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 2aw3_1_B DATA FIRST_RESID 1 DATA SEQUENCE SQPIFNDKQF QEALSRQWQR YGLNSAAEMT PRQWWLAVSE ALAEMLRAQP DATA SEQUENCE FAKPVANQRH VNYISMEFLI GRLTGNNLLN LGWYQDVQDS LKAYDINLTD DATA SEQUENCE LLEEEIDPAL GNGGLGRLAA CFLDSMATVG QSATGYGLNY QYGLFRQSFV DATA SEQUENCE DGKQVEAPDD WHRSNYPWFR HNEALDVQVG IGGKVTKDGR WEPEFTITGQ DATA SEQUENCE AWDLPVVGYR NGVAQPLRLW QATHAHPFDL TKFNDGDFLR AEQQGINAEK DATA SEQUENCE LTKVLYPNDN AFEGKKLRLM QQYFQCACSV ADILRRHHLA GRKLHELADY DATA SEQUENCE EVIQLNDTHP TIAIPELLRV LIDEHQMSWD DAWAITSKTF AYTNHTLMPE DATA SEQUENCE ALERWDVKLV KGLLPRHMQI INEINTRFKT LVEKTWPGDE KVWAKLAVVH DATA SEQUENCE DKQVHMANLC VVGGFAVNGV AALHSDLVVK DLFPEYHQLW PNKFHNVTNG DATA SEQUENCE ITPRRWIKQC NPALAALLDK SLQKEWANDL DQLINLEKFA DDAKFRQQYR DATA SEQUENCE EIKQANKVRL AEFVKVRTGI EINPQAIFDI QIKRLHEYKR QHLNLLHILA DATA SEQUENCE LYKEIRENPQ ADRVPRVFLF GAKAAPGYYL AKNIIFAINK VADVINNDPL DATA SEQUENCE VGDKLKVVFL PDYCVSAAEK LIPAADISEQ ISTAGKEASG TGNMKLALNG DATA SEQUENCE ALTVGTLDGA NVEIAEKVGE ENIFIFGHTV EQVKAILAKG YDPVKWRKKD DATA SEQUENCE KVLDAVLKEL ESGKYSDGDK HAFDQMLHSI GKQGGDPYLV MADFAAYVEA DATA SEQUENCE QKQVDVLYRD QEAWTRAAIL NTARCGMFSS DRSIRDYQAR IWQAKR 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.577 174.600 -0.038 0.000 1.055 1 S CA 0.000 58.169 58.200 -0.052 0.000 1.107 1 S CB 0.000 63.181 63.200 -0.032 0.000 0.593 2 Q N 1.564 121.337 119.800 -0.045 0.000 2.804 2 Q HA 0.043 4.383 4.340 -0.000 0.000 0.334 2 Q C -2.113 173.918 176.000 0.052 0.000 1.105 2 Q CA -0.151 55.633 55.803 -0.033 0.000 1.128 2 Q CB -0.353 28.363 28.738 -0.038 0.000 0.972 2 Q HN 0.379 nan 8.270 nan 0.000 0.403 3 P HA 0.113 nan 4.420 nan 0.000 0.274 3 P C -0.841 176.745 177.300 0.476 0.000 1.231 3 P CA -0.109 63.135 63.100 0.241 0.000 0.790 3 P CB 0.592 32.420 31.700 0.212 0.000 0.951 4 I N 2.478 123.273 120.570 0.374 0.000 2.312 4 I HA 0.248 4.418 4.170 -0.000 0.000 0.290 4 I C 0.272 176.413 176.117 0.040 0.000 1.008 4 I CA -0.605 60.839 61.300 0.240 0.000 1.226 4 I CB 0.089 38.148 38.000 0.098 0.000 1.371 4 I HN 0.238 nan 8.210 nan 0.000 0.468 5 F N 7.239 126.905 119.950 -0.474 0.000 2.529 5 F HA 0.198 4.725 4.527 -0.000 0.000 0.365 5 F C 0.449 175.963 175.800 -0.477 0.000 1.102 5 F CA 0.358 57.719 58.000 -1.065 0.000 1.271 5 F CB 0.317 38.513 39.000 -1.340 0.000 1.120 5 F HN 0.523 nan 8.300 nan 0.000 0.579 6 N N 4.771 122.790 118.700 -1.134 0.000 2.410 6 N HA 0.069 4.809 4.740 -0.000 0.000 0.287 6 N C -0.032 174.903 175.510 -0.958 0.000 1.044 6 N CA -0.361 52.268 53.050 -0.703 0.000 0.881 6 N CB 1.436 39.690 38.487 -0.388 0.000 1.405 6 N HN 0.865 nan 8.380 nan 0.000 0.490 7 D N 3.098 123.181 120.400 -0.528 0.000 2.144 7 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 7 D C 1.695 177.948 176.300 -0.080 0.000 0.984 7 D CA 1.472 55.351 54.000 -0.201 0.000 0.834 7 D CB 0.420 41.278 40.800 0.096 0.000 0.955 7 D HN 0.549 nan 8.370 nan 0.000 0.465 8 K N 0.035 120.368 120.400 -0.110 0.000 2.025 8 K HA -0.192 4.127 4.320 -0.000 0.000 0.207 8 K C 2.236 178.782 176.600 -0.090 0.000 1.049 8 K CA 1.018 57.269 56.287 -0.060 0.000 0.933 8 K CB -0.165 32.298 32.500 -0.061 0.000 0.714 8 K HN 0.227 nan 8.250 nan 0.000 0.438 9 Q N -0.287 119.418 119.800 -0.157 0.000 2.096 9 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 9 Q C 1.988 177.909 176.000 -0.131 0.000 0.982 9 Q CA 1.785 57.494 55.803 -0.158 0.000 0.850 9 Q CB -0.188 28.430 28.738 -0.200 0.000 0.901 9 Q HN 0.356 nan 8.270 nan 0.000 0.422 10 F N 1.162 120.933 119.950 -0.299 0.000 2.102 10 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 10 F C 2.260 178.030 175.800 -0.051 0.000 1.105 10 F CA 1.484 59.380 58.000 -0.172 0.000 1.239 10 F CB -0.208 38.701 39.000 -0.153 0.000 0.991 10 F HN 0.096 nan 8.300 nan 0.000 0.474 11 Q N 0.787 120.546 119.800 -0.068 0.000 2.061 11 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 11 Q C 2.137 178.049 176.000 -0.147 0.000 0.984 11 Q CA 2.197 57.964 55.803 -0.059 0.000 0.846 11 Q CB -0.822 27.981 28.738 0.107 0.000 0.902 11 Q HN 0.602 nan 8.270 nan 0.000 0.421 12 E N 0.843 120.959 120.200 -0.140 0.000 2.058 12 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 12 E C 1.980 178.417 176.600 -0.271 0.000 0.997 12 E CA 1.185 57.476 56.400 -0.181 0.000 0.801 12 E CB -0.189 29.426 29.700 -0.142 0.000 0.746 12 E HN 0.375 nan 8.360 nan 0.000 0.450 13 A N 1.070 123.723 122.820 -0.279 0.000 1.933 13 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 13 A C 2.161 179.497 177.584 -0.414 0.000 1.175 13 A CA 1.005 52.859 52.037 -0.304 0.000 0.628 13 A CB -0.472 18.386 19.000 -0.237 0.000 0.814 13 A HN 0.215 nan 8.150 nan 0.000 0.444 14 L N 0.745 121.664 121.223 -0.507 0.000 2.093 14 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 14 L C 2.769 179.319 176.870 -0.533 0.000 1.085 14 L CA 2.673 57.204 54.840 -0.514 0.000 0.755 14 L CB -0.629 41.079 42.059 -0.585 0.000 0.904 14 L HN 0.511 nan 8.230 nan 0.000 0.435 15 S N -0.852 114.509 115.700 -0.564 0.000 