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_G 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 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 0.000 174.607 174.900 -0.489 0.000 0.946 29 G CA 0.000 44.966 45.100 -0.224 0.000 0.502 30 F N 0.120 120.146 119.950 0.126 0.000 2.565 30 F HA 0.437 4.964 4.527 0.000 0.000 0.313 30 F C 0.480 176.362 175.800 0.136 0.000 1.091 30 F CA -0.737 57.344 58.000 0.136 0.000 0.915 30 F CB 2.490 41.581 39.000 0.151 0.000 1.208 30 F HN 0.337 nan 8.300 nan 0.000 0.453 31 D N 0.677 121.260 120.400 0.305 0.000 2.224 31 D HA -0.089 4.551 4.640 0.000 0.000 0.205 31 D C -0.506 175.836 176.300 0.070 0.000 0.965 31 D CA 1.828 55.937 54.000 0.182 0.000 0.852 31 D CB 0.027 40.974 40.800 0.244 0.000 0.947 31 D HN 0.327 nan 8.370 nan 0.000 0.494 32 Y N -1.037 119.423 120.300 0.267 0.000 2.534 32 Y HA 0.403 4.953 4.550 0.000 0.000 0.345 32 Y C -0.966 174.986 175.900 0.087 0.000 1.031 32 Y CA -1.321 56.902 58.100 0.206 0.000 1.022 32 Y CB 2.116 40.659 38.460 0.138 0.000 1.292 32 Y HN -0.290 nan 8.280 nan 0.000 0.459 33 L N 4.885 126.172 121.223 0.107 0.000 2.342 33 L HA 0.662 5.002 4.340 0.000 0.000 0.276 33 L C -1.641 175.123 176.870 -0.177 0.000 0.997 33 L CA -0.453 54.241 54.840 -0.244 0.000 0.838 33 L CB 0.610 42.165 42.059 -0.841 0.000 1.224 33 L HN 0.508 nan 8.230 nan 0.000 0.416 34 I N 5.967 126.441 120.570 -0.160 0.000 2.339 34 I HA 0.361 4.531 4.170 0.000 0.000 0.290 34 I C -0.564 175.442 176.117 -0.186 0.000 0.994 34 I CA -0.955 60.264 61.300 -0.135 0.000 1.191 34 I CB 1.782 39.723 38.000 -0.098 0.000 1.343 34 I HN 0.269 nan 8.210 nan 0.000 0.458 35 V N 5.559 125.349 119.914 -0.206 0.000 2.348 35 V HA 0.717 4.837 4.120 0.000 0.000 0.270 35 V C 0.542 176.479 176.094 -0.261 0.000 1.037 35 V CA -0.395 61.776 62.300 -0.216 0.000 0.872 35 V CB 0.477 32.156 31.823 -0.239 0.000 1.002 35 V HN 1.076 nan 8.190 nan 0.000 0.464 36 G N 4.100 112.767 108.800 -0.222 0.000 3.355 36 G HA2 0.267 4.227 3.960 0.000 0.000 0.686 36 G HA3 0.267 4.227 3.960 0.000 0.000 0.686 36 G C -0.030 174.738 174.900 -0.220 0.000 1.097 36 G CA -0.248 44.708 45.100 -0.241 0.000 0.881 36 G HN 1.414 nan 8.290 nan 0.000 0.550 37 A N 1.835 124.502 122.820 -0.255 0.000 2.507 37 A HA 0.738 5.058 4.320 0.000 0.000 0.270 37 A C 1.680 179.052 177.584 -0.353 0.000 1.318 37 A CA 1.304 53.184 52.037 -0.261 0.000 0.924 37 A CB -0.217 18.617 19.000 -0.276 0.000 1.061 37 A HN 2.150 nan 8.150 nan 0.000 0.516 38 G N -0.917 107.699 108.800 -0.307 0.000 2.447 38 G HA2 0.284 4.244 3.960 0.000 0.000 0.269 38 G HA3 0.284 4.244 3.960 0.000 0.000 0.269 38 G C 0.668 175.510 174.900 -0.097 0.000 1.455 38 G CA -0.172 44.729 45.100 -0.332 0.000 1.061 38 G HN 0.201 nan 8.290 nan 0.000 0.545 39 F N 0.796 120.833 119.950 0.145 0.000 2.113 39 F HA -0.022 4.505 4.527 0.000 0.000 0.297 39 F C 3.094 178.976 175.800 0.136 0.000 1.103 39 F CA 1.648 59.819 58.000 0.285 0.000 1.248 39 F CB -0.359 38.780 39.000 0.231 0.000 0.999 39 F HN 0.349 nan 8.300 nan 0.000 0.475 40 A N 0.496 123.473 122.820 0.263 0.000 1.859 40 A HA -0.221 4.099 4.320 0.000 0.000 0.218 40 A C 2.514 180.138 177.584 0.066 0.000 1.209 40 A CA 2.297 54.418 52.037 0.139 0.000 0.639 40 A CB -1.704 17.349 19.000 0.087 0.000 0.835 40 A HN 0.428 nan 8.150 nan 0.000 0.450 41 G N -1.578 107.223 108.800 0.003 0.000 2.418 41 G HA2 -0.096 3.864 3.960 0.000 0.000 0.217 41 G HA3 -0.096 3.864 3.960 0.000 0.000 0.217 41 G C 1.835 176.713 174.900 -0.037 0.000 1.158 41 G CA 1.325 46.396 45.100 -0.049 0.000 0.771 41 G HN 0.495 nan 8.290 nan 0.000 0.545 42 S N -0.328 115.378 115.700 0.010 0.000 2.402 42 S HA -0.061 4.409 4.470 0.000 0.000 0.229 42 S C 2.503 177.093 174.600 -0.016 0.000 1.021 42 S CA 0.918 59.129 58.200 0.018 0.000 0.974 42 S CB -0.096 63.213 63.200 0.181 0.000 0.800 42 S HN 0.179 nan 8.310 nan 0.000 0.484 43 V N 1.695 121.639 119.914 0.051 0.000 2.307 43 V HA -0.117 4.003 4.120 0.000 0.000 0.245 43 V C 2.134 178.178 176.094 -0.083 0.000 1.045 43 V CA 1.454 63.783 62.300 0.049 0.000 1.024 43 V CB -0.537 31.360 31.823 0.123 0.000 0.651 43 V HN 0.388 nan 8.190 nan 0.000 0.449 44 L N -0.060 121.107 121.223 -0.094 0.000 2.056 44 L HA -0.127 4.213 4.340 0.000 0.000 0.207 44 L C 2.689 179.428 176.870 -0.219 0.000 1.078 44 L CA 1.546 56.283 54.840 -0.171 0.000 0.749 44 L CB -0.716 41.280 42.059 -0.105 0.000 0.901 44 L HN 0.337 nan 8.230 nan 0.000 0.433 45 A N -0.547 122.181 122.820 -0.153 0.000 1.908 45 A HA -0.268 4.052 4.320 0.000 0.000 0.218 45 A C 2.327 179.821 177.584 -0.151 0.000 1.181 45 A CA 1.981 53.935 52.037 -0.139 0.000 0.627 45 A CB -0.528 18.409 19.000 -0.105 0.000 0.818 45 A HN 0.434 nan 8.150 nan 0.000 0.445 46 E N -0.082 120.019 120.200 -0.165 0.000 2.028 46 E HA -0.202 4.148 4.350 0.000 0.000 0.191 46 E C 2.258 178.742 176.600 -0.195 0.000 0.988 46 E CA 0.993 57.295 56.400 -0.163 0.000 0.799 46 E CB -0.291 29.288 29.700 -0.202 0.000 0.755 46 E HN 0.403 nan 8.360 nan 0.000 0.447 47 R N 0.226 120.515 120.500 -0.352 0.000 2.080 47 R HA -0.135 4.205 4.340 0.000 0.000 0.236 47 R C 2.502 178.411 176.300 -0.652 0.000 1.137 47 R CA 0.730 56.375 56.100 -0.758 0.000 0.943 47 R CB -1.080 28.281 30.300 -1.565 0.000 0.846 47 R HN 0.225 nan 8.270 nan 0.000 0.431 48 L N 0.556 121.509 121.223 -0.450 0.000 1.989 48 L HA -0.116 4.224 4.340 0.000 0.000 0.211 48 L C 2.485 179.334 176.870 -0.035 0.000 1.071 48 L CA 2.106 56.855 54.840 -0.153 0.000 0.749 48 L CB -1.407 40.478 42.059 -0.291 0.000 0.890 48 L HN 0.176 nan 8.230 nan 0.000 0.431 49 A N -1.046 121.740 122.820 -0.057 0.000 2.015 49 A HA -0.165 4.155 4.320 0.000 0.000 0.219 49 A C 2.476 180.070 177.584 0.017 0.000 1.163 49 A CA 1.639 53.680 52.037 0.007 0.000 0.646 49 A CB -0.708 18.291 19.000 -0.002 0.000 0.806 49 A HN 0.555 nan 8.150 nan 0.000 0.448 50 S N 0.338 116.032 115.700 -0.010 0.000 2.428 50 S HA -0.077 4.393 4.470 0.000 0.000 0.230 50 S C 1.437 176.074 174.600 0.062 0.000 1.014 50 S CA 1.245 59.458 58.200 0.022 0.000 0.957 50 S CB -0.632 62.576 63.200 0.014 0.000 0.784 50 S HN 0.830 nan 8.310 nan 0.000 0.499 51 S N -0.129 115.625 115.700 0.091 0.000 2.526 51 S HA 0.608 5.078 4.470 0.000 0.000 0.247 51 S C 1.265 175.935 174.600 0.116 0.000 1.076 51 S CA -0.045 58.235 58.200 0.134 0.000 1.105 51 S CB -0.364 62.975 63.200 0.232 0.000 0.793 51 S HN 1.310 nan 8.310 nan 0.000 0.458 52 G N 0.678 109.532 108.800 0.091 0.000 2.205 52 G HA2 -0.252 3.708 3.960 0.000 0.000 0.261 52 G HA3 -0.252 3.708 3.960 0.000 0.000 0.261 52 G C 0.007 174.972 174.900 0.107 0.000 0.980 52 G CA -0.104 45.048 45.100 0.087 0.000 0.632 52 G HN 0.550 nan 8.290 nan 0.000 0.533 53 Q N 0.459 120.341 119.800 0.135 0.000 2.332 53 Q HA 0.357 4.697 4.340 0.000 0.000 0.263 53 Q C 0.657 176.765 176.000 0.179 0.000 0.979 53 Q CA 0.036 55.954 55.803 0.190 0.000 0.885 53 Q CB 0.624 29.521 28.738 0.265 0.000 1.218 53 Q HN 0.447 nan 8.270 nan 0.000 0.405 54 R N 1.483 122.111 120.500 0.213 0.000 2.196 54 R HA 0.366 4.706 4.340 0.000 0.000 0.340 54 R C -0.727 175.798 176.300 0.374 0.000 1.043 54 R CA -0.322 55.923 56.100 0.243 0.000 0.883 54 R CB 0.661 31.066 30.300 0.176 0.000 1.078 54 R HN 0.286 nan 8.270 nan 0.000 0.462 55 V N 5.189 125.279 119.914 0.293 0.000 2.513 55 V HA 0.311 4.431 4.120 0.000 0.000 0.299 55 V C -0.440 175.678 176.094 0.041 0.000 1.035 55 V CA -0.949 61.468 62.300 0.196 0.000 0.889 55 V CB 1.820 33.686 31.823 0.072 0.000 0.988 55 V HN 0.490 nan 8.190 nan 0.000 0.440 56 L N 6.209 127.271 121.223 -0.268 0.000 2.295 56 L HA 0.608 4.948 4.340 0.000 0.000 0.281 56 L C -0.571 176.097 176.870 -0.337 0.000 1.018 56 L CA 0.122 54.612 54.840 -0.583 0.000 0.841 56 L CB 0.860 42.069 42.059 -1.417 0.000 1.218 56 L HN 0.674 nan 8.230 nan 0.000 0.424 57 I N 5.077 125.513 120.570 -0.223 0.000 2.385 57 I HA 0.570 4.740 4.170 0.000 0.000 0.294 57 I C -0.981 175.023 176.117 -0.188 0.000 0.988 57 I CA -0.416 60.773 61.300 -0.184 0.000 1.265 57 I CB 1.562 39.478 38.000 -0.141 0.000 1.388 57 I HN 0.503 nan 8.210 nan 0.000 0.480 58 V N 7.071 126.875 119.914 -0.184 0.000 3.040 58 V HA 0.659 4.779 4.120 0.000 0.000 0.312 58 V C -1.500 174.496 176.094 -0.162 0.000 1.115 58 V CA -0.267 61.935 62.300 -0.164 0.000 0.998 58 V CB 2.231 33.964 31.823 -0.150 0.000 1.042 58 V HN 0.842 nan 8.190 nan 0.000 0.433 59 D N 2.123 122.428 120.400 -0.158 0.000 2.803 59 D HA 0.300 4.940 4.640 0.000 0.000 0.218 59 D C 0.543 176.747 176.300 -0.160 0.000 1.245 59 D CA -0.411 53.480 54.000 -0.182 0.000 0.821 59 D CB 2.170 42.813 40.800 -0.262 0.000 1.626 59 D HN 0.695 nan 8.370 nan 0.000 0.487 60 R N 2.120 122.539 120.500 -0.136 0.000 2.148 60 R HA 0.100 4.440 4.340 0.000 0.000 0.223 60 R C 0.545 176.765 176.300 -0.134 0.000 1.088 60 R CA 0.204 56.240 56.100 -0.106 0.000 0.985 60 R CB 0.073 30.332 30.300 -0.068 0.000 0.880 60 R HN 0.152 nan 8.270 nan 0.000 0.451 61 R N 1.518 121.888 120.500 -0.216 0.000 2.738 61 R HA 0.086 4.426 4.340 0.000 0.000 0.268 61 R C -1.857 174.261 176.300 -0.302 0.000 1.062 61 R CA -1.587 54.335 56.100 -0.297 0.000 1.158 61 R CB 0.174 30.123 30.300 -0.585 0.000 1.046 61 R HN 0.060 nan 8.270 nan 0.000 0.493 62 P HA 0.044 nan 4.420 nan 0.000 0.257 62 P C -1.057 176.138 177.300 -0.175 0.000 1.281 62 P CA 0.535 63.548 63.100 -0.145 0.000 0.826 62 P CB 0.104 31.777 31.700 -0.045 0.000 1.237 63 H N -1.625 117.251 119.070 -0.324 0.000 2.949 63 H HA 0.627 5.183 4.556 0.000 0.000 0.356 63 H C 0.065 175.140 175.328 -0.422 0.000 1.212 63 H CA -1.472 54.290 56.048 -0.477 0.000 1.136 63 H CB 0.691 29.805 29.762 -1.079 0.000 1.869 63 H HN -0.183 nan 8.280 nan 0.000 0.556 64 I N -2.359 118.070 120.570 -0.235 0.000 3.210 64 I HA 0.693 4.863 4.170 0.000 0.000 0.316 64 I C 1.042 176.933 176.117 -0.377 0.000 1.067 64 I CA -0.483 60.635 61.300 -0.303 0.000 1.047 64 I CB 1.222 39.092 38.000 -0.216 0.000 1.352 64 I HN 1.040 nan 8.210 nan 0.000 0.565 65 G N 0.630 108.896 108.800 -0.889 0.000 2.225 65 G HA2 -0.116 3.844 3.960 0.000 0.000 0.254 65 G HA3 -0.116 3.844 3.960 0.000 0.000 0.254 65 G C 1.018 175.375 174.900 -0.905 0.000 0.988 65 G CA 0.451 44.576 45.100 -1.624 0.000 0.625 65 G HN 2.131 nan 8.290 nan 0.000 0.527 66 G N 0.811 109.287 108.800 -0.540 0.000 2.660 66 G HA2 -0.435 3.525 3.960 0.000 0.000 0.321 66 G HA3 -0.435 3.525 3.960 0.000 0.000 0.321 66 G C 0.981 175.638 174.900 -0.405 0.000 1.246 66 G CA 1.129 45.978 45.100 -0.419 0.000 1.000 66 G HN 1.179 nan 8.290 nan 0.000 0.550 67 N N 1.267 119.744 118.700 -0.372 0.000 2.289 67 N HA 0.108 4.848 4.740 0.000 0.000 0.184 67 N C 2.185 177.373 175.510 -0.536 0.000 1.016 67 N CA 1.851 54.680 53.050 -0.368 0.000 0.872 67 N CB -0.464 38.009 38.487 -0.024 0.000 0.973 67 N HN 0.951 nan 8.380 nan 0.000 0.433 68 A N -0.873 121.593 122.820 -0.591 0.000 2.307 68 A HA 0.040 4.360 4.320 0.000 0.000 0.218 68 A C 0.197 177.471 177.584 -0.517 0.000 1.228 68 A CA -0.472 51.048 52.037 -0.860 0.000 0.857 68 A CB -0.575 18.052 19.000 -0.622 0.000 0.897 68 A HN 0.300 nan 8.150 nan 0.000 0.495 69 Y N 2.561 122.599 120.300 -0.437 0.000 2.712 69 Y HA 0.280 4.830 4.550 0.000 0.000 0.333 69 Y C -0.120 175.653 175.900 -0.211 0.000 1.225 69 Y CA -0.113 57.813 58.100 -0.291 0.000 1.499 69 Y CB 0.348 38.601 38.460 -0.346 0.000 1.288 69 Y HN 0.531 nan 8.280 nan 0.000 0.575 70 D N 4.143 124.053 120.400 -0.816 0.000 2.547 70 D HA 0.584 5.224 4.640 0.000 0.000 0.231 70 D C -1.159 174.557 176.300 -0.974 0.000 1.099 70 D CA -0.594 52.974 54.000 -0.720 0.000 0.901 70 D CB 1.053 41.698 40.800 -0.259 0.000 1.478 70 D HN 0.747 nan 8.370 nan 0.000 0.471 71 C N -1.758 117.121 119.300 -0.702 0.000 3.306 71 C HA 0.666 5.126 4.460 0.000 0.000 0.335 71 C C -1.346 173.389 174.990 -0.425 0.000 1.382 71 C CA -1.186 57.536 59.018 -0.493 0.000 1.254 71 C CB -0.101 27.403 27.740 -0.394 0.000 1.555 71 C HN 0.612 nan 8.230 nan 0.000 0.463 72 Y N 2.279 122.472 120.300 -0.178 0.000 2.359 72 Y HA 0.426 4.976 4.550 0.000 0.000 0.334 72 Y C 1.095 176.917 175.900 -0.129 0.000 1.058 72 Y CA 0.692 58.712 58.100 -0.133 0.000 1.244 72 Y CB 0.698 39.115 38.460 -0.072 0.000 1.187 72 Y HN 0.835 nan 8.280 nan 0.000 0.510 73 D N 0.272 120.653 120.400 -0.032 0.000 2.414 73 D HA -0.016 4.624 4.640 0.000 0.000 0.251 73 D C 0.393 176.694 176.300 0.002 0.000 1.252 73 D CA -0.359 53.606 54.000 -0.059 0.000 0.999 73 D CB 0.529 41.263 40.800 -0.109 0.000 1.093 73 D HN 0.417 nan 8.370 nan 0.000 0.515 74 D N -0.845 119.548 120.400 -0.012 0.000 2.311 74 D HA -0.098 4.542 4.640 0.000 0.000 