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 1ga2_1_B DATA FIRST_RESID 2 DATA SEQUENCE GTYNYGEALQ KSIMFYEFQR SGDLPADKRD NWRDDSGMKD GSDVGVDLTG DATA SEQUENCE GWYDAGDHVK FNLPMSYTSA MLAWSLYEDK DAYDKSGQTK YIMDGIKWAN DATA SEQUENCE DYFIKCNPTP GVYYYQVGDG GKDHSWWGPA EVMQMERPSF KVDASKPGSA DATA SEQUENCE VCASTAASLA SAAVVFKSSD PTYAEKCISH AKNLFDMADK AKSDAGYTAA DATA SEQUENCE SGYYSSSSFY DDLSWAAVWL YLATNDSTYL DKAESYVPNW GKEQQTDIIA DATA SEQUENCE YKWGQCWDDV HYGAELLLAK LTNKQLYKDS IEMNLDFWTT GVNGTRVSYT DATA SEQUENCE PKGLAWLFQW GSLRHATTQA FLAGVYAEWE GCTPSKVSVY KDFLKSQIDY DATA SEQUENCE ALGSTGRSFV VGYGVNPPQH PHHRTAHGSW TDQMTSPTYH RHTIYGALVG DATA SEQUENCE GPDNADGYTD EINNYVNNEI ACDYNAGFTG ALAKMYKHSG GDPIPNFKAI DATA SEQUENCE EKITNDEVII KAGLNSTGPN YTEIKAVVYN QTGWPARVTD KISFKYFMDL DATA SEQUENCE SEIVAAGIDP LSLVTSSNYS EGKNTKVSGV LPWDVSNNVY YVNVDLTGEN DATA SEQUENCE IYPGGQSACR REVQFRIAAP QGTTYWNPKN DFSYDGLPTT STVNTVTNIP DATA SEQUENCE VYDNGVKVFG NEP 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 4.017 3.960 0.095 0.000 0.244 2 G C 0.000 174.576 174.900 -0.540 0.000 0.946 2 G CA 0.000 44.941 45.100 -0.266 0.000 0.502 3 T N -1.776 112.381 114.554 -0.661 0.000 2.885 3 T HA 0.776 5.183 4.350 0.095 0.000 0.285 3 T C -1.337 172.791 174.700 -0.953 0.000 1.019 3 T CA -0.559 61.161 62.100 -0.634 0.000 1.010 3 T CB 1.529 70.232 68.868 -0.275 0.000 1.022 3 T HN 0.531 nan 8.240 nan 0.000 0.466 4 Y N 1.530 121.697 120.300 -0.222 0.000 2.446 4 Y HA 0.476 5.084 4.550 0.097 0.000 0.345 4 Y C 0.567 176.120 175.900 -0.578 0.000 0.984 4 Y CA -1.353 56.543 58.100 -0.340 0.000 1.058 4 Y CB 1.630 39.909 38.460 -0.302 0.000 1.220 4 Y HN 0.614 nan 8.280 nan 0.000 0.455 5 N N 2.222 120.862 118.700 -0.100 0.000 2.448 5 N HA 0.008 4.805 4.740 0.095 0.000 0.250 5 N C -0.105 175.400 175.510 -0.008 0.000 1.136 5 N CA 0.237 53.260 53.050 -0.046 0.000 0.953 5 N CB 0.094 38.617 38.487 0.060 0.000 1.251 5 N HN 0.628 nan 8.380 nan 0.000 0.502 6 Y N 1.550 121.974 120.300 0.207 0.000 2.373 6 Y HA 0.067 4.673 4.550 0.093 0.000 0.293 6 Y C 2.266 178.202 175.900 0.060 0.000 1.129 6 Y CA 1.035 59.209 58.100 0.123 0.000 1.226 6 Y CB -0.347 38.195 38.460 0.137 0.000 1.000 6 Y HN 0.551 nan 8.280 nan 0.000 0.549 7 G N -0.308 108.650 108.800 0.264 0.000 2.402 7 G HA2 -0.251 3.766 3.960 0.095 0.000 0.216 7 G HA3 -0.251 3.766 3.960 0.095 0.000 0.216 7 G C 1.583 176.427 174.900 -0.093 0.000 1.162 7 G CA 0.864 45.939 45.100 -0.041 0.000 0.777 7 G HN 0.443 nan 8.290 nan 0.000 0.539 8 E N 0.470 120.676 120.200 0.009 0.000 2.072 8 E HA -0.027 4.380 4.350 0.095 0.000 0.191 8 E C 2.757 179.334 176.600 -0.038 0.000 0.985 8 E CA 0.891 57.285 56.400 -0.010 0.000 0.801 8 E CB -0.196 29.566 29.700 0.104 0.000 0.750 8 E HN 0.324 nan 8.360 nan 0.000 0.452 9 A N 1.152 123.917 122.820 -0.092 0.000 1.902 9 A HA -0.168 4.209 4.320 0.095 0.000 0.217 9 A C 2.132 179.538 177.584 -0.296 0.000 1.181 9 A CA 1.274 53.059 52.037 -0.421 0.000 0.623 9 A CB -0.643 18.001 19.000 -0.593 0.000 0.818 9 A HN 0.381 nan 8.150 nan 0.000 0.443 10 L N 0.450 121.531 121.223 -0.237 0.000 2.017 10 L HA -0.237 4.160 4.340 0.095 0.000 0.208 10 L C 2.769 179.556 176.870 -0.139 0.000 1.073 10 L CA 2.801 57.504 54.840 -0.229 0.000 0.745 10 L CB -0.767 41.131 42.059 -0.269 0.000 0.894 10 L HN 0.692 nan 8.230 nan 0.000 0.432 11 Q N -0.721 118.992 119.800 -0.146 0.000 2.124 11 Q HA -0.250 4.147 4.340 0.095 0.000 0.202 11 Q C 2.017 177.972 176.000 -0.076 0.000 0.977 11 Q CA 1.821 57.556 55.803 -0.113 0.000 0.850 11 Q CB -0.354 28.289 28.738 -0.158 0.000 0.901 11 Q HN 0.524 nan 8.270 nan 0.000 0.429 12 K N 0.451 120.804 120.400 -0.079 0.000 2.103 12 K HA -0.035 4.342 4.320 0.095 0.000 0.204 12 K C 2.352 179.031 176.600 0.132 0.000 1.052 12 K CA 1.094 57.412 56.287 0.052 0.000 0.945 12 K CB -0.064 32.481 32.500 0.075 0.000 0.722 12 K HN 0.144 nan 8.250 nan 0.000 0.443 13 S N 0.980 116.706 115.700 0.043 0.000 2.382 13 S HA -0.082 4.445 4.470 0.095 0.000 0.228 13 S C 1.896 176.607 174.600 0.185 0.000 1.027 13 S CA 0.792 59.044 58.200 0.088 0.000 0.991 13 S CB -0.075 63.078 63.200 -0.078 0.000 0.823 13 S HN 0.131 nan 8.310 nan 0.000 0.469 14 I N 1.290 121.958 120.570 0.163 0.000 2.252 14 I HA -0.131 4.096 4.170 0.095 0.000 0.245 14 I C 2.465 178.682 176.117 0.166 0.000 1.102 14 I CA 1.328 62.772 61.300 0.241 0.000 1.385 14 I CB -1.017 37.090 38.000 0.179 0.000 1.064 14 I HN 0.473 nan 8.210 nan 0.000 0.414 15 M N 0.264 119.899 119.600 0.059 0.000 2.213 15 M HA -0.272 4.265 4.480 0.095 0.000 0.263 15 M C 2.345 178.547 176.300 -0.164 0.000 1.062 15 M CA 1.664 56.908 55.300 -0.093 0.000 1.105 15 M CB -0.293 32.304 32.600 -0.005 0.000 1.385 15 M HN 0.147 nan 8.290 nan 0.000 0.417 16 F N 0.782 120.704 119.950 -0.046 0.000 2.115 16 F HA -0.299 4.440 4.527 0.353 0.000 0.300 16 F C 1.362 177.011 175.800 -0.252 0.000 1.092 16 F CA 1.829 59.823 58.000 -0.010 0.000 1.245 16 F CB -1.018 37.859 39.000 -0.204 0.000 0.995 16 F HN 0.189 nan 8.300 nan 0.000 0.481 17 Y N 0.924 120.924 120.300 -0.501 0.000 2.274 17 Y HA -0.149 4.442 4.550 0.068 0.000 0.290 17 Y C 2.433 177.978 175.900 -0.592 0.000 1.145 17 Y CA 1.680 59.264 58.100 -0.860 0.000 1.203 17 Y CB -0.976 36.992 38.460 -0.819 0.000 0.984 17 Y HN 0.244 nan 8.280 nan 0.000 0.533 18 E N -0.688 119.281 120.200 -0.386 0.000 2.153 18 E HA -0.173 4.234 4.350 0.095 0.000 0.194 18 E C 1.551 177.822 176.600 -0.549 0.000 0.988 18 E CA 1.116 57.219 56.400 -0.496 0.000 0.811 18 E CB -0.397 28.944 29.700 -0.599 0.000 0.746 18 E HN 0.514 nan 8.360 nan 0.000 0.466 19 F N 0.618 120.372 119.950 -0.328 0.000 2.558 19 F HA -0.047 4.503 4.527 0.038 0.000 0.298 19 F C 2.278 177.950 175.800 -0.213 0.000 1.119 19 F CA 0.162 57.948 58.000 -0.357 0.000 1.451 19 F CB 0.297 39.156 39.000 -0.235 0.000 1.091 19 F HN -0.091 nan 8.300 nan 0.000 0.563 20 Q N 0.422 120.136 119.800 -0.144 0.000 2.392 20 Q HA 0.103 4.500 4.340 0.095 0.000 0.203 20 Q C 0.373 176.427 176.000 0.091 0.000 0.917 20 Q CA 0.158 55.960 55.803 -0.001 0.000 0.939 20 Q CB -0.007 28.559 28.738 -0.287 0.000 1.063 20 Q HN 0.365 nan 8.270 nan 0.000 0.516 21 R N 0.782 121.262 120.500 -0.034 0.000 2.585 21 R HA 0.135 4.532 4.340 0.095 0.000 0.275 21 R C 0.281 176.474 176.300 -0.178 0.000 1.018 21 R CA 0.271 56.285 56.100 -0.144 0.000 1.072 21 R CB 0.446 30.359 30.300 -0.645 0.000 0.953 21 R HN -0.087 nan 8.270 nan 0.000 0.419 22 S N 0.906 116.462 115.700 -0.240 0.000 2.621 22 S HA 0.775 5.302 4.470 0.095 0.000 0.302 22 S C 0.059 174.673 174.600 0.024 0.000 1.093 22 S CA 0.374 58.343 58.200 -0.386 0.000 1.017 22 S CB 1.600 64.246 63.200 -0.925 0.000 1.077 22 S HN 0.910 nan 8.310 nan 0.000 0.517 23 G N 2.363 111.178 108.800 0.026 0.000 2.500 23 G HA2 -0.105 3.912 3.960 0.095 0.000 0.209 23 G HA3 -0.105 3.912 3.960 0.095 0.000 0.209 23 G C -1.057 173.912 174.900 0.114 0.000 1.283 23 G CA -0.170 44.963 45.100 0.056 0.000 0.960 23 G HN 0.821 nan 8.290 nan 0.000 0.528 24 D N 1.266 121.725 120.400 0.098 0.000 2.402 24 D HA 0.414 5.111 4.640 0.095 0.000 0.235 24 D C 1.195 177.624 176.300 0.215 0.000 1.226 24 D CA -0.146 53.910 54.000 0.094 0.000 0.918 24 D CB -0.365 40.449 40.800 0.023 0.000 1.043 24 D HN 0.553 nan 8.370 nan 0.000 0.506 25 L N 5.119 126.427 121.223 0.143 0.000 2.456 25 L HA 0.259 4.656 4.340 0.095 0.000 0.272 25 L C -1.376 175.535 176.870 0.070 0.000 1.189 25 L CA -1.541 53.348 54.840 0.082 0.000 0.846 25 L CB 0.195 42.217 42.059 -0.062 0.000 1.111 25 L HN 0.301 nan 8.230 nan 0.000 0.475 26 P HA 0.008 nan 4.420 nan 0.000 0.269 26 P C 0.131 177.436 177.300 0.009 0.000 1.215 26 P CA -0.269 62.862 63.100 0.053 0.000 0.780 26 P CB 0.972 32.710 31.700 0.063 0.000 0.898 27 A N 2.409 125.238 122.820 0.015 0.000 2.019 27 A HA -0.177 4.200 4.320 0.095 0.000 0.219 27 A C 1.442 179.027 177.584 0.002 0.000 1.164 27 A CA 1.786 53.828 52.037 0.008 0.000 0.644 27 A CB -1.097 17.909 19.000 0.010 0.000 0.805 27 A HN 0.658 nan 8.150 nan 0.000 0.449 28 D N 0.591 120.991 120.400 0.001 0.000 2.336 28 D HA -0.031 4.666 4.640 0.095 0.000 0.229 28 D C 0.517 176.810 176.300 -0.012 0.000 1.061 28 D CA 0.039 54.040 54.000 0.001 0.000 0.875 28 D CB -0.714 40.090 40.800 0.008 0.000 0.904 28 D HN 0.600 nan 8.370 nan 0.000 0.525 29 K N 1.068 121.443 120.400 -0.040 0.000 2.527 29 K HA -0.019 4.358 4.320 0.095 0.000 0.278 29 K C 0.382 176.945 176.600 -0.062 0.000 0.981 29 K CA -0.216 56.020 56.287 -0.084 0.000 1.009 29 K CB 0.432 32.859 32.500 -0.121 0.000 0.895 29 K HN 0.137 nan 8.250 nan 0.000 0.493 30 R N 0.714 121.161 120.500 -0.089 0.000 2.694 30 R HA 0.145 4.542 4.340 0.095 0.000 0.334 30 R C -1.248 175.018 176.300 -0.057 0.000 1.143 30 R CA -0.515 55.542 56.100 -0.071 0.000 1.073 30 R CB -0.378 29.871 30.300 -0.085 0.000 1.366 30 R HN 0.829 nan 8.270 nan 0.000 0.577 31 D N -0.377 119.998 120.400 -0.041 0.000 2.570 31 D HA 0.106 4.803 4.640 0.095 0.000 0.244 31 D C -0.226 176.111 176.300 0.061 0.000 1.178 31 D CA -1.060 52.967 54.000 0.044 0.000 0.881 31 D CB 0.930 41.694 40.800 -0.059 0.000 1.453 31 D HN 0.018 nan 8.370 nan 0.000 0.447 32 N N 0.553 119.391 118.700 0.232 0.000 2.291 32 N HA 0.086 4.883 4.740 0.095 0.000 0.244 32 N C -0.264 175.478 175.510 0.386 0.000 1.216 32 N CA -0.726 52.486 53.050 0.271 0.000 0.879 32 N CB -0.229 38.446 38.487 0.313 0.000 1.167 32 N HN 0.821 nan 8.380 nan 0.000 0.515 33 W N -0.795 120.524 121.300 0.033 0.000 2.534 33 W HA 0.498 5.211 4.660 0.088 0.000 0.339 33 W C -0.600 175.794 176.519 -0.207 0.000 0.961 33 W CA -0.398 56.809 57.345 -0.231 0.000 1.545 33 W CB 0.175 29.135 29.460 -0.833 0.000 1.104 33 W HN -0.189 nan 8.180 nan 0.000 0.538 34 R N 1.955 122.289 120.500 -0.277 0.000 2.589 34 R HA 0.480 4.877 4.340 0.095 0.000 0.293 34 R C -0.908 175.332 176.300 -0.100 0.000 0.963 34 R CA -0.203 55.764 56.100 -0.222 0.000 0.905 34 R CB 2.139 32.214 30.300 -0.375 0.000 1.144 34 R HN -0.085 nan 8.270 nan 0.000 0.459 35 D N -0.354 120.025 120.400 -0.035 0.000 2.798 35 D HA 0.187 4.884 4.640 0.095 0.000 0.308 35 D C -1.094 175.209 176.300 0.006 0.000 1.187 35 D CA -0.509 53.485 54.000 -0.010 0.000 1.033 35 D CB 1.447 42.258 40.800 0.019 0.000 1.445 35 D HN 0.216 nan 8.370 nan 0.000 0.550 36 D N 0.339 120.747 120.400 0.014 0.000 2.571 36 D HA 0.266 4.963 4.640 0.095 0.000 0.231 36 D C -0.037 176.277 176.300 0.023 0.000 1.133 36 D CA 0.899 54.913 54.000 0.022 0.000 0.862 36 D CB 0.297 41.105 40.800 0.013 0.000 1.179 36 D HN 0.333 nan 8.370 nan 0.000 0.474 37 S N -0.833 114.892 115.700 0.042 0.000 2.565 37 S HA 0.579 5.106 4.470 0.095 0.000 0.269 37 S C 0.551 175.192 174.600 0.068 0.000 1.153 37 S CA -0.397 57.832 58.200 0.050 0.000 0.835 37 S CB 1.624 64.886 63.200 0.104 0.000 1.122 37 S HN 0.847 nan 8.310 nan 0.000 0.462 38 G N 1.232 110.059 108.800 0.046 0.000 2.283 38 G HA2 -0.239 3.778 3.960 0.095 0.000 0.280 38 G HA3 -0.239 3.778 3.960 0.095 0.000 0.280 38 G C 0.694 175.581 174.900 -0.022 0.000 1.029 38 G CA 0.579 45.698 45.100 0.032 0.000 0.840 38 G HN 0.720 nan 8.290 nan 0.000 0.505 39 M N -1.024 118.555 119.600 -0.035 0.000 2.557 39 M HA 0.062 4.599 4.480 0.095 0.000 0.259 39 M C 1.976 178.236 176.300 -0.066 0.000 1.086 39 M CA 1.252 56.523 55.300 -0.047 0.000 1.096 39 M CB -0.419 32.156 32.600 -0.042 0.000 1.424 39 M HN 0.395 nan 8.290 nan 0.000 0.488 40 K N -0.050 120.305 120.400 -0.075 0.000 2.440 40 K HA 0.101 4.478 4.320 0.095 0.000 0.206 40 K C -0.529 176.011 176.600 -0.100 0.000 1.025 40 K CA -0.260 55.975 56.287 -0.088 0.000 1.135 40 K CB 0.490 32.935 32.500 -0.093 0.000 0.856 40 K HN 0.102 nan 8.250 nan 0.000 0.502 41 D N 1.206 121.551 120.400 -0.091 0.000 2.472 41 D HA 0.045 4.742 4.640 0.095 0.000 0.248 41 D C 1.273 177.490 176.300 -0.138 0.000 1.174 41 D CA 1.337 55.277 54.000 -0.100 0.000 0.883 41 D CB 0.887 41.645 40.800 -0.071 0.000 1.149 41 D HN 0.434 nan 8.370 nan 0.000 0.488 42 G N 1.859 110.548 108.800 -0.185 0.000 2.213 42 G HA2 -0.362 3.655 3.960 0.095 0.000 0.236 42 G HA3 -0.362 3.655 3.960 0.095 0.000 0.236 42 G C 1.390 176.155 174.900 -0.226 0.000 0.991 42 G CA 0.757 45.697 45.100 -0.267 0.000 0.629 42 G HN 0.607 nan 8.290 nan 0.000 0.517 43 S N 1.511 117.110 115.700 -0.167 0.000 2.400 43 S HA -0.175 4.352 4.470 0.095 0.000 0.232 43 S C 1.906 176.424 174.600 -0.136 0.000 1.025 43 S CA 1.962 60.080 58.200 -0.137 0.000 0.993 43 S CB -0.436 62.696 63.200 -0.112 0.000 0.808 43 S HN 0.840 nan 8.310 nan 0.000 0.478 44 D N 1.997 122.305 120.400 -0.154 0.000 2.310 44 D HA -0.092 4.605 4.640 0.095 0.000 0.212 44 D C 1.662 177.879 176.300 -0.138 0.000 0.965 44 D CA 1.320 55.234 54.000 -0.144 0.000 0.879 44 D CB -0.404 40.295 40.800 -0.168 0.000 0.921 44 D HN 0.672 nan 8.370 nan 0.000 0.510 45 V N -4.679 115.135 119.914 -0.167 0.000 3.346 45 V HA 0.570 4.747 4.120 0.095 0.000 0.309 45 V C 1.285 177.308 176.094 -0.119 0.000 1.457 45 V CA 0.084 62.306 62.300 -0.131 0.000 1.069 45 V CB -0.088 31.649 31.823 -0.144 0.000 0.944 45 V HN 0.252 nan 8.190 nan 0.000 0.449 46 G N 0.586 109.308 108.800 -0.131 0.000 2.198 46 G HA2 -0.159 3.858 3.960 0.095 0.000 0.257 46 G HA3 -0.159 3.858 3.960 0.095 0.000 0.257 46 G C -0.165 174.662 174.900 -0.123 0.000 1.042 46 G CA 0.330 45.367 45.100 -0.105 0.000 0.791 46 G HN 1.062 nan 8.290 nan 0.000 0.502 47 V N -0.323 119.476 119.914 -0.192 0.000 2.789 47 V HA 0.532 4.709 4.120 0.095 0.000 0.311 47 V C -0.295 175.672 176.094 -0.211 0.000 1.073 47 V CA -0.907 61.267 62.300 -0.210 0.000 0.921 47 V CB 2.101 33.720 31.823 -0.340 0.000 1.009 47 V HN 0.327 nan 8.190 nan 0.000 0.426 48 D N 3.731 124.034 120.400 -0.162 0.000 2.344 48 D HA 0.245 4.942 4.640 0.095 0.000 0.253 48 D C 0.172 176.374 176.300 -0.163 0.000 1.255 48 D CA 0.254 54.166 54.000 -0.146 0.000 0.894 48 D CB 0.650 41.378 40.800 -0.120 0.000 1.067 48 D HN 0.486 nan 8.370 nan 0.000 0.492 49 L N 3.579 124.708 121.223 -0.156 0.000 3.110 49 L HA 0.145 4.542 4.340 0.095 0.000 0.266 49 L C 0.860 177.741 176.870 0.017 0.000 1.257 49 L CA -0.390 54.394 54.840 -0.094 0.000 1.038 49 L CB 0.161 42.126 42.059 -0.157 0.000 1.395 49 L HN 0.378 nan 8.230 nan 0.000 0.566 50 T N -2.163 112.351 114.554 -0.066 0.000 2.868 50 T HA 0.665 5.072 4.350 0.095 0.000 0.292 50 T C 0.658 175.257 174.700 -0.168 0.000 1.028 50 T CA 0.408 62.445 62.100 -0.105 0.000 1.059 50 T CB 2.087 70.886 68.868 -0.116 0.000 0.991 50 T HN 0.441 nan 8.240 nan 0.000 0.531 51 G N 0.139 108.776 108.800 -0.272 0.000 2.447 51 G HA2 0.440 4.457 3.960 0.095 0.000 0.220 51 G HA3 0.440 4.457 3.960 0.095 0.000 0.220 51 G C 0.283 174.773 174.900 -0.684 0.000 1.261 51 G CA 0.056 44.871 45.100 -0.475 0.000 1.000 51 G HN 2.658 nan 8.290 nan 0.000 0.515 52 G N -2.226 106.063 108.800 -0.853 0.000 2.750 52 G HA2 0.152 4.169 3.960 0.095 0.000 0.228 52 G HA3 0.152 4.169 3.960 0.095 0.000 0.228 52 G C -0.165 174.492 174.900 -0.406 0.000 1.367 52 G CA 0.527 45.055 45.100 -0.953 0.000 0.871 52 G HN 1.753 nan 8.290 nan 0.000 0.560 53 W N -0.764 120.383 121.300 -0.255 0.000 2.666 53 W HA 0.607 5.333 4.660 0.110 0.000 0.334 53 W C -0.388 176.023 176.519 -0.179 0.000 1.051 53 W CA -1.467 55.773 57.345 -0.175 0.000 1.224 53 W CB 0.921 30.395 29.460 0.023 0.000 1.405 53 W HN 0.466 nan 8.180 nan 0.000 0.513 54 Y N 1.344 121.800 120.300 0.259 0.000 2.480 54 Y HA -0.092 4.435 4.550 -0.038 0.000 0.338 54 Y C 1.651 177.681 175.900 0.216 0.000 1.220 54 Y CA 0.333 58.540 58.100 0.177 0.000 1.430 54 Y CB 0.249 38.813 38.460 0.173 0.000 1.311 54 Y HN 0.424 nan 8.280 nan 0.000 0.575 55 D N 1.134 121.770 120.400 0.392 0.000 2.078 55 D HA -0.061 4.636 4.640 0.095 0.000 0.193 55 D C 1.027 177.522 176.300 0.324 0.000 0.990 55 D CA 2.000 56.226 54.000 0.377 0.000 0.827 55 D CB 0.298 41.413 40.800 0.526 0.000 0.975 55 D HN 0.628 nan 8.370 nan 0.000 0.451 56 A N -1.420 121.569 122.820 0.282 0.000 2.841 56 A HA 0.594 4.971 4.320 0.095 0.000 0.188 56 A C 1.464 179.139 177.584 0.153 0.000 1.149 56 A CA 0.177 52.358 52.037 0.239 0.000 1.384 56 A CB -0.251 18.872 19.000 0.205 0.000 1.874 56 A HN 0.153 nan 8.150 nan 0.000 0.643 57 G N 0.684 109.517 108.800 0.054 0.000 3.284 57 G HA2 0.378 4.395 3.960 0.095 0.000 0.236 57 G HA3 0.378 4.395 3.960 0.095 0.000 0.236 57 G C -0.056 174.503 174.900 -0.569 0.000 1.158 57 G CA 0.883 45.818 45.100 -0.274 0.000 0.774 57 G HN 0.711 nan 8.290 nan 0.000 0.545 58 D N -1.621 118.538 120.400 -0.402 0.000 2.616 58 D HA 0.251 4.948 4.640 0.095 0.000 0.260 58 D C -0.048 175.846 176.300 -0.676 0.000 1.158 58 D CA -0.819 52.875 54.000 -0.510 0.000 1.085 58 D CB 0.518 41.283 40.800 -0.058 0.000 1.222 58 D HN 0.049 nan 8.370 nan 0.000 0.626 59 H N -1.324 117.659 119.070 -0.145 0.000 2.662 59 H HA 0.331 4.928 4.556 0.068 0.000 0.268 59 H C -0.271 175.054 175.328 -0.004 0.000 1.152 59 H CA -0.304 55.513 56.048 -0.385 0.000 1.072 59 H CB 0.361 29.724 29.762 -0.665 0.000 1.660 59 H HN 0.032 nan 8.280 nan 0.000 0.584 60 V N 1.641 121.581 119.914 0.043 0.000 2.732 60 V HA 0.098 4.275 4.120 0.095 0.000 0.297 60 V C 0.543 176.570 176.094 -0.111 0.000 1.060 60 V CA -0.314 61.866 62.300 -0.199 0.000 1.038 60 V CB 1.542 32.922 31.823 -0.739 0.000 1.003 60 V HN 0.167 nan 8.190 nan 0.000 0.481 61 K N 4.040 124.348 120.400 -0.153 0.000 2.347 61 K HA 0.441 4.818 4.320 0.095 0.000 0.262 61 K C -1.306 175.282 176.600 -0.020 0.000 1.052 61 K CA -0.065 56.208 56.287 -0.023 0.000 0.946 61 K CB 0.552 33.020 32.500 -0.055 0.000 1.220 61 K HN 0.426 nan 8.250 nan 0.000 0.450 62 F N 2.215 122.273 119.950 0.179 0.000 2.313 62 F HA 0.230 4.803 4.527 0.077 0.000 0.369 62 F C 1.234 177.171 175.800 0.229 0.000 1.109 62 F CA -0.682 57.416 58.000 0.163 0.000 1.132 62 F CB 0.645 39.636 39.000 -0.015 0.000 1.291 62 F HN 0.532 nan 8.300 nan 0.000 0.496 63 N N 1.962 120.990 118.700 0.547 0.000 2.381 63 N HA -0.169 4.628 4.740 0.095 0.000 0.182 63 N C 1.866 177.624 175.510 0.414 0.000 1.025 63 N CA 0.378 53.774 53.050 0.578 0.000 0.888 63 N CB 0.188 39.041 38.487 0.611 0.000 0.965 63 N HN 0.449 nan 8.380 nan 0.000 0.438 64 L N 2.657 124.090 121.223 0.349 0.000 1.988 64 L HA -0.011 4.387 4.340 0.095 0.000 0.207 64 L C -1.003 176.014 176.870 0.245 0.000 1.071 64 L CA 1.921 56.911 54.840 0.249 0.000 0.744 64 L CB -1.240 40.971 42.059 0.254 0.000 0.893 64 L HN 0.036 nan 8.230 nan 0.000 0.433 65 P HA -0.176 nan 4.420 nan 0.000 0.222 65 P C 2.005 179.531 177.300 0.377 0.000 1.153 65 P CA 1.485 64.638 63.100 0.088 0.000 0.798 65 P CB -0.169 31.179 31.700 -0.587 0.000 0.796 66 M N 0.828 120.669 119.600 0.402 0.000 2.132 66 M HA -0.115 4.422 4.480 0.095 0.000 0.263 66 M C 2.126 178.867 176.300 0.734 0.000 1.065 66 M CA 2.358 58.036 55.300 0.631 0.000 1.122 66 M CB -0.283 32.725 32.600 0.680 0.000 1.365 66 M HN 0.004 nan 8.290 nan 0.000 0.411 67 S N -0.731 115.291 115.700 0.537 0.000 2.414 67 S HA -0.178 4.349 4.470 0.095 0.000 0.227 67 S C 1.806 176.611 174.600 0.341 0.000 1.022 67 S CA 0.747 59.092 58.200 0.242 0.000 0.958 67 S CB -1.071 61.924 63.200 -0.341 0.000 0.797 67 S HN 0.678 nan 8.310 nan 0.000 0.493 68 Y N 3.188 123.673 120.300 0.308 0.000 2.165 68 Y HA -0.150 4.451 4.550 0.084 0.000 0.286 68 Y C 2.367 178.497 175.900 0.384 0.000 1.155 68 Y CA 1.998 60.310 58.100 0.353 0.000 1.164 68 Y CB -1.139 37.540 38.460 0.364 0.000 0.978 68 Y HN 0.250 nan 8.280 nan 0.000 0.513 69 T N 0.058 114.832 114.554 0.368 0.000 2.643 69 T HA -0.224 4.183 4.350 0.095 0.000 0.264 69 T C 2.109 176.916 174.700 0.179 0.000 1.045 69 T CA 2.373 64.613 62.100 0.234 0.000 1.155 69 T CB -0.745 68.365 68.868 0.402 0.000 0.863 69 T HN 0.614 nan 8.240 nan 0.000 0.420 70 S N 2.066 117.992 115.700 0.376 0.000 2.399 70 S HA 0.015 4.542 4.470 0.095 0.000 0.231 70 S C 2.406 177.079 174.600 0.122 0.000 1.022 70 S CA 0.900 59.279 58.200 0.298 0.000 0.983 70 S CB -0.638 62.769 63.200 0.345 0.000 0.803 70 S HN 0.519 nan 8.310 nan 0.000 0.480 71 A N 2.303 125.181 122.820 0.096 0.000 1.898 71 A HA 0.070 4.447 4.320 0.095 0.000 0.216 71 A C 2.323 179.945 177.584 0.064 0.000 1.181 71 A CA 1.607 53.614 52.037 -0.050 0.000 0.620 71 A CB -0.615 18.441 19.000 0.093 0.000 0.819 71 A HN 0.460 nan 8.150 nan 0.000 0.442 72 M N -0.460 119.225 119.600 0.142 0.000 2.175 72 M HA -0.013 4.524 4.480 0.095 0.000 0.264 72 M C 2.121 178.521 176.300 0.167 0.000 1.063 72 M CA 1.156 56.613 55.300 0.261 0.000 1.119 72 M CB -1.254 31.331 32.600 -0.025 0.000 1.377 72 M HN 0.395 nan 8.290 nan 0.000 0.415 73 L N -0.380 120.874 121.223 0.052 0.000 2.056 73 L HA -0.137 4.260 4.340 0.095 0.000 0.207 73 L C 2.728 179.614 176.870 0.027 0.000 1.078 73 L CA 1.096 55.938 54.840 0.004 0.000 0.749 73 L CB -0.917 41.126 42.059 -0.026 0.000 0.901 73 L HN 0.245 nan 8.230 nan 0.000 0.433 74 A N -0.615 122.221 122.820 0.027 0.000 1.933 74 A HA -0.256 4.121 4.320 0.095 0.000 0.218 74 A C 2.037 179.708 177.584 0.144 0.000 1.175 74 A CA 1.302 53.335 52.037 -0.007 0.000 0.628 74 A CB -0.923 17.980 19.000 -0.162 0.000 0.814 74 A HN 0.628 nan 8.150 nan 0.000 0.444 75 W N 1.120 122.413 121.300 -0.011 0.000 2.355 75 W HA -0.162 4.552 4.660 0.090 0.000 0.309 75 W C 2.629 179.469 176.519 0.534 0.000 1.206 75 W CA 1.403 58.974 57.345 0.376 0.000 1.284 75 W CB -0.955 28.873 29.460 0.614 0.000 1.145 75 W HN 0.340 nan 8.180 nan 0.000 0.502 76 S N 0.099 116.058 115.700 0.431 0.000 2.370 76 S HA -0.227 4.300 4.470 0.095 0.000 0.226 76 S C 1.989 176.794 174.600 0.341 0.000 1.033 76 S CA 1.661 60.019 58.200 0.264 0.000 1.011 76 S CB -0.764 62.425 63.200 -0.020 0.000 0.852 76 S HN 0.195 nan 8.310 