2.383 15 S HA -0.207 4.263 4.470 -0.000 0.000 0.227 15 S C 2.144 176.029 174.600 -1.192 0.000 1.026 15 S CA 0.855 58.393 58.200 -1.102 0.000 0.981 15 S CB -0.621 62.221 63.200 -0.597 0.000 0.818 15 S HN 0.513 nan 8.310 nan 0.000 0.472 16 R N 0.892 120.965 120.500 -0.713 0.000 2.117 16 R HA -0.078 4.262 4.340 -0.000 0.000 0.243 16 R C 2.692 178.606 176.300 -0.643 0.000 1.143 16 R CA 1.697 57.448 56.100 -0.583 0.000 0.968 16 R CB -0.314 29.747 30.300 -0.398 0.000 0.863 16 R HN 0.556 nan 8.270 nan 0.000 0.444 17 Q N -0.132 119.260 119.800 -0.680 0.000 2.049 17 Q HA -0.165 4.175 4.340 -0.000 0.000 0.198 17 Q C 2.110 177.531 176.000 -0.966 0.000 0.971 17 Q CA 1.508 56.862 55.803 -0.748 0.000 0.833 17 Q CB -0.527 27.863 28.738 -0.581 0.000 0.896 17 Q HN 0.644 nan 8.270 nan 0.000 0.434 18 W N 1.269 122.179 121.300 -0.650 0.000 2.425 18 W HA -0.049 4.611 4.660 -0.000 0.000 0.277 18 W C 1.346 177.638 176.519 -0.379 0.000 1.231 18 W CA 0.519 57.547 57.345 -0.528 0.000 1.248 18 W CB -0.627 28.605 29.460 -0.381 0.000 1.117 18 W HN 0.194 nan 8.180 nan 0.000 0.568 19 Q N 1.085 120.517 119.800 -0.613 0.000 2.084 19 Q HA -0.195 4.144 4.340 -0.000 0.000 0.202 19 Q C 2.430 178.253 176.000 -0.295 0.000 0.978 19 Q CA 2.087 57.646 55.803 -0.406 0.000 0.844 19 Q CB -0.476 27.919 28.738 -0.572 0.000 0.898 19 Q HN 0.250 nan 8.270 nan 0.000 0.426 20 R N -0.116 120.131 120.500 -0.423 0.000 2.193 20 R HA -0.156 4.184 4.340 -0.000 0.000 0.229 20 R C 0.881 177.093 176.300 -0.147 0.000 1.110 20 R CA 1.070 56.987 56.100 -0.305 0.000 0.988 20 R CB 0.115 30.203 30.300 -0.354 0.000 0.871 20 R HN 0.282 nan 8.270 nan 0.000 0.458 21 Y N -0.617 119.644 120.300 -0.065 0.000 2.490 21 Y HA 0.332 4.882 4.550 -0.000 0.000 0.281 21 Y C 1.281 177.175 175.900 -0.010 0.000 1.174 21 Y CA -0.166 57.912 58.100 -0.037 0.000 1.295 21 Y CB -0.083 38.354 38.460 -0.038 0.000 1.062 21 Y HN 0.221 nan 8.280 nan 0.000 0.522 22 G N 1.014 109.869 108.800 0.091 0.000 2.289 22 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.280 22 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.280 22 G C -0.352 174.614 174.900 0.111 0.000 1.089 22 G CA 0.063 45.208 45.100 0.074 0.000 0.939 22 G HN 0.300 nan 8.290 nan 0.000 0.499 23 L N -0.953 120.379 121.223 0.181 0.000 2.332 23 L HA 0.506 4.845 4.340 -0.000 0.000 0.269 23 L C 1.210 178.208 176.870 0.213 0.000 1.016 23 L CA -1.397 53.537 54.840 0.156 0.000 0.809 23 L CB 0.992 43.122 42.059 0.118 0.000 1.280 23 L HN -0.005 nan 8.230 nan 0.000 0.447 24 N N -0.110 118.617 118.700 0.046 0.000 2.446 24 N HA -0.008 4.732 4.740 -0.000 0.000 0.179 24 N C 0.042 175.387 175.510 -0.275 0.000 1.054 24 N CA 0.411 53.471 53.050 0.016 0.000 0.905 24 N CB 0.349 38.823 38.487 -0.022 0.000 0.973 24 N HN 0.696 nan 8.380 nan 0.000 0.448 25 S N -2.232 113.047 115.700 -0.702 0.000 2.587 25 S HA 0.636 5.106 4.470 -0.000 0.000 0.269 25 S C 0.595 174.284 174.600 -1.518 0.000 1.154 25 S CA -0.307 57.054 58.200 -1.398 0.000 0.824 25 S CB 1.322 64.150 63.200 -0.619 0.000 1.118 25 S HN 0.007 nan 8.310 nan 0.000 0.462 26 A N 1.421 123.136 122.820 -1.842 0.000 1.948 26 A HA 0.131 4.451 4.320 -0.000 0.000 0.220 26 A C 2.286 179.570 177.584 -0.500 0.000 1.177 26 A CA 2.349 53.684 52.037 -1.170 0.000 0.636 26 A CB -1.623 16.992 19.000 -0.642 0.000 0.815 26 A HN 1.794 nan 8.150 nan 0.000 0.449 27 A N -0.577 122.135 122.820 -0.180 0.000 2.125 27 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 27 A C 1.759 179.346 177.584 0.005 0.000 1.156 27 A CA 1.477 53.556 52.037 0.071 0.000 0.671 27 A CB -0.449 18.579 19.000 0.047 0.000 0.794 27 A HN 0.678 nan 8.150 nan 0.000 0.459 28 E N -0.777 119.338 120.200 -0.141 0.000 2.427 28 E HA 0.056 4.406 4.350 -0.000 0.000 0.196 28 E C 0.261 176.826 176.600 -0.058 0.000 1.028 28 E CA -0.201 56.148 56.400 -0.084 0.000 0.864 28 E CB -0.084 29.551 29.700 -0.109 0.000 0.813 28 E HN 0.644 nan 8.360 nan 0.000 0.514 29 M N 1.433 120.945 119.600 -0.147 0.000 2.248 29 M HA 0.016 4.496 4.480 -0.000 0.000 0.337 29 M C 0.711 177.048 176.300 0.061 0.000 1.121 29 M CA 0.091 55.293 55.300 -0.164 0.000 1.155 29 M CB 0.723 32.946 32.600 -0.630 0.000 1.514 29 M HN -0.016 nan 8.290 nan 0.000 0.452 30 T N -0.169 114.425 114.554 0.067 0.000 2.828 30 T HA 0.209 4.559 4.350 -0.000 0.000 0.290 30 T C -2.073 172.791 174.700 0.272 0.000 1.019 30 T CA -1.565 60.619 62.100 0.139 0.000 1.031 30 T CB 0.444 69.354 68.868 0.070 0.000 1.001 30 T HN 0.400 nan 8.240 nan 0.000 0.531 31 P HA -0.141 nan 4.420 nan 0.000 0.216 31 P C 1.678 179.169 177.300 0.317 0.000 1.154 31 P CA 1.159 64.435 63.100 0.294 0.000 0.865 31 P CB 0.045 31.852 31.700 0.178 0.000 0.789 32 R N -0.226 120.411 120.500 0.229 0.000 2.066 32 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 32 R C 2.343 178.786 176.300 0.237 0.000 1.131 32 R CA 1.451 57.701 56.100 0.249 0.000 0.955 32 R CB -0.485 29.901 30.300 0.143 0.000 0.851 32 R HN 0.187 nan 8.270 nan 0.000 0.432 33 Q N -0.967 118.889 119.800 0.092 0.000 2.181 