0.212 74 D C 1.372 177.689 176.300 0.028 0.000 0.972 74 D CA 1.408 55.413 54.000 0.009 0.000 0.887 74 D CB -0.200 40.601 40.800 0.001 0.000 0.915 74 D HN 0.535 nan 8.370 nan 0.000 0.497 75 A N -0.767 122.063 122.820 0.017 0.000 2.348 75 A HA 0.474 4.794 4.320 0.000 0.000 0.224 75 A C 1.636 179.295 177.584 0.126 0.000 1.227 75 A CA 0.761 52.820 52.037 0.037 0.000 0.885 75 A CB 0.237 19.205 19.000 -0.053 0.000 0.933 75 A HN 0.178 nan 8.150 nan 0.000 0.506 76 G N -0.979 107.904 108.800 0.139 0.000 2.132 76 G HA2 -0.151 3.809 3.960 0.000 0.000 0.228 76 G HA3 -0.151 3.809 3.960 0.000 0.000 0.228 76 G C -0.022 175.068 174.900 0.318 0.000 1.000 76 G CA 0.125 45.390 45.100 0.275 0.000 0.693 76 G HN 0.812 nan 8.290 nan 0.000 0.515 77 V N 0.692 120.628 119.914 0.036 0.000 2.532 77 V HA 0.657 4.777 4.120 0.000 0.000 0.295 77 V C 0.601 176.568 176.094 -0.213 0.000 1.041 77 V CA -1.022 61.209 62.300 -0.115 0.000 0.926 77 V CB 1.791 33.450 31.823 -0.274 0.000 0.992 77 V HN 0.376 nan 8.190 nan 0.000 0.457 78 L N 7.068 128.067 121.223 -0.374 0.000 2.315 78 L HA 0.528 4.868 4.340 0.000 0.000 0.283 78 L C -0.253 176.275 176.870 -0.569 0.000 1.089 78 L CA 0.605 55.043 54.840 -0.670 0.000 0.833 78 L CB -0.002 41.681 42.059 -0.627 0.000 1.170 78 L HN 0.654 nan 8.230 nan 0.000 0.442 79 I N 0.702 120.851 120.570 -0.701 0.000 2.934 79 I HA 0.495 4.665 4.170 0.000 0.000 0.306 79 I C -1.045 174.505 176.117 -0.945 0.000 1.110 79 I CA -0.850 59.716 61.300 -1.225 0.000 1.019 79 I CB 2.138 39.637 38.000 -0.834 0.000 1.227 79 I HN 0.558 nan 8.210 nan 0.000 0.434 80 H N 3.437 121.701 119.070 -1.342 0.000 2.685 80 H HA 0.288 4.844 4.556 0.000 0.000 0.286 80 H C -2.065 173.102 175.328 -0.269 0.000 1.102 80 H CA -1.941 53.807 56.048 -0.499 0.000 1.254 80 H CB 0.885 30.610 29.762 -0.062 0.000 1.397 80 H HN 0.452 nan 8.280 nan 0.000 0.473 81 P HA -0.195 nan 4.420 nan 0.000 0.220 81 P C -0.136 176.820 177.300 -0.574 0.000 1.144 81 P CA 1.390 64.252 63.100 -0.397 0.000 0.800 81 P CB 0.082 31.496 31.700 -0.478 0.000 0.772 82 Y N -1.148 118.972 120.300 -0.300 0.000 2.720 82 Y HA 0.506 5.056 4.550 0.000 0.000 0.277 82 Y C 1.390 176.898 175.900 -0.654 0.000 1.144 82 Y CA 0.007 57.722 58.100 -0.642 0.000 1.221 82 Y CB 0.075 38.453 38.460 -0.136 0.000 1.163 82 Y HN -0.077 nan 8.280 nan 0.000 0.537 83 G N 0.706 109.269 108.800 -0.394 0.000 2.707 83 G HA2 -0.157 3.803 3.960 0.000 0.000 0.686 83 G HA3 -0.157 3.803 3.960 0.000 0.000 0.686 83 G C -3.164 171.974 174.900 0.397 0.000 1.315 83 G CA -1.591 43.517 45.100 0.014 0.000 0.832 83 G HN -0.048 nan 8.290 nan 0.000 0.573 84 P HA 0.332 nan 4.420 nan 0.000 0.270 84 P C -0.555 176.917 177.300 0.287 0.000 1.242 84 P CA 0.327 63.690 63.100 0.438 0.000 0.768 84 P CB 0.159 31.941 31.700 0.136 0.000 0.820 85 H N 3.168 122.576 119.070 0.565 0.000 2.691 85 H HA 0.387 4.943 4.556 0.000 0.000 0.281 85 H C -0.197 175.416 175.328 0.476 0.000 1.121 85 H CA -0.425 55.809 56.048 0.310 0.000 1.254 85 H CB -0.103 29.642 29.762 -0.028 0.000 1.390 85 H HN 0.251 nan 8.280 nan 0.000 0.491 86 I N 3.447 124.275 120.570 0.431 0.000 2.304 86 I HA 0.097 4.267 4.170 0.000 0.000 0.291 86 I C -0.027 176.394 176.117 0.508 0.000 1.018 86 I CA -0.445 61.136 61.300 0.469 0.000 1.260 86 I CB 0.091 38.282 38.000 0.318 0.000 1.390 86 I HN 0.387 nan 8.210 nan 0.000 0.475 87 F N 7.474 127.704 119.950 0.466 0.000 2.429 87 F HA 0.488 5.015 4.527 0.000 0.000 0.348 87 F C 0.257 176.197 175.800 0.233 0.000 1.109 87 F CA 0.268 58.475 58.000 0.344 0.000 1.232 87 F CB 0.238 39.525 39.000 0.478 0.000 1.157 87 F HN 0.706 nan 8.300 nan 0.000 0.564 88 H N 1.049 119.488 119.070 -1.052 0.000 3.121 88 H HA 0.533 5.089 4.556 0.000 0.000 0.337 88 H C -1.393 173.402 175.328 -0.889 0.000 1.198 88 H CA -0.964 54.599 56.048 -0.808 0.000 1.274 88 H CB 1.462 30.776 29.762 -0.748 0.000 1.954 88 H HN 0.665 nan 8.280 nan 0.000 0.531 89 T N 1.003 115.249 114.554 -0.513 0.000 2.886 89 T HA 0.259 4.609 4.350 0.000 0.000 0.330 89 T C -0.592 174.076 174.700 -0.052 0.000 1.488 89 T CA -0.769 61.131 62.100 -0.333 0.000 1.054 89 T CB 1.414 70.116 68.868 -0.276 0.000 1.348 89 T HN 0.738 nan 8.240 nan 0.000 0.489 90 N N 1.115 119.799 118.700 -0.027 0.000 2.299 90 N HA 0.115 4.855 4.740 0.000 0.000 0.187 90 N C 0.313 175.918 175.510 0.158 0.000 1.099 90 N CA 0.104 53.167 53.050 0.021 0.000 0.867 90 N CB 0.703 39.172 38.487 -0.030 0.000 0.974 90 N HN 0.501 nan 8.380 nan 0.000 0.477 91 S N 1.088 116.871 115.700 0.138 0.000 2.416 91 S HA 0.125 4.595 4.470 0.000 0.000 0.287 91 S C 1.273 175.952 174.600 0.132 0.000 1.139 91 S CA -0.502 57.773 58.200 0.125 0.000 1.058 91 S CB 1.039 64.269 63.200 0.050 0.000 0.967 91 S HN 0.143 nan 8.310 nan 0.000 0.495 92 K N 3.866 124.358 120.400 0.153 0.000 2.057 92 K HA -0.154 4.166 4.320 0.000 0.000 0.207 92 K C 0.997 177.580 176.600 -0.027 0.000 1.049 92 K CA 1.908 58.166 56.287 -0.047 0.000 0.931 92 K CB -0.212 32.348 32.500 0.099 0.000 0.714 92 K HN 0.633 nan 8.250 nan 0.000 0.440 93 D N 0.206 120.628 120.400 0.037 0.000 2.106 93 D HA -0.172 4.468 4.640 0.000 0.000 0.191 93 D C 1.857 178.209 176.300 0.088 0.000 0.997 93 D CA 1.454 55.485 54.000 0.051 0.000 0.834 93 D CB -0.133 40.693 40.800 0.043 0.000 0.956 93 D HN 0.028 nan 8.370 nan 0.000 0.448 94 V N 0.156 120.133 119.914 0.105 0.000 2.307 94 V HA -0.207 3.913 4.120 0.000 0.000 0.245 94 V C 2.133 178.375 176.094 0.247 0.000 1.045 94 V CA 1.422 63.835 62.300 0.189 0.000 1.024 94 V CB -0.611 31.319 31.823 0.178 0.000 0.651 94 V HN 0.194 nan 8.190 nan 0.000 0.449 95 F N 0.940 120.878 119.950 -0.019 0.000 2.134 95 F HA -0.203 4.324 4.527 0.000 0.000 0.299 95 F C 2.458 178.220 175.800 -0.063 0.000 1.097 95 F CA 2.037 59.962 58.000 -0.125 0.000 1.264 95 F CB 0.047 38.714 39.000 -0.556 0.000 1.001 95 F HN 0.186 nan 8.300 nan 0.000 0.479 96 E N -1.091 119.052 120.200 -0.096 0.000 2.152 96 E HA -0.237 4.113 4.350 0.000 0.000 0.192 96 E C 1.816 178.357 176.600 -0.098 0.000 0.983 96 E CA 1.131 57.451 56.400 -0.134 0.000 0.818 96 E CB -0.400 29.271 29.700 -0.049 0.000 0.758 96 E HN 0.593 nan 8.360 nan 0.000 0.467 97 Y N 1.353 121.598 120.300 -0.091 0.000 2.070 97 Y HA -0.257 4.293 4.550 0.000 0.000 0.280 97 Y C 1.915 177.758 175.900 -0.095 0.000 1.148 97 Y CA 1.299 59.361 58.100 -0.063 0.000 1.125 97 Y CB -0.364 38.123 38.460 0.045 0.000 0.975 97 Y HN -0.032 nan 8.280 nan 0.000 0.492 98 L N 0.109 121.256 121.223 -0.127 0.000 2.187 98 L HA -0.200 4.140 4.340 0.000 0.000 0.213 98 L C 2.464 179.166 176.870 -0.280 0.000 1.100 98 L CA 1.873 56.628 54.840 -0.141 0.000 0.765 98 L CB -1.379 40.718 42.059 0.062 0.000 0.904 98 L HN 0.201 nan 8.230 nan 0.000 0.437 99 S N -0.911 114.631 115.700 -0.263 0.000 2.500 99 S HA -0.117 4.353 4.470 0.000 0.000 0.239 99 S C 1.848 176.174 174.600 -0.456 0.000 0.989 99 S CA 0.648 58.700 58.200 -0.247 0.000 0.951 99 S CB -0.268 62.802 63.200 -0.216 0.000 0.759 99 S HN 0.449 nan 8.310 nan 0.000 0.523 100 R N -0.347 119.688 120.500 -0.774 0.000 2.297 100 R HA 0.150 4.490 4.340 0.000 0.000 0.197 100 R C 0.321 175.953 176.300 -1.113 0.000 0.943 100 R CA 0.672 56.157 56.100 -1.026 0.000 1.038 100 R CB 0.017 29.487 30.300 -1.384 0.000 0.957 100 R HN 0.451 nan 8.270 nan 0.000 0.484 101 F N -1.496 118.230 119.950 -0.373 0.000 2.781 101 F HA 0.297 4.824 4.527 0.000 0.000 0.322 101 F C 0.305 175.872 175.800 -0.388 0.000 1.108 101 F CA -0.487 57.301 58.000 -0.354 0.000 1.179 101 F CB 1.417 40.183 39.000 -0.390 0.000 1.072 101 F HN -0.254 nan 8.300 nan 0.000 0.545 102 T N 0.032 114.349 114.554 -0.396 0.000 2.977 102 T HA 0.257 4.607 4.350 0.000 0.000 0.345 102 T C -1.040 173.233 174.700 -0.712 0.000 1.562 102 T CA -0.605 61.183 62.100 -0.520 0.000 1.090 102 T CB 1.365 69.826 68.868 -0.679 0.000 1.383 102 T HN 0.113 nan 8.240 nan 0.000 0.484 103 E N 1.235 121.126 120.200 -0.515 0.000 2.385 103 E HA 0.521 4.871 4.350 0.000 0.000 0.254 103 E C -0.889 175.336 176.600 -0.626 0.000 1.228 103 E CA -0.623 55.519 56.400 -0.431 0.000 0.956 103 E CB 0.939 30.549 29.700 -0.150 0.000 1.116 103 E HN 0.517 nan 8.360 nan 0.000 0.507 104 W N -0.124 121.157 121.300 -0.031 0.000 2.864 104 W HA 0.403 5.063 4.660 0.000 0.000 0.343 104 W C -0.257 176.285 176.519 0.038 0.000 1.109 104 W CA -0.824 56.540 57.345 0.032 0.000 1.192 104 W CB 1.357 30.925 29.460 0.180 0.000 1.426 104 W HN 0.138 nan 8.180 nan 0.000 0.529 105 R N 3.019 123.720 120.500 0.335 0.000 2.337 105 R HA 0.407 4.747 4.340 0.000 0.000 0.319 105 R C -2.669 173.813 176.300 0.303 0.000 0.954 105 R CA -1.804 54.432 56.100 0.226 0.000 0.840 105 R CB 1.171 31.537 30.300 0.110 0.000 1.164 105 R HN 0.098 nan 8.270 nan 0.000 0.472 106 P HA -0.046 nan 4.420 nan 0.000 0.262 106 P C -1.634 175.855 177.300 0.316 0.000 1.182 106 P CA 0.450 63.695 63.100 0.241 0.000 0.761 106 P CB 0.112 31.908 31.700 0.160 0.000 0.795 107 Y N 1.688 122.081 120.300 0.156 0.000 2.376 107 Y HA 0.274 4.824 4.550 0.000 0.000 0.321 107 Y C -1.387 174.625 175.900 0.186 0.000 1.189 107 Y CA -0.527 57.677 58.100 0.174 0.000 1.069 107 Y CB 1.694 40.285 38.460 0.217 0.000 1.292 107 Y HN 0.295 nan 8.280 nan 0.000 0.430 108 Q N 5.145 124.664 119.800 -0.468 0.000 2.456 108 Q HA 0.211 4.551 4.340 0.000 0.000 0.252 108 Q C -1.213 174.438 176.000 -0.582 0.000 1.042 108 Q CA -0.925 54.670 55.803 -0.348 0.000 0.766 108 Q CB 1.016 29.662 28.738 -0.155 0.000 1.196 108 Q HN 0.667 nan 8.270 nan 0.000 0.504 109 H N 2.397 121.125 119.070 -0.571 0.000 3.064 109 H HA 0.066 4.622 4.556 0.000 0.000 0.329 109 H C -0.626 174.555 175.328 -0.245 0.000 1.020 109 H CA 1.036 56.886 56.048 -0.330 0.000 1.402 109 H CB 0.436 30.268 29.762 0.116 0.000 1.379 109 H HN 0.400 nan 8.280 nan 0.000 0.594 110 R N 3.308 123.454 120.500 -0.589 0.000 2.575 110 R HA 0.495 4.835 4.340 0.000 0.000 0.293 110 R C -1.434 174.520 176.300 -0.576 0.000 0.983 110 R CA -1.000 54.830 56.100 -0.449 0.000 0.887 110 R CB 2.062 32.198 30.300 -0.274 0.000 1.184 110 R HN 0.320 nan 8.270 nan 0.000 0.445 111 V N 4.705 124.368 119.914 -0.419 0.000 2.487 111 V HA 0.375 4.495 4.120 0.000 0.000 0.298 111 V C -0.667 175.289 176.094 -0.229 0.000 1.028 111 V CA -0.932 61.136 62.300 -0.388 0.000 0.860 111 V CB 1.796 33.337 31.823 -0.470 0.000 0.991 111 V HN 0.475 nan 8.190 nan 0.000 0.427 112 L N 3.803 124.893 121.223 -0.222 0.000 2.325 112 L HA 0.759 5.099 4.340 0.000 0.000 0.279 112 L C 0.464 177.236 176.870 -0.164 0.000 1.054 112 L CA -0.238 54.504 54.840 -0.164 0.000 0.804 112 L CB 1.430 43.394 42.059 -0.159 0.000 1.200 112 L HN 0.790 nan 8.230 nan 0.000 0.436 113 A N 1.926 124.694 122.820 -0.087 0.000 2.271 113 A HA 0.470 4.790 4.320 0.000 0.000 0.317 113 A C 0.140 177.663 177.584 -0.103 0.000 1.245 113 A CA -0.405 51.592 52.037 -0.067 0.000 0.857 113 A CB 0.770 19.844 19.000 0.123 0.000 1.175 113 A HN 0.646 nan 8.150 nan 0.000 0.512 114 S N 2.316 117.872 115.700 -0.241 0.000 2.429 114 S HA 0.425 4.895 4.470 0.000 0.000 0.292 114 S C -0.448 174.082 174.600 -0.118 0.000 1.183 114 S CA -0.061 58.034 58.200 -0.175 0.000 1.088 114 S CB -0.655 62.412 63.200 -0.223 0.000 1.018 114 S HN 0.731 nan 8.310 nan 0.000 0.511 115 V N 5.284 125.119 119.914 -0.132 0.000 2.668 115 V HA 0.333 4.453 4.120 0.000 0.000 0.304 115 V C -0.558 175.445 176.094 -0.152 0.000 1.071 115 V CA -0.825 61.339 62.300 -0.226 0.000 0.894 115 V CB 1.902 33.417 31.823 -0.513 0.000 1.008 115 V HN 0.879 nan 8.190 nan 0.000 0.425 116 D N 3.743 124.066 120.400 -0.129 0.000 2.751 116 D HA -0.182 4.458 4.640 0.000 0.000 0.233 116 D C 1.301 177.573 176.300 -0.047 0.000 1.149 116 D CA 1.974 55.926 54.000 -0.079 0.000 0.682 116 D CB -1.056 39.695 40.800 -0.082 0.000 1.068 116 D HN 1.562 nan 8.370 nan 0.000 0.429 117 G N -0.480 108.301 108.800 -0.032 0.000 2.179 117 G HA2 -0.339 3.621 3.960 0.000 0.000 0.257 117 G HA3 -0.339 3.621 3.960 0.000 0.000 0.257 117 G C 0.130 175.026 174.900 -0.006 0.000 1.010 117 G CA 0.927 46.025 45.100 -0.003 0.000 0.736 117 G HN 0.575 nan 8.290 nan 0.000 0.513 118 Q N -1.194 118.592 119.800 -0.024 0.000 2.433 118 Q HA 0.734 5.074 4.340 0.000 0.000 0.279 118 Q C -0.239 175.741 176.000 -0.033 0.000 1.105 118 Q CA -1.112 54.677 55.803 -0.023 0.000 0.815 118 Q CB 1.905 30.627 28.738 -0.026 0.000 1.403 118 Q HN 0.211 nan 8.270 nan 0.000 0.435 119 L N 2.538 123.740 121.223 -0.035 0.000 2.272 119 L HA 0.352 4.692 4.340 0.000 0.000 0.284 119 L C -1.125 175.723 176.870 -0.037 0.000 1.045 119 L CA -0.555 54.252 54.840 -0.055 0.000 0.842 119 L CB 0.159 42.177 42.059 -0.069 0.000 1.224 119 L HN 0.285 nan 8.230 nan 0.000 0.430 120 L N 5.416 126.638 121.223 -0.001 0.000 2.334 120 L HA 0.607 4.947 4.340 0.000 0.000 0.272 120 L C -2.154 174.705 176.870 -0.018 0.000 1.020 120 L CA -2.304 52.549 54.840 0.022 0.000 0.812 120 L CB 1.095 43.238 42.059 0.139 0.000 1.264 120 L HN 0.213 nan 8.230 nan 0.000 0.439 121 P HA 0.185 nan 4.420 nan 0.000 0.264 121 P C -0.949 176.254 177.300 -0.163 0.000 1.193 121 P CA 0.167 63.200 63.100 -0.113 0.000 0.763 121 P CB 0.504 32.134 31.700 -0.117 0.000 0.810 122 I N 5.608 126.095 120.570 -0.138 0.000 2.534 122 I HA 0.444 4.614 4.170 0.000 0.000 0.288 122 I C -2.668 173.394 176.117 -0.093 0.000 1.077 122 I CA -3.497 57.704 61.300 -0.166 0.000 1.051 122 I CB 1.936 39.859 38.000 -0.129 0.000 1.234 122 I HN 0.163 nan 8.210 nan 0.000 0.425 123 P HA 0.107 nan 4.420 nan 0.000 0.264 123 P C -0.356 176.804 177.300 -0.233 0.000 1.179 123 P CA 0.277 63.237 63.100 -0.234 0.000 0.763 123 P CB 0.247 31.801 31.700 -0.245 0.000 0.806 124 I N 3.267 123.670 120.570 -0.278 0.000 2.741 124 I HA -0.075 4.095 4.170 0.000 0.000 0.288 124 I C 1.158 177.198 176.117 -0.128 0.000 1.192 124 I CA 0.920 62.039 61.300 -0.301 0.000 1.426 124 I CB -0.228 37.586 38.000 -0.310 0.000 1.367 124 I HN 0.549 nan 8.210 nan 0.000 0.563 125 N N 5.689 124.340 118.700 -0.081 0.000 3.278 125 N HA 0.241 4.981 4.740 0.000 0.000 0.307 125 N C 0.319 175.833 175.510 0.007 0.000 1.551 125 N CA -0.910 52.135 53.050 -0.009 0.000 0.794 125 N CB 0.609 39.059 38.487 -0.063 0.000 1.770 125 N HN 0.422 nan 8.380 nan 0.000 0.612 126 L N -0.141 121.070 121.223 -0.020 0.000 2.021 126 L HA -0.218 4.122 4.340 0.000 0.000 0.215 126 L C 0.659 177.476 176.870 -0.088 0.000 1.074 126 L CA 2.266 57.063 54.840 -0.072 0.000 0.760 126 L CB -0.390 41.611 42.059 -0.096 0.000 0.889 126 L HN 0.543 nan 8.230 nan 0.000 0.433 127 D N -1.195 119.158 120.400 -0.079 0.000 2.219 127 D HA -0.124 4.516 4.640 0.000 0.000 0.205 127 D C 2.021 178.274 176.300 -0.077 0.000 0.970 127 D CA 1.504 55.457 54.000 -0.078 0.000 0.851 127 D CB -0.050 40.707 40.800 -0.072 0.000 0.943 127 D HN 0.402 nan 8.370 nan 0.000 0.488 128 T N 0.555 115.060 114.554 -0.082 0.000 2.737 128 T HA -0.079 4.271 4.350 0.000 0.000 0.265 128 T C 2.309 176.961 174.700 -0.080 0.000 1.038 128 T CA 0.631 62.679 62.100 -0.086 0.000 1.144 128 T CB -0.281 68.481 68.868 -0.177 0.000 0.866 128 T HN -0.014 nan 8.240 nan 0.000 0.434 129 V N 2.330 122.197 119.914 -0.078 0.000 2.307 129 V HA -0.146 3.974 4.120 0.000 0.000 0.245 129 V C 2.492 178.505 176.094 -0.135 0.000 1.045 129 V CA 1.466 63.698 62.300 -0.113 0.000 1.024 129 V CB -0.631 31.070 31.823 -0.204 0.000 0.651 129 V HN 0.397 nan 8.190 nan 0.000 0.449 130 N N 0.352 118.975 118.700 -0.128 0.000 2.104 130 N HA -0.142 4.598 4.740 0.000 0.000 0.190 130 N C 1.978 177.447 175.510 -0.067 0.000 1.024 130 N CA 1.464 54.455 53.050 -0.098 0.000 0.853 130 N CB -0.319 38.113 38.487 -0.093 0.000 1.008 130 N HN 0.456 nan 8.380 nan 0.000 0.424 131 R N -0.219 120.238 120.500 -0.072 0.000 2.119 131 R HA 0.044 4.384 4.340 0.000 0.000 0.222 131 R C 1.922 178.179 176.300 -0.073 0.000 1.088 131 R CA 0.310 56.376 56.100 -0.057 0.000 0.984 131 R CB -0.247 30.025 30.300 -0.048 0.000 0.884 131 R HN 0.121 nan 8.270 nan 0.000 0.447 132 L N -0.476 120.663 121.223 -0.140 0.000 2.044 132 L HA -0.122 4.218 4.340 0.000 0.000 0.205 132 L C 1.184 177.910 176.870 -0.239 0.000 1.075 132 L CA 1.817 56.503 54.840 -0.257 0.000 0.747 132 L CB -0.141 41.636 42.059 -0.469 0.000 0.903 132 L HN 0.077 nan 8.230 nan 0.000 0.435 133 Y N -0.230 120.072 120.300 0.004 0.000 2.458 133 Y HA 0.456 5.006 4.550 0.000 0.000 0.256 133 Y C 1.652 177.538 175.900 -0.022 0.000 1.159 133 Y CA -0.302 57.796 58.100 -0.003 0.000 1.261 133 Y CB -0.326 38.122 38.460 -0.021 0.000 1.119 133 Y HN 0.225 nan 8.280 nan 0.000 0.524 134 G N 1.009 109.857 108.800 0.079 0.000 2.198 134 G HA2 -0.277 3.683 3.960 0.000 0.000 0.257 134 G HA3 -0.277 3.683 3.960 0.000 0.000 0.257 134 G C -0.116 174.797 174.900 0.021 0.000 1.042 134 G CA 0.103 45.226 45.100 0.038 0.000 0.791 134 G HN 0.282 nan 8.290 nan 0.000 0.502 135 L N -0.625 120.599 121.223 0.002 0.000 2.431 135 L HA 0.527 4.867 4.340 0.000 0.000 0.260 135 L C 0.825 177.662 176.870 -0.055 0.000 1.098 135 L CA -0.990 53.826 54.840 -0.041 0.000 0.800 135 L CB 0.934 42.930 42.059 -0.106 0.000 1.210 135 L HN 0.055 nan 8.230 nan 0.000 0.465 136 N N 1.759 120.425 118.700 -0.057 0.000 2.599 136 N HA 0.302 5.042 4.740 0.000 0.000 0.309 136 N C -0.774 174.700 175.510 -0.060 0.000 1.743 136 N CA -0.120 52.899 53.050 -0.052 0.000 0.918 136 N CB 0.620 39.088 38.487 -0.031 0.000 1.339 136 N HN 0.388 nan 8.380 nan 0.000 0.493 137 L N 0.979 122.144 121.223 -0.097 0.000 2.439 137 L HA 0.153 4.493 4.340 0.000 0.000 0.269 137 L C 1.587 178.406 176.870 -0.085 0.000 1.179 137 L CA 0.084 54.864 54.840 -0.099 0.000 0.828 137 L CB 0.515 42.467 42.059 -0.178 0.000 1.106 137 L HN 0.171 nan 8.230 nan 0.000 0.467 138 T N -1.555 112.970 114.554 -0.049 0.000 2.824 138 T HA 0.143 4.493 4.350 0.000 0.000 0.277 138 T C 1.160 175.777 174.700 -0.138 0.000 0.975 138 T CA -0.538 61.525 62.100 -0.063 0.000 0.966 138 T CB 1.424 70.319 68.868 0.044 0.000 1.054 138 T HN 0.527 nan 8.240 nan 0.000 0.533 139 S N 0.116 115.647 115.700 -0.281 0.000 2.383 139 S HA -0.047 4.423 4.470 0.000 0.000 0.229 139 S C 1.516 175.945 174.600 -0.284 0.000 1.030 139 S CA 1.341 59.333 58.200 -0.348 0.000 1.002 139 S CB -0.769 62.122 63.200 -0.515 0.000 0.829 139 S HN 0.662 nan 8.310 nan 0.000 0.467 140 F N 1.690 121.631 119.950 -0.014 0.000 2.186 140 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 140 F C 2.582 178.378 175.800 -0.007 0.000 1.090 140 F CA 0.769 58.766 58.000 -0.005 0.000 1.307 140 F CB -0.792 38.205 39.000 -0.005 0.000 1.019 140 F HN 0.219 nan 8.300 nan 0.000 0.489 141 Q N -0.369 119.513 119.800 0.137 0.000 2.096 141 Q HA -0.099 4.241 4.340 0.000 0.000 0.197 141 Q C 2.424 178.432 176.000 0.014 0.000 0.964 141 Q CA 1.199 57.045 55.803 0.071 0.000 0.838 141 Q CB -0.594 28.168 28.738 0.039 0.000 0.906 141 Q HN 0.304 nan 8.270 nan 0.000 0.444 142 V N 1.224 121.087 119.914 -0.084 0.000 2.867 142 V HA -0.261 3.859 4.120 0.000 0.000 0.260 142 V C 1.947 177.932 176.094 -0.181 0.000 1.099 142 V CA 1.821 63.973 62.300 -0.247 0.000 1.122 142 V CB -0.178 31.420 31.823 -0.375 0.000 0.708 142 V HN 0.366 nan 8.190 nan 0.000 0.490 143 E N -0.189 120.021 120.200 0.017 0.000 2.046 143 E HA -0.216 4.134 4.350 0.000 0.000 0.190 143 E C 2.121 178.801 176.600 0.133 0.000 0.982 143 E CA 1.461 57.942 56.400 0.136 0.000 0.800 143 E CB -0.089 29.692 29.700 0.134 0.000 0.756 143 E HN 0.755 nan 8.360 nan 0.000 0.449 144 E N -0.276 119.984 120.200 0.100 0.000 2.150 144 E HA -0.166 4.184 4.350 0.000 0.000 0.193 144 E C 1.730 178.378 176.600 0.080 0.000 0.985 144 E CA 0.750 57.200 56.400 0.082 0.000 0.814 144 E CB -0.152 29.590 29.700 0.070 0.000 0.752 144 E HN 0.286 nan 8.360 nan 0.000 0.466 145 F N 0.771 120.671 119.950 -0.083 0.000 2.051 145 F HA -0.221 4.306 4.527 -0.000 0.000 0.296 145 F C 1.779 177.563 175.800 -0.027 0.000 1.122 145 F CA 1.358 59.285 58.000 -0.120 0.000 1.201 145 F CB -0.179 38.666 39.000 -0.258 0.000 0.978 145 F HN -0.100 nan 8.300 nan 0.000 0.472 146 F N 0.934 120.995 119.950 0.185 0.000 2.161 146 F HA -0.147 4.380 4.527 0.000 0.000 0.300 146 F C 2.600 178.367 175.800 -0.056 0.000 1.089 146 F CA 0.966 58.999 58.000 0.055 0.000 1.282 146 F CB -1.726 37.347 39.000 0.122 0.000 1.010 146 F HN 0.109 nan 8.300 nan 0.000 0.485 147 A N -0.591 122.317 122.820 0.146 0.000 2.014 147 A HA -0.112 4.208 4.320 0.000 0.000 0.218 147 A C 2.245 179.818 177.584 -0.019 0.000 1.163 147 A CA 1.602 53.673 52.037 0.057 0.000 0.652 147 A CB -0.906 18.128 19.000 0.057 0.000 0.808 147 A HN 0.375 nan 8.150 nan 0.000 0.449 148 S N -0.772 114.877 115.700 -0.085 0.000 2.558 148 S HA 0.092 4.562 4.470 0.000 0.000 0.217 148 S C 1.197 175.685 174.600 -0.188 0.000 0.975 148 S CA 0.837 58.958 58.200 -0.132 0.000 0.912 148 S CB -0.111 62.999 63.200 -0.149 0.000 0.776 148 S HN 1.026 nan 8.310 nan 0.000 0.526 149 V N -2.683 117.099 119.914 -0.219 0.000 3.502 149 V HA 0.682 4.802 4.120 0.000 0.000 0.288 149 V C 0.735 176.780 176.094 -0.082 0.000 1.461 149 V CA -0.196 61.987 62.300 -0.196 0.000 1.029 149 V CB -0.567 31.056 31.823 -0.333 0.000 0.843 149 V HN 0.507 nan 8.190 nan 0.000 0.438 150 A N 1.107 123.898 122.820 -0.048 0.000 2.462 150 A HA 0.435 4.755 4.320 0.000 0.000 0.243 150 A C 0.203 177.758 177.584 -0.049 0.000 1.076 150 A CA -0.034 51.983 52.037 -0.033 0.000 0.773 150 A CB -0.156 18.832 19.000 -0.020 0.000 1.010 150 A HN 0.648 nan 8.150 nan 0.000 0.493 151 E N 2.030 122.194 120.200 -0.060 0.000 2.130 151 E HA 0.141 4.491 4.350 0.000 0.000 0.284 151 E C -0.428 176.133 176.600 -0.065 0.000 1.018 151 E CA -0.788 55.573 56.400 -0.065 0.000 0.817 151 E CB 0.827 30.478 29.700 -0.081 0.000 1.078 151 E HN 0.355 nan 8.360 nan 0.000 0.396 152 K N 2.175 122.543 120.400 -0.052 0.000 2.489 152 K HA 0.103 4.423 4.320 0.000 0.000 0.278 152 K C -0.712 175.856 176.600 -0.053 0.000 1.000 152 K CA 0.064 56.322 56.287 -0.047 0.000 1.012 152 K CB 0.757 33.235 32.500 -0.037 0.000 0.903 152 K HN 0.259 nan 8.250 nan 0.000 0.485 153 V N 3.782 123.664 119.914 -0.054 0.000 2.483 153 V HA 0.061 4.181 4.120 0.000 0.000 0.297 153 V C 1.262 177.329 176.094 -0.044 0.000 1.027 153 V CA -0.649 61.618 62.300 -0.055 0.000 0.855 153 V CB 1.612 33.393 31.823 -0.070 0.000 0.995 153 V HN 0.749 nan 8.190 nan 0.000 0.424 154 E N 3.221 123.398 120.200 -0.038 0.000 2.026 154 E HA -0.203 4.147 4.350 0.000 0.000 0.206 154 E C 0.959 177.541 176.600 -0.030 0.000 1.028 154 E CA 1.851 58.233 56.400 -0.030 0.000 0.845 154 E CB 0.147 29.831 29.700 -0.026 0.000 0.772 154 E HN 0.734 nan 8.360 nan 0.000 0.462 155 Q N -0.475 119.306 119.800 -0.031 0.000 2.321 155 Q HA 0.379 4.719 4.340 0.000 0.000 0.270 155 Q C -1.629 174.348 176.000 -0.037 0.000 1.032 155 Q CA -0.679 55.106 55.803 -0.030 0.000 0.784 155 Q CB 1.917 30.641 28.738 -0.023 0.000 1.264 155 Q HN 0.037 nan 8.270 nan 0.000 0.448 156 V N 5.757 125.646 119.914 -0.041 0.000 2.421 156 V HA 0.132 4.252 4.120 0.000 0.000 0.271 156 V C 0.766 176.835 176.094 -0.042 0.000 1.031 156 V CA 0.525 62.795 62.300 -0.050 0.000 1.032 156 V CB 0.340 32.130 31.823 -0.055 0.000 1.009 156 V HN 0.850 nan 8.190 nan 0.000 0.477 157 R N 2.155 122.629 120.500 -0.043 0.000 2.243 157 R HA 0.146 4.486 4.340 0.000 0.000 0.193 157 R C 0.955 177.232 176.300 -0.038 0.000 0.933 157 R CA 0.534 56.613 56.100 -0.034 0.000 1.105 157 R CB 0.460 30.743 30.300 -0.027 0.000 1.169 157 R HN 0.732 nan 8.270 nan 0.000 0.599 158 T N -2.262 112.265 114.554 -0.046 0.000 2.936 158 T HA 0.257 4.607 4.350 0.000 0.000 0.282 158 T C 0.968 175.637 174.700 -0.051 0.000 1.003 158 T CA -0.620 61.454 62.100 -0.044 0.000 1.005 158 T CB 1.973 70.819 68.868 -0.036 0.000 1.097 158 T HN -0.191 nan 8.240 nan 0.000 0.532 159 S N -0.518 115.161 115.700 -0.035 0.000 2.481 159 S HA -0.035 4.435 4.470 0.000 0.000 0.231 159 S C 1.744 176.349 174.600 0.007 0.000 0.996 159 S CA 0.818 59.007 58.200 -0.020 0.000 0.942 159 S CB -0.461 62.741 63.200 0.004 0.000 0.768 159 S HN 0.856 nan 8.310 nan 0.000 0.520 160 E N 1.130 121.329 120.200 -0.001 0.000 2.072 160 E HA -0.152 4.198 4.350 0.000 0.000 0.190 160 E C 1.148 177.606 176.600 -0.236 0.000 0.982 160 E CA 1.078 57.411 56.400 -0.112 0.000 0.803 160 E CB 0.022 29.646 29.700 -0.127 0.000 0.755 160 E HN 0.348 nan 8.360 nan 0.000 0.453 161 D N 0.487 120.795 120.400 -0.154 0.000 2.104 161 D HA -0.170 4.470 4.640 0.000 0.000 0.194 161 D C 2.195 178.403 176.300 -0.153 0.000 0.994 161 D CA 1.915 55.827 54.000 -0.147 0.000 0.830 161 D CB -0.266 40.475 40.800 -0.099 0.000 0.959 161 D HN 0.270 nan 8.370 nan 0.000 0.452 162 V N -0.026 119.804 119.914 -0.141 0.000 2.255 162 V HA -0.224 3.896 4.120 0.000 0.000 0.247 162 V C 2.625 178.595 176.094 -0.208 0.000 1.051 162 V CA 1.468 63.676 62.300 -0.154 0.000 1.018 162 V CB -1.300 30.436 31.823 -0.143 0.000 0.641 162 V HN 0.002 nan 8.190 nan 0.000 0.445 163 V N -0.229 119.527 119.914 -0.264 0.000 2.307 163 V HA -0.160 3.960 4.120 0.000 0.000 0.245 163 V C 2.685 178.657 176.094 -0.202 0.000 1.045 163 V CA 1.912 64.020 62.300 -0.320 0.000 1.024 163 V CB -0.522 31.051 31.823 -0.418 0.000 0.651 163 V HN 0.405 nan 8.190 nan 0.000 0.449 164 V N 1.267 121.029 119.914 -0.254 0.000 2.490 164 V HA -0.203 3.917 