nan 0.000 0.457 77 L N 0.695 122.016 121.223 0.163 0.000 2.141 77 L HA 0.049 4.446 4.340 0.095 0.000 0.209 77 L C 2.028 179.036 176.870 0.230 0.000 1.094 77 L CA 1.936 56.796 54.840 0.033 0.000 0.763 77 L CB -1.177 40.758 42.059 -0.207 0.000 0.908 77 L HN 0.576 nan 8.230 nan 0.000 0.437 78 Y N 0.082 120.523 120.300 0.236 0.000 2.242 78 Y HA -0.148 4.459 4.550 0.094 0.000 0.291 78 Y C 2.280 178.366 175.900 0.310 0.000 1.137 78 Y CA 1.860 60.140 58.100 0.299 0.000 1.181 78 Y CB 0.020 38.769 38.460 0.482 0.000 0.989 78 Y HN 0.273 nan 8.280 nan 0.000 0.527 79 E N -0.351 120.014 120.200 0.275 0.000 2.122 79 E HA -0.072 4.335 4.350 0.095 0.000 0.190 79 E C 0.130 176.792 176.600 0.103 0.000 0.977 79 E CA 1.100 57.573 56.400 0.121 0.000 0.820 79 E CB 0.021 29.856 29.700 0.226 0.000 0.770 79 E HN 0.563 nan 8.360 nan 0.000 0.462 80 D N 0.406 120.924 120.400 0.197 0.000 2.938 80 D HA 0.059 4.756 4.640 0.095 0.000 0.369 80 D C 0.913 177.371 176.300 0.263 0.000 1.301 80 D CA -0.078 54.029 54.000 0.179 0.000 0.805 80 D CB 0.779 41.658 40.800 0.133 0.000 1.161 80 D HN 0.020 nan 8.370 nan 0.000 0.474 81 K N 1.317 121.848 120.400 0.218 0.000 2.152 81 K HA -0.178 4.199 4.320 0.095 0.000 0.206 81 K C 1.513 178.229 176.600 0.193 0.000 1.048 81 K CA 1.630 58.056 56.287 0.231 0.000 0.933 81 K CB 0.310 32.881 32.500 0.119 0.000 0.721 81 K HN 0.093 nan 8.250 nan 0.000 0.447 82 D N 0.524 121.002 120.400 0.129 0.000 2.149 82 D HA -0.204 4.493 4.640 0.095 0.000 0.198 82 D C 1.697 178.070 176.300 0.120 0.000 0.990 82 D CA 1.483 55.546 54.000 0.105 0.000 0.839 82 D CB -0.389 40.457 40.800 0.077 0.000 0.948 82 D HN 0.297 nan 8.370 nan 0.000 0.460 83 A N 0.027 122.904 122.820 0.095 0.000 1.898 83 A HA -0.133 4.244 4.320 0.095 0.000 0.216 83 A C 2.160 179.703 177.584 -0.068 0.000 1.181 83 A CA 1.065 53.149 52.037 0.079 0.000 0.620 83 A CB -1.107 17.854 19.000 -0.065 0.000 0.819 83 A HN 0.246 nan 8.150 nan 0.000 0.442 84 Y N 0.660 120.993 120.300 0.055 0.000 2.200 84 Y HA -0.171 4.435 4.550 0.093 0.000 0.290 84 Y C 2.274 178.183 175.900 0.015 0.000 1.137 84 Y CA 1.478 59.580 58.100 0.004 0.000 1.163 84 Y CB -0.301 38.163 38.460 0.006 0.000 0.988 84 Y HN 0.302 nan 8.280 nan 0.000 0.518 85 D N 0.053 120.557 120.400 0.173 0.000 2.097 85 D HA -0.136 4.561 4.640 0.095 0.000 0.195 85 D C 1.943 178.305 176.300 0.103 0.000 0.989 85 D CA 1.342 55.411 54.000 0.115 0.000 0.827 85 D CB -0.242 40.616 40.800 0.095 0.000 0.966 85 D HN 0.281 nan 8.370 nan 0.000 0.456 86 K N 0.498 120.978 120.400 0.135 0.000 2.097 86 K HA -0.065 4.312 4.320 0.095 0.000 0.206 86 K C 2.071 178.770 176.600 0.164 0.000 1.049 86 K CA 1.311 57.704 56.287 0.176 0.000 0.933 86 K CB -0.042 32.613 32.500 0.258 0.000 0.717 86 K HN 0.106 nan 8.250 nan 0.000 0.442 87 S N -0.470 115.245 115.700 0.024 0.000 2.562 87 S HA 0.065 4.592 4.470 0.095 0.000 0.221 87 S C 1.351 175.921 174.600 -0.050 0.000 0.975 87 S CA 0.397 58.468 58.200 -0.214 0.000 0.918 87 S CB 0.113 62.863 63.200 -0.750 0.000 0.772 87 S HN 0.426 nan 8.310 nan 0.000 0.531 88 G N 1.282 110.105 108.800 0.038 0.000 2.179 88 G HA2 -0.236 3.781 3.960 0.095 0.000 0.257 88 G HA3 -0.236 3.781 3.960 0.095 0.000 0.257 88 G C 0.571 175.567 174.900 0.159 0.000 1.010 88 G CA 0.455 45.607 45.100 0.086 0.000 0.736 88 G HN 0.532 nan 8.290 nan 0.000 0.513 89 Q N -0.647 119.255 119.800 0.171 0.000 2.247 89 Q HA 0.133 4.530 4.340 0.095 0.000 0.211 89 Q C 2.272 178.441 176.000 0.282 0.000 0.861 89 Q CA 0.921 56.918 55.803 0.324 0.000 0.949 89 Q CB -0.148 28.743 28.738 0.254 0.000 1.115 89 Q HN 0.498 nan 8.270 nan 0.000 0.507 90 T N 1.624 116.285 114.554 0.178 0.000 2.635 90 T HA -0.187 4.221 4.350 0.095 0.000 0.267 90 T C 1.727 176.391 174.700 -0.060 0.000 1.040 90 T CA 1.580 63.714 62.100 0.057 0.000 1.156 90 T CB 0.036 68.922 68.868 0.029 0.000 0.863 90 T HN 0.288 nan 8.240 nan 0.000 0.430 91 K N -0.084 120.234 120.400 -0.137 0.000 2.103 91 K HA -0.107 4.270 4.320 0.095 0.000 0.207 91 K C 2.145 178.609 176.600 -0.227 0.000 1.048 91 K CA 1.565 57.705 56.287 -0.246 0.000 0.930 91 K CB -0.295 31.970 32.500 -0.393 0.000 0.716 91 K HN 0.509 nan 8.250 nan 0.000 0.444 92 Y N 0.365 120.678 120.300 0.022 0.000 2.220 92 Y HA -0.113 4.493 4.550 0.094 0.000 0.291 92 Y C 2.224 178.147 175.900 0.039 0.000 1.129 92 Y CA 0.728 58.846 58.100 0.030 0.000 1.161 92 Y CB -0.127 38.356 38.460 0.038 0.000 0.997 92 Y HN 0.028 nan 8.280 nan 0.000 0.522 93 I N -0.331 120.331 120.570 0.153 0.000 2.439 93 I HA -0.279 3.948 4.170 0.095 0.000 0.251 93 I C 1.983 178.118 176.117 0.030 0.000 1.139 93 I CA 1.201 62.531 61.300 0.049 0.000 1.438 93 I CB -0.009 37.889 38.000 -0.169 0.000 1.085 93 I HN 0.263 nan 8.210 nan 0.000 0.427 94 M N 0.015 119.601 119.600 -0.024 0.000 2.175 94 M HA -0.204 4.333 4.480 0.095 0.000 0.264 94 M C 1.624 178.066 176.300 0.237 0.000 1.063 94 M CA 1.587 56.895 55.300 0.013 0.000 1.119 94 M CB -0.551 31.919 32.600 -0.216 0.000 1.377 94 M HN 0.157 nan 8.290 nan 0.000 0.415 95 D N 0.331 120.826 120.400 0.159 0.000 2.144 95 D HA -0.091 4.606 4.640 0.095 0.000 0.199 95 D C 2.015 178.463 176.300 0.247 0.000 0.984 95 D CA 1.519 55.631 54.000 0.186 0.000 0.834 95 D CB -0.500 40.376 40.800 0.126 0.000 0.955 95 D HN 0.431 nan 8.370 nan 0.000 0.465 96 G N 0.634 109.591 108.800 0.262 0.000 2.404 96 G HA2 -0.185 3.832 3.960 0.095 0.000 0.215 96 G HA3 -0.185 3.832 3.960 0.095 0.000 0.215 96 G C 1.801 176.913 174.900 0.353 0.000 1.174 96 G CA 0.227 45.564 45.100 0.395 0.000 0.780 96 G HN 0.262 nan 8.290 nan 0.000 0.537 97 I N 0.376 121.111 120.570 0.275 0.000 2.226 97 I HA -0.153 4.074 4.170 0.095 0.000 0.245 97 I C 2.690 178.889 176.117 0.137 0.000 1.100 97 I CA 1.423 62.860 61.300 0.228 0.000 1.374 97 I CB -0.113 38.064 38.000 0.296 0.000 1.057 97 I HN 0.146 nan 8.210 nan 0.000 0.413 98 K N 0.388 120.888 120.400 0.165 0.000 2.148 98 K HA -0.223 4.154 4.320 0.095 0.000 0.204 98 K C 2.224 178.747 176.600 -0.128 0.000 1.050 98 K CA 1.074 57.328 56.287 -0.056 0.000 0.942 98 K CB -0.220 32.178 32.500 -0.171 0.000 0.724 98 K HN 0.417 nan 8.250 nan 0.000 0.446 99 W N 1.246 122.401 121.300 -0.243 0.000 2.335 99 W HA -0.229 4.490 4.660 0.098 0.000 0.311 99 W C 1.791 177.930 176.519 -0.632 0.000 1.213 99 W CA 2.086 59.200 57.345 -0.385 0.000 1.274 99 W CB -0.288 28.963 29.460 -0.348 0.000 1.148 99 W HN 0.215 nan 8.180 nan 0.000 0.498 100 A N 0.744 123.137 122.820 -0.712 0.000 1.873 100 A HA -0.225 4.152 4.320 0.095 0.000 0.215 100 A C 1.816 178.875 177.584 -0.874 0.000 1.186 100 A CA 1.657 53.072 52.037 -1.036 0.000 0.616 100 A CB -1.190 17.167 19.000 -1.072 0.000 0.823 100 A HN 0.354 nan 8.150 nan 0.000 0.442 101 N N 0.250 118.722 118.700 -0.380 0.000 2.244 101 N HA -0.126 4.671 4.740 0.095 0.000 0.183 101 N C 0.858 176.259 175.510 -0.181 0.000 1.016 101 N CA 1.378 54.353 53.050 -0.126 0.000 0.866 101 N CB -0.328 38.167 38.487 0.014 0.000 0.980 101 N HN 0.394 nan 8.380 nan 0.000 0.430 102 D N 0.127 120.378 120.400 -0.249 0.000 2.144 102 D HA -0.153 4.544 4.640 0.095 0.000 0.199 102 D C 1.745 177.856 176.300 -0.315 0.000 0.984 102 D CA 0.671 54.518 54.000 -0.255 0.000 0.834 102 D CB -0.263 40.309 40.800 -0.380 0.000 0.955 102 D HN 0.356 nan 8.370 nan 0.000 0.465 103 Y N 0.452 120.400 120.300 -0.585 0.000 2.220 103 Y HA -0.175 4.452 4.550 0.128 0.000 0.291 103 Y C 1.833 177.543 175.900 -0.317 0.000 1.129 103 Y CA 1.250 59.026 58.100 -0.541 0.000 1.161 103 Y CB -0.530 37.498 38.460 -0.721 0.000 0.997 103 Y HN -0.184 nan 8.280 nan 0.000 0.522 104 F N 0.150 119.932 119.950 -0.280 0.000 2.216 104 F HA -0.226 4.359 4.527 0.096 0.000 0.300 104 F C 2.263 177.922 175.800 -0.236 0.000 1.085 104 F CA 0.612 58.469 58.000 -0.238 0.000 1.326 104 F CB -0.977 37.988 39.000 -0.059 0.000 1.027 104 F HN 0.106 nan 8.300 nan 0.000 0.497 105 I N 0.338 120.808 120.570 -0.168 0.000 2.226 105 I HA -0.257 3.970 4.170 0.095 0.000 0.245 105 I C 2.190 178.100 176.117 -0.346 0.000 1.100 105 I CA 1.367 62.401 61.300 -0.444 0.000 1.374 105 I CB -1.217 36.505 38.000 -0.463 0.000 1.057 105 I HN 0.171 nan 8.210 nan 0.000 0.413 106 K N -0.097 120.140 120.400 -0.271 0.000 2.147 106 K HA -0.154 4.223 4.320 0.095 0.000 0.205 106 K C 2.100 178.601 176.600 -0.165 0.000 1.049 106 K CA 1.324 57.482 56.287 -0.214 0.000 0.936 106 K CB -0.205 32.159 32.500 -0.226 0.000 0.722 106 K HN 0.323 nan 8.250 nan 0.000 0.446 107 C N 0.959 120.135 119.300 -0.206 0.000 2.491 107 C HA -0.010 4.507 4.460 0.095 0.000 0.277 107 C C 1.151 176.248 174.990 0.177 0.000 1.455 107 C CA 0.084 59.050 59.018 -0.086 0.000 1.758 107 C CB -1.357 26.219 27.740 -0.272 0.000 1.745 107 C HN 0.410 nan 8.230 nan 0.000 0.558 108 N N 0.833 119.638 118.700 0.174 0.000 2.818 108 N HA 0.105 4.902 4.740 0.095 0.000 0.301 108 N C -1.710 173.919 175.510 0.198 0.000 1.821 108 N CA -0.962 52.244 53.050 0.259 0.000 0.930 108 N CB 0.878 39.548 38.487 0.305 0.000 1.263 108 N HN 0.262 nan 8.380 nan 0.000 0.487 109 P HA -0.037 nan 4.420 nan 0.000 0.220 109 P C 0.303 177.674 177.300 0.118 0.000 1.148 109 P CA 1.105 64.277 63.100 0.120 0.000 0.803 109 P CB 0.443 32.209 31.700 0.111 0.000 0.782 110 T N -1.098 113.527 114.554 0.117 0.000 2.923 110 T HA 0.467 4.874 4.350 0.095 0.000 0.311 110 T C -3.090 171.650 174.700 0.067 0.000 1.183 110 T CA -2.085 60.062 62.100 0.077 0.000 1.020 110 T CB 1.420 70.322 68.868 0.056 0.000 1.165 110 T HN -0.330 nan 8.240 nan 0.000 0.482 111 P HA 0.288 nan 4.420 nan 0.000 0.262 111 P C 0.817 178.129 177.300 0.020 0.000 1.182 111 P CA 1.294 64.405 63.100 0.019 0.000 0.761 111 P CB 0.302 31.999 31.700 -0.004 0.000 0.795 112 G N 1.148 109.961 108.800 0.020 0.000 2.176 112 G HA2 -0.177 3.840 3.960 0.095 0.000 0.253 112 G HA3 -0.177 3.840 3.960 0.095 0.000 0.253 112 G C -0.096 174.813 174.900 0.015 0.000 0.979 112 G CA -0.187 44.919 45.100 0.009 0.000 0.641 112 G HN 0.547 nan 8.290 nan 0.000 0.530 113 V N 0.407 120.343 119.914 0.037 0.000 2.540 113 V HA 0.709 4.886 4.120 0.095 0.000 0.302 113 V C -0.850 175.291 176.094 0.079 0.000 1.035 113 V CA -0.954 61.347 62.300 0.002 0.000 0.873 113 V CB 1.894 33.701 31.823 -0.026 0.000 0.992 113 V HN 0.414 nan 8.190 nan 0.000 0.428 114 Y N 5.023 125.240 120.300 -0.139 0.000 2.332 114 Y HA 0.575 5.180 4.550 0.092 0.000 0.325 114 Y C -1.195 174.653 175.900 -0.087 0.000 1.054 114 Y CA -1.371 56.693 58.100 -0.061 0.000 1.119 114 Y CB 1.326 39.791 38.460 0.009 0.000 1.168 114 Y HN 0.607 nan 8.280 nan 0.000 0.439 115 Y N 6.755 126.767 120.300 -0.480 0.000 2.393 115 Y HA 0.147 4.753 4.550 0.093 0.000 0.338 115 Y C 0.391 175.858 175.900 -0.722 0.000 1.029 115 Y CA 0.130 57.978 58.100 -0.419 0.000 1.239 115 Y CB 0.483 38.761 38.460 -0.304 0.000 1.170 115 Y HN 0.700 nan 8.280 nan 0.000 0.515 116 Y N -0.219 119.936 120.300 -0.242 0.000 2.481 116 Y HA 0.433 5.039 4.550 0.094 0.000 0.247 116 Y C 0.025 176.058 175.900 0.222 0.000 1.151 116 Y CA -0.518 57.544 58.100 -0.063 0.000 1.238 116 Y CB 0.437 39.017 38.460 0.201 0.000 1.179 116 Y HN 0.533 nan 8.280 nan 0.000 0.524 117 Q N 0.749 120.457 119.800 -0.154 0.000 2.479 117 Q HA 0.618 5.015 4.340 0.095 0.000 0.276 117 Q C -2.414 173.624 176.000 0.063 0.000 0.989 117 Q CA -0.852 54.948 55.803 -0.005 0.000 0.864 117 Q CB 2.859 31.525 28.738 -0.120 0.000 1.444 117 Q HN 0.071 nan 8.270 nan 0.000 0.388 118 V N 2.344 122.284 119.914 0.043 0.000 2.524 118 V HA 0.910 5.087 4.120 0.095 0.000 0.297 118 V C -0.070 176.004 176.094 -0.034 0.000 1.035 118 V CA 0.316 62.621 62.300 0.008 0.000 0.867 118 V CB 1.248 33.077 31.823 0.010 0.000 1.004 118 V HN 1.028 nan 8.190 nan 0.000 0.426 119 G N 3.219 112.017 108.800 -0.004 0.000 2.576 119 G HA2 0.063 4.080 3.960 0.095 0.000 0.686 119 G HA3 0.063 4.080 3.960 0.095 0.000 0.686 119 G C -1.467 173.430 174.900 -0.005 0.000 1.242 119 G CA -0.433 44.640 45.100 -0.046 0.000 0.819 119 G HN 0.804 nan 8.290 nan 0.000 0.655 120 D N 0.716 121.102 120.400 -0.025 0.000 2.308 120 D HA 0.516 5.213 4.640 0.095 0.000 0.242 120 D C 1.530 177.709 176.300 -0.201 0.000 1.059 120 D CA 0.371 54.358 54.000 -0.023 0.000 0.830 120 D CB 1.356 42.208 40.800 0.085 0.000 1.161 120 D HN 0.718 nan 8.370 nan 0.000 0.494 121 G N 3.204 111.785 108.800 -0.366 0.000 2.476 121 G HA2 -0.276 3.741 3.960 0.095 0.000 0.218 121 G HA3 -0.276 3.741 3.960 0.095 0.000 0.218 121 G C 1.294 175.975 174.900 -0.365 0.000 1.164 121 G CA 1.158 45.835 45.100 -0.704 0.000 0.768 121 G HN 0.602 nan 8.290 nan 0.000 0.560 122 G N 0.479 109.257 108.800 -0.036 0.000 2.418 122 G HA2 -0.153 3.864 3.960 0.095 0.000 0.217 122 G HA3 -0.153 3.864 3.960 0.095 0.000 0.217 122 G C 1.848 176.783 174.900 0.057 0.000 1.158 122 G CA 1.159 46.298 45.100 0.064 0.000 0.771 122 G HN 0.490 nan 8.290 nan 0.000 0.545 123 K N -0.034 120.382 120.400 0.026 0.000 2.062 123 K HA -0.029 4.348 4.320 0.095 0.000 0.205 123 K C 2.146 178.790 176.600 0.073 0.000 1.051 123 K CA 1.270 57.583 56.287 0.045 0.000 0.941 123 K CB -0.122 32.387 32.500 0.016 0.000 0.719 123 K HN 0.319 nan 8.250 nan 0.000 0.440 124 D N 0.214 120.628 120.400 0.025 0.000 2.123 124 D HA -0.118 4.579 4.640 0.095 0.000 0.200 124 D C 1.530 178.009 176.300 0.300 0.000 0.976 124 D CA 1.138 55.206 54.000 0.114 0.000 0.831 124 D CB 0.162 40.971 40.800 0.014 0.000 0.974 124 D HN 0.337 nan 8.370 nan 0.000 0.469 125 H N -1.080 118.073 119.070 0.139 0.000 2.529 125 H HA 0.045 4.655 4.556 0.089 0.000 0.277 125 H C 1.525 176.989 175.328 0.225 0.000 0.999 125 H CA 0.669 56.827 56.048 0.183 0.000 1.256 125 H CB 0.213 30.094 29.762 0.198 0.000 1.402 125 H HN 0.142 nan 8.280 nan 0.000 0.566 126 S N -0.490 115.411 115.700 0.334 0.000 2.701 126 S HA -0.047 4.481 4.470 0.095 0.000 0.220 126 S C -0.165 174.654 174.600 0.365 0.000 0.954 126 S CA -0.415 57.955 58.200 0.285 0.000 0.936 126 S CB -0.336 62.989 63.200 0.209 0.000 0.777 126 S HN 0.401 nan 8.310 nan 0.000 0.518 127 W N 0.835 122.244 121.300 0.181 0.000 2.957 127 W HA 0.558 5.267 4.660 0.082 0.000 0.336 127 W C -1.952 174.695 176.519 0.213 0.000 1.087 127 W CA -1.417 56.032 57.345 0.173 0.000 1.235 127 W CB 0.926 30.458 29.460 0.121 0.000 1.399 127 W HN 0.186 nan 8.180 nan 0.000 0.480 128 W N 8.213 129.154 121.300 -0.599 0.000 2.363 128 W HA 0.580 5.312 4.660 0.120 0.000 0.314 128 W C -0.635 175.225 176.519 -1.098 0.000 0.994 128 W CA -0.311 56.654 57.345 -0.634 0.000 1.449 128 W CB 0.932 30.189 29.460 -0.338 0.000 1.248 128 W HN 0.754 nan 8.180 nan 0.000 0.409 129 G N 5.495 113.302 108.800 -1.654 0.000 2.600 129 G HA2 0.438 4.455 3.960 0.095 0.000 0.293 129 G HA3 0.438 4.455 3.960 0.095 0.000 0.293 129 G C -3.271 171.190 174.900 -0.730 0.000 1.408 129 G CA -0.921 43.322 45.100 -1.429 0.000 0.782 129 G HN -0.020 nan 8.290 nan 0.000 0.482 130 P HA 0.302 nan 4.420 nan 0.000 0.275 130 P C 1.003 178.318 177.300 0.024 0.000 1.227 130 P CA 0.541 63.632 63.100 -0.015 0.000 0.781 130 P CB 1.685 33.407 31.700 0.037 0.000 0.906 131 A N 4.008 126.655 122.820 -0.288 0.000 1.940 131 A HA -0.271 4.106 4.320 0.095 0.000 0.221 131 A C 1.914 179.359 177.584 -0.232 0.000 1.190 131 A CA 2.116 53.755 52.037 -0.663 0.000 0.647 131 A CB -1.383 17.292 19.000 -0.542 0.000 0.821 131 A HN 0.548 nan 8.150 nan 0.000 0.457 132 E N -0.785 119.377 120.200 -0.063 0.000 2.267 132 E HA -0.098 4.309 4.350 0.095 0.000 0.197 132 E C 1.404 177.985 176.600 -0.032 0.000 0.998 132 E CA 1.369 57.758 56.400 -0.019 0.000 0.830 132 E CB -0.281 29.434 29.700 0.026 0.000 0.751 132 E HN 0.778 nan 8.360 nan 0.000 0.491 133 V N -2.652 117.268 119.914 0.011 0.000 2.988 133 V HA 0.326 4.503 4.120 0.095 0.000 0.356 133 V C 0.301 176.219 176.094 -0.292 0.000 1.380 133 V CA -0.480 61.779 62.300 -0.067 0.000 1.184 133 V CB -0.539 31.358 31.823 0.124 0.000 1.204 133 V HN 0.005 nan 8.190 nan 0.000 0.530 134 M N 1.556 120.937 119.600 -0.365 0.000 2.251 134 M HA 0.191 4.728 4.480 0.095 0.000 0.343 134 M C 0.956 176.886 176.300 -0.616 0.000 1.245 134 M CA 0.788 55.667 55.300 -0.701 0.000 1.061 134 M CB 0.727 33.074 32.600 -0.422 0.000 1.723 134 M HN 0.348 nan 8.290 nan 0.000 0.449 135 Q N 2.021 121.384 119.800 -0.729 0.000 2.245 135 Q HA 0.192 4.589 4.340 0.095 0.000 0.236 135 Q C 0.221 176.015 176.000 -0.343 0.000 0.842 135 Q CA 0.242 55.747 55.803 -0.495 0.000 0.945 135 Q CB 0.449 28.898 28.738 -0.482 0.000 1.122 135 Q HN 0.734 nan 8.270 nan 0.000 0.506 136 M N 0.240 119.632 119.600 -0.347 0.000 2.227 136 M HA 0.357 4.894 4.480 0.095 0.000 0.316 136 M C -0.092 176.115 176.300 -0.154 0.000 1.144 136 M CA 0.011 55.186 55.300 -0.207 0.000 1.121 136 M CB 0.297 32.800 32.600 -0.162 0.000 1.440 136 M HN -0.142 nan 8.290 nan 0.000 0.473 137 E N 1.145 121.280 120.200 -0.108 0.000 2.415 137 E HA 0.150 4.557 4.350 0.095 0.000 0.262 137 E C -0.603 175.945 176.600 -0.088 0.000 1.038 137 E CA 0.250 56.593 56.400 -0.095 0.000 0.921 137 E CB 0.510 30.166 29.700 -0.074 0.000 0.950 137 E HN 0.494 nan 8.360 nan 0.000 0.438 138 R N 2.994 123.436 120.500 -0.098 0.000 2.585 138 R HA 0.226 4.623 4.340 0.095 0.000 0.278 138 R C -2.367 173.857 176.300 -0.126 0.000 1.663 138 R CA -1.605 54.444 56.100 -0.086 0.000 1.592 138 R CB 0.936 31.189 30.300 -0.078 0.000 1.200 138 R HN 0.395 nan 8.270 nan 0.000 0.611 139 P HA 0.026 nan 4.420 nan 0.000 0.269 139 P C -0.520 176.478 177.300 -0.503 0.000 1.209 139 P CA 0.033 62.923 63.100 -0.350 0.000 0.776 139 P CB 1.241 32.698 31.700 -0.405 0.000 0.876 140 S N 1.619 116.966 115.700 -0.590 0.000 2.525 140 S HA 0.641 5.169 4.470 0.095 0.000 0.290 140 S C -0.466 173.743 174.600 -0.652 0.000 1.152 140 S CA -0.239 57.693 58.200 -0.445 0.000 1.072 140 S CB 0.218 63.216 63.200 -0.338 0.000 1.027 140 S HN 0.285 nan 8.310 nan 0.000 0.500 141 F N 1.854 121.747 119.950 -0.095 0.000 2.551 141 F HA 0.573 5.154 4.527 0.090 0.000 0.316 141 F C 0.188 175.845 175.800 -0.239 0.000 1.089 141 F CA -0.958 56.916 58.000 -0.210 0.000 0.915 141 F CB 1.836 40.513 39.000 -0.539 0.000 1.186 141 F HN 0.454 nan 8.300 nan 0.000 0.456 142 K N 0.881 121.340 120.400 0.098 0.000 2.443 142 K HA 0.922 5.299 4.320 0.095 0.000 0.251 142 K C -1.597 175.158 176.600 0.258 0.000 0.972 142 K CA -1.011 55.255 56.287 -0.035 0.000 0.833 142 K CB 2.504 34.560 32.500 -0.739 0.000 1.317 142 K HN 0.469 nan 8.250 nan 0.000 0.441 143 V N -1.389 118.644 119.914 0.199 0.000 2.919 143 V HA 0.736 4.913 4.120 0.095 0.000 0.316 143 V C -1.220 174.897 176.094 0.039 0.000 1.077 143 V CA -0.528 61.844 62.300 0.120 0.000 0.977 143 V CB 1.329 33.197 31.823 0.076 0.000 1.039 143 V HN 1.134 nan 8.190 nan 0.000 0.441 144 D N 1.302 121.709 120.400 0.011 0.000 2.838 144 D HA 0.584 5.281 4.640 0.095 0.000 0.334 144 D C 0.761 177.046 176.300 -0.024 0.000 1.315 144 D CA -0.019 53.976 54.000 -0.009 0.000 0.917 144 D CB 1.019 41.808 40.800 -0.018 0.000 1.435 144 D HN 0.791 nan 8.370 nan 0.000 0.517 145 A N -0.043 122.759 122.820 -0.029 0.000 1.948 145 A HA -0.118 4.259 4.320 0.095 0.000 0.220 145 A C 1.968 179.531 177.584 -0.035 0.000 1.177 145 A CA 3.059 55.072 52.037 -0.040 0.000 0.636 145 A CB -1.182 17.798 19.000 -0.033 0.000 0.815 145 A HN 0.758 nan 8.150 nan 0.000 0.449 146 S N -1.340 114.348 115.700 -0.020 0.000 2.470 146 S HA 0.093 4.620 4.470 0.095 0.000 0.225 146 S C 0.706 175.301 174.600 -0.007 0.000 1.006 146 S CA 0.622 58.815 58.200 -0.012 0.000 0.934 146 S CB -0.046 63.152 63.200 -0.002 0.000 0.778 146 S HN 0.485 nan 8.310 nan 0.000 0.517 147 K N 2.673 123.070 120.400 -0.005 0.000 2.752 147 K HA 0.382 4.759 4.320 0.095 0.000 0.199 147 K C -3.064 173.529 176.600 -0.013 0.000 1.069 147 K CA -1.855 54.436 56.287 0.007 0.000 1.033 147 K CB 2.100 34.626 32.500 0.043 0.000 1.229 147 K HN 0.276 nan 8.250 nan 0.000 0.572 148 P HA 0.103 nan 4.420 nan 0.000 0.274 148 P C -0.152 177.079 177.300 -0.115 0.000 1.231 148 P CA -0.181 62.860 63.100 -0.097 0.000 0.790 148 P CB 1.307 32.918 31.700 -0.149 0.000 0.951 149 G N 0.618 109.327 108.800 -0.153 0.000 4.142 149 G HA2 0.218 4.235 3.960 0.095 0.000 0.310 149 G HA3 0.218 4.235 3.960 0.095 0.000 0.310 149 G C 0.792 175.537 174.900 -0.258 0.000 1.384 149 G CA -0.165 44.817 45.100 -0.197 0.000 0.838 149 G HN 0.337 nan 8.290 nan 0.000 0.512 150 S N 0.973 116.460 115.700 -0.354 0.000 2.359 150 S HA -0.150 4.377 4.470 0.095 0.000 0.224 150 S C 2.843 177.300 174.600 -0.239 0.000 1.035 150 S CA 1.692 59.654 58.200 -0.397 0.000 1.018 150 S CB -0.021 62.709 63.200 -0.783 0.000 0.876 150 S HN 0.800 nan 8.310 nan 0.000 0.448 151 A N 0.808 123.519 122.820 -0.182 0.000 1.865 151 A HA -0.096 4.281 4.320 0.095 0.000 0.217 151 A C 2.368 179.867 177.584 -0.142 0.000 1.191 151 A CA 1.865 53.843 52.037 -0.098 0.000 0.623 151 A CB -1.164 17.781 19.000 -0.091 0.000 0.826 151 A HN 0.368 nan 8.150 nan 0.000 0.444 152 V N -0.878 118.864 119.914 -0.285 0.000 2.427 152 V HA -0.232 3.945 4.120 0.095 0.000 0.248 152 V C 2.493 178.520 176.094 -0.112 0.000 1.051 152 V CA 2.278 64.490 62.300 -0.146 0.000 1.048 152 V CB -0.690 31.059 31.823 -0.123 0.000 0.666 152 V HN 0.703 nan 8.190 nan 0.000 0.456 153 C N 0.127 119.318 119.300 -0.182 0.000 2.446 153 C HA -0.011 4.506 4.460 0.095 0.000 0.277 153 C C 3.027 177.877 174.990 -0.233 0.000 1.275 153 C CA 0.985 59.807 59.018 -0.327 0.000 1.727 153 C CB -1.321 26.266 27.740 -0.255 0.000 2.010 153 C HN 0.699 nan 8.230 nan 0.000 0.486 154 A N -0.519 122.235 122.820 -0.109 0.000 1.930 154 A HA -0.147 4.230 4.320 0.095 0.000 0.217 154 A C 2.308 179.938 177.584 0.076 0.000 1.175 154 A CA 2.018 54.076 52.037 0.034 0.000 0.627 