33 Q HA -0.223 4.117 4.340 -0.000 0.000 0.205 33 Q C 1.706 177.767 176.000 0.102 0.000 0.980 33 Q CA 1.866 57.656 55.803 -0.022 0.000 0.862 33 Q CB -0.150 28.508 28.738 -0.133 0.000 0.905 33 Q HN 0.475 nan 8.270 nan 0.000 0.429 34 W N -0.541 120.831 121.300 0.119 0.000 2.355 34 W HA -0.215 4.445 4.660 -0.000 0.000 0.309 34 W C 2.048 178.623 176.519 0.095 0.000 1.206 34 W CA 0.738 58.144 57.345 0.101 0.000 1.284 34 W CB -0.378 29.143 29.460 0.103 0.000 1.145 34 W HN 0.336 nan 8.180 nan 0.000 0.502 35 W N 0.455 121.941 121.300 0.309 0.000 2.358 35 W HA -0.173 4.487 4.660 -0.000 0.000 0.303 35 W C 1.865 178.460 176.519 0.125 0.000 1.208 35 W CA 1.803 59.271 57.345 0.204 0.000 1.274 35 W CB -0.804 28.756 29.460 0.167 0.000 1.138 35 W HN -0.214 nan 8.180 nan 0.000 0.515 36 L N 0.700 121.710 121.223 -0.354 0.000 2.046 36 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 36 L C 2.757 179.410 176.870 -0.362 0.000 1.077 36 L CA 1.637 56.149 54.840 -0.547 0.000 0.747 36 L CB -1.257 40.691 42.059 -0.184 0.000 0.896 36 L HN 0.131 nan 8.230 nan 0.000 0.432 37 A N -0.486 122.256 122.820 -0.130 0.000 1.897 37 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 37 A C 2.374 179.835 177.584 -0.205 0.000 1.181 37 A CA 1.604 53.549 52.037 -0.154 0.000 0.620 37 A CB -0.914 18.005 19.000 -0.134 0.000 0.821 37 A HN 0.277 nan 8.150 nan 0.000 0.443 38 V N -0.643 119.217 119.914 -0.089 0.000 2.427 38 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 38 V C 2.147 178.159 176.094 -0.136 0.000 1.051 38 V CA 2.962 65.264 62.300 0.003 0.000 1.048 38 V CB -0.756 31.235 31.823 0.279 0.000 0.666 38 V HN 0.432 nan 8.190 nan 0.000 0.456 39 S N 0.080 115.528 115.700 -0.421 0.000 2.356 39 S HA -0.148 4.322 4.470 -0.000 0.000 0.223 39 S C 1.925 175.992 174.600 -0.888 0.000 1.032 39 S CA 1.692 59.459 58.200 -0.722 0.000 1.005 39 S CB -0.431 62.130 63.200 -1.066 0.000 0.867 39 S HN 0.746 nan 8.310 nan 0.000 0.449 40 E N 1.210 121.017 120.200 -0.655 0.000 2.150 40 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 40 E C 2.332 178.710 176.600 -0.370 0.000 0.985 40 E CA 0.910 57.005 56.400 -0.508 0.000 0.814 40 E CB -0.233 29.252 29.700 -0.359 0.000 0.752 40 E HN 0.500 nan 8.360 nan 0.000 0.466 41 A N 1.131 123.771 122.820 -0.300 0.000 1.898 41 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 41 A C 2.240 179.794 177.584 -0.050 0.000 1.181 41 A CA 0.941 52.858 52.037 -0.200 0.000 0.620 41 A CB -0.538 18.294 19.000 -0.280 0.000 0.819 41 A HN 0.131 nan 8.150 nan 0.000 0.442 42 L N -0.905 120.310 121.223 -0.013 0.000 2.109 42 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 42 L C 3.040 179.950 176.870 0.066 0.000 1.086 42 L CA 0.880 55.827 54.840 0.179 0.000 0.760 42 L CB -0.525 41.723 42.059 0.315 0.000 0.910 42 L HN 0.404 nan 8.230 nan 0.000 0.437 43 A N -0.174 122.441 122.820 -0.342 0.000 1.933 43 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 43 A C 2.210 179.800 177.584 0.010 0.000 1.175 43 A CA 1.607 53.557 52.037 -0.145 0.000 0.628 43 A CB -0.402 18.373 19.000 -0.376 0.000 0.814 43 A HN 0.421 nan 8.150 nan 0.000 0.444 44 E N -0.760 119.408 120.200 -0.053 0.000 2.051 44 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 44 E C 2.112 178.744 176.600 0.053 0.000 0.991 44 E CA 1.589 57.977 56.400 -0.021 0.000 0.799 44 E CB -0.218 29.434 29.700 -0.080 0.000 0.748 44 E HN 0.685 nan 8.360 nan 0.000 0.449 45 M N 0.124 119.797 119.600 0.121 0.000 2.086 45 M HA -0.178 4.301 4.480 -0.000 0.000 0.261 45 M C 2.409 178.871 176.300 0.271 0.000 1.067 45 M CA 0.951 56.382 55.300 0.218 0.000 1.116 45 M CB -0.249 32.562 32.600 0.351 0.000 1.348 45 M HN 0.146 nan 8.290 nan 0.000 0.407 46 L N 0.498 121.883 121.223 0.271 0.000 2.079 46 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 46 L C 2.299 179.251 176.870 0.137 0.000 1.081 46 L CA 1.919 56.872 54.840 0.189 0.000 0.752 46 L CB -0.406 41.775 42.059 0.203 0.000 0.896 46 L HN 0.159 nan 8.230 nan 0.000 0.433 47 R N -0.966 119.605 120.500 0.118 0.000 2.200 47 R HA 0.142 4.482 4.340 -0.000 0.000 0.208 47 R C 1.993 178.335 176.300 0.069 0.000 1.033 47 R CA 0.705 56.855 56.100 0.084 0.000 1.000 47 R CB -0.283 30.054 30.300 0.061 0.000 0.906 47 R HN 0.457 nan 8.270 nan 0.000 0.462 48 A N 0.881 123.746 122.820 0.076 0.000 2.206 48 A HA -0.011 4.309 4.320 -0.000 0.000 0.211 48 A C 0.605 178.234 177.584 0.075 0.000 1.158 48 A CA 0.436 52.508 52.037 0.060 0.000 0.761 48 A CB 0.122 19.150 19.000 0.047 0.000 0.801 48 A HN 0.094 nan 8.150 nan 0.000 0.473 49 Q N 1.053 120.914 119.800 0.101 0.000 2.299 49 Q HA 0.321 4.661 4.340 -0.000 0.000 0.246 49 Q C -2.256 173.801 176.000 0.096 0.000 0.935 49 Q CA -1.834 54.033 55.803 0.107 0.000 0.887 49 Q CB 0.082 28.890 28.738 0.117 0.000 1.223 49 Q HN 0.323 nan 8.270 nan 0.000 0.439 50 P HA 0.019 nan 4.420 nan 0.000 0.267 50 P C -0.557 176.822 177.300 0.131 0.000 1.200 50 P CA -0.212 62.948 63.100 0.101 0.000 0.772 50 P CB 0.317 32.059 31.700 0.070 0.000 0.855 51 F N 2.356 122.309 