4.120 0.000 0.000 0.250 164 V C 2.583 178.584 176.094 -0.155 0.000 1.061 164 V CA 2.325 64.475 62.300 -0.250 0.000 1.064 164 V CB -0.408 31.168 31.823 -0.412 0.000 0.670 164 V HN 0.785 nan 8.190 nan 0.000 0.461 165 S N -1.601 114.008 115.700 -0.152 0.000 2.603 165 S HA 0.014 4.484 4.470 0.000 0.000 0.220 165 S C 1.589 176.130 174.600 -0.099 0.000 0.967 165 S CA 0.526 58.659 58.200 -0.111 0.000 0.920 165 S CB -0.013 63.125 63.200 -0.103 0.000 0.773 165 S HN 0.643 nan 8.310 nan 0.000 0.529 166 K N 0.667 120.989 120.400 -0.129 0.000 2.312 166 K HA 0.224 4.544 4.320 0.000 0.000 0.206 166 K C 1.394 177.885 176.600 -0.182 0.000 1.121 166 K CA 0.987 57.180 56.287 -0.156 0.000 0.923 166 K CB 0.363 32.732 32.500 -0.219 0.000 1.162 166 K HN 0.334 nan 8.250 nan 0.000 0.478 167 V N -1.946 117.858 119.914 -0.182 0.000 3.276 167 V HA 0.471 4.591 4.120 0.000 0.000 0.319 167 V C 0.308 176.479 176.094 0.129 0.000 1.427 167 V CA 0.016 62.250 62.300 -0.110 0.000 1.102 167 V CB -0.217 31.431 31.823 -0.290 0.000 1.020 167 V HN 0.417 nan 8.190 nan 0.000 0.456 168 G N 1.563 110.396 108.800 0.054 0.000 2.756 168 G HA2 -0.232 3.728 3.960 0.000 0.000 0.678 168 G HA3 -0.232 3.728 3.960 0.000 0.000 0.678 168 G C 0.121 175.093 174.900 0.120 0.000 1.349 168 G CA 0.346 45.484 45.100 0.064 0.000 0.847 168 G HN 0.704 nan 8.290 nan 0.000 0.548 169 R N -0.057 120.503 120.500 0.100 0.000 2.073 169 R HA 0.008 4.348 4.340 0.000 0.000 0.229 169 R C 2.124 178.595 176.300 0.285 0.000 1.120 169 R CA 2.385 58.580 56.100 0.159 0.000 0.967 169 R CB -0.723 29.629 30.300 0.087 0.000 0.862 169 R HN 0.625 nan 8.270 nan 0.000 0.436 170 D N -0.119 120.428 120.400 0.244 0.000 2.078 170 D HA -0.127 4.513 4.640 0.000 0.000 0.193 170 D C 1.869 178.378 176.300 0.349 0.000 0.990 170 D CA 1.516 55.682 54.000 0.277 0.000 0.827 170 D CB -0.135 40.835 40.800 0.283 0.000 0.975 170 D HN 0.288 nan 8.370 nan 0.000 0.451 171 L N -0.320 121.164 121.223 0.436 0.000 2.131 171 L HA -0.171 4.169 4.340 0.000 0.000 0.210 171 L C 2.391 179.577 176.870 0.527 0.000 1.092 171 L CA 0.977 56.132 54.840 0.526 0.000 0.759 171 L CB -0.579 41.804 42.059 0.539 0.000 0.903 171 L HN 0.192 nan 8.230 nan 0.000 0.435 172 Y N 1.277 121.760 120.300 0.304 0.000 2.145 172 Y HA -0.275 4.275 4.550 -0.000 0.000 0.286 172 Y C 2.430 178.506 175.900 0.293 0.000 1.145 172 Y CA 1.807 60.075 58.100 0.280 0.000 1.148 172 Y CB -0.238 38.295 38.460 0.121 0.000 0.981 172 Y HN 0.193 nan 8.280 nan 0.000 0.507 173 N N 0.514 119.297 118.700 0.139 0.000 2.142 173 N HA -0.137 4.603 4.740 0.000 0.000 0.186 173 N C 1.629 177.116 175.510 -0.039 0.000 1.023 173 N CA 1.745 54.786 53.050 -0.015 0.000 0.852 173 N CB -0.255 38.300 38.487 0.112 0.000 0.998 173 N HN 0.477 nan 8.380 nan 0.000 0.424 174 K N -0.770 119.631 120.400 0.003 0.000 2.116 174 K HA 0.049 4.369 4.320 0.000 0.000 0.203 174 K C 1.227 177.610 176.600 -0.361 0.000 1.052 174 K CA 0.861 57.025 56.287 -0.205 0.000 0.952 174 K CB -0.014 32.300 32.500 -0.310 0.000 0.729 174 K HN 0.156 nan 8.250 nan 0.000 0.446 175 F N -1.676 118.269 119.950 -0.009 0.000 2.694 175 F HA 0.179 4.706 4.527 -0.000 0.000 0.292 175 F C 1.401 176.999 175.800 -0.336 0.000 1.121 175 F CA 0.145 58.049 58.000 -0.160 0.000 1.352 175 F CB 0.392 39.279 39.000 -0.188 0.000 1.107 175 F HN -0.125 nan 8.300 nan 0.000 0.597 176 F N -0.948 119.021 119.950 0.032 0.000 2.537 176 F HA 0.245 4.772 4.527 -0.000 0.000 0.275 176 F C 2.359 178.071 175.800 -0.147 0.000 0.947 176 F CA 0.052 58.020 58.000 -0.053 0.000 1.238 176 F CB -0.510 38.448 39.000 -0.069 0.000 1.071 176 F HN -0.422 nan 8.300 nan 0.000 0.749 177 R N 0.799 121.139 120.500 -0.267 0.000 2.097 177 R HA -0.146 4.194 4.340 0.000 0.000 0.236 177 R C 2.342 178.641 176.300 -0.002 0.000 1.135 177 R CA 1.998 57.950 56.100 -0.247 0.000 0.934 177 R CB -1.086 29.001 30.300 -0.356 0.000 0.846 177 R HN 0.402 nan 8.270 nan 0.000 0.431 178 G N -0.542 108.256 108.800 -0.003 0.000 2.446 178 G HA2 -0.347 3.613 3.960 0.000 0.000 0.217 178 G HA3 -0.347 3.613 3.960 0.000 0.000 0.217 178 G C 1.357 176.307 174.900 0.083 0.000 1.168 178 G CA 0.997 46.114 45.100 0.028 0.000 0.771 178 G HN 0.522 nan 8.290 nan 0.000 0.551 179 Y N 1.700 122.003 120.300 0.004 0.000 2.145 179 Y HA -0.187 4.363 4.550 -0.000 0.000 0.286 179 Y C 3.247 179.209 175.900 0.103 0.000 1.145 179 Y CA 2.280 60.398 58.100 0.031 0.000 1.148 179 Y CB -0.219 38.242 38.460 0.001 0.000 0.981 179 Y HN 0.233 nan 8.280 nan 0.000 0.507 180 T N 0.563 115.400 114.554 0.472 0.000 2.652 180 T HA -0.217 4.133 4.350 0.000 0.000 0.267 180 T C 1.806 176.745 174.700 0.399 0.000 1.039 180 T CA 1.833 64.254 62.100 0.536 0.000 1.153 180 T CB -0.348 68.776 68.868 0.427 0.000 0.863 180 T HN 0.336 nan 8.240 nan 0.000 0.428 181 R N 0.802 121.442 120.500 0.233 0.000 2.127 181 R HA -0.081 4.259 4.340 0.000 0.000 0.238 181 R C 2.548 178.910 176.300 0.105 0.000 1.134 181 R CA 1.366 57.562 56.100 0.161 0.000 0.975 181 R CB -0.182 30.178 30.300 0.100 0.000 0.865 181 R HN 0.376 nan 8.270 nan 0.000 0.447 182 K N 0.524 120.945 120.400 0.036 0.000 2.076 182 K HA -0.179 4.141 4.320 0.000 0.000 0.204 182 K C 2.196 178.731 176.600 -0.107 0.000 1.051 182 K CA 1.194 57.447 56.287 -0.057 0.000 0.949 182 K CB 0.147 32.559 32.500 -0.146 0.000 0.726 182 K HN -0.074 nan 8.250 nan 0.000 0.443 183 Q N -0.504 119.198 119.800 -0.163 0.000 2.079 183 Q HA -0.126 4.214 4.340 0.000 0.000 0.200 183 Q C 1.091 176.830 176.000 -0.435 0.000 0.974 183 Q CA 1.952 57.528 55.803 -0.378 0.000 0.840 183 Q CB -0.104 28.352 28.738 -0.470 0.000 0.898 183 Q HN 0.439 nan 8.270 nan 0.000 0.430 184 W N -1.481 119.815 121.300 -0.006 0.000 2.808 184 W HA 0.414 5.074 4.660 -0.000 0.000 0.266 184 W C 1.191 177.723 176.519 0.023 0.000 1.247 184 W CA 0.245 57.594 57.345 0.006 0.000 1.440 184 W CB 0.307 29.793 29.460 0.043 0.000 1.040 184 W HN 0.249 nan 8.180 nan 0.000 0.606 185 G N 0.714 109.645 108.800 0.219 0.000 2.143 185 G HA2 -0.244 3.716 3.960 0.000 0.000 0.248 185 G HA3 -0.244 3.716 3.960 0.000 0.000 0.248 185 G C -0.616 174.381 174.900 0.163 0.000 0.991 185 G CA 0.006 45.195 45.100 0.149 0.000 0.689 185 G HN 0.079 nan 8.290 nan 0.000 0.522 186 L N -0.373 120.979 121.223 0.215 0.000 2.350 186 L HA 0.695 5.035 4.340 0.000 0.000 0.260 186 L C -0.029 176.930 176.870 0.149 0.000 1.015 186 L CA -1.033 53.901 54.840 0.156 0.000 0.821 186 L CB 1.846 43.982 42.059 0.128 0.000 1.370 186 L HN 0.179 nan 8.230 nan 0.000 0.416 187 D N 1.405 121.872 120.400 0.110 0.000 2.304 187 D HA 0.286 4.926 4.640 0.000 0.000 0.247 187 D C -1.732 174.634 176.300 0.111 0.000 1.089 187 D CA -1.301 52.772 54.000 0.121 0.000 0.910 187 D CB 1.577 42.442 40.800 0.108 0.000 1.199 187 D HN 0.252 nan 8.370 nan 0.000 0.426 188 P HA -0.176 nan 4.420 nan 0.000 0.217 188 P C 1.011 178.361 177.300 0.083 0.000 1.148 188 P CA 1.263 64.455 63.100 0.152 0.000 0.828 188 P CB 0.002 31.897 31.700 0.324 0.000 0.783 189 S N -0.900 114.851 115.700 0.086 0.000 2.453 189 S HA -0.087 4.383 4.470 0.000 0.000 0.231 189 S C 1.495 176.103 174.600 0.013 0.000 1.005 189 S CA 0.777 58.996 58.200 0.031 0.000 0.949 189 S CB -0.910 62.308 63.200 0.029 0.000 0.774 189 S HN 0.245 nan 8.310 nan 0.000 0.510 190 E N 0.517 120.729 120.200 0.020 0.000 2.437 190 E HA 0.356 4.706 4.350 0.000 0.000 0.189 190 E C -0.443 176.138 176.600 -0.032 0.000 1.054 190 E CA -0.100 56.303 56.400 0.005 0.000 0.874 190 E CB 0.168 29.883 29.700 0.025 0.000 1.011 190 E HN 0.517 nan 8.360 nan 0.000 0.474 191 L N 0.526 121.714 121.223 -0.059 0.000 2.370 191 L HA 0.305 4.645 4.340 0.000 0.000 0.266 191 L C 0.057 176.869 176.870 -0.097 0.000 1.002 191 L CA -1.083 53.678 54.840 -0.132 0.000 0.818 191 L CB 1.916 43.823 42.059 -0.252 0.000 1.325 191 L HN -0.036 nan 8.230 nan 0.000 0.418 192 D N 1.085 121.423 120.400 -0.103 0.000 2.472 192 D HA 0.020 4.660 4.640 0.000 0.000 0.237 192 D C 0.755 177.020 176.300 -0.059 0.000 1.141 192 D CA 0.363 54.326 54.000 -0.061 0.000 0.875 192 D CB 1.863 42.637 40.800 -0.043 0.000 1.192 192 D HN 0.698 nan 8.370 nan 0.000 0.450 193 A N 2.878 125.673 122.820 -0.042 0.000 2.131 193 A HA -0.186 4.134 4.320 0.000 0.000 0.220 193 A C 2.138 179.701 177.584 -0.036 0.000 1.158 193 A CA 1.835 53.845 52.037 -0.044 0.000 0.665 193 A CB -0.418 18.555 19.000 -0.045 0.000 0.795 193 A HN 0.626 nan 8.150 nan 0.000 0.460 194 S N -0.694 114.992 115.700 -0.024 0.000 2.423 194 S HA -0.085 4.385 4.470 0.000 0.000 0.231 194 S C 1.689 176.286 174.600 -0.005 0.000 1.014 194 S CA 1.163 59.357 58.200 -0.011 0.000 0.965 194 S CB -0.732 62.472 63.200 0.006 0.000 0.785 194 S HN 0.229 nan 8.310 nan 0.000 0.495 195 V N 3.073 122.990 119.914 0.005 0.000 2.216 195 V HA -0.157 3.963 4.120 0.000 0.000 0.243 195 V C 3.203 179.361 176.094 0.107 0.000 1.044 195 V CA 2.321 64.662 62.300 0.069 0.000 0.995 195 V CB -1.513 30.289 31.823 -0.036 0.000 0.633 195 V HN 0.846 nan 8.190 nan 0.000 0.446 196 T N -1.358 113.252 114.554 0.094 0.000 3.072 196 T HA 0.050 4.400 4.350 0.000 0.000 0.266 196 T C 1.667 176.390 174.700 0.039 0.000 1.127 196 T CA 1.051 63.238 62.100 0.145 0.000 1.107 196 T CB -0.235 68.688 68.868 0.092 0.000 0.910 196 T HN 0.434 nan 8.240 nan 0.000 0.513 197 A N 1.864 124.676 122.820 -0.014 0.000 2.121 197 A HA 0.057 4.377 4.320 0.000 0.000 0.218 197 A C 2.492 180.059 177.584 -0.028 0.000 1.154 197 A CA 0.788 52.798 52.037 -0.044 0.000 0.679 197 A CB -0.603 18.370 19.000 -0.046 0.000 0.795 197 A HN 0.553 nan 8.150 nan 0.000 0.458 198 R N -0.802 119.693 120.500 -0.007 0.000 2.152 198 R HA -0.028 4.312 4.340 0.000 0.000 0.232 198 R C -0.225 176.049 176.300 -0.043 0.000 1.117 198 R CA 0.920 57.007 56.100 -0.022 0.000 0.981 198 R CB -0.200 30.081 30.300 -0.032 0.000 0.870 198 R HN 0.311 nan 8.270 nan 0.000 0.451 199 V N 4.033 123.945 119.914 -0.005 0.000 2.294 199 V HA 0.202 4.322 4.120 0.000 0.000 0.272 199 V C -1.968 174.107 176.094 -0.033 0.000 1.027 199 V CA -1.925 60.338 62.300 -0.062 0.000 0.823 199 V CB 1.054 32.899 31.823 0.038 0.000 1.030 199 V HN 0.063 nan 8.190 nan 0.000 0.457 200 P HA 0.197 nan 4.420 nan 0.000 0.272 200 P C -0.099 177.133 177.300 -0.112 0.000 1.223 200 P CA 0.037 63.071 63.100 -0.109 0.000 0.784 200 P CB 0.872 32.499 31.700 -0.120 0.000 0.923 201 T N 0.349 114.821 114.554 -0.137 0.000 2.829 201 T HA 0.588 4.938 4.350 0.000 0.000 0.282 201 T C 0.069 174.683 174.700 -0.144 0.000 0.990 201 T CA -0.806 61.186 62.100 -0.181 0.000 1.028 201 T CB 1.128 69.803 68.868 -0.320 0.000 0.951 201 T HN 0.349 nan 8.240 nan 0.000 0.460 202 R N 1.148 121.593 120.500 -0.091 0.000 2.892 202 R HA 0.645 4.985 4.340 0.000 0.000 0.265 202 R C 0.915 177.275 176.300 0.099 0.000 1.025 202 R CA -0.786 55.299 56.100 -0.025 0.000 0.982 202 R CB 1.617 31.884 30.300 -0.055 0.000 1.185 202 R HN 0.876 nan 8.270 nan 0.000 0.484 203 T N -3.542 111.059 114.554 0.080 0.000 3.003 203 T HA 0.044 4.394 4.350 0.000 0.000 0.261 203 T C 0.611 175.296 174.700 -0.026 0.000 1.003 203 T CA -0.362 61.797 62.100 0.099 0.000 0.917 203 T CB -0.203 68.725 68.868 0.099 0.000 1.084 203 T HN 0.567 nan 8.240 nan 0.000 0.522 204 N N 2.211 120.882 118.700 -0.048 0.000 2.452 204 N HA 0.245 4.985 4.740 0.000 0.000 0.296 204 N C 0.556 176.018 175.510 -0.080 0.000 1.304 204 N CA -0.848 52.149 53.050 -0.087 0.000 0.956 204 N CB 0.371 38.808 38.487 -0.082 0.000 1.106 204 N HN 0.134 nan 8.380 nan 0.000 0.555 205 R N -1.831 118.618 120.500 -0.086 0.000 2.472 205 R HA 0.191 4.532 4.340 0.000 0.000 0.279 205 R C -0.586 175.665 176.300 -0.082 0.000 0.953 205 R CA -0.503 55.548 56.100 -0.082 0.000 1.088 205 R CB -0.093 30.159 30.300 -0.081 0.000 1.197 205 R HN 0.555 nan 8.270 nan 0.000 0.536 206 D N 2.471 122.821 120.400 -0.083 0.000 2.487 206 D HA -0.071 4.569 4.640 0.000 0.000 0.243 206 D C 0.442 176.681 176.300 -0.103 0.000 1.154 206 D CA 0.503 54.449 54.000 -0.089 0.000 0.876 206 D CB 0.707 41.454 40.800 -0.089 0.000 1.161 206 D HN 0.233 nan 8.370 nan 0.000 0.478 207 N N 2.712 121.348 118.700 -0.106 0.000 2.184 207 N HA -0.001 4.739 4.740 0.000 0.000 0.206 207 N C -0.046 175.383 175.510 -0.136 0.000 1.151 207 N CA -0.328 52.651 53.050 -0.119 0.000 0.878 207 N CB 0.118 38.539 38.487 -0.109 0.000 1.014 207 N HN 0.152 nan 8.380 nan 0.000 0.512 208 R N 0.010 120.429 120.500 -0.135 0.000 2.590 208 R HA 0.048 4.388 4.340 0.000 0.000 0.274 208 R C 0.425 176.603 176.300 -0.203 0.000 1.061 208 R CA -0.350 55.660 56.100 -0.150 0.000 1.081 208 R CB 0.386 30.620 30.300 -0.111 0.000 0.984 208 R HN 0.043 