154 A CB -0.913 18.134 19.000 0.079 0.000 0.815 154 A HN 0.504 nan 8.150 nan 0.000 0.443 155 S N -0.795 114.943 115.700 0.064 0.000 2.382 155 S HA -0.137 4.390 4.470 0.095 0.000 0.228 155 S C 2.009 176.596 174.600 -0.022 0.000 1.027 155 S CA 2.199 60.487 58.200 0.147 0.000 0.991 155 S CB -0.512 62.781 63.200 0.155 0.000 0.823 155 S HN 0.621 nan 8.310 nan 0.000 0.469 156 T N 1.776 116.201 114.554 -0.216 0.000 2.857 156 T HA 0.121 4.528 4.350 0.095 0.000 0.266 156 T C 2.083 176.599 174.700 -0.308 0.000 1.048 156 T CA 1.107 62.929 62.100 -0.463 0.000 1.139 156 T CB -0.590 67.878 68.868 -0.667 0.000 0.874 156 T HN 0.500 nan 8.240 nan 0.000 0.455 157 A N 1.558 124.258 122.820 -0.200 0.000 1.933 157 A HA 0.147 4.524 4.320 0.095 0.000 0.218 157 A C 2.634 180.131 177.584 -0.145 0.000 1.175 157 A CA 1.783 53.743 52.037 -0.127 0.000 0.628 157 A CB -1.066 17.931 19.000 -0.004 0.000 0.814 157 A HN 0.498 nan 8.150 nan 0.000 0.444 158 A N -0.713 122.036 122.820 -0.117 0.000 1.902 158 A HA -0.121 4.256 4.320 0.095 0.000 0.217 158 A C 2.496 179.860 177.584 -0.367 0.000 1.181 158 A CA 2.235 54.124 52.037 -0.247 0.000 0.623 158 A CB -1.030 17.844 19.000 -0.209 0.000 0.818 158 A HN 0.600 nan 8.150 nan 0.000 0.443 159 S N -0.438 115.133 115.700 -0.215 0.000 2.353 159 S HA -0.131 4.396 4.470 0.095 0.000 0.222 159 S C 1.974 176.481 174.600 -0.156 0.000 1.035 159 S CA 1.587 59.691 58.200 -0.160 0.000 1.025 159 S CB -0.517 62.656 63.200 -0.044 0.000 0.902 159 S HN 0.472 nan 8.310 nan 0.000 0.440 160 L N 0.966 122.108 121.223 -0.136 0.000 2.046 160 L HA -0.075 4.322 4.340 0.095 0.000 0.208 160 L C 2.959 179.721 176.870 -0.180 0.000 1.077 160 L CA 1.314 56.076 54.840 -0.131 0.000 0.747 160 L CB -0.655 41.339 42.059 -0.109 0.000 0.896 160 L HN 0.445 nan 8.230 nan 0.000 0.432 161 A N -0.066 122.633 122.820 -0.202 0.000 1.898 161 A HA -0.189 4.188 4.320 0.095 0.000 0.216 161 A C 2.522 179.999 177.584 -0.178 0.000 1.181 161 A CA 1.785 53.713 52.037 -0.183 0.000 0.620 161 A CB -0.675 18.218 19.000 -0.178 0.000 0.819 161 A HN 0.508 nan 8.150 nan 0.000 0.442 162 S N 0.315 115.781 115.700 -0.389 0.000 2.383 162 S HA 0.033 4.561 4.470 0.095 0.000 0.227 162 S C 2.090 176.536 174.600 -0.256 0.000 1.026 162 S CA 1.268 59.090 58.200 -0.629 0.000 0.981 162 S CB -0.681 61.616 63.200 -1.505 0.000 0.818 162 S HN 0.866 nan 8.310 nan 0.000 0.472 163 A N 2.307 125.037 122.820 -0.150 0.000 1.902 163 A HA 0.248 4.625 4.320 0.095 0.000 0.217 163 A C 2.562 180.228 177.584 0.137 0.000 1.181 163 A CA 1.835 53.912 52.037 0.066 0.000 0.623 163 A CB -1.526 17.473 19.000 -0.003 0.000 0.818 163 A HN 0.866 nan 8.150 nan 0.000 0.443 164 A N -0.485 122.320 122.820 -0.026 0.000 1.883 164 A HA -0.036 4.341 4.320 0.095 0.000 0.217 164 A C 2.236 179.865 177.584 0.076 0.000 1.186 164 A CA 1.862 53.895 52.037 -0.006 0.000 0.624 164 A CB -1.058 17.890 19.000 -0.087 0.000 0.822 164 A HN 0.418 nan 8.150 nan 0.000 0.444 165 V N 0.291 120.235 119.914 0.051 0.000 2.282 165 V HA -0.278 3.899 4.120 0.095 0.000 0.249 165 V C 2.659 178.841 176.094 0.147 0.000 1.057 165 V CA 2.247 64.603 62.300 0.092 0.000 1.032 165 V CB -0.969 30.916 31.823 0.103 0.000 0.645 165 V HN 0.653 nan 8.190 nan 0.000 0.447 166 V N -4.220 115.783 119.914 0.149 0.000 3.306 166 V HA 0.064 4.241 4.120 0.095 0.000 0.264 166 V C 1.918 177.997 176.094 -0.026 0.000 1.149 166 V CA 1.267 63.619 62.300 0.087 0.000 1.143 166 V CB -0.748 31.096 31.823 0.036 0.000 0.767 166 V HN 0.380 nan 8.190 nan 0.000 0.476 167 F N 0.239 120.232 119.950 0.071 0.000 2.731 167 F HA 0.348 4.929 4.527 0.091 0.000 0.298 167 F C 2.266 178.113 175.800 0.080 0.000 1.106 167 F CA 0.504 58.561 58.000 0.096 0.000 1.329 167 F CB 0.139 39.252 39.000 0.189 0.000 1.100 167 F HN -0.009 nan 8.300 nan 0.000 0.592 168 K N 0.667 121.189 120.400 0.204 0.000 2.044 168 K HA -0.236 4.141 4.320 0.095 0.000 0.210 168 K C 2.247 178.908 176.600 0.102 0.000 1.049 168 K CA 2.093 58.460 56.287 0.133 0.000 0.927 168 K CB -0.275 32.277 32.500 0.086 0.000 0.713 168 K HN 0.340 nan 8.250 nan 0.000 0.443 169 S N -0.255 115.491 115.700 0.077 0.000 2.423 169 S HA -0.101 4.426 4.470 0.095 0.000 0.231 169 S C 1.991 176.622 174.600 0.052 0.000 1.014 169 S CA 1.432 59.664 58.200 0.054 0.000 0.965 169 S CB -0.131 63.092 63.200 0.038 0.000 0.785 169 S HN 0.452 nan 8.310 nan 0.000 0.495 170 S N -0.151 115.584 115.700 0.058 0.000 2.492 170 S HA 0.204 4.731 4.470 0.095 0.000 0.218 170 S C 0.330 174.998 174.600 0.113 0.000 1.016 170 S CA 0.224 58.459 58.200 0.058 0.000 0.916 170 S CB 0.054 63.259 63.200 0.007 0.000 0.791 170 S HN 0.398 nan 8.310 nan 0.000 0.513 171 D N 1.599 122.112 120.400 0.189 0.000 2.714 171 D HA 0.302 4.999 4.640 0.095 0.000 0.264 171 D C -2.197 174.228 176.300 0.208 0.000 1.231 171 D CA -1.755 52.373 54.000 0.213 0.000 0.802 171 D CB 1.577 42.565 40.800 0.312 0.000 1.319 171 D HN 0.047 nan 8.370 nan 0.000 0.528 172 P HA -0.143 nan 4.420 nan 0.000 0.218 172 P C 1.355 178.704 177.300 0.081 0.000 1.148 172 P CA 1.034 64.191 63.100 0.096 0.000 0.822 172 P CB 0.352 32.091 31.700 0.065 0.000 0.784 173 T N -1.138 113.469 114.554 0.089 0.000 2.746 173 T HA -0.179 4.228 4.350 0.095 0.000 0.267 173 T C 1.756 176.514 174.700 0.097 0.000 1.039 173 T CA 1.137 63.282 62.100 0.074 0.000 1.142 173 T CB -1.051 67.858 68.868 0.068 0.000 0.866 173 T HN 0.151 nan 8.240 nan 0.000 0.444 174 Y N 1.504 121.792 120.300 -0.020 0.000 2.200 174 Y HA 0.030 4.636 4.550 0.092 0.000 0.290 174 Y C 2.544 178.404 175.900 -0.067 0.000 1.137 174 Y CA 0.830 58.883 58.100 -0.078 0.000 1.163 174 Y CB -0.297 38.069 38.460 -0.157 0.000 0.988 174 Y HN 0.191 nan 8.280 nan 0.000 0.518 175 A N 0.300 123.104 122.820 -0.026 0.000 1.902 175 A HA -0.260 4.117 4.320 0.095 0.000 0.217 175 A C 2.139 179.646 177.584 -0.127 0.000 1.181 175 A CA 1.908 53.886 52.037 -0.097 0.000 0.623 175 A CB -0.877 18.152 19.000 0.047 0.000 0.818 175 A HN 0.674 nan 8.150 nan 0.000 0.443 176 E N -0.128 120.033 120.200 -0.064 0.000 2.077 176 E HA -0.248 4.159 4.350 0.095 0.000 0.193 176 E C 2.059 178.610 176.600 -0.083 0.000 0.989 176 E CA 1.535 57.900 56.400 -0.057 0.000 0.800 176 E CB -0.151 29.537 29.700 -0.020 0.000 0.746 176 E HN 0.631 nan 8.360 nan 0.000 0.452 177 K N -0.002 120.341 120.400 -0.095 0.000 2.057 177 K HA -0.135 4.242 4.320 0.095 0.000 0.206 177 K C 2.181 178.737 176.600 -0.074 0.000 1.050 177 K CA 1.539 57.790 56.287 -0.059 0.000 0.935 177 K CB -0.229 32.257 32.500 -0.024 0.000 0.715 177 K HN 0.235 nan 8.250 nan 0.000 0.439 178 C N 0.988 120.117 119.300 -0.286 0.000 2.413 178 C HA -0.121 4.396 4.460 0.095 0.000 0.276 178 C C 2.501 177.406 174.990 -0.142 0.000 1.236 178 C CA 0.369 59.217 59.018 -0.283 0.000 1.735 178 C CB -0.763 26.697 27.740 -0.466 0.000 2.031 178 C HN 0.512 nan 8.230 nan 0.000 0.474 179 I N 0.786 121.269 120.570 -0.145 0.000 2.226 179 I HA -0.157 4.071 4.170 0.095 0.000 0.245 179 I C 2.712 178.768 176.117 -0.102 0.000 1.100 179 I CA 1.707 62.933 61.300 -0.124 0.000 1.374 179 I CB -1.734 36.202 38.000 -0.108 0.000 1.057 179 I HN 0.338 nan 8.210 nan 0.000 0.413 180 S N 0.029 115.665 115.700 -0.107 0.000 2.359 180 S HA -0.246 4.281 4.470 0.095 0.000 0.224 180 S C 2.047 176.524 174.600 -0.206 0.000 1.035 180 S CA 1.739 59.844 58.200 -0.158 0.000 1.018 180 S CB -0.329 62.742 63.200 -0.215 0.000 0.876 180 S HN 0.543 nan 8.310 nan 0.000 0.448 181 H N 0.418 119.440 119.070 -0.079 0.000 2.428 181 H HA 0.290 4.905 4.556 0.098 0.000 0.296 181 H C 2.360 177.638 175.328 -0.083 0.000 1.062 181 H CA 1.143 57.150 56.048 -0.068 0.000 1.350 181 H CB -0.331 29.390 29.762 -0.068 0.000 1.403 181 H HN 0.481 nan 8.280 nan 0.000 0.533 182 A N 1.291 124.107 122.820 -0.006 0.000 1.902 182 A HA -0.209 4.168 4.320 0.095 0.000 0.217 182 A C 2.053 179.623 177.584 -0.023 0.000 1.181 182 A CA 1.662 53.662 52.037 -0.061 0.000 0.623 182 A CB -0.276 18.646 19.000 -0.131 0.000 0.818 182 A HN 0.327 nan 8.150 nan 0.000 0.443 183 K N -0.381 120.003 120.400 -0.027 0.000 2.057 183 K HA -0.165 4.212 4.320 0.095 0.000 0.207 183 K C 2.086 178.751 176.600 0.109 0.000 1.049 183 K CA 1.377 57.702 56.287 0.063 0.000 0.931 183 K CB -0.278 32.254 32.500 0.054 0.000 0.714 183 K HN 0.620 nan 8.250 nan 0.000 0.440 184 N N 1.083 119.800 118.700 0.028 0.000 2.142 184 N HA -0.128 4.669 4.740 0.095 0.000 0.186 184 N C 1.860 177.369 175.510 -0.001 0.000 1.023 184 N CA 0.854 53.911 53.050 0.013 0.000 0.852 184 N CB 0.076 38.554 38.487 -0.015 0.000 0.998 184 N HN 0.104 nan 8.380 nan 0.000 0.424 185 L N -0.111 121.095 121.223 -0.028 0.000 2.093 185 L HA -0.134 4.263 4.340 0.095 0.000 0.208 185 L C 2.391 179.223 176.870 -0.065 0.000 1.085 185 L CA 0.882 55.651 54.840 -0.118 0.000 0.755 185 L CB -0.578 41.327 42.059 -0.256 0.000 0.904 185 L HN 0.170 nan 8.230 nan 0.000 0.435 186 F N 1.461 121.351 119.950 -0.100 0.000 2.113 186 F HA -0.250 4.333 4.527 0.093 0.000 0.297 186 F C 2.179 177.975 175.800 -0.006 0.000 1.103 186 F CA 1.981 59.953 58.000 -0.047 0.000 1.248 186 F CB -0.271 38.724 39.000 -0.008 0.000 0.999 186 F HN 0.102 nan 8.300 nan 0.000 0.475 187 D N -0.054 120.320 120.400 -0.043 0.000 2.117 187 D HA -0.236 4.461 4.640 0.095 0.000 0.197 187 D C 2.252 178.439 176.300 -0.190 0.000 0.987 187 D CA 1.895 55.821 54.000 -0.123 0.000 0.829 187 D CB -0.138 40.680 40.800 0.029 0.000 0.961 187 D HN 0.366 nan 8.370 nan 0.000 0.460 188 M N -0.044 119.470 119.600 -0.145 0.000 2.080 188 M HA -0.168 4.369 4.480 0.095 0.000 0.260 188 M C 2.354 178.519 176.300 -0.224 0.000 1.068 188 M CA 1.767 56.978 55.300 -0.148 0.000 1.109 188 M CB -0.297 32.236 32.600 -0.111 0.000 1.342 188 M HN 0.118 nan 8.290 nan 0.000 0.405 189 A N -0.001 122.649 122.820 -0.283 0.000 1.877 189 A HA -0.238 4.139 4.320 0.095 0.000 0.216 189 A C 1.772 179.104 177.584 -0.420 0.000 1.186 189 A CA 2.331 54.158 52.037 -0.350 0.000 0.620 189 A CB -0.957 17.856 19.000 -0.313 0.000 0.822 189 A HN 0.506 nan 8.150 nan 0.000 0.443 190 D N -0.694 119.402 120.400 -0.507 0.000 2.117 190 D HA -0.132 4.565 4.640 0.095 0.000 0.197 190 D C 1.952 178.118 176.300 -0.223 0.000 0.987 190 D CA 1.628 55.377 54.000 -0.419 0.000 0.829 190 D CB -0.097 40.343 40.800 -0.600 0.000 0.961 190 D HN 0.467 nan 8.370 nan 0.000 0.460 191 K N -0.351 119.926 120.400 -0.205 0.000 2.103 191 K HA 0.058 4.435 4.320 0.095 0.000 0.204 191 K C 2.093 178.607 176.600 -0.143 0.000 1.052 191 K CA 0.961 57.171 56.287 -0.128 0.000 0.945 191 K CB -0.023 32.416 32.500 -0.102 0.000 0.722 191 K HN 0.113 nan 8.250 nan 0.000 0.443 192 A N 1.346 124.041 122.820 -0.208 0.000 1.872 192 A HA -0.092 4.285 4.320 0.095 0.000 0.214 192 A C 0.426 177.816 177.584 -0.322 0.000 1.187 192 A CA 0.822 52.719 52.037 -0.233 0.000 0.614 192 A CB -0.160 18.689 19.000 -0.253 0.000 0.826 192 A HN 0.258 nan 8.150 nan 0.000 0.442 193 K N -0.364 119.726 120.400 -0.517 0.000 3.278 193 K HA -0.148 4.229 4.320 0.095 0.000 0.270 193 K C -0.257 175.744 176.600 -0.999 0.000 0.955 193 K CA 0.743 56.521 56.287 -0.849 0.000 0.723 193 K CB -1.743 30.623 32.500 -0.223 0.000 1.382 193 K HN 0.525 nan 8.250 nan 0.000 0.461 194 S N -0.385 114.675 115.700 -1.066 0.000 2.543 194 S HA 0.290 4.817 4.470 0.095 0.000 0.274 194 S C -1.019 173.322 174.600 -0.431 0.000 1.149 194 S CA -0.885 56.975 58.200 -0.567 0.000 0.866 194 S CB 1.543 64.599 63.200 -0.240 0.000 1.111 194 S HN 0.187 nan 8.310 nan 0.000 0.457 195 D N 2.335 122.641 120.400 -0.157 0.000 2.462 195 D HA 0.323 5.020 4.640 0.095 0.000 0.221 195 D C 1.647 177.970 176.300 0.038 0.000 1.173 195 D CA 0.443 54.421 54.000 -0.037 0.000 0.831 195 D CB 0.685 41.546 40.800 0.101 0.000 1.001 195 D HN 0.562 nan 8.370 nan 0.000 0.499 196 A N 0.643 123.461 122.820 -0.005 0.000 1.948 196 A HA -0.122 4.255 4.320 0.095 0.000 0.220 196 A C 2.158 179.755 177.584 0.022 0.000 1.177 196 A CA 2.018 54.064 52.037 0.015 0.000 0.636 196 A CB -0.646 18.353 19.000 -0.003 0.000 0.815 196 A HN 0.304 nan 8.150 nan 0.000 0.449 197 G N -3.169 105.635 108.800 0.006 0.000 2.985 197 G HA2 0.147 4.164 3.960 0.095 0.000 0.209 197 G HA3 0.147 4.164 3.960 0.095 0.000 0.209 197 G C 0.379 175.276 174.900 -0.005 0.000 1.165 197 G CA 0.248 45.360 45.100 0.019 0.000 0.776 197 G HN 0.470 nan 8.290 nan 0.000 0.541 198 Y N 3.026 123.209 120.300 -0.195 0.000 2.636 198 Y HA 0.362 4.965 4.550 0.090 0.000 0.341 198 Y C 1.433 177.272 175.900 -0.102 0.000 1.169 198 Y CA -0.293 57.594 58.100 -0.355 0.000 1.498 198 Y CB 0.340 38.639 38.460 -0.269 0.000 1.362 198 Y HN 0.073 nan 8.280 nan 0.000 0.494 199 T N -0.373 114.067 114.554 -0.190 0.000 2.964 199 T HA 0.221 4.628 4.350 0.095 0.000 0.250 199 T C 1.829 176.438 174.700 -0.151 0.000 0.982 199 T CA 0.450 62.467 62.100 -0.138 0.000 0.959 199 T CB -0.180 68.677 68.868 -0.019 0.000 1.141 199 T HN 0.397 nan 8.240 nan 0.000 0.494 200 A N 1.476 124.220 122.820 -0.127 0.000 2.125 200 A HA 0.536 4.913 4.320 0.095 0.000 0.219 200 A C 2.311 179.834 177.584 -0.103 0.000 1.156 200 A CA 1.304 53.101 52.037 -0.399 0.000 0.671 200 A CB -0.890 17.372 19.000 -1.231 0.000 0.794 200 A HN 0.807 nan 8.150 nan 0.000 0.459 201 A N -0.671 122.120 122.820 -0.047 0.000 2.345 201 A HA 0.424 4.801 4.320 0.095 0.000 0.225 201 A C 1.112 178.742 177.584 0.078 0.000 1.243 201 A CA 0.517 52.647 52.037 0.156 0.000 0.875 201 A CB -0.494 18.562 19.000 0.094 0.000 0.929 201 A HN 0.389 nan 8.150 nan 0.000 0.502 202 S N -0.066 115.619 115.700 -0.024 0.000 2.544 202 S HA 0.374 4.901 4.470 0.095 0.000 0.290 202 S C 1.479 175.978 174.600 -0.169 0.000 1.276 202 S CA 1.130 59.288 58.200 -0.070 0.000 1.075 202 S CB -0.060 63.100 63.200 -0.067 0.000 0.849 202 S HN 1.833 nan 8.310 nan 0.000 0.494 203 G N 4.032 112.688 108.800 -0.240 0.000 2.217 203 G HA2 -0.288 3.729 3.960 0.095 0.000 0.246 203 G HA3 -0.288 3.729 3.960 0.095 0.000 0.246 203 G C 0.423 174.928 174.900 -0.659 0.000 0.990 203 G CA 0.691 45.525 45.100 -0.442 0.000 0.627 203 G HN 0.749 nan 8.290 nan 0.000 0.522 204 Y N -1.893 118.227 120.300 -0.300 0.000 2.569 204 Y HA 0.505 5.115 4.550 0.101 0.000 0.278 204 Y C 1.274 176.524 175.900 -1.082 0.000 1.130 204 Y CA 0.467 58.189 58.100 -0.629 0.000 1.280 204 Y CB 0.564 38.630 38.460 -0.656 0.000 1.379 204 Y HN 0.128 nan 8.280 nan 0.000 0.508 205 Y N 0.374 120.484 120.300 -0.317 0.000 2.555 205 Y HA 0.372 4.978 4.550 0.094 0.000 0.317 205 Y C -0.020 175.980 175.900 0.166 0.000 0.928 205 Y CA -1.171 56.693 58.100 -0.393 0.000 1.116 205 Y CB 0.621 38.689 38.460 -0.654 0.000 1.169 205 Y HN -0.154 nan 8.280 nan 0.000 0.627 206 S N 0.673 116.530 115.700 0.262 0.000 2.558 206 S HA 0.069 4.596 4.470 0.095 0.000 0.288 206 S C 0.490 175.403 174.600 0.522 0.000 1.318 206 S CA -0.030 58.364 58.200 0.323 0.000 1.056 206 S CB 0.750 64.038 63.200 0.147 0.000 0.853 206 S HN 0.441 nan 8.310 nan 0.000 0.505 207 S N 1.552 117.558 115.700 0.509 0.000 2.457 207 S HA 0.313 4.841 4.470 0.095 0.000 0.289 207 S C 0.902 175.604 174.600 0.170 0.000 1.163 207 S CA -0.607 57.799 58.200 0.344 0.000 1.078 207 S CB 0.568 63.907 63.200 0.232 0.000 0.987 207 S HN 0.742 nan 8.310 nan 0.000 0.482 208 S N 2.646 118.376 115.700 0.049 0.000 2.540 208 S HA 0.360 4.887 4.470 0.095 0.000 0.218 208 S C 0.101 174.656 174.600 -0.075 0.000 0.977 208 S CA 0.083 58.264 58.200 -0.032 0.000 0.918 208 S CB -0.388 62.741 63.200 -0.119 0.000 0.806 208 S HN 1.099 nan 8.310 nan 0.000 0.496 209 S N 0.289 115.954 115.700 -0.059 0.000 2.580 209 S HA 0.601 5.129 4.470 0.095 0.000 0.281 209 S C -0.518 174.031 174.600 -0.085 0.000 1.129 209 S CA -0.752 57.358 58.200 -0.150 0.000 0.862 209 S CB 0.383 63.470 63.200 -0.188 0.000 1.090 209 S HN 0.604 nan 8.310 nan 0.000 0.451 210 F N -1.433 118.458 119.950 -0.097 0.000 2.925 210 F HA 0.489 5.072 4.527 0.093 0.000 0.359 210 F C 1.002 176.681 175.800 -0.202 0.000 1.038 210 F CA -0.617 57.276 58.000 -0.178 0.000 1.130 210 F CB -0.328 38.517 39.000 -0.258 0.000 1.093 210 F HN 0.564 nan 8.300 nan 0.000 0.561 211 Y N 2.873 122.967 120.300 -0.343 0.000 2.352 211 Y HA -0.136 4.471 4.550 0.096 0.000 0.292 211 Y C 2.331 178.290 175.900 0.099 0.000 1.136 211 Y CA 1.503 59.561 58.100 -0.070 0.000 1.227 211 Y CB -0.238 38.227 38.460 0.009 0.000 0.991 211 Y HN 0.249 nan 8.280 nan 0.000 0.545 212 D N -0.134 120.283 120.400 0.028 0.000 2.097 212 D HA -0.180 4.517 4.640 0.095 0.000 0.197 212 D C 1.048 177.370 176.300 0.037 0.000 0.984 212 D CA 1.647 55.517 54.000 -0.215 0.000 0.826 212 D CB -0.747 39.811 40.800 -0.404 0.000 0.973 212 D HN 0.332 nan 8.370 nan 0.000 0.460 213 D N 0.613 121.050 120.400 0.062 0.000 2.144 213 D HA -0.056 4.641 4.640 0.095 0.000 0.199 213 D C 2.312 178.759 176.300 0.245 0.000 0.984 213 D CA 0.661 54.768 54.000 0.178 0.000 0.834 213 D CB -0.152 40.724 40.800 0.126 0.000 0.955 213 D HN 0.172 nan 8.370 nan 0.000 0.465 214 L N 0.335 121.621 121.223 0.105 0.000 2.046 214 L HA -0.174 4.223 4.340 0.095 0.000 0.208 214 L C 2.388 179.447 176.870 0.316 0.000 1.077 214 L CA 0.924 55.771 54.840 0.012 0.000 0.747 214 L CB -0.311 41.292 42.059 -0.761 0.000 0.896 214 L HN 0.028 nan 8.230 nan 0.000 0.432 215 S N -1.091 114.875 115.700 0.444 0.000 2.356 215 S HA -0.220 4.308 4.470 0.095 0.000 0.223 215 S C 1.567 176.442 174.600 0.458 0.000 1.032 215 S CA 1.200 59.791 58.200 0.652 0.000 1.005 215 S CB -0.399 63.339 63.200 0.897 0.000 0.867 215 S HN 0.548 nan 8.310 nan 0.000 0.449 216 W N 2.338 123.751 121.300 0.188 0.000 2.333 216 W HA -0.239 4.475 4.660 0.090 0.000 0.316 216 W C 2.385 179.012 176.519 0.180 0.000 1.215 216 W CA 1.372 58.797 57.345 0.133 0.000 1.278 216 W CB -0.508 29.034 29.460 0.136 0.000 1.154 216 W HN 0.348 nan 8.180 nan 0.000 0.486 217 A N 1.053 124.039 122.820 0.276 0.000 1.877 217 A HA -0.126 4.251 4.320 0.095 0.000 0.216 217 A C 2.135 179.627 177.584 -0.153 0.000 1.186 217 A CA 2.761 54.837 52.037 0.065 0.000 0.620 217 A CB -1.415 17.732 19.000 0.246 0.000 0.822 217 A HN 0.381 nan 8.150 nan 0.000 0.443 218 A N -0.665 122.113 122.820 -0.069 0.000 1.902 218 A HA -0.016 4.361 4.320 0.095 0.000 0.217 218 A C 2.247 179.743 177.584 -0.147 0.000 1.181 218 A CA 1.809 53.725 52.037 -0.202 0.000 0.623 218 A CB -0.965 18.156 19.000 0.201 0.000 0.818 218 A HN 0.391 nan 8.150 nan 0.000 0.443 219 V N -2.130 117.701 119.914 -0.139 0.000 2.295 219 V HA -0.298 3.879 4.120 0.095 0.000 0.246 219 V C 2.263 178.074 176.094 -0.471 0.000 1.049 219 V CA 1.987 64.106 62.300 -0.302 0.000 1.024 219 V CB -0.939 30.615 31.823 -0.448 0.000 0.648 219 V HN 0.812 nan 8.190 nan 0.000 0.447 220 W N -0.575 120.464 121.300 -0.434 0.000 2.402 220 W HA -0.037 4.685 4.660 0.103 0.000 0.286 220 W C 2.280 178.544 176.519 -0.425 0.000 1.221 220 W CA 0.595 57.641 57.345 -0.498 0.000 1.257 220 W CB -0.300 28.780 29.460 -0.632 0.000 1.120 220 W HN 0.158 nan 8.180 nan 0.000 0.551 221 L N -1.016 120.022 121.223 -0.307 0.000 2.141 221 L HA -0.247 4.150 4.340 0.095 0.000 0.209 221 L C 2.363 179.019 176.870 -0.356 0.000 1.094 221 L CA 1.123 55.642 54.840 -0.535 0.000 0.763 221 L CB -0.818 40.525 42.059 -1.194 0.000 0.908 221 L HN 0.072 nan 8.230 nan 0.000 0.437 222 Y N 0.382 120.503 120.300 -0.299 0.000 2.145 222 Y HA -0.253 4.354 4.550 0.094 0.000 0.286 222 Y C 2.172 177.982 175.900 -0.149 0.000 1.145 222 Y CA 1.450 59.477 58.100 -0.121 0.000 1.148 222 Y CB -0.208 38.185 38.460 -0.112 0.000 0.981 222 Y HN -0.021 nan 8.280 nan 0.000 0.507 223 L N 0.363 121.360 121.223 -0.376 0.000 2.131 223 L HA -0.104 4.293 4.340 0.095 0.000 0.210 223 L C 2.637 179.345 176.870 -0.270 0.000 1.092 223 L CA 1.857 56.436 54.840 -0.435 0.000 0.759 223 L CB -1.502 40.264 42.059 -0.490 0.000 0.903 223 L HN 0.373 nan 8.230 nan 0.000 0.435 224 A N -1.391 121.313 122.820 -0.193 0.000 1.975 224 A HA -0.079 4.298 4.320 0.095 0.000 0.215 224 A C 2.279 179.787 177.584 -0.127 0.000 1.170 224 A CA 1.646 53.606 52.037 -0.128 0.000 0.656 224 A CB -0.586 18.340 19.000 -0.124 0.000 0.821 224 A HN 0.472 nan 8.150 nan 0.000 0.449 225 T N -5.205 109.261 114.554 -0.147 0.000 2.990 225 T HA 0.098 4.505 4.350 0.095 0.000 0.249 225 T C 0.665 175.318 174.700 -0.078 0.000 1.039 225 T CA 0.597 62.653 62.100 -0.072 0.000 1.036 225 T CB -0.150 68.727 68.868 0.015 0.000 0.994 225 T HN 0.404 nan 8.240 nan 0.000 0.489 226 N N 1.731 120.303 118.700 -0.214 0.000 2.782 226 N HA -0.133 4.664 4.740 0.095 0.000 0.251 226 N C -0.941 174.556 175.510 -0.021 0.000 1.101 226 N CA 1.223 54.111 53.050 -0.269 0.000 0.764 226 N CB -1.409 36.990 38.487 -0.147 0.000 1.122 226 N HN 0.621 nan 8.380 nan 0.000 0.561 227 D N 0.766 121.246 120.400 0.133 0.000 2.396 227 D HA 0.280 4.977 4.640 0.095 0.000 0.225 227 D C 1.117 177.633 176.300 0.359 0.000 1.121 227 D CA -0.129 54.003 54.000 0.219 0.000 0.853 227 D CB 0.689 41.615 40.800 0.209 0.000 1.043 227 D HN 0.185 nan 8.370 nan 0.000 0.500 228 S N 1.776 117.642 115.700 0.276 0.000 2.493 228 S HA -0.174 4.353 4.470 0.095 0.000 0.243 228 S C 1.724 176.293 174.600 -0.052 0.000 0.991 228 S CA 0.857 59.117 58.200 0.099 0.000 0.957 228 S CB -0.363 62.857 63.200 0.033 0.000 0.756 228 S HN 0.494 nan 8.310 nan 0.000 0.521 229 T N 1.428 115.933 114.554 -0.081 0.000 2.699 229 T HA -0.131 4.277 4.350 0.095 0.000 0.268 229 T C 1.226 175.759 174.700 -0.278 0.000 1.036 229 T CA 1.820 63.782 62.100 -0.230 0.000 1.147 229 T CB -0.534 68.102 68.868 -0.386 0.000 0.862 229 T HN 0.599 nan 8.240 nan 0.000 0.446 230 Y N 0.438 120.724 120.300 -0.024 0.000 2.314 230 Y HA 0.116 4.724 4.550 0.097 0.000 0.293 230 Y C 2.068 