119.950 0.004 0.000 2.506 51 F HA 0.366 4.893 4.527 -0.000 0.000 0.371 51 F C 0.054 175.853 175.800 -0.001 0.000 1.078 51 F CA -0.691 57.309 58.000 -0.001 0.000 1.195 51 F CB 0.155 39.153 39.000 -0.004 0.000 1.099 51 F HN 0.419 nan 8.300 nan 0.000 0.548 52 A N 7.552 130.074 122.820 -0.497 0.000 2.269 52 A HA 0.428 4.748 4.320 -0.000 0.000 0.302 52 A C -0.426 176.633 177.584 -0.875 0.000 1.266 52 A CA -0.928 50.808 52.037 -0.500 0.000 0.894 52 A CB -0.062 18.774 19.000 -0.274 0.000 1.147 52 A HN 0.794 nan 8.150 nan 0.000 0.537 53 K N 3.951 123.943 120.400 -0.680 0.000 2.270 53 K HA 0.482 4.802 4.320 -0.000 0.000 0.276 53 K C -2.356 174.072 176.600 -0.286 0.000 1.023 53 K CA -1.227 54.718 56.287 -0.570 0.000 0.955 53 K CB 0.261 32.664 32.500 -0.162 0.000 0.975 53 K HN 0.466 nan 8.250 nan 0.000 0.471 54 P HA 0.021 nan 4.420 nan 0.000 0.293 54 P C -0.414 176.869 177.300 -0.029 0.000 1.298 54 P CA -0.678 62.378 63.100 -0.073 0.000 0.757 54 P CB 0.362 32.057 31.700 -0.008 0.000 1.262 55 V N -0.050 119.859 119.914 -0.008 0.000 2.637 55 V HA 0.306 4.426 4.120 -0.000 0.000 0.296 55 V C 0.994 177.105 176.094 0.028 0.000 1.046 55 V CA -0.213 62.091 62.300 0.006 0.000 1.066 55 V CB 0.203 32.031 31.823 0.009 0.000 0.968 55 V HN 0.773 nan 8.190 nan 0.000 0.483 56 A N 3.732 126.569 122.820 0.028 0.000 2.332 56 A HA 0.398 4.717 4.320 -0.000 0.000 0.258 56 A C 0.721 178.331 177.584 0.043 0.000 1.087 56 A CA -0.198 51.863 52.037 0.041 0.000 0.802 56 A CB -0.436 18.584 19.000 0.034 0.000 1.042 56 A HN 1.082 nan 8.150 nan 0.000 0.489 57 N N -0.017 118.716 118.700 0.056 0.000 2.686 57 N HA -0.184 4.556 4.740 -0.000 0.000 0.261 57 N C -0.690 174.839 175.510 0.032 0.000 1.001 57 N CA 0.927 54.004 53.050 0.045 0.000 0.764 57 N CB -1.003 37.499 38.487 0.025 0.000 0.898 57 N HN 0.760 nan 8.380 nan 0.000 0.544 58 Q N 0.056 119.887 119.800 0.052 0.000 2.433 58 Q HA 0.455 4.795 4.340 -0.000 0.000 0.279 58 Q C -0.308 175.727 176.000 0.059 0.000 1.105 58 Q CA -1.077 54.753 55.803 0.044 0.000 0.815 58 Q CB 1.908 30.680 28.738 0.056 0.000 1.403 58 Q HN 0.180 nan 8.270 nan 0.000 0.435 59 R N 0.859 121.382 120.500 0.039 0.000 2.638 59 R HA -0.015 4.325 4.340 -0.000 0.000 0.268 59 R C -0.144 176.205 176.300 0.082 0.000 1.006 59 R CA 0.136 56.273 56.100 0.062 0.000 1.088 59 R CB 0.027 30.345 30.300 0.030 0.000 0.950 59 R HN 0.560 nan 8.270 nan 0.000 0.419 60 H N 1.220 120.306 119.070 0.027 0.000 2.683 60 H HA 0.152 4.708 4.556 -0.000 0.000 0.339 60 H C -0.689 174.588 175.328 -0.084 0.000 1.081 60 H CA -0.232 55.812 56.048 -0.007 0.000 1.432 60 H CB 0.770 30.554 29.762 0.038 0.000 1.462 60 H HN 0.173 nan 8.280 nan 0.000 0.557 61 V N 6.457 126.064 119.914 -0.513 0.000 2.364 61 V HA 0.124 4.244 4.120 -0.000 0.000 0.272 61 V C -0.123 175.756 176.094 -0.358 0.000 1.036 61 V CA -0.781 61.190 62.300 -0.548 0.000 0.880 61 V CB 0.835 32.117 31.823 -0.902 0.000 0.991 61 V HN 0.847 nan 8.190 nan 0.000 0.460 62 N N 4.401 123.042 118.700 -0.098 0.000 2.485 62 N HA 0.238 4.977 4.740 -0.000 0.000 0.243 62 N C -1.143 174.476 175.510 0.181 0.000 0.987 62 N CA -0.317 52.828 53.050 0.159 0.000 0.940 62 N CB 1.664 40.340 38.487 0.314 0.000 1.122 62 N HN 0.694 nan 8.380 nan 0.000 0.509 63 Y N 3.340 123.704 120.300 0.106 0.000 2.434 63 Y HA 0.386 4.936 4.550 -0.000 0.000 0.341 63 Y C -0.193 175.922 175.900 0.358 0.000 0.965 63 Y CA -0.643 57.560 58.100 0.172 0.000 1.205 63 Y CB 0.453 38.995 38.460 0.136 0.000 1.121 63 Y HN 0.389 nan 8.280 nan 0.000 0.507 64 I N 5.489 126.104 120.570 0.076 0.000 2.307 64 I HA 0.289 4.459 4.170 -0.000 0.000 0.289 64 I C -0.148 176.025 176.117 0.093 0.000 1.021 64 I CA -0.320 61.116 61.300 0.227 0.000 1.224 64 I CB 0.999 39.119 38.000 0.201 0.000 1.376 64 I HN 0.476 nan 8.210 nan 0.000 0.470 65 S N 5.964 121.775 115.700 0.185 0.000 2.549 65 S HA 0.465 4.935 4.470 -0.000 0.000 0.280 65 S C 0.604 175.256 174.600 0.087 0.000 1.109 65 S CA -0.734 57.457 58.200 -0.016 0.000 0.905 65 S CB 2.006 64.972 63.200 -0.390 0.000 1.081 65 S HN 0.632 nan 8.310 nan 0.000 0.477 66 M N 1.994 121.647 119.600 0.089 0.000 2.492 66 M HA 0.074 4.554 4.480 -0.000 0.000 0.262 66 M C 0.243 176.574 176.300 0.050 0.000 1.090 66 M CA 0.989 56.335 55.300 0.076 0.000 1.110 66 M CB -0.432 32.101 32.600 -0.111 0.000 1.407 66 M HN 0.730 nan 8.290 nan 0.000 0.470 67 E N -0.661 119.499 120.200 -0.068 0.000 2.317 67 E HA 0.509 4.859 4.350 -0.000 0.000 0.270 67 E C -1.411 175.014 176.600 -0.291 0.000 0.885 67 E CA -0.700 55.667 56.400 -0.055 0.000 0.760 67 E CB 1.516 31.165 29.700 -0.085 0.000 1.227 67 E HN -0.035 nan 8.360 nan 0.000 0.434 68 F N 1.911 121.891 119.950 0.050 0.000 2.610 68 F HA 0.255 4.782 4.527 0.001 0.000 0.355 68 F C -0.682 175.091 175.800 -0.046 0.000 1.140 68 F CA -0.877 57.133 58.000 0.016 0.000 1.037 68 F CB 1.587 40.597 39.000 0.017 0.000 1.287 68 F HN 0.397 nan 8.300 nan 0.000 0.457 69 L N 5.983 127.246 121.223 0.067 0.000 2.466 69 L HA 0.337 4.677 4.340 -0.000 0.000 0.248 69 