nan 8.270 nan 0.000 0.448 209 Y N 1.729 121.742 120.300 -0.478 0.000 2.293 209 Y HA -0.020 4.530 4.550 -0.000 0.000 0.291 209 Y C -0.144 175.241 175.900 -0.858 0.000 1.137 209 Y CA 1.184 58.832 58.100 -0.754 0.000 1.202 209 Y CB 0.346 38.171 38.460 -1.058 0.000 0.990 209 Y HN 0.384 nan 8.280 nan 0.000 0.537 210 F N -2.204 117.687 119.950 -0.099 0.000 2.546 210 F HA 0.588 5.115 4.527 0.000 0.000 0.320 210 F C 0.598 176.315 175.800 -0.137 0.000 1.076 210 F CA -0.749 57.141 58.000 -0.184 0.000 0.928 210 F CB 1.449 40.283 39.000 -0.278 0.000 1.189 210 F HN -0.253 nan 8.300 nan 0.000 0.465 211 A N 0.242 123.095 122.820 0.055 0.000 2.465 211 A HA 0.261 4.581 4.320 0.000 0.000 0.255 211 A C -0.203 177.365 177.584 -0.027 0.000 1.274 211 A CA -0.332 51.697 52.037 -0.014 0.000 0.920 211 A CB -0.733 18.239 19.000 -0.046 0.000 1.033 211 A HN 0.688 nan 8.150 nan 0.000 0.516 212 D N -0.113 120.294 120.400 0.011 0.000 2.390 212 D HA 0.126 4.766 4.640 0.000 0.000 0.236 212 D C 1.310 177.511 176.300 -0.166 0.000 1.189 212 D CA 0.654 54.621 54.000 -0.055 0.000 0.887 212 D CB 0.620 41.411 40.800 -0.014 0.000 1.198 212 D HN 0.112 nan 8.370 nan 0.000 0.444 213 T N 0.348 114.725 114.554 -0.295 0.000 2.737 213 T HA -0.127 4.223 4.350 0.000 0.000 0.265 213 T C 0.289 174.551 174.700 -0.730 0.000 1.038 213 T CA 1.213 62.965 62.100 -0.580 0.000 1.144 213 T CB -0.234 68.101 68.868 -0.887 0.000 0.866 213 T HN 0.342 nan 8.240 nan 0.000 0.434 214 Y N 1.566 121.685 120.300 -0.302 0.000 2.356 214 Y HA 0.517 5.067 4.550 0.000 0.000 0.334 214 Y C 0.117 175.787 175.900 -0.384 0.000 0.958 214 Y CA -1.026 56.754 58.100 -0.533 0.000 1.196 214 Y CB 0.773 38.666 38.460 -0.944 0.000 1.137 214 Y HN 0.014 nan 8.280 nan 0.000 0.485 215 Q N 3.171 122.881 119.800 -0.149 0.000 2.337 215 Q HA 0.831 5.171 4.340 0.000 0.000 0.264 215 Q C -1.174 174.906 176.000 0.133 0.000 1.007 215 Q CA -0.811 55.010 55.803 0.029 0.000 0.727 215 Q CB 2.273 31.049 28.738 0.064 0.000 1.256 215 Q HN 0.795 nan 8.270 nan 0.000 0.467 216 A N 2.765 125.761 122.820 0.294 0.000 2.608 216 A HA 0.756 5.076 4.320 0.000 0.000 0.292 216 A C -1.396 176.592 177.584 0.674 0.000 1.066 216 A CA -0.769 51.534 52.037 0.442 0.000 0.676 216 A CB 1.540 20.760 19.000 0.367 0.000 1.277 216 A HN 0.516 nan 8.150 nan 0.000 0.413 217 M N 1.146 121.093 119.600 0.578 0.000 2.363 217 M HA 0.377 4.857 4.480 0.000 0.000 0.343 217 M C -2.545 173.899 176.300 0.240 0.000 1.165 217 M CA -2.480 53.050 55.300 0.383 0.000 1.046 217 M CB 0.726 33.409 32.600 0.138 0.000 1.648 217 M HN 0.257 nan 8.290 nan 0.000 0.452 218 P HA -0.052 nan 4.420 nan 0.000 0.257 218 P C 0.995 178.076 177.300 -0.364 0.000 1.189 218 P CA -0.002 62.768 63.100 -0.550 0.000 0.780 218 P CB 0.022 31.336 31.700 -0.644 0.000 0.772 219 L N 4.910 125.920 121.223 -0.356 0.000 2.064 219 L HA -0.235 4.105 4.340 0.000 0.000 0.216 219 L C 1.258 177.836 176.870 -0.486 0.000 1.077 219 L CA 2.189 56.808 54.840 -0.368 0.000 0.766 219 L CB -0.931 40.873 42.059 -0.425 0.000 0.890 219 L HN 0.502 nan 8.230 nan 0.000 0.435 220 H N -0.854 118.114 119.070 -0.169 0.000 2.486 220 H HA 0.529 5.085 4.556 0.000 0.000 0.284 220 H C 0.843 176.086 175.328 -0.143 0.000 1.103 220 H CA 0.421 56.400 56.048 -0.115 0.000 1.089 220 H CB -0.164 29.548 29.762 -0.084 0.000 1.603 220 H HN 0.417 nan 8.280 nan 0.000 0.557 221 G N -0.075 108.629 108.800 -0.160 0.000 2.619 221 G HA2 -0.238 3.722 3.960 0.000 0.000 0.686 221 G HA3 -0.238 3.722 3.960 0.000 0.000 0.686 221 G C -0.025 174.739 174.900 -0.227 0.000 1.256 221 G CA -0.585 44.386 45.100 -0.216 0.000 0.826 221 G HN 0.231 nan 8.290 nan 0.000 0.619 222 Y N 0.369 120.623 120.300 -0.076 0.000 2.145 222 Y HA -0.113 4.437 4.550 0.000 0.000 0.286 222 Y C 3.428 179.387 175.900 0.098 0.000 1.145 222 Y CA 2.399 60.498 58.100 -0.003 0.000 1.148 222 Y CB -0.409 38.077 38.460 0.044 0.000 0.981 222 Y HN 0.658 nan 8.280 nan 0.000 0.507 223 T N 0.192 114.858 114.554 0.185 0.000 2.699 223 T HA -0.208 4.142 4.350 0.000 0.000 0.268 223 T C 1.957 176.731 174.700 0.122 0.000 1.036 223 T CA 1.343 63.543 62.100 0.167 0.000 1.147 223 T CB -0.179 68.714 68.868 0.042 0.000 0.862 223 T HN 0.204 nan 8.240 nan 0.000 0.446 224 R N 0.616 121.140 120.500 0.039 0.000 2.081 224 R HA 0.067 4.407 4.340 0.000 0.000 0.235 224 R C 2.426 178.702 176.300 -0.041 0.000 1.131 224 R CA 1.022 57.120 56.100 -0.004 0.000 0.960 224 R CB -0.804 29.484 30.300 -0.020 0.000 0.856 224 R HN 0.468 nan 8.270 nan 0.000 0.436 225 M N -0.359 119.190 119.600 -0.085 0.000 2.117 225 M HA -0.141 4.339 4.480 0.000 0.000 0.262 225 M C 1.646 177.785 176.300 -0.268 0.000 1.065 225 M CA 1.721 56.901 55.300 -0.201 0.000 1.114 225 M CB -0.124 32.292 32.600 -0.307 0.000 1.361 225 M HN -0.031 nan 8.290 nan 0.000 0.408 226 F N 0.746 120.597 119.950 -0.164 0.000 2.146 226 F HA -0.207 4.320 4.527 0.000 0.000 0.298 226 F C 2.548 178.236 175.800 -0.188 0.000 1.096 226 F CA 1.602 59.472 58.000 -0.218 0.000 1.275 226 F CB -0.541 38.333 39.000 -0.210 0.000 1.008 226 F HN 0.232 nan 8.300 nan 0.000 0.480 227 Q N 0.001 119.831 119.800 0.050 0.000 2.135 227 Q HA -0.217 4.123 4.340 0.000 0.000 0.204 227 Q C 1.798 177.765 176.000 -0.055 0.000 0.981 227 Q CA 1.504 57.306 55.803 -0.003 0.000 0.856 227 Q CB -0.247 28.495 28.738 0.008 0.000 0.902 227 Q HN 0.364 nan 8.270 nan 0.000 0.425 228 N N 0.027 118.678 118.700 -0.081 0.000 2.270 228 N HA -0.085 4.655 4.740 0.000 0.000 0.181 228 N C 1.443 176.839 175.510 -0.190 0.000 1.016 228 N CA 0.865 53.873 53.050 -0.070 0.000 0.870 228 N CB -0.092 38.398 38.487 0.004 0.000 0.979 228 N HN 0.246 nan 8.380 nan 0.000 0.431 229 M N -0.022 119.328 119.600 -0.417 0.000 2.394 229 M HA 0.052 4.532 4.480 0.000 0.000 0.264 229 M C 0.474 176.547 176.300 -0.377 0.000 1.073 229 M CA 1.091 55.936 55.300 -0.758 0.000 1.111 229 M CB 0.265 32.364 32.600 -0.836 0.000 1.401 229 M HN -0.004 nan 8.290 nan 0.000 0.448 230 L N -0.702 120.402 121.223 -0.199 0.000 2.965 230 L HA 0.181 4.521 4.340 0.000 0.000 0.254 230 L C 1.843 178.668 176.870 -0.076 0.000 1.220 230 L CA -0.219 54.551 54.840 -0.117 0.000 1.023 230 L CB -0.119 41.894 42.059 -0.076 0.000 1.355 230 L HN 0.269 nan 8.230 nan 0.000 0.545 231 S N -1.736 113.919 115.700 -0.074 0.000 2.406 231 S HA -0.086 4.384 4.470 0.000 0.000 0.228 231 S C 1.267 175.854 174.600 -0.021 0.000 1.020 231 S CA 0.275 58.453 58.200 -0.038 0.000 0.965 231 S CB -0.142 63.042 63.200 -0.027 0.000 0.798 231 S HN 0.357 nan 8.310 nan 0.000 0.488 232 S N 3.327 119.014 115.700 -0.022 0.000 2.599 232 S HA 0.066 4.536 4.470 0.000 0.000 0.303 232 S C -1.646 172.959 174.600 0.008 0.000 1.267 232 S CA -0.743 57.455 58.200 -0.003 0.000 1.055 232 S CB 0.450 63.647 63.200 -0.005 0.000 0.790 232 S HN 0.218 nan 8.310 nan 0.000 0.500 233 P HA 0.036 nan 4.420 nan 0.000 0.230 233 P C 0.586 177.913 177.300 0.045 0.000 1.158 233 P CA 0.591 63.707 63.100 0.028 0.000 0.769 233 P CB 0.058 31.773 31.700 0.024 0.000 0.807 234 N N -0.652 118.076 118.700 0.048 0.000 2.412 234 N HA 0.072 4.812 4.740 0.000 0.000 0.184 234 N C 0.346 175.911 175.510 0.093 0.000 1.101 234 N CA 0.381 53.476 53.050 0.075 0.000 0.881 234 N CB 0.049 38.578 38.487 0.070 0.000 0.969 234 N HN 0.242 nan 8.380 nan 0.000 0.459 235 I N 1.647 122.250 120.570 0.055 0.000 2.328 235 I HA 0.171 4.341 4.170 0.000 0.000 0.287 235 I C -0.161 175.979 176.117 0.037 0.000 1.012 235 I CA -0.780 60.541 61.300 0.035 0.000 1.195 235 I CB 0.967 38.957 38.000 -0.015 0.000 1.350 235 I HN -0.377 nan 8.210 nan 0.000 0.464 236 K N 5.583 126.016 120.400 0.056 0.000 2.118 236 K HA 0.602 4.922 4.320 0.000 0.000 0.267 236 K C -0.580 175.992 176.600 -0.046 0.000 0.991 236 K CA -0.707 55.603 56.287 0.037 0.000 0.916 236 K CB 2.450 35.023 32.500 0.121 0.000 1.041 236 K HN 0.248 nan 8.250 nan 0.000 0.455 237 V N 3.226 123.114 119.914 -0.044 0.000 2.487 237 V HA 0.434 4.554 4.120 0.000 0.000 0.298 237 V C -0.417 175.631 176.094 -0.076 0.000 1.028 237 V CA -0.801 61.454 62.300 -0.075 0.000 0.860 237 V CB 1.696 33.480 31.823 -0.066 0.000 0.991 237 V HN 0.716 nan 8.190 nan 0.000 0.427 238 M N 5.966 125.503 119.600 -0.105 0.000 2.253 238 M HA 0.662 5.142 4.480 0.000 0.000 0.314 238 M C -1.724 174.512 176.300 -0.106 0.000 1.019 238 M CA -0.281 54.964 55.300 -0.092 0.000 0.932 238 M CB 1.375 33.914 32.600 -0.101 0.000 1.606 238 M HN 0.524 nan 8.290 nan 0.000 0.430 239 L N 3.497 124.666 121.223 -0.090 0.000 2.323 239 L HA 0.534 4.874 4.340 0.000 0.000 0.265 239 L C 0.342 177.160 176.870 -0.088 0.000 1.012 239 L CA -0.955 53.819 54.840 -0.110 0.000 0.820 239 L CB 1.782 43.774 42.059 -0.112 0.000 1.334 239 L HN 0.931 nan 8.230 nan 0.000 0.427 240 N N 0.449 119.088 118.700 -0.101 0.000 2.754 240 N HA -0.153 4.587 4.740 0.000 0.000 0.248 240 N C -1.072 174.402 175.510 -0.061 0.000 1.093 240 N CA 0.946 53.952 53.050 -0.074 0.000 0.699 240 N CB -0.641 37.816 38.487 -0.050 0.000 1.016 240 N HN 0.777 nan 8.380 nan 0.000 0.552 241 T N 0.323 114.833 114.554 -0.074 0.000 3.066 241 T HA 0.111 4.461 4.350 0.000 0.000 0.318 241 T C -1.038 173.621 174.700 -0.068 0.000 0.979 241 T CA -0.757 61.305 62.100 -0.064 0.000 1.025 241 T CB 1.521 70.352 68.868 -0.062 0.000 1.002 241 T HN 0.126 nan 8.240 nan 0.000 0.453 242 D N 1.999 122.354 120.400 -0.074 0.000 2.425 242 D HA 0.014 4.654 4.640 0.000 0.000 0.247 242 D C 1.287 177.505 176.300 -0.136 0.000 1.147 242 D CA -0.296 53.651 54.000 -0.089 0.000 0.879 242 D CB 0.737 41.456 40.800 -0.135 0.000 1.179 242 D HN 0.702 nan 8.370 nan 0.000 0.456 243 Y N 3.839 124.074 120.300 -0.109 0.000 2.298 243 Y HA -0.170 4.381 4.550 0.000 0.000 0.287 243 Y C 1.897 177.697 175.900 -0.165 0.000 1.164 243 Y CA 1.071 59.081 58.100 -0.150 0.000 1.229 243 Y CB -0.313 38.073 38.460 -0.124 0.000 0.977 243 Y HN 0.314 nan 8.280 nan 0.000 0.538 244 R N 0.799 120.739 120.500 -0.934 0.000 2.237 244 R HA -0.075 4.265 4.340 0.000 0.000 0.219 244 R C 1.732 177.818 176.300 -0.356 0.000 1.080 244 R CA 1.325 56.999 56.100 -0.711 0.000 0.995 244 R CB -0.239 29.611 30.300 -0.750 0.000 0.875 244 R HN 0.618 nan 8.270 nan 0.000 0.462 245 E N 0.440 120.475 120.200 -0.275 0.000 2.358 245 E HA -0.092 4.258 4.350 0.000 0.000 0.195 245 E C 1.563 178.029 176.600 -0.224 0.000 1.010 245 E CA 0.922 57.226 56.400 -0.161 0.000 0.856 245 E CB 0.197 29.845 29.700 -0.087 0.000 0.795 245 E HN 0.519 nan 8.360 nan 0.000 0.504 246 I N -4.331 116.022 120.570 -0.361 0.000 4.456 246 I HA 0.363 4.533 4.170 0.000 0.000 0.329 246 I C 2.118 177.825 176.117 -0.683 0.000 1.313 246 I CA -0.065 60.821 61.300 -0.690 0.000 1.205 246 I CB 0.373 38.171 38.000 -0.337 0.000 1.179 246 I HN -0.157 nan 8.210 nan 0.000 0.419 247 A N 1.797 124.424 122.820 -0.322 0.000 1.978 247 A HA -0.201 4.119 4.320 0.000 0.000 0.220 247 A C 1.800 179.370 177.584 -0.024 0.000 1.170 247 A CA 2.301 54.314 52.037 -0.039 0.000 0.636 247 A CB -0.664 18.380 19.000 0.073 0.000 0.810 247 A HN 0.478 nan 8.150 nan 0.000 0.448 248 D N -0.859 119.419 120.400 -0.203 0.000 2.224 248 D HA -0.052 4.588 4.640 0.000 0.000 0.205 248 D C 1.146 177.458 176.300 0.021 0.000 0.965 248 D CA 1.468 55.428 54.000 -0.068 0.000 0.852 248 D CB -0.221 40.573 40.800 -0.011 0.000 0.947 248 D HN 0.768 nan 8.370 nan 0.000 0.494 249 F N -1.397 118.606 119.950 0.090 0.000 2.772 249 F HA 0.428 4.955 4.527 0.000 0.000 0.316 249 F C 0.105 175.978 175.800 0.121 0.000 1.114 249 F CA -0.673 57.375 58.000 0.080 0.000 1.191 249 F CB 0.148 39.180 39.000 0.053 0.000 1.065 249 F HN -0.314 nan 8.300 nan 0.000 0.534 250 I N 3.500 124.149 120.570 0.131 0.000 2.362 250 I HA 0.388 4.558 4.170 0.000 0.000 0.289 250 I C -2.492 173.856 176.117 0.386 0.000 0.994 250 I CA -2.294 59.181 61.300 0.291 0.000 1.158 250 I CB 1.792 39.924 38.000 0.219 0.000 1.315 250 I HN -0.181 nan 8.210 nan 0.000 0.451 251 P HA 0.227 nan 4.420 nan 0.000 0.276 251 P C -1.163 176.367 177.300 0.384 0.000 1.243 251 P CA 0.118 63.342 63.100 0.207 0.000 0.768 251 P CB 0.098 31.867 31.700 0.116 0.000 0.856 252 F N 0.131 120.151 119.950 0.116 0.000 2.615 252 F HA 0.423 4.950 4.527 0.000 0.000 0.312 252 F C 0.708 176.528 175.800 0.035 0.000 1.119 252 F CA -0.945 57.125 58.000 0.117 0.000 0.979 252 F CB 0.962 40.032 39.000 0.117 0.000 1.266 252 F HN -0.002 nan 8.300 nan 0.000 0.444 253 Q N 1.188 121.037 119.800 0.082 0.000 2.062 253 Q HA 0.007 4.347 4.340 0.000 0.000 0.196 253 Q C -0.143 175.867 176.000 0.016 0.000 0.967 253 Q CA 1.609 57.395 55.803 -0.029 0.000 0.832 253 Q CB -0.157 28.558 28.738 -0.038 