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_E DATA FIRST_RESID 29 DATA SEQUENCE GFDYLIVGAG FAGSVLAERL ASSGQRVLIV DRRPHIGGNA YDCYDDAGVL DATA SEQUENCE IHPYGPHIFH TNSKDVFEYL SRFTEWRPYQ HRVLASVDGQ LLPIPINLDT DATA SEQUENCE VNRLYGLNLT SFQVEEFFAS VAEKVEQVRT SEDVVVSKVG RDLYNKFFRG DATA SEQUENCE YTRKQWGLDP SELDASVTAR VPTRTNRDNR YFADTYQAMP LHGYTRMFQN DATA SEQUENCE MLSSPNIKVM LNTDYREIAD FIPFQHMIYT GPVDAFFDFC YGKLPYRSLE DATA SEQUENCE FRHETHDTEQ LLPTGTVNYP NDYAYTRVSE FKHITGQRHH QTSVVYEYPR DATA SEQUENCE AEGDPYYPVP RPENAELYKK YEALADAAQD VTFVGRLATY RYYNMDQVVA DATA SEQUENCE QALATFRRLQ G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 29 G HA2 0.000 nan 3.960 nan 0.000 0.244 29 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 29 G C 0.000 174.628 174.900 -0.453 0.000 0.946 29 G CA 0.000 44.971 45.100 -0.215 0.000 0.502 30 F N 1.014 121.035 119.950 0.118 0.000 2.577 30 F HA 0.518 5.044 4.527 -0.000 0.000 0.318 30 F C 0.538 176.410 175.800 0.120 0.000 1.065 30 F CA -0.769 57.306 58.000 0.125 0.000 0.929 30 F CB 2.182 41.267 39.000 0.141 0.000 1.237 30 F HN 0.233 nan 8.300 nan 0.000 0.468 31 D N 0.184 120.764 120.400 0.300 0.000 2.183 31 D HA -0.085 4.555 4.640 -0.000 0.000 0.203 31 D C -0.463 175.825 176.300 -0.021 0.000 0.969 31 D CA 1.828 55.905 54.000 0.127 0.000 0.842 31 D CB 0.013 40.928 40.800 0.192 0.000 0.957 31 D HN 0.317 nan 8.370 nan 0.000 0.484 32 Y N -0.833 119.622 120.300 0.259 0.000 2.492 32 Y HA 0.413 4.963 4.550 -0.000 0.000 0.346 32 Y C -0.765 175.168 175.900 0.055 0.000 0.997 32 Y CA -1.276 56.938 58.100 0.190 0.000 1.025 32 Y CB 2.140 40.676 38.460 0.126 0.000 1.263 32 Y HN -0.281 nan 8.280 nan 0.000 0.454 33 L N 4.914 126.180 121.223 0.071 0.000 2.316 33 L HA 0.621 4.961 4.340 -0.000 0.000 0.280 33 L C -1.429 175.321 176.870 -0.200 0.000 1.006 33 L CA -0.361 54.311 54.840 -0.280 0.000 0.836 33 L CB 0.364 41.873 42.059 -0.917 0.000 1.221 33 L HN 0.504 nan 8.230 nan 0.000 0.418 34 I N 5.961 126.428 120.570 -0.171 0.000 2.321 34 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 34 I C -0.515 175.484 176.117 -0.197 0.000 0.998 34 I CA -0.880 60.330 61.300 -0.150 0.000 1.227 34 I CB 1.638 39.568 38.000 -0.116 0.000 1.368 34 I HN 0.254 nan 8.210 nan 0.000 0.466 35 V N 5.771 125.549 119.914 -0.228 0.000 2.318 35 V HA 0.705 4.825 4.120 -0.000 0.000 0.271 35 V C 0.490 176.418 176.094 -0.278 0.000 1.030 35 V CA -0.341 61.812 62.300 -0.245 0.000 0.844 35 V CB 0.437 32.068 31.823 -0.319 0.000 1.015 35 V HN 1.081 nan 8.190 nan 0.000 0.460 36 G N 4.062 112.733 108.800 -0.215 0.000 3.363 36 G HA2 0.300 4.260 3.960 -0.000 0.000 0.685 36 G HA3 0.300 4.260 3.960 -0.000 0.000 0.685 36 G C -0.118 174.672 174.900 -0.183 0.000 1.199 36 G CA -0.255 44.714 45.100 -0.217 0.000 0.946 36 G HN 1.290 nan 8.290 nan 0.000 0.558 37 A N 1.550 124.250 122.820 -0.200 0.000 2.545 37 A HA 0.754 5.074 4.320 -0.000 0.000 0.277 37 A C 1.574 179.005 177.584 -0.255 0.000 1.301 37 A CA 1.271 53.191 52.037 -0.194 0.000 0.935 37 A CB -0.174 18.703 19.000 -0.205 0.000 1.093 37 A HN 2.096 nan 8.150 nan 0.000 0.519 38 G N -1.026 107.645 108.800 -0.215 0.000 2.468 38 G HA2 0.333 4.293 3.960 -0.000 0.000 0.264 38 G HA3 0.333 4.293 3.960 -0.000 0.000 0.264 38 G C 0.643 175.552 174.900 0.015 0.000 1.460 38 G CA -0.267 44.702 45.100 -0.218 0.000 1.060 38 G HN 0.176 nan 8.290 nan 0.000 0.543 39 F N 0.768 120.851 119.950 0.221 0.000 2.075 39 F HA -0.041 4.486 4.527 -0.000 0.000 0.297 39 F C 3.129 179.010 175.800 0.135 0.000 1.113 39 F CA 1.766 59.941 58.000 0.293 0.000 1.218 39 F CB -0.372 38.778 39.000 0.250 0.000 0.984 39 F HN 0.339 nan 8.300 nan 0.000 0.472 40 A N 0.312 123.298 122.820 0.276 0.000 1.884 40 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 40 A C 2.477 180.101 177.584 0.066 0.000 1.197 40 A CA 2.288 54.411 52.037 0.144 0.000 0.637 40 A CB -1.677 17.379 19.000 0.094 0.000 0.827 40 A HN 0.449 nan 8.150 nan 0.000 0.450 41 G N -1.780 107.031 108.800 0.019 0.000 2.408 41 G HA2 0.021 3.981 3.960 -0.000 0.000 0.215 41 G HA3 0.021 3.981 3.960 -0.000 0.000 0.215 41 G C 1.786 176.665 174.900 -0.036 0.000 1.156 41 G CA 1.149 46.223 45.100 -0.043 0.000 0.793 41 G HN 0.501 nan 8.290 nan 0.000 0.535 42 S N 0.115 115.822 115.700 0.011 0.000 2.387 42 S HA -0.063 4.407 4.470 -0.000 0.000 0.226 42 S C 2.496 177.062 174.600 -0.056 0.000 1.026 42 S CA 0.888 59.084 58.200 -0.006 0.000 0.972 42 S CB -0.133 63.138 63.200 0.118 0.000 0.814 42 S HN 0.155 nan 8.310 nan 0.000 0.477 43 V N 2.029 121.949 119.914 0.010 0.000 2.332 43 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 43 V C 2.179 178.217 176.094 -0.092 0.000 1.055 43 V CA 1.557 63.867 62.300 0.017 0.000 1.038 43 V CB -0.612 31.270 31.823 0.100 0.000 0.651 43 V HN 0.386 nan 8.190 nan 0.000 0.450 44 L N -0.218 120.948 121.223 -0.096 0.000 2.056 44 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 44 L C 2.687 179.436 176.870 -0.203 0.000 1.078 44 L CA 1.519 56.263 54.840 -0.160 0.000 0.749 44 L CB -0.696 41.300 42.059 -0.104 0.000 0.901 44 L HN 0.340 nan 8.230 nan 0.000 0.433 45 A N -0.620 122.110 122.820 -0.149 0.000 1.908 45 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 45 A C 2.321 179.822 177.584 -0.137 0.000 1.181 45 A CA 1.957 53.915 52.037 -0.133 0.000 0.627 45 A CB -0.520 18.418 19.000 -0.104 0.000 0.818 45 A HN 0.419 nan 8.150 nan 0.000 0.445 46 E N -0.292 119.814 120.200 -0.157 0.000 2.106 46 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 46 E C 2.135 178.636 176.600 -0.166 0.000 0.984 46 E CA 0.745 57.059 56.400 -0.144 0.000 0.806 46 E CB -0.173 29.407 29.700 -0.200 0.000 0.750 46 E HN 0.404 nan 8.360 nan 0.000 0.458 47 R N 0.055 120.351 120.500 -0.340 0.000 2.090 47 R HA -0.039 4.301 4.340 -0.000 0.000 0.228 47 R C 2.338 178.272 176.300 -0.609 0.000 1.110 47 R CA 0.366 56.004 56.100 -0.771 0.000 0.973 47 R CB -0.628 28.749 30.300 -1.538 0.000 0.869 47 R HN 0.198 nan 8.270 nan 0.000 0.440 48 L N 0.438 121.474 121.223 -0.312 0.000 2.072 48 L HA 0.059 4.399 4.340 -0.000 0.000 0.205 48 L C 2.329 179.212 176.870 0.022 0.000 1.079 48 L CA 1.642 56.451 54.840 -0.052 0.000 0.752 48 L CB -1.175 40.756 42.059 -0.214 0.000 0.906 48 L HN 0.085 nan 8.230 nan 0.000 0.436 49 A N -0.949 121.862 122.820 -0.016 0.000 1.969 49 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 49 A C 2.434 180.044 177.584 0.043 0.000 1.169 49 A CA 1.644 53.701 52.037 0.033 0.000 0.635 49 A CB -0.698 18.312 19.000 0.017 0.000 0.810 49 A HN 0.532 nan 8.150 nan 0.000 0.445 50 S N 0.058 115.770 115.700 0.019 0.000 2.481 50 S HA -0.055 4.415 4.470 -0.000 0.000 0.231 50 S C 1.476 176.128 174.600 0.086 0.000 0.996 50 S CA 1.183 59.410 58.200 0.045 0.000 0.942 50 S CB -0.543 62.676 63.200 0.031 0.000 0.768 50 S HN 0.887 nan 8.310 nan 0.000 0.520 51 S N -0.414 115.360 115.700 0.123 0.000 2.573 51 S HA 0.588 5.058 4.470 -0.000 0.000 0.244 51 S C 1.329 176.011 174.600 0.137 0.000 0.984 51 S CA 0.172 58.474 58.200 0.169 0.000 1.001 51 S CB -0.331 63.044 63.200 0.292 0.000 0.788 51 S HN 1.301 nan 8.310 nan 0.000 0.456 52 G N 0.832 109.698 108.800 0.110 0.000 2.253 52 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.251 52 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.251 52 G C 0.025 174.997 174.900 0.121 0.000 0.998 52 G CA -0.018 45.142 45.100 0.101 0.000 0.621 52 G HN 0.581 nan 8.290 nan 0.000 0.524 53 Q N 0.744 120.639 119.800 0.158 0.000 2.364 53 Q HA 0.297 4.637 4.340 -0.000 0.000 0.267 53 Q C 0.523 176.644 176.000 0.202 0.000 0.999 53 Q CA 0.167 56.098 55.803 0.214 0.000 0.886 53 Q CB 0.649 29.576 28.738 0.314 0.000 1.243 53 Q HN 0.441 nan 8.270 nan 0.000 0.415 54 R N 1.444 122.081 120.500 0.229 0.000 2.202 54 R HA 0.381 4.721 4.340 -0.000 0.000 0.334 54 R C -0.790 175.751 176.300 0.401 0.000 1.036 54 R CA -0.298 55.962 56.100 0.266 0.000 0.878 54 R CB 0.722 31.142 30.300 0.200 0.000 1.067 54 R HN 0.313 nan 8.270 nan 0.000 0.457 55 V N 5.239 125.346 119.914 0.321 0.000 2.555 55 V HA 0.343 4.463 4.120 -0.000 0.000 0.302 55 V C -0.573 175.494 176.094 -0.046 0.000 1.038 55 V CA -0.997 61.417 62.300 0.190 0.000 0.887 55 V CB 1.894 33.767 31.823 0.082 0.000 0.991 55 V HN 0.506 nan 8.190 nan 0.000 0.434 56 L N 6.034 127.031 121.223 -0.376 0.000 2.295 56 L HA 0.635 4.975 4.340 -0.000 0.000 0.281 56 L C -0.605 176.052 176.870 -0.354 0.000 1.018 56 L CA 0.104 54.552 54.840 -0.652 0.000 0.841 56 L CB 0.927 42.161 42.059 -1.375 0.000 1.218 56 L HN 0.690 nan 8.230 nan 0.000 0.424 57 I N 5.050 125.476 120.570 -0.239 0.000 2.428 57 I HA 0.614 4.784 4.170 -0.000 0.000 0.296 57 I C -1.058 174.949 176.117 -0.184 0.000 0.985 57 I CA -0.466 60.722 61.300 -0.186 0.000 1.260 57 I CB 1.632 39.549 38.000 -0.138 0.000 1.389 57 I HN 0.521 nan 8.210 nan 0.000 0.484 58 V N 6.810 126.621 119.914 -0.172 0.000 3.078 58 V HA 0.628 4.748 4.120 -0.000 0.000 0.311 58 V C -1.567 174.446 176.094 -0.135 0.000 1.138 58 V CA -0.318 61.895 62.300 -0.144 0.000 1.007 58 V CB 2.278 34.023 31.823 -0.130 0.000 1.045 58 V HN 0.849 nan 8.190 nan 0.000 0.432 59 D N 2.540 122.863 120.400 -0.128 0.000 2.886 59 D HA 0.277 4.917 4.640 -0.000 0.000 0.216 59 D C 0.536 176.756 176.300 -0.134 0.000 1.256 59 D CA -0.423 53.488 54.000 -0.148 0.000 0.844 59 D CB 2.129 42.799 40.800 -0.216 0.000 1.669 59 D HN 0.691 nan 8.370 nan 0.000 0.513 60 R N 2.421 122.854 120.500 -0.111 0.000 2.189 60 R HA 0.069 4.409 4.340 -0.000 0.000 0.223 60 R C 0.384 176.606 176.300 -0.129 0.000 1.092 60 R CA 0.272 56.318 56.100 -0.091 0.000 0.989 60 R CB 0.211 30.479 30.300 -0.054 0.000 0.876 60 R HN 0.166 nan 8.270 nan 0.000 0.457 61 R N 1.141 121.514 120.500 -0.212 0.000 2.637 61 R HA 0.137 4.477 4.340 -0.000 0.000 0.269 61 R C -1.888 174.223 176.300 -0.315 0.000 1.089 61 R CA -1.841 54.076 56.100 -0.304 0.000 1.177 61 R CB 0.444 30.418 30.300 -0.543 0.000 1.091 61 R HN 0.029 nan 8.270 nan 0.000 0.540 62 P HA 0.053 nan 4.420 nan 0.000 0.253 62 P C -1.218 175.979 177.300 -0.172 0.000 1.260 62 P CA 0.497 63.499 63.100 -0.163 0.000 0.800 62 P CB 0.106 31.767 31.700 -0.065 0.000 1.162 63 H N -1.855 117.041 119.070 -0.290 0.000 2.990 63 H HA 0.569 5.125 4.556 -0.000 0.000 0.343 63 H C -0.184 174.935 175.328 -0.348 0.000 1.270 63 H CA -1.530 54.282 56.048 -0.393 0.000 1.118 63 H CB 0.324 29.538 29.762 -0.913 0.000 1.861 63 H HN -0.186 nan 8.280 nan 0.000 0.544 64 I N -1.869 118.657 120.570 -0.073 0.000 2.934 64 I HA 0.697 4.867 4.170 -0.000 0.000 0.315 64 I C 1.042 177.046 176.117 -0.188 0.000 0.997 64 I CA -0.266 60.942 61.300 -0.152 0.000 1.184 64 I CB 1.192 39.128 38.000 -0.106 0.000 1.400 64 I HN 1.106 nan 8.210 nan 0.000 0.549 65 G N 1.111 109.528 108.800 -0.637 0.000 2.213 65 G HA2 -0.009 3.950 3.960 -0.000 0.000 0.236 65 G HA3 -0.009 3.950 3.960 -0.000 0.000 0.236 65 G C 0.930 175.385 174.900 -0.742 0.000 0.991 65 G CA 0.148 44.460 45.100 -1.314 0.000 0.629 65 G HN 2.123 nan 8.290 nan 0.000 0.517 66 G N 0.817 109.397 108.800 -0.367 0.000 2.591 66 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.298 66 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.298 66 G C 0.958 175.729 174.900 -0.216 0.000 1.195 66 G CA 1.051 45.991 45.100 -0.267 0.000 0.989 66 G HN 1.079 nan 8.290 nan 0.000 0.551 67 N N 1.135 119.705 118.700 -0.217 0.000 2.188 67 N HA 0.068 4.808 4.740 -0.000 0.000 0.184 67 N C 2.480 177.788 175.510 -0.336 0.000 1.018 67 N CA 2.017 54.944 53.050 -0.204 0.000 0.858 67 N CB -0.702 37.853 38.487 0.114 0.000 0.989 67 N HN 0.961 nan 8.380 nan 0.000 0.426 68 A N 0.040 122.643 122.820 -0.362 0.000 2.216 68 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 68 A C 0.569 177.870 177.584 -0.471 0.000 1.160 68 A CA -0.082 51.575 52.037 -0.633 0.000 0.725 68 A CB -0.870 17.960 19.000 -0.284 0.000 0.784 68 A HN 0.387 nan 8.150 nan 0.000 0.472 69 Y N 2.570 122.638 120.300 -0.388 0.000 2.810 69 Y HA 0.226 4.776 4.550 -0.000 0.000 0.332 69 Y C -0.048 175.676 175.900 -0.292 0.000 1.243 69 Y CA -0.194 57.712 58.100 -0.323 0.000 1.537 69 Y CB 0.263 38.486 38.460 -0.397 0.000 1.265 69 Y HN 0.519 nan 8.280 nan 0.000 0.572 70 D N 4.612 124.525 120.400 -0.812 0.000 2.477 70 D HA 0.612 5.252 4.640 -0.000 0.000 0.234 70 D C -1.009 174.719 176.300 -0.953 0.000 1.048 70 D CA -0.536 53.049 54.000 -0.692 0.000 0.959 70 D CB 1.153 41.835 40.800 -0.198 0.000 1.408 70 D HN 0.758 nan 8.370 nan 0.000 0.496 71 C N -2.326 116.568 119.300 -0.677 0.000 3.275 71 C HA 0.650 5.110 4.460 -0.000 0.000 0.340 71 C C -1.436 173.306 174.990 -0.413 0.000 1.366 71 C CA -1.174 57.555 59.018 -0.482 0.000 1.227 71 C CB -0.172 27.322 27.740 -0.411 0.000 1.512 71 C HN 0.624 nan 8.230 nan 0.000 0.461 72 Y N 2.191 122.358 120.300 -0.221 0.000 2.304 72 Y HA 0.462 5.012 4.550 -0.000 0.000 0.328 72 Y C 1.041 176.840 175.900 -0.168 0.000 1.123 