L C 1.151 178.029 176.870 0.012 0.000 1.240 69 L CA 0.302 55.143 54.840 0.001 0.000 1.180 69 L CB -0.520 41.530 42.059 -0.014 0.000 1.413 69 L HN 0.666 nan 8.230 nan 0.000 0.406 70 I N -0.293 120.267 120.570 -0.018 0.000 2.546 70 I HA 0.338 4.508 4.170 -0.000 0.000 0.255 70 I C 1.289 177.356 176.117 -0.084 0.000 1.163 70 I CA 0.435 61.712 61.300 -0.039 0.000 1.457 70 I CB -0.924 37.027 38.000 -0.081 0.000 1.092 70 I HN 0.553 nan 8.210 nan 0.000 0.434 71 G N 1.725 110.457 108.800 -0.115 0.000 2.855 71 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.352 71 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.352 71 G C -0.356 174.486 174.900 -0.096 0.000 1.415 71 G CA -0.348 44.682 45.100 -0.117 0.000 0.871 71 G HN 0.593 nan 8.290 nan 0.000 0.543 72 R N -0.598 119.867 120.500 -0.058 0.000 2.583 72 R HA 0.198 4.538 4.340 -0.000 0.000 0.274 72 R C 0.879 177.195 176.300 0.027 0.000 0.998 72 R CA -0.184 55.937 56.100 0.035 0.000 1.081 72 R CB 0.187 30.508 30.300 0.035 0.000 0.940 72 R HN 0.315 nan 8.270 nan 0.000 0.413 73 L N 2.304 123.593 121.223 0.110 0.000 2.515 73 L HA 0.037 4.377 4.340 -0.000 0.000 0.223 73 L C 1.942 178.774 176.870 -0.063 0.000 1.079 73 L CA 1.345 56.136 54.840 -0.082 0.000 0.857 73 L CB -0.340 41.554 42.059 -0.275 0.000 1.050 73 L HN 0.687 nan 8.230 nan 0.000 0.476 74 T N -0.493 114.246 114.554 0.308 0.000 2.674 74 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 74 T C 1.805 176.670 174.700 0.274 0.000 1.039 74 T CA 1.576 63.967 62.100 0.484 0.000 1.150 74 T CB -0.520 68.795 68.868 0.746 0.000 0.864 74 T HN 0.450 nan 8.240 nan 0.000 0.427 75 G N 1.192 110.135 108.800 0.238 0.000 2.418 75 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 75 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 75 G C 1.481 176.476 174.900 0.158 0.000 1.158 75 G CA 1.246 46.497 45.100 0.252 0.000 0.771 75 G HN 0.583 nan 8.290 nan 0.000 0.545 76 N N 0.872 119.590 118.700 0.030 0.000 2.104 76 N HA -0.136 4.604 4.740 -0.000 0.000 0.190 76 N C 1.988 177.451 175.510 -0.078 0.000 1.024 76 N CA 1.740 54.755 53.050 -0.058 0.000 0.853 76 N CB -0.193 38.217 38.487 -0.128 0.000 1.008 76 N HN 0.170 nan 8.380 nan 0.000 0.424 77 N N 0.095 118.713 118.700 -0.137 0.000 2.216 77 N HA -0.028 4.712 4.740 -0.000 0.000 0.183 77 N C 1.603 177.046 175.510 -0.112 0.000 1.017 77 N CA 0.602 53.524 53.050 -0.214 0.000 0.861 77 N CB -0.302 37.907 38.487 -0.463 0.000 0.986 77 N HN 0.311 nan 8.380 nan 0.000 0.428 78 L N 0.497 121.746 121.223 0.044 0.000 2.017 78 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 78 L C 2.303 179.236 176.870 0.104 0.000 1.073 78 L CA 0.874 55.786 54.840 0.119 0.000 0.745 78 L CB -0.416 41.774 42.059 0.219 0.000 0.894 78 L HN 0.187 nan 8.230 nan 0.000 0.432 79 L N -0.370 120.930 121.223 0.129 0.000 2.056 79 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 79 L C 2.196 179.067 176.870 0.002 0.000 1.078 79 L CA 1.483 56.365 54.840 0.070 0.000 0.749 79 L CB -0.265 41.811 42.059 0.028 0.000 0.901 79 L HN 0.276 nan 8.230 nan 0.000 0.433 80 N N -0.071 118.608 118.700 -0.034 0.000 2.270 80 N HA -0.094 4.646 4.740 -0.000 0.000 0.181 80 N C 1.781 177.139 175.510 -0.253 0.000 1.016 80 N CA 1.221 54.237 53.050 -0.058 0.000 0.870 80 N CB -0.240 38.218 38.487 -0.048 0.000 0.979 80 N HN 0.347 nan 8.380 nan 0.000 0.431 81 L N -0.871 120.161 121.223 -0.318 0.000 2.291 81 L HA 0.096 4.436 4.340 -0.000 0.000 0.214 81 L C 1.083 177.748 176.870 -0.341 0.000 1.120 81 L CA 0.590 55.116 54.840 -0.524 0.000 0.799 81 L CB -0.422 40.978 42.059 -1.098 0.000 0.925 81 L HN 0.240 nan 8.230 nan 0.000 0.446 82 G N -1.510 107.211 108.800 -0.132 0.000 2.182 82 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.248 82 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.248 82 G C -0.020 175.062 174.900 0.303 0.000 1.042 82 G CA 0.018 45.152 45.100 0.056 0.000 0.775 82 G HN 0.357 nan 8.290 nan 0.000 0.501 83 W N -1.336 119.940 121.300 -0.040 0.000 3.008 83 W HA 0.405 5.065 4.660 0.000 0.000 0.355 83 W C 1.572 177.967 176.519 -0.207 0.000 1.095 83 W CA -0.814 56.436 57.345 -0.157 0.000 1.738 83 W CB -0.782 28.631 29.460 -0.079 0.000 1.091 83 W HN 0.344 nan 8.180 nan 0.000 0.574 84 Y N 1.971 122.291 120.300 0.033 0.000 2.070 84 Y HA -0.341 4.209 4.550 -0.000 0.000 0.280 84 Y C 2.706 178.544 175.900 -0.103 0.000 1.148 84 Y CA 2.947 61.033 58.100 -0.024 0.000 1.125 84 Y CB -0.532 37.926 38.460 -0.004 0.000 0.975 84 Y HN -0.003 nan 8.280 nan 0.000 0.492 85 Q N 0.412 120.321 119.800 0.182 0.000 2.119 85 Q HA -0.173 4.167 4.340 -0.000 0.000 0.201 85 Q C 1.751 177.652 176.000 -0.165 0.000 0.972 85 Q CA 2.098 57.933 55.803 0.053 0.000 0.847 85 Q CB -0.369 28.403 28.738 0.056 0.000 0.903 85 Q HN 0.470 nan 8.270 nan 0.000 0.433 86 D N -0.632 119.570 120.400 -0.330 0.000 2.116 86 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 86 D C 1.852 177.694 176.300 -0.763 0.000 0.998 86 D CA 1.692 55.302 54.000 -0.650 0.000 0.836 86 D CB -0.179 39.841 40.800 -1.299 0.000 0.951 86 D HN 0.203 nan 8.370 nan 0.000 0.449 87 V N 0.711 120.150 119.914 -0.791 0.000 2.358 87 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 87 V C 2.603 178.470 176.094 -0.379 0.000 1.047 87 V CA 1.624 63.510 62.300 -0.690 0.000 1.035 87 V CB -0.511 30.981 31.823 -0.553 0.000 0.658 87 V HN 0.190 nan 8.190 nan 0.000 0.452 88 Q N -0.438 119.176 119.800 -0.311 0.000 2.170 88 Q HA -0.239 4.101 4.340 -0.000 0.000 0.203 88 Q C 1.822 177.767 176.000 -0.092 0.000 0.976 88 Q CA 1.844 57.542 55.803 -0.175 0.000 0.858 88 Q CB -0.032 28.638 28.738 -0.112 0.000 0.907 88 Q HN 0.629 nan 8.270 nan 0.000 0.433 89 D N -0.541 119.794 120.400 -0.108 0.000 2.103 89 D HA -0.081 4.559 4.640 -0.000 0.000 0.199 89 D C 1.983 178.287 176.300 0.007 0.000 0.978 89 D CA 1.162 55.133 54.000 -0.048 0.000 0.829 89 D CB -0.289 40.477 40.800 -0.058 0.000 0.981 89 D HN 0.100 nan 8.370 nan 0.000 0.464 90 S N 0.166 115.863 115.700 -0.004 0.000 2.387 90 S HA -0.096 4.374 4.470 -0.000 0.000 0.230 90 S C 1.954 176.733 174.600 0.300 0.000 1.035 90 S CA 0.677 58.977 58.200 0.167 0.000 1.014 90 S CB -0.169 63.124 63.200 0.156 0.000 0.836 90 S HN 0.249 nan 8.310 nan 0.000 0.466 91 L N 0.601 121.941 121.223 0.196 0.000 2.554 91 L HA 0.111 4.451 4.340 -0.000 0.000 0.226 91 L C 2.285 179.261 176.870 0.175 0.000 1.137 91 L CA 0.395 55.388 54.840 0.255 0.000 0.863 91 L CB -0.206 41.896 42.059 0.071 0.000 0.985 91 L HN 0.180 nan 8.230 nan 0.000 0.451 92 K N 0.808 121.271 120.400 0.106 0.000 2.026 92 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 92 K C 2.177 178.804 176.600 0.045 0.000 1.048 92 K CA 1.446 57.762 56.287 0.048 0.000 0.929 92 K CB -0.077 32.438 32.500 0.025 0.000 0.713 92 K HN 0.306 nan 8.250 nan 0.000 0.439 93 A N 0.165 123.009 122.820 0.039 0.000 2.024 93 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 93 A C 1.490 178.991 177.584 -0.137 0.000 1.164 93 A CA 1.303 53.292 52.037 -0.080 0.000 0.643 93 A CB -0.589 18.304 19.000 -0.179 0.000 0.806 93 A HN 0.385 nan 8.150 nan 0.000 0.451 94 Y N -0.419 119.916 120.300 0.059 0.000 2.466 94 Y HA 0.119 4.669 4.550 -0.000 0.000 0.272 94 Y C 0.025 175.907 175.900 -0.030 0.000 1.169 94 Y CA 0.054 58.197 58.100 0.071 0.000 1.285 94 Y CB 0.291 38.862 38.460 0.185 0.000 1.078 94 Y HN 0.318 nan 8.280 nan 0.000 0.523 95 D N 0.585 121.021 120.400 0.061 0.000 2.739 95 D HA -0.155 4.485 4.640 -0.000 0.000 0.240 95 D C -0.914 175.323 176.300 -0.105 0.000 1.114 95 D CA 0.599 54.591 54.000 -0.014 0.000 0.695 95 D CB -1.196 39.603 40.800 -0.001 0.000 1.078 95 D HN 0.157 nan 8.370 nan 0.000 0.434 96 I N 1.045 121.522 120.570 -0.155 0.000 2.418 96 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 96 I C 0.604 176.627 176.117 -0.157 0.000 1.008 96 I CA -0.714 60.410 61.300 -0.294 0.000 1.104 96 I CB 1.608 39.223 38.000 -0.642 0.000 1.264 96 I HN -0.088 nan 8.210 nan 0.000 0.438 97 N N 4.682 123.310 118.700 -0.120 0.000 2.406 97 N HA 0.141 4.881 4.740 -0.000 0.000 0.251 97 N C 1.004 176.485 175.510 -0.048 0.000 1.069 97 N CA -0.422 52.594 53.050 -0.057 0.000 0.947 97 N CB 0.943 39.414 38.487 -0.028 0.000 1.111 97 N HN 0.544 nan 8.380 nan 0.000 0.497 98 L N 3.658 124.855 121.223 -0.045 0.000 2.083 98 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 98 L C 1.878 178.763 176.870 0.025 0.000 1.083 98 L CA 1.903 56.712 54.840 -0.051 0.000 0.752 98 L CB -1.010 40.947 42.059 -0.170 0.000 0.899 98 L HN 0.657 nan 8.230 nan 0.000 0.433 99 T N -0.177 114.419 114.554 0.070 0.000 2.665 99 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 99 T C 1.464 176.215 174.700 0.084 0.000 1.035 99 T CA 1.893 64.062 62.100 0.113 0.000 1.151 99 T CB -0.299 68.632 68.868 0.105 0.000 0.862 99 T HN 0.479 nan 8.240 nan 0.000 0.438 100 D N 0.709 121.143 120.400 0.056 0.000 2.123 100 D HA 0.004 4.644 4.640 -0.000 0.000 0.200 100 D C 2.123 178.465 176.300 0.070 0.000 0.976 100 D CA 0.449 54.481 54.000 0.053 0.000 0.831 100 D CB -0.506 40.312 40.800 0.031 0.000 0.974 100 D HN 0.311 nan 8.370 nan 0.000 0.469 101 L N 0.717 121.983 121.223 0.072 0.000 2.079 101 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 101 L C 2.189 179.193 176.870 0.223 0.000 1.081 101 L CA 1.037 55.963 54.840 0.143 0.000 0.752 101 L CB -0.183 41.944 42.059 0.113 0.000 0.896 101 L HN -0.007 nan 8.230 nan 0.000 0.433 102 L N -0.323 121.014 121.223 0.190 0.000 2.191 102 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 102 L C 2.463 179.353 176.870 0.033 0.000 1.103 102 L CA 0.783 55.735 54.840 0.187 0.000 0.769 102 L CB -0.623 41.548 42.059 0.186 0.000 0.908 102 L HN 0.354 nan 8.230 nan 0.000 0.438 103 E N -0.017 120.202 120.200 0.031 0.000 2.347 103 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 103 E C 1.756 178.320 176.600 -0.061 0.000 1.008 103 E CA 0.464 56.862 56.400 -0.003 0.000 0.852 103 E CB 0.033 29.760 29.700 0.044 0.000 0.783 103 E HN 0.459 nan 8.360 nan 0.000 0.505 104 E N 0.980 121.127 120.200 -0.089 0.000 2.338 104 E HA -0.110 4.240 