0.000 0.899 253 Q HN 0.878 nan 8.270 nan 0.000 0.442 254 H N -1.359 117.672 119.070 -0.066 0.000 2.797 254 H HA 0.590 5.146 4.556 0.000 0.000 0.372 254 H C -1.265 174.165 175.328 0.170 0.000 1.168 254 H CA -0.627 55.385 56.048 -0.059 0.000 1.163 254 H CB 1.732 31.251 29.762 -0.405 0.000 1.778 254 H HN 0.002 nan 8.280 nan 0.000 0.551 255 M N 4.631 124.183 119.600 -0.080 0.000 2.465 255 M HA 0.502 4.982 4.480 0.000 0.000 0.316 255 M C -1.773 174.551 176.300 0.039 0.000 1.121 255 M CA -0.705 54.597 55.300 0.003 0.000 0.934 255 M CB 1.315 33.883 32.600 -0.053 0.000 1.692 255 M HN 0.580 nan 8.290 nan 0.000 0.444 256 I N 4.325 124.925 120.570 0.051 0.000 2.418 256 I HA 0.319 4.489 4.170 0.000 0.000 0.287 256 I C -1.720 174.319 176.117 -0.130 0.000 1.008 256 I CA -0.710 60.596 61.300 0.009 0.000 1.104 256 I CB 1.672 39.722 38.000 0.084 0.000 1.264 256 I HN 0.653 nan 8.210 nan 0.000 0.438 257 Y N 5.418 125.470 120.300 -0.413 0.000 2.352 257 Y HA 0.378 4.928 4.550 0.000 0.000 0.339 257 Y C 0.814 176.556 175.900 -0.263 0.000 0.992 257 Y CA -0.472 57.349 58.100 -0.466 0.000 1.100 257 Y CB 1.797 39.765 38.460 -0.819 0.000 1.192 257 Y HN 0.614 nan 8.280 nan 0.000 0.458 258 T N 1.118 115.216 114.554 -0.760 0.000 3.111 258 T HA 0.387 4.737 4.350 0.000 0.000 0.284 258 T C 0.721 175.052 174.700 -0.616 0.000 0.983 258 T CA 0.170 61.986 62.100 -0.473 0.000 0.900 258 T CB -0.394 68.327 68.868 -0.246 0.000 1.132 258 T HN 0.764 nan 8.240 nan 0.000 0.531 259 G N 2.352 110.352 108.800 -1.333 0.000 2.525 259 G HA2 0.547 4.507 3.960 0.000 0.000 0.276 259 G HA3 0.547 4.507 3.960 0.000 0.000 0.276 259 G C -2.820 171.982 174.900 -0.164 0.000 1.388 259 G CA -1.449 43.218 45.100 -0.721 0.000 1.050 259 G HN 0.251 nan 8.290 nan 0.000 0.520 260 P HA 0.183 nan 4.420 nan 0.000 0.280 260 P C 1.247 178.787 177.300 0.400 0.000 1.244 260 P CA -0.475 62.724 63.100 0.164 0.000 0.784 260 P CB 1.325 33.012 31.700 -0.022 0.000 0.913 261 V N 1.280 121.429 119.914 0.392 0.000 2.287 261 V HA -0.275 3.845 4.120 0.000 0.000 0.248 261 V C 1.863 177.940 176.094 -0.029 0.000 1.053 261 V CA 2.409 64.856 62.300 0.245 0.000 1.027 261 V CB -1.721 30.262 31.823 0.267 0.000 0.646 261 V HN 0.504 nan 8.190 nan 0.000 0.447 262 D N 2.334 122.594 120.400 -0.233 0.000 2.149 262 D HA -0.161 4.479 4.640 0.000 0.000 0.198 262 D C 1.962 177.916 176.300 -0.577 0.000 0.990 262 D CA 1.997 55.623 54.000 -0.624 0.000 0.839 262 D CB -0.464 40.143 40.800 -0.323 0.000 0.948 262 D HN 0.559 nan 8.370 nan 0.000 0.460 263 A N -0.317 122.235 122.820 -0.448 0.000 1.968 263 A HA 0.017 4.337 4.320 0.000 0.000 0.217 263 A C 2.071 179.394 177.584 -0.435 0.000 1.169 263 A CA 0.789 52.391 52.037 -0.725 0.000 0.638 263 A CB -1.167 17.761 19.000 -0.120 0.000 0.812 263 A HN 0.275 nan 8.150 nan 0.000 0.446 264 F N -0.607 119.072 119.950 -0.452 0.000 2.171 264 F HA -0.039 4.488 4.527 0.000 0.000 0.300 264 F C 0.886 176.319 175.800 -0.611 0.000 1.090 264 F CA 1.219 58.835 58.000 -0.639 0.000 1.293 264 F CB -0.017 38.337 39.000 -1.076 0.000 1.013 264 F HN 0.191 nan 8.300 nan 0.000 0.486 265 F N 0.917 120.887 119.950 0.033 0.000 2.916 265 F HA 0.185 4.712 4.527 0.000 0.000 0.294 265 F C 0.412 176.148 175.800 -0.107 0.000 1.189 265 F CA -0.525 57.492 58.000 0.028 0.000 1.369 265 F CB -0.496 38.619 39.000 0.192 0.000 0.961 265 F HN -0.095 nan 8.300 nan 0.000 0.508 266 D N 0.098 120.399 120.400 -0.166 0.000 2.860 266 D HA -0.299 4.341 4.640 0.000 0.000 0.229 266 D C 0.160 176.508 176.300 0.079 0.000 1.169 266 D CA 1.064 54.990 54.000 -0.123 0.000 0.737 266 D CB -1.492 39.316 40.800 0.013 0.000 1.080 266 D HN 0.466 nan 8.370 nan 0.000 0.424 267 F N -3.010 117.066 119.950 0.211 0.000 3.091 267 F HA -0.359 4.168 4.527 0.000 0.000 0.288 267 F C 2.325 178.259 175.800 0.224 0.000 0.907 267 F CA 0.544 58.702 58.000 0.263 0.000 1.028 267 F CB -2.811 36.290 39.000 0.167 0.000 1.022 267 F HN 0.410 nan 8.300 nan 0.000 0.665 268 C N -2.247 117.167 119.300 0.190 0.000 2.409 268 C HA -0.142 4.318 4.460 0.000 0.000 0.288 268 C C 1.883 176.762 174.990 -0.185 0.000 1.395 268 C CA 1.039 59.986 59.018 -0.118 0.000 1.792 268 C CB -1.246 26.257 27.740 -0.395 0.000 1.847 268 C HN 0.539 nan 8.230 nan 0.000 0.534 269 Y N 1.968 122.321 120.300 0.089 0.000 2.612 269 Y HA 0.494 5.044 4.550 0.000 0.000 0.250 269 Y C 1.396 177.384 175.900 0.147 0.000 1.175 269 Y CA -0.229 57.841 58.100 -0.051 0.000 1.205 269 Y CB -0.497 37.681 38.460 -0.469 0.000 1.201 269 Y HN 0.647 nan 8.280 nan 0.000 0.532 270 G N 0.795 109.830 108.800 0.392 0.000 2.663 270 G HA2 -0.178 3.782 3.960 0.000 0.000 0.686 270 G HA3 -0.178 3.782 3.960 0.000 0.000 0.686 270 G C -0.878 174.261 174.900 0.398 0.000 1.246 270 G CA -1.222 44.068 45.100 0.316 0.000 0.795 270 G HN 0.122 nan 8.290 nan 0.000 0.627 271 K N 0.359 120.903 120.400 0.240 0.000 2.419 271 K HA 0.322 4.642 4.320 0.000 0.000 0.282 271 K C 0.893 177.623 176.600 0.217 0.000 1.056 271 K CA -0.203 56.216 56.287 0.220 0.000 1.035 271 K CB 0.189 32.715 32.500 0.044 0.000 0.921 271 K HN 0.566 nan 8.250 nan 0.000 0.472 272 L N 7.993 129.346 121.223 0.217 0.000 2.418 272 L HA 0.226 4.566 4.340 0.000 0.000 0.274 272 L C -1.989 174.853 176.870 -0.047 0.000 1.135 272 L CA -1.990 52.856 54.840 0.009 0.000 0.870 272 L CB 0.822 42.772 42.059 -0.182 0.000 1.154 272 L HN 0.601 nan 8.230 nan 0.000 0.462 273 P HA 0.069 nan 4.420 nan 0.000 0.266 273 P C -1.595 175.689 177.300 -0.026 0.000 1.215 273 P CA 0.546 63.678 63.100 0.055 0.000 0.763 273 P CB 0.130 31.896 31.700 0.111 0.000 0.806 274 Y N 1.963 122.419 120.300 0.259 0.000 2.391 274 Y HA 0.473 5.023 4.550 0.000 0.000 0.341 274 Y C 0.827 176.843 175.900 0.193 0.000 0.965 274 Y CA -1.157 57.088 58.100 0.242 0.000 1.067 274 Y CB 1.922 40.497 38.460 0.192 0.000 1.199 274 Y HN 0.142 nan 8.280 nan 0.000 0.450 275 R N 1.633 122.360 120.500 0.378 0.000 2.390 275 R HA 0.455 4.795 4.340 0.000 0.000 0.291 275 R C -0.270 176.201 176.300 0.284 0.000 1.070 275 R CA 0.041 56.289 56.100 0.246 0.000 1.014 275 R CB 1.070 31.414 30.300 0.073 0.000 1.007 275 R HN 0.665 nan 8.270 nan 0.000 0.466 276 S N 2.639 118.457 115.700 0.197 0.000 2.766 276 S HA 0.780 5.250 4.470 0.000 0.000 0.307 276 S C -1.022 173.735 174.600 0.263 0.000 1.121 276 S CA -0.724 57.625 58.200 0.249 0.000 0.980 276 S CB 0.573 63.831 63.200 0.097 0.000 1.159 276 S HN 0.430 nan 8.310 nan 0.000 0.546 277 L N 0.975 122.387 121.223 0.316 0.000 2.409 277 L HA 0.623 4.963 4.340 0.000 0.000 0.255 277 L C -0.784 175.953 176.870 -0.221 0.000 1.027 277 L CA -0.664 54.152 54.840 -0.040 0.000 0.834 277 L CB 2.121 44.020 42.059 -0.267 0.000 1.426 277 L HN 0.642 nan 8.230 nan 0.000 0.411 278 E N 0.897 120.921 120.200 -0.294 0.000 2.210 278 E HA 0.527 4.877 4.350 0.000 0.000 0.266 278 E C -1.873 174.576 176.600 -0.252 0.000 0.883 278 E CA -0.555 55.702 56.400 -0.238 0.000 0.761 278 E CB 1.574 31.254 29.700 -0.033 0.000 1.156 278 E HN 0.346 nan 8.360 nan 0.000 0.412 279 F N 2.734 122.804 119.950 0.201 0.000 2.436 279 F HA 0.507 5.034 4.527 0.000 0.000 0.340 279 F C 0.418 176.296 175.800 0.131 0.000 1.113 279 F CA -0.941 57.136 58.000 0.127 0.000 1.022 279 F CB 1.518 40.552 39.000 0.056 0.000 1.128 279 F HN 0.202 nan 8.300 nan 0.000 0.466 280 R N 2.725 123.403 120.500 0.298 0.000 2.320 280 R HA 0.304 4.644 4.340 0.000 0.000 0.319 280 R C -0.955 175.432 176.300 0.145 0.000 0.969 280 R CA -0.705 55.538 56.100 0.237 0.000 0.857 280 R CB 0.898 31.350 30.300 0.254 0.000 1.160 280 R HN 0.661 nan 8.270 nan 0.000 0.491 281 H N 2.155 121.339 119.070 0.190 0.000 2.548 281 H HA 0.255 4.811 4.556 0.000 0.000 0.331 281 H C -0.243 175.143 175.328 0.097 0.000 1.093 281 H CA 0.014 56.149 56.048 0.144 0.000 1.367 281 H CB 1.750 31.573 29.762 0.101 0.000 1.455 281 H HN 0.481 nan 8.280 nan 0.000 0.519 282 E N 1.004 121.312 120.200 0.179 0.000 2.343 282 E HA 0.325 4.675 4.350 0.000 0.000 0.270 282 E C -0.893 175.693 176.600 -0.024 0.000 0.895 282 E CA -0.842 55.581 56.400 0.037 0.000 0.767 282 E CB 2.311 32.020 29.700 0.014 0.000 1.248 282 E HN 0.409 nan 8.360 nan 0.000 0.440 283 T N 1.745 116.214 114.554 -0.142 0.000 2.864 283 T HA 0.338 4.688 4.350 0.000 0.000 0.299 283 T C -1.131 173.446 174.700 -0.205 0.000 1.011 283 T CA -0.678 61.356 62.100 -0.111 0.000 0.975 283 T CB 0.337 69.162 68.868 -0.072 0.000 0.962 283 T HN 0.324 nan 8.240 nan 0.000 0.448 284 H N 1.068 120.133 119.070 -0.009 0.000 2.483 284 H HA 0.352 4.908 4.556 0.000 0.000 0.338 284 H C 0.095 175.414 175.328 -0.015 0.000 1.152 284 H CA -0.636 55.411 56.048 -0.002 0.000 1.264 284 H CB 0.913 30.678 29.762 0.005 0.000 1.510 284 H HN 0.411 nan 8.280 nan 0.000 0.530 285 D N 1.323 121.797 120.400 0.124 0.000 2.845 285 D HA 0.109 4.749 4.640 0.000 0.000 0.235 285 D C -0.678 175.673 176.300 0.085 0.000 1.158 285 D CA 0.143 54.189 54.000 0.077 0.000 0.990 285 D CB -0.277 40.570 40.800 0.077 0.000 1.094 285 D HN 0.463 nan 8.370 nan 0.000 0.486 286 T N -0.517 114.082 114.554 0.075 0.000 2.840 286 T HA 0.175 4.525 4.350 0.000 0.000 0.317 286 T C 0.666 175.394 174.700 0.048 0.000 1.401 286 T CA -0.515 61.621 62.100 0.060 0.000 1.028 286 T CB 1.397 70.291 68.868 0.044 0.000 1.317 286 T HN 0.052 nan 8.240 nan 0.000 0.495 287 E N 0.563 120.790 120.200 0.046 0.000 2.107 287 E HA 0.033 4.383 4.350 0.000 0.000 0.191 287 E C 0.500 177.107 176.600 0.011 0.000 0.982 287 E CA 0.600 57.023 56.400 0.039 0.000 0.809 287 E CB 0.308 30.032 29.700 0.040 0.000 0.756 287 E HN 0.444 nan 8.360 nan 0.000 0.459 288 Q N 0.331 120.135 119.800 0.007 0.000 2.271 288 Q HA 0.173 4.513 4.340 0.000 0.000 0.268 288 Q C -0.474 175.530 176.000 0.007 0.000 1.021 288 Q CA -0.248 55.558 55.803 0.005 0.000 0.802 288 Q CB 1.747 30.482 28.738 -0.005 0.000 1.282 288 Q HN 0.078 nan 8.270 nan 0.000 0.431 289 L N 4.077 125.304 121.223 0.006 0.000 2.349 289 L HA 0.382 4.722 4.340 0.000 0.000 0.200 289 L C -0.270 176.579 176.870 -0.036 0.000 1.064 289 L CA 0.995 55.797 54.840 -0.062 0.000 0.821 289 L CB 0.546 42.514 42.059 -0.151 0.000 1.027 289 L HN 0.583 nan 8.230 nan 0.000 0.476 290 L N -0.053 121.175 121.223 0.008 0.000 2.352 290 L HA 0.331 4.671 4.340 0.000 0.000 0.269 290 L C -1.518 175.356 176.870 0.008 0.000 1.034 290 L CA -1.732 53.078 54.840 -0.050 0.000 0.806 290 L CB 0.478 42.428 42.059 -0.181 0.000 1.244 290 L HN -0.135 nan 8.230 nan 0.000 0.447 291 P HA -0.024 nan 4.420 nan 0.000 0.218 291 P C 0.245 177.493 177.300 -0.087 0.000 1.152 291 P CA 0.855 63.935 63.100 -0.032 0.000 0.826 291 P CB 0.238 31.900 31.700 -0.063 0.000 0.790 292 T N -5.302 109.047 114.554 -0.342 0.000 2.676 292 T HA 0.550 4.900 4.350 0.000 0.000 0.269 292 T C 1.461 175.552 174.700 -1.015 0.000 0.952 292 T CA -0.112 61.672 62.100 -0.528 0.000 1.040 292 T CB 0.582 69.254 68.868 -0.328 0.000 1.352 292 T HN -0.074 nan 8.240 nan 0.000 0.554 293 G N -0.045 108.392 108.800 -0.604 0.000 2.403 293 G HA2 0.310 4.270 3.960 0.000 0.000 0.216 293 G HA3 0.310 4.270 3.960 0.000 0.000 0.216 293 G C 0.236 174.990 174.900 -0.244 0.000 1.154 293 G CA 0.609 45.522 45.100 -0.312 0.000 0.784 293 G HN 0.825 nan 8.290 nan 0.000 0.538 294 T N -0.260 114.110 114.554 -0.306 0.000 2.991 294 T HA 0.485 4.835 4.350 0.000 0.000 0.303 294 T C -1.149 173.393 174.700 -0.263 0.000 1.015 294 T CA -0.434 61.529 62.100 -0.229 0.000 1.007 294 T CB 2.735 71.548 68.868 -0.091 0.000 1.034 294 T HN -0.074 nan 8.240 nan 0.000 0.446 295 V N 4.166 123.946 119.914 -0.222 0.000 2.417 295 V HA 0.483 4.603 4.120 0.000 0.000 0.291 295 V C -0.186 175.760 176.094 -0.247 0.000 1.024 295 V CA -0.977 61.166 62.300 -0.263 0.000 0.861 295 V CB 1.618 33.275 31.823 -0.277 0.000 0.985 295 V HN 0.733 nan 8.190 nan 0.000 0.436 296 N N 2.718 121.265 118.700 -0.254 0.000 2.487 296 N HA 0.485 5.225 4.740 0.000 0.000 0.292 296 N C -1.127 174.224 175.510 -0.265 0.000 1.108 296 N CA -0.278 52.730 53.050 -0.069 0.000 0.956 296 N CB 1.246 39.776 38.487 0.072 0.000 1.176 296 N HN 0.589 nan 8.380 nan 0.000 0.484 297 Y N 0.880 121.273 120.300 0.156 0.000 2.748 297 Y HA 0.305 4.855 4.550 -0.000 0.000 0.359 297 Y C -1.571 174.347 175.900 0.030 0.000 1.030 297 Y CA -1.530 56.623 58.100 0.089 0.000 1.169 297 Y CB 1.611 40.135 38.460 0.107 0.000 1.127 297 Y HN 0.513 nan 8.280 nan 0.000 0.644 298 P HA -0.115 nan 4.420 nan 0.000 0.218 298 P C 0.432 177.748 177.300 0.027 0.000 1.148 298 P CA 1.606 64.793 63.100 0.144 0.000 0.822 298 P CB 0.439 32.173 31.700 0.056 0.000 0.784 299 N N -1.752 116.950 118.700 0.003 0.000 2.170 299 N HA 0.112 