72 Y CA 0.718 58.712 58.100 -0.175 0.000 1.218 72 Y CB 0.848 39.242 38.460 -0.108 0.000 1.207 72 Y HN 0.866 nan 8.280 nan 0.000 0.495 73 D N -0.080 120.282 120.400 -0.062 0.000 2.478 73 D HA 0.026 4.666 4.640 -0.000 0.000 0.269 73 D C 0.231 176.522 176.300 -0.016 0.000 1.232 73 D CA -0.395 53.555 54.000 -0.084 0.000 1.059 73 D CB 0.453 41.167 40.800 -0.143 0.000 1.104 73 D HN 0.399 nan 8.370 nan 0.000 0.566 74 D N -1.160 119.224 120.400 -0.027 0.000 2.351 74 D HA -0.010 4.630 4.640 -0.000 0.000 0.216 74 D C 1.295 177.605 176.300 0.018 0.000 0.968 74 D CA 1.158 55.156 54.000 -0.002 0.000 0.899 74 D CB -0.169 40.627 40.800 -0.007 0.000 0.907 74 D HN 0.503 nan 8.370 nan 0.000 0.514 75 A N -0.922 121.902 122.820 0.007 0.000 2.252 75 A HA 0.498 4.818 4.320 -0.000 0.000 0.213 75 A C 1.668 179.335 177.584 0.139 0.000 1.188 75 A CA 0.763 52.822 52.037 0.036 0.000 0.863 75 A CB 0.347 19.315 19.000 -0.053 0.000 0.893 75 A HN 0.176 nan 8.150 nan 0.000 0.495 76 G N -1.143 107.735 108.800 0.130 0.000 2.134 76 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.209 76 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.209 76 G C -0.023 175.057 174.900 0.301 0.000 0.993 76 G CA 0.018 45.289 45.100 0.285 0.000 0.669 76 G HN 0.773 nan 8.290 nan 0.000 0.519 77 V N 0.967 120.857 119.914 -0.041 0.000 2.481 77 V HA 0.639 4.759 4.120 -0.000 0.000 0.286 77 V C 0.713 176.610 176.094 -0.328 0.000 1.042 77 V CA -0.950 61.218 62.300 -0.220 0.000 0.928 77 V CB 1.747 33.352 31.823 -0.364 0.000 0.986 77 V HN 0.349 nan 8.190 nan 0.000 0.462 78 L N 6.973 127.908 121.223 -0.480 0.000 2.369 78 L HA 0.489 4.829 4.340 -0.000 0.000 0.279 78 L C -0.226 176.244 176.870 -0.665 0.000 1.108 78 L CA 0.703 55.094 54.840 -0.748 0.000 0.852 78 L CB -0.039 41.630 42.059 -0.650 0.000 1.169 78 L HN 0.650 nan 8.230 nan 0.000 0.452 79 I N 0.443 120.525 120.570 -0.814 0.000 3.042 79 I HA 0.522 4.691 4.170 -0.000 0.000 0.310 79 I C -1.032 174.427 176.117 -1.097 0.000 1.117 79 I CA -0.827 59.641 61.300 -1.387 0.000 1.003 79 I CB 2.158 39.591 38.000 -0.946 0.000 1.228 79 I HN 0.513 nan 8.210 nan 0.000 0.443 80 H N 2.681 120.894 119.070 -1.429 0.000 2.638 80 H HA 0.309 4.865 4.556 -0.000 0.000 0.303 80 H C -2.112 173.003 175.328 -0.355 0.000 1.034 80 H CA -1.914 53.790 56.048 -0.573 0.000 1.225 80 H CB 1.279 30.961 29.762 -0.134 0.000 1.394 80 H HN 0.442 nan 8.280 nan 0.000 0.477 81 P HA -0.204 nan 4.420 nan 0.000 0.216 81 P C -0.072 176.784 177.300 -0.741 0.000 1.150 81 P CA 1.441 64.212 63.100 -0.548 0.000 0.843 81 P CB 0.109 31.357 31.700 -0.753 0.000 0.787 82 Y N -0.810 119.224 120.300 -0.442 0.000 2.811 82 Y HA 0.504 5.054 4.550 -0.000 0.000 0.330 82 Y C 1.426 176.990 175.900 -0.560 0.000 1.081 82 Y CA -0.163 57.450 58.100 -0.812 0.000 1.408 82 Y CB -0.239 38.044 38.460 -0.296 0.000 1.235 82 Y HN -0.041 nan 8.280 nan 0.000 0.529 83 G N 0.914 109.515 108.800 -0.331 0.000 2.712 83 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.683 83 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.683 83 G C -3.207 172.058 174.900 0.609 0.000 1.320 83 G CA -1.563 43.714 45.100 0.294 0.000 0.847 83 G HN 0.021 nan 8.290 nan 0.000 0.553 84 P HA 0.387 nan 4.420 nan 0.000 0.275 84 P C -0.688 176.927 177.300 0.525 0.000 1.276 84 P CA 0.119 63.561 63.100 0.571 0.000 0.782 84 P CB 0.349 32.173 31.700 0.207 0.000 0.851 85 H N 3.213 122.593 119.070 0.517 0.000 2.638 85 H HA 0.434 4.990 4.556 -0.000 0.000 0.303 85 H C -0.233 175.373 175.328 0.463 0.000 1.034 85 H CA -0.372 55.840 56.048 0.275 0.000 1.225 85 H CB 0.077 29.781 29.762 -0.097 0.000 1.394 85 H HN 0.249 nan 8.280 nan 0.000 0.477 86 I N 3.716 124.559 120.570 0.455 0.000 2.330 86 I HA 0.121 4.291 4.170 -0.000 0.000 0.289 86 I C -0.241 176.185 176.117 0.515 0.000 1.001 86 I CA -0.525 61.079 61.300 0.507 0.000 1.193 86 I CB 0.405 38.616 38.000 0.351 0.000 1.345 86 I HN 0.393 nan 8.210 nan 0.000 0.461 87 F N 7.423 127.652 119.950 0.465 0.000 2.443 87 F HA 0.471 4.998 4.527 -0.000 0.000 0.353 87 F C 0.287 176.212 175.800 0.209 0.000 1.101 87 F CA 0.313 58.511 58.000 0.330 0.000 1.226 87 F CB 0.187 39.449 39.000 0.437 0.000 1.140 87 F HN 0.688 nan 8.300 nan 0.000 0.557 88 H N 1.095 119.611 119.070 -0.924 0.000 3.094 88 H HA 0.612 5.168 4.556 -0.000 0.000 0.346 88 H C -1.342 173.478 175.328 -0.848 0.000 1.238 88 H CA -1.009 54.602 56.048 -0.727 0.000 1.209 88 H CB 1.827 31.103 29.762 -0.810 0.000 1.911 88 H HN 0.636 nan 8.280 nan 0.000 0.540 89 T N 0.807 115.055 114.554 -0.511 0.000 2.893 89 T HA 0.213 4.563 4.350 -0.000 0.000 0.337 89 T C -0.655 174.001 174.700 -0.073 0.000 1.587 89 T CA -0.752 61.116 62.100 -0.386 0.000 1.066 89 T CB 1.296 69.949 68.868 -0.358 0.000 1.414 89 T HN 0.767 nan 8.240 nan 0.000 0.488 90 N N 0.992 119.659 118.700 -0.054 0.000 2.325 90 N HA 0.107 4.847 4.740 -0.000 0.000 0.182 90 N C 0.369 175.952 175.510 0.122 0.000 1.088 90 N CA 0.103 53.167 53.050 0.025 0.000 0.879 90 N CB 0.709 39.178 38.487 -0.030 0.000 0.983 90 N HN 0.486 nan 8.380 nan 0.000 0.471 91 S N 1.059 116.798 115.700 0.064 0.000 2.422 91 S HA 0.130 4.600 4.470 -0.000 0.000 0.283 91 S C 1.247 175.864 174.600 0.028 0.000 1.163 91 S CA -0.454 57.777 58.200 0.051 0.000 1.054 91 S CB 1.096 64.295 63.200 -0.002 0.000 0.967 91 S HN 0.120 nan 8.310 nan 0.000 0.499 92 K N 3.705 124.141 120.400 0.060 0.000 2.097 92 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 92 K C 0.853 177.442 176.600 -0.017 0.000 1.049 92 K CA 1.743 57.992 56.287 -0.063 0.000 0.933 92 K CB -0.100 32.455 32.500 0.091 0.000 0.717 92 K HN 0.630 nan 8.250 nan 0.000 0.442 93 D N 0.293 120.712 120.400 0.032 0.000 2.087 93 D HA -0.169 4.471 4.640 -0.000 0.000 0.192 93 D C 1.947 178.309 176.300 0.102 0.000 0.993 93 D CA 1.396 55.429 54.000 0.055 0.000 0.828 93 D CB -0.449 40.371 40.800 0.033 0.000 0.968 93 D HN -0.022 nan 8.370 nan 0.000 0.448 94 V N 0.752 120.727 119.914 0.102 0.000 2.252 94 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 94 V C 2.177 178.435 176.094 0.272 0.000 1.056 94 V CA 1.745 64.162 62.300 0.195 0.000 1.022 94 V CB -0.673 31.248 31.823 0.163 0.000 0.641 94 V HN 0.152 nan 8.190 nan 0.000 0.445 95 F N 0.965 120.910 119.950 -0.007 0.000 2.026 95 F HA -0.232 4.295 4.527 -0.000 0.000 0.296 95 F C 2.608 178.410 175.800 0.004 0.000 1.133 95 F CA 2.327 60.269 58.000 -0.096 0.000 1.188 95 F CB -0.221 38.416 39.000 -0.606 0.000 0.968 95 F HN 0.164 nan 8.300 nan 0.000 0.476 96 E N -1.118 119.081 120.200 -0.001 0.000 2.209 96 E HA -0.286 4.064 4.350 -0.000 0.000 0.196 96 E C 1.848 178.432 176.600 -0.027 0.000 0.993 96 E CA 1.366 57.740 56.400 -0.045 0.000 0.819 96 E CB -0.476 29.244 29.700 0.033 0.000 0.745 96 E HN 0.646 nan 8.360 nan 0.000 0.477 97 Y N 1.109 121.383 120.300 -0.045 0.000 2.133 97 Y HA -0.190 4.360 4.550 -0.000 0.000 0.287 97 Y C 1.964 177.873 175.900 0.016 0.000 1.134 97 Y CA 1.038 59.133 58.100 -0.009 0.000 1.133 97 Y CB -0.227 38.273 38.460 0.066 0.000 0.987 97 Y HN -0.047 nan 8.280 nan 0.000 0.502 98 L N 0.048 121.235 121.223 -0.059 0.000 2.131 98 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 98 L C 2.453 179.194 176.870 -0.215 0.000 1.092 98 L CA 1.763 56.545 54.840 -0.096 0.000 0.759 98 L CB -1.341 40.752 42.059 0.055 0.000 0.903 98 L HN 0.208 nan 8.230 nan 0.000 0.435 99 S N -0.832 114.739 115.700 -0.216 0.000 2.442 99 S HA -0.151 4.319 4.470 -0.000 0.000 0.236 99 S C 1.929 176.275 174.600 -0.423 0.000 1.007 99 S CA 0.723 58.767 58.200 -0.260 0.000 0.965 99 S CB -0.239 62.860 63.200 -0.169 0.000 0.773 99 S HN 0.449 nan 8.310 nan 0.000 0.504 100 R N -0.048 120.082 120.500 -0.617 0.000 2.189 100 R HA 0.001 4.341 4.340 -0.000 0.000 0.223 100 R C 0.604 176.287 176.300 -1.029 0.000 1.092 100 R CA 1.069 56.619 56.100 -0.917 0.000 0.989 100 R CB -0.207 29.278 30.300 -1.358 0.000 0.876 100 R HN 0.465 nan 8.270 nan 0.000 0.457 101 F N -1.337 118.378 119.950 -0.390 0.000 2.688 101 F HA 0.302 4.829 4.527 -0.000 0.000 0.310 101 F C 0.309 175.872 175.800 -0.396 0.000 1.098 101 F CA -0.359 57.423 58.000 -0.364 0.000 1.228 101 F CB 1.259 40.019 39.000 -0.400 0.000 1.042 101 F HN -0.245 nan 8.300 nan 0.000 0.557 102 T N -0.269 114.051 114.554 -0.390 0.000 3.003 102 T HA 0.233 4.583 4.350 -0.000 0.000 0.354 102 T C -0.991 173.274 174.700 -0.725 0.000 1.651 102 T CA -0.624 61.165 62.100 -0.519 0.000 1.103 102 T CB 1.241 69.706 68.868 -0.671 0.000 1.450 102 T HN 0.091 nan 8.240 nan 0.000 0.484 103 E N 1.211 121.081 120.200 -0.550 0.000 2.385 103 E HA 0.528 4.878 4.350 -0.000 0.000 0.254 103 E C -0.835 175.353 176.600 -0.687 0.000 1.228 103 E CA -0.532 55.577 56.400 -0.485 0.000 0.956 103 E CB 0.911 30.490 29.700 -0.201 0.000 1.116 103 E HN 0.508 nan 8.360 nan 0.000 0.507 104 W N -0.178 121.076 121.300 -0.075 0.000 2.882 104 W HA 0.426 5.086 4.660 -0.000 0.000 0.345 104 W C -0.277 176.239 176.519 -0.006 0.000 1.125 104 W CA -0.819 56.512 57.345 -0.023 0.000 1.167 104 W CB 1.337 30.853 29.460 0.094 0.000 1.431 104 W HN 0.131 nan 8.180 nan 0.000 0.543 105 R N 2.770 123.474 120.500 0.339 0.000 2.388 105 R HA 0.403 4.743 4.340 -0.000 0.000 0.314 105 R C -2.747 173.731 176.300 0.296 0.000 0.959 105 R CA -1.814 54.419 56.100 0.222 0.000 0.851 105 R CB 1.289 31.654 30.300 0.108 0.000 1.168 105 R HN 0.084 nan 8.270 nan 0.000 0.472 106 P HA -0.033 nan 4.420 nan 0.000 0.265 106 P C -1.618 175.875 177.300 0.322 0.000 1.193 106 P CA 0.418 63.663 63.100 0.242 0.000 0.765 106 P CB 0.140 31.941 31.700 0.167 0.000 0.823 107 Y N 1.155 121.546 120.300 0.153 0.000 2.294 107 Y HA 0.213 4.763 4.550 -0.000 0.000 0.316 107 Y C -1.602 174.410 175.900 0.187 0.000 1.265 107 Y CA -0.492 57.710 58.100 0.169 0.000 1.149 107 Y CB 1.176 39.759 38.460 0.205 0.000 1.293 107 Y HN 0.308 nan 8.280 nan 0.000 0.416 108 Q N 5.405 124.971 119.800 -0.389 0.000 2.462 108 Q HA 0.212 4.552 4.340 -0.000 0.000 0.247 108 Q C -1.009 174.637 176.000 -0.590 0.000 1.044 108 Q CA -0.927 54.663 55.803 -0.355 0.000 0.803 108 Q CB 0.807 29.464 28.738 -0.136 0.000 1.190 108 Q HN 0.666 nan 8.270 nan 0.000 0.507 109 H N 2.541 121.152 119.070 -0.766 0.000 3.115 109 H HA 0.020 4.576 4.556 -0.000 0.000 0.324 109 H C -0.617 174.544 175.328 -0.279 0.000 1.007 109 H CA 1.103 56.851 56.048 -0.499 0.000 1.385 109 H CB 0.410 30.100 29.762 -0.119 0.000 1.351 109 H HN 0.415 nan 8.280 nan 0.000 0.592 110 R N 3.307 123.442 120.500 -0.608 0.000 2.575 110 R HA 0.482 4.822 4.340 -0.000 0.000 0.293 110 R C -1.444 174.503 176.300 -0.588 0.000 0.983 110 R CA -1.010 54.817 56.100 -0.456 0.000 0.887 110 R CB 2.099 32.248 30.300 -0.252 0.000 1.184 110 R HN 0.308 nan 8.270 nan 0.000 0.445 111 V N 4.415 124.066 119.914 -0.439 0.000 2.540 111 V HA 0.409 4.529 4.120 -0.000 0.000 0.302 111 V C -0.697 175.260 176.094 -0.229 0.000 1.035 111 V CA -0.962 61.096 62.300 -0.403 0.000 0.873 111 V CB 1.839 33.356 31.823 -0.510 0.000 0.992 111 V HN 0.455 nan 8.190 nan 0.000 0.428 112 L N 3.731 124.824 121.223 -0.217 0.000 2.309 112 L HA 0.746 5.086 4.340 -0.000 0.000 0.282 112 L C 0.461 177.238 176.870 -0.155 0.000 1.036 112 L CA -0.429 54.318 54.840 -0.156 0.000 0.806 112 L CB 1.406 43.377 42.059 -0.146 0.000 1.220 112 L HN 0.799 nan 8.230 nan 0.000 0.429 113 A N 2.018 124.790 122.820 -0.080 0.000 2.260 113 A HA 0.426 4.746 4.320 -0.000 0.000 0.314 113 A C 0.334 177.853 177.584 -0.108 0.000 1.257 113 A CA -0.343 51.657 52.037 -0.062 0.000 0.871 113 A CB 0.491 19.570 19.000 0.131 0.000 1.166 113 A HN 0.662 nan 8.150 nan 0.000 0.522 114 S N 2.643 118.201 115.700 -0.237 0.000 2.519 114 S HA 0.373 4.843 4.470 -0.000 0.000 0.320 114 S C -0.349 174.176 174.600 -0.126 0.000 1.179 114 S CA -0.089 57.999 58.200 -0.187 0.000 1.173 114 S CB -0.942 62.088 63.200 -0.283 0.000 1.224 114 S HN 0.632 nan 8.310 nan 0.000 0.542 115 V N 5.020 124.852 119.914 -0.137 0.000 2.638 115 V HA 0.356 4.476 4.120 -0.000 0.000 0.306 115 V C -0.261 175.746 176.094 -0.144 0.000 1.052 115 V CA -0.850 61.317 62.300 -0.220 0.000 0.885 115 V CB 1.825 33.347 31.823 -0.502 0.000 0.999 115 V HN 0.809 nan 8.190 nan 0.000 0.424 116 D N 3.764 124.092 120.400 -0.121 0.000 2.751 116 D HA -0.178 4.462 4.640 -0.000 0.000 0.233 116 D C 1.326 177.603 176.300 -0.039 0.000 1.149 116 D CA 2.071 56.030 54.000 -0.069 0.000 0.682 116 D CB -1.072 39.689 40.800 -0.064 0.000 1.068 116 D HN 1.503 nan 8.370 nan 0.000 0.429 117 G N -1.088 107.696 108.800 -0.027 0.000 2.184 117 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.264 117 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.264 117 G C 0.296 175.193 174.900 -0.005 0.000 0.975 117 G CA 0.860 45.958 45.100 -0.003 0.000 0.642 117 G HN 0.548 nan 8.290 nan 0.000 0.536 118 Q N -1.049 118.736 119.800 -0.024 0.000 2.306 118 Q HA 0.761 5.101 4.340 -0.000 0.000 0.269 118 Q C -0.044 