4.350 -0.000 0.000 0.197 104 E C 0.668 176.954 176.600 -0.523 0.000 1.007 104 E CA 0.315 56.618 56.400 -0.161 0.000 0.849 104 E CB -0.124 29.601 29.700 0.041 0.000 0.774 104 E HN 0.379 nan 8.360 nan 0.000 0.506 105 E N 1.001 120.726 120.200 -0.791 0.000 2.257 105 E HA 0.106 4.455 4.350 -0.000 0.000 0.278 105 E C -0.383 176.019 176.600 -0.330 0.000 1.049 105 E CA -0.200 55.635 56.400 -0.942 0.000 0.876 105 E CB 0.410 29.701 29.700 -0.681 0.000 1.035 105 E HN -0.011 nan 8.360 nan 0.000 0.419 106 I N 4.627 125.081 120.570 -0.193 0.000 2.396 106 I HA 0.013 4.183 4.170 -0.000 0.000 0.289 106 I C -0.111 176.016 176.117 0.017 0.000 1.056 106 I CA -0.535 60.753 61.300 -0.019 0.000 1.365 106 I CB 0.656 38.702 38.000 0.076 0.000 1.407 106 I HN 0.520 nan 8.210 nan 0.000 0.509 107 D N 9.114 129.487 120.400 -0.045 0.000 2.586 107 D HA 0.022 4.662 4.640 -0.000 0.000 0.234 107 D C -2.259 173.881 176.300 -0.267 0.000 1.132 107 D CA -0.393 53.537 54.000 -0.117 0.000 0.860 107 D CB 0.048 40.766 40.800 -0.138 0.000 1.159 107 D HN 0.228 nan 8.370 nan 0.000 0.490 108 P HA 0.008 nan 4.420 nan 0.000 0.258 108 P C -0.719 175.943 177.300 -1.063 0.000 1.172 108 P CA 0.198 62.538 63.100 -1.265 0.000 0.762 108 P CB 0.446 31.434 31.700 -1.186 0.000 0.764 109 A N 4.602 126.590 122.820 -1.387 0.000 3.056 109 A HA 0.205 4.525 4.320 -0.000 0.000 0.274 109 A C 0.713 178.058 177.584 -0.399 0.000 1.661 109 A CA -0.005 51.671 52.037 -0.602 0.000 1.363 109 A CB -1.056 17.792 19.000 -0.252 0.000 1.139 109 A HN 0.604 nan 8.150 nan 0.000 0.598 110 L N 0.506 121.534 121.223 -0.325 0.000 2.858 110 L HA 0.374 4.714 4.340 -0.000 0.000 0.251 110 L C 1.019 177.899 176.870 0.016 0.000 1.149 110 L CA 0.266 55.067 54.840 -0.064 0.000 0.955 110 L CB 0.605 42.593 42.059 -0.120 0.000 1.289 110 L HN 0.653 nan 8.230 nan 0.000 0.542 111 G N -1.160 107.582 108.800 -0.096 0.000 2.645 111 G HA2 0.247 4.207 3.960 -0.000 0.000 0.292 111 G HA3 0.247 4.207 3.960 -0.000 0.000 0.292 111 G C -0.600 174.244 174.900 -0.093 0.000 1.415 111 G CA -0.147 44.904 45.100 -0.080 0.000 0.785 111 G HN -0.171 nan 8.290 nan 0.000 0.483 112 N N -1.979 116.711 118.700 -0.016 0.000 2.979 112 N HA 0.343 5.083 4.740 -0.000 0.000 0.247 112 N C 0.938 176.474 175.510 0.044 0.000 1.012 112 N CA 1.358 54.428 53.050 0.033 0.000 1.061 112 N CB 0.761 39.366 38.487 0.197 0.000 1.677 112 N HN 0.921 nan 8.380 nan 0.000 0.558 113 G N -1.380 107.459 108.800 0.066 0.000 3.137 113 G HA2 0.391 4.350 3.960 -0.000 0.000 0.196 113 G HA3 0.391 4.350 3.960 -0.000 0.000 0.196 113 G C 0.601 175.512 174.900 0.018 0.000 1.135 113 G CA 0.132 45.263 45.100 0.053 0.000 0.803 113 G HN 0.248 nan 8.290 nan 0.000 0.619 114 G N -0.201 108.605 108.800 0.011 0.000 2.462 114 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.220 114 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.220 114 G C 1.718 176.576 174.900 -0.069 0.000 1.121 114 G CA 1.334 46.419 45.100 -0.024 0.000 0.758 114 G HN 0.406 nan 8.290 nan 0.000 0.559 115 L N 0.649 121.821 121.223 -0.085 0.000 2.044 115 L HA 0.223 4.563 4.340 -0.000 0.000 0.205 115 L C 2.914 179.681 176.870 -0.173 0.000 1.075 115 L CA 1.842 56.561 54.840 -0.202 0.000 0.747 115 L CB -0.613 41.326 42.059 -0.200 0.000 0.903 115 L HN 0.179 nan 8.230 nan 0.000 0.435 116 G N -0.648 108.091 108.800 -0.101 0.000 2.459 116 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.217 116 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.217 116 G C 1.673 176.523 174.900 -0.084 0.000 1.183 116 G CA 0.934 45.968 45.100 -0.112 0.000 0.776 116 G HN 0.277 nan 8.290 nan 0.000 0.552 117 R N 0.152 120.625 120.500 -0.044 0.000 2.115 117 R HA 0.162 4.502 4.340 -0.000 0.000 0.230 117 R C 2.427 178.700 176.300 -0.044 0.000 1.111 117 R CA 0.649 56.751 56.100 0.003 0.000 0.976 117 R CB -0.775 29.541 30.300 0.026 0.000 0.870 117 R HN 0.380 nan 8.270 nan 0.000 0.445 118 L N -0.416 120.714 121.223 -0.155 0.000 2.017 118 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 118 L C 1.974 178.539 176.870 -0.509 0.000 1.073 118 L CA 1.966 56.584 54.840 -0.370 0.000 0.745 118 L CB -0.840 40.974 42.059 -0.409 0.000 0.894 118 L HN 0.368 nan 8.230 nan 0.000 0.432 119 A N -0.246 122.389 122.820 -0.308 0.000 1.908 119 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 119 A C 2.434 180.022 177.584 0.007 0.000 1.181 119 A CA 1.893 53.809 52.037 -0.202 0.000 0.627 119 A CB -0.734 18.089 19.000 -0.295 0.000 0.818 119 A HN 0.557 nan 8.150 nan 0.000 0.445 120 A N -1.110 121.758 122.820 0.081 0.000 1.873 120 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 120 A C 2.334 179.983 177.584 0.109 0.000 1.186 120 A CA 1.645 53.773 52.037 0.152 0.000 0.616 120 A CB -1.301 17.775 19.000 0.128 0.000 0.823 120 A HN 0.595 nan 8.150 nan 0.000 0.442 121 C N -1.478 117.886 119.300 0.106 0.000 2.429 121 C HA -0.082 4.378 4.460 -0.000 0.000 0.277 121 C C 2.459 177.606 174.990 0.262 0.000 1.262 121 C CA 0.768 59.897 59.018 0.186 0.000 1.733 121 C CB -1.600 26.271 