177.879 175.900 -0.150 0.000 1.129 230 Y CA -0.028 58.025 58.100 -0.078 0.000 1.201 230 Y CB -0.580 37.829 38.460 -0.086 0.000 0.999 230 Y HN 0.114 nan 8.280 nan 0.000 0.541 231 L N 0.270 121.386 121.223 -0.179 0.000 2.056 231 L HA -0.170 4.227 4.340 0.095 0.000 0.207 231 L C 1.615 178.347 176.870 -0.229 0.000 1.078 231 L CA 1.884 56.480 54.840 -0.406 0.000 0.749 231 L CB -0.776 40.755 42.059 -0.879 0.000 0.901 231 L HN 0.040 nan 8.230 nan 0.000 0.433 232 D N -0.182 120.105 120.400 -0.188 0.000 2.117 232 D HA -0.186 4.511 4.640 0.095 0.000 0.197 232 D C 2.154 178.357 176.300 -0.161 0.000 0.987 232 D CA 1.321 55.230 54.000 -0.152 0.000 0.829 232 D CB -0.065 40.656 40.800 -0.132 0.000 0.961 232 D HN 0.387 nan 8.370 nan 0.000 0.460 233 K N 0.564 120.890 120.400 -0.124 0.000 2.057 233 K HA -0.054 4.323 4.320 0.095 0.000 0.207 233 K C 2.166 178.605 176.600 -0.268 0.000 1.049 233 K CA 1.105 57.293 56.287 -0.165 0.000 0.931 233 K CB -0.140 32.454 32.500 0.157 0.000 0.714 233 K HN 0.036 nan 8.250 nan 0.000 0.440 234 A N 1.957 124.786 122.820 0.014 0.000 1.908 234 A HA -0.228 4.149 4.320 0.095 0.000 0.218 234 A C 1.895 179.500 177.584 0.035 0.000 1.181 234 A CA 1.648 53.784 52.037 0.165 0.000 0.627 234 A CB -0.394 18.649 19.000 0.071 0.000 0.818 234 A HN 0.332 nan 8.150 nan 0.000 0.445 235 E N 0.090 120.229 120.200 -0.102 0.000 2.208 235 E HA -0.116 4.291 4.350 0.095 0.000 0.193 235 E C 2.259 178.750 176.600 -0.183 0.000 0.988 235 E CA 1.095 57.436 56.400 -0.099 0.000 0.828 235 E CB -0.204 29.472 29.700 -0.039 0.000 0.763 235 E HN 0.800 nan 8.360 nan 0.000 0.478 236 S N 0.307 115.834 115.700 -0.288 0.000 2.423 236 S HA -0.164 4.364 4.470 0.095 0.000 0.231 236 S C 1.755 176.179 174.600 -0.294 0.000 1.014 236 S CA 0.717 58.722 58.200 -0.325 0.000 0.965 236 S CB -0.544 62.422 63.200 -0.390 0.000 0.785 236 S HN 0.363 nan 8.310 nan 0.000 0.495 237 Y N 1.206 121.488 120.300 -0.031 0.000 2.519 237 Y HA 0.176 4.784 4.550 0.097 0.000 0.287 237 Y C 2.495 178.138 175.900 -0.429 0.000 1.128 237 Y CA 0.055 58.142 58.100 -0.022 0.000 1.282 237 Y CB -0.347 38.319 38.460 0.343 0.000 1.027 237 Y HN 0.106 nan 8.280 nan 0.000 0.551 238 V N 1.214 120.760 119.914 -0.614 0.000 2.317 238 V HA -0.275 3.903 4.120 0.095 0.000 0.251 238 V C -0.500 175.168 176.094 -0.710 0.000 1.065 238 V CA 1.996 63.539 62.300 -1.261 0.000 1.049 238 V CB -1.709 29.567 31.823 -0.913 0.000 0.651 238 V HN 0.311 nan 8.190 nan 0.000 0.450 239 P HA -0.074 nan 4.420 nan 0.000 0.222 239 P C 1.134 178.271 177.300 -0.272 0.000 1.147 239 P CA 1.156 64.091 63.100 -0.275 0.000 0.790 239 P CB -0.105 31.466 31.700 -0.215 0.000 0.780 240 N N -2.431 116.045 118.700 -0.373 0.000 2.336 240 N HA -0.015 4.782 4.740 0.095 0.000 0.189 240 N C 0.156 175.536 175.510 -0.216 0.000 1.113 240 N CA 0.239 52.993 53.050 -0.493 0.000 0.858 240 N CB -0.037 37.681 38.487 -1.282 0.000 0.970 240 N HN 0.149 nan 8.380 nan 0.000 0.471 241 W N 1.812 122.957 121.300 -0.257 0.000 2.112 241 W HA 0.317 5.037 4.660 0.099 0.000 0.349 241 W C 1.338 177.681 176.519 -0.293 0.000 1.289 241 W CA -1.202 55.985 57.345 -0.264 0.000 1.256 241 W CB -0.311 28.969 29.460 -0.301 0.000 1.148 241 W HN -0.103 nan 8.180 nan 0.000 0.590 242 G N 2.710 111.432 108.800 -0.129 0.000 2.414 242 G HA2 0.171 4.189 3.960 0.095 0.000 0.236 242 G HA3 0.171 4.189 3.960 0.095 0.000 0.236 242 G C 0.008 174.831 174.900 -0.128 0.000 1.293 242 G CA -0.396 44.607 45.100 -0.162 0.000 0.869 242 G HN 0.155 nan 8.290 nan 0.000 0.556 243 K N 0.649 121.000 120.400 -0.082 0.000 2.210 243 K HA 0.398 4.775 4.320 0.095 0.000 0.236 243 K C -0.270 176.308 176.600 -0.038 0.000 1.016 243 K CA -0.943 55.324 56.287 -0.034 0.000 0.913 243 K CB 1.690 34.174 32.500 -0.026 0.000 1.141 243 K HN 0.509 nan 8.250 nan 0.000 0.462 244 E N 1.678 121.882 120.200 0.007 0.000 2.283 244 E HA 0.011 4.418 4.350 0.095 0.000 0.278 244 E C -0.450 176.133 176.600 -0.028 0.000 1.027 244 E CA -0.098 56.284 56.400 -0.030 0.000 0.843 244 E CB 0.774 30.493 29.700 0.032 0.000 1.062 244 E HN 0.261 nan 8.360 nan 0.000 0.401 245 Q N 2.935 122.699 119.800 -0.059 0.000 2.333 245 Q HA -0.146 4.251 4.340 0.095 0.000 0.299 245 Q C -0.139 175.853 176.000 -0.014 0.000 1.067 245 Q CA 0.694 56.471 55.803 -0.043 0.000 0.943 245 Q CB 0.385 29.090 28.738 -0.055 0.000 1.233 245 Q HN 0.668 nan 8.270 nan 0.000 0.401 246 Q N -0.790 119.005 119.800 -0.009 0.000 2.963 246 Q HA -0.216 4.181 4.340 0.095 0.000 0.171 246 Q C 0.319 176.327 176.000 0.013 0.000 1.703 246 Q CA 2.146 57.952 55.803 0.004 0.000 1.023 246 Q CB -1.844 26.901 28.738 0.013 0.000 0.933 246 Q HN 0.938 nan 8.270 nan 0.000 0.964 247 T N -3.271 111.297 114.554 0.024 0.000 2.876 247 T HA 0.627 5.034 4.350 0.095 0.000 0.277 247 T C 0.393 175.105 174.700 0.020 0.000 0.997 247 T CA 0.445 62.564 62.100 0.032 0.000 0.966 247 T CB 1.584 70.492 68.868 0.066 0.000 1.312 247 T HN 0.235 nan 8.240 nan 0.000 0.598 248 D N -0.259 120.153 120.400 0.020 0.000 2.720 248 D HA 0.553 5.250 4.640 0.095 0.000 0.285 248 D C 0.090 176.399 176.300 0.015 0.000 1.359 248 D CA -0.522 53.481 54.000 0.005 0.000 0.818 248 D CB -0.420 40.374 40.800 -0.009 0.000 1.108 248 D HN 0.657 nan 8.370 nan 0.000 0.474 249 I N 0.298 120.897 120.570 0.049 0.000 2.498 249 I HA 0.398 4.625 4.170 0.095 0.000 0.301 249 I C 0.481 176.665 176.117 0.113 0.000 0.984 249 I CA -0.967 60.379 61.300 0.077 0.000 1.204 249 I CB 2.304 40.370 38.000 0.110 0.000 1.362 249 I HN 0.117 nan 8.210 nan 0.000 0.471 250 I N 4.250 124.899 120.570 0.132 0.000 2.775 250 I HA -0.013 4.214 4.170 0.095 0.000 0.290 250 I C 0.982 177.247 176.117 0.247 0.000 1.203 250 I CA 0.104 61.509 61.300 0.175 0.000 1.433 250 I CB 0.494 38.660 38.000 0.277 0.000 1.354 250 I HN 0.683 nan 8.210 nan 0.000 0.579 251 A N 6.652 129.554 122.820 0.135 0.000 2.587 251 A HA 0.005 4.382 4.320 0.095 0.000 0.235 251 A C 0.091 177.922 177.584 0.412 0.000 1.044 251 A CA 0.564 52.695 52.037 0.158 0.000 0.754 251 A CB -0.283 18.728 19.000 0.018 0.000 0.968 251 A HN 0.874 nan 8.150 nan 0.000 0.509 252 Y N -0.963 119.464 120.300 0.211 0.000 2.729 252 Y HA 0.391 4.998 4.550 0.095 0.000 0.266 252 Y C 0.805 176.725 175.900 0.033 0.000 1.064 252 Y CA -0.305 57.965 58.100 0.284 0.000 1.251 252 Y CB 0.084 38.647 38.460 0.172 0.000 1.379 252 Y HN 0.507 nan 8.280 nan 0.000 0.569 253 K N 0.533 120.571 120.400 -0.603 0.000 2.437 253 K HA 0.077 4.454 4.320 0.095 0.000 0.198 253 K C 0.044 176.544 176.600 -0.166 0.000 1.024 253 K CA -0.026 55.684 56.287 -0.962 0.000 1.148 253 K CB 0.393 32.212 32.500 -1.135 0.000 0.860 253 K HN 0.462 nan 8.250 nan 0.000 0.515 254 W N 0.013 121.243 121.300 -0.117 0.000 2.797 254 W HA 0.466 5.181 4.660 0.092 0.000 0.613 254 W C -0.438 175.977 176.519 -0.174 0.000 1.441 254 W CA -0.358 56.939 57.345 -0.080 0.000 0.909 254 W CB 1.378 30.813 29.460 -0.041 0.000 3.233 254 W HN -0.038 nan 8.180 nan 0.000 0.725 255 G N 0.693 109.296 108.800 -0.329 0.000 2.660 255 G HA2 0.310 4.327 3.960 0.095 0.000 0.290 255 G HA3 0.310 4.327 3.960 0.095 0.000 0.290 255 G C -1.756 172.984 174.900 -0.267 0.000 1.432 255 G CA -0.797 43.887 45.100 -0.693 0.000 0.807 255 G HN 0.211 nan 8.290 nan 0.000 0.485 256 Q N -0.738 118.934 119.800 -0.213 0.000 2.263 256 Q HA 0.432 4.829 4.340 0.095 0.000 0.289 256 Q C 0.227 176.305 176.000 0.130 0.000 1.061 256 Q CA 0.457 56.326 55.803 0.110 0.000 0.927 256 Q CB -0.153 28.680 28.738 0.158 0.000 1.154 256 Q HN 1.211 nan 8.270 nan 0.000 0.378 257 C N 3.004 122.317 119.300 0.021 0.000 3.295 257 C HA 0.468 4.985 4.460 0.095 0.000 0.341 257 C C 1.004 175.518 174.990 -0.793 0.000 1.418 257 C CA -0.477 58.368 59.018 -0.288 0.000 1.240 257 C CB -0.197 27.477 27.740 -0.111 0.000 1.562 257 C HN 1.138 nan 8.230 nan 0.000 0.457 258 W N 0.675 121.375 121.300 -0.999 0.000 2.341 258 W HA -0.054 4.672 4.660 0.111 0.000 0.283 258 W C 0.823 177.230 176.519 -0.187 0.000 1.215 258 W CA 2.200 59.103 57.345 -0.737 0.000 1.211 258 W CB -0.932 28.352 29.460 -0.292 0.000 1.131 258 W HN 0.864 nan 8.180 nan 0.000 0.552 259 D N 0.153 119.964 120.400 -0.983 0.000 2.366 259 D HA -0.046 4.651 4.640 0.095 0.000 0.205 259 D C -0.508 175.565 176.300 -0.379 0.000 1.022 259 D CA 0.610 54.141 54.000 -0.782 0.000 0.868 259 D CB -0.006 39.959 40.800 -1.392 0.000 0.953 259 D HN -0.107 nan 8.370 nan 0.000 0.514 260 D N -0.127 120.093 120.400 -0.299 0.000 2.386 260 D HA 0.075 4.772 4.640 0.095 0.000 0.247 260 D C 0.251 176.476 176.300 -0.126 0.000 1.336 260 D CA -0.415 53.501 54.000 -0.139 0.000 0.976 260 D CB 1.576 42.392 40.800 0.027 0.000 1.257 260 D HN -0.057 nan 8.370 nan 0.000 0.570 261 V N 2.511 122.277 119.914 -0.245 0.000 3.271 261 V HA 0.189 4.366 4.120 0.095 0.000 0.327 261 V C 1.675 177.491 176.094 -0.463 0.000 1.389 261 V CA 0.048 62.096 62.300 -0.421 0.000 1.156 261 V CB -0.413 30.946 31.823 -0.773 0.000 1.103 261 V HN 0.624 nan 8.190 nan 0.000 0.453 262 H N -0.637 118.039 119.070 -0.658 0.000 2.524 262 H HA -0.083 4.530 4.556 0.095 0.000 0.282 262 H C 1.628 176.526 175.328 -0.716 0.000 1.016 262 H CA 1.673 57.086 56.048 -1.058 0.000 1.270 262 H CB -0.436 28.256 29.762 -1.782 0.000 1.394 262 H HN 0.505 nan 8.280 nan 0.000 0.568 263 Y N 1.546 121.406 120.300 -0.734 0.000 2.163 263 Y HA -0.028 4.579 4.550 0.094 0.000 0.288 263 Y C 3.131 178.932 175.900 -0.165 0.000 1.136 263 Y CA 1.186 59.015 58.100 -0.452 0.000 1.147 263 Y CB -0.442 37.805 38.460 -0.356 0.000 0.987 263 Y HN 0.338 nan 8.280 nan 0.000 0.509 264 G N -0.391 108.403 108.800 -0.011 0.000 2.402 264 G HA2 -0.210 3.807 3.960 0.095 0.000 0.216 264 G HA3 -0.210 3.807 3.960 0.095 0.000 0.216 264 G C 1.884 176.853 174.900 0.114 0.000 1.162 264 G CA 0.899 46.050 45.100 0.086 0.000 0.777 264 G HN 0.460 nan 8.290 nan 0.000 0.539 265 A N 1.770 124.657 122.820 0.112 0.000 1.877 265 A HA -0.089 4.288 4.320 0.095 0.000 0.216 265 A C 2.249 179.899 177.584 0.111 0.000 1.186 265 A CA 2.069 54.231 52.037 0.209 0.000 0.620 265 A CB -0.520 18.629 19.000 0.248 0.000 0.822 265 A HN 0.610 nan 8.150 nan 0.000 0.443 266 E N -0.162 120.127 120.200 0.148 0.000 2.208 266 E HA -0.123 4.284 4.350 0.095 0.000 0.193 266 E C 2.004 178.661 176.600 0.095 0.000 0.988 266 E CA 1.035 57.562 56.400 0.211 0.000 0.828 266 E CB -0.445 29.509 29.700 0.423 0.000 0.763 266 E HN 0.591 nan 8.360 nan 0.000 0.478 267 L N 0.724 122.002 121.223 0.090 0.000 2.027 267 L HA -0.126 4.271 4.340 0.095 0.000 0.206 267 L C 2.528 179.407 176.870 0.014 0.000 1.074 267 L CA 1.053 55.962 54.840 0.114 0.000 0.745 267 L CB -0.109 42.096 42.059 0.243 0.000 0.898 267 L HN 0.203 nan 8.230 nan 0.000 0.433 268 L N -0.556 120.633 121.223 -0.056 0.000 2.083 268 L HA -0.252 4.146 4.340 0.095 0.000 0.209 268 L C 2.512 179.236 176.870 -0.244 0.000 1.083 268 L CA 1.096 55.817 54.840 -0.199 0.000 0.752 268 L CB -0.422 41.393 42.059 -0.406 0.000 0.899 268 L HN 0.328 nan 8.230 nan 0.000 0.433 269 L N -0.571 120.489 121.223 -0.272 0.000 2.131 269 L HA -0.187 4.210 4.340 0.095 0.000 0.210 269 L C 2.826 179.558 176.870 -0.229 0.000 1.092 269 L CA 0.975 55.563 54.840 -0.421 0.000 0.759 269 L CB -0.629 40.849 42.059 -0.969 0.000 0.903 269 L HN 0.250 nan 8.230 nan 0.000 0.435 270 A N 0.057 122.817 122.820 -0.099 0.000 1.873 270 A HA -0.187 4.191 4.320 0.095 0.000 0.215 270 A C 2.326 179.704 177.584 -0.343 0.000 1.186 270 A CA 1.411 53.463 52.037 0.026 0.000 0.616 270 A CB -0.265 18.802 19.000 0.111 0.000 0.823 270 A HN 0.277 nan 8.150 nan 0.000 0.442 271 K N -0.478 119.518 120.400 -0.673 0.000 2.097 271 K HA 0.013 4.390 4.320 0.095 0.000 0.205 271 K C 1.729 178.211 176.600 -0.196 0.000 1.050 271 K CA 1.180 56.955 56.287 -0.853 0.000 0.938 271 K CB -0.301 31.752 32.500 -0.746 0.000 0.718 271 K HN 0.465 nan 8.250 nan 0.000 0.442 272 L N 0.357 121.506 121.223 -0.122 0.000 2.341 272 L HA -0.064 4.333 4.340 0.095 0.000 0.214 272 L C 2.310 179.210 176.870 0.050 0.000 1.115 272 L CA 1.172 56.009 54.840 -0.004 0.000 0.820 272 L CB -0.170 41.866 42.059 -0.038 0.000 0.944 272 L HN 0.323 nan 8.230 nan 0.000 0.452 273 T N -6.233 108.365 114.554 0.073 0.000 2.954 273 T HA 0.088 4.495 4.350 0.095 0.000 0.252 273 T C 1.025 175.849 174.700 0.206 0.000 0.983 273 T CA 0.336 62.514 62.100 0.129 0.000 0.941 273 T CB 0.099 69.061 68.868 0.155 0.000 1.141 273 T HN 0.153 nan 8.240 nan 0.000 0.500 274 N N 1.049 119.923 118.700 0.291 0.000 2.741 274 N HA -0.163 4.634 4.740 0.095 0.000 0.251 274 N C -0.764 174.924 175.510 0.295 0.000 1.112 274 N CA 0.682 53.975 53.050 0.404 0.000 0.750 274 N CB -1.532 37.165 38.487 0.351 0.000 1.119 274 N HN 0.657 nan 8.380 nan 0.000 0.561 275 K N 0.240 120.801 120.400 0.267 0.000 2.298 275 K HA 0.030 4.407 4.320 0.095 0.000 0.280 275 K C 1.151 177.805 176.600 0.089 0.000 1.032 275 K CA -0.301 56.060 56.287 0.124 0.000 0.958 275 K CB 0.889 33.400 32.500 0.018 0.000 0.978 275 K HN 0.157 nan 8.250 nan 0.000 0.472 276 Q N 2.428 122.248 119.800 0.033 0.000 2.135 276 Q HA -0.193 4.204 4.340 0.095 0.000 0.204 276 Q C 1.642 177.629 176.000 -0.021 0.000 0.981 276 Q CA 1.454 57.282 55.803 0.042 0.000 0.856 276 Q CB -0.154 28.595 28.738 0.018 0.000 0.902 276 Q HN 0.666 nan 8.270 nan 0.000 0.425 277 L N -0.596 120.511 121.223 -0.193 0.000 2.013 277 L HA -0.217 4.180 4.340 0.095 0.000 0.212 277 L C 1.664 178.430 176.870 -0.173 0.000 1.073 277 L CA 1.945 56.620 54.840 -0.275 0.000 0.753 277 L CB -0.799 40.941 42.059 -0.531 0.000 0.890 277 L HN 0.313 nan 8.230 nan 0.000 0.432 278 Y N -0.053 120.305 120.300 0.097 0.000 2.263 278 Y HA -0.102 4.506 4.550 0.096 0.000 0.292 278 Y C 2.482 178.477 175.900 0.159 0.000 1.130 278 Y CA 1.064 59.242 58.100 0.130 0.000 1.179 278 Y CB -0.818 37.710 38.460 0.113 0.000 0.998 278 Y HN 0.192 nan 8.280 nan 0.000 0.532 279 K N 0.104 120.704 120.400 0.334 0.000 2.026 279 K HA -0.173 4.205 4.320 0.095 0.000 0.208 279 K C 1.549 178.293 176.600 0.239 0.000 1.048 279 K CA 1.707 58.223 56.287 0.383 0.000 0.929 279 K CB -0.295 32.468 32.500 0.439 0.000 0.713 279 K HN 0.243 nan 8.250 nan 0.000 0.439 280 D N 0.523 121.021 120.400 0.162 0.000 2.149 280 D HA -0.106 4.591 4.640 0.095 0.000 0.198 280 D C 2.013 178.368 176.300 0.092 0.000 0.990 280 D CA 1.083 55.145 54.000 0.103 0.000 0.839 280 D CB -0.203 40.627 40.800 0.051 0.000 0.948 280 D HN 0.020 nan 8.370 nan 0.000 0.460 281 S N 0.464 116.242 115.700 0.130 0.000 2.343 281 S HA -0.136 4.391 4.470 0.095 0.000 0.219 281 S C 1.983 176.678 174.600 0.158 0.000 1.033 281 S CA 0.433 58.736 58.200 0.173 0.000 1.014 281 S CB -0.224 63.144 63.200 0.280 0.000 0.915 281 S HN 0.176 nan 8.310 nan 0.000 0.435 282 I N 2.063 122.695 120.570 0.103 0.000 2.315 282 I HA -0.131 4.096 4.170 0.095 0.000 0.248 282 I C 2.023 178.073 176.117 -0.111 0.000 1.117 282 I CA 1.476 62.757 61.300 -0.032 0.000 1.404 282 I CB -0.360 37.507 38.000 -0.221 0.000 1.071 282 I HN 0.261 nan 8.210 nan 0.000 0.419 283 E N -0.354 119.811 120.200 -0.060 0.000 2.204 283 E HA -0.231 4.176 4.350 0.095 0.000 0.194 283 E C 2.183 178.852 176.600 0.116 0.000 0.989 283 E CA 1.142 57.584 56.400 0.070 0.000 0.824 283 E CB -0.198 29.629 29.700 0.212 0.000 0.756 283 E HN 0.540 nan 8.360 nan 0.000 0.477 284 M N 1.115 120.757 119.600 0.070 0.000 2.132 284 M HA -0.181 4.356 4.480 0.095 0.000 0.263 284 M C 2.195 178.613 176.300 0.198 0.000 1.065 284 M CA 1.285 56.583 55.300 -0.003 0.000 1.122 284 M CB -0.065 32.401 32.600 -0.222 0.000 1.365 284 M HN 0.060 nan 8.290 nan 0.000 0.411 285 N N 0.380 119.246 118.700 0.276 0.000 2.080 285 N HA -0.163 4.635 4.740 0.095 0.000 0.189 285 N C 1.706 177.407 175.510 0.318 0.000 1.036 285 N CA 1.394 54.680 53.050 0.393 0.000 0.846 285 N CB -0.142 38.538 38.487 0.321 0.000 1.015 285 N HN 0.372 nan 8.380 nan 0.000 0.423 286 L N 0.705 121.956 121.223 0.047 0.000 2.131 286 L HA -0.147 4.250 4.340 0.095 0.000 0.210 286 L C 1.860 178.781 176.870 0.085 0.000 1.092 286 L CA 0.976 55.724 54.840 -0.152 0.000 0.759 286 L CB -0.469 41.178 42.059 -0.687 0.000 0.903 286 L HN 0.146 nan 8.230 nan 0.000 0.435 287 D N -0.159 120.385 120.400 0.239 0.000 2.117 287 D HA -0.205 4.492 4.640 0.095 0.000 0.198 287 D C 1.910 178.360 176.300 0.250 0.000 0.982 287 D CA 1.091 55.251 54.000 0.265 0.000 0.828 287 D CB -0.216 40.719 40.800 0.225 0.000 0.967 287 D HN 0.233 nan 8.370 nan 0.000 0.464 288 F N -0.512 119.558 119.950 0.199 0.000 2.202 288 F HA -0.186 4.397 4.527 0.094 0.000 0.301 288 F C 1.576 177.417 175.800 0.068 0.000 1.082 288 F CA 1.218 59.328 58.000 0.183 0.000 1.313 288 F CB -0.128 39.063 39.000 0.317 0.000 1.024 288 F HN -0.049 nan 8.300 nan 0.000 0.495 289 W N 0.557 121.826 121.300 -0.051 0.000 3.139 289 W HA 0.062 4.779 4.660 0.095 0.000 0.260 289 W C 2.174 178.550 176.519 -0.238 0.000 1.312 289 W CA 1.287 58.498 57.345 -0.224 0.000 1.606 289 W CB -0.249 29.011 29.460 -0.333 0.000 1.118 289 W HN 0.106 nan 8.180 nan 0.000 0.675 290 T N -5.834 108.727 114.554 0.012 0.000 3.463 290 T HA 0.011 4.418 4.350 0.095 0.000 0.203 290 T C 1.714 176.429 174.700 0.025 0.000 0.955 290 T CA 1.229 63.351 62.100 0.036 0.000 1.230 290 T CB -0.529 68.364 68.868 0.042 0.000 1.392 290 T HN -0.083 nan 8.240 nan 0.000 0.361 291 T N -0.606 113.974 114.554 0.044 0.000 3.067 291 T HA 0.500 4.907 4.350 0.095 0.000 0.257 291 T C 1.276 175.977 174.700 0.001 0.000 1.105 291 T CA 0.578 62.684 62.100 0.010 0.000 1.104 291 T CB -0.750 68.137 68.868 0.032 0.000 0.925 291 T HN 1.573 nan 8.240 nan 0.000 0.498 292 G N 0.503 109.315 108.800 0.021 0.000 2.690 292 G HA2 0.243 4.261 3.960 0.095 0.000 0.686 292 G HA3 0.243 4.261 3.960 0.095 0.000 0.686 292 G C -0.776 174.195 174.900 0.118 0.000 1.277 292 G CA -0.527 44.594 45.100 0.034 0.000 0.799 292 G HN 1.541 nan 8.290 nan 0.000 0.613 293 V N -2.697 117.335 119.914 0.195 0.000 3.077 293 V HA 0.786 4.963 4.120 0.095 0.000 0.299 293 V C 0.578 176.779 176.094 0.178 0.000 1.276 293 V CA -0.269 62.128 62.300 0.161 0.000 0.993 293 V CB 1.370 33.268 31.823 0.125 0.000 1.076 293 V HN 1.808 nan 8.190 nan 0.000 0.434 294 N N 1.740 120.503 118.700 0.106 0.000 2.727 294 N HA -0.212 4.585 4.740 0.095 0.000 0.249 294 N C 1.099 176.686 175.510 0.129 0.000 1.048 294 N CA 0.816 53.929 53.050 0.105 0.000 0.714 294 N CB -0.896 37.660 38.487 0.115 0.000 0.959 294 N HN 2.144 nan 8.380 nan 0.000 0.544 295 G N -1.187 107.679 108.800 0.109 0.000 2.168 295 G HA2 -0.339 3.679 3.960 0.095 0.000 0.257 295 G HA3 -0.339 3.679 3.960 0.095 0.000 0.257 295 G C 0.069 175.045 174.900 0.126 0.000 0.997 295 G CA 1.008 46.166 45.100 0.096 0.000 0.708 295 G HN 0.486 nan 8.290 nan 0.000 0.520 296 T N -0.995 113.676 114.554 0.196 0.000 2.893 296 T HA 0.779 5.186 4.350 0.095 0.000 0.291 296 T C -0.227 174.599 174.700 0.209 0.000 1.028 296 T CA -0.557 61.702 62.100 0.265 0.000 0.995 296 T CB 2.823 71.944 68.868 0.422 0.000 1.051 296 T HN 0.619 nan 8.240 nan 0.000 0.470 297 R N 0.951 121.423 120.500 -0.047 0.000 2.643 297 R HA 0.611 5.008 4.340 0.095 0.000 0.269 297 R C -1.159 174.573 176.300 -0.947 0.000 1.037 297 R CA -0.658 55.094 56.100 -0.580 0.000 0.894 297 R CB 1.984 32.135 30.300 -0.248 0.000 1.238 297 R HN 0.543 nan 8.270 nan 0.000 0.459 298 V N 2.709 121.664 119.914 -1.597 0.000 2.999 298 V HA 0.151 4.328 4.120 0.095 0.000 0.307 298 V C -0.123 175.719 176.094 -0.420 0.000 1.084 298 V CA 0.429 62.082 62.300 -1.078 0.000 1.155 298 V CB 1.487 32.463 31.823 -1.413 0.000 0.975 298 V HN 0.913 nan 8.190 nan 0.000 0.490 299 S N 4.739 120.294 115.700 -0.242 0.000 2.585 299 S HA 0.435 4.962 4.470 0.095 0.000 0.273 299 S C -0.987 173.579 174.600 -0.056 0.000 1.339 299 S CA 0.080 58.250 58.200 -0.050 0.000 1.028 299 S CB 0.558 63.781 63.200 0.039 0.000 0.906 299 S HN 0.620 nan 8.310 nan 0.000 0.528 300 Y N 0.570 120.823 120.300 -0.077 0.000 2.425 300 Y HA 0.351 4.959 4.550 0.097 0.000 0.344 300 Y C 0.938 176.795 175.900 -0.071 0.000 0.969 300 Y CA -0.778 57.294 58.100 -0.047 0.000 1.052 300 Y CB 1.541 39.983 38.460 -0.029 0.000 1.215 300 Y HN 0.765 nan 8.280 nan 0.000 0.451 301 T N 0.230 114.791 114.554 0.011 0.000 2.828 301 T HA 0.190 4.598 4.350 0.095 0.000 0.290 301 T C -1.996 172.739 174.700 0.058 0.000 1.019 301 T CA -1.571 60.498 62.100 -0.051 0.000 1.031 301 T CB 1.210 70.022 68.868 -0.093 0.000 1.001 301 T HN 0.364 nan 8.240 nan 0.000 0.531 302 P HA -0.035 nan 4.420 nan 0.000 0.218 302 P C 0.910 178.278 177.300 0.114 0.000 1.148 302 P CA 1.191 64.327 63.100 0.060 0.000 0.822 302 P CB 0.036 31.755 31.700 0.031 0.000 0.784 303 K N -1.678 118.823 120.400 0.169 0.000 2.476 303 K HA 0.264 4.642 4.320 0.095 0.000 0.196 303 K C 1.000 177.806 176.600 0.343 0.000 1.025 303 K CA 0.570 57.006 56.287 0.250 0.000 1.138 303 K CB -0.298 32.381 32.500 0.298 0.000 0.860 303 K HN 0.128 nan 8.250 nan 0.000 0.515 304 G N 1.462 110.432 108.800 0.283 0.000 2.159 304 G HA2 -0.222 3.795 3.960 0.095 0.000 0.227 304 G HA3 -0.222 3.795 3.960 0.095 0.000 0.227 304 G C -0.326 174.716 174.900 0.237 0.000 0.986 304 G CA -0.346 44.958 45.100 0.340 0.000 0.651 304 G HN 0.223 nan 8.290 nan 0.000 0.523 305 L N 1.759 122.904 121.223 -0.130 0.000 2.290 305 L HA 0.809 5.206 4.340 0.095 0.000 0.284 305 L C 0.758 177.353 176.870 -0.458 0.000 1.078 305 L CA -0.144 54.381 54.840 -0.525 0.000 0.815 305 L CB 0.861 42.243 42.059 -1.128 0.000 1.162 305 L HN 0.799 nan 8.230 nan 0.000 0.435 306 A N 5.413 127.887 122.820 -0.575 0.000 2.438 306 A HA 0.181 4.558 4.320 0.095 0.000 0.280 306 A C -0.994 176.404 177.584 -0.309 0.000 1.160 306 A CA -0.218 51.318 