175.934 176.000 -0.038 0.000 1.053 118 Q CA -0.963 54.825 55.803 -0.025 0.000 0.879 118 Q CB 1.647 30.369 28.738 -0.026 0.000 1.344 118 Q HN 0.244 nan 8.270 nan 0.000 0.464 119 L N 2.558 123.758 121.223 -0.038 0.000 2.283 119 L HA 0.367 4.707 4.340 -0.000 0.000 0.281 119 L C -1.189 175.657 176.870 -0.040 0.000 1.033 119 L CA -0.564 54.242 54.840 -0.057 0.000 0.848 119 L CB 0.272 42.289 42.059 -0.069 0.000 1.226 119 L HN 0.259 nan 8.230 nan 0.000 0.429 120 L N 5.184 126.401 121.223 -0.010 0.000 2.334 120 L HA 0.624 4.964 4.340 -0.000 0.000 0.272 120 L C -2.198 174.664 176.870 -0.014 0.000 1.020 120 L CA -2.264 52.586 54.840 0.017 0.000 0.812 120 L CB 1.126 43.261 42.059 0.127 0.000 1.264 120 L HN 0.213 nan 8.230 nan 0.000 0.439 121 P HA 0.264 nan 4.420 nan 0.000 0.271 121 P C -0.993 176.219 177.300 -0.147 0.000 1.226 121 P CA 0.000 63.041 63.100 -0.099 0.000 0.765 121 P CB 0.662 32.300 31.700 -0.105 0.000 0.835 122 I N 5.653 126.145 120.570 -0.130 0.000 2.447 122 I HA 0.490 4.660 4.170 -0.000 0.000 0.287 122 I C -2.701 173.354 176.117 -0.102 0.000 1.023 122 I CA -3.554 57.644 61.300 -0.171 0.000 1.083 122 I CB 1.793 39.712 38.000 -0.135 0.000 1.245 122 I HN 0.173 nan 8.210 nan 0.000 0.434 123 P HA 0.136 nan 4.420 nan 0.000 0.267 123 P C -0.459 176.691 177.300 -0.251 0.000 1.201 123 P CA 0.156 63.106 63.100 -0.250 0.000 0.775 123 P CB 0.335 31.887 31.700 -0.247 0.000 0.854 124 I N 2.626 123.016 120.570 -0.300 0.000 2.683 124 I HA -0.002 4.168 4.170 -0.000 0.000 0.286 124 I C 1.118 177.161 176.117 -0.125 0.000 1.175 124 I CA 0.686 61.805 61.300 -0.303 0.000 1.429 124 I CB -0.146 37.660 38.000 -0.324 0.000 1.371 124 I HN 0.537 nan 8.210 nan 0.000 0.569 125 N N 5.479 124.135 118.700 -0.072 0.000 3.343 125 N HA 0.286 5.026 4.740 -0.000 0.000 0.330 125 N C 0.374 175.895 175.510 0.018 0.000 1.560 125 N CA -0.894 52.154 53.050 -0.002 0.000 0.752 125 N CB 0.482 38.935 38.487 -0.056 0.000 1.863 125 N HN 0.397 nan 8.380 nan 0.000 0.636 126 L N -0.098 121.117 121.223 -0.013 0.000 2.021 126 L HA -0.212 4.128 4.340 -0.000 0.000 0.215 126 L C 0.807 177.628 176.870 -0.082 0.000 1.074 126 L CA 2.217 57.019 54.840 -0.063 0.000 0.760 126 L CB -0.454 41.553 42.059 -0.085 0.000 0.889 126 L HN 0.547 nan 8.230 nan 0.000 0.433 127 D N -1.134 119.222 120.400 -0.074 0.000 2.144 127 D HA -0.150 4.490 4.640 -0.000 0.000 0.199 127 D C 1.982 178.236 176.300 -0.076 0.000 0.984 127 D CA 1.724 55.680 54.000 -0.074 0.000 0.834 127 D CB -0.240 40.519 40.800 -0.068 0.000 0.955 127 D HN 0.385 nan 8.370 nan 0.000 0.465 128 T N 1.195 115.703 114.554 -0.077 0.000 2.635 128 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 128 T C 2.343 176.986 174.700 -0.096 0.000 1.040 128 T CA 1.134 63.188 62.100 -0.077 0.000 1.156 128 T CB -0.497 68.288 68.868 -0.137 0.000 0.863 128 T HN -0.018 nan 8.240 nan 0.000 0.430 129 V N 2.319 122.173 119.914 -0.099 0.000 2.270 129 V HA -0.161 3.958 4.120 -0.000 0.000 0.245 129 V C 2.525 178.502 176.094 -0.195 0.000 1.043 129 V CA 1.570 63.767 62.300 -0.171 0.000 1.014 129 V CB -0.677 31.035 31.823 -0.185 0.000 0.645 129 V HN 0.410 nan 8.190 nan 0.000 0.447 130 N N 0.212 118.820 118.700 -0.154 0.000 2.149 130 N HA -0.149 4.591 4.740 -0.000 0.000 0.188 130 N C 1.990 177.451 175.510 -0.082 0.000 1.019 130 N CA 1.462 54.441 53.050 -0.118 0.000 0.857 130 N CB -0.307 38.117 38.487 -0.105 0.000 0.997 130 N HN 0.476 nan 8.380 nan 0.000 0.426 131 R N -0.185 120.263 120.500 -0.085 0.000 2.093 131 R HA 0.044 4.384 4.340 -0.000 0.000 0.224 131 R C 1.973 178.230 176.300 -0.070 0.000 1.101 131 R CA 0.350 56.413 56.100 -0.062 0.000 0.979 131 R CB -0.264 30.005 30.300 -0.052 0.000 0.877 131 R HN 0.112 nan 8.270 nan 0.000 0.441 132 L N -0.413 120.725 121.223 -0.142 0.000 2.072 132 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 132 L C 1.177 177.968 176.870 -0.131 0.000 1.079 132 L CA 1.768 56.486 54.840 -0.203 0.000 0.752 132 L CB -0.111 41.721 42.059 -0.379 0.000 0.906 132 L HN 0.085 nan 8.230 nan 0.000 0.436 133 Y N -0.139 120.161 120.300 -0.000 0.000 2.457 133 Y HA 0.457 5.007 4.550 -0.000 0.000 0.263 133 Y C 1.781 177.663 175.900 -0.031 0.000 1.164 133 Y CA -0.438 57.655 58.100 -0.011 0.000 1.274 133 Y CB -0.468 37.971 38.460 -0.034 0.000 1.097 133 Y HN 0.208 nan 8.280 nan 0.000 0.523 134 G N 0.931 109.780 108.800 0.081 0.000 2.221 134 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.265 134 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.265 134 G C 0.006 174.915 174.900 0.014 0.000 1.041 134 G CA 0.261 45.382 45.100 0.035 0.000 0.807 134 G HN 0.282 nan 8.290 nan 0.000 0.502 135 L N -0.798 120.423 121.223 -0.003 0.000 2.448 135 L HA 0.553 4.893 4.340 -0.000 0.000 0.258 135 L C 0.843 177.675 176.870 -0.063 0.000 1.104 135 L CA -1.002 53.808 54.840 -0.050 0.000 0.800 135 L CB 0.629 42.617 42.059 -0.118 0.000 1.241 135 L HN 0.052 nan 8.230 nan 0.000 0.472 136 N N 1.270 119.927 118.700 -0.071 0.000 2.646 136 N HA 0.310 5.050 4.740 -0.000 0.000 0.303 136 N C -1.016 174.453 175.510 -0.068 0.000 1.921 136 N CA -0.113 52.901 53.050 -0.061 0.000 0.872 136 N CB 0.752 39.217 38.487 -0.037 0.000 1.327 136 N HN 0.357 nan 8.380 nan 0.000 0.492 137 L N 0.885 122.044 121.223 -0.107 0.000 2.417 137 L HA 0.285 4.625 4.340 -0.000 0.000 0.268 137 L C 1.539 178.359 176.870 -0.082 0.000 1.158 137 L CA -0.174 54.603 54.840 -0.106 0.000 0.819 137 L CB 0.549 42.497 42.059 -0.185 0.000 1.112 137 L HN 0.154 nan 8.230 nan 0.000 0.458 138 T N -1.791 112.737 114.554 -0.043 0.000 2.847 138 T HA 0.161 4.511 4.350 -0.000 0.000 0.279 138 T C 1.129 175.756 174.700 -0.121 0.000 0.984 138 T CA -0.579 61.492 62.100 -0.049 0.000 0.988 138 T CB 1.499 70.408 68.868 0.068 0.000 1.040 138 T HN 0.528 nan 8.240 nan 0.000 0.528 139 S N 0.300 115.839 115.700 -0.268 0.000 2.374 139 S HA -0.061 4.409 4.470 -0.000 0.000 0.227 139 S C 1.525 175.959 174.600 -0.278 0.000 1.037 139 S CA 1.407 59.405 58.200 -0.338 0.000 1.024 139 S CB -0.778 62.115 63.200 -0.511 0.000 0.861 139 S HN 0.683 nan 8.310 nan 0.000 0.456 140 F N 1.686 121.634 119.950 -0.003 0.000 2.216 140 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 140 F C 2.586 178.390 175.800 0.006 0.000 1.085 140 F CA 0.810 58.813 58.000 0.005 0.000 1.326 140 F CB -0.754 38.247 39.000 0.001 0.000 1.027 140 F HN 0.229 nan 8.300 nan 0.000 0.497 141 Q N -0.449 119.435 119.800 0.140 0.000 2.137 141 Q HA -0.093 4.247 4.340 -0.000 0.000 0.198 141 Q C 2.439 178.456 176.000 0.028 0.000 0.960 141 Q CA 1.073 56.922 55.803 0.077 0.000 0.847 141 Q CB -0.444 28.317 28.738 0.038 0.000 0.915 141 Q HN 0.303 nan 8.270 nan 0.000 0.448 142 V N 1.023 120.908 119.914 -0.048 0.000 2.913 142 V HA -0.231 3.889 4.120 -0.000 0.000 0.260 142 V C 1.882 177.921 176.094 -0.090 0.000 1.098 142 V CA 1.593 63.794 62.300 -0.164 0.000 1.121 142 V CB -0.141 31.529 31.823 -0.256 0.000 0.714 142 V HN 0.350 nan 8.190 nan 0.000 0.487 143 E N -0.142 120.101 120.200 0.072 0.000 2.046 143 E HA -0.224 4.126 4.350 -0.000 0.000 0.190 143 E C 2.118 178.815 176.600 0.162 0.000 0.982 143 E CA 1.523 58.032 56.400 0.181 0.000 0.800 143 E CB -0.042 29.749 29.700 0.152 0.000 0.756 143 E HN 0.762 nan 8.360 nan 0.000 0.449 144 E N -0.037 120.233 120.200 0.116 0.000 2.077 144 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 144 E C 1.866 178.521 176.600 0.091 0.000 0.989 144 E CA 1.106 57.562 56.400 0.095 0.000 0.800 144 E CB -0.276 29.473 29.700 0.081 0.000 0.746 144 E HN 0.280 nan 8.360 nan 0.000 0.452 145 F N 0.931 120.841 119.950 -0.068 0.000 2.095 145 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 145 F C 1.793 177.566 175.800 -0.045 0.000 1.104 145 F CA 1.371 59.304 58.000 -0.111 0.000 1.232 145 F CB -0.164 38.697 39.000 -0.231 0.000 0.987 145 F HN -0.105 nan 8.300 nan 0.000 0.475 146 F N 0.830 120.836 119.950 0.093 0.000 2.126 146 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 146 F C 2.654 178.392 175.800 -0.105 0.000 1.096 146 F CA 1.118 59.105 58.000 -0.022 0.000 1.255 146 F CB -1.658 37.391 39.000 0.080 0.000 0.997 146 F HN 0.093 nan 8.300 nan 0.000 0.479 147 A N -0.235 122.663 122.820 0.130 0.000 1.933 147 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 147 A C 2.267 179.834 177.584 -0.029 0.000 1.175 147 A CA 1.966 54.030 52.037 0.045 0.000 0.628 147 A CB -1.175 17.854 19.000 0.049 0.000 0.814 147 A HN 0.394 nan 8.150 nan 0.000 0.444 148 S N -0.584 115.064 115.700 -0.087 0.000 2.607 148 S HA 0.076 4.546 4.470 -0.000 0.000 0.224 148 S C 1.208 175.699 174.600 -0.181 0.000 0.969 148 S CA 0.987 59.114 58.200 -0.122 0.000 0.927 148 S CB -0.305 62.822 63.200 -0.121 0.000 0.772 148 S HN 1.152 nan 8.310 nan 0.000 0.533 149 V N -3.222 116.565 119.914 -0.211 0.000 3.562 149 V HA 0.662 4.782 4.120 -0.000 0.000 0.270 149 V C 0.732 176.780 176.094 -0.076 0.000 1.418 149 V CA -0.108 62.082 62.300 -0.184 0.000 1.033 149 V CB -0.576 31.061 31.823 -0.309 0.000 0.820 149 V HN 0.493 nan 8.190 nan 0.000 0.441 150 A N 1.478 124.270 122.820 -0.048 0.000 2.488 150 A HA 0.423 4.743 4.320 -0.000 0.000 0.249 150 A C 0.241 177.799 177.584 -0.043 0.000 1.083 150 A CA -0.043 51.976 52.037 -0.030 0.000 0.768 150 A CB -0.284 18.705 19.000 -0.017 0.000 1.017 150 A HN 0.679 nan 8.150 nan 0.000 0.496 151 E N 2.192 122.360 120.200 -0.053 0.000 2.289 151 E HA 0.169 4.519 4.350 -0.000 0.000 0.278 151 E C -0.348 176.216 176.600 -0.060 0.000 1.032 151 E CA -0.720 55.646 56.400 -0.057 0.000 0.854 151 E CB 0.863 30.521 29.700 -0.071 0.000 1.046 151 E HN 0.349 nan 8.360 nan 0.000 0.409 152 K N 2.118 122.489 120.400 -0.049 0.000 2.350 152 K HA 0.237 4.557 4.320 -0.000 0.000 0.279 152 K C -0.776 175.793 176.600 -0.052 0.000 1.027 152 K CA -0.258 56.002 56.287 -0.046 0.000 0.969 152 K CB 1.136 33.614 32.500 -0.035 0.000 0.954 152 K HN 0.264 nan 8.250 nan 0.000 0.474 153 V N 3.362 123.243 119.914 -0.054 0.000 2.531 153 V HA 0.081 4.201 4.120 -0.000 0.000 0.301 153 V C 1.275 177.342 176.094 -0.045 0.000 1.034 153 V CA -0.621 61.645 62.300 -0.055 0.000 0.865 153 V CB 1.724 33.505 31.823 -0.071 0.000 0.995 153 V HN 0.767 nan 8.190 nan 0.000 0.424 154 E N 2.918 123.094 120.200 -0.039 0.000 2.021 154 E HA -0.175 4.175 4.350 -0.000 0.000 0.200 154 E C 0.902 177.483 176.600 -0.032 0.000 1.015 154 E CA 1.720 58.101 56.400 -0.032 0.000 0.824 154 E CB 0.173 29.857 29.700 -0.028 0.000 0.762 154 E HN 0.698 nan 8.360 nan 0.000 0.454 155 Q N -0.278 119.501 119.800 -0.035 0.000 2.290 155 Q HA 0.336 4.676 4.340 -0.000 0.000 0.269 155 Q C -1.707 174.269 176.000 -0.041 0.000 1.016 155 Q CA -0.609 55.174 55.803 -0.034 0.000 0.754 155 Q CB 1.889 30.610 28.738 -0.027 0.000 1.247 155 Q HN 0.017 nan 8.270 nan 0.000 0.451 156 V N 5.429 125.315 119.914 -0.046 0.000 2.446 156 V HA 0.102 4.222 4.120 -0.000 0.000 0.276 156 V C 0.856 176.921 176.094 -0.048 0.000 1.030 156 V CA 0.697 62.964 62.300 -0.056 0.000 1.033 156 V CB 0.553 32.338 31.823 -0.063 0.000 0.993 156 V HN 0.836 nan 8.190 nan 0.000 0.477 157 R N 2.109 122.579 120.500 -0.050 0.000 2.350 157 R HA 0.146 4.486 4.340 -0.000 0.000 0.199 157 R C 0.865 177.137 176.300 -0.046 0.000 0.876 157 R CA 0.512 56.588 56.100 -0.041 0.000 1.062 157 R CB 0.642 30.922 30.300 -0.033 0.000 1.263 157 R HN 0.750 nan 8.270 nan 0.000 0.641 158 T N -2.308 112.213 114.554 -0.055 0.000 2.948 158 T HA 0.276 4.626 4.350 -0.000 0.000 0.285 158 T C 0.955 175.615 174.700 -0.066 0.000 1.019 158 T CA -0.642 61.425 62.100 -0.055 0.000 1.013 158 T CB 2.007 70.847 68.868 -0.047 0.000 1.117 158 T HN -0.184 nan 8.240 nan 0.000 0.533 159 S N -0.414 115.253 115.700 -0.056 0.000 2.481 159 S HA -0.042 4.428 4.470 -0.000 0.000 0.231 159 S C 1.710 176.297 174.600 -0.023 0.000 0.996 159 S CA 0.849 59.020 58.200 -0.048 0.000 0.942 159 S CB -0.411 62.771 63.200 -0.031 0.000 0.768 159 S HN 0.857 nan 8.310 nan 0.000 0.520 160 E N 1.073 121.258 120.200 -0.024 0.000 2.158 160 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 160 E C 0.914 177.367 176.600 -0.245 0.000 0.982 160 E CA 0.946 57.272 56.400 -0.123 0.000 0.823 160 E CB 0.076 29.702 29.700 -0.124 0.000 0.766 160 E HN 0.322 nan 8.360 nan 0.000 0.468 161 D N 0.518 120.821 120.400 -0.160 0.000 2.097 161 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 161 D C 2.195 178.399 176.300 -0.160 0.000 0.984 161 D CA 1.747 55.655 54.000 -0.153 0.000 0.826 161 D CB -0.364 40.373 40.800 -0.106 0.000 0.973 161 D HN 0.281 nan 8.370 nan 0.000 0.460 162 V N -0.590 119.233 119.914 -0.152 0.000 2.332 162 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 162 V C 2.337 178.301 176.094 -0.216 0.000 1.055 162 V CA 1.325 63.526 62.300 -0.165 0.000 1.038 162 V CB -1.029 30.698 31.823 -0.160 0.000 0.651 162 V HN 0.023 nan 8.190 nan 0.000 0.450 163 V N -0.734 119.022 119.914 -0.263 0.000 2.374 163 V