4.852 4.740 0.000 0.000 0.222 299 N C -0.303 175.158 175.510 -0.081 0.000 1.218 299 N CA 0.236 53.257 53.050 -0.047 0.000 0.889 299 N CB 0.910 39.352 38.487 -0.074 0.000 1.083 299 N HN 0.180 nan 8.380 nan 0.000 0.520 300 D N 0.034 120.396 120.400 -0.063 0.000 2.581 300 D HA 0.351 4.991 4.640 0.000 0.000 0.232 300 D C -0.493 175.619 176.300 -0.313 0.000 1.143 300 D CA -0.189 53.660 54.000 -0.251 0.000 0.881 300 D CB 2.080 42.696 40.800 -0.306 0.000 1.500 300 D HN -0.189 nan 8.370 nan 0.000 0.458 301 Y N -0.606 119.464 120.300 -0.384 0.000 2.503 301 Y HA -0.275 4.275 4.550 0.000 0.000 0.022 301 Y C 1.081 176.640 175.900 -0.568 0.000 1.698 301 Y CA 0.212 57.928 58.100 -0.640 0.000 1.422 301 Y CB -1.033 36.622 38.460 -1.342 0.000 2.067 301 Y HN 0.512 nan 8.280 nan 0.000 0.253 302 A N 0.563 123.190 122.820 -0.322 0.000 1.930 302 A HA 0.081 4.401 4.320 0.000 0.000 0.215 302 A C 0.389 177.876 177.584 -0.161 0.000 1.176 302 A CA 1.379 53.356 52.037 -0.099 0.000 0.632 302 A CB -0.663 18.450 19.000 0.189 0.000 0.819 302 A HN 0.681 nan 8.150 nan 0.000 0.445 303 Y N -1.128 119.034 120.300 -0.230 0.000 2.326 303 Y HA 0.450 5.000 4.550 0.000 0.000 0.333 303 Y C 1.467 177.219 175.900 -0.248 0.000 1.240 303 Y CA -0.234 57.571 58.100 -0.492 0.000 1.365 303 Y CB -0.223 37.748 38.460 -0.815 0.000 1.289 303 Y HN 0.040 nan 8.280 nan 0.000 0.548 304 T N -1.020 113.482 114.554 -0.087 0.000 2.985 304 T HA 0.135 4.485 4.350 0.000 0.000 0.266 304 T C 0.265 175.032 174.700 0.113 0.000 1.076 304 T CA 0.728 62.701 62.100 -0.212 0.000 1.135 304 T CB -0.270 68.351 68.868 -0.411 0.000 0.890 304 T HN 0.871 nan 8.240 nan 0.000 0.480 305 R N -0.699 119.953 120.500 0.253 0.000 2.765 305 R HA 0.586 4.926 4.340 0.000 0.000 0.277 305 R C -2.393 173.933 176.300 0.044 0.000 1.028 305 R CA -1.035 55.227 56.100 0.270 0.000 0.860 305 R CB 1.021 31.410 30.300 0.148 0.000 1.270 305 R HN 0.019 nan 8.270 nan 0.000 0.484 306 V N 0.401 120.273 119.914 -0.070 0.000 2.769 306 V HA 0.704 4.824 4.120 0.000 0.000 0.312 306 V C -0.393 175.485 176.094 -0.361 0.000 1.061 306 V CA -0.853 61.179 62.300 -0.446 0.000 0.931 306 V CB 1.964 33.413 31.823 -0.624 0.000 1.010 306 V HN 0.825 nan 8.190 nan 0.000 0.433 307 S N 1.775 117.190 115.700 -0.475 0.000 2.536 307 S HA 0.535 5.005 4.470 0.000 0.000 0.287 307 S C -0.841 173.397 174.600 -0.603 0.000 1.101 307 S CA -0.662 57.266 58.200 -0.453 0.000 0.950 307 S CB 1.988 64.941 63.200 -0.412 0.000 1.056 307 S HN 0.873 nan 8.310 nan 0.000 0.481 308 E N 1.897 121.838 120.200 -0.431 0.000 2.114 308 E HA 0.348 4.698 4.350 0.000 0.000 0.266 308 E C -0.340 176.144 176.600 -0.193 0.000 0.896 308 E CA -0.450 55.773 56.400 -0.295 0.000 0.750 308 E CB 0.431 30.123 29.700 -0.014 0.000 1.121 308 E HN 0.613 nan 8.360 nan 0.000 0.413 309 F N 3.300 123.212 119.950 -0.064 0.000 2.171 309 F HA -0.133 4.394 4.527 0.000 0.000 0.300 309 F C 2.055 177.791 175.800 -0.107 0.000 1.090 309 F CA 0.794 58.705 58.000 -0.148 0.000 1.293 309 F CB 0.023 38.872 39.000 -0.252 0.000 1.013 309 F HN 0.440 nan 8.300 nan 0.000 0.486 310 K N -0.459 119.995 120.400 0.089 0.000 2.113 310 K HA -0.209 4.111 4.320 0.000 0.000 0.208 310 K C 1.825 178.406 176.600 -0.031 0.000 1.047 310 K CA 1.385 57.675 56.287 0.004 0.000 0.928 310 K CB -0.419 32.061 32.500 -0.034 0.000 0.716 310 K HN 0.410 nan 8.250 nan 0.000 0.446 311 H N 0.300 119.365 119.070 -0.008 0.000 2.352 311 H HA -0.104 4.452 4.556 0.000 0.000 0.299 311 H C 2.184 177.457 175.328 -0.091 0.000 1.097 311 H CA 1.552 57.620 56.048 0.032 0.000 1.311 311 H CB -0.013 29.794 29.762 0.075 0.000 1.377 311 H HN 0.183 nan 8.280 nan 0.000 0.504 312 I N 0.299 120.832 120.570 -0.062 0.000 2.235 312 I HA -0.184 3.986 4.170 0.000 0.000 0.241 312 I C 2.862 178.743 176.117 -0.394 0.000 1.085 312 I CA 1.492 62.529 61.300 -0.439 0.000 1.378 312 I CB -0.224 37.732 38.000 -0.073 0.000 1.076 312 I HN 0.283 nan 8.210 nan 0.000 0.415 313 T N -1.752 112.715 114.554 -0.145 0.000 2.851 313 T HA 0.093 4.443 4.350 0.000 0.000 0.262 313 T C 1.724 176.372 174.700 -0.087 0.000 1.043 313 T CA 1.021 63.058 62.100 -0.105 0.000 1.140 313 T CB -0.107 68.712 68.868 -0.082 0.000 0.872 313 T HN 0.540 nan 8.240 nan 0.000 0.446 314 G N 0.831 109.593 108.800 -0.063 0.000 2.176 314 G HA2 -0.249 3.711 3.960 0.000 0.000 0.232 314 G HA3 -0.249 3.711 3.960 0.000 0.000 0.232 314 G C -0.102 174.794 174.900 -0.007 0.000 0.986 314 G CA 0.204 45.289 45.100 -0.025 0.000 0.643 314 G HN 0.936 nan 8.290 nan 0.000 0.522 315 Q N 0.469 120.268 119.800 -0.002 0.000 2.315 315 Q HA 0.270 4.610 4.340 0.000 0.000 0.289 315 Q C 0.681 176.717 176.000 0.061 0.000 1.044 315 Q CA -0.120 55.708 55.803 0.041 0.000 0.920 315 Q CB 0.329 29.103 28.738 0.060 0.000 1.214 315 Q HN 0.524 nan 8.270 nan 0.000 0.392 316 R N 3.901 124.448 120.500 0.078 0.000 2.207 316 R HA 0.216 4.556 4.340 0.000 0.000 0.334 316 R C -1.257 175.127 176.300 0.139 0.000 1.013 316 R CA -0.304 55.845 56.100 0.081 0.000 0.858 316 R CB 0.630 30.959 30.300 0.049 0.000 1.094 316 R HN 0.692 nan 8.270 nan 0.000 0.457 317 H N 2.826 121.923 119.070 0.044 0.000 3.008 317 H HA 0.096 4.652 4.556 0.000 0.000 0.354 317 H C 0.046 175.419 175.328 0.075 0.000 1.252 317 H CA -0.465 55.623 56.048 0.067 0.000 1.117 317 H CB 1.514 31.294 29.762 0.031 0.000 1.857 317 H HN 0.894 nan 8.280 nan 0.000 0.547 318 H N 0.837 119.943 119.070 0.061 0.000 2.544 318 H HA 0.219 4.775 4.556 0.000 0.000 0.269 318 H C -0.291 175.169 175.328 0.220 0.000 0.970 318 H CA -0.012 56.096 56.048 0.100 0.000 1.219 318 H CB 1.206 30.963 29.762 -0.007 0.000 1.421 318 H HN 0.425 nan 8.280 nan 0.000 0.555 319 Q N 0.289 120.077 119.800 -0.019 0.000 2.823 319 Q HA 0.488 4.828 4.340 0.000 0.000 0.230 319 Q C -0.770 175.196 176.000 -0.056 0.000 1.026 319 Q CA -0.918 54.819 55.803 -0.110 0.000 0.940 319 Q CB 2.283 30.868 28.738 -0.256 0.000 1.382 319 Q HN 0.182 nan 8.270 nan 0.000 0.502 320 T N -0.375 114.133 114.554 -0.078 0.000 3.047 320 T HA 0.413 4.763 4.350 0.000 0.000 0.340 320 T C -1.739 172.960 174.700 -0.002 0.000 1.421 320 T CA -0.434 61.638 62.100 -0.046 0.000 1.090 320 T CB 1.416 70.291 68.868 0.013 0.000 1.292 320 T HN 0.417 nan 8.240 nan 0.000 0.480 321 S N 1.944 117.654 115.700 0.015 0.000 2.482 321 S HA 0.837 5.307 4.470 0.000 0.000 0.303 321 S C -0.102 174.552 174.600 0.090 0.000 1.091 321 S CA -0.618 57.633 58.200 0.085 0.000 1.057 321 S CB 1.487 64.749 63.200 0.103 0.000 1.031 321 S HN 0.944 nan 8.310 nan 0.000 0.485 322 V N 0.415 120.349 119.914 0.033 0.000 3.164 322 V HA 0.992 5.112 4.120 0.000 0.000 0.313 322 V C -0.784 175.185 176.094 -0.209 0.000 1.188 322 V CA -0.770 61.397 62.300 -0.222 0.000 1.058 322 V CB 1.719 33.383 31.823 -0.266 0.000 1.110 322 V HN 0.628 nan 8.190 nan 0.000 0.453 323 V N 0.658 120.287 119.914 -0.476 0.000 2.851 323 V HA 0.642 4.762 4.120 0.000 0.000 0.307 323 V C -1.882 173.913 176.094 -0.498 0.000 1.129 323 V CA -0.405 61.650 62.300 -0.407 0.000 0.932 323 V CB 2.150 33.729 31.823 -0.407 0.000 1.024 323 V HN 0.894 nan 8.190 nan 0.000 0.426 324 Y N 3.670 123.814 120.300 -0.260 0.000 2.360 324 Y HA 0.619 5.169 4.550 -0.000 0.000 0.337 324 Y C 0.456 176.220 175.900 -0.226 0.000 1.039 324 Y CA -0.529 57.337 58.100 -0.390 0.000 1.109 324 Y CB 1.704 39.762 38.460 -0.669 0.000 1.201 324 Y HN 0.553 nan 8.280 nan 0.000 0.458 325 E N 3.087 123.221 120.200 -0.110 0.000 2.133 325 E HA 0.288 4.638 4.350 0.000 0.000 0.274 325 E C -1.703 174.771 176.600 -0.210 0.000 0.930 325 E CA -0.804 55.572 56.400 -0.042 0.000 0.770 325 E CB 1.154 30.898 29.700 0.073 0.000 1.104 325 E HN 0.495 nan 8.360 nan 0.000 0.403 326 Y N 2.597 122.889 120.300 -0.014 0.000 2.342 326 Y HA 0.272 4.822 4.550 0.000 0.000 0.338 326 Y C -2.185 173.662 175.900 -0.088 0.000 0.965 326 Y CA -3.073 55.016 58.100 -0.019 0.000 1.159 326 Y CB 0.768 39.227 38.460 -0.003 0.000 1.157 326 Y HN 0.386 nan 8.280 nan 0.000 0.486 327 P HA 0.082 nan 4.420 nan 0.000 0.265 327 P C -0.285 177.019 177.300 0.006 0.000 1.187 327 P CA 0.141 63.207 63.100 -0.057 0.000 0.766 327 P CB 0.684 32.309 31.700 -0.126 0.000 0.820 328 R N 1.731 122.237 120.500 0.010 0.000 2.725 328 R HA 0.558 4.898 4.340 0.000 0.000 0.277 328 R C 0.618 176.946 176.300 0.046 0.000 0.987 328 R CA -0.848 55.271 56.100 0.032 0.000 0.901 328 R CB 1.914 32.235 30.300 0.036 0.000 1.207 328 R HN 0.389 nan 8.270 nan 0.000 0.463 329 A N 1.340 124.189 122.820 0.048 0.000 1.943 329 A HA 0.060 4.380 4.320 0.000 0.000 0.213 329 A C 0.214 177.838 177.584 0.067 0.000 1.181 329 A CA 0.992 53.068 52.037 0.065 0.000 0.653 329 A CB 0.140 19.174 19.000 0.057 0.000 0.833 329 A HN 0.550 nan 8.150 nan 0.000 0.451 330 E N -1.514 118.716 120.200 0.049 0.000 2.191 330 E HA 0.583 4.933 4.350 0.000 0.000 0.274 330 E C 0.129 176.753 176.600 0.040 0.000 0.948 330 E CA 0.724 57.149 56.400 0.042 0.000 0.802 330 E CB 1.666 31.382 29.700 0.027 0.000 1.137 330 E HN 0.652 nan 8.360 nan 0.000 0.397 331 G N 2.059 110.877 108.800 0.030 0.000 2.362 331 G HA2 0.004 3.964 3.960 0.000 0.000 0.288 331 G HA3 0.004 3.964 3.960 0.000 0.000 0.288 331 G C -1.461 173.410 174.900 -0.048 0.000 1.305 331 G CA -1.079 44.031 45.100 0.017 0.000 0.910 331 G HN 0.431 nan 8.290 nan 0.000 0.518 332 D N 1.660 121.986 120.400 -0.123 0.000 2.414 332 D HA 0.425 5.065 4.640 0.000 0.000 0.242 332 D C -2.068 173.868 176.300 -0.606 0.000 1.129 332 D CA -0.344 53.475 54.000 -0.301 0.000 0.885 332 D CB 1.072 41.715 40.800 -0.261 0.000 1.198 332 D HN 0.100 nan 8.370 nan 0.000 0.437 333 P HA 0.059 nan 4.420 nan 0.000 0.266 333 P C -0.385 176.645 177.300 -0.449 0.000 1.215 333 P CA 0.408 63.279 63.100 -0.382 0.000 0.763 333 P CB 0.155 31.499 31.700 -0.594 0.000 0.806 334 Y N 1.026 121.387 120.300 0.101 0.000 2.652 334 Y HA 0.231 4.781 4.550 0.000 0.000 0.275 334 Y C 0.264 176.082 175.900 -0.137 0.000 1.133 334 Y CA -0.157 57.947 58.100 0.007 0.000 1.246 334 Y CB 0.423 38.942 38.460 0.098 0.000 1.334 334 Y HN 0.193 nan 8.280 nan 0.000 0.493 335 Y N 1.233 121.653 120.300 0.201 0.000 2.350 335 Y HA 0.440 4.990 4.550 0.000 0.000 0.338 335 Y C -2.636 173.365 175.900 0.167 0.000 0.961 335 Y CA -3.658 54.472 58.100 0.049 0.000 1.100 335 Y CB 1.010 39.403 38.460 -0.112 0.000 1.179 335 Y HN -0.189 nan 8.280 nan 0.000 0.454 336 P HA 0.069 nan 4.420 nan 0.000 0.270 336 P C -0.748 176.485 177.300 -0.112 0.000 1.223 336 P CA -0.156 62.705 63.100 -0.400 0.000 0.785 336 P CB 0.764 31.886 31.700 -0.963 0.000 0.923 337 V N 3.719 123.576 119.914 -0.096 0.000 2.250 337 V HA 0.218 4.338 4.120 0.000 0.000 0.268 337 V C -2.207 173.866 176.094 -0.036 0.000 1.043 337 V CA -1.851 60.483 62.300 0.057 0.000 0.814 337 V CB 0.731 32.671 31.823 0.195 0.000 1.072 337 V HN 0.481 nan 8.190 nan 0.000 0.451 338 P HA 0.160 nan 4.420 nan 0.000 0.257 338 P C -0.216 177.045 177.300 -0.065 0.000 1.227 338 P CA 0.384 63.445 63.100 -0.066 0.000 0.981 338 P CB -0.049 31.616 31.700 -0.060 0.000 1.044 339 R N 2.839 123.345 120.500 0.011 0.000 2.629 339 R HA 0.447 4.787 4.340 0.000 0.000 0.266 339 R C -2.828 173.497 176.300 0.041 0.000 1.051 339 R CA -2.011 54.092 56.100 0.005 0.000 0.895 339 R CB 0.337 30.634 30.300 -0.006 0.000 1.246 339 R HN -0.087 nan 8.270 nan 0.000 0.459 340 P HA -0.335 nan 4.420 nan 0.000 0.216 340 P C 0.891 178.216 177.300 0.042 0.000 1.167 340 P CA 2.122 65.242 63.100 0.034 0.000 0.914 340 P CB 0.041 31.752 31.700 0.018 0.000 0.793 341 E N -1.065 119.155 120.200 0.035 0.000 2.209 341 E HA -0.241 4.109 4.350 0.000 0.000 0.196 341 E C 1.434 178.062 176.600 0.048 0.000 0.993 341 E CA 1.307 57.727 56.400 0.033 0.000 0.819 341 E CB -0.865 28.854 29.700 0.030 0.000 0.745 341 E HN 0.213 nan 8.360 nan 0.000 0.477 342 N N 1.268 120.011 118.700 0.071 0.000 2.250 342 N HA 0.016 4.756 4.740 0.000 0.000 0.181 342 N C 1.833 177.410 175.510 0.112 0.000 1.017 342 N CA 1.459 54.565 53.050 0.092 0.000 0.866 342 N CB -0.394 38.189 38.487 0.160 0.000 0.985 342 N HN 0.333 nan 8.380 nan 0.000 0.429 343 A N 1.529 124.434 122.820 0.142 0.000 1.865 343 A HA -0.200 4.120 4.320 0.000 0.000 0.217 343 A C 2.069 179.735 177.584 0.137 0.000 1.191 343 A CA 1.719 53.862 52.037 0.177 0.000 0.623 343 A CB -0.681 18.399 19.000 0.133 0.000 0.826 343 A HN 0.370 nan 8.150 nan 0.000 0.444 344 E N -0.326 119.912 120.200 0.065 0.000 2.058 344 E HA -0.182 4.168 4.350 0.000 0.000 0.194 344 E C 2.016 178.604 176.600 -0.020 0.000 0.997 344 E CA 1.148 57.552 56.400 0.007 0.000 0.801 344 E CB -0.324 29.368 29.700 -0.014 0.000 0.746 344 E HN 0.576 