.095 365 L HA 0.054 4.394 4.340 -0.000 0.000 0.204 365 L C 2.732 179.735 176.870 0.223 0.000 1.080 365 L CA 0.986 55.869 54.840 0.071 0.000 0.759 365 L CB -0.559 41.429 42.059 -0.118 0.000 0.914 365 L HN 0.290 nan 8.230 nan 0.000 0.439 366 A N 0.001 122.935 122.820 0.190 0.000 2.015 366 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 366 A C 2.119 179.951 177.584 0.415 0.000 1.163 366 A CA 2.011 54.260 52.037 0.352 0.000 0.646 366 A CB -0.588 18.576 19.000 0.275 0.000 0.806 366 A HN 0.505 nan 8.150 nan 0.000 0.448 367 T N -7.527 107.189 114.554 0.270 0.000 3.084 367 T HA 0.221 4.571 4.350 -0.000 0.000 0.270 367 T C 0.219 174.882 174.700 -0.062 0.000 1.008 367 T CA 0.169 62.396 62.100 0.212 0.000 0.900 367 T CB -0.397 68.573 68.868 0.171 0.000 1.084 367 T HN 0.704 nan 8.240 nan 0.000 0.538 368 Y N 2.289 122.487 120.300 -0.171 0.000 3.001 368 Y HA -0.252 4.298 4.550 -0.000 0.000 0.187 368 Y C -0.469 175.233 175.900 -0.330 0.000 1.462 368 Y CA 0.091 58.014 58.100 -0.295 0.000 0.936 368 Y CB -1.622 36.377 38.460 -0.769 0.000 1.337 368 Y HN 0.479 nan 8.280 nan 0.000 0.428 369 R N 1.949 122.264 120.500 -0.307 0.000 2.532 369 R HA 0.240 4.580 4.340 -0.000 0.000 0.297 369 R C -0.974 175.195 176.300 -0.219 0.000 0.984 369 R CA -1.211 54.646 56.100 -0.405 0.000 0.884 369 R CB 0.990 30.778 30.300 -0.853 0.000 1.182 369 R HN 0.172 nan 8.270 nan 0.000 0.442 370 Y N 4.051 124.247 120.300 -0.173 0.000 2.641 370 Y HA -0.023 4.527 4.550 -0.000 0.000 0.338 370 Y C -0.914 175.083 175.900 0.162 0.000 1.203 370 Y CA -0.068 58.055 58.100 0.039 0.000 1.954 370 Y CB -0.443 38.088 38.460 0.119 0.000 1.960 370 Y HN 0.359 nan 8.280 nan 0.000 0.417 371 Y N 2.275 122.731 120.300 0.259 0.000 2.361 371 Y HA 0.284 4.834 4.550 -0.000 0.000 0.332 371 Y C 0.680 176.633 175.900 0.088 0.000 1.101 371 Y CA -1.707 56.466 58.100 0.122 0.000 1.137 371 Y CB 0.816 39.313 38.460 0.061 0.000 1.207 371 Y HN 0.348 nan 8.280 nan 0.000 0.463 372 N N 2.030 120.796 118.700 0.110 0.000 2.364 372 N HA 0.194 4.934 4.740 -0.000 0.000 0.264 372 N C 1.276 176.684 175.510 -0.170 0.000 1.263 372 N CA -0.196 52.818 53.050 -0.059 0.000 0.959 372 N CB 0.504 38.846 38.487 -0.241 0.000 1.204 372 N HN 0.630 nan 8.380 nan 0.000 0.550 373 M N 0.311 119.751 119.600 -0.266 0.000 2.067 373 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 373 M C 1.500 177.544 176.300 -0.427 0.000 1.069 373 M CA 1.521 56.544 55.300 -0.462 0.000 1.117 373 M CB -0.428 31.877 32.600 -0.492 0.000 1.334 373 M HN 0.554 nan 8.290 nan 0.000 0.407 374 D N 0.237 120.415 120.400 -0.370 0.000 2.149 374 D HA -0.230 4.410 4.640 -0.000 0.000 0.198 374 D C 1.687 177.829 176.300 -0.263 0.000 0.990 374 D CA 1.612 55.463 54.000 -0.248 0.000 0.839 374 D CB -0.741 39.794 40.800 -0.441 0.000 0.948 374 D HN 0.523 nan 8.370 nan 0.000 0.460 375 Q N 0.372 119.944 119.800 -0.380 0.000 2.050 375 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 375 Q C 2.742 178.461 176.000 -0.469 0.000 0.980 375 Q CA 1.223 56.705 55.803 -0.535 0.000 0.840 375 Q CB -0.134 28.093 28.738 -0.852 0.000 0.898 375 Q HN 0.200 nan 8.270 nan 0.000 0.424 376 V N 0.687 120.429 119.914 -0.286 0.000 2.324 376 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 376 V C 2.315 178.398 176.094 -0.017 0.000 1.060 376 V CA 1.572 63.847 62.300 -0.042 0.000 1.042 376 V CB -0.545 31.313 31.823 0.058 0.000 0.650 376 V HN 0.195 nan 8.190 nan 0.000 0.450 377 V N 0.145 120.027 119.914 -0.053 0.000 2.287 377 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 377 V C 