HA -0.035 4.085 4.120 -0.000 0.000 0.241 163 V C 2.624 178.603 176.094 -0.192 0.000 1.034 163 V CA 1.545 63.664 62.300 -0.302 0.000 1.037 163 V CB 0.252 31.826 31.823 -0.416 0.000 0.682 163 V HN 0.372 nan 8.190 nan 0.000 0.463 164 V N 1.401 121.166 119.914 -0.248 0.000 2.469 164 V HA -0.221 3.899 4.120 -0.000 0.000 0.251 164 V C 2.561 178.568 176.094 -0.146 0.000 1.064 164 V CA 2.462 64.618 62.300 -0.239 0.000 1.066 164 V CB -0.376 31.204 31.823 -0.405 0.000 0.667 164 V HN 0.771 nan 8.190 nan 0.000 0.461 165 S N -1.879 113.733 115.700 -0.147 0.000 2.603 165 S HA 0.032 4.502 4.470 -0.000 0.000 0.220 165 S C 1.562 176.105 174.600 -0.096 0.000 0.967 165 S CA 0.482 58.617 58.200 -0.108 0.000 0.920 165 S CB 0.027 63.165 63.200 -0.103 0.000 0.773 165 S HN 0.651 nan 8.310 nan 0.000 0.529 166 K N 0.541 120.868 120.400 -0.122 0.000 2.353 166 K HA 0.220 4.540 4.320 -0.000 0.000 0.206 166 K C 1.489 177.981 176.600 -0.181 0.000 1.191 166 K CA 0.966 57.161 56.287 -0.153 0.000 0.897 166 K CB 0.425 32.799 32.500 -0.210 0.000 1.283 166 K HN 0.321 nan 8.250 nan 0.000 0.477 167 V N -1.967 117.851 119.914 -0.160 0.000 3.528 167 V HA 0.446 4.565 4.120 -0.000 0.000 0.294 167 V C 0.556 176.742 176.094 0.152 0.000 1.404 167 V CA 0.112 62.371 62.300 -0.069 0.000 1.065 167 V CB -0.200 31.539 31.823 -0.140 0.000 0.904 167 V HN 0.420 nan 8.190 nan 0.000 0.435 168 G N 1.421 110.261 108.800 0.067 0.000 2.660 168 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.247 168 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.247 168 G C 0.137 175.112 174.900 0.125 0.000 1.328 168 G CA 0.380 45.522 45.100 0.071 0.000 0.884 168 G HN 0.598 nan 8.290 nan 0.000 0.531 169 R N -0.219 120.351 120.500 0.117 0.000 2.062 169 R HA 0.085 4.425 4.340 -0.000 0.000 0.226 169 R C 2.187 178.662 176.300 0.292 0.000 1.125 169 R CA 2.233 58.438 56.100 0.176 0.000 0.966 169 R CB -0.908 29.454 30.300 0.102 0.000 0.861 169 R HN 0.619 nan 8.270 nan 0.000 0.433 170 D N -0.081 120.465 120.400 0.243 0.000 2.092 170 D HA -0.151 4.489 4.640 -0.000 0.000 0.193 170 D C 1.884 178.387 176.300 0.338 0.000 0.994 170 D CA 1.677 55.837 54.000 0.267 0.000 0.828 170 D CB -0.134 40.826 40.800 0.266 0.000 0.963 170 D HN 0.271 nan 8.370 nan 0.000 0.450 171 L N -0.434 121.043 121.223 0.424 0.000 2.079 171 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 171 L C 2.385 179.581 176.870 0.544 0.000 1.081 171 L CA 1.268 56.422 54.840 0.525 0.000 0.752 171 L CB -0.710 41.658 42.059 0.515 0.000 0.896 171 L HN 0.234 nan 8.230 nan 0.000 0.433 172 Y N 1.569 122.065 120.300 0.327 0.000 2.081 172 Y HA -0.311 4.239 4.550 -0.000 0.000 0.280 172 Y C 2.482 178.569 175.900 0.311 0.000 1.163 172 Y CA 1.959 60.247 58.100 0.313 0.000 1.135 172 Y CB -0.346 38.206 38.460 0.152 0.000 0.970 172 Y HN 0.217 nan 8.280 nan 0.000 0.498 173 N N 0.585 119.357 118.700 0.120 0.000 2.084 173 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 173 N C 1.686 177.169 175.510 -0.046 0.000 1.030 173 N CA 1.896 54.920 53.050 -0.043 0.000 0.849 173 N CB -0.394 38.146 38.487 0.089 0.000 1.012 173 N HN 0.459 nan 8.380 nan 0.000 0.423 174 K N -0.718 119.681 120.400 -0.003 0.000 2.211 174 K HA -0.025 4.295 4.320 -0.000 0.000 0.203 174 K C 1.223 177.577 176.600 -0.411 0.000 1.050 174 K CA 0.918 57.075 56.287 -0.217 0.000 0.945 174 K CB -0.023 32.299 32.500 -0.298 0.000 0.732 174 K HN 0.191 nan 8.250 nan 0.000 0.451 175 F N -1.983 117.945 119.950 -0.036 0.000 2.557 175 F HA 0.156 4.683 4.527 -0.000 0.000 0.278 175 F C 1.531 177.140 175.800 -0.318 0.000 1.051 175 F CA 0.048 57.931 58.000 -0.195 0.000 1.357 175 F CB 0.235 39.070 39.000 -0.275 0.000 1.104 175 F HN -0.162 nan 8.300 nan 0.000 0.654 176 F N -0.469 119.525 119.950 0.073 0.000 2.399 176 F HA 0.217 4.744 4.527 -0.000 0.000 0.282 176 F C 2.406 178.160 175.800 -0.077 0.000 1.027 176 F CA 0.331 58.335 58.000 0.007 0.000 1.333 176 F CB -0.566 38.443 39.000 0.014 0.000 1.132 176 F HN -0.372 nan 8.300 nan 0.000 0.590 177 R N 0.770 121.149 120.500 -0.202 0.000 2.096 177 R HA -0.149 4.191 4.340 -0.000 0.000 0.240 177 R C 2.339 178.639 176.300 -0.001 0.000 1.139 177 R CA 1.837 57.803 56.100 -0.223 0.000 0.952 177 R CB -0.990 29.045 30.300 -0.442 0.000 0.854 177 R HN 0.410 nan 8.270 nan 0.000 0.436 178 G N -0.602 108.198 108.800 -0.000 0.000 2.421 178 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.216 178 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.216 178 G C 1.313 176.266 174.900 0.088 0.000 1.171 178 G CA 0.832 45.950 45.100 0.030 0.000 0.775 178 G HN 0.472 nan 8.290 nan 0.000 0.543 179 Y N 1.663 121.975 120.300 0.020 0.000 2.114 179 Y HA -0.187 4.363 4.550 -0.000 0.000 0.284 179 Y C 3.278 179.252 175.900 0.123 0.000 1.143 179 Y CA 2.363 60.496 58.100 0.055 0.000 1.135 179 Y CB -0.295 38.189 38.460 0.040 0.000 0.980 179 Y HN 0.218 nan 8.280 nan 0.000 0.499 180 T N 0.574 115.408 114.554 0.467 0.000 2.684 180 T HA -0.227 4.122 4.350 -0.000 0.000 0.267 180 T C 1.853 176.777 174.700 0.373 0.000 1.036 180 T CA 1.871 64.275 62.100 0.507 0.000 1.148 180 T CB -0.303 68.801 68.868 0.393 0.000 0.863 180 T HN 0.334 nan 8.240 nan 0.000 0.436 181 R N 0.749 121.379 120.500 0.216 0.000 2.081 181 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 181 R C 2.599 178.958 176.300 0.098 0.000 1.131 181 R CA 1.491 57.681 56.100 0.150 0.000 0.960 181 R CB -0.210 30.145 30.300 0.092 0.000 0.856 181 R HN 0.375 nan 8.270 nan 0.000 0.436 182 K N 0.654 121.072 120.400 0.030 0.000 2.057 182 K HA -0.225 4.095 4.320 -0.000 0.000 0.206 182 K C 2.220 178.756 176.600 -0.105 0.000 1.050 182 K CA 1.578 57.832 56.287 -0.054 0.000 0.935 182 K CB 0.066 32.488 32.500 -0.130 0.000 0.715 182 K HN -0.070 nan 8.250 nan 0.000 0.439 183 Q N -0.405 119.306 119.800 -0.150 0.000 2.123 183 Q HA -0.118 4.222 4.340 -0.000 0.000 0.199 183 Q C 0.985 176.722 176.000 -0.439 0.000 0.966 183 Q CA 1.897 57.489 55.803 -0.351 0.000 0.845 183 Q CB -0.161 28.352 28.738 -0.374 0.000 0.907 183 Q HN 0.493 nan 8.270 nan 0.000 0.439 184 W N -1.600 119.687 121.300 -0.021 0.000 2.993 184 W HA 0.425 5.085 4.660 -0.000 0.000 0.290 184 W C 1.288 177.814 176.519 0.011 0.000 1.203 184 W CA 0.256 57.596 57.345 -0.009 0.000 1.582 184 W CB 0.460 29.934 29.460 0.023 0.000 1.033 184 W HN 0.290 nan 8.180 nan 0.000 0.594 185 G N 0.388 109.304 108.800 0.193 0.000 2.184 185 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.264 185 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.264 185 G C -0.276 174.714 174.900 0.150 0.000 0.975 185 G CA 0.385 45.566 45.100 0.135 0.000 0.642 185 G HN 0.058 nan 8.290 nan 0.000 0.536 186 L N 0.141 121.488 121.223 0.207 0.000 2.319 186 L HA 0.722 5.062 4.340 -0.000 0.000 0.267 186 L C 0.123 177.079 176.870 0.144 0.000 1.011 186 L CA -1.327 53.603 54.840 0.150 0.000 0.818 186 L CB 1.577 43.712 42.059 0.127 0.000 1.316 186 L HN 0.229 nan 8.230 nan 0.000 0.432 187 D N 1.060 121.523 120.400 0.106 0.000 2.304 187 D HA 0.297 4.937 4.640 -0.000 0.000 0.247 187 D C -1.740 174.623 176.300 0.105 0.000 1.089 187 D CA -1.344 52.726 54.000 0.117 0.000 0.910 187 D CB 1.603 42.466 40.800 0.106 0.000 1.199 187 D HN 0.263 nan 8.370 nan 0.000 0.426 188 P HA -0.168 nan 4.420 nan 0.000 0.220 188 P C 0.908 178.249 177.300 0.069 0.000 1.144 188 P CA 1.094 64.275 63.100 0.135 0.000 0.800 188 P CB -0.001 31.881 31.700 0.303 0.000 0.772 189 S N -0.858 114.887 115.700 0.075 0.000 2.428 189 S HA -0.086 4.384 4.470 -0.000 0.000 0.230 189 S C 1.544 176.148 174.600 0.007 0.000 1.014 189 S CA 0.761 58.977 58.200 0.027 0.000 0.957 189 S CB -0.866 62.354 63.200 0.033 0.000 0.784 189 S HN 0.263 nan 8.310 nan 0.000 0.499 190 E N 0.512 120.719 120.200 0.013 0.000 2.479 190 E HA 0.333 4.683 4.350 -0.000 0.000 0.193 190 E C -0.356 176.222 176.600 -0.038 0.000 1.049 190 E CA -0.076 56.324 56.400 -0.000 0.000 0.870 190 E CB 0.123 29.837 29.700 0.022 0.000 0.944 190 E HN 0.503 nan 8.360 nan 0.000 0.492 191 L N 0.706 121.886 121.223 -0.071 0.000 2.333 191 L HA 0.310 4.650 4.340 -0.000 0.000 0.269 191 L C -0.172 176.632 176.870 -0.109 0.000 1.010 191 L CA -1.217 53.535 54.840 -0.146 0.000 0.818 191 L CB 1.745 43.633 42.059 -0.286 0.000 1.306 191 L HN -0.127 nan 8.230 nan 0.000 0.430 192 D N 0.909 121.243 120.400 -0.110 0.000 2.443 192 D HA 0.147 4.787 4.640 -0.000 0.000 0.239 192 D C 1.031 177.289 176.300 -0.069 0.000 1.136 192 D CA 0.598 54.557 54.000 -0.068 0.000 0.879 192 D CB 1.641 42.415 40.800 -0.044 0.000 1.195 192 D HN 0.605 nan 8.370 nan 0.000 0.443 193 A N 2.837 125.625 122.820 -0.054 0.000 1.997 193 A HA -0.261 4.059 4.320 -0.000 0.000 0.221 193 A C 2.195 179.749 177.584 -0.050 0.000 1.172 193 A CA 2.457 54.459 52.037 -0.058 0.000 0.645 193 A CB -1.135 17.831 19.000 -0.056 0.000 0.813 193 A HN 0.693 nan 8.150 nan 0.000 0.454 194 S N -0.610 115.072 115.700 -0.031 0.000 2.419 194 S HA -0.122 4.348 4.470 -0.000 0.000 0.233 194 S C 1.722 176.326 174.600 0.006 0.000 1.016 194 S CA 1.379 59.572 58.200 -0.011 0.000 0.974 194 S CB -0.903 62.304 63.200 0.013 0.000 0.786 194 S HN 0.286 nan 8.310 nan 0.000 0.492 195 V N 2.969 122.887 119.914 0.007 0.000 2.214 195 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 195 V C 3.086 179.245 176.094 0.107 0.000 1.047 195 V CA 2.324 64.669 62.300 0.075 0.000 0.998 195 V CB -1.567 30.190 31.823 -0.110 0.000 0.633 195 V HN 0.874 nan 8.190 nan 0.000 0.446 196 T N -1.587 113.003 114.554 0.060 0.000 3.160 196 T HA 0.170 4.520 4.350 -0.000 0.000 0.257 196 T C 1.414 176.100 174.700 -0.022 0.000 1.147 196 T CA 0.850 63.001 62.100 0.085 0.000 1.064 196 T CB -0.043 68.832 68.868 0.012 0.000 0.949 196 T HN 0.433 nan 8.240 nan 0.000 0.526 197 A N 1.470 124.266 122.820 -0.039 0.000 2.208 197 A HA 0.267 4.587 4.320 -0.000 0.000 0.209 197 A C 2.351 179.909 177.584 -0.044 0.000 1.161 197 A CA -0.059 51.938 52.037 -0.067 0.000 0.782 197 A CB -0.409 18.551 19.000 -0.066 0.000 0.816 197 A HN 0.478 nan 8.150 nan 0.000 0.477 198 R N -0.810 119.681 120.500 -0.016 0.000 2.285 198 R HA 0.035 4.375 4.340 -0.000 0.000 0.213 198 R C -0.405 175.864 176.300 -0.052 0.000 1.068 198 R CA 0.595 56.678 56.100 -0.029 0.000 1.004 198 R CB 0.019 30.298 30.300 -0.036 0.000 0.873 198 R HN 0.271 nan 8.270 nan 0.000 0.467 199 V N 3.853 123.753 119.914 -0.023 0.000 2.266 199 V HA 0.202 4.322 4.120 -0.000 0.000 0.271 199 V C -1.930 174.126 176.094 -0.062 0.000 1.032 199 V CA -1.934 60.314 62.300 -0.088 0.000 0.806 199 V CB 1.026 32.863 31.823 0.024 0.000 1.052 199 V HN 0.057 nan 8.190 nan 0.000 0.449 200 P HA 0.153 nan 4.420 nan 0.000 0.270 200 P C -0.148 177.076 177.300 -0.127 0.000 1.227 200 P CA 0.150 63.175 63.100 -0.124 0.000 0.788 200 P CB 0.533 32.155 31.700 -0.131 0.000 0.926 201 T N -0.989 113.476 114.554 -0.149 0.000 2.829 201 T HA 0.656 5.006 4.350 -0.000 0.000 0.280 201 T C -0.025 174.577 174.700 -0.162 0.000 0.999 201 T CA -0.976 61.010 62.100 -0.190 0.000 0.983 201 T CB 1.598 70.284 68.868 -0.305 0.000 0.968 201 T HN 0.322 nan 8.240 nan 0.000 0.446 202 R N 0.861 121.292 120.500 -0.115 0.000 2.803 202 R HA 0.630 4.970 4.340 -0.000 0.000 0.276 202 R C 0.865 177.204 176.300 0.065 0.000 0.978 202 R CA -0.868 55.203 56.100 -0.048 0.000 0.939 202 R CB 1.559 31.820 30.300 -0.066 0.000 1.179 202 R HN 0.881 nan 8.270 nan 0.000 0.472 203 T N -3.118 111.478 114.554 0.070 0.000 3.054 203 T HA 0.036 4.386 4.350 -0.000 0.000 0.255 203 T C 0.574 175.265 174.700 -0.015 0.000 1.035 203 T CA -0.335 61.831 62.100 0.110 0.000 0.941 203 T CB -0.307 68.625 68.868 0.106 0.000 1.026 203 T HN 0.579 nan 8.240 nan 0.000 0.533 204 N N 1.680 120.354 118.700 -0.043 0.000 2.566 204 N HA 0.274 5.014 4.740 -0.000 0.000 0.299 204 N C 0.240 175.705 175.510 -0.075 0.000 1.277 204 N CA -1.149 51.851 53.050 -0.084 0.000 0.965 204 N CB 0.569 39.006 38.487 -0.084 0.000 1.142 204 N HN 0.063 nan 8.380 nan 0.000 0.596 205 R N -1.379 119.071 120.500 -0.083 0.000 2.515 205 R HA 0.164 4.504 4.340 -0.000 0.000 0.294 205 R C -0.664 175.591 176.300 -0.076 0.000 1.021 205 R CA -0.433 55.621 56.100 -0.077 0.000 1.081 205 R CB -0.371 29.884 30.300 -0.076 0.000 1.263 205 R HN 0.538 nan 8.270 nan 0.000 0.557 206 D N 2.275 122.628 120.400 -0.079 0.000 2.358 206 D HA -0.039 4.601 4.640 -0.000 0.000 0.258 206 D C 0.467 176.709 176.300 -0.097 0.000 1.223 206 D CA 0.049 53.999 54.000 -0.084 0.000 0.886 206 D CB 0.700 41.450 40.800 -0.085 0.000 1.120 206 D HN 0.196 nan 8.370 nan 0.000 0.482 207 N N 2.975 121.617 118.700 -0.097 0.000 2.235 207 N HA 0.010 4.750 4.740 -0.000 0.000 0.209 207 N C -0.005 175.430 175.510 -0.125 0.000 1.122 207 N CA -0.324 52.660 53.050 -0.109 0.000 0.845 207 N CB 0.060 38.489 38.487 -0.098 0.000 1.004 207 N HN 0.155 nan 8.380 nan 0.000 0.499 208 R N -0.065 120.360 120.500 -0.125 0.000 2.490 208 R HA 