52.037 -0.836 0.000 0.821 306 A CB -0.618 18.233 19.000 -0.248 0.000 1.101 306 A HN 0.836 nan 8.150 nan 0.000 0.515 307 W N 4.234 125.221 121.300 -0.522 0.000 2.278 307 W HA 0.456 5.175 4.660 0.098 0.000 0.317 307 W C 0.426 176.743 176.519 -0.336 0.000 1.030 307 W CA -0.573 56.571 57.345 -0.334 0.000 1.334 307 W CB 1.289 30.587 29.460 -0.270 0.000 1.215 307 W HN 0.633 nan 8.180 nan 0.000 0.405 308 L N 6.909 127.830 121.223 -0.505 0.000 2.068 308 L HA 0.309 4.706 4.340 0.095 0.000 0.204 308 L C 0.224 176.811 176.870 -0.472 0.000 1.076 308 L CA 1.747 56.233 54.840 -0.590 0.000 0.753 308 L CB -0.558 41.040 42.059 -0.769 0.000 0.910 308 L HN 0.417 nan 8.230 nan 0.000 0.439 309 F N -3.997 115.269 119.950 -1.140 0.000 2.900 309 F HA 0.153 4.736 4.527 0.093 0.000 0.321 309 F C 0.795 175.806 175.800 -1.315 0.000 1.160 309 F CA -0.404 56.949 58.000 -1.077 0.000 0.890 309 F CB 0.336 39.195 39.000 -0.234 0.000 1.334 309 F HN 0.037 nan 8.300 nan 0.000 0.459 310 Q N 0.431 119.673 119.800 -0.930 0.000 2.197 310 Q HA -0.084 4.314 4.340 0.095 0.000 0.207 310 Q C -0.736 174.734 176.000 -0.884 0.000 0.984 310 Q CA 1.532 56.949 55.803 -0.645 0.000 0.869 310 Q CB -0.208 28.334 28.738 -0.327 0.000 0.906 310 Q HN 0.568 nan 8.270 nan 0.000 0.426 311 W N 0.904 121.487 121.300 -1.196 0.000 2.338 311 W HA 0.497 5.210 4.660 0.089 0.000 0.307 311 W C 0.840 177.041 176.519 -0.531 0.000 1.167 311 W CA 0.272 57.189 57.345 -0.714 0.000 1.208 311 W CB 1.216 30.362 29.460 -0.524 0.000 1.228 311 W HN 0.304 nan 8.180 nan 0.000 0.499 312 G N 2.027 110.713 108.800 -0.191 0.000 2.393 312 G HA2 -0.376 3.641 3.960 0.095 0.000 0.299 312 G HA3 -0.376 3.641 3.960 0.095 0.000 0.299 312 G C 1.107 175.761 174.900 -0.411 0.000 0.990 312 G CA 0.631 45.414 45.100 -0.528 0.000 1.118 312 G HN 0.716 nan 8.290 nan 0.000 0.513 313 S N -0.957 114.498 115.700 -0.408 0.000 2.382 313 S HA -0.055 4.472 4.470 0.095 0.000 0.228 313 S C 2.301 176.712 174.600 -0.315 0.000 1.027 313 S CA 1.343 59.293 58.200 -0.418 0.000 0.991 313 S CB -0.160 62.697 63.200 -0.571 0.000 0.823 313 S HN 0.512 nan 8.310 nan 0.000 0.469 314 L N 1.206 122.200 121.223 -0.382 0.000 2.109 314 L HA 0.004 4.402 4.340 0.095 0.000 0.207 314 L C 3.186 179.847 176.870 -0.348 0.000 1.086 314 L CA 1.192 55.806 54.840 -0.376 0.000 0.760 314 L CB -0.557 41.236 42.059 -0.443 0.000 0.910 314 L HN 0.338 nan 8.230 nan 0.000 0.437 315 R N 0.023 120.256 120.500 -0.446 0.000 2.096 315 R HA -0.219 4.179 4.340 0.095 0.000 0.240 315 R C 2.174 178.320 176.300 -0.255 0.000 1.139 315 R CA 1.894 57.767 56.100 -0.378 0.000 0.952 315 R CB -0.589 29.333 30.300 -0.630 0.000 0.854 315 R HN 0.443 nan 8.270 nan 0.000 0.436 316 H N 0.013 118.988 119.070 -0.159 0.000 2.357 316 H HA 0.009 4.625 4.556 0.101 0.000 0.301 316 H C 1.999 177.201 175.328 -0.210 0.000 1.082 316 H CA 1.581 57.544 56.048 -0.141 0.000 1.342 316 H CB -0.293 29.421 29.762 -0.079 0.000 1.389 316 H HN 0.409 nan 8.280 nan 0.000 0.511 317 A N 0.797 123.611 122.820 -0.010 0.000 1.877 317 A HA -0.175 4.203 4.320 0.095 0.000 0.216 317 A C 2.669 180.162 177.584 -0.152 0.000 1.186 317 A CA 2.530 54.538 52.037 -0.049 0.000 0.620 317 A CB -0.967 17.989 19.000 -0.075 0.000 0.822 317 A HN 0.586 nan 8.150 nan 0.000 0.443 318 T N -3.663 110.822 114.554 -0.115 0.000 2.951 318 T HA -0.080 4.327 4.350 0.095 0.000 0.268 318 T C 1.720 176.452 174.700 0.052 0.000 1.073 318 T CA 1.892 63.983 62.100 -0.015 0.000 1.134 318 T CB -0.719 68.181 68.868 0.053 0.000 0.884 318 T HN 0.308 nan 8.240 nan 0.000 0.479 319 T N 1.767 116.334 114.554 0.021 0.000 2.812 319 T HA -0.033 4.374 4.350 0.095 0.000 0.264 319 T C 2.159 176.874 174.700 0.025 0.000 1.042 319 T CA 0.864 63.027 62.100 0.104 0.000 1.140 319 T CB -0.239 68.703 68.868 0.124 0.000 0.870 319 T HN 0.273 nan 8.240 nan 0.000 0.445 320 Q N 0.934 120.615 119.800 -0.199 0.000 2.170 320 Q HA 0.061 4.458 4.340 0.095 0.000 0.203 320 Q C 2.657 178.691 176.000 0.056 0.000 0.976 320 Q CA 1.342 56.964 55.803 -0.301 0.000 0.858 320 Q CB -0.703 27.512 28.738 -0.871 0.000 0.907 320 Q HN 0.570 nan 8.270 nan 0.000 0.433 321 A N 0.529 123.367 122.820 0.031 0.000 1.902 321 A HA -0.192 4.186 4.320 0.095 0.000 0.217 321 A C 1.917 179.582 177.584 0.134 0.000 1.181 321 A CA 1.349 53.397 52.037 0.018 0.000 0.623 321 A CB -0.795 18.123 19.000 -0.136 0.000 0.818 321 A HN 0.360 nan 8.150 nan 0.000 0.443 322 F N 0.459 120.384 119.950 -0.041 0.000 2.075 322 F HA -0.144 4.444 4.527 0.102 0.000 0.297 322 F C 1.775 177.519 175.800 -0.093 0.000 1.113 322 F CA 1.633 59.584 58.000 -0.083 0.000 1.218 322 F CB -0.736 38.201 39.000 -0.106 0.000 0.984 322 F HN 0.129 nan 8.300 nan 0.000 0.472 323 L N 0.610 121.682 121.223 -0.253 0.000 2.042 323 L HA -0.150 4.247 4.340 0.095 0.000 0.210 323 L C 2.768 179.557 176.870 -0.135 0.000 1.076 323 L CA 1.952 56.606 54.840 -0.310 0.000 0.749 323 L CB -1.597 40.387 42.059 -0.124 0.000 0.893 323 L HN 0.254 nan 8.230 nan 0.000 0.432 324 A N -0.568 122.229 122.820 -0.038 0.000 1.902 324 A HA -0.107 4.270 4.320 0.095 0.000 0.217 324 A C 2.436 180.118 177.584 0.163 0.000 1.181 324 A CA 1.697 53.749 52.037 0.025 0.000 0.623 324 A CB -1.353 17.785 19.000 0.229 0.000 0.818 324 A HN 0.438 nan 8.150 nan 0.000 0.443 325 G N -0.648 108.230 108.800 0.129 0.000 2.418 325 G HA2 -0.087 3.930 3.960 0.095 0.000 0.217 325 G HA3 -0.087 3.930 3.960 0.095 0.000 0.217 325 G C 1.510 176.475 174.900 0.110 0.000 1.158 325 G CA 1.219 46.413 45.100 0.156 0.000 0.771 325 G HN 0.311 nan 8.290 nan 0.000 0.545 326 V N -0.351 119.531 119.914 -0.054 0.000 2.307 326 V HA -0.179 3.998 4.120 0.095 0.000 0.245 326 V C 2.272 178.459 176.094 0.155 0.000 1.045 326 V CA 1.755 64.028 62.300 -0.046 0.000 1.024 326 V CB -0.665 30.962 31.823 -0.327 0.000 0.651 326 V HN 0.481 nan 8.190 nan 0.000 0.449 327 Y N 0.987 121.338 120.300 0.085 0.000 2.242 327 Y HA -0.128 4.479 4.550 0.094 0.000 0.291 327 Y C 2.393 178.505 175.900 0.354 0.000 1.137 327 Y CA 1.318 59.556 58.100 0.230 0.000 1.181 327 Y CB -0.253 38.307 38.460 0.167 0.000 0.989 327 Y HN 0.177 nan 8.280 nan 0.000 0.527 328 A N -0.227 122.816 122.820 0.371 0.000 2.019 328 A HA -0.188 4.189 4.320 0.095 0.000 0.219 328 A C 2.023 179.710 177.584 0.171 0.000 1.164 328 A CA 1.769 54.002 52.037 0.327 0.000 0.644 328 A CB -0.544 18.678 19.000 0.369 0.000 0.805 328 A HN 0.607 nan 8.150 nan 0.000 0.449 329 E N -2.161 118.144 120.200 0.175 0.000 2.371 329 E HA -0.065 4.342 4.350 0.095 0.000 0.194 329 E C -0.024 176.670 176.600 0.156 0.000 1.012 329 E CA -0.451 56.037 56.400 0.147 0.000 0.860 329 E CB 0.067 29.866 29.700 0.164 0.000 0.811 329 E HN 0.700 nan 8.360 nan 0.000 0.502 330 W N 2.993 124.246 121.300 -0.078 0.000 2.266 330 W HA 0.015 4.733 4.660 0.097 0.000 0.317 330 W C 1.144 177.592 176.519 -0.118 0.000 1.310 330 W CA -0.515 56.767 57.345 -0.105 0.000 1.207 330 W CB 0.642 29.992 29.460 -0.184 0.000 1.199 330 W HN 0.012 nan 8.180 nan 0.000 0.544 331 E N 2.637 122.540 120.200 -0.495 0.000 2.209 331 E HA -0.181 4.226 4.350 0.095 0.000 0.196 331 E C 1.699 177.753 176.600 -0.911 0.000 0.993 331 E CA 1.476 57.540 56.400 -0.560 0.000 0.819 331 E CB -0.527 28.947 29.700 -0.378 0.000 0.745 331 E HN 0.699 nan 8.360 nan 0.000 0.477 332 G N 1.237 108.817 108.800 -2.035 0.000 2.650 332 G HA2 -0.144 3.873 3.960 0.095 0.000 0.214 332 G HA3 -0.144 3.873 3.960 0.095 0.000 0.214 332 G C 0.590 174.955 174.900 -0.893 0.000 1.136 332 G CA 0.199 44.120 45.100 -1.964 0.000 0.789 332 G HN 0.400 nan 8.290 nan 0.000 0.536 333 C N 2.163 121.108 119.300 -0.591 0.000 2.642 333 C HA 0.399 4.916 4.460 0.095 0.000 0.420 333 C C 1.221 176.187 174.990 -0.041 0.000 1.349 333 C CA -0.414 58.511 59.018 -0.155 0.000 1.821 333 C CB -0.610 27.028 27.740 -0.169 0.000 2.637 333 C HN 0.320 nan 8.230 nan 0.000 0.605 334 T N 10.081 124.704 114.554 0.116 0.000 2.778 334 T HA 0.049 4.456 4.350 0.095 0.000 0.282 334 T C -1.346 173.338 174.700 -0.027 0.000 0.983 334 T CA 0.031 62.154 62.100 0.039 0.000 1.193 334 T CB 0.513 69.425 68.868 0.074 0.000 0.938 334 T HN 0.695 nan 8.240 nan 0.000 0.523 335 P HA -0.196 nan 4.420 nan 0.000 0.218 335 P C 1.743 179.005 177.300 -0.064 0.000 1.154 335 P CA 1.258 64.321 63.100 -0.062 0.000 0.872 335 P CB -0.011 31.655 31.700 -0.057 0.000 0.790 336 S N -1.389 114.275 115.700 -0.060 0.000 2.507 336 S HA -0.064 4.463 4.470 0.095 0.000 0.235 336 S C 1.465 175.996 174.600 -0.115 0.000 0.988 336 S CA 0.889 59.049 58.200 -0.066 0.000 0.944 336 S CB -0.741 62.431 63.200 -0.045 0.000 0.762 336 S HN 0.250 nan 8.310 nan 0.000 0.526 337 K N 0.427 120.715 120.400 -0.187 0.000 2.355 337 K HA 0.298 4.675 4.320 0.095 0.000 0.198 337 K C 1.509 177.822 176.600 -0.479 0.000 1.039 337 K CA 0.248 56.278 56.287 -0.428 0.000 1.075 337 K CB 0.176 32.272 32.500 -0.674 0.000 0.870 337 K HN 0.175 nan 8.250 nan 0.000 0.540 338 V N 1.171 120.967 119.914 -0.196 0.000 2.252 338 V HA -0.293 3.884 4.120 0.095 0.000 0.249 338 V C 2.042 178.143 176.094 0.012 0.000 1.056 338 V CA 2.042 64.316 62.300 -0.044 0.000 1.022 338 V CB -0.402 31.413 31.823 -0.012 0.000 0.641 338 V HN 0.258 nan 8.190 nan 0.000 0.445 339 S N -0.587 115.105 115.700 -0.014 0.000 2.402 339 S HA -0.129 4.398 4.470 0.095 0.000 0.229 339 S C 1.975 176.619 174.600 0.073 0.000 1.021 339 S CA 1.291 59.509 58.200 0.029 0.000 0.974 339 S CB -0.086 63.120 63.200 0.010 0.000 0.800 339 S HN 0.373 nan 8.310 nan 0.000 0.484 340 V N 0.909 120.835 119.914 0.019 0.000 2.295 340 V HA -0.174 4.003 4.120 0.095 0.000 0.246 340 V C 2.053 178.325 176.094 0.296 0.000 1.049 340 V CA 1.576 63.931 62.300 0.091 0.000 1.024 340 V CB -0.781 31.033 31.823 -0.016 0.000 0.648 340 V HN 0.463 nan 8.190 nan 0.000 0.447 341 Y N 0.793 121.201 120.300 0.179 0.000 2.181 341 Y HA -0.129 4.479 4.550 0.097 0.000 0.288 341 Y C 2.439 178.510 175.900 0.286 0.000 1.146 341 Y CA 0.812 59.056 58.100 0.241 0.000 1.164 341 Y CB -0.870 37.731 38.460 0.235 0.000 0.982 341 Y HN 0.278 nan 8.280 nan 0.000 0.515 342 K N -0.195 120.424 120.400 0.365 0.000 2.097 342 K HA -0.139 4.238 4.320 0.095 0.000 0.205 342 K C 1.526 178.276 176.600 0.249 0.000 1.050 342 K CA 1.361 57.811 56.287 0.272 0.000 0.938 342 K CB -0.122 32.467 32.500 0.148 0.000 0.718 342 K HN 0.195 nan 8.250 nan 0.000 0.442 343 D N 0.462 121.009 120.400 0.244 0.000 2.144 343 D HA -0.153 4.545 4.640 0.095 0.000 0.200 343 D C 1.568 178.038 176.300 0.283 0.000 0.978 343 D CA 0.816 54.950 54.000 0.223 0.000 0.833 343 D CB -0.170 40.746 40.800 0.193 0.000 0.961 343 D HN 0.077 nan 8.370 nan 0.000 0.470 344 F N 1.424 121.500 119.950 0.209 0.000 2.134 344 F HA -0.144 4.441 4.527 0.096 0.000 0.299 344 F C 2.059 177.973 175.800 0.190 0.000 1.097 344 F CA 0.752 58.888 58.000 0.226 0.000 1.264 344 F CB -0.419 38.739 39.000 0.262 0.000 1.001 344 F HN -0.074 nan 8.300 nan 0.000 0.479 345 L N 1.161 122.483 121.223 0.166 0.000 2.013 345 L HA -0.225 4.172 4.340 0.095 0.000 0.212 345 L C 2.416 179.280 176.870 -0.011 0.000 1.073 345 L CA 2.361 57.219 54.840 0.030 0.000 0.753 345 L CB -1.168 40.986 42.059 0.157 0.000 0.890 345 L HN 0.255 nan 8.230 nan 0.000 0.432 346 K N -0.710 119.734 120.400 0.074 0.000 2.057 346 K HA -0.144 4.233 4.320 0.095 0.000 0.206 346 K C 2.219 178.891 176.600 0.120 0.000 1.050 346 K CA 1.421 57.764 56.287 0.094 0.000 0.935 346 K CB -0.185 32.398 32.500 0.138 0.000 0.715 346 K HN 0.660 nan 8.250 nan 0.000 0.439 347 S N 0.581 116.345 115.700 0.107 0.000 2.368 347 S HA -0.162 4.365 4.470 0.095 0.000 0.225 347 S C 1.928 176.584 174.600 0.093 0.000 1.030 347 S CA 0.793 59.076 58.200 0.138 0.000 0.999 347 S CB -0.282 63.026 63.200 0.181 0.000 0.844 347 S HN 0.296 nan 8.310 nan 0.000 0.459 348 Q N 0.862 120.610 119.800 -0.087 0.000 2.083 348 Q HA 0.126 4.523 4.340 0.095 0.000 0.198 348 Q C 2.294 178.304 176.000 0.016 0.000 0.969 348 Q CA 0.944 56.671 55.803 -0.127 0.000 0.838 348 Q CB -0.685 27.787 28.738 -0.443 0.000 0.900 348 Q HN 0.555 nan 8.270 nan 0.000 0.436 349 I N 1.675 122.271 120.570 0.044 0.000 2.226 349 I HA -0.226 4.001 4.170 0.095 0.000 0.245 349 I C 1.619 177.843 176.117 0.178 0.000 1.100 349 I CA 1.318 62.716 61.300 0.163 0.000 1.374 349 I CB -0.486 37.608 38.000 0.156 0.000 1.057 349 I HN 0.052 nan 8.210 nan 0.000 0.413 350 D N -0.890 119.616 120.400 0.176 0.000 2.178 350 D HA -0.241 4.456 4.640 0.095 0.000 0.201 350 D C 2.049 178.318 176.300 -0.052 0.000 0.980 350 D CA 1.075 55.109 54.000 0.055 0.000 0.842 350 D CB -0.327 40.628 40.800 0.258 0.000 0.948 350 D HN 0.366 nan 8.370 nan 0.000 0.472 351 Y N 1.333 121.628 120.300 -0.009 0.000 2.181 351 Y HA -0.159 4.446 4.550 0.093 0.000 0.288 351 Y C 2.254 178.185 175.900 0.052 0.000 1.146 351 Y CA 1.640 59.751 58.100 0.018 0.000 1.164 351 Y CB -0.360 38.103 38.460 0.005 0.000 0.982 351 Y HN -0.042 nan 8.280 nan 0.000 0.515 352 A N -0.022 122.939 122.820 0.234 0.000 1.933 352 A HA -0.126 4.251 4.320 0.095 0.000 0.218 352 A C 2.209 179.868 177.584 0.125 0.000 1.175 352 A CA 1.798 53.934 52.037 0.164 0.000 0.628 352 A CB -0.981 18.001 19.000 -0.031 0.000 0.814 352 A HN 0.534 nan 8.150 nan 0.000 0.444 353 L N -2.347 118.871 121.223 -0.009 0.000 2.270 353 L HA 0.168 4.565 4.340 0.095 0.000 0.210 353 L C 1.720 178.435 176.870 -0.258 0.000 1.104 353 L CA 0.947 55.734 54.840 -0.089 0.000 0.804 353 L CB -0.085 41.880 42.059 -0.156 0.000 0.937 353 L HN 0.586 nan 8.230 nan 0.000 0.450 354 G N -1.228 107.293 108.800 -0.464 0.000 4.251 354 G HA2 -0.158 3.859 3.960 0.095 0.000 0.221 354 G HA3 -0.158 3.859 3.960 0.095 0.000 0.221 354 G C 0.901 175.687 174.900 -0.191 0.000 0.836 354 G CA 0.297 45.201 45.100 -0.327 0.000 1.033 354 G HN 0.196 nan 8.290 nan 0.000 0.759 355 S N 0.240 115.806 115.700 -0.223 0.000 2.474 355 S HA -0.086 4.441 4.470 0.095 0.000 0.235 355 S C 2.169 176.735 174.600 -0.056 0.000 0.997 355 S CA 2.131 60.338 58.200 0.012 0.000 0.949 355 S CB -0.450 62.793 63.200 0.070 0.000 0.766 355 S HN 1.013 nan 8.310 nan 0.000 0.517 356 T N -3.187 111.243 114.554 -0.207 0.000 3.129 356 T HA 0.516 4.923 4.350 0.095 0.000 0.251 356 T C 1.508 176.143 174.700 -0.107 0.000 1.117 356 T CA 0.636 62.634 62.100 -0.170 0.000 1.034 356 T CB -0.056 68.656 68.868 -0.260 0.000 0.968 356 T HN 1.126 nan 8.240 nan 0.000 0.526 357 G N 1.618 110.360 108.800 -0.096 0.000 2.184 357 G HA2 -0.127 3.890 3.960 0.095 0.000 0.206 357 G HA3 -0.127 3.890 3.960 0.095 0.000 0.206 357 G C 0.004 174.832 174.900 -0.120 0.000 0.995 357 G CA -0.181 44.877 45.100 -0.069 0.000 0.651 357 G HN 0.990 nan 8.290 nan 0.000 0.511 358 R N -0.529 119.837 120.500 -0.223 0.000 2.680 358 R HA 0.785 5.182 4.340 0.095 0.000 0.269 358 R C -0.492 175.539 176.300 -0.448 0.000 1.026 358 R CA -0.039 55.879 56.100 -0.304 0.000 0.889 358 R CB 0.775 30.868 30.300 -0.346 0.000 1.241 358 R HN 0.689 nan 8.270 nan 0.000 0.463 359 S N 1.003 116.498 115.700 -0.342 0.000 2.586 359 S HA 0.430 4.957 4.470 0.095 0.000 0.274 359 S C -0.469 173.856 174.600 -0.458 0.000 1.281 359 S CA -0.681 57.368 58.200 -0.252 0.000 1.035 359 S CB 0.209 63.420 63.200 0.019 0.000 0.962 359 S HN 0.542 nan 8.310 nan 0.000 0.512 360 F N 2.763 122.634 119.950 -0.132 0.000 2.639 360 F HA 0.348 4.930 4.527 0.091 0.000 0.302 360 F C -0.042 175.676 175.800 -0.137 0.000 1.097 360 F CA -0.335 57.541 58.000 -0.207 0.000 1.294 360 F CB 0.893 39.731 39.000 -0.270 0.000 1.027 360 F HN 0.253 nan 8.300 nan 0.000 0.550 361 V N 1.491 121.451 119.914 0.077 0.000 2.357 361 V HA 0.236 4.413 4.120 0.095 0.000 0.284 361 V C 0.284 176.446 176.094 0.115 0.000 1.018 361 V CA -1.227 61.126 62.300 0.088 0.000 0.841 361 V CB 1.412 33.304 31.823 0.115 0.000 0.991 361 V HN -0.169 nan 8.190 nan 0.000 0.437 362 V N 4.672 124.626 119.914 0.066 0.000 2.694 362 V HA 0.270 4.447 4.120 0.095 0.000 0.306 362 V C 1.562 177.720 176.094 0.105 0.000 1.054 362 V CA 1.472 63.796 62.300 0.041 0.000 1.161 362 V CB 0.373 32.193 31.823 -0.005 0.000 0.916 362 V HN 1.319 nan 8.190 nan 0.000 0.490 363 G N 3.457 112.285 108.800 0.045 0.000 2.203 363 G HA2 -0.310 3.707 3.960 0.095 0.000 0.263 363 G HA3 -0.310 3.707 3.960 0.095 0.000 0.263 363 G C -0.327 174.787 174.900 0.357 0.000 1.012 363 G CA 0.833 46.014 45.100 0.135 0.000 0.749 363 G HN 1.231 nan 8.290 nan 0.000 0.512 364 Y N -0.340 120.023 120.300 0.104 0.000 2.457 364 Y HA 0.516 5.124 4.550 0.096 0.000 0.343 364 Y C 0.845 176.757 175.900 0.020 0.000 0.994 364 Y CA 0.561 58.705 58.100 0.073 0.000 1.031 364 Y CB 1.485 39.991 38.460 0.076 0.000 1.246 364 Y HN 1.479 nan 8.280 nan 0.000 0.449 365 G N 2.089 110.452 108.800 -0.727 0.000 2.569 365 G HA2 -0.215 3.802 3.960 0.095 0.000 0.259 365 G HA3 -0.215 3.802 3.960 0.095 0.000 0.259 365 G C -1.361 173.418 174.900 -0.202 0.000 1.263 365 G CA -0.428 44.366 45.100 -0.511 0.000 0.928 365 G HN 1.021 nan 8.290 nan 0.000 0.572 366 V N 1.957 121.791 119.914 -0.135 0.000 2.461 366 V HA 0.398 4.575 4.120 0.095 0.000 0.275 366 V C 1.275 177.304 176.094 -0.108 0.000 1.047 366 V CA 0.976 63.216 62.300 -0.100 0.000 0.955 366 V CB 0.817 32.596 31.823 -0.074 0.000 0.988 366 V HN 1.243 nan 8.190 nan 0.000 0.471 367 N N 3.099 121.745 118.700 -0.091 0.000 2.705 367 N HA -0.118 4.679 4.740 0.095 0.000 0.255 367 N C -2.118 173.323 175.510 -0.115 0.000 1.008 367 N CA -0.230 52.764 53.050 -0.093 0.000 0.742 367 N CB 0.062 38.491 38.487 -0.097 0.000 0.906 367 N HN 0.547 nan 8.380 nan 0.000 0.541 368 P HA 0.201 nan 4.420 nan 0.000 0.272 368 P C -2.658 174.599 177.300 -0.072 0.000 1.240 368 P CA -0.838 62.213 63.100 -0.082 0.000 0.791 368 P CB 0.031 31.721 31.700 -0.016 0.000 0.978 369 P HA 0.084 nan 4.420 nan 0.000 0.268 369 P C 0.639 177.877 177.300 -0.103 0.000 1.204 369 P CA 0.409 63.520 63.100 0.018 0.000 0.768 369 P CB 0.140 31.909 31.700 0.115 0.000 0.842 370 Q N 1.179 120.854 119.800 -0.208 0.000 2.352 370 Q HA 0.052 4.449 4.340 0.095 0.000 0.212 370 Q C 0.134 175.562 176.000 -0.953 0.000 0.888 370 Q CA 0.959 56.450 55.803 -0.519 0.000 0.934 370 Q CB 0.336 28.709 28.738 -0.609 0.000 1.093 370 Q HN 0.644 nan 8.270 nan 0.000 0.523 371 H N 0.439 119.301 119.070 -0.346 0.000 2.624 371 H HA 0.272 4.884 4.556 0.094 0.000 0.233 371 H C -2.302 172.914 175.328 -0.186 0.000 1.376 371 H CA -1.724 53.997 56.048 -0.545 0.000 1.137 371 H CB 0.854 30.483 29.762 -0.221 0.000 1.867 371 H HN 0.075 nan 8.280 nan 0.000 0.547 372 P HA -0.070 nan 4.420 nan 0.000 0.269 372 P C 0.191 177.778 177.300 0.478 0.000 1.209 372 P CA 0.041 63.297 63.100 0.259 0.000 0.776 372 P CB 1.063 32.893 31.700 0.216 0.000 0.876 373 H N 2.732 122.018 119.070 0.360 0.000 3.330 373 H HA 0.105 4.716 4.556 0.091 0.000 0.260 373 H C -0.411 175.186 175.328 0.449 0.000 1.439 373 H CA 0.628 56.928 56.048 0.420 0.000 1.540 373 H CB -0.991 28.976 29.762 0.341 0.000 1.698 373 H HN 0.322 nan 8.280 nan 0.000 0.516 374 H N 4.463 123.632 119.070 0.164 0.000 3.149 374 H HA 0.174 4.718 4.556 -0.020 0.000 0.334 374 H C 0.483 175.645 175.328 -0.276 0.000 1.000 374 H CA -0.566 55.470 56.048 -0.021 0.000 1.415 374 H CB 0.849 30.702 29.762 0.151 0.000 1.819 374 H HN 0.686 nan 8.280 nan 0.000 0.486 375 R N 1.273 121.242 120.500 -0.886 0.000 2.070 375 R HA -0.094 4.303 4.340 0.095 0.000 0.233 375 R C 1.514 177.542 176.300 -0.454 0.000 1.137 375 R CA 2.328 57.757 56.100 -1.119 0.000 0.945 375 R CB 0.012 29.551 30.300 -1.269 0.000 0.845 375 R HN 0.455 nan 8.270 nan 0.000 0.430 376 T N 0.517 114.985 114.554 -0.143 0.000 2.857 376 T HA -0.040 4.367 4.350 0.095 0.000 0.266 376 T C 1.857 176.732 174.700 0.293 0.000 1.048 376 T CA 1.178 63.375 62.100 0.161 0.000 1.139 376 T CB -0.118 68.951 68.868 0.335 0.000 0.874 376 T HN 0.363 nan 8.240 nan 0.000 0.455 377 A N 0.954 124.039 122.820 0.441 0.000 1.930 377 A HA -0.122 4.255 4.320 0.095 0.000 0.217 377 A C 2.057 179.498 177.584 -0.238 0.000 1.175 377 A CA 1.534 53.589 52.037 0.029 0.000 0.627 377 A CB -0.852 18.132 19.000 -0.027 0.000 0.815 377 A HN 0.731 nan 8.150 nan 0.000 0.443 378 H N -0.561 118.215 119.070 -0.491 0.000 2.299 378 H HA 0.059 4.669 4.556 0.089 0.000 0.302 378 H C 1.385 176.455 175.328 -0.430 0.000 1.078 378 H CA 1.150 56.740 56.048 -0.763 0.000 1.323 378 H CB -0.249 29.236 29.762 -0.461 0.000 1.381 378 H HN 0.633 nan 8.280 nan 0.000 0.498 379 G N 1.189 109.706 108.800 -0.473 0.000 2.291 379 G HA2 -0.270 3.747 3.960 0.095 0.000 0.271 379 G HA3 -0.270 3.747 3.960 0.095 0.000 0.271 379 G C -0.016 174.581 174.900 -0.506 0.000 1.099 379 G CA 0.711 45.547 45.100 -0.440 0.000 0.919 379 G HN 0.624 nan 8.290 nan 0.000 0.496 380 S N -0.807 114.511 115.700 -0.636 0.000 2.564 380 S HA 0.454 4.981 4.470 0.095 0.000 0.278 380 S C 1.173 175.659 174.600 -0.190 0.000 1.333 380 S CA 0.647 58.531 58.200 -0.527 0.000 1.048 380 S CB 0.217 63.267 63.200 -0.250 0.000 0.900 380 S HN 1.214 nan 8.310 nan 0.000 0.505 381 W N 2.412 123.607 121.300 -0.176 0.000 3.008 381 W HA 0.334 5.049 4.660 0.090 0.000 0.355 381 W C 0.801 177.296 176.519 -0.041 0.000 1.095 381 W CA 0.108 57.402 57.345 -0.085 0.000 1.738 381 W CB -0.729 28.697 29.460 -0.057 0.000 1.091 381 W HN 0.656 nan 8.180 nan 0.000 0.574 382 T N -3.165 111.258 114.554 -0.218 0.000 3.288 382 T HA 0.115 4.522 4.350 0.095 0.000 0.293 382 T C 0.249 174.897 174.700 -0.088 0.000 1.008 382 T CA 0.138 62.157 62.100 -0.135 0.000 0.929 382 T CB -0.441 68.270 68.868 -0.262 0.000 1.152 382 T HN 0.033 nan 8.240 nan 0.000 0.517 383 D N 1.603 121.947 120.400 -0.092 0.000 2.697 383 D HA -0.161 4.536 4.640 0.095 0.000 0.238 383 D C -0.607 175.662 