2.697 178.764 176.094 -0.045 0.000 1.053 377 V CA 2.164 64.475 62.300 0.018 0.000 1.027 377 V CB -1.209 30.661 31.823 0.079 0.000 0.646 377 V HN 0.579 nan 8.190 nan 0.000 0.447 378 A N -0.740 122.030 122.820 -0.083 0.000 1.865 378 A HA -0.352 3.968 4.320 -0.000 0.000 0.217 378 A C 2.276 179.834 177.584 -0.045 0.000 1.191 378 A CA 2.352 54.340 52.037 -0.081 0.000 0.623 378 A CB -0.739 18.195 19.000 -0.110 0.000 0.826 378 A HN 0.605 nan 8.150 nan 0.000 0.444 379 Q N -0.634 119.144 119.800 -0.037 0.000 2.152 379 Q HA -0.200 4.140 4.340 -0.000 0.000 0.206 379 Q C 2.147 178.185 176.000 0.064 0.000 0.985 379 Q CA 1.851 57.684 55.803 0.051 0.000 0.863 379 Q CB -0.345 28.479 28.738 0.142 0.000 0.904 379 Q HN 0.636 nan 8.270 nan 0.000 0.422 380 A N 0.604 123.450 122.820 0.044 0.000 1.873 380 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 380 A C 2.050 179.652 177.584 0.030 0.000 1.186 380 A CA 1.188 53.250 52.037 0.042 0.000 0.616 380 A CB -0.706 18.314 19.000 0.034 0.000 0.823 380 A HN 0.430 nan 8.150 nan 0.000 0.442 381 L N -0.581 120.622 121.223 -0.033 0.000 1.989 381 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 381 L C 3.125 180.044 176.870 0.082 0.000 1.071 381 L CA 1.294 56.121 54.840 -0.023 0.000 0.749 381 L CB -0.686 41.291 42.059 -0.137 0.000 0.890 381 L HN 0.435 nan 8.230 nan 0.000 0.431 382 A N -0.517 122.328 122.820 0.043 0.000 1.908 382 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 382 A C 2.371 179.990 177.584 0.059 0.000 1.181 382 A CA 2.454 54.519 52.037 0.045 0.000 0.627 382 A CB -1.016 18.007 19.000 0.038 0.000 0.818 382 A HN 0.408 nan 8.150 nan 0.000 0.445 383 T N -0.813 113.791 114.554 0.084 0.000 2.759 383 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 383 T C 1.569 176.329 174.700 0.099 0.000 1.042 383 T CA 1.617 63.773 62.100 0.093 0.000 1.140 383 T CB -0.386 68.547 68.868 0.110 0.000 0.864 383 T HN 0.520 nan 8.240 nan 0.000 0.455 384 F N 2.512 122.444 119.950 -0.031 0.000 2.134 384 F HA -0.055 4.472 4.527 -0.000 0.000 0.299 384 F C 2.275 178.061 175.800 -0.023 0.000 1.097 384 F CA 1.122 59.094 58.000 -0.046 0.000 1.264 384 F CB -0.239 38.721 39.000 -0.067 0.000 1.001 384 F HN -0.030 nan 8.300 nan 0.000 0.479 385 R N 0.225 120.607 120.500 -0.197 0.000 2.081 385 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 385 R C 2.338 178.509 176.300 -0.214 0.000 1.131 385 R CA 1.601 57.532 56.100 -0.280 0.000 0.960 385 R CB -0.554 29.691 30.300 -0.092 0.000 0.856 385 R HN 0.322 nan 8.270 nan 0.000 0.436 386 R N 0.570 121.007 120.500 -0.106 0.000 2.083 386 R HA -0.103 4.237 4.340 -0.000 0.000 0.237 386 R C 1.994 178.241 176.300 -0.089 0.000 1.137 386 R CA 1.051 57.111 56.100 -0.066 0.000 0.951 386 R CB -0.493 29.801 30.300 -0.010 0.000 0.851 386 R HN 0.056 nan 8.270 nan 0.000 0.434 387 L N 1.155 122.319 121.223 -0.099 0.000 2.642 387 L HA -0.146 4.194 4.340 -0.000 0.000 0.236 387 L C 1.763 178.549 176.870 -0.141 0.000 1.169 387 L CA 1.560 56.351 54.840 -0.081 0.000 0.851 387 L CB -0.305 41.744 42.059 -0.017 0.000 0.968 387 L HN 0.236 nan 8.230 nan 0.000 0.453 388 Q N -1.813 117.843 119.800 -0.240 0.000 2.527 388 Q HA 0.426 4.766 4.340 -0.000 0.000 0.252 388 Q C 0.921 176.825 176.000 -0.159 0.000 0.827 388 Q CA 0.797 56.446 55.803 -0.257 0.000 0.979 388 Q CB 1.251 29.668 28.738 -0.535 0.000 1.248 388 Q HN 0.259 nan 8.270 nan 0.000 0.578 389 G N 0.000 108.710 108.800 -0.150 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 45.047 45.100 -0.089 0.000 0.502 389 G HN 0.000 nan 8.290 nan 0.000 0.925