0.090 4.430 4.340 -0.000 0.000 0.280 208 R C 0.303 176.494 176.300 -0.182 0.000 1.077 208 R CA -0.393 55.624 56.100 -0.139 0.000 1.065 208 R CB 0.468 30.706 30.300 -0.105 0.000 1.003 208 R HN 0.089 nan 8.270 nan 0.000 0.470 209 Y N 1.972 122.019 120.300 -0.420 0.000 2.373 209 Y HA 0.056 4.606 4.550 -0.000 0.000 0.293 209 Y C -0.273 175.187 175.900 -0.734 0.000 1.129 209 Y CA 1.104 58.825 58.100 -0.631 0.000 1.226 209 Y CB 0.421 38.376 38.460 -0.841 0.000 1.000 209 Y HN 0.379 nan 8.280 nan 0.000 0.549 210 F N -1.649 118.245 119.950 -0.092 0.000 2.520 210 F HA 0.540 5.067 4.527 -0.000 0.000 0.322 210 F C 0.606 176.328 175.800 -0.130 0.000 1.103 210 F CA -0.737 57.161 58.000 -0.169 0.000 0.926 210 F CB 1.670 40.533 39.000 -0.229 0.000 1.154 210 F HN -0.218 nan 8.300 nan 0.000 0.453 211 A N 0.967 123.829 122.820 0.070 0.000 2.465 211 A HA 0.228 4.548 4.320 -0.000 0.000 0.255 211 A C -0.052 177.522 177.584 -0.017 0.000 1.274 211 A CA -0.305 51.728 52.037 -0.006 0.000 0.920 211 A CB -0.576 18.400 19.000 -0.041 0.000 1.033 211 A HN 0.673 nan 8.150 nan 0.000 0.516 212 D N -0.271 120.142 120.400 0.022 0.000 2.364 212 D HA 0.153 4.793 4.640 -0.000 0.000 0.236 212 D C 1.322 177.541 176.300 -0.136 0.000 1.221 212 D CA 0.647 54.623 54.000 -0.039 0.000 0.891 212 D CB 0.562 41.358 40.800 -0.008 0.000 1.190 212 D HN 0.097 nan 8.370 nan 0.000 0.449 213 T N -0.085 114.325 114.554 -0.241 0.000 2.732 213 T HA -0.104 4.246 4.350 -0.000 0.000 0.261 213 T C 0.292 174.602 174.700 -0.649 0.000 1.040 213 T CA 1.117 62.919 62.100 -0.497 0.000 1.145 213 T CB -0.277 68.144 68.868 -0.744 0.000 0.866 213 T HN 0.318 nan 8.240 nan 0.000 0.427 214 Y N 1.767 121.869 120.300 -0.330 0.000 2.353 214 Y HA 0.513 5.063 4.550 -0.000 0.000 0.340 214 Y C 0.281 175.996 175.900 -0.308 0.000 0.972 214 Y CA -0.854 56.935 58.100 -0.519 0.000 1.157 214 Y CB 0.581 38.456 38.460 -0.976 0.000 1.157 214 Y HN 0.058 nan 8.280 nan 0.000 0.495 215 Q N 3.075 122.824 119.800 -0.086 0.000 2.397 215 Q HA 0.790 5.130 4.340 -0.000 0.000 0.260 215 Q C -1.212 174.870 176.000 0.136 0.000 1.002 215 Q CA -0.689 55.145 55.803 0.051 0.000 0.716 215 Q CB 2.011 30.782 28.738 0.056 0.000 1.258 215 Q HN 0.795 nan 8.270 nan 0.000 0.477 216 A N 2.656 125.620 122.820 0.240 0.000 2.606 216 A HA 0.790 5.110 4.320 -0.000 0.000 0.293 216 A C -1.298 176.621 177.584 0.557 0.000 1.082 216 A CA -0.752 51.495 52.037 0.349 0.000 0.685 216 A CB 1.566 20.716 19.000 0.250 0.000 1.284 216 A HN 0.500 nan 8.150 nan 0.000 0.408 217 M N 1.392 121.325 119.600 0.555 0.000 2.363 217 M HA 0.362 4.842 4.480 -0.000 0.000 0.343 217 M C -2.532 173.983 176.300 0.358 0.000 1.165 217 M CA -2.520 53.041 55.300 0.436 0.000 1.046 217 M CB 0.693 33.430 32.600 0.227 0.000 1.648 217 M HN 0.252 nan 8.290 nan 0.000 0.452 218 P HA -0.034 nan 4.420 nan 0.000 0.258 218 P C 0.952 178.046 177.300 -0.343 0.000 1.187 218 P CA -0.046 62.765 63.100 -0.482 0.000 0.767 218 P CB 0.181 31.505 31.700 -0.626 0.000 0.770 219 L N 4.812 125.815 121.223 -0.367 0.000 2.034 219 L HA -0.226 4.114 4.340 -0.000 0.000 0.217 219 L C 1.380 177.939 176.870 -0.518 0.000 1.077 219 L CA 2.157 56.744 54.840 -0.422 0.000 0.769 219 L CB -0.873 40.849 42.059 -0.563 0.000 0.890 219 L HN 0.506 nan 8.230 nan 0.000 0.435 220 H N -0.748 118.226 119.070 -0.160 0.000 2.469 220 H HA 0.528 5.084 4.556 -0.000 0.000 0.286 220 H C 0.819 176.065 175.328 -0.136 0.000 1.106 220 H CA 0.434 56.416 56.048 -0.111 0.000 1.055 220 H CB -0.443 29.270 29.762 -0.083 0.000 1.618 220 H HN 0.378 nan 8.280 nan 0.000 0.559 221 G N -0.065 108.645 108.800 -0.151 0.000 2.662 221 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.686 221 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.686 221 G C 0.054 174.829 174.900 -0.208 0.000 1.271 221 G CA -0.571 44.415 45.100 -0.191 0.000 0.816 221 G HN 0.273 nan 8.290 nan 0.000 0.608 222 Y N 0.390 120.663 120.300 -0.044 0.000 2.242 222 Y HA -0.077 4.473 4.550 -0.000 0.000 0.291 222 Y C 3.382 179.357 175.900 0.124 0.000 1.137 222 Y CA 2.255 60.382 58.100 0.045 0.000 1.181 222 Y CB -0.382 38.151 38.460 0.121 0.000 0.989 222 Y HN 0.661 nan 8.280 nan 0.000 0.527 223 T N 0.150 114.795 114.554 0.152 0.000 2.684 223 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 223 T C 1.996 176.757 174.700 0.102 0.000 1.036 223 T CA 1.374 63.540 62.100 0.110 0.000 1.148 223 T CB -0.175 68.652 68.868 -0.068 0.000 0.863 223 T HN 0.224 nan 8.240 nan 0.000 0.436 224 R N 0.608 121.125 120.500 0.028 0.000 2.105 224 R HA 0.011 4.351 4.340 -0.000 0.000 0.239 224 R C 2.444 178.723 176.300 -0.035 0.000 1.135 224 R CA 1.039 57.138 56.100 -0.003 0.000 0.967 224 R CB -0.705 29.589 30.300 -0.009 0.000 0.861 224 R HN 0.462 nan 8.270 nan 0.000 0.442 225 M N -0.384 119.171 119.600 -0.074 0.000 2.132 225 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 225 M C 1.616 177.767 176.300 -0.247 0.000 1.065 225 M CA 1.709 56.895 55.300 -0.191 0.000 1.122 225 M CB -0.102 32.318 32.600 -0.300 0.000 1.365 225 M HN -0.021 nan 8.290 nan 0.000 0.411 226 F N 0.669 120.518 119.950 -0.169 0.000 2.234 226 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 226 F C 2.495 178.191 175.800 -0.174 0.000 1.087 226 F CA 1.411 59.281 58.000 -0.217 0.000 1.340 226 F CB -0.325 38.556 39.000 -0.198 0.000 1.031 226 F HN 0.252 nan 8.300 nan 0.000 0.500 227 Q N 0.005 119.837 119.800 0.054 0.000 2.050 227 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 227 Q C 1.979 177.959 176.000 -0.034 0.000 0.980 227 Q CA 1.463 57.272 55.803 0.009 0.000 0.840 227 Q CB -0.251 28.496 28.738 0.014 0.000 0.898 227 Q HN 0.314 nan 8.270 nan 0.000 0.424 228 N N 0.431 119.104 118.700 -0.045 0.000 2.149 228 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 228 N C 1.559 177.035 175.510 -0.055 0.000 1.019 228 N CA 1.230 54.274 53.050 -0.010 0.000 0.857 228 N CB -0.199 38.314 38.487 0.044 0.000 0.997 228 N HN 0.260 nan 8.380 nan 0.000 0.426 229 M N 0.005 119.420 119.600 -0.307 0.000 2.229 229 M HA -0.014 4.466 4.480 -0.000 0.000 0.264 229 M C 0.654 176.759 176.300 -0.324 0.000 1.063 229 M CA 1.185 56.073 55.300 -0.686 0.000 1.114 229 M CB 0.182 32.245 32.600 -0.896 0.000 1.387 229 M HN 0.017 nan 8.290 nan 0.000 0.420 230 L N -0.624 120.500 121.223 -0.165 0.000 2.872 230 L HA 0.150 4.490 4.340 -0.000 0.000 0.245 230 L C 1.781 178.623 176.870 -0.046 0.000 1.211 230 L CA -0.272 54.514 54.840 -0.091 0.000 1.013 230 L CB -0.167 41.857 42.059 -0.059 0.000 1.326 230 L HN 0.259 nan 8.230 nan 0.000 0.525 231 S N -2.324 113.356 115.700 -0.034 0.000 2.496 231 S HA -0.038 4.432 4.470 -0.000 0.000 0.224 231 S C 1.175 175.777 174.600 0.004 0.000 0.996 231 S CA -0.081 58.114 58.200 -0.008 0.000 0.927 231 S CB -0.016 63.185 63.200 0.001 0.000 0.774 231 S HN 0.328 nan 8.310 nan 0.000 0.524 232 S N 3.149 118.853 115.700 0.007 0.000 2.552 232 S HA 0.167 4.637 4.470 -0.000 0.000 0.289 232 S C -1.648 172.967 174.600 0.025 0.000 1.304 232 S CA -1.022 57.190 58.200 0.020 0.000 1.063 232 S CB 0.588 63.802 63.200 0.023 0.000 0.848 232 S HN 0.161 nan 8.310 nan 0.000 0.499 233 P HA 0.002 nan 4.420 nan 0.000 0.225 233 P C 0.604 177.940 177.300 0.059 0.000 1.148 233 P CA 0.620 63.744 63.100 0.040 0.000 0.779 233 P CB 0.035 31.756 31.700 0.035 0.000 0.780 234 N N -0.563 118.174 118.700 0.061 0.000 2.515 234 N HA 0.062 4.802 4.740 -0.000 0.000 0.191 234 N C 0.149 175.719 175.510 0.100 0.000 1.182 234 N CA 0.434 53.536 53.050 0.087 0.000 0.879 234 N CB -0.079 38.456 38.487 0.081 0.000 0.984 234 N HN 0.245 nan 8.380 nan 0.000 0.453 235 I N 1.288 121.899 120.570 0.068 0.000 2.411 235 I HA 0.189 4.359 4.170 -0.000 0.000 0.284 235 I C -0.477 175.661 176.117 0.035 0.000 1.012 235 I CA -0.861 60.463 61.300 0.040 0.000 1.119 235 I CB 1.348 39.345 38.000 -0.005 0.000 1.261 235 I HN -0.406 nan 8.210 nan 0.000 0.448 236 K N 6.081 126.498 120.400 0.029 0.000 2.183 236 K HA 0.538 4.858 4.320 -0.000 0.000 0.274 236 K C -0.673 175.883 176.600 -0.074 0.000 1.009 236 K CA -0.653 55.640 56.287 0.009 0.000 0.888 236 K CB 2.253 34.799 32.500 0.076 0.000 1.078 236 K HN 0.257 nan 8.250 nan 0.000 0.459 237 V N 3.907 123.791 119.914 -0.050 0.000 2.417 237 V HA 0.455 4.575 4.120 -0.000 0.000 0.291 237 V C -0.075 175.978 176.094 -0.068 0.000 1.024 237 V CA -0.786 61.471 62.300 -0.072 0.000 0.861 237 V CB 1.433 33.224 31.823 -0.054 0.000 0.985 237 V HN 0.718 nan 8.190 nan 0.000 0.436 238 M N 6.022 125.567 119.600 -0.093 0.000 2.253 238 M HA 0.646 5.126 4.480 -0.000 0.000 0.314 238 M C -1.595 174.653 176.300 -0.087 0.000 1.019 238 M CA -0.330 54.924 55.300 -0.076 0.000 0.932 238 M CB 1.446 33.996 32.600 -0.084 0.000 1.606 238 M HN 0.557 nan 8.290 nan 0.000 0.430 239 L N 2.927 124.105 121.223 -0.074 0.000 2.286 239 L HA 0.524 4.863 4.340 -0.000 0.000 0.265 239 L C 0.679 177.503 176.870 -0.076 0.000 1.012 239 L CA -0.902 53.881 54.840 -0.094 0.000 0.818 239 L CB 1.434 43.434 42.059 -0.097 0.000 1.337 239 L HN 0.927 nan 8.230 nan 0.000 0.438 240 N N -0.289 118.355 118.700 -0.093 0.000 2.693 240 N HA -0.167 4.573 4.740 -0.000 0.000 0.249 240 N C -0.906 174.573 175.510 -0.051 0.000 1.119 240 N CA 1.100 54.109 53.050 -0.068 0.000 0.717 240 N CB -0.565 37.894 38.487 -0.046 0.000 1.071 240 N HN 0.733 nan 8.380 nan 0.000 0.555 241 T N 0.185 114.704 114.554 -0.059 0.000 2.840 241 T HA 0.150 4.500 4.350 -0.000 0.000 0.287 241 T C -0.935 173.737 174.700 -0.047 0.000 0.991 241 T CA -0.747 61.325 62.100 -0.047 0.000 0.964 241 T CB 1.676 70.517 68.868 -0.044 0.000 0.954 241 T HN 0.098 nan 8.240 nan 0.000 0.438 242 D N 1.851 122.218 120.400 -0.055 0.000 2.351 242 D HA 0.040 4.680 4.640 -0.000 0.000 0.251 242 D C 1.188 177.422 176.300 -0.111 0.000 1.137 242 D CA -0.395 53.563 54.000 -0.069 0.000 0.879 242 D CB 0.785 41.513 40.800 -0.121 0.000 1.181 242 D HN 0.704 nan 8.370 nan 0.000 0.448 243 Y N 3.666 123.927 120.300 -0.066 0.000 2.256 243 Y HA -0.150 4.400 4.550 -0.000 0.000 0.288 243 Y C 1.957 177.792 175.900 -0.108 0.000 1.155 243 Y CA 0.985 59.023 58.100 -0.104 0.000 1.203 243 Y CB -0.338 38.076 38.460 -0.077 0.000 0.980 243 Y HN 0.305 nan 8.280 nan 0.000 0.530 244 R N 0.867 120.824 120.500 -0.906 0.000 2.193 244 R HA -0.118 4.222 4.340 -0.000 0.000 0.229 244 R C 1.717 177.841 176.300 -0.294 0.000 1.110 244 R CA 1.561 57.279 56.100 -0.636 0.000 0.988 244 R CB -0.313 29.592 30.300 -0.659 0.000 0.871 244 R HN 0.625 nan 8.270 nan 0.000 0.458 245 E N 0.372 120.436 120.200 -0.227 0.000 2.427 245 E HA -0.083 4.266 4.350 -0.000 0.000 0.196 245 E C 1.618 178.111 176.600 -0.178 0.000 1.028 245 E CA 0.886 57.218 56.400 -0.112 0.000 0.864 245 E CB 0.202 29.872 29.700 -0.051 0.000 0.813 245 E HN 0.536 nan 8.360 nan 0.000 0.514 246 I N -4.868 115.498 120.570 -0.340 0.000 4.592 246 I HA 0.373 4.543 4.170 -0.000 0.000 0.329 246 I C 1.904 177.660 176.117 -0.602 0.000 1.309 246 I CA -0.115 60.741 61.300 -0.740 0.000 1.243 246 I CB 0.514 38.264 38.000 -0.418 0.000 1.241 246 I HN -0.157 nan 8.210 nan 0.000 0.434 247 A N 1.116 123.793 122.820 -0.239 0.000 2.225 247 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 247 A C 1.574 179.185 177.584 0.046 0.000 1.164 247 A CA 1.701 53.767 52.037 0.048 0.000 0.710 247 A CB -0.606 18.495 19.000 0.168 0.000 0.780 247 A HN 0.467 nan 8.150 nan 0.000 0.473 248 D N -1.227 119.088 120.400 -0.141 0.000 2.305 248 D HA 0.079 4.719 4.640 -0.000 0.000 0.206 248 D C 0.739 177.090 176.300 0.085 0.000 0.974 248 D CA 0.949 54.944 54.000 -0.008 0.000 0.871 248 D CB 0.057 40.898 40.800 0.067 0.000 0.947 248 D HN 0.711 nan 8.370 nan 0.000 0.516 249 F N -1.312 118.697 119.950 0.098 0.000 2.859 249 F HA 0.451 4.978 4.527 -0.000 0.000 0.324 249 F C -0.273 175.602 175.800 0.125 0.000 1.158 249 F CA -0.674 57.377 58.000 0.085 0.000 1.147 249 F CB -0.015 39.020 39.000 0.057 0.000 1.137 249 F HN -0.331 nan 8.300 nan 0.000 0.516 250 I N 3.345 123.959 120.570 0.073 0.000 2.411 250 I HA 0.392 4.562 4.170 -0.000 0.000 0.284 250 I C -2.531 173.803 176.117 0.362 0.000 1.012 250 I CA -2.248 59.192 61.300 0.233 0.000 1.119 250 I CB 1.926 40.024 38.000 0.164 0.000 1.261 250 I HN -0.170 nan 8.210 nan 0.000 0.448 251 P HA 0.144 nan 4.420 nan 0.000 0.266 251 P C -1.127 176.376 177.300 0.338 0.000 1.215 251 P CA 0.304 63.505 63.100 0.168 0.000 0.763 251 P CB -0.014 31.740 31.700 0.090 0.000 0.806 252 F N 0.205 120.214 119.950 0.098 0.000 2.608 252 F HA 0.458 4.985 4.527 -0.000 0.000 0.309 252 F C 0.748 176.561 175.800 0.022 0.000 1.103 252 F CA -0.997 57.063 58.000 0.100 0.000 0.954 252 F CB 0.961 40.024 39.000 0.105 0.000 1.267 252 F HN -0.009 nan 8.300 nan 0.000 0.444 253 Q N 1.083 120.936 119.800 0.087 0.000 1.994 253 Q HA -0.008 4.332 4.340 -0.000 0.000 0.198 253 Q C -0.201 175.813 176.000 0.022 0.000 0.976 253 Q CA 1.686 57.472 55.803 -0.028 0.000 0.828 253 Q CB -0.227 28.472 28.738 -0.064 0.000 0.894 253 Q HN 0.869 nan 8.270 nan 0.000 0.432 254 H N -1.306 117.718 119.070 -0.078 0.000 2.690 254 H HA 0.542 5.098 4.556 -0.000 0.000 0.368 254 H C -1.190 174.247 175.328 0.182 0.000 1.150 254 H CA -0.498 55.529 56.048 -0.034 0.000 1.174 254 H CB 1.483 31.067 29.762 -0.298 0.000 1.684 254 H HN 0.017 nan 8.280 nan 0.000 0.538 255 M N 5.530 125.114 119.600 -0.026 0.000 2.436 255 M HA 0.473 4.953 4.480 -0.000 0.000 0.331 255 M C -1.629 174.678 176.300 0.011 0.000 1.135 255 M CA -0.738 54.570 55.300 0.013 0.000 0.987 255 M CB 1.050 33.622 32.600 -0.048 0.000 1.687 255 M HN 0.608 nan 8.290 nan 0.000 0.445 256 I N 4.777 125.352 120.570 0.009 0.000 2.382 256 I HA 0.250 4.420 4.170 -0.000 0.000 0.285 256 I C -1.647 174.352 176.117 -0.198 0.000 1.007 256 I CA -0.657 60.612 61.300 -0.051 0.000 1.142 256 I CB 1.299 39.316 38.000 0.029 0.000 1.289 256 I HN 0.639 nan 8.210 nan 0.000 0.453 257 Y N 5.864 125.849 120.300 -0.525 0.000 2.328 257 Y HA 0.309 4.859 4.550 -0.000 0.000 0.337 257 Y C 0.998 176.709 175.900 -0.315 0.000 1.008 257 Y CA -0.461 57.289 58.100 -0.583 0.000 1.129 257 Y CB 1.433 39.248 38.460 -1.075 0.000 1.185 257 Y HN 0.597 nan 8.280 nan 0.000 0.476 258 T N 1.422 115.541 114.554 -0.726 0.000 3.252 258 T HA 0.449 4.799 4.350 -0.000 0.000 0.286 258 T C 0.562 174.922 174.700 -0.566 0.000 1.013 258 T CA 0.028 61.862 62.100 -0.442 0.000 0.914 258 T CB -0.360 68.367 68.868 -0.234 0.000 1.131 258 T HN 0.725 nan 8.240 nan 0.000 0.529 259 G N 1.965 110.040 108.800 -1.209 0.000 2.583 259 G HA2 0.661 4.621 3.960 -0.000 0.000 0.280 259 G HA3 0.661 4.621 3.960 -0.000 0.000 0.280 259 G C -2.955 171.873 174.900 -0.119 0.000 1.376 259 G CA -1.997 42.697 45.100 -0.677 0.000 1.043 259 G HN 0.160 nan 8.290 nan 0.000 0.538 260 P HA 0.154 nan 4.420 nan 0.000 0.271 260 P C 1.173 178.765 177.300 0.486 0.000 1.216 260 P CA -0.369 62.854 63.100 0.206 0.000 0.776 260 P CB 1.234 32.960 31.700 0.043 0.000 0.881 261 V N 0.610 120.796 119.914 0.452 0.000 2.453 261 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 261 V C 1.716 177.879 176.094 0.117 0.000 1.048 261 V CA 2.046 64.570 62.300 0.372 0.000 1.049 261 V CB -1.648 30.365 31.823 0.317 0.000 0.672 261 V HN 0.461 nan 8.190 nan 0.000 0.457 262 D N 2.528 122.837 120.400 -0.152 0.000 2.178 262 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 262 D C 1.885 177.879 176.300 -0.510 0.000 0.980 262 D CA 1.861 55.563 54.000 -0.495 0.000 0.842 262 D CB -0.377 40.363 40.800 -0.100 0.000 0.948 262 D HN 0.527 nan 8.370 nan 0.000 0.472 263 A N -0.462 122.133 122.820 -0.374 0.000 1.975 263 A HA 0.087 4.407 4.320 -0.000 0.000 0.215 263 A C 1.924 179.282 177.584 -0.376 0.000 1.170 263 A CA 0.489 52.079 52.037 -0.745 0.000 0.656 263 A CB -1.036 17.934 19.000 -0.049 0.000 0.821 263 A HN 0.252 nan 8.150 nan 0.000 0.449 264 F N -0.903 118.876 119.950 -0.285 0.000 2.365 264 F HA 0.052 4.579 4.527 -0.000 0.000 0.300 264 F C 0.704 176.178 175.800 -0.543 0.000 1.090 264 F CA 0.903 58.612 58.000 -0.485 0.000 1.408 264 F CB 0.029 38.546 39.000 -0.806 0.000 1.060 264 F HN 0.172 nan 8.300 nan 0.000 0.534 265 F N 0.845 120.759 119.950 -0.061 0.000 2.850 265 F HA 0.212 4.739 4.527 -0.000 0.000 0.306 265 F C 0.327 176.076 175.800 -0.085 0.000 1.162 265 F CA -0.604 57.391 58.000 -0.010 0.000 1.327 265 F CB -0.414 38.756 39.000 0.283 0.000 0.953 265 F HN -0.116 nan 8.300 nan 0.000 0.507 266 D N -0.377 119.918 120.400 -0.175 0.000 2.955 266 D HA -0.306 4.334 4.640 -0.000 0.000 0.226 266 D C 0.207 176.577 176.300 0.116 0.000 1.178 266 D CA 1.073 55.006 54.000 -0.111 0.000 0.808 266 D CB -1.860 38.948 40.800 0.013 0.000 1.099 266 D HN 0.448 nan 8.370 nan 0.000 0.421 267 F N -2.932 117.182 119.950 0.274 0.000 3.091 267 F HA -0.366 4.161 4.527 -0.000 0.000 0.288 267 F C 2.354 178.316 175.800 0.269 0.000 0.907 267 F CA 0.468 58.660 58.000 0.320 0.000 1.028 267 F CB -2.808 36.310 39.000 0.198 0.000 1.022 267 F HN 0.405 nan 8.300 nan 0.000 0.665 268 C N -2.520 116.951 119.300 0.285 0.000 2.411 268 C HA -0.199 4.261 4.460 -0.000 0.000 0.279 268 C C 2.083 176.963 174.990 -0.183 0.000 1.288 268 C CA 1.274 60.263 59.018 -0.047 0.000 1.764 268 C CB -1.339 26.231 27.740 -0.285 0.000 1.974 268 C HN 0.571 nan 8.230 nan 0.000 0.498 269 Y N 2.623 122.938 120.300 0.025 0.000 2.493 269 Y HA 0.460 5.010 4.550 -0.000 0.000 0.275 269 Y C 1.598 177.573 175.900 0.124 0.000 1.183 269 Y CA 0.533 58.576 58.100 -0.096 0.000 1.258 269 Y CB -0.625 37.513 38.460 -0.536 0.000 1.108 269 Y HN 0.753 nan 8.280 nan 0.000 0.521 270 G N 0.541 109.567 108.800 0.376 0.000 2.707 270 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.686 270 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.686 270 G C -0.940 174.206 174.900 0.409 0.000 1.315 270 G CA -1.160 44.131 45.100 0.318 0.000 0.832 270 G HN 0.120 nan 8.290 nan 0.000 0.573 271 K N -0.260 120.293 120.400 0.255 0.000 2.451 271 K HA 0.438 4.758 4.320 -0.000 0.000 0.280 271 K C 0.533 177.266 176.600 0.221 0.000 1.020 271 K CA -0.219 56.208 56.287 0.234 0.000 1.008 271 K CB 0.443 32.990 32.500 0.079 0.000 0.917 271 K HN 0.593 nan 8.250 nan 0.000 0.478 272 L N 7.841 129.191 121.223 0.213 0.000 2.260 272 L HA 0.371 4.711 4.340 -0.000 0.000 0.289 272 L C -2.112 174.760 176.870 0.002 0.000 1.057 272 L CA -2.322 52.542 54.840 0.039 0.000 0.811 272 L CB 1.330 43.308 42.059 -0.135 0.000 1.184 272 L HN 0.601 nan 8.230 nan 0.000 0.429 273 P HA 0.063 nan 4.420 nan 0.000 0.261 273 P C -1.581 175.711 177.300 -0.014 0.000 1.203 273 P CA 0.604 63.745 63.100 0.069 0.000 0.767 273 P CB 0.066 31.829 31.700 0.106 0.000 0.785 274 Y N 2.036 122.473 120.300 0.229 0.000 2.446 274 Y HA 0.547 5.097 4.550 -0.000 0.000 0.345 274 Y C 0.851 176.850 175.900 0.164 0.000 0.984 274 Y CA -1.072 57.148 58.100 0.200 0.000 1.058 274 Y CB 2.001 40.551 38.460 0.150 0.000 1.220 274 Y HN 0.132 nan 8.280 nan 0.000 0.455 275 R N 1.420 122.130 120.500 0.350 0.000 2.312 275 R HA 0.542 4.882 4.340 -0.000 0.000 0.311 275 R C -0.485 175.978 176.300 0.271 0.000 1.004 275 R CA -0.188 56.042 56.100 0.216 0.000 0.902 275 R CB 1.357 31.666 30.300 0.014 0.000 1.073 275 R HN 0.670 nan 8.270 nan 0.000 0.457 276 S N 2.977 118.788 115.700 0.185 0.000 2.767 276 S HA 0.752 5.221 4.470 -0.000 0.000 0.300 276 S C -0.992 173.775 174.600 0.278 0.000 1.123 276 S CA -0.690 57.648 58.200 0.230 0.000 0.992 276 S CB 0.574 63.824 63.200 0.082 0.000 1.138 276 S HN 0.458 nan 8.310 nan 0.000 0.550 277 L N 1.057 122.508 121.223 0.380 0.000 2.415 277 L HA 0.618 4.958 4.340 -0.000 0.000 0.256 277 L C -0.800 176.013 176.870 -0.095 0.000 1.010 277 L CA -0.630 54.240 54.840 0.049 0.000 0.826 277 L CB 2.235 44.190 42.059 -0.174 0.000 1.405 277 L HN 0.702 nan 8.230 nan 0.000 0.410 278 E N 0.852 120.891 120.200 -0.267 0.000 2.266 278 E HA 0.575 4.925 4.350 -0.000 0.000 0.268 278 E C -1.918 174.498 176.600 -0.307 0.000 0.879 278 E CA -0.541 55.752 56.400 -0.178 0.000 0.762 278 E CB 1.793 31.485 29.700 -0.013 0.000 1.199 278 E HN 0.329 nan 8.360 nan 0.000 0.422 279 F N 2.344 122.412 119.950 0.197 0.000 2.482 279 F HA 0.512 5.039 4.527 -0.000 0.000 0.331 279 F C 0.166 176.006 175.800 0.067 0.000 1.115 279 F CA -0.904 57.154 58.000 0.098 0.000 0.955 279 F CB 1.765 40.764 39.000 -0.000 0.000 1.136 279 F HN 0.221 nan 8.300 nan 0.000 0.452 280 R N 2.848 123.489 120.500 0.236 0.000 2.320 280 R HA 0.319 4.659 4.340 -0.000 0.000 0.319 280 R C -0.998 175.369 176.300 0.111 0.000 0.969 280 R CA -0.727 55.488 56.100 0.192 0.000 0.857 280 R CB 0.897 31.342 30.300 0.242 0.000 1.160 280 R HN 0.648 nan 8.270 nan 0.000 0.491 281 H N 2.261 121.453 119.070 0.203 0.000 2.502 281 H HA 0.272 4.827 4.556 -0.000 0.000 0.327 281 H C -0.166 175.221 175.328 0.098 0.000 1.099 281 H CA 0.027 56.167 56.048 0.153 0.000 1.323 281 H CB 1.726 31.551 29.762 0.104 0.000 1.450 281 H HN 0.502 nan 8.280 nan 0.000 0.502 282 E N 0.986 121.294 120.200 0.181 0.000 2.369 282 E HA 0.372 4.722 4.350 -0.000 0.000 0.270 282 E C -0.821 175.736 176.600 -0.072 0.000 0.909 282 E CA -0.877 55.534 56.400 0.018 0.000 0.775 282 E CB 2.376 32.072 29.700 -0.007 0.000 1.270 282 E HN 0.398 nan 8.360 nan 0.000 0.445 283 T N 1.173 115.598 114.554 -0.215 0.000 2.848 283 T HA 0.419 4.769 4.350 -0.000 0.000 0.285 283 T C -1.266 173.234 174.700 -0.333 0.000 0.995 283 T CA -0.701 61.286 62.100 -0.189 0.000 0.970 283 T CB 0.652 69.456 68.868 -0.108 0.000 0.976 283 T HN 0.337 nan 8.240 nan 0.000 0.441 284 H N 0.678 119.750 119.070 0.003 0.000 2.569 284 H HA 0.367 4.923 4.556 -0.000 0.000 0.357 284 H C -0.355 174.977 175.328 0.005 0.000 1.153 284 H CA -0.738 55.318 56.048 0.014 0.000 1.193 284 H CB 1.230 31.005 29.762 0.022 0.000 1.602 284 H HN 0.468 nan 8.280 nan 0.000 0.523 285 D N 1.483 121.971 120.400 0.147 0.000 2.934 285 D HA 0.103 4.743 4.640 -0.000 0.000 0.237 285 D C -0.657 175.708 176.300 0.108 0.000 1.158 285 D CA 0.275 54.338 54.000 0.106 0.000 0.971 285 D CB -0.141 40.721 40.800 0.103 0.000 1.123 285 D HN 0.447 nan 8.370 nan 0.000 0.467 286 T N -0.836 113.776 114.554 0.097 0.000 2.885 286 T HA 0.136 4.486 4.350 -0.000 0.000 0.322 286 T C 0.688 175.426 174.700 0.063 0.000 1.387 286 T CA -0.575 61.572 62.100 0.078 0.000 1.041 286 T CB 1.373 70.277 68.868 0.060 0.000 1.287 286 T HN 0.042 nan 8.240 nan 0.000 0.491 287 E N 0.787 121.021 120.200 0.056 0.000 2.150 287 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 287 E C 0.564 177.173 176.600 0.016 0.000 0.985 287 E CA 0.733 57.159 56.400 0.043 0.000 0.814 287 E CB 0.281 30.005 29.700 0.040 0.000 0.752 287 E HN 0.517 nan 8.360 nan 0.000 0.466 288 Q N -0.131 119.681 119.800 0.020 0.000 2.295 288 Q HA 0.169 4.509 4.340 -0.000 0.000 0.268 288 Q C -0.695 175.321 176.000 0.027 0.000 1.010 288 Q CA -0.258 55.558 55.803 0.021 0.000 0.856 288 Q CB 1.580 30.326 28.738 0.014 0.000 1.349 288 Q HN 0.054 nan 8.270 nan 0.000 0.412 289 L N 3.434 124.677 121.223 0.033 0.000 2.467 289 L HA 0.464 4.804 4.340 -0.000 0.000 0.213 289 L C -0.633 176.235 176.870 -0.003 0.000 1.053 289 L CA 0.792 55.620 54.840 -0.020 0.000 0.847 289 L CB 0.801 42.816 42.059 -0.074 0.000 1.075 289 L HN 0.642 nan 8.230 nan 0.000 0.479 290 L N -0.382 120.868 121.223 0.045 0.000 2.330 290 L HA 0.388 4.728 4.340 -0.000 0.000 0.271 290 L C -1.630 175.251 176.870 0.018 0.000 1.013 290 L CA -1.728 53.102 54.840 -0.018 0.000 0.816 290 L CB 1.244 43.223 42.059 -0.134 0.000 1.287 290 L HN -0.214 nan 8.230 nan 0.000 0.435 291 P HA -0.027 nan 4.420 nan 0.000 0.218 291 P C 0.198 177.433 177.300 -0.109 0.000 1.152 291 P CA 0.836 63.918 63.100 -0.031 0.000 0.826 291 P CB 0.197 31.865 31.700 -0.054 0.000 0.790 292 T N -5.746 108.618 114.554 -0.318 0.000 2.773 292 T HA 0.566 4.916 4.350 -0.000 0.000 0.278 292 T C 1.480 175.679 174.700 -0.834 0.000 1.011 292 T CA -0.210 61.601 62.100 -0.481 0.000 1.014 292 T CB 0.889 69.575 68.868 -0.303 0.000 1.293 292 T HN -0.047 nan 8.240 nan 0.000 0.554 293 G N 0.106 108.583 108.800 -0.539 0.000 2.418 293 G HA2 0.219 4.179 3.960 -0.000 0.000 0.217 293 G HA3 0.219 4.179 3.960 -0.000 0.000 0.217 293 G C 0.338 175.136 174.900 -0.170 0.000 1.158 293 G CA 0.826 45.788 45.100 -0.231 0.000 0.771 293 G HN 0.870 nan 8.290 nan 0.000 0.545 294 T N -0.663 113.761 114.554 -0.216 0.000 2.916 294 T HA 0.514 4.864 4.350 -0.000 0.000 0.298 294 T C -1.202 173.354 174.700 -0.240 0.000 1.031 294 T CA -0.453 61.538 62.100 -0.182 0.000 0.993 294 T CB 2.830 71.667 68.868 -0.051 0.000 1.045 294 T HN -0.057 nan 8.240 nan 0.000 0.454 295 V N 3.933 123.724 119.914 -0.205 0.000 2.448 295 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 295 V C -0.326 175.628 176.094 -0.234 0.000 1.025 295 V CA -1.011 61.141 62.300 -0.246 0.000 0.859 295 V CB 1.752 33.419 31.823 -0.261 0.000 0.988 295 V HN 0.741 nan 8.190 nan 0.000 0.431 296 N N 2.706 121.266 118.700 -0.234 0.000 2.509 296 N HA 0.483 5.222 4.740 -0.000 0.000 0.287 296 N C -1.144 174.215 175.510 -0.252 0.000 1.121 296 N CA -0.227 52.792 53.050 -0.051 0.000 0.977 296 N CB 1.061 39.599 38.487 0.086 0.000 1.167 296 N HN 0.578 nan 8.380 nan 0.000 0.476 297 Y N 0.886 121.286 120.300 0.167 0.000 2.749 297 Y HA 0.308 4.858 4.550 -0.000 0.000 0.343 297 Y C -1.576 174.358 175.900 0.056 0.000 1.015 297 Y CA -1.551 56.612 58.100 0.105 0.000 1.270 297 Y CB 1.704 40.239 38.460 0.126 0.000 1.097 297 Y HN 0.524 nan 8.280 nan 0.000 0.571 298 P HA -0.070 nan 4.420 nan 0.000 0.219 298 P C 0.396 177.721 177.300 0.042 0.000 1.150 298 P CA 1.463 64.654 63.100 0.151 0.000 0.814 298 P CB 0.501 32.237 31.700 0.061 0.000 0.787 299 N N -1.417 117.294 118.700 0.018 0.000 2.170 299 N HA 0.119 4.859 4.740 -0.000 0.000 0.222 299 N C -0.418 175.059 175.510 -0.056 0.000 1.218 299 N CA 0.213 53.244 