176.300 -0.052 0.000 1.152 383 D CA 1.019 54.966 54.000 -0.088 0.000 0.666 383 D CB -1.127 39.691 40.800 0.030 0.000 1.037 383 D HN 0.772 nan 8.370 nan 0.000 0.423 384 Q N 0.082 119.841 119.800 -0.068 0.000 2.271 384 Q HA 0.305 4.702 4.340 0.095 0.000 0.268 384 Q C 0.985 176.854 176.000 -0.219 0.000 1.021 384 Q CA -0.535 55.175 55.803 -0.155 0.000 0.802 384 Q CB 1.702 30.333 28.738 -0.179 0.000 1.282 384 Q HN 0.243 nan 8.270 nan 0.000 0.431 385 M N 1.108 120.364 119.600 -0.574 0.000 2.394 385 M HA -0.097 4.440 4.480 0.095 0.000 0.264 385 M C 1.418 177.431 176.300 -0.478 0.000 1.073 385 M CA 1.736 56.469 55.300 -0.945 0.000 1.111 385 M CB 0.363 32.263 32.600 -1.166 0.000 1.401 385 M HN 0.762 nan 8.290 nan 0.000 0.448 386 T N -3.369 111.004 114.554 -0.303 0.000 3.107 386 T HA 0.143 4.550 4.350 0.095 0.000 0.249 386 T C 0.549 175.160 174.700 -0.148 0.000 1.096 386 T CA -0.043 61.926 62.100 -0.219 0.000 1.012 386 T CB 0.061 68.817 68.868 -0.187 0.000 0.977 386 T HN 0.194 nan 8.240 nan 0.000 0.527 387 S N 2.703 118.327 115.700 -0.127 0.000 2.619 387 S HA 0.549 5.076 4.470 0.095 0.000 0.280 387 S C -2.925 171.422 174.600 -0.421 0.000 1.150 387 S CA -1.557 56.492 58.200 -0.252 0.000 0.978 387 S CB 1.824 64.814 63.200 -0.349 0.000 1.041 387 S HN 0.063 nan 8.310 nan 0.000 0.485 388 P HA 0.151 nan 4.420 nan 0.000 0.273 388 P C 0.694 177.905 177.300 -0.148 0.000 1.250 388 P CA -0.128 62.719 63.100 -0.421 0.000 0.793 388 P CB 0.172 31.437 31.700 -0.725 0.000 1.011 389 T N -3.162 111.347 114.554 -0.075 0.000 3.194 389 T HA 0.108 4.515 4.350 0.095 0.000 0.251 389 T C 0.463 175.305 174.700 0.237 0.000 1.132 389 T CA 0.308 62.445 62.100 0.062 0.000 1.028 389 T CB -1.192 67.735 68.868 0.099 0.000 0.976 389 T HN 0.539 nan 8.240 nan 0.000 0.535 390 Y N -1.749 118.688 120.300 0.229 0.000 2.615 390 Y HA 0.730 5.337 4.550 0.095 0.000 0.341 390 Y C -0.756 175.365 175.900 0.367 0.000 1.089 390 Y CA -2.182 56.086 58.100 0.280 0.000 1.049 390 Y CB 0.503 39.051 38.460 0.147 0.000 1.296 390 Y HN -0.106 nan 8.280 nan 0.000 0.470 391 H N 1.623 120.812 119.070 0.198 0.000 2.690 391 H HA 0.433 5.043 4.556 0.090 0.000 0.314 391 H C 0.608 175.944 175.328 0.014 0.000 1.069 391 H CA -0.501 55.592 56.048 0.076 0.000 1.436 391 H CB 1.366 31.124 29.762 -0.007 0.000 1.462 391 H HN 0.658 nan 8.280 nan 0.000 0.511 392 R N 2.063 122.434 120.500 -0.214 0.000 2.236 392 R HA 0.017 4.414 4.340 0.095 0.000 0.208 392 R C -0.155 175.775 176.300 -0.618 0.000 1.036 392 R CA 0.630 56.525 56.100 -0.341 0.000 1.001 392 R CB 0.226 30.102 30.300 -0.706 0.000 0.896 392 R HN 0.580 nan 8.270 nan 0.000 0.464 393 H N -0.915 117.911 119.070 -0.406 0.000 2.797 393 H HA 0.264 4.878 4.556 0.096 0.000 0.372 393 H C -0.542 174.418 175.328 -0.612 0.000 1.168 393 H CA -0.654 54.901 56.048 -0.822 0.000 1.163 393 H CB 1.999 30.608 29.762 -1.922 0.000 1.778 393 H HN -0.245 nan 8.280 nan 0.000 0.551 394 T N 2.541 116.794 114.554 -0.501 0.000 2.801 394 T HA 0.241 4.648 4.350 0.095 0.000 0.306 394 T C 0.846 175.215 174.700 -0.553 0.000 1.020 394 T CA -0.472 61.332 62.100 -0.493 0.000 0.948 394 T CB -0.024 68.449 68.868 -0.658 0.000 0.962 394 T HN 0.397 nan 8.240 nan 0.000 0.465 395 I N 5.183 125.538 120.570 -0.357 0.000 2.213 395 I HA 0.239 4.466 4.170 0.095 0.000 0.295 395 I C -0.509 175.631 176.117 0.039 0.000 1.172 395 I CA -0.694 60.460 61.300 -0.243 0.000 1.443 395 I CB -0.351 37.586 38.000 -0.107 0.000 1.491 395 I HN 0.561 nan 8.210 nan 0.000 0.652 396 Y N 5.018 125.461 120.300 0.238 0.000 2.904 396 Y HA 0.110 4.713 4.550 0.089 0.000 0.336 396 Y C 1.714 177.847 175.900 0.389 0.000 1.263 396 Y CA 1.368 59.702 58.100 0.390 0.000 1.547 396 Y CB 0.199 39.009 38.460 0.584 0.000 1.272 396 Y HN 0.752 nan 8.280 nan 0.000 0.596 397 G N 1.012 110.048 108.800 0.392 0.000 2.253 397 G HA2 -0.265 3.752 3.960 0.095 0.000 0.251 397 G HA3 -0.265 3.752 3.960 0.095 0.000 0.251 397 G C 0.394 175.306 174.900 0.019 0.000 0.998 397 G CA -0.164 45.074 45.100 0.230 0.000 0.621 397 G HN 1.168 nan 8.290 nan 0.000 0.524 398 A N 0.314 123.053 122.820 -0.136 0.000 2.524 398 A HA 0.562 4.939 4.320 0.095 0.000 0.250 398 A C 0.298 177.719 177.584 -0.272 0.000 1.078 398 A CA 0.647 52.332 52.037 -0.586 0.000 0.761 398 A CB 0.467 19.216 19.000 -0.417 0.000 1.012 398 A HN 1.557 nan 8.150 nan 0.000 0.500 399 L N 5.381 126.416 121.223 -0.312 0.000 2.265 399 L HA 0.500 4.898 4.340 0.095 0.000 0.288 399 L C 0.334 177.167 176.870 -0.061 0.000 1.058 399 L CA -0.218 54.478 54.840 -0.240 0.000 0.809 399 L CB 1.051 42.796 42.059 -0.524 0.000 1.179 399 L HN 0.712 nan 8.230 nan 0.000 0.429 400 V N 3.234 123.151 119.914 0.006 0.000 3.185 400 V HA 0.479 4.656 4.120 0.095 0.000 0.305 400 V C 1.471 177.603 176.094 0.063 0.000 1.090 400 V CA 0.336 62.719 62.300 0.138 0.000 1.107 400 V CB 0.286 32.237 31.823 0.213 0.000 1.061 400 V HN 0.867 nan 8.190 nan 0.000 0.480 401 G N 0.984 109.887 108.800 0.173 0.000 2.529 401 G HA2 0.309 4.326 3.960 0.095 0.000 0.219 401 G HA3 0.309 4.326 3.960 0.095 0.000 0.219 401 G C 1.001 175.769 174.900 -0.219 0.000 1.177 401 G CA 1.143 46.212 45.100 -0.052 0.000 0.773 401 G HN 2.258 nan 8.290 nan 0.000 0.573 402 G N -1.414 107.309 108.800 -0.128 0.000 2.423 402 G HA2 0.226 4.243 3.960 0.095 0.000 0.684 402 G HA3 0.226 4.243 3.960 0.095 0.000 0.684 402 G C -3.091 171.767 174.900 -0.071 0.000 1.309 402 G CA -0.269 44.648 45.100 -0.305 0.000 0.950 402 G HN 0.401 nan 8.290 nan 0.000 0.587 403 P HA 0.355 nan 4.420 nan 0.000 0.275 403 P C -0.347 177.087 177.300 0.223 0.000 1.266 403 P CA 0.140 63.320 63.100 0.134 0.000 0.793 403 P CB 0.584 32.361 31.700 0.128 0.000 1.074 404 D N -1.425 119.045 120.400 0.115 0.000 2.447 404 D HA -0.006 4.691 4.640 0.095 0.000 0.265 404 D C 1.045 177.032 176.300 -0.522 0.000 1.250 404 D CA -0.593 53.420 54.000 0.021 0.000 1.046 404 D CB -0.755 39.990 40.800 -0.092 0.000 1.095 404 D HN 0.493 nan 8.370 nan 0.000 0.555 405 N N -1.415 116.487 118.700 -1.331 0.000 2.573 405 N HA -0.129 4.668 4.740 0.095 0.000 0.187 405 N C 0.739 175.842 175.510 -0.680 0.000 1.107 405 N CA 0.357 52.429 53.050 -1.630 0.000 0.918 405 N CB -0.089 37.395 38.487 -1.672 0.000 0.966 405 N HN 0.372 nan 8.380 nan 0.000 0.448 406 A N 0.534 123.108 122.820 -0.411 0.000 2.574 406 A HA 0.177 4.554 4.320 0.095 0.000 0.283 406 A C 0.008 177.540 177.584 -0.088 0.000 1.270 406 A CA -0.370 51.545 52.037 -0.203 0.000 0.945 406 A CB 0.234 19.140 19.000 -0.155 0.000 1.127 406 A HN 0.262 nan 8.150 nan 0.000 0.522 407 D N -1.127 119.232 120.400 -0.069 0.000 3.079 407 D HA -0.149 4.548 4.640 0.095 0.000 0.214 407 D C 0.710 177.090 176.300 0.133 0.000 1.145 407 D CA 1.359 55.417 54.000 0.097 0.000 0.958 407 D CB -1.515 39.381 40.800 0.160 0.000 1.117 407 D HN 0.691 nan 8.370 nan 0.000 0.416 408 G N 0.226 109.061 108.800 0.060 0.000 2.406 408 G HA2 0.365 4.382 3.960 0.095 0.000 0.251 408 G HA3 0.365 4.382 3.960 0.095 0.000 0.251 408 G C -0.793 174.220 174.900 0.188 0.000 1.271 408 G CA -0.102 45.048 45.100 0.084 0.000 0.859 408 G HN 0.229 nan 8.290 nan 0.000 0.540 409 Y N 0.672 121.009 120.300 0.062 0.000 2.442 409 Y HA 0.525 5.130 4.550 0.091 0.000 0.330 409 Y C -0.706 175.228 175.900 0.056 0.000 1.100 409 Y CA -0.829 57.327 58.100 0.093 0.000 1.034 409 Y CB 1.703 40.319 38.460 0.261 0.000 1.285 409 Y HN 0.574 nan 8.280 nan 0.000 0.440 410 T N 5.278 119.387 114.554 -0.742 0.000 2.840 410 T HA 0.171 4.578 4.350 0.095 0.000 0.287 410 T C -1.486 172.737 174.700 -0.795 0.000 0.991 410 T CA -0.581 61.164 62.100 -0.593 0.000 0.964 410 T CB 0.951 69.637 68.868 -0.304 0.000 0.954 410 T HN 0.559 nan 8.240 nan 0.000 0.438 411 D N 3.590 123.662 120.400 -0.546 0.000 2.483 411 D HA 0.205 4.902 4.640 0.095 0.000 0.220 411 D C -0.195 176.057 176.300 -0.080 0.000 1.173 411 D CA -0.183 53.679 54.000 -0.231 0.000 0.964 411 D CB 0.229 41.051 40.800 0.038 0.000 1.046 411 D HN 0.499 nan 8.370 nan 0.000 0.517 412 E N 2.166 122.294 120.200 -0.120 0.000 2.317 412 E HA 0.239 4.646 4.350 0.095 0.000 0.270 412 E C 0.876 177.452 176.600 -0.040 0.000 0.885 412 E CA -0.794 55.512 56.400 -0.156 0.000 0.760 412 E CB 2.411 32.006 29.700 -0.175 0.000 1.227 412 E HN 0.211 nan 8.360 nan 0.000 0.434 413 I N 1.677 122.211 120.570 -0.059 0.000 2.361 413 I HA -0.217 4.010 4.170 0.095 0.000 0.251 413 I C 1.069 177.279 176.117 0.155 0.000 1.133 413 I CA 1.407 62.756 61.300 0.080 0.000 1.413 413 I CB 0.243 38.218 38.000 -0.040 0.000 1.073 413 I HN 0.422 nan 8.210 nan 0.000 0.424 414 N N 1.161 119.879 118.700 0.031 0.000 2.279 414 N HA -0.005 4.792 4.740 0.095 0.000 0.226 414 N C 0.042 175.603 175.510 0.086 0.000 1.126 414 N CA -0.041 53.069 53.050 0.101 0.000 0.846 414 N CB -0.287 38.204 38.487 0.007 0.000 1.050 414 N HN 0.134 nan 8.380 nan 0.000 0.502 415 N N 1.066 119.765 118.700 -0.002 0.000 3.188 415 N HA -0.071 4.726 4.740 0.095 0.000 0.279 415 N C 0.260 175.676 175.510 -0.158 0.000 1.213 415 N CA -0.339 52.623 53.050 -0.148 0.000 1.138 415 N CB -0.280 38.105 38.487 -0.171 0.000 1.417 415 N HN 0.349 nan 8.380 nan 0.000 0.526 416 Y N 0.108 120.321 120.300 -0.145 0.000 2.716 416 Y HA 0.015 4.619 4.550 0.090 0.000 0.302 416 Y C 0.890 176.768 175.900 -0.036 0.000 1.160 416 Y CA -0.015 57.935 58.100 -0.250 0.000 1.362 416 Y CB -0.230 38.010 38.460 -0.366 0.000 0.988 416 Y HN 0.049 nan 8.280 nan 0.000 0.546 417 V N 0.681 120.286 119.914 -0.515 0.000 2.988 417 V HA -0.105 4.072 4.120 0.095 0.000 0.223 417 V C 1.872 177.838 176.094 -0.214 0.000 1.144 417 V CA 0.950 62.922 62.300 -0.546 0.000 1.242 417 V CB -0.623 30.619 31.823 -0.968 0.000 1.073 417 V HN 0.338 nan 8.190 nan 0.000 0.508 418 N N 0.977 119.557 118.700 -0.201 0.000 2.137 418 N HA -0.205 4.592 4.740 0.095 0.000 0.190 418 N C 0.978 176.610 175.510 0.203 0.000 1.017 418 N CA 1.600 54.662 53.050 0.020 0.000 0.859 418 N CB -0.054 38.421 38.487 -0.021 0.000 1.002 418 N HN 0.312 nan 8.380 nan 0.000 0.428 419 N N 0.526 119.317 118.700 0.152 0.000 2.214 419 N HA 0.038 4.835 4.740 0.095 0.000 0.214 419 N C -0.695 174.997 175.510 0.304 0.000 1.132 419 N CA -0.002 53.202 53.050 0.257 0.000 0.856 419 N CB 0.351 38.963 38.487 0.208 0.000 1.020 419 N HN 0.252 nan 8.380 nan 0.000 0.509 420 E N 1.078 121.465 120.200 0.312 0.000 2.390 420 E HA 0.248 4.655 4.350 0.095 0.000 0.261 420 E C -0.170 176.644 176.600 0.356 0.000 1.076 420 E CA -0.253 56.365 56.400 0.363 0.000 0.905 420 E CB 0.515 30.440 29.700 0.375 0.000 0.984 420 E HN 0.298 nan 8.360 nan 0.000 0.427 421 I N -0.313 120.392 120.570 0.225 0.000 2.730 421 I HA 0.929 5.156 4.170 0.095 0.000 0.298 421 I C -0.911 175.185 176.117 -0.036 0.000 1.089 421 I CA -1.168 60.193 61.300 0.101 0.000 1.041 421 I CB 2.128 40.213 38.000 0.142 0.000 1.235 421 I HN 0.552 nan 8.210 nan 0.000 0.423 422 A N 3.377 126.081 122.820 -0.192 0.000 2.608 422 A HA 0.489 4.866 4.320 0.095 0.000 0.292 422 A C 0.280 178.035 177.584 0.284 0.000 1.066 422 A CA -0.552 51.476 52.037 -0.015 0.000 0.676 422 A CB 0.977 19.742 19.000 -0.391 0.000 1.277 422 A HN 0.948 nan 8.150 nan 0.000 0.413 423 C N 0.685 120.227 119.300 0.403 0.000 2.376 423 C HA -0.169 4.348 4.460 0.095 0.000 0.275 423 C C 2.524 177.867 174.990 0.589 0.000 1.200 423 C CA 1.867 61.213 59.018 0.547 0.000 1.756 423 C CB -0.948 27.066 27.740 0.456 0.000 2.050 423 C HN 0.956 nan 8.230 nan 0.000 0.460 424 D N -0.726 119.987 120.400 0.522 0.000 2.219 424 D HA -0.187 4.510 4.640 0.095 0.000 0.205 424 D C 1.643 178.348 176.300 0.675 0.000 0.970 424 D CA 1.368 55.775 54.000 0.678 0.000 0.851 424 D CB -0.608 40.598 40.800 0.677 0.000 0.943 424 D HN 0.456 nan 8.370 nan 0.000 0.488 425 Y N 1.283 121.774 120.300 0.320 0.000 2.224 425 Y HA -0.075 4.552 4.550 0.127 0.000 0.289 425 Y C 1.868 177.854 175.900 0.144 0.000 1.146 425 Y CA 0.932 59.128 58.100 0.159 0.000 1.182 425 Y CB -0.912 37.585 38.460 0.062 0.000 0.983 425 Y HN 0.045 nan 8.280 nan 0.000 0.524 426 N N -0.828 118.112 118.700 0.400 0.000 2.353 426 N HA 0.132 4.929 4.740 0.095 0.000 0.185 426 N C 1.714 177.527 175.510 0.504 0.000 1.098 426 N CA 0.579 53.869 53.050 0.400 0.000 0.872 426 N CB 0.003 38.604 38.487 0.189 0.000 0.970 426 N HN 0.231 nan 8.380 nan 0.000 0.467 427 A N 0.383 123.496 122.820 0.488 0.000 1.825 427 A HA 0.026 4.403 4.320 0.095 0.000 0.214 427 A C 2.295 179.967 177.584 0.146 0.000 1.206 427 A CA 1.786 54.009 52.037 0.311 0.000 0.609 427 A CB -1.341 17.806 19.000 0.245 0.000 0.851 427 A HN 0.310 nan 8.150 nan 0.000 0.445 428 G N -1.546 107.372 108.800 0.197 0.000 2.422 428 G HA2 -0.243 3.774 3.960 0.095 0.000 0.218 428 G HA3 -0.243 3.774 3.960 0.095 0.000 0.218 428 G C 1.543 176.468 174.900 0.041 0.000 1.146 428 G CA 1.031 46.191 45.100 0.099 0.000 0.769 428 G HN 0.509 nan 8.290 nan 0.000 0.547 429 F N 1.792 121.733 119.950 -0.014 0.000 2.091 429 F HA -0.198 4.380 4.527 0.084 0.000 0.299 429 F C 2.898 178.652 175.800 -0.077 0.000 1.103 429 F CA 1.890 59.868 58.000 -0.037 0.000 1.228 429 F CB -0.132 38.864 39.000 -0.006 0.000 0.984 429 F HN 0.143 nan 8.300 nan 0.000 0.477 430 T N -0.179 114.318 114.554 -0.096 0.000 2.759 430 T HA -0.162 4.245 4.350 0.095 0.000 0.269 430 T C 1.976 176.509 174.700 -0.278 0.000 1.042 430 T CA 1.310 63.290 62.100 -0.200 0.000 1.140 430 T CB -1.060 67.827 68.868 0.032 0.000 0.864 430 T HN 0.519 nan 8.240 nan 0.000 0.455 431 G N 0.940 109.443 108.800 -0.496 0.000 2.402 431 G HA2 0.006 4.023 3.960 0.095 0.000 0.216 431 G HA3 0.006 4.023 3.960 0.095 0.000 0.216 431 G C 1.826 176.454 174.900 -0.452 0.000 1.162 431 G CA 0.801 45.359 45.100 -0.902 0.000 0.777 431 G HN 0.576 nan 8.290 nan 0.000 0.539 432 A N 0.498 123.160 122.820 -0.263 0.000 1.930 432 A HA 0.137 4.514 4.320 0.095 0.000 0.217 432 A C 2.416 179.910 177.584 -0.150 0.000 1.175 432 A CA 1.103 53.124 52.037 -0.027 0.000 0.627 432 A CB -0.349 18.688 19.000 0.061 0.000 0.815 432 A HN 0.352 nan 8.150 nan 0.000 0.443 433 L N -0.879 120.185 121.223 -0.266 0.000 2.056 433 L HA -0.171 4.226 4.340 0.095 0.000 0.207 433 L C 3.090 179.833 176.870 -0.211 0.000 1.078 433 L CA 0.981 55.656 54.840 -0.274 0.000 0.749 433 L CB -0.532 41.255 42.059 -0.453 0.000 0.901 433 L HN 0.436 nan 8.230 nan 0.000 0.433 434 A N -0.358 122.311 122.820 -0.252 0.000 1.933 434 A HA -0.184 4.194 4.320 0.095 0.000 0.218 434 A C 2.348 179.821 177.584 -0.186 0.000 1.175 434 A CA 1.405 53.266 52.037 -0.292 0.000 0.628 434 A CB -0.266 18.478 19.000 -0.426 0.000 0.814 434 A HN 0.173 nan 8.150 nan 0.000 0.444 435 K N -0.934 119.351 120.400 -0.193 0.000 2.025 435 K HA -0.037 4.340 4.320 0.095 0.000 0.207 435 K C 2.001 178.254 176.600 -0.577 0.000 1.049 435 K CA 1.192 57.282 56.287 -0.328 0.000 0.933 435 K CB -0.415 31.946 32.500 -0.232 0.000 0.714 435 K HN 0.394 nan 8.250 nan 0.000 0.438 436 M N -0.364 118.967 119.600 -0.448 0.000 2.175 436 M HA -0.155 4.382 4.480 0.095 0.000 0.264 436 M C 2.136 178.206 176.300 -0.383 0.000 1.063 436 M CA 1.229 56.181 55.300 -0.580 0.000 1.119 436 M CB -0.986 31.023 32.600 -0.985 0.000 1.377 436 M HN 0.107 nan 8.290 nan 0.000 0.415 437 Y N 1.362 121.512 120.300 -0.251 0.000 2.224 437 Y HA -0.233 4.376 4.550 0.098 0.000 0.289 437 Y C 2.474 178.337 175.900 -0.061 0.000 1.146 437 Y CA 2.083 60.153 58.100 -0.051 0.000 1.182 437 Y CB -0.303 38.112 38.460 -0.075 0.000 0.983 437 Y HN 0.226 nan 8.280 nan 0.000 0.524 438 K N -0.831 119.464 120.400 -0.176 0.000 2.057 438 K HA -0.229 4.148 4.320 0.095 0.000 0.207 438 K C 1.802 178.356 176.600 -0.076 0.000 1.049 438 K CA 2.098 58.284 56.287 -0.169 0.000 0.931 438 K CB -0.473 31.974 32.500 -0.088 0.000 0.714 438 K HN 0.607 nan 8.250 nan 0.000 0.440 439 H N -1.242 117.748 119.070 -0.133 0.000 2.333 439 H HA 0.039 4.653 4.556 0.097 0.000 0.302 439 H C 1.327 176.601 175.328 -0.090 0.000 1.075 439 H CA 1.248 57.236 56.048 -0.099 0.000 1.348 439 H CB 0.394 30.102 29.762 -0.090 0.000 1.393 439 H HN 0.179 nan 8.280 nan 0.000 0.509 440 S N -0.616 115.114 115.700 0.049 0.000 2.666 440 S HA 0.293 4.820 4.470 0.095 0.000 0.239 440 S C 0.871 175.527 174.600 0.093 0.000 1.031 440 S CA 0.112 58.374 58.200 0.104 0.000 1.015 440 S CB 1.649 64.999 63.200 0.249 0.000 0.981 440 S HN 0.793 nan 8.310 nan 0.000 0.547 441 G N 1.222 109.971 108.800 -0.085 0.000 2.562 441 G HA2 0.280 4.297 3.960 0.095 0.000 0.250 441 G HA3 0.280 4.297 3.960 0.095 0.000 0.250 441 G C 0.150 175.173 174.900 0.205 0.000 1.269 441 G CA -0.317 44.682 45.100 -0.168 0.000 0.919 441 G HN 1.609 nan 8.290 nan 0.000 0.574 442 G N -1.211 107.702 108.800 0.188 0.000 3.438 442 G HA2 0.450 4.467 3.960 0.095 0.000 0.684 442 G HA3 0.450 4.467 3.960 0.095 0.000 0.684 442 G C -0.861 174.196 174.900 0.262 0.000 1.192 442 G CA 0.479 45.691 45.100 0.186 0.000 1.013 442 G HN 1.145 nan 8.290 nan 0.000 0.530 443 D N 4.154 124.648 120.400 0.156 0.000 2.348 443 D HA 0.420 5.117 4.640 0.095 0.000 0.253 443 D C -1.387 174.948 176.300 0.059 0.000 1.161 443 D CA -0.610 53.470 54.000 0.134 0.000 0.876 443 D CB 1.720 42.573 40.800 0.089 0.000 1.160 443 D HN 0.350 nan 8.370 nan 0.000 0.459 444 P HA 0.181 nan 4.420 nan 0.000 0.274 444 P C 0.164 177.447 177.300 -0.028 0.000 1.246 444 P CA -0.450 62.620 63.100 -0.049 0.000 0.795 444 P CB 1.076 32.720 31.700 -0.093 0.000 1.006 445 I N 2.887 123.413 120.570 -0.073 0.000 2.452 445 I HA 0.110 4.337 4.170 0.095 0.000 0.287 445 I C -1.547 174.611 176.117 0.068 0.000 1.079 445 I CA -1.977 59.319 61.300 -0.008 0.000 1.387 445 I CB 0.303 38.275 38.000 -0.047 0.000 1.404 445 I HN 0.192 nan 8.210 nan 0.000 0.522 446 P HA -0.013 nan 4.420 nan 0.000 0.268 446 P C -0.581 176.790 177.300 0.118 0.000 1.204 446 P CA -0.015 63.141 63.100 0.093 0.000 0.768 446 P CB 0.403 32.147 31.700 0.073 0.000 0.842 447 N N 0.083 118.860 118.700 0.128 0.000 2.714 447 N HA -0.234 4.563 4.740 0.095 0.000 0.252 447 N C -0.374 175.196 175.510 0.101 0.000 1.014 447 N CA 0.681 53.802 53.050 0.119 0.000 0.735 447 N CB -1.826 36.711 38.487 0.085 0.000 0.924 447 N HN 0.473 nan 8.380 nan 0.000 0.540 448 F N 1.220 121.140 119.950 -0.049 0.000 2.538 448 F HA 0.215 4.794 4.527 0.087 0.000 0.371 448 F C 0.888 176.628 175.800 -0.101 0.000 1.087 448 F CA 0.218 58.161 58.000 -0.095 0.000 1.250 448 F CB 0.502 39.410 39.000 -0.153 0.000 1.110 448 F HN -0.014 nan 8.300 nan 0.000 0.570 449 K N 3.761 123.612 120.400 -0.915 0.000 2.433 449 K HA 0.778 5.155 4.320 0.095 0.000 0.252 449 K C -1.240 174.889 176.600 -0.785 0.000 1.015 449 K CA -1.113 54.785 56.287 -0.648 0.000 0.860 449 K CB 2.009 34.354 32.500 -0.259 0.000 1.359 449 K HN 0.473 nan 8.250 nan 0.000 0.452 450 A N 1.886 124.564 122.820 -0.236 0.000 3.201 450 A HA 0.303 4.680 4.320 0.095 0.000 0.312 450 A C -0.574 177.180 177.584 0.283 0.000 1.011 450 A CA -0.441 51.687 52.037 0.152 0.000 0.987 450 A CB -0.141 19.247 19.000 0.648 0.000 1.060 450 A HN 0.401 nan 8.150 nan 0.000 0.505 451 I N 1.902 122.555 120.570 0.138 0.000 2.269 451 I HA 0.166 4.393 4.170 0.095 0.000 0.293 451 I C 0.328 176.564 176.117 0.198 0.000 1.106 451 I CA 0.150 61.556 61.300 0.177 0.000 1.248 451 I CB -0.482 37.566 38.000 0.081 0.000 1.444 451 I HN 0.497 nan 8.210 nan 0.000 0.497 452 E N 5.498 125.886 120.200 0.313 0.000 2.349 452 E HA 0.192 4.599 4.350 0.095 0.000 0.262 452 E C 0.194 176.797 176.600 0.005 0.000 1.088 452 E CA -0.777 55.767 56.400 0.240 0.000 0.899 452 E CB 1.277 31.255 29.700 0.463 0.000 1.044 452 E HN 0.426 nan 8.360 nan 0.000 0.420 453 K N 1.561 121.923 120.400 -0.063 0.000 2.270 453 K HA 0.169 4.546 4.320 0.095 0.000 0.276 453 K C -0.579 175.702 176.600 -0.533 0.000 1.023 453 K CA -0.523 55.641 56.287 -0.205 0.000 0.955 453 K CB 0.442 32.871 32.500 -0.118 0.000 0.975 453 K HN 0.223 nan 8.250 nan 0.000 0.471 454 I N 3.986 124.117 120.570 -0.732 0.000 2.436 454 I HA -0.053 4.174 4.170 0.095 0.000 0.289 454 I C 1.340 177.020 176.117 -0.728 0.000 1.083 454 I CA 0.266 60.782 61.300 -1.306 0.000 1.372 454 I CB 1.111 38.614 38.000 -0.829 0.000 1.408 454 I HN 0.892 nan 8.210 nan 0.000 0.516 455 T N 1.937 116.107 114.554 -0.641 0.000 3.107 455 T HA 0.167 4.574 4.350 0.095 0.000 0.249 455 T C 0.445 175.153 174.700 0.014 0.000 1.096 455 T CA -0.243 61.775 62.100 -0.138 0.000 1.012 455 T CB -0.486 68.413 68.868 0.052 0.000 0.977 455 T HN 0.635 nan 8.240 nan 0.000 0.527 456 N N 0.375 119.096 118.700 0.036 0.000 2.277 456 N HA 0.164 4.961 4.740 0.095 0.000 0.286 456 N C -2.074 173.437 175.510 0.001 0.000 1.140 456 N CA -0.669 52.424 53.050 0.072 0.000 0.799 456 N CB 1.645 40.216 38.487 0.141 0.000 1.596 456 N HN -0.070 nan 8.380 nan 0.000 0.473 457 D N 1.264 121.641 120.400 -0.038 0.000 2.487 457 D HA -0.008 4.689 4.640 0.095 0.000 0.243 457 D C 0.839 177.057 176.300 -0.137 0.000 1.154 457 D CA 0.489 54.451 54.000 -0.063 0.000 0.876 457 D CB 1.564 42.311 40.800 -0.089 0.000 1.161 457 D HN 0.546 nan 8.370 nan 0.000 0.478 458 E N 0.485 120.651 120.200 -0.057 0.000 2.152 458 E HA -0.031 4.376 4.350 0.095 0.000 0.192 458 E C 0.104 176.619 176.600 -0.141 0.000 0.983 458 E CA 0.654 57.024 56.400 -0.049 0.000 0.818 458 E CB 0.532 30.283 29.700 0.086 0.000 0.758 458 E HN 0.179 nan 8.360 nan 0.000 0.467 459 V N 2.397 122.213 119.914 -0.163 0.000 2.569 459 V HA 0.338 4.515 4.120 0.095 0.000 0.301 459 V C -0.226 175.646 176.094 -0.369 0.000 1.044 459 V CA -0.716 61.482 62.300 -0.169 0.000 0.874 459 V CB 1.505 33.304 31.823 -0.040 0.000 1.002 459 V HN 0.110 nan 8.190 nan 0.000 0.424 460 I N 2.321 122.637 120.570 -0.422 0.000 3.206 460 I HA 0.791 5.018 4.170 