nan 8.360 nan 0.000 0.450 345 L N 0.316 121.545 121.223 0.011 0.000 2.042 345 L HA -0.244 4.096 4.340 0.000 0.000 0.210 345 L C 2.521 179.446 176.870 0.092 0.000 1.076 345 L CA 1.584 56.439 54.840 0.024 0.000 0.749 345 L CB -0.253 41.850 42.059 0.074 0.000 0.893 345 L HN 0.274 nan 8.230 nan 0.000 0.432 346 Y N 0.796 121.071 120.300 -0.042 0.000 2.200 346 Y HA -0.256 4.294 4.550 0.000 0.000 0.290 346 Y C 2.527 178.447 175.900 0.033 0.000 1.137 346 Y CA 1.644 59.726 58.100 -0.030 0.000 1.163 346 Y CB -0.232 38.133 38.460 -0.157 0.000 0.988 346 Y HN 0.025 nan 8.280 nan 0.000 0.518 347 K N 0.322 120.611 120.400 -0.186 0.000 2.160 347 K HA -0.197 4.123 4.320 0.000 0.000 0.206 347 K C 2.080 178.495 176.600 -0.308 0.000 1.047 347 K CA 1.688 57.807 56.287 -0.280 0.000 0.930 347 K CB -0.056 32.373 32.500 -0.119 0.000 0.720 347 K HN 0.340 nan 8.250 nan 0.000 0.450 348 K N -0.274 119.941 120.400 -0.309 0.000 2.026 348 K HA -0.161 4.159 4.320 0.000 0.000 0.208 348 K C 2.097 178.517 176.600 -0.300 0.000 1.048 348 K CA 1.600 57.607 56.287 -0.468 0.000 0.929 348 K CB -0.259 31.698 32.500 -0.904 0.000 0.713 348 K HN 0.239 nan 8.250 nan 0.000 0.439 349 Y N 1.403 121.636 120.300 -0.112 0.000 2.293 349 Y HA -0.159 4.391 4.550 0.000 0.000 0.291 349 Y C 2.552 178.254 175.900 -0.331 0.000 1.137 349 Y CA 1.072 59.114 58.100 -0.097 0.000 1.202 349 Y CB 0.001 38.507 38.460 0.077 0.000 0.990 349 Y HN 0.228 nan 8.280 nan 0.000 0.537 350 E N 0.314 120.270 120.200 -0.407 0.000 2.106 350 E HA -0.217 4.133 4.350 0.000 0.000 0.192 350 E C 2.306 178.732 176.600 -0.290 0.000 0.984 350 E CA 0.877 56.984 56.400 -0.488 0.000 0.806 350 E CB -0.112 29.145 29.700 -0.738 0.000 0.750 350 E HN 0.446 nan 8.360 nan 0.000 0.458 351 A N 1.160 123.825 122.820 -0.258 0.000 1.902 351 A HA -0.140 4.180 4.320 0.000 0.000 0.217 351 A C 2.194 179.663 177.584 -0.192 0.000 1.181 351 A CA 0.998 52.922 52.037 -0.188 0.000 0.623 351 A CB -0.568 18.326 19.000 -0.177 0.000 0.818 351 A HN 0.283 nan 8.150 nan 0.000 0.443 352 L N -0.950 120.095 121.223 -0.296 0.000 2.093 352 L HA -0.172 4.168 4.340 0.000 0.000 0.208 352 L C 3.099 179.805 176.870 -0.274 0.000 1.085 352 L CA 1.058 55.635 54.840 -0.437 0.000 0.755 352 L CB -0.699 40.748 42.059 -1.020 0.000 0.904 352 L HN 0.452 nan 8.230 nan 0.000 0.435 353 A N 0.030 122.695 122.820 -0.259 0.000 1.877 353 A HA -0.221 4.099 4.320 0.000 0.000 0.216 353 A C 1.903 179.470 177.584 -0.027 0.000 1.186 353 A CA 1.912 53.786 52.037 -0.273 0.000 0.620 353 A CB -0.502 17.920 19.000 -0.963 0.000 0.822 353 A HN 0.324 nan 8.150 nan 0.000 0.443 354 D N 0.001 120.369 120.400 -0.054 0.000 2.178 354 D HA -0.026 4.614 4.640 0.000 0.000 0.201 354 D C 1.982 178.317 176.300 0.058 0.000 0.980 354 D CA 1.420 55.437 54.000 0.029 0.000 0.842 354 D CB -0.262 40.534 40.800 -0.007 0.000 0.948 354 D HN 0.443 nan 8.370 nan 0.000 0.472 355 A N 0.291 123.128 122.820 0.029 0.000 2.169 355 A HA 0.333 4.653 4.320 0.000 0.000 0.212 355 A C 1.289 178.933 177.584 0.101 0.000 1.153 355 A CA 0.483 52.546 52.037 0.044 0.000 0.756 355 A CB -0.150 18.851 19.000 0.001 0.000 0.813 355 A HN 0.157 nan 8.150 nan 0.000 0.471 356 A N 0.332 123.254 122.820 0.171 0.000 2.484 356 A HA 0.334 4.654 4.320 0.000 0.000 0.268 356 A C 1.094 178.784 177.584 0.177 0.000 1.114 356 A CA -0.270 51.912 52.037 0.241 0.000 0.780 356 A CB 0.126 19.375 19.000 0.415 0.000 1.061 356 A HN 0.495 nan 8.150 nan 0.000 0.505 357 Q N 1.377 121.253 119.800 0.126 0.000 2.020 357 Q HA -0.098 4.242 4.340 0.000 0.000 0.198 357 Q C 0.019 176.067 176.000 0.080 0.000 0.974 357 Q CA 1.332 57.195 55.803 0.100 0.000 0.829 357 Q CB 0.016 28.799 28.738 0.074 0.000 0.894 357 Q HN 0.824 nan 8.270 nan 0.000 0.433 358 D N 0.300 120.694 120.400 -0.008 0.000 2.395 358 D HA 0.121 4.761 4.640 0.000 0.000 0.226 358 D C -0.494 175.450 176.300 -0.592 0.000 1.146 358 D CA 0.121 53.993 54.000 -0.212 0.000 0.830 358 D CB 0.658 41.382 40.800 -0.126 0.000 0.958 358 D HN -0.087 nan 8.370 nan 0.000 0.501 359 V N 0.481 120.223 119.914 -0.288 0.000 2.531 359 V HA 0.338 4.458 4.120 0.000 0.000 0.301 359 V C 0.128 176.189 176.094 -0.054 0.000 1.034 359 V CA -0.632 61.485 62.300 -0.304 0.000 0.865 359 V CB 2.272 33.914 31.823 -0.302 0.000 0.995 359 V HN -0.130 nan 8.190 nan 0.000 0.424 360 T N 5.470 120.042 114.554 0.031 0.000 2.788 360 T HA 0.587 4.937 4.350 0.000 0.000 0.296 360 T C -0.558 174.168 174.700 0.043 0.000 1.009 360 T CA -0.098 62.130 62.100 0.213 0.000 0.949 360 T CB 0.261 69.350 68.868 0.368 0.000 0.946 360 T HN 0.281 nan 8.240 nan 0.000 0.453 361 F N 2.767 122.778 119.950 0.102 0.000 2.420 361 F HA 0.589 5.116 4.527 0.000 0.000 0.352 361 F C 0.437 176.315 175.800 0.130 0.000 1.108 361 F CA -0.662 57.403 58.000 0.108 0.000 1.162 361 F CB 1.037 40.103 39.000 0.111 0.000 1.118 361 F HN 0.218 nan 8.300 nan 0.000 0.510 362 V N 2.965 123.018 119.914 0.231 0.000 2.851 362 V HA 0.918 5.038 4.120 0.000 0.000 0.307 362 V C -0.470 175.713 176.094 0.148 0.000 1.129 362 V CA 0.296 62.709 62.300 0.189 0.000 0.932 362 V CB 1.371 33.277 31.823 0.138 0.000 1.024 362 V HN 1.172 nan 8.190 nan 0.000 0.426 363 G N 5.156 114.071 108.800 0.191 0.000 2.381 363 G HA2 -0.036 3.924 3.960 0.000 0.000 0.672 363 G HA3 -0.036 3.924 3.960 0.000 0.000 0.672 363 G C 0.102 175.115 174.900 0.187 0.000 1.324 363 G CA 0.137 45.344 45.100 0.179 0.000 0.975 363 G HN 1.280 nan 8.290 nan 0.000 0.593 364 R N -0.420 120.185 120.500 0.176 0.000 2.081 364 R HA 0.028 4.368 4.340 0.000 0.000 0.235 364 R C 2.180 178.536 176.300 0.093 0.000 1.131 364 R CA 2.058 58.231 56.100 0.121 0.000 0.960 364 R CB -0.355 30.027 30.300 0.137 0.000 0.856 364 R HN 0.538 nan 8.270 nan 0.000 0.436 365 L N -0.069 121.203 121.223 0.080 0.000 2.068 365 L HA 0.056 4.396 4.340 0.000 0.000 0.204 365 L C 2.708 179.712 176.870 0.223 0.000 1.076 365 L CA 1.022 55.913 54.840 0.084 0.000 0.753 365 L CB -0.527 41.467 42.059 -0.108 0.000 0.910 365 L HN 0.286 nan 8.230 nan 0.000 0.439 366 A N -0.136 122.796 122.820 0.187 0.000 2.066 366 A HA -0.120 4.200 4.320 0.000 0.000 0.218 366 A C 2.065 179.894 177.584 0.408 0.000 1.157 366 A CA 1.805 54.050 52.037 0.347 0.000 0.670 366 A CB -0.564 18.618 19.000 0.303 0.000 0.804 366 A HN 0.494 nan 8.150 nan 0.000 0.453 367 T N -7.199 107.531 114.554 0.293 0.000 3.132 367 T HA 0.207 4.557 4.350 0.000 0.000 0.274 367 T C 0.220 174.890 174.700 -0.049 0.000 1.011 367 T CA 0.025 62.283 62.100 0.263 0.000 0.899 367 T CB -0.482 68.530 68.868 0.240 0.000 1.089 367 T HN 0.640 nan 8.240 nan 0.000 0.543 368 Y N 2.103 122.297 120.300 -0.176 0.000 3.027 368 Y HA -0.251 4.299 4.550 0.000 0.000 0.195 368 Y C -0.292 175.409 175.900 -0.332 0.000 1.381 368 Y CA 0.078 57.991 58.100 -0.312 0.000 1.015 368 Y CB -1.657 36.317 38.460 -0.810 0.000 1.329 368 Y HN 0.484 nan 8.280 nan 0.000 0.462 369 R N 1.292 121.609 120.500 -0.306 0.000 2.686 369 R HA 0.296 4.636 4.340 0.000 0.000 0.286 369 R C -0.982 175.165 176.300 -0.256 0.000 0.969 369 R CA -1.165 54.672 56.100 -0.439 0.000 0.898 369 R CB 1.066 30.829 30.300 -0.895 0.000 1.183 369 R HN 0.153 nan 8.270 nan 0.000 0.456 370 Y N 3.727 123.880 120.300 -0.245 0.000 2.603 370 Y HA 0.124 4.674 4.550 0.000 0.000 0.341 370 Y C -1.072 174.901 175.900 0.120 0.000 1.272 370 Y CA -0.611 57.489 58.100 -0.001 0.000 1.891 370 Y CB -0.430 38.089 38.460 0.097 0.000 1.910 370 Y HN 0.362 nan 8.280 nan 0.000 0.432 371 Y N 1.939 122.411 120.300 0.286 0.000 2.334 371 Y HA 0.279 4.829 4.550 0.000 0.000 0.328 371 Y C 0.747 176.730 175.900 0.139 0.000 1.130 371 Y CA -1.563 56.629 58.100 0.154 0.000 1.163 371 Y CB 0.737 39.254 38.460 0.096 0.000 1.207 371 Y HN 0.347 nan 8.280 nan 0.000 0.471 372 N N 1.748 120.569 118.700 0.201 0.000 2.322 372 N HA 0.176 4.916 4.740 0.000 0.000 0.270 372 N C 1.284 176.762 175.510 -0.053 0.000 1.286 372 N CA -0.159 52.917 53.050 0.045 0.000 0.948 372 N CB 0.443 38.851 38.487 -0.133 0.000 1.164 372 N HN 0.644 nan 8.380 nan 0.000 0.551 373 M N 0.303 119.820 119.600 -0.139 0.000 2.067 373 M HA -0.175 4.305 4.480 0.000 0.000 0.260 373 M C 1.392 177.492 176.300 -0.334 0.000 1.069 373 M CA 1.486 56.598 55.300 -0.313 0.000 1.117 373 M CB -0.410 31.996 32.600 -0.323 0.000 1.334 373 M HN 0.544 nan 8.290 nan 0.000 0.407 374 D N -0.012 120.211 120.400 -0.295 0.000 2.218 374 D HA -0.210 4.430 4.640 0.000 0.000 0.204 374 D C 1.612 177.789 176.300 -0.205 0.000 0.976 374 D CA 1.426 55.311 54.000 -0.191 0.000 0.853 374 D CB -0.519 40.030 40.800 -0.418 0.000 0.939 374 D HN 0.518 nan 8.370 nan 0.000 0.481 375 Q N 0.192 119.817 119.800 -0.292 0.000 2.096 375 Q HA 0.007 4.348 4.340 0.000 0.000 0.197 375 Q C 2.657 178.415 176.000 -0.403 0.000 0.964 375 Q CA 0.727 56.268 55.803 -0.436 0.000 0.838 375 Q CB 0.134 28.462 28.738 -0.682 0.000 0.906 375 Q HN 0.154 nan 8.270 nan 0.000 0.444 376 V N 0.665 120.453 119.914 -0.210 0.000 2.392 376 V HA -0.246 3.874 4.120 0.000 0.000 0.249 376 V C 2.253 178.348 176.094 0.002 0.000 1.059 376 V CA 1.399 63.695 62.300 -0.006 0.000 1.051 376 V CB -0.498 31.396 31.823 0.118 0.000 0.658 376 V HN 0.180 nan 8.190 nan 0.000 0.455 377 V N 0.272 120.162 119.914 -0.040 0.000 2.255 377 V HA -0.301 3.819 4.120 0.000 0.000 0.247 377 V C 2.736 178.819 176.094 -0.019 0.000 1.051 377 V CA 2.249 64.565 62.300 0.027 0.000 1.018 377 V CB -1.197 30.667 31.823 0.068 0.000 0.641 377 V HN 0.572 nan 8.190 nan 0.000 0.445 378 A N -0.911 121.872 122.820 -0.061 0.000 1.883 378 A HA -0.351 3.969 4.320 0.000 0.000 0.217 378 A C 2.265 179.822 177.584 -0.047 0.000 1.186 378 A CA 2.379 54.376 52.037 -0.067 0.000 0.624 378 A CB -0.675 18.267 19.000 -0.097 0.000 0.822 378 A HN 0.631 nan 8.150 nan 0.000 0.444 379 Q N -0.705 119.061 119.800 -0.056 0.000 2.135 379 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 379 Q C 2.127 178.163 176.000 0.061 0.000 0.981 379 Q CA 1.604 57.423 55.803 0.027 0.000 0.856 379 Q CB -0.326 28.469 28.738 0.096 0.000 0.902 379 Q HN 0.629 nan 8.270 nan 0.000 0.425 380 A N 0.362 123.210 122.820 0.048 0.000 1.969 380 A HA -0.085 4.235 4.320 0.000 0.000 0.218 380 A C 1.965 179.568 177.584 0.033 0.000 1.169 380 A CA 0.763 52.831 52.037 0.051 0.000 0.635 380 A CB -0.397 18.634 19.000 0.052 0.000 0.810 380 A HN 0.432 nan 8.150 nan 0.000 0.445 381 L N -1.056 120.160 121.223 -0.012 0.000 2.072 381 L HA -0.105 4.235 4.340 0.000 0.000 0.205 381 L C 3.011 179.924 176.870 0.072 0.000 1.079 381 L CA 0.991 55.826 54.840 -0.008 0.000 0.752 381 L CB -0.453 41.542 42.059 -0.107 0.000 0.906 381 L HN 0.421 nan 8.230 nan 0.000 0.436 382 A N -0.896 121.950 122.820 0.042 0.000 2.067 382 A HA -0.141 4.179 4.320 0.000 0.000 0.219 382 A C 2.273 179.891 177.584 0.056 0.000 1.158 382 A CA 1.891 53.953 52.037 0.042 0.000 0.661 382 A CB -0.599 18.423 19.000 0.037 0.000 0.801 382 A HN 0.345 nan 8.150 nan 0.000 0.452 383 T N -1.068 113.537 114.554 0.085 0.000 2.896 383 T HA -0.030 4.320 4.350 0.000 0.000 0.263 383 T C 1.548 176.310 174.700 0.104 0.000 1.050 383 T CA 1.280 63.438 62.100 0.097 0.000 1.140 383 T CB -0.315 68.621 68.868 0.114 0.000 0.877 383 T HN 0.514 nan 8.240 nan 0.000 0.457 384 F N 2.583 122.510 119.950 -0.040 0.000 2.102 384 F HA -0.007 4.520 4.527 0.000 0.000 0.298 384 F C 2.291 178.067 175.800 -0.040 0.000 1.105 384 F CA 1.142 59.104 58.000 -0.064 0.000 1.239 384 F CB -0.290 38.656 39.000 -0.089 0.000 0.991 384 F HN -0.072 nan 8.300 nan 0.000 0.474 385 R N 0.074 120.465 120.500 -0.181 0.000 2.083 385 R HA -0.167 4.173 4.340 0.000 0.000 0.237 385 R C 2.415 178.584 176.300 -0.218 0.000 1.137 385 R CA 1.927 57.867 56.100 -0.266 0.000 0.951 385 R CB -0.418 29.828 30.300 -0.090 0.000 0.851 385 R HN 0.317 nan 8.270 nan 0.000 0.434 386 R N 0.152 120.587 120.500 -0.109 0.000 2.066 386 R HA -0.086 4.254 4.340 0.000 0.000 0.232 386 R C 2.186 178.435 176.300 -0.085 0.000 1.131 386 R CA 0.969 57.030 56.100 -0.065 0.000 0.955 386 R CB -0.417 29.881 30.300 -0.003 0.000 0.851 386 R HN 0.067 nan 8.270 nan 0.000 0.432 387 L N 1.279 122.448 121.223 -0.091 0.000 2.189 387 L HA -0.184 4.156 4.340 0.000 0.000 0.214 387 L C 1.317 178.115 176.870 -0.120 0.000 1.097 387 L CA 1.661 56.457 54.840 -0.073 0.000 0.764 387 L CB -0.702 41.345 42.059 -0.020 0.000 0.900 387 L HN 0.163 nan 8.230 nan 0.000 0.436 388 Q N 0.000 119.647 119.800 -0.256 0.000 2.315 388 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 388 Q CA 0.000 55.657 55.803 -0.243 0.000 1.022 388 Q CB 0.000 28.484 28.738 -0.424 0.000 1.108 388 Q HN 0.000 nan 8.270 nan 0.000 0.481