53.050 -0.031 0.000 0.889 299 N CB 0.845 39.293 38.487 -0.064 0.000 1.083 299 N HN 0.135 nan 8.380 nan 0.000 0.520 300 D N -0.174 120.206 120.400 -0.032 0.000 2.596 300 D HA 0.365 5.005 4.640 -0.000 0.000 0.234 300 D C -0.412 175.750 176.300 -0.230 0.000 1.181 300 D CA -0.156 53.736 54.000 -0.180 0.000 0.856 300 D CB 1.938 42.627 40.800 -0.185 0.000 1.498 300 D HN -0.197 nan 8.370 nan 0.000 0.446 301 Y N -0.570 119.522 120.300 -0.346 0.000 2.501 301 Y HA -0.233 4.317 4.550 -0.000 0.000 0.028 301 Y C 0.970 176.557 175.900 -0.521 0.000 1.696 301 Y CA 0.198 57.934 58.100 -0.606 0.000 1.423 301 Y CB -0.976 36.731 38.460 -1.254 0.000 2.068 301 Y HN 0.499 nan 8.280 nan 0.000 0.253 302 A N -0.017 122.596 122.820 -0.346 0.000 2.147 302 A HA 0.246 4.566 4.320 -0.000 0.000 0.211 302 A C -0.039 177.439 177.584 -0.176 0.000 1.160 302 A CA 1.031 52.987 52.037 -0.135 0.000 0.781 302 A CB -0.369 18.691 19.000 0.100 0.000 0.842 302 A HN 0.656 nan 8.150 nan 0.000 0.475 303 Y N -2.077 118.081 120.300 -0.237 0.000 2.419 303 Y HA 0.548 5.098 4.550 -0.000 0.000 0.328 303 Y C 1.315 177.062 175.900 -0.255 0.000 1.162 303 Y CA -0.639 57.169 58.100 -0.487 0.000 1.174 303 Y CB 0.020 38.000 38.460 -0.799 0.000 1.228 303 Y HN 0.033 nan 8.280 nan 0.000 0.473 304 T N -0.680 113.822 114.554 -0.086 0.000 2.857 304 T HA 0.073 4.423 4.350 -0.000 0.000 0.266 304 T C 0.310 175.089 174.700 0.132 0.000 1.048 304 T CA 1.071 63.057 62.100 -0.189 0.000 1.139 304 T CB -0.279 68.346 68.868 -0.406 0.000 0.874 304 T HN 0.860 nan 8.240 nan 0.000 0.455 305 R N -0.647 119.976 120.500 0.205 0.000 2.728 305 R HA 0.618 4.958 4.340 -0.000 0.000 0.274 305 R C -2.336 173.949 176.300 -0.026 0.000 1.032 305 R CA -1.047 55.182 56.100 0.215 0.000 0.866 305 R CB 1.225 31.603 30.300 0.129 0.000 1.263 305 R HN 0.021 nan 8.270 nan 0.000 0.475 306 V N 0.617 120.464 119.914 -0.113 0.000 2.628 306 V HA 0.654 4.774 4.120 -0.000 0.000 0.306 306 V C -0.369 175.512 176.094 -0.355 0.000 1.045 306 V CA -0.817 61.195 62.300 -0.479 0.000 0.905 306 V CB 1.917 33.384 31.823 -0.593 0.000 0.997 306 V HN 0.822 nan 8.190 nan 0.000 0.436 307 S N 2.083 117.512 115.700 -0.453 0.000 2.538 307 S HA 0.500 4.970 4.470 -0.000 0.000 0.288 307 S C -0.761 173.501 174.600 -0.564 0.000 1.108 307 S CA -0.645 57.298 58.200 -0.427 0.000 0.971 307 S CB 1.851 64.808 63.200 -0.405 0.000 1.041 307 S HN 0.858 nan 8.310 nan 0.000 0.483 308 E N 1.917 121.887 120.200 -0.383 0.000 2.133 308 E HA 0.364 4.714 4.350 -0.000 0.000 0.274 308 E C -0.373 176.117 176.600 -0.182 0.000 0.930 308 E CA -0.437 55.817 56.400 -0.243 0.000 0.770 308 E CB 0.539 30.266 29.700 0.045 0.000 1.104 308 E HN 0.615 nan 8.360 nan 0.000 0.403 309 F N 3.192 123.112 119.950 -0.051 0.000 2.206 309 F HA -0.032 4.495 4.527 -0.000 0.000 0.298 309 F C 2.030 177.752 175.800 -0.129 0.000 1.090 309 F CA 0.539 58.451 58.000 -0.145 0.000 1.323 309 F CB 0.121 38.968 39.000 -0.254 0.000 1.028 309 F HN 0.443 nan 8.300 nan 0.000 0.492 310 K N -0.384 120.050 120.400 0.056 0.000 2.211 310 K HA -0.201 4.119 4.320 -0.000 0.000 0.204 310 K C 1.775 178.308 176.600 -0.113 0.000 1.047 310 K CA 1.222 57.479 56.287 -0.050 0.000 0.935 310 K CB -0.339 32.109 32.500 -0.087 0.000 0.728 310 K HN 0.408 nan 8.250 nan 0.000 0.452 311 H N 0.238 119.268 119.070 -0.067 0.000 2.353 311 H HA -0.074 4.482 4.556 -0.000 0.000 0.300 311 H C 2.142 177.267 175.328 -0.337 0.000 1.090 311 H CA 1.458 57.453 56.048 -0.088 0.000 1.327 311 H CB 0.022 29.786 29.762 0.003 0.000 1.383 311 H HN 0.191 nan 8.280 nan 0.000 0.508 312 I N 0.483 120.936 120.570 -0.194 0.000 2.277 312 I HA -0.167 4.003 4.170 -0.000 0.000 0.243 312 I C 2.757 178.668 176.117 -0.345 0.000 1.094 312 I CA 1.512 62.528 61.300 -0.473 0.000 1.393 312 I CB -0.298 37.692 38.000 -0.017 0.000 1.078 312 I HN 0.254 nan 8.210 nan 0.000 0.417 313 T N -1.762 112.703 114.554 -0.147 0.000 2.942 313 T HA 0.125 4.475 4.350 -0.000 0.000 0.265 313 T C 1.736 176.377 174.700 -0.100 0.000 1.062 313 T CA 0.832 62.871 62.100 -0.103 0.000 1.139 313 T CB 0.027 68.833 68.868 -0.102 0.000 0.883 313 T HN 0.543 nan 8.240 nan 0.000 0.468 314 G N 1.025 109.759 108.800 -0.109 0.000 2.157 314 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.248 314 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.248 314 G C -0.088 174.790 174.900 -0.036 0.000 0.979 314 G CA 0.309 45.368 45.100 -0.067 0.000 0.650 314 G HN 0.961 nan 8.290 nan 0.000 0.529 315 Q N 0.141 119.922 119.800 -0.032 0.000 2.432 315 Q HA 0.354 4.694 4.340 -0.000 0.000 0.264 315 Q C 0.557 176.574 176.000 0.029 0.000 1.035 315 Q CA -0.131 55.679 55.803 0.013 0.000 0.908 315 Q CB 0.359 29.109 28.738 0.020 0.000 1.280 315 Q HN 0.512 nan 8.270 nan 0.000 0.455 316 R N 2.971 123.508 120.500 0.062 0.000 2.338 316 R HA 0.301 4.641 4.340 -0.000 0.000 0.317 316 R C -1.467 174.910 176.300 0.128 0.000 0.968 316 R CA -0.401 55.740 56.100 0.068 0.000 0.849 316 R CB 0.906 31.230 30.300 0.041 0.000 1.128 316 R HN 0.744 nan 8.270 nan 0.000 0.448 317 H N 2.899 121.981 119.070 0.019 0.000 3.046 317 H HA 0.084 4.640 4.556 -0.000 0.000 0.361 317 H C 0.021 175.367 175.328 0.030 0.000 1.235 317 H CA -0.433 55.631 56.048 0.027 0.000 1.146 317 H CB 1.459 31.207 29.762 -0.023 0.000 1.859 317 H HN 0.915 nan 8.280 nan 0.000 0.548 318 H N 1.319 120.410 119.070 0.035 0.000 2.548 318 H HA 0.202 4.758 4.556 -0.000 0.000 0.268 318 H C -0.425 175.013 175.328 0.184 0.000 0.975 318 H CA 0.035 56.128 56.048 0.076 0.000 1.195 318 H CB 1.171 30.928 29.762 -0.009 0.000 1.397 318 H HN 0.439 nan 8.280 nan 0.000 0.572 319 Q N 0.268 120.038 119.800 -0.051 0.000 2.814 319 Q HA 0.498 4.837 4.340 -0.000 0.000 0.283 319 Q C -0.827 175.143 176.000 -0.049 0.000 1.071 319 Q CA -0.985 54.773 55.803 -0.075 0.000 0.849 319 Q CB 2.489 31.103 28.738 -0.206 0.000 1.437 319 Q HN 0.141 nan 8.270 nan 0.000 0.492 320 T N -0.345 114.173 114.554 -0.061 0.000 2.932 320 T HA 0.473 4.823 4.350 -0.000 0.000 0.318 320 T C -1.605 173.088 174.700 -0.013 0.000 1.265 320 T CA -0.411 61.661 62.100 -0.046 0.000 1.036 320 T CB 1.628 70.507 68.868 0.020 0.000 1.209 320 T HN 0.446 nan 8.240 nan 0.000 0.484 321 S N 1.779 117.480 115.700 0.002 0.000 2.500 321 S HA 0.816 5.285 4.470 -0.000 0.000 0.301 321 S C -0.276 174.385 174.600 0.101 0.000 1.092 321 S CA -0.667 57.575 58.200 0.071 0.000 1.030 321 S CB 1.444 64.689 63.200 0.074 0.000 1.031 321 S HN 0.924 nan 8.310 nan 0.000 0.483 322 V N 0.187 120.140 119.914 0.064 0.000 3.158 322 V HA 0.978 5.098 4.120 -0.000 0.000 0.311 322 V C -0.838 175.180 176.094 -0.126 0.000 1.181 322 V CA -0.838 61.373 62.300 -0.149 0.000 1.054 322 V CB 1.788 33.497 31.823 -0.189 0.000 1.085 322 V HN 0.638 nan 8.190 nan 0.000 0.446 323 V N 1.520 121.206 119.914 -0.380 0.000 2.668 323 V HA 0.621 4.741 4.120 -0.000 0.000 0.304 323 V C -1.768 174.068 176.094 -0.430 0.000 1.071 323 V CA -0.355 61.771 62.300 -0.289 0.000 0.894 323 V CB 1.852 33.564 31.823 -0.186 0.000 1.008 323 V HN 0.871 nan 8.190 nan 0.000 0.425 324 Y N 4.147 124.319 120.300 -0.213 0.000 2.326 324 Y HA 0.557 5.107 4.550 -0.000 0.000 0.337 324 Y C 0.665 176.420 175.900 -0.242 0.000 1.023 324 Y CA -0.327 57.548 58.100 -0.375 0.000 1.143 324 Y CB 1.337 39.439 38.460 -0.596 0.000 1.183 324 Y HN 0.575 nan 8.280 nan 0.000 0.485 325 E N 2.980 123.080 120.200 -0.168 0.000 2.197 325 E HA 0.295 4.645 4.350 -0.000 0.000 0.281 325 E C -1.616 174.797 176.600 -0.312 0.000 0.995 325 E CA -0.751 55.562 56.400 -0.145 0.000 0.808 325 E CB 1.142 30.821 29.700 -0.035 0.000 1.093 325 E HN 0.516 nan 8.360 nan 0.000 0.394 326 Y N 2.406 122.642 120.300 -0.106 0.000 2.338 326 Y HA 0.264 4.814 4.550 -0.000 0.000 0.328 326 Y C -2.250 173.578 175.900 -0.119 0.000 0.965 326 Y CA -2.870 55.190 58.100 -0.067 0.000 1.208 326 Y CB 1.386 39.823 38.460 -0.038 0.000 1.132 326 Y HN 0.386 nan 8.280 nan 0.000 0.469 327 P HA 0.118 nan 4.420 nan 0.000 0.264 327 P C -0.308 176.989 177.300 -0.005 0.000 1.193 327 P CA 0.082 63.137 63.100 -0.075 0.000 0.763 327 P CB 0.683 32.292 31.700 -0.151 0.000 0.810 328 R N 2.189 122.693 120.500 0.006 0.000 2.854 328 R HA 0.648 4.988 4.340 -0.000 0.000 0.271 328 R C 0.736 177.061 176.300 0.042 0.000 0.994 328 R CA -0.903 55.217 56.100 0.033 0.000 0.945 328 R CB 1.821 32.150 30.300 0.049 0.000 1.194 328 R HN 0.359 nan 8.270 nan 0.000 0.476 329 A N 0.953 123.801 122.820 0.046 0.000 1.920 329 A HA 0.105 4.425 4.320 -0.000 0.000 0.209 329 A C 0.163 177.785 177.584 0.064 0.000 1.229 329 A CA 0.743 52.815 52.037 0.060 0.000 0.671 329 A CB 0.091 19.122 19.000 0.052 0.000 0.886 329 A HN 0.523 nan 8.150 nan 0.000 0.461 330 E N -1.006 119.223 120.200 0.048 0.000 2.231 330 E HA 0.557 4.907 4.350 -0.000 0.000 0.277 330 E C 0.250 176.874 176.600 0.040 0.000 0.999 330 E CA 0.906 57.331 56.400 0.042 0.000 0.827 330 E CB 1.398 31.115 29.700 0.030 0.000 1.101 330 E HN 0.758 nan 8.360 nan 0.000 0.393 331 G N 2.294 111.110 108.800 0.027 0.000 2.325 331 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.285 331 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.285 331 G C -1.425 173.434 174.900 -0.068 0.000 1.303 331 G CA -1.065 44.042 45.100 0.011 0.000 0.970 331 G HN 0.463 nan 8.290 nan 0.000 0.490 332 D N 2.015 122.326 120.400 -0.149 0.000 2.493 332 D HA 0.411 5.051 4.640 -0.000 0.000 0.240 332 D C -2.049 173.844 176.300 -0.678 0.000 1.142 332 D CA -0.123 53.649 54.000 -0.380 0.000 0.872 332 D CB 0.837 41.389 40.800 -0.413 0.000 1.173 332 D HN 0.147 nan 8.370 nan 0.000 0.467 333 P HA 0.048 nan 4.420 nan 0.000 0.265 333 P C -0.379 176.620 177.300 -0.501 0.000 1.222 333 P CA 0.400 63.232 63.100 -0.447 0.000 0.767 333 P CB 0.152 31.464 31.700 -0.646 0.000 0.801 334 Y N 1.149 121.459 120.300 0.017 0.000 2.701 334 Y HA 0.217 4.767 4.550 -0.000 0.000 0.275 334 Y C 0.348 176.104 175.900 -0.240 0.000 1.133 334 Y CA -0.184 57.851 58.100 -0.108 0.000 1.241 334 Y CB 0.314 38.733 38.460 -0.068 0.000 1.389 334 Y HN 0.179 nan 8.280 nan 0.000 0.486 335 Y N 1.584 121.990 120.300 0.177 0.000 2.341 335 Y HA 0.426 4.976 4.550 -0.000 0.000 0.338 335 Y C -2.610 173.372 175.900 0.136 0.000 0.965 335 Y CA -3.528 54.595 58.100 0.039 0.000 1.108 335 Y CB 0.864 39.249 38.460 -0.125 0.000 1.180 335 Y HN -0.180 nan 8.280 nan 0.000 0.458 336 P HA 0.078 nan 4.420 nan 0.000 0.272 336 P C -0.744 176.476 177.300 -0.132 0.000 1.223 336 P CA -0.231 62.604 63.100 -0.441 0.000 0.784 336 P CB 0.823 31.892 31.700 -1.052 0.000 0.923 337 V N 4.235 124.106 119.914 -0.072 0.000 2.240 337 V HA 0.206 4.326 4.120 -0.000 0.000 0.265 337 V C -2.144 173.936 176.094 -0.023 0.000 1.073 337 V CA -1.813 60.536 62.300 0.080 0.000 0.857 337 V CB 0.523 32.462 31.823 0.194 0.000 1.114 337 V HN 0.487 nan 8.190 nan 0.000 0.469 338 P HA 0.164 nan 4.420 nan 0.000 0.263 338 P C -0.156 177.100 177.300 -0.073 0.000 1.276 338 P CA 0.363 63.420 63.100 -0.071 0.000 0.986 338 P CB -0.039 31.616 31.700 -0.076 0.000 1.105 339 R N 2.862 123.362 120.500 0.001 0.000 2.663 339 R HA 0.467 4.807 4.340 -0.000 0.000 0.267 339 R C -2.700 173.615 176.300 0.024 0.000 1.038 339 R CA -1.975 54.121 56.100 -0.007 0.000 0.886 339 R CB 0.205 30.496 30.300 -0.015 0.000 1.249 339 R HN -0.115 nan 8.270 nan 0.000 0.463 340 P HA -0.327 nan 4.420 nan 0.000 0.216 340 P C 0.811 178.122 177.300 0.020 0.000 1.167 340 P CA 2.251 65.360 63.100 0.014 0.000 0.914 340 P CB 0.043 31.746 31.700 0.004 0.000 0.793 341 E N -1.350 118.861 120.200 0.018 0.000 2.150 341 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 341 E C 1.504 178.117 176.600 0.022 0.000 0.985 341 E CA 1.075 57.485 56.400 0.016 0.000 0.814 341 E CB -0.878 28.833 29.700 0.018 0.000 0.752 341 E HN 0.193 nan 8.360 nan 0.000 0.466 342 N N 1.494 120.220 118.700 0.042 0.000 2.216 342 N HA -0.012 4.728 4.740 -0.000 0.000 0.183 342 N C 1.810 177.346 175.510 0.042 0.000 1.017 342 N CA 1.468 54.547 53.050 0.048 0.000 0.861 342 N CB -0.326 38.232 38.487 0.119 0.000 0.986 342 N HN 0.342 nan 8.380 nan 0.000 0.428 343 A N 0.856 123.731 122.820 0.091 0.000 1.972 343 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 343 A C 2.147 179.772 177.584 0.068 0.000 1.169 343 A CA 1.350 53.461 52.037 0.124 0.000 0.635 343 A CB -0.441 18.624 19.000 0.108 0.000 0.810 343 A HN 0.328 nan 8.150 nan 0.000 0.446 344 E N -0.472 119.737 120.200 0.014 0.000 2.047 344 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 344 E C 1.968 178.518 176.600 -0.084 0.000 0.987 344 E CA 0.786 57.164 56.400 -0.037 0.000 0.799 344 E CB -0.162 29.517 29.700 -0.035 0.000 0.752 344 E HN 0.586 nan 8.360 nan 0.000 0.449 345 L N 0.319 121.510 121.223 -0.054 0.000 2.046 345 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 345 L C 2.443 179.286 176.870 -0.044 0.000 1.077 345 L CA 1.537 56.340 54.840 -0.061 0.000 0.747 