0.095 0.000 0.313 460 I C -1.124 174.850 176.117 -0.238 0.000 1.103 460 I CA -1.160 59.687 61.300 -0.756 0.000 0.985 460 I CB 2.580 40.075 38.000 -0.842 0.000 1.240 460 I HN 0.572 nan 8.210 nan 0.000 0.464 461 I N 1.428 121.927 120.570 -0.117 0.000 2.686 461 I HA 0.485 4.712 4.170 0.095 0.000 0.295 461 I C -1.321 174.859 176.117 0.105 0.000 1.114 461 I CA -0.511 60.804 61.300 0.026 0.000 1.038 461 I CB 1.961 39.941 38.000 -0.033 0.000 1.238 461 I HN 0.673 nan 8.210 nan 0.000 0.420 462 K N 5.945 126.414 120.400 0.116 0.000 2.316 462 K HA 0.878 5.255 4.320 0.095 0.000 0.251 462 K C -1.270 175.377 176.600 0.080 0.000 0.934 462 K CA -0.764 55.599 56.287 0.126 0.000 0.802 462 K CB 2.284 34.901 32.500 0.196 0.000 1.171 462 K HN 0.629 nan 8.250 nan 0.000 0.426 463 A N 0.992 123.854 122.820 0.070 0.000 2.566 463 A HA 0.923 5.300 4.320 0.095 0.000 0.292 463 A C -1.016 176.590 177.584 0.036 0.000 1.112 463 A CA -0.632 51.439 52.037 0.056 0.000 0.707 463 A CB 2.163 21.213 19.000 0.083 0.000 1.302 463 A HN 0.747 nan 8.150 nan 0.000 0.409 464 G N -0.880 107.931 108.800 0.017 0.000 2.646 464 G HA2 0.597 4.614 3.960 0.095 0.000 0.291 464 G HA3 0.597 4.614 3.960 0.095 0.000 0.291 464 G C -1.905 172.984 174.900 -0.020 0.000 1.445 464 G CA -0.643 44.454 45.100 -0.005 0.000 0.814 464 G HN 1.264 nan 8.290 nan 0.000 0.495 465 L N 1.337 122.545 121.223 -0.025 0.000 2.313 465 L HA 0.381 4.778 4.340 0.095 0.000 0.282 465 L C 1.210 178.081 176.870 0.003 0.000 1.092 465 L CA -0.179 54.660 54.840 -0.002 0.000 0.831 465 L CB 0.579 42.642 42.059 0.007 0.000 1.159 465 L HN 0.732 nan 8.230 nan 0.000 0.442 466 N N 1.686 120.386 118.700 -0.000 0.000 2.387 466 N HA 0.016 4.813 4.740 0.095 0.000 0.176 466 N C -0.214 175.319 175.510 0.039 0.000 1.022 466 N CA 0.315 53.369 53.050 0.006 0.000 0.883 466 N CB 0.475 38.954 38.487 -0.013 0.000 1.019 466 N HN 0.594 nan 8.380 nan 0.000 0.435 467 S N -1.045 114.703 115.700 0.080 0.000 2.547 467 S HA 0.388 4.915 4.470 0.095 0.000 0.270 467 S C -1.453 173.227 174.600 0.134 0.000 1.150 467 S CA -0.504 57.783 58.200 0.144 0.000 0.850 467 S CB 1.909 65.245 63.200 0.227 0.000 1.118 467 S HN 0.114 nan 8.310 nan 0.000 0.461 468 T N 1.448 115.977 114.554 -0.041 0.000 2.894 468 T HA 0.822 5.229 4.350 0.095 0.000 0.309 468 T C -0.381 173.893 174.700 -0.711 0.000 1.208 468 T CA 0.218 62.083 62.100 -0.392 0.000 1.016 468 T CB 1.367 70.174 68.868 -0.103 0.000 1.192 468 T HN 1.209 nan 8.240 nan 0.000 0.491 469 G N 2.421 110.544 108.800 -1.129 0.000 2.682 469 G HA2 0.581 4.598 3.960 0.095 0.000 0.290 469 G HA3 0.581 4.598 3.960 0.095 0.000 0.290 469 G C -2.419 172.260 174.900 -0.369 0.000 1.425 469 G CA -1.088 43.606 45.100 -0.676 0.000 0.807 469 G HN 0.482 nan 8.290 nan 0.000 0.482 470 P HA -0.050 nan 4.420 nan 0.000 0.221 470 P C 0.992 178.258 177.300 -0.057 0.000 1.145 470 P CA 1.317 64.377 63.100 -0.066 0.000 0.795 470 P CB 0.280 31.952 31.700 -0.047 0.000 0.775 471 N N -2.295 116.329 118.700 -0.126 0.000 2.238 471 N HA 0.032 4.829 4.740 0.095 0.000 0.235 471 N C -0.325 174.888 175.510 -0.495 0.000 1.209 471 N CA -0.465 52.466 53.050 -0.199 0.000 0.879 471 N CB -0.108 38.292 38.487 -0.145 0.000 1.136 471 N HN 0.222 nan 8.380 nan 0.000 0.517 472 Y N -2.267 117.647 120.300 -0.643 0.000 2.677 472 Y HA 0.687 5.294 4.550 0.095 0.000 0.334 472 Y C -1.607 174.095 175.900 -0.331 0.000 1.196 472 Y CA -0.988 56.611 58.100 -0.835 0.000 1.059 472 Y CB 0.744 38.923 38.460 -0.467 0.000 1.315 472 Y HN -0.158 nan 8.280 nan 0.000 0.455 473 T N 2.291 116.841 114.554 -0.007 0.000 2.881 473 T HA 0.390 4.797 4.350 0.095 0.000 0.290 473 T C -1.618 173.191 174.700 0.181 0.000 1.000 473 T CA -0.676 61.551 62.100 0.211 0.000 0.978 473 T CB 1.553 70.683 68.868 0.436 0.000 0.997 473 T HN 0.711 nan 8.240 nan 0.000 0.443 474 E N 3.754 124.046 120.200 0.152 0.000 2.191 474 E HA 0.476 4.883 4.350 0.095 0.000 0.263 474 E C -0.857 175.643 176.600 -0.166 0.000 0.881 474 E CA -0.724 55.662 56.400 -0.024 0.000 0.757 474 E CB 0.719 30.462 29.700 0.073 0.000 1.147 474 E HN 0.362 nan 8.360 nan 0.000 0.414 475 I N 3.793 124.053 120.570 -0.517 0.000 2.460 475 I HA 0.304 4.531 4.170 0.095 0.000 0.298 475 I C -0.033 175.844 176.117 -0.400 0.000 0.989 475 I CA -0.674 60.298 61.300 -0.546 0.000 1.173 475 I CB 1.522 38.899 38.000 -1.039 0.000 1.338 475 I HN 0.551 nan 8.210 nan 0.000 0.456 476 K N 4.824 125.137 120.400 -0.145 0.000 2.339 476 K HA 0.735 5.112 4.320 0.095 0.000 0.264 476 K C -1.180 175.448 176.600 0.046 0.000 0.986 476 K CA -0.372 55.913 56.287 -0.004 0.000 0.866 476 K CB 1.443 33.957 32.500 0.024 0.000 1.103 476 K HN 0.794 nan 8.250 nan 0.000 0.441 477 A N 3.307 126.208 122.820 0.136 0.000 2.374 477 A HA 0.682 5.059 4.320 0.095 0.000 0.317 477 A C -1.290 176.325 177.584 0.052 0.000 1.094 477 A CA -0.722 51.367 52.037 0.087 0.000 0.765 477 A CB 1.755 20.806 19.000 0.085 0.000 1.268 477 A HN 0.430 nan 8.150 nan 0.000 0.438 478 V N 2.245 122.147 119.914 -0.020 0.000 2.525 478 V HA 0.380 4.557 4.120 0.095 0.000 0.299 478 V C -0.445 175.542 176.094 -0.179 0.000 1.034 478 V CA -0.594 61.645 62.300 -0.102 0.000 0.863 478 V CB 1.447 33.211 31.823 -0.098 0.000 0.999 478 V HN 0.680 nan 8.190 nan 0.000 0.423 479 V N 5.335 125.120 119.914 -0.216 0.000 2.439 479 V HA 0.487 4.664 4.120 0.095 0.000 0.282 479 V C -0.919 174.999 176.094 -0.294 0.000 1.039 479 V CA -0.412 61.801 62.300 -0.146 0.000 0.913 479 V CB 1.387 33.206 31.823 -0.006 0.000 0.983 479 V HN 0.756 nan 8.190 nan 0.000 0.460 480 Y N 2.959 123.212 120.300 -0.079 0.000 2.376 480 Y HA 0.404 5.010 4.550 0.094 0.000 0.340 480 Y C 0.371 176.171 175.900 -0.167 0.000 0.965 480 Y CA -0.774 57.265 58.100 -0.101 0.000 1.078 480 Y CB 1.577 39.963 38.460 -0.124 0.000 1.193 480 Y HN 0.570 nan 8.280 nan 0.000 0.452 481 N N 3.380 122.084 118.700 0.007 0.000 2.462 481 N HA 0.127 4.924 4.740 0.095 0.000 0.242 481 N C -0.801 174.574 175.510 -0.224 0.000 1.010 481 N CA -0.133 52.881 53.050 -0.061 0.000 0.939 481 N CB 0.819 39.313 38.487 0.013 0.000 1.127 481 N HN 0.831 nan 8.380 nan 0.000 0.509 482 Q N 1.490 121.036 119.800 -0.424 0.000 2.182 482 Q HA 0.107 4.504 4.340 0.095 0.000 0.305 482 Q C -0.048 175.710 176.000 -0.404 0.000 0.880 482 Q CA -0.434 54.829 55.803 -0.900 0.000 1.131 482 Q CB 0.429 28.350 28.738 -1.362 0.000 1.237 482 Q HN 0.664 nan 8.270 nan 0.000 0.447 483 T N -2.757 111.714 114.554 -0.138 0.000 2.932 483 T HA 0.333 4.740 4.350 0.095 0.000 0.312 483 T C 1.058 175.760 174.700 0.002 0.000 1.071 483 T CA 0.387 62.497 62.100 0.018 0.000 1.128 483 T CB 1.450 70.361 68.868 0.072 0.000 0.984 483 T HN 0.333 nan 8.240 nan 0.000 0.549 484 G N 0.620 109.434 108.800 0.023 0.000 3.584 484 G HA2 0.181 4.198 3.960 0.095 0.000 0.201 484 G HA3 0.181 4.198 3.960 0.095 0.000 0.201 484 G C -0.002 174.678 174.900 -0.366 0.000 1.176 484 G CA -0.543 44.357 45.100 -0.334 0.000 0.902 484 G HN 0.739 nan 8.290 nan 0.000 0.678 485 W N 2.607 124.037 121.300 0.217 0.000 1.759 485 W HA 0.350 5.074 4.660 0.106 0.000 0.291 485 W C -2.686 173.918 176.519 0.142 0.000 0.855 485 W CA -1.310 56.162 57.345 0.212 0.000 2.167 485 W CB 1.335 30.913 29.460 0.197 0.000 2.351 485 W HN 0.068 nan 8.180 nan 0.000 0.423 486 P HA 0.487 nan 4.420 nan 0.000 0.285 486 P C -0.081 177.285 177.300 0.111 0.000 1.285 486 P CA -0.374 62.808 63.100 0.137 0.000 0.854 486 P CB 1.665 33.422 31.700 0.096 0.000 1.180 487 A N 1.756 124.620 122.820 0.074 0.000 2.531 487 A HA 0.392 4.769 4.320 0.095 0.000 0.236 487 A C 0.662 178.306 177.584 0.100 0.000 1.062 487 A CA 0.273 52.362 52.037 0.086 0.000 0.760 487 A CB -0.408 18.648 19.000 0.093 0.000 0.995 487 A HN 0.731 nan 8.150 nan 0.000 0.501 488 R N 0.405 120.973 120.500 0.114 0.000 2.690 488 R HA 0.540 4.937 4.340 0.095 0.000 0.269 488 R C -1.849 174.526 176.300 0.126 0.000 1.037 488 R CA -0.975 55.187 56.100 0.104 0.000 0.877 488 R CB 0.679 31.033 30.300 0.090 0.000 1.255 488 R HN 0.330 nan 8.270 nan 0.000 0.467 489 V N 1.556 121.535 119.914 0.107 0.000 2.614 489 V HA 0.259 4.436 4.120 0.095 0.000 0.291 489 V C 0.368 176.524 176.094 0.102 0.000 1.049 489 V CA 0.298 62.674 62.300 0.127 0.000 1.038 489 V CB 1.310 33.177 31.823 0.073 0.000 0.980 489 V HN 0.892 nan 8.190 nan 0.000 0.481 490 T N -0.091 114.528 114.554 0.109 0.000 2.977 490 T HA 0.348 4.756 4.350 0.095 0.000 0.346 490 T C -0.091 174.659 174.700 0.083 0.000 1.140 490 T CA -0.690 61.463 62.100 0.088 0.000 1.040 490 T CB 0.641 69.558 68.868 0.082 0.000 1.046 490 T HN 0.768 nan 8.240 nan 0.000 0.494 491 D N 1.855 122.298 120.400 0.072 0.000 2.424 491 D HA 0.120 4.817 4.640 0.095 0.000 0.220 491 D C 0.479 176.813 176.300 0.056 0.000 1.150 491 D CA -0.545 53.492 54.000 0.061 0.000 0.831 491 D CB 0.292 41.122 40.800 0.050 0.000 0.981 491 D HN 0.582 nan 8.370 nan 0.000 0.500 492 K N 0.627 121.068 120.400 0.067 0.000 3.012 492 K HA 0.322 4.699 4.320 0.095 0.000 0.207 492 K C -0.197 176.460 176.600 0.095 0.000 1.130 492 K CA -0.335 55.994 56.287 0.070 0.000 1.021 492 K CB 1.215 33.756 32.500 0.068 0.000 0.736 492 K HN 0.093 nan 8.250 nan 0.000 0.448 493 I N 1.755 122.385 120.570 0.100 0.000 2.440 493 I HA 0.170 4.398 4.170 0.095 0.000 0.294 493 I C 0.434 176.639 176.117 0.146 0.000 0.995 493 I CA -0.245 61.139 61.300 0.140 0.000 1.306 493 I CB 1.508 39.590 38.000 0.137 0.000 1.407 493 I HN 0.140 nan 8.210 nan 0.000 0.501 494 S N 5.403 121.230 115.700 0.212 0.000 2.607 494 S HA 0.817 5.344 4.470 0.095 0.000 0.273 494 S C -0.886 173.933 174.600 0.364 0.000 1.148 494 S CA -0.796 57.498 58.200 0.157 0.000 0.833 494 S CB 2.190 65.425 63.200 0.057 0.000 1.130 494 S HN 0.536 nan 8.310 nan 0.000 0.470 495 F N -1.291 118.760 119.950 0.169 0.000 2.643 495 F HA 0.870 5.454 4.527 0.095 0.000 0.314 495 F C -1.236 174.641 175.800 0.128 0.000 1.096 495 F CA -1.095 57.052 58.000 0.246 0.000 0.953 495 F CB 1.405 40.524 39.000 0.198 0.000 1.345 495 F HN 0.644 nan 8.300 nan 0.000 0.468 496 K N 1.266 121.913 120.400 0.411 0.000 2.378 496 K HA 0.377 4.754 4.320 0.095 0.000 0.252 496 K C -2.240 174.400 176.600 0.067 0.000 0.931 496 K CA -0.895 55.404 56.287 0.021 0.000 0.794 496 K CB 2.662 34.885 32.500 -0.462 0.000 1.181 496 K HN 0.771 nan 8.250 nan 0.000 0.425 497 Y N 3.166 123.411 120.300 -0.090 0.000 2.356 497 Y HA 0.363 4.970 4.550 0.095 0.000 0.334 497 Y C -1.320 174.564 175.900 -0.027 0.000 0.958 497 Y CA -0.972 57.206 58.100 0.130 0.000 1.196 497 Y CB 0.446 39.133 38.460 0.378 0.000 1.137 497 Y HN 0.420 nan 8.280 nan 0.000 0.485 498 F N 6.518 126.398 119.950 -0.116 0.000 2.394 498 F HA 0.586 5.170 4.527 0.095 0.000 0.340 498 F C -0.076 175.682 175.800 -0.070 0.000 1.105 498 F CA -0.364 57.614 58.000 -0.036 0.000 1.124 498 F CB 1.121 40.080 39.000 -0.069 0.000 1.145 498 F HN 0.326 nan 8.300 nan 0.000 0.505 499 M N 2.118 121.886 119.600 0.280 0.000 2.619 499 M HA 0.297 4.834 4.480 0.095 0.000 0.297 499 M C -1.484 174.962 176.300 0.244 0.000 1.229 499 M CA -0.904 54.526 55.300 0.215 0.000 0.860 499 M CB 2.291 35.054 32.600 0.271 0.000 1.741 499 M HN 0.377 nan 8.290 nan 0.000 0.462 500 D N 2.206 122.686 120.400 0.133 0.000 2.392 500 D HA 0.362 5.059 4.640 0.095 0.000 0.228 500 D C -0.724 175.633 176.300 0.096 0.000 1.074 500 D CA -0.211 53.875 54.000 0.144 0.000 0.838 500 D CB 1.056 41.901 40.800 0.074 0.000 1.067 500 D HN 0.625 nan 8.370 nan 0.000 0.511 501 L N 3.430 124.775 121.223 0.203 0.000 2.928 501 L HA 0.060 4.457 4.340 0.095 0.000 0.246 501 L C 2.107 179.029 176.870 0.087 0.000 1.239 501 L CA -0.226 54.669 54.840 0.092 0.000 1.035 501 L CB 0.034 42.082 42.059 -0.018 0.000 1.360 501 L HN 0.331 nan 8.230 nan 0.000 0.529 502 S N -0.045 115.711 115.700 0.094 0.000 2.383 502 S HA -0.228 4.299 4.470 0.095 0.000 0.229 502 S C 1.791 176.405 174.600 0.023 0.000 1.030 502 S CA 1.391 59.633 58.200 0.069 0.000 1.002 502 S CB -0.208 63.024 63.200 0.055 0.000 0.829 502 S HN 0.659 nan 8.310 nan 0.000 0.467 503 E N 1.697 121.902 120.200 0.009 0.000 2.204 503 E HA -0.130 4.277 4.350 0.095 0.000 0.194 503 E C 2.005 178.588 176.600 -0.029 0.000 0.989 503 E CA 0.900 57.298 56.400 -0.003 0.000 0.824 503 E CB -0.479 29.239 29.700 0.029 0.000 0.756 503 E HN 0.535 nan 8.360 nan 0.000 0.477 504 I N 1.487 122.078 120.570 0.035 0.000 2.233 504 I HA -0.153 4.074 4.170 0.095 0.000 0.243 504 I C 2.709 178.800 176.117 -0.045 0.000 1.093 504 I CA 0.514 61.840 61.300 0.044 0.000 1.380 504 I CB -1.143 36.930 38.000 0.123 0.000 1.067 504 I HN -0.016 nan 8.210 nan 0.000 0.413 505 V N 1.672 121.574 119.914 -0.020 0.000 2.287 505 V HA -0.259 3.918 4.120 0.095 0.000 0.248 505 V C 2.863 178.930 176.094 -0.045 0.000 1.053 505 V CA 1.929 64.220 62.300 -0.014 0.000 1.027 505 V CB -1.172 30.672 31.823 0.036 0.000 0.646 505 V HN 0.457 nan 8.190 nan 0.000 0.447 506 A N -0.136 122.650 122.820 -0.058 0.000 1.972 506 A HA -0.060 4.317 4.320 0.095 0.000 0.219 506 A C 2.245 179.743 177.584 -0.143 0.000 1.169 506 A CA 1.812 53.803 52.037 -0.077 0.000 0.635 506 A CB -0.597 18.365 19.000 -0.063 0.000 0.810 506 A HN 0.610 nan 8.150 nan 0.000 0.446 507 A N -1.644 121.021 122.820 -0.259 0.000 2.235 507 A HA 0.398 4.775 4.320 0.095 0.000 0.208 507 A C 1.707 179.152 177.584 -0.232 0.000 1.172 507 A CA 1.176 52.964 52.037 -0.416 0.000 0.786 507 A CB -0.982 17.362 19.000 -1.093 0.000 0.804 507 A HN 1.919 nan 8.150 nan 0.000 0.479 508 G N -1.312 107.409 108.800 -0.131 0.000 2.171 508 G HA2 -0.180 3.837 3.960 0.095 0.000 0.238 508 G HA3 -0.180 3.837 3.960 0.095 0.000 0.238 508 G C -0.263 174.616 174.900 -0.035 0.000 1.039 508 G CA 0.319 45.381 45.100 -0.063 0.000 0.759 508 G HN 0.369 nan 8.290 nan 0.000 0.501 509 I N 0.413 120.962 120.570 -0.034 0.000 2.474 509 I HA 0.389 4.616 4.170 0.095 0.000 0.294 509 I C 0.038 176.158 176.117 0.006 0.000 1.005 509 I CA -1.468 59.840 61.300 0.013 0.000 1.113 509 I CB 1.784 39.829 38.000 0.075 0.000 1.289 509 I HN 0.095 nan 8.210 nan 0.000 0.436 510 D N 8.405 128.810 120.400 0.008 0.000 2.412 510 D HA 0.056 4.753 4.640 0.095 0.000 0.257 510 D C -1.475 174.803 176.300 -0.036 0.000 1.217 510 D CA -1.676 52.321 54.000 -0.005 0.000 0.897 510 D CB 1.139 41.942 40.800 0.004 0.000 1.132 510 D HN 0.258 nan 8.370 nan 0.000 0.493 511 P HA -0.123 nan 4.420 nan 0.000 0.220 511 P C 1.436 178.607 177.300 -0.217 0.000 1.148 511 P CA 0.745 63.695 63.100 -0.250 0.000 0.803 511 P CB 0.266 31.590 31.700 -0.626 0.000 0.782 512 L N 0.141 121.295 121.223 -0.114 0.000 2.610 512 L HA 0.028 4.425 4.340 0.095 0.000 0.232 512 L C 2.363 179.221 176.870 -0.020 0.000 1.149 512 L CA 1.007 55.826 54.840 -0.035 0.000 0.872 512 L CB -0.772 41.307 42.059 0.034 0.000 0.992 512 L HN 0.100 nan 8.230 nan 0.000 0.447 513 S N -0.849 114.839 115.700 -0.021 0.000 2.524 513 S HA 0.141 4.669 4.470 0.095 0.000 0.216 513 S C 0.835 175.429 174.600 -0.010 0.000 0.987 513 S CA -0.422 57.772 58.200 -0.009 0.000 0.909 513 S CB -0.202 62.998 63.200 -0.000 0.000 0.781 513 S HN 0.225 nan 8.310 nan 0.000 0.521 514 L N 2.790 124.008 121.223 -0.008 0.000 2.525 514 L HA 0.170 4.567 4.340 0.095 0.000 0.278 514 L C -0.037 176.818 176.870 -0.026 0.000 1.218 514 L CA -0.482 54.353 54.840 -0.009 0.000 0.878 514 L CB 0.308 42.381 42.059 0.023 0.000 1.127 514 L HN 0.067 nan 8.230 nan 0.000 0.492 515 V N 2.397 122.281 119.914 -0.050 0.000 2.470 515 V HA 0.152 4.329 4.120 0.095 0.000 0.276 515 V C 0.680 176.740 176.094 -0.057 0.000 1.040 515 V CA -0.314 61.953 62.300 -0.056 0.000 1.008 515 V CB 0.981 32.761 31.823 -0.072 0.000 0.990 515 V HN 0.917 nan 8.190 nan 0.000 0.477 516 T N 1.954 116.488 114.554 -0.034 0.000 2.888 516 T HA 0.838 5.245 4.350 0.095 0.000 0.284 516 T C -0.245 174.444 174.700 -0.017 0.000 1.017 516 T CA -0.410 61.684 62.100 -0.009 0.000 1.022 516 T CB 1.856 70.728 68.868 0.007 0.000 1.013 516 T HN 0.870 nan 8.240 nan 0.000 0.465 517 S N 0.640 116.343 115.700 0.004 0.000 2.656 517 S HA 0.763 5.290 4.470 0.095 0.000 0.273 517 S C -0.996 173.628 174.600 0.040 0.000 1.168 517 S CA -0.974 57.223 58.200 -0.005 0.000 0.817 517 S CB 1.603 64.775 63.200 -0.047 0.000 1.146 517 S HN 1.068 nan 8.310 nan 0.000 0.475 518 S N 0.091 115.809 115.700 0.030 0.000 2.733 518 S HA 0.400 4.927 4.470 0.095 0.000 0.294 518 S C 0.367 174.996 174.600 0.048 0.000 1.149 518 S CA -0.744 57.495 58.200 0.065 0.000 1.034 518 S CB 0.739 63.977 63.200 0.064 0.000 1.015 518 S HN 0.812 nan 8.310 nan 0.000 0.486 519 N N 3.083 121.822 118.700 0.065 0.000 2.270 519 N HA -0.023 4.774 4.740 0.095 0.000 0.181 519 N C -0.358 175.255 175.510 0.172 0.000 1.016 519 N CA 0.812 53.906 53.050 0.075 0.000 0.870 519 N CB 0.142 38.661 38.487 0.052 0.000 0.979 519 N HN 0.722 nan 8.380 nan 0.000 0.431 520 Y N -0.152 120.159 120.300 0.018 0.000 2.521 520 Y HA 0.305 4.912 4.550 0.095 0.000 0.326 520 Y C -1.621 174.306 175.900 0.045 0.000 1.176 520 Y CA -0.831 57.283 58.100 0.024 0.000 1.079 520 Y CB 0.991 39.462 38.460 0.017 0.000 1.341 520 Y HN 0.022 nan 8.280 nan 0.000 0.456 521 S N 3.307 118.566 115.700 -0.735 0.000 2.567 521 S HA 0.594 5.122 4.470 0.095 0.000 0.270 521 S C -2.010 172.217 174.600 -0.622 0.000 1.152 521 S CA -1.193 56.653 58.200 -0.589 0.000 0.835 521 S CB 2.150 65.234 63.200 -0.192 0.000 1.115 521 S HN 0.696 nan 8.310 nan 0.000 0.459 522 E N 0.202 120.166 120.200 -0.394 0.000 2.179 522 E HA 0.638 5.045 4.350 0.095 0.000 0.275 522 E C -0.189 176.338 176.600 -0.121 0.000 0.945 522 E CA -0.718 55.545 56.400 -0.229 0.000 0.792 522 E CB 1.594 31.210 29.700 -0.139 0.000 1.125 522 E HN 1.435 nan 8.360 nan 0.000 0.397 523 G N 2.353 111.105 108.800 -0.081 0.000 3.444 523 G HA2 -0.184 3.833 3.960 0.095 0.000 0.685 523 G HA3 -0.184 3.833 3.960 0.095 0.000 0.685 523 G C 0.173 175.046 174.900 -0.044 0.000 1.145 523 G CA -0.703 44.370 45.100 -0.046 0.000 0.973 523 G HN 0.540 nan 8.290 nan 0.000 0.525 524 K N 0.878 121.261 120.400 -0.029 0.000 2.281 524 K HA -0.076 4.301 4.320 0.095 0.000 0.203 524 K C 1.661 178.246 176.600 -0.026 0.000 1.046 524 K CA 1.329 57.601 56.287 -0.026 0.000 0.938 524 K CB 0.046 32.537 32.500 -0.015 0.000 0.737 524 K HN 0.458 nan 8.250 nan 0.000 0.458 525 N N 0.468 119.155 118.700 -0.023 0.000 2.299 525 N HA -0.012 4.785 4.740 0.095 0.000 0.187 525 N C -0.150 175.340 175.510 -0.033 0.000 1.099 525 N CA 0.294 53.330 53.050 -0.023 0.000 0.867 525 N CB 0.507 38.987 38.487 -0.012 0.000 0.974 525 N HN 0.011 nan 8.380 nan 0.000 0.477 526 T N 2.198 116.728 114.554 -0.040 0.000 2.871 526 T HA 0.073 4.480 4.350 0.095 0.000 0.296 526 T C 0.311 174.970 174.700 -0.067 0.000 0.998 526 T CA 0.688 62.756 62.100 -0.053 0.000 1.162 526 T CB 0.492 69.329 68.868 -0.052 0.000 0.947 526 T HN 0.019 nan 8.240 nan 0.000 0.536 527 K N 2.360 122.704 120.400 -0.093 0.000 2.507 527 K HA 0.516 4.893 4.320 0.095 0.000 0.251 527 K C -1.282 175.227 176.600 -0.152 0.000 0.943 527 K CA -0.800 55.427 56.287 -0.100 0.000 0.794 527 K CB 2.371 34.822 32.500 -0.083 0.000 1.188 527 K HN 0.266 nan 8.250 nan 0.000 0.428 528 V N 2.720 122.552 119.914 -0.136 0.000 2.370 528 V HA 0.169 4.346 4.120 0.095 0.000 0.279 528 V C 0.491 176.501 176.094 -0.141 0.000 1.029 528 V CA -0.575 61.618 62.300 -0.178 0.000 0.870 528 V CB 1.175 32.927 31.823 -0.118 0.000 0.984 528 V HN 0.951 nan 8.190 nan 0.000 0.451 529 S N 4.489 120.086 115.700 -0.172 0.000 2.641 529 S HA 0.629 5.156 4.470 0.095 0.000 0.261 529 S C 0.571 175.100 174.600 -0.119 0.000 1.257 529 S CA 0.039 58.155 58.200 -0.141 0.000 0.983 529 S CB 1.254 64.348 63.200 -0.176 0.000 0.990 529 S HN 0.966 nan 8.310 nan 0.000 0.572 530 G N -0.643 108.096 108.800 -0.101 0.000 2.543 530 G HA2 0.486 4.503 3.960 0.095 0.000 0.290 530 G HA3 0.486 4.503 3.960 0.095 0.000 0.290 530 G C -0.573 174.271 174.900 -0.095 0.000 1.310 530 G CA -0.910 44.147 45.100 -0.072 0.000 1.025 530 G HN 0.814 nan 8.290 nan 0.000 0.502 531 V N 0.387 120.273 119.914 -0.048 0.000 2.585 531 V HA 0.226 4.404 4.120 0.095 0.000 0.296 531 V C 0.326 176.395 176.094 -0.041 0.000 1.035 531 V CA 0.369 62.652 62.300 -0.028 0.000 1.084 531 V CB 0.326 32.161 31.823 0.020 0.000 0.953 531 V HN 0.359 nan 8.190 nan 0.000 0.483 532 L N 7.355 128.491 121.223 -0.145 0.000 2.354 532 L HA 0.587 4.984 4.340 0.095 0.000 0.269 532 L C -2.400 174.564 176.870 0.157 0.000 1.005 532 L CA -1.979 52.774 54.840 -0.144 0.000 0.819 532 L CB 2.724 44.424 42.059 -0.597 0.000 1.311 532 L HN 0.408 nan 8.230 nan 0.000 0.423 533 P HA -0.007 nan 4.420 nan 0.000 0.282 533 P C -0.635 176.869 177.300 0.340 0.000 1.249 533 P CA -0.234 62.941 63.100 0.125 0.000 0.806 533 P CB 1.842 33.563 31.700 0.035 0.000 0.984 534 W N 2.885 124.212 121.300 0.045 0.000 3.517 534 W HA 0.149 4.866 4.660 0.095 0.000 0.234 534 W C -0.839 175.659 176.519 -0.036 0.000 0.972 534 W CA 0.516 57.931 57.345 0.118 0.000 2.002 534 W CB 0.625 30.234 29.460 0.249 0.000 1.018 534 W HN 0.239 nan 8.180 nan 0.000 0.712 535 D N 1.422 121.848 120.400 0.043 0.000 2.405 535 D HA 0.128 4.825 4.640 0.095 0.000 0.264 535 D C 1.115 177.339 176.300 -0.127 0.000 1.240 535 D CA -0.033 53.916 54.000 -0.084 0.000 0.893 535 D CB 0.474 41.279 40.800 0.008 0.000 1.198 535 D HN -0.020 nan 8.370 nan 0.000 0.514 536 V N 0.942 120.747 119.914 -0.182 0.000 2.392 536 V HA -0.170 4.007 4.120 0.095 0.000 0.249 536 V C 2.117 178.176 176.094 -0.058 0.000 1.059 536 V CA 2.000 64.188 62.300 -0.187 0.000 1.051 536 V CB -1.008 30.759 31.823 -0.093 0.000 0.658 536 V HN 0.391 nan 8.190 nan 0.000 0.455 537 S N 0.862 116.535 115.700 -0.044 0.000 2.419 537 S