345 L CB -0.358 41.713 42.059 0.021 0.000 0.896 345 L HN 0.332 nan 8.230 nan 0.000 0.432 346 Y N 1.061 121.255 120.300 -0.176 0.000 2.165 346 Y HA -0.300 4.250 4.550 -0.000 0.000 0.286 346 Y C 2.524 178.350 175.900 -0.122 0.000 1.155 346 Y CA 1.770 59.758 58.100 -0.188 0.000 1.164 346 Y CB -0.312 37.928 38.460 -0.366 0.000 0.978 346 Y HN 0.062 nan 8.280 nan 0.000 0.513 347 K N 0.341 120.521 120.400 -0.367 0.000 2.074 347 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 347 K C 2.103 178.411 176.600 -0.487 0.000 1.048 347 K CA 1.999 58.020 56.287 -0.444 0.000 0.926 347 K CB -0.128 32.230 32.500 -0.236 0.000 0.713 347 K HN 0.361 nan 8.250 nan 0.000 0.444 348 K N -0.022 120.056 120.400 -0.537 0.000 1.987 348 K HA -0.201 4.118 4.320 -0.000 0.000 0.216 348 K C 2.168 178.323 176.600 -0.743 0.000 1.051 348 K CA 1.994 57.789 56.287 -0.821 0.000 0.942 348 K CB -0.456 31.173 32.500 -1.451 0.000 0.722 348 K HN 0.197 nan 8.250 nan 0.000 0.444 349 Y N 1.374 121.339 120.300 -0.558 0.000 2.193 349 Y HA -0.249 4.301 4.550 -0.000 0.000 0.285 349 Y C 2.598 178.153 175.900 -0.574 0.000 1.166 349 Y CA 1.456 59.288 58.100 -0.445 0.000 1.181 349 Y CB -0.147 38.205 38.460 -0.180 0.000 0.976 349 Y HN 0.289 nan 8.280 nan 0.000 0.520 350 E N 0.186 120.047 120.200 -0.565 0.000 2.077 350 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 350 E C 2.359 178.749 176.600 -0.351 0.000 0.989 350 E CA 0.918 56.971 56.400 -0.579 0.000 0.800 350 E CB -0.181 29.015 29.700 -0.840 0.000 0.746 350 E HN 0.441 nan 8.360 nan 0.000 0.452 351 A N 1.332 123.952 122.820 -0.334 0.000 1.883 351 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 351 A C 2.227 179.701 177.584 -0.184 0.000 1.186 351 A CA 1.339 53.244 52.037 -0.220 0.000 0.624 351 A CB -0.795 18.076 19.000 -0.216 0.000 0.822 351 A HN 0.313 nan 8.150 nan 0.000 0.444 352 L N -0.889 120.158 121.223 -0.294 0.000 1.989 352 L HA -0.261 4.079 4.340 -0.000 0.000 0.211 352 L C 3.177 180.006 176.870 -0.068 0.000 1.071 352 L CA 1.334 55.983 54.840 -0.318 0.000 0.749 352 L CB -0.794 40.716 42.059 -0.915 0.000 0.890 352 L HN 0.482 nan 8.230 nan 0.000 0.431 353 A N -0.095 122.627 122.820 -0.163 0.000 1.892 353 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 353 A C 1.920 179.595 177.584 0.152 0.000 1.188 353 A CA 2.241 54.252 52.037 -0.043 0.000 0.631 353 A CB -0.661 17.874 19.000 -0.775 0.000 0.822 353 A HN 0.389 nan 8.150 nan 0.000 0.447 354 D N -0.348 120.072 120.400 0.033 0.000 2.218 354 D HA -0.001 4.639 4.640 -0.000 0.000 0.204 354 D C 2.111 178.479 176.300 0.113 0.000 0.976 354 D CA 1.262 55.312 54.000 0.082 0.000 0.853 354 D CB -0.229 40.580 40.800 0.015 0.000 0.939 354 D HN 0.461 nan 8.370 nan 0.000 0.481 355 A N 1.018 123.903 122.820 0.109 0.000 1.874 355 A HA 0.223 4.543 4.320 -0.000 0.000 0.214 355 A C 1.462 179.153 177.584 0.178 0.000 1.189 355 A CA 0.816 52.924 52.037 0.119 0.000 0.615 355 A CB -0.657 18.398 19.000 0.091 0.000 0.830 355 A HN 0.195 nan 8.150 nan 0.000 0.443 356 A N 0.460 123.447 122.820 0.278 0.000 2.583 356 A HA 0.135 4.455 4.320 -0.000 0.000 0.249 356 A C 1.167 178.875 177.584 0.206 0.000 1.035 356 A CA 0.223 52.440 52.037 0.300 0.000 0.777 356 A CB 0.076 19.360 19.000 0.473 0.000 0.942 356 A HN 0.528 nan 8.150 nan 0.000 0.516 357 Q N 1.487 121.372 119.800 0.141 0.000 1.994 357 Q HA -0.093 4.247 4.340 -0.000 0.000 0.198 357 Q C 0.185 176.240 176.000 0.091 0.000 0.976 357 Q CA 1.583 57.453 55.803 0.112 0.000 0.828 357 Q CB -0.028 28.758 28.738 0.081 0.000 0.894 357 Q HN 0.866 nan 8.270 nan 0.000 0.432 358 D N 0.267 120.655 120.400 -0.019 0.000 2.491 358 D HA 0.141 4.781 4.640 -0.000 0.000 0.228 358 D C -0.512 175.375 176.300 -0.688 0.000 1.183 358 D CA 0.057 53.892 54.000 -0.276 0.000 0.827 358 D CB 1.008 41.712 40.800 -0.160 0.000 0.989 358 D HN -0.092 nan 8.370 nan 0.000 0.494 359 V N 1.041 120.765 119.914 -0.318 0.000 2.409 359 V HA 0.193 4.313 4.120 -0.000 0.000 0.290 359 V C 0.142 176.162 176.094 -0.124 0.000 1.017 359 V CA -0.524 61.587 62.300 -0.316 0.000 0.841 359 V CB 1.987 33.651 31.823 -0.264 0.000 1.003 359 V HN -0.083 nan 8.190 nan 0.000 0.426 360 T N 5.981 120.531 114.554 -0.006 0.000 2.744 360 T HA 0.592 4.942 4.350 -0.000 0.000 0.291 360 T C -0.438 174.219 174.700 -0.072 0.000 0.957 360 T CA 0.062 62.252 62.100 0.149 0.000 1.002 360 T CB 0.220 69.273 68.868 0.308 0.000 0.919 360 T HN 0.272 nan 8.240 nan 0.000 0.468 361 F N 2.686 122.692 119.950 0.093 0.000 2.404 361 F HA 0.681 5.207 4.527 -0.000 0.000 0.339 361 F C 0.392 176.258 175.800 0.111 0.000 1.105 361 F CA -0.622 57.431 58.000 0.088 0.000 1.087 361 F CB 1.346 40.418 39.000 0.121 0.000 1.143 361 F HN 0.232 nan 8.300 nan 0.000 0.491 362 V N 2.023 122.077 119.914 0.232 0.000 3.098 362 V HA 0.846 4.966 4.120 -0.000 0.000 0.294 362 V C -0.584 175.594 176.094 0.138 0.000 1.351 362 V CA 0.273 62.683 62.300 0.184 0.000 0.999 362 V CB 1.502 33.407 31.823 0.137 0.000 1.104 362 V HN 1.267 nan 8.190 nan 0.000 0.438 363 G N 4.589 113.494 108.800 0.174 0.000 2.440 363 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.684 363 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.684 363 G C 0.103 175.100 174.900 0.162 0.000 1.309 363 G CA 0.274 45.471 45.100 0.161 0.000 0.931 363 G HN 1.403 nan 8.290 nan 0.000 0.612 364 R N -0.372 120.224 120.500 0.160 0.000 2.091 364 R HA -0.022 4.318 4.340 -0.000 0.000 0.238 364 R C 2.172 178.510 176.300 0.063 0.000 1.136 364 R CA 2.161 58.325 56.100 0.106 0.000 0.959 364 R CB -0.326 30.050 30.300 0.128 0.000 0.856 364 R HN 0.548 nan 8.270 nan 0.000 0.437 365 L N -0.206 121.055 121.223 0.062 0.000 2.102 365 L HA 0.041 4.381 4.340 -0.000 0.000 0.202 365 L C 2.775 179.767 176.870 0.204 0.000 1.076 365 L CA 0.994 55.880 54.840 0.077 0.000 0.761 365 L CB -0.604 41.398 42.059 -0.095 0.000 0.921 365 L HN 0.299 nan 8.230 nan 0.000 0.444 366 A N 0.187 123.109 122.820 0.170 0.000 1.933 366 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 366 A C 2.183 179.976 177.584 0.349 0.000 1.175 366 A CA 2.200 54.436 52.037 0.332 0.000 0.628 366 A CB -0.784 18.410 19.000 0.324 0.000 0.814 366 A HN 0.510 nan 8.150 nan 0.000 0.444 367 T N -6.962 107.732 114.554 0.232 0.000 3.105 367 T HA 0.173 4.523 4.350 -0.000 0.000 0.253 367 T C 0.382 175.025 174.700 -0.096 0.000 1.047 367 T CA 0.278 62.487 62.100 0.183 0.000 0.944 367 T CB -0.471 68.505 68.868 0.181 0.000 1.016 367 T HN 0.687 nan 8.240 nan 0.000 0.544 368 Y N 2.090 122.240 120.300 -0.250 0.000 3.168 368 Y HA -0.266 4.284 4.550 -0.000 0.000 0.207 368 Y C -0.248 175.443 175.900 -0.349 0.000 1.280 368 Y CA 0.023 57.893 58.100 -0.384 0.000 1.235 368 Y CB -1.783 36.090 38.460 -0.977 0.000 1.370 368 Y HN 0.454 nan 8.280 nan 0.000 0.537 369 R N 0.964 121.270 120.500 -0.322 0.000 2.534 369 R HA 0.276 4.616 4.340 -0.000 0.000 0.301 369 R C -0.875 175.259 176.300 -0.277 0.000 0.961 369 R CA -1.171 54.664 56.100 -0.442 0.000 0.871 369 R CB 1.027 30.792 30.300 -0.892 0.000 1.170 369 R HN 0.144 nan 8.270 nan 0.000 0.446 370 Y N 4.165 124.318 120.300 -0.246 0.000 2.576 370 Y HA 0.046 4.596 4.550 -0.000 0.000 0.348 370 Y C -1.076 174.898 175.900 0.124 0.000 1.212 370 Y CA -0.265 57.830 58.100 -0.008 0.000 1.683 370 Y CB -0.301 38.210 38.460 0.085 0.000 1.484 370 Y HN 0.358 nan 8.280 nan 0.000 0.477 371 Y N 3.113 123.592 120.300 0.297 0.000 2.377 371 Y HA 0.319 4.869 4.550 -0.000 0.000 0.339 371 Y C 0.502 176.466 175.900 0.106 0.000 1.011 371 Y CA -1.851 56.330 58.100 0.135 0.000 1.093 371 Y CB 1.026 39.536 38.460 0.083 0.000 1.201 371 Y HN 0.412 nan 8.280 nan 0.000 0.455 372 N N 2.493 121.285 118.700 0.153 0.000 2.381 372 N HA 0.169 4.909 4.740 -0.000 0.000 0.254 372 N C 1.329 176.778 175.510 -0.101 0.000 1.264 372 N CA -0.133 52.919 53.050 0.004 0.000 0.942 372 N CB 0.628 39.038 38.487 -0.129 0.000 1.190 372 N HN 0.689 nan 8.380 nan 0.000 0.495 373 M N 0.339 119.842 119.600 -0.162 0.000 2.082 373 M HA -0.216 4.264 4.480 -0.000 0.000 0.258 373 M C 1.394 177.484 176.300 -0.350 0.000 1.069 373 M CA 1.623 56.742 55.300 -0.302 0.000 1.102 373 M CB -0.381 32.066 32.600 -0.256 0.000 1.336 373 M HN 0.557 nan 8.290 nan 0.000 0.404 374 D N -0.183 120.002 120.400 -0.359 0.000 2.178 374 D HA -0.203 4.437 4.640 -0.000 0.000 0.202 374 D C 1.661 177.806 176.300 -0.258 0.000 0.974 374 D CA 1.427 55.264 54.000 -0.271 0.000 0.841 374 D CB -0.657 39.853 40.800 -0.483 0.000 0.953 374 D HN 0.493 nan 8.370 nan 0.000 0.478 375 Q N 0.238 119.825 119.800 -0.355 0.000 2.079 375 Q HA -0.033 4.307 4.340 -0.000 0.000 0.200 375 Q C 2.613 178.330 176.000 -0.472 0.000 0.974 375 Q CA 0.989 56.474 55.803 -0.531 0.000 0.840 375 Q CB 0.092 28.313 28.738 -0.862 0.000 0.898 375 Q HN 0.186 nan 8.270 nan 0.000 0.430 376 V N 0.282 120.054 119.914 -0.236 0.000 2.343 376 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 376 V C 2.189 178.290 176.094 0.013 0.000 1.051 376 V CA 1.324 63.624 62.300 -0.001 0.000 1.036 376 V CB -0.354 31.545 31.823 0.126 0.000 0.654 376 V HN 0.186 nan 8.190 nan 0.000 0.451 377 V N 0.322 120.219 119.914 -0.028 0.000 2.407 377 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 377 V C 2.671 178.752 176.094 -0.022 0.000 1.055 377 V CA 1.926 64.249 62.300 0.039 0.000 1.049 377 V CB -1.046 30.828 31.823 0.086 0.000 0.662 377 V HN 0.558 nan 8.190 nan 0.000 0.455 378 A N -0.973 121.803 122.820 -0.073 0.000 1.930 378 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 378 A C 2.250 179.803 177.584 -0.052 0.000 1.175 378 A CA 1.907 53.896 52.037 -0.081 0.000 0.627 378 A CB -0.490 18.439 19.000 -0.120 0.000 0.815 378 A HN 0.569 nan 8.150 nan 0.000 0.443 379 Q N -0.694 119.078 119.800 -0.046 0.000 2.119 379 Q HA -0.105 4.235 4.340 -0.000 0.000 0.201 379 Q C 2.169 178.206 176.000 0.062 0.000 0.972 379 Q CA 1.321 57.147 55.803 0.039 0.000 0.847 379 Q CB -0.265 28.546 28.738 0.122 0.000 0.903 379 Q HN 0.630 nan 8.270 nan 0.000 0.433 380 A N 0.421 123.270 122.820 0.048 0.000 1.968 380 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 380 A C 1.978 179.576 177.584 0.024 0.000 1.169 380 A CA 0.697 52.763 52.037 0.047 0.000 0.638 380 A CB -0.445 18.584 19.000 0.048 0.000 0.812 380 A HN 0.395 nan 8.150 nan 0.000 0.446 381 L N -0.825 120.380 121.223 -0.030 0.000 2.027 381 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 381 L C 3.132 180.039 176.870 0.063 0.000 1.074 381 L CA 1.083 55.901 54.840 -0.037 0.000 0.745 381 L CB -0.631 41.346 42.059 -0.137 0.000 0.898 381 L HN 0.438 nan 8.230 nan 0.000 0.433 382 A N -0.341 122.503 122.820 0.039 0.000 1.883 382 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 382 A C 2.348 179.971 177.584 0.065 0.000 1.186 382 A CA 2.434 54.499 52.037 0.047 0.000 0.624 382 A CB -1.009 18.017 19.000 0.043 0.000 0.822 382 A HN 0.371 nan 8.150 nan 0.000 0.444 383 T N -0.830 113.775 114.554 0.086 0.000 2.759 383 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 383 T C 1.559 176.319 174.700 0.101 0.000 1.042 383 T CA 1.678 63.834 62.100 0.094 0.000 1.140 383 T CB -0.381 68.550 68.868 0.105 0.000 0.864 383 T HN 0.486 nan 8.240 nan 0.000 0.455 384 F N 2.277 122.203 119.950 -0.040 0.000 2.060 384 F HA -0.021 4.505 4.527 -0.000 0.000 0.295 384 F C 2.357 178.136 175.800 -0.036 0.000 1.120 384 F CA 1.189 59.154 58.000 -0.058 0.000 1.205 384 F CB -0.358 38.595 39.000 -0.079 0.000 0.986 384 F HN -0.080 nan 8.300 nan 0.000 0.470 385 R N 0.016 120.436 120.500 -0.133 0.000 2.185 385 R HA -0.184 4.156 4.340 -0.000 0.000 0.247 385 R C 2.324 178.508 176.300 -0.194 0.000 1.159 385 R CA 1.631 57.600 56.100 -0.219 0.000 0.988 385 R CB -0.396 29.870 30.300 -0.058 0.000 0.871 385 R HN 0.376 nan 8.270 nan 0.000 0.458 386 R N -0.047 120.384 120.500 -0.115 0.000 2.062 386 R HA -0.015 4.325 4.340 -0.000 0.000 0.226 386 R C 1.969 178.210 176.300 -0.099 0.000 1.125 386 R CA 0.689 56.746 56.100 -0.072 0.000 0.966 386 R CB -0.271 30.023 30.300 -0.009 0.000 0.861 386 R HN 0.052 nan 8.270 nan 0.000 0.433 387 L N 1.452 122.605 121.223 -0.117 0.000 2.447 387 L HA -0.160 4.180 4.340 -0.000 0.000 0.225 387 L C 1.939 178.722 176.870 -0.145 0.000 1.148 387 L CA 1.593 56.372 54.840 -0.102 0.000 0.808 387 L CB -0.288 41.739 42.059 -0.053 0.000 0.928 387 L HN 0.185 nan 8.230 nan 0.000 0.448 388 Q N -1.123 118.524 119.800 -0.256 0.000 2.378 388 Q HA 0.304 4.644 4.340 -0.000 0.000 0.216 388 Q C 1.111 177.029 176.000 -0.136 0.000 0.892 388 Q CA 0.628 56.292 55.803 -0.231 0.000 0.931 388 Q CB 0.706 29.204 28.738 -0.400 0.000 1.086 388 Q HN 0.409 nan 8.270 nan 0.000 0.528 389 G N 0.000 108.730 108.800 -0.116 0.000 5.446 389 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 389 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 389 G CA 0.000 45.059 45.100 -0.068 0.000 0.502 389 G HN 0.000 nan 8.290 nan 0.000 0.925