HA -0.158 4.369 4.470 0.095 0.000 0.235 537 S C 1.537 176.138 174.600 0.002 0.000 1.019 537 S CA 1.764 59.955 58.200 -0.015 0.000 0.982 537 S CB -0.695 62.489 63.200 -0.026 0.000 0.789 537 S HN 0.801 nan 8.310 nan 0.000 0.490 538 N N 1.376 120.075 118.700 -0.002 0.000 2.234 538 N HA 0.187 4.984 4.740 0.095 0.000 0.227 538 N C -0.514 175.031 175.510 0.059 0.000 1.151 538 N CA -0.043 53.021 53.050 0.023 0.000 0.865 538 N CB 0.317 38.812 38.487 0.014 0.000 1.066 538 N HN 0.311 nan 8.380 nan 0.000 0.515 539 N N 0.134 118.878 118.700 0.073 0.000 2.714 539 N HA -0.141 4.656 4.740 0.095 0.000 0.250 539 N C -0.725 174.930 175.510 0.243 0.000 1.117 539 N CA 0.454 53.633 53.050 0.216 0.000 0.719 539 N CB -1.384 37.239 38.487 0.227 0.000 1.081 539 N HN 0.021 nan 8.380 nan 0.000 0.557 540 V N 1.426 121.367 119.914 0.044 0.000 2.383 540 V HA 0.435 4.612 4.120 0.095 0.000 0.275 540 V C 0.175 176.307 176.094 0.063 0.000 1.036 540 V CA -0.192 62.208 62.300 0.167 0.000 0.889 540 V CB 0.648 32.591 31.823 0.200 0.000 0.985 540 V HN 0.088 nan 8.190 nan 0.000 0.459 541 Y N 4.257 124.765 120.300 0.347 0.000 2.665 541 Y HA 0.813 5.420 4.550 0.095 0.000 0.336 541 Y C -0.234 175.908 175.900 0.404 0.000 1.085 541 Y CA -1.156 57.167 58.100 0.372 0.000 1.096 541 Y CB 1.963 40.560 38.460 0.228 0.000 1.301 541 Y HN 0.686 nan 8.280 nan 0.000 0.493 542 Y N -2.886 117.566 120.300 0.253 0.000 2.689 542 Y HA 0.806 5.413 4.550 0.095 0.000 0.333 542 Y C -2.302 173.611 175.900 0.022 0.000 1.208 542 Y CA -1.542 56.545 58.100 -0.022 0.000 1.055 542 Y CB 0.743 38.864 38.460 -0.565 0.000 1.304 542 Y HN 0.311 nan 8.280 nan 0.000 0.455 543 V N 2.609 122.532 119.914 0.015 0.000 2.495 543 V HA 0.354 4.531 4.120 0.095 0.000 0.298 543 V C -0.767 175.241 176.094 -0.143 0.000 1.031 543 V CA -0.842 61.380 62.300 -0.129 0.000 0.871 543 V CB 1.588 33.402 31.823 -0.015 0.000 0.988 543 V HN 0.837 nan 8.190 nan 0.000 0.432 544 N N 3.199 121.754 118.700 -0.242 0.000 2.419 544 N HA 0.493 5.290 4.740 0.095 0.000 0.277 544 N C -1.444 173.830 175.510 -0.392 0.000 1.006 544 N CA -0.251 52.684 53.050 -0.192 0.000 0.923 544 N CB 1.978 40.424 38.487 -0.068 0.000 1.140 544 N HN 0.407 nan 8.380 nan 0.000 0.488 545 V N 3.042 122.566 119.914 -0.651 0.000 2.378 545 V HA 0.199 4.376 4.120 0.095 0.000 0.288 545 V C -0.399 175.360 176.094 -0.558 0.000 1.016 545 V CA -0.801 61.014 62.300 -0.809 0.000 0.840 545 V CB 1.339 32.195 31.823 -1.612 0.000 0.994 545 V HN 0.622 nan 8.190 nan 0.000 0.431 546 D N 3.960 124.181 120.400 -0.297 0.000 2.233 546 D HA 0.472 5.169 4.640 0.095 0.000 0.240 546 D C 0.283 176.530 176.300 -0.089 0.000 1.074 546 D CA -0.236 53.675 54.000 -0.149 0.000 0.838 546 D CB 1.934 42.673 40.800 -0.100 0.000 1.124 546 D HN 0.417 nan 8.370 nan 0.000 0.475 547 L N 2.356 123.565 121.223 -0.023 0.000 2.857 547 L HA 0.178 4.575 4.340 0.095 0.000 0.249 547 L C 0.638 177.520 176.870 0.021 0.000 1.172 547 L CA -0.180 54.667 54.840 0.011 0.000 0.980 547 L CB 0.438 42.532 42.059 0.060 0.000 1.299 547 L HN 0.260 nan 8.230 nan 0.000 0.535 548 T N 0.901 115.463 114.554 0.014 0.000 2.905 548 T HA 0.241 4.649 4.350 0.095 0.000 0.299 548 T C 1.229 175.938 174.700 0.014 0.000 1.024 548 T CA 1.420 63.533 62.100 0.021 0.000 1.151 548 T CB 0.878 69.755 68.868 0.015 0.000 0.987 548 T HN 0.654 nan 8.240 nan 0.000 0.535 549 G N 2.985 111.798 108.800 0.022 0.000 2.254 549 G HA2 -0.180 3.837 3.960 0.095 0.000 0.225 549 G HA3 -0.180 3.837 3.960 0.095 0.000 0.225 549 G C -0.016 174.898 174.900 0.024 0.000 1.003 549 G CA -0.554 44.556 45.100 0.017 0.000 0.622 549 G HN 0.621 nan 8.290 nan 0.000 0.507 550 E N 0.997 121.215 120.200 0.030 0.000 2.290 550 E HA 0.238 4.645 4.350 0.095 0.000 0.277 550 E C 0.213 176.852 176.600 0.064 0.000 1.035 550 E CA -0.499 55.924 56.400 0.039 0.000 0.873 550 E CB 0.962 30.681 29.700 0.033 0.000 1.029 550 E HN 0.338 nan 8.360 nan 0.000 0.419 551 N N 4.077 122.827 118.700 0.084 0.000 3.178 551 N HA 0.039 4.836 4.740 0.095 0.000 0.300 551 N C -0.658 174.989 175.510 0.228 0.000 1.242 551 N CA -0.053 53.079 53.050 0.137 0.000 1.192 551 N CB -0.566 37.996 38.487 0.126 0.000 1.463 551 N HN 0.355 nan 8.380 nan 0.000 0.539 552 I N 3.012 123.677 120.570 0.159 0.000 2.416 552 I HA 0.157 4.384 4.170 0.095 0.000 0.288 552 I C -0.304 175.941 176.117 0.213 0.000 1.051 552 I CA -0.725 60.648 61.300 0.122 0.000 1.375 552 I CB -0.048 37.989 38.000 0.062 0.000 1.407 552 I HN 0.309 nan 8.210 nan 0.000 0.516 553 Y N 5.838 126.186 120.300 0.081 0.000 2.571 553 Y HA 0.542 5.148 4.550 0.094 0.000 0.341 553 Y C -2.875 173.121 175.900 0.161 0.000 1.076 553 Y CA -2.993 55.169 58.100 0.104 0.000 1.029 553 Y CB 1.357 39.871 38.460 0.091 0.000 1.308 553 Y HN 0.279 nan 8.280 nan 0.000 0.461 554 P HA 0.222 nan 4.420 nan 0.000 0.230 554 P C 0.144 177.647 177.300 0.338 0.000 1.791 554 P CA 0.496 63.756 63.100 0.266 0.000 1.020 554 P CB -0.117 31.733 31.700 0.250 0.000 1.977 555 G N 0.124 109.077 108.800 0.255 0.000 4.908 555 G HA2 0.516 4.533 3.960 0.095 0.000 0.267 555 G HA3 0.516 4.533 3.960 0.095 0.000 0.267 555 G C 0.090 175.220 174.900 0.383 0.000 0.958 555 G CA -0.132 45.296 45.100 0.546 0.000 0.743 555 G HN 0.644 nan 8.290 nan 0.000 0.410 556 G N -0.806 108.070 108.800 0.127 0.000 2.358 556 G HA2 0.285 4.302 3.960 0.095 0.000 0.301 556 G HA3 0.285 4.302 3.960 0.095 0.000 0.301 556 G C 0.174 175.107 174.900 0.055 0.000 1.539 556 G CA -0.484 44.677 45.100 0.103 0.000 0.893 556 G HN -0.084 nan 8.290 nan 0.000 0.636 557 Q N 0.059 119.895 119.800 0.061 0.000 2.084 557 Q HA -0.083 4.314 4.340 0.095 0.000 0.202 557 Q C 2.644 178.686 176.000 0.069 0.000 0.978 557 Q CA 2.130 57.983 55.803 0.082 0.000 0.844 557 Q CB -0.256 28.522 28.738 0.067 0.000 0.898 557 Q HN 0.478 nan 8.270 nan 0.000 0.426 558 S N 0.753 116.474 115.700 0.035 0.000 2.406 558 S HA 0.035 4.562 4.470 0.095 0.000 0.224 558 S C 2.042 176.613 174.600 -0.049 0.000 1.030 558 S CA 0.688 58.894 58.200 0.010 0.000 0.958 558 S CB -0.086 63.129 63.200 0.024 0.000 0.811 558 S HN 0.470 nan 8.310 nan 0.000 0.489 559 A N 1.139 123.887 122.820 -0.121 0.000 1.908 559 A HA -0.179 4.198 4.320 0.095 0.000 0.218 559 A C 2.396 179.789 177.584 -0.319 0.000 1.181 559 A CA 1.723 53.540 52.037 -0.367 0.000 0.627 559 A CB -1.238 17.261 19.000 -0.834 0.000 0.818 559 A HN 0.788 nan 8.150 nan 0.000 0.445 560 C N -0.845 118.375 119.300 -0.134 0.000 2.626 560 C HA 0.524 5.041 4.460 0.095 0.000 0.266 560 C C 1.059 176.046 174.990 -0.005 0.000 1.317 560 C CA -0.086 58.929 59.018 -0.004 0.000 1.716 560 C CB -1.811 26.058 27.740 0.216 0.000 1.819 560 C HN 0.636 nan 8.230 nan 0.000 0.578 561 R N -0.636 119.816 120.500 -0.080 0.000 2.867 561 R HA 0.809 5.207 4.340 0.095 0.000 0.268 561 R C -1.222 174.978 176.300 -0.168 0.000 1.014 561 R CA -0.621 55.336 56.100 -0.239 0.000 0.946 561 R CB 0.930 30.965 30.300 -0.442 0.000 1.208 561 R HN 0.035 nan 8.270 nan 0.000 0.477 562 R N 1.280 121.663 120.500 -0.194 0.000 2.512 562 R HA 0.223 4.620 4.340 0.095 0.000 0.291 562 R C -1.374 174.882 176.300 -0.073 0.000 1.097 562 R CA -0.666 55.379 56.100 -0.091 0.000 0.940 562 R CB 1.973 32.255 30.300 -0.029 0.000 1.198 562 R HN 0.863 nan 8.270 nan 0.000 0.429 563 E N 2.419 122.597 120.200 -0.037 0.000 2.249 563 E HA 0.464 4.871 4.350 0.095 0.000 0.280 563 E C -0.977 175.653 176.600 0.051 0.000 1.016 563 E CA -0.632 55.796 56.400 0.046 0.000 0.830 563 E CB 1.329 31.132 29.700 0.171 0.000 1.081 563 E HN 0.201 nan 8.360 nan 0.000 0.395 564 V N 4.427 124.443 119.914 0.170 0.000 2.668 564 V HA 0.225 4.402 4.120 0.095 0.000 0.304 564 V C -0.774 175.525 176.094 0.343 0.000 1.071 564 V CA -0.863 61.572 62.300 0.225 0.000 0.894 564 V CB 1.768 33.795 31.823 0.340 0.000 1.008 564 V HN 0.729 nan 8.190 nan 0.000 0.425 565 Q N 4.215 124.188 119.800 0.289 0.000 2.293 565 Q HA 0.767 5.164 4.340 0.095 0.000 0.261 565 Q C -1.254 174.892 176.000 0.244 0.000 0.960 565 Q CA -0.449 55.482 55.803 0.213 0.000 0.882 565 Q CB 2.443 31.298 28.738 0.195 0.000 1.275 565 Q HN 0.763 nan 8.270 nan 0.000 0.445 566 F N -0.723 119.259 119.950 0.054 0.000 2.613 566 F HA 0.740 5.324 4.527 0.095 0.000 0.310 566 F C -1.082 174.704 175.800 -0.023 0.000 1.085 566 F CA -1.226 56.777 58.000 0.006 0.000 0.945 566 F CB 1.619 40.621 39.000 0.003 0.000 1.298 566 F HN 0.317 nan 8.300 nan 0.000 0.455 567 R N 2.381 122.926 120.500 0.074 0.000 2.744 567 R HA 0.808 5.205 4.340 0.095 0.000 0.279 567 R C -2.219 174.095 176.300 0.023 0.000 0.977 567 R CA -0.844 55.243 56.100 -0.022 0.000 0.906 567 R CB 2.090 32.328 30.300 -0.103 0.000 1.197 567 R HN 0.830 nan 8.270 nan 0.000 0.463 568 I N 2.448 123.009 120.570 -0.016 0.000 2.465 568 I HA 0.557 4.784 4.170 0.095 0.000 0.291 568 I C -0.645 175.234 176.117 -0.397 0.000 1.014 568 I CA -0.353 60.902 61.300 -0.075 0.000 1.093 568 I CB 2.117 40.200 38.000 0.139 0.000 1.267 568 I HN 0.724 nan 8.210 nan 0.000 0.431 569 A N 4.028 126.625 122.820 -0.371 0.000 2.414 569 A HA 0.967 5.344 4.320 0.095 0.000 0.306 569 A C -0.435 176.932 177.584 -0.362 0.000 1.054 569 A CA -0.567 51.192 52.037 -0.464 0.000 0.724 569 A CB 1.380 20.219 19.000 -0.268 0.000 1.267 569 A HN 0.823 nan 8.150 nan 0.000 0.418 570 A N 2.206 124.796 122.820 -0.383 0.000 2.246 570 A HA 0.812 5.189 4.320 0.095 0.000 0.291 570 A C -2.543 174.981 177.584 -0.100 0.000 1.103 570 A CA -1.669 50.306 52.037 -0.102 0.000 0.844 570 A CB -0.472 18.528 19.000 -0.000 0.000 1.136 570 A HN 0.569 nan 8.150 nan 0.000 0.500 571 P HA 0.044 nan 4.420 nan 0.000 0.266 571 P C -0.427 176.828 177.300 -0.075 0.000 1.193 571 P CA 0.128 63.209 63.100 -0.032 0.000 0.770 571 P CB 0.272 31.993 31.700 0.036 0.000 0.836 572 Q N 1.672 121.438 119.800 -0.057 0.000 2.349 572 Q HA 0.181 4.578 4.340 0.095 0.000 0.287 572 Q C 1.306 177.276 176.000 -0.050 0.000 1.044 572 Q CA 1.349 57.120 55.803 -0.054 0.000 0.918 572 Q CB -0.416 28.297 28.738 -0.042 0.000 1.242 572 Q HN 0.801 nan 8.270 nan 0.000 0.405 573 G N 2.106 110.876 108.800 -0.050 0.000 2.205 573 G HA2 -0.322 3.695 3.960 0.095 0.000 0.261 573 G HA3 -0.322 3.695 3.960 0.095 0.000 0.261 573 G C 0.200 175.056 174.900 -0.073 0.000 0.980 573 G CA 0.554 45.628 45.100 -0.044 0.000 0.632 573 G HN 0.876 nan 8.290 nan 0.000 0.533 574 T N -1.797 112.668 114.554 -0.147 0.000 2.874 574 T HA 0.608 5.015 4.350 0.095 0.000 0.281 574 T C 0.985 175.500 174.700 -0.307 0.000 0.994 574 T CA 0.885 62.808 62.100 -0.295 0.000 1.015 574 T CB 1.780 70.267 68.868 -0.634 0.000 1.028 574 T HN 1.078 nan 8.240 nan 0.000 0.523 575 T N -1.946 112.421 114.554 -0.311 0.000 3.275 575 T HA 0.162 4.569 4.350 0.095 0.000 0.298 575 T C 0.640 175.316 174.700 -0.041 0.000 0.988 575 T CA -0.523 61.497 62.100 -0.132 0.000 0.936 575 T CB -0.736 68.115 68.868 -0.028 0.000 1.159 575 T HN 0.777 nan 8.240 nan 0.000 0.519 576 Y N -1.481 118.882 120.300 0.106 0.000 2.462 576 Y HA 0.433 5.040 4.550 0.095 0.000 0.261 576 Y C 0.922 176.899 175.900 0.128 0.000 1.146 576 Y CA -2.768 55.387 58.100 0.092 0.000 1.283 576 Y CB -0.360 38.142 38.460 0.070 0.000 1.090 576 Y HN 0.406 nan 8.280 nan 0.000 0.526 577 W N 4.340 125.640 121.300 -0.001 0.000 2.347 577 W HA 0.073 4.790 4.660 0.095 0.000 0.333 577 W C -0.915 175.604 176.519 0.000 0.000 1.383 577 W CA 0.320 57.680 57.345 0.026 0.000 1.283 577 W CB 0.528 29.950 29.460 -0.062 0.000 1.253 577 W HN 0.215 nan 8.180 nan 0.000 0.563 578 N N 8.298 126.679 118.700 -0.532 0.000 2.573 578 N HA 0.252 5.049 4.740 0.095 0.000 0.262 578 N C -1.739 173.310 175.510 -0.769 0.000 1.029 578 N CA -2.179 50.581 53.050 -0.483 0.000 0.882 578 N CB 1.648 40.004 38.487 -0.219 0.000 1.204 578 N HN 0.152 nan 8.380 nan 0.000 0.519 579 P HA -0.047 nan 4.420 nan 0.000 0.231 579 P C 0.409 177.373 177.300 -0.560 0.000 1.168 579 P CA 0.738 63.278 63.100 -0.934 0.000 0.779 579 P CB 0.503 31.391 31.700 -1.353 0.000 0.844 580 K N 0.788 121.019 120.400 -0.282 0.000 2.360 580 K HA -0.087 4.290 4.320 0.095 0.000 0.201 580 K C 1.205 177.804 176.600 -0.003 0.000 1.046 580 K CA 1.281 57.562 56.287 -0.011 0.000 0.945 580 K CB -0.449 32.058 32.500 0.012 0.000 0.750 580 K HN 0.274 nan 8.250 nan 0.000 0.464 581 N N 0.469 119.125 118.700 -0.073 0.000 2.235 581 N HA -0.012 4.785 4.740 0.095 0.000 0.209 581 N C -0.836 174.679 175.510 0.008 0.000 1.122 581 N CA -0.018 53.021 53.050 -0.019 0.000 0.845 581 N CB 0.159 38.630 38.487 -0.028 0.000 1.004 581 N HN -0.121 nan 8.380 nan 0.000 0.499 582 D N 0.644 121.039 120.400 -0.008 0.000 2.277 582 D HA 0.082 4.779 4.640 0.095 0.000 0.249 582 D C 0.697 177.071 176.300 0.123 0.000 1.134 582 D CA -0.593 53.436 54.000 0.047 0.000 0.863 582 D CB 0.814 41.610 40.800 -0.007 0.000 1.143 582 D HN -0.025 nan 8.370 nan 0.000 0.458 583 F N 2.348 122.297 119.950 -0.002 0.000 2.091 583 F HA -0.278 4.306 4.527 0.095 0.000 0.299 583 F C 1.966 177.757 175.800 -0.015 0.000 1.103 583 F CA 1.648 59.636 58.000 -0.019 0.000 1.228 583 F CB -0.021 38.941 39.000 -0.064 0.000 0.984 583 F HN 0.220 nan 8.300 nan 0.000 0.477 584 S N -1.533 114.127 115.700 -0.066 0.000 2.555 584 S HA -0.126 4.401 4.470 0.095 0.000 0.230 584 S C 1.388 175.970 174.600 -0.030 0.000 0.978 584 S CA 0.443 58.514 58.200 -0.216 0.000 0.934 584 S CB -0.572 62.333 63.200 -0.492 0.000 0.766 584 S HN 0.600 nan 8.310 nan 0.000 0.533 585 Y N 2.089 122.337 120.300 -0.086 0.000 2.503 585 Y HA 0.203 4.810 4.550 0.095 0.000 0.278 585 Y C 0.524 176.417 175.900 -0.012 0.000 1.111 585 Y CA -0.365 57.773 58.100 0.064 0.000 1.270 585 Y CB 0.022 38.544 38.460 0.104 0.000 1.063 585 Y HN 0.077 nan 8.280 nan 0.000 0.548 586 D N 0.228 120.622 120.400 -0.008 0.000 2.487 586 D HA 0.201 4.898 4.640 0.095 0.000 0.243 586 D C 1.361 177.574 176.300 -0.145 0.000 1.154 586 D CA 1.794 55.745 54.000 -0.083 0.000 0.876 586 D CB 0.382 41.111 40.800 -0.119 0.000 1.161 586 D HN 0.563 nan 8.370 nan 0.000 0.478 587 G N 3.033 111.753 108.800 -0.134 0.000 2.228 587 G HA2 -0.330 3.688 3.960 0.095 0.000 0.270 587 G HA3 -0.330 3.688 3.960 0.095 0.000 0.270 587 G C 0.517 175.331 174.900 -0.142 0.000 0.976 587 G CA 0.423 45.449 45.100 -0.123 0.000 0.636 587 G HN 0.700 nan 8.290 nan 0.000 0.542 588 L N 3.342 124.445 121.223 -0.199 0.000 2.640 588 L HA 0.333 4.730 4.340 0.095 0.000 0.280 588 L C -1.200 175.567 176.870 -0.172 0.000 1.229 588 L CA -0.778 53.953 54.840 -0.182 0.000 0.919 588 L CB -0.099 41.796 42.059 -0.273 0.000 1.168 588 L HN 0.105 nan 8.230 nan 0.000 0.496 589 P HA -0.008 nan 4.420 nan 0.000 0.261 589 P C 0.607 177.858 177.300 -0.082 0.000 1.203 589 P CA 0.231 63.288 63.100 -0.072 0.000 0.767 589 P CB 0.356 32.036 31.700 -0.033 0.000 0.785 590 T N -0.419 114.085 114.554 -0.083 0.000 2.915 590 T HA -0.086 4.321 4.350 0.095 0.000 0.269 590 T C 0.922 175.604 174.700 -0.030 0.000 1.071 590 T CA 1.259 63.319 62.100 -0.066 0.000 1.132 590 T CB -0.995 67.842 68.868 -0.052 0.000 0.878 590 T HN 0.451 nan 8.240 nan 0.000 0.479 591 T N -0.435 114.106 114.554 -0.023 0.000 3.465 591 T HA 0.519 4.926 4.350 0.095 0.000 0.323 591 T C 0.909 175.605 174.700 -0.007 0.000 1.774 591 T CA 0.216 62.309 62.100 -0.011 0.000 1.348 591 T CB 0.136 68.999 68.868 -0.009 0.000 1.147 591 T HN 0.233 nan 8.240 nan 0.000 0.778 592 S N 1.162 116.858 115.700 -0.007 0.000 2.446 592 S HA -0.280 4.247 4.470 0.095 0.000 0.328 592 S C 0.932 175.535 174.600 0.006 0.000 1.346 592 S CA 1.926 60.124 58.200 -0.002 0.000 1.166 592 S CB -1.366 61.833 63.200 -0.001 0.000 1.238 592 S HN 1.013 nan 8.310 nan 0.000 0.770 593 T N 2.720 117.277 114.554 0.006 0.000 2.750 593 T HA 0.429 4.836 4.350 0.095 0.000 0.286 593 T C 0.292 175.005 174.700 0.021 0.000 0.911 593 T CA 0.016 62.125 62.100 0.014 0.000 1.130 593 T CB 0.036 68.910 68.868 0.010 0.000 0.873 593 T HN 0.758 nan 8.240 nan 0.000 0.536 594 V N 4.832 124.769 119.914 0.038 0.000 2.740 594 V HA 0.512 4.689 4.120 0.095 0.000 0.303 594 V C 0.029 176.153 176.094 0.051 0.000 1.054 594 V CA -0.785 61.545 62.300 0.050 0.000 1.106 594 V CB 0.588 32.460 31.823 0.082 0.000 0.957 594 V HN 0.840 nan 8.190 nan 0.000 0.486 595 N N 1.717 120.444 118.700 0.045 0.000 2.357 595 N HA 0.405 5.202 4.740 0.095 0.000 0.284 595 N C -0.491 175.054 175.510 0.058 0.000 1.236 595 N CA -0.566 52.508 53.050 0.040 0.000 0.774 595 N CB 1.980 40.480 38.487 0.021 0.000 1.534 595 N HN 0.831 nan 8.380 nan 0.000 0.478 596 T N 0.667 115.258 114.554 0.063 0.000 2.934 596 T HA 0.267 4.674 4.350 0.095 0.000 0.306 596 T C 0.508 175.279 174.700 0.118 0.000 1.042 596 T CA -0.099 62.066 62.100 0.108 0.000 1.145 596 T CB -0.014 68.920 68.868 0.111 0.000 0.982 596 T HN 0.345 nan 8.240 nan 0.000 0.544 597 V N 0.917 120.928 119.914 0.161 0.000 2.914 597 V HA 0.797 4.974 4.120 0.095 0.000 0.314 597 V C 0.643 176.783 176.094 0.077 0.000 1.084 597 V CA -0.723 61.630 62.300 0.088 0.000 0.963 597 V CB 1.924 33.781 31.823 0.057 0.000 1.025 597 V HN 0.885 nan 8.190 nan 0.000 0.432 598 T N -1.384 113.126 114.554 -0.074 0.000 3.085 598 T HA 0.152 4.559 4.350 0.095 0.000 0.264 598 T C 0.627 175.224 174.700 -0.172 0.000 1.019 598 T CA 0.470 62.426 62.100 -0.241 0.000 0.910 598 T CB -0.616 68.088 68.868 -0.273 0.000 1.059 598 T HN 0.849 nan 8.240 nan 0.000 0.542 599 N N 1.266 119.889 118.700 -0.129 0.000 2.234 599 N HA 0.238 5.035 4.740 0.095 0.000 0.227 599 N C -0.188 175.383 175.510 0.102 0.000 1.151 599 N CA -0.603 52.346 53.050 -0.169 0.000 0.865 599 N CB -0.033 38.041 38.487 -0.688 0.000 1.066 599 N HN 0.478 nan 8.380 nan 0.000 0.515 600 I N 1.733 122.407 120.570 0.174 0.000 2.750 600 I HA 0.270 4.497 4.170 0.095 0.000 0.279 600 I C -2.469 173.824 176.117 0.294 0.000 1.206 600 I CA -1.983 59.505 61.300 0.313 0.000 1.101 600 I CB 1.471 39.652 38.000 0.301 0.000 1.431 600 I HN -0.203 nan 8.210 nan 0.000 0.551 601 P HA 0.005 nan 4.420 nan 0.000 0.264 601 P C -0.331 177.098 177.300 0.216 0.000 1.183 601 P CA 0.253 63.456 63.100 0.172 0.000 0.763 601 P CB 1.412 33.179 31.700 0.110 0.000 0.807 602 V N 4.831 124.782 119.914 0.062 0.000 2.483 602 V HA 0.321 4.498 4.120 0.095 0.000 0.295 602 V C -0.262 175.748 176.094 -0.139 0.000 1.035 602 V CA -0.310 62.089 62.300 0.165 0.000 0.896 602 V CB 0.645 32.605 31.823 0.229 0.000 0.986 602 V HN 0.403 nan 8.190 nan 0.000 0.447 603 Y N 1.475 121.891 120.300 0.194 0.000 2.485 603 Y HA 0.584 5.191 4.550 0.095 0.000 0.345 603 Y C -0.108 175.867 175.900 0.125 0.000 0.998 603 Y CA -1.260 56.929 58.100 0.148 0.000 1.059 603 Y CB 1.681 40.220 38.460 0.131 0.000 1.234 603 Y HN 0.540 nan 8.280 nan 0.000 0.461 604 D N 2.370 122.903 120.400 0.221 0.000 2.471 604 D HA 0.146 4.844 4.640 0.095 0.000 0.245 604 D C -0.089 176.302 176.300 0.152 0.000 1.116 604 D CA -0.199 53.897 54.000 0.159 0.000 0.853 604 D CB 0.357 41.227 40.800 0.116 0.000 1.123 604 D HN 0.786 nan 8.370 nan 0.000 0.540 605 N N 3.230 122.011 118.700 0.134 0.000 2.735 605 N HA -0.277 4.520 4.740 0.095 0.000 0.248 605 N C 0.846 176.432 175.510 0.126 0.000 1.083 605 N CA 0.831 53.946 53.050 0.108 0.000 0.703 605 N CB -0.807 37.732 38.487 0.086 0.000 1.005 605 N HN 0.789 nan 8.380 nan 0.000 0.550 606 G N -1.947 106.958 108.800 0.174 0.000 2.205 606 G HA2 -0.299 3.718 3.960 0.095 0.000 0.261 606 G HA3 -0.299 3.718 3.960 0.095 0.000 0.261 606 G C 0.039 175.122 174.900 0.305 0.000 0.980 606 G CA 0.372 45.585 45.100 0.190 0.000 0.632 606 G HN 0.471 nan 8.290 nan 0.000 0.533 607 V N 1.421 121.499 119.914 0.274 0.000 2.407 607 V HA 0.440 4.617 4.120 0.095 0.000 0.278 607 V C 0.842 177.051 176.094 0.191 0.000 1.037 607 V CA -0.660 61.780 62.300 0.233 0.000 0.900 607 V CB 1.650 33.553 31.823 0.133 0.000 0.983 607 V HN 0.412 nan 8.190 nan 0.000 0.459 608 K N 3.336 123.795 120.400 0.098 0.000 2.447 608 K HA 0.161 4.538 4.320 0.095 0.000 0.281 608 K C 0.694 177.221 176.600 -0.121 0.000 1.031 608 K CA 0.116 56.216 56.287 -0.312 0.000 1.019 608 K CB 0.819 33.134 32.500 -0.308 0.000 0.918 608 K HN 0.660 nan 8.250 nan 0.000 0.476 609 V N 2.097 121.949 119.914 -0.103 0.000 3.612 609 V HA 0.395 4.572 4.120 0.095 0.000 0.268 609 V C -0.230 175.937 176.094 0.122 0.000 1.365 609 V CA -0.276 62.040 62.300 0.027 0.000 1.044 609 V CB -0.300 31.561 31.823 0.064 0.000 0.820 609 V HN 0.633 nan 8.190 nan 0.000 0.444 610 F N 0.784 120.665 119.950 -0.116 0.000 2.628 610 F HA 0.787 5.372 4.527 0.096 0.000 0.309 610 F C 0.187 175.942 175.800 -0.075 0.000 1.108 610 F CA 0.296 58.253 58.000 -0.073 0.000 0.971 610 F CB 1.468 40.443 39.000 -0.042 0.000 1.279 610 F HN 0.608 nan 8.300 nan 0.000 0.441 611 G N 3.787 112.079 108.800 -0.848 0.000 2.728 611 G HA2 -0.064 3.953 3.960 0.095 0.000 0.294 611 G HA3 -0.064 3.953 3.960 0.095 0.000 0.294 611 G C -1.844 172.912 174.900 -0.240 0.000 1.342 611 G CA -0.708 44.058 45.100 -0.556 0.000 0.866 611 G HN 0.878 nan 8.290 nan 0.000 0.534 612 N N 0.242 118.892 118.700 -0.083 0.000 2.312 612 N HA 0.552 5.349 4.740 0.095 0.000 0.296 612 N C -0.466 175.081 175.510 0.061 0.000 1.193 612 N CA -0.608 52.446 53.050 0.006 0.000 0.773 612 N CB 2.027 40.558 38.487 0.073 0.000 1.435 612 N HN 0.725 nan 8.380 nan 0.000 0.484 613 E N 0.784 120.887 120.200 -0.162 0.000 2.232 613 E HA 0.413 4.820 4.350 0.095 0.000 0.265 613 E C -1.921 174.058 176.600 -1.035 0.000 1.001 613 E CA -1.577 54.451 56.400 -0.619 0.000 0.870 613 E CB 0.902 30.382 29.700 -0.366 0.000 1.175 613 E HN 0.356 nan 8.360 nan 0.000 0.407 614 P HA 0.000 nan 4.420 nan 0.000 0.216 614 P CA 0.000 62.150 63.100 -1.583 0.000 0.800 614 P CB 0.000 30.957 31.700 -1.239 0.000 0.726