27.740 0.217 0.000 2.010 121 C HN 0.608 nan 8.230 nan 0.000 0.483 122 F N 1.148 121.090 119.950 -0.012 0.000 2.134 122 F HA -0.071 4.456 4.527 -0.001 0.000 0.299 122 F C 2.258 178.000 175.800 -0.097 0.000 1.097 122 F CA 1.016 58.967 58.000 -0.082 0.000 1.264 122 F CB -1.445 37.385 39.000 -0.283 0.000 1.001 122 F HN 0.192 nan 8.300 nan 0.000 0.479 123 L N -0.275 121.004 121.223 0.093 0.000 2.012 123 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 123 L C 2.432 179.313 176.870 0.018 0.000 1.073 123 L CA 2.031 56.886 54.840 0.024 0.000 0.748 123 L CB -0.822 41.254 42.059 0.028 0.000 0.891 123 L HN 0.195 nan 8.230 nan 0.000 0.431 124 D N -0.194 120.231 120.400 0.041 0.000 2.117 124 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 124 D C 2.053 178.370 176.300 0.028 0.000 0.987 124 D CA 1.652 55.662 54.000 0.018 0.000 0.829 124 D CB 0.286 41.098 40.800 0.021 0.000 0.961 124 D HN 0.221 nan 8.370 nan 0.000 0.460 125 S N -0.072 115.665 115.700 0.063 0.000 2.383 125 S HA -0.073 4.397 4.470 -0.000 0.000 0.227 125 S C 2.148 176.762 174.600 0.024 0.000 1.026 125 S CA 0.807 59.036 58.200 0.050 0.000 0.981 125 S CB -0.121 63.123 63.200 0.074 0.000 0.818 125 S HN 0.358 nan 8.310 nan 0.000 0.472 126 M N 0.961 120.569 119.600 0.014 0.000 2.117 126 M HA -0.096 4.383 4.480 -0.000 0.000 0.262 126 M C 2.519 178.806 176.300 -0.023 0.000 1.065 126 M CA 1.380 56.675 55.300 -0.009 0.000 1.114 126 M CB -0.619 31.951 32.600 -0.050 0.000 1.361 126 M HN 0.399 nan 8.290 nan 0.000 0.408 127 A N -0.071 122.733 122.820 -0.027 0.000 1.902 127 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 127 A C 2.191 179.762 177.584 -0.022 0.000 1.181 127 A CA 2.277 54.294 52.037 -0.034 0.000 0.623 127 A CB -1.118 17.858 19.000 -0.041 0.000 0.818 127 A HN 0.438 nan 8.150 nan 0.000 0.443 128 T N -0.409 114.145 114.554 -0.000 0.000 2.821 128 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 128 T C 1.696 176.405 174.700 0.015 0.000 1.046 128 T CA 1.741 63.855 62.100 0.022 0.000 1.139 128 T CB -0.357 68.534 68.868 0.038 0.000 0.871 128 T HN 0.662 nan 8.240 nan 0.000 0.454 129 V N -0.963 118.956 119.914 0.009 0.000 3.633 129 V HA 0.569 4.688 4.120 -0.000 0.000 0.283 129 V C 1.348 177.441 176.094 -0.001 0.000 1.305 129 V CA 0.221 62.525 62.300 0.007 0.000 1.153 129 V CB -0.923 30.909 31.823 0.016 0.000 0.950 129 V HN 0.500 nan 8.190 nan 0.000 0.432 130 G N 0.818 109.609 108.800 -0.015 0.000 2.221 130 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.265 130 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.265 130 G C 0.034 174.926 174.900 -0.014 0.000 1.041 130 G CA 0.589 45.673 45.100 -0.027 0.000 0.807 130 G HN 0.943 nan 8.290 nan 0.000 0.502 131 Q N 0.970 120.764 119.800 -0.011 0.000 2.323 131 Q HA 0.562 4.902 4.340 -0.000 0.000 0.257 131 Q C 0.670 176.628 176.000 -0.070 0.000 1.022 131 Q CA 0.235 56.028 55.803 -0.017 0.000 0.919 131 Q CB 0.747 29.492 28.738 0.011 0.000 1.220 131 Q HN 0.469 nan 8.270 nan 0.000 0.427 132 S N 3.150 118.816 115.700 -0.057 0.000 2.544 132 S HA 0.505 4.974 4.470 -0.000 0.000 0.290 132 S C -0.851 173.516 174.600 -0.389 0.000 1.276 132 S CA 0.462 58.622 58.200 -0.067 0.000 1.075 132 S CB -0.413 62.852 63.200 0.109 0.000 0.849 132 S HN 0.762 nan 8.310 nan 0.000 0.494 133 A N 4.289 126.862 122.820 -0.413 0.000 2.604 133 A HA 0.677 4.997 4.320 -0.000 0.000 0.295 133 A C -0.691 176.731 177.584 -0.270 0.000 1.067 133 A CA -0.801 50.885 52.037 -0.585 0.000 0.683 133 A CB 1.654 20.445 19.000 -0.349 0.000 1.281 133 A HN 0.648 nan 8.150 nan 0.000 0.407 134 T N 1.019 115.453 114.554 -0.201 0.000 2.841 134 T HA 0.630 4.979 4.350 -0.000 0.000 0.285 134 T C 0.291 174.842 174.700 -0.249 0.000 0.991 134 T CA 0.114 62.092 62.100 -0.203 0.000 0.966 134 T CB 1.636 70.361 68.868 -0.238 0.000 0.962 134 T HN 1.286 nan 8.240 nan 0.000 0.438 135 G N 1.636 110.282 108.800 -0.256 0.000 2.415 135 G HA2 0.527 4.487 3.960 -0.000 0.000 0.269 135 G HA3 0.527 4.487 3.960 -0.000 0.000 0.269 135 G C -1.422 173.302 174.900 -0.292 0.000 1.209 135 G CA -0.206 44.829 45.100 -0.109 0.000 0.835 135 G HN 0.615 nan 8.290 nan 0.000 0.534 136 Y N 0.875 121.308 120.300 0.221 0.000 2.326 136 Y HA 0.593 5.143 4.550 -0.000 0.000 0.331 136 Y C 0.764 176.890 175.900 0.376 0.000 0.962 136 Y CA -0.183 58.034 58.100 0.195 0.000 1.167 136 Y CB 2.301 40.936 38.460 0.291 0.000 1.148 136 Y HN 0.823 nan 8.280 nan 0.000 0.463 137 G N 2.324 111.349 108.800 0.375 0.000 3.135 137 G HA2 0.749 4.709 3.960 -0.000 0.000 0.278 137 G HA3 0.749 4.709 3.960 -0.000 0.000 0.278 137 G C -1.807 173.243 174.900 0.249 0.000 1.302 137 G CA -0.968 44.394 45.100 0.436 0.000 0.880 137 G HN 0.406 nan 8.290 nan 0.000 0.574 138 L N 0.331 121.603 121.223 0.082 0.000 2.365 138 L HA 0.423 4.763 4.340 -0.000 0.000 0.273 138 L C -0.201 176.458 176.870 -0.351 0.000 1.000 138 L CA -0.660 54.093 54.840 -0.145 0.000 0.819 138 L CB 2.356 44.163 42.059 -0.420 0.000 1.284 138 L HN 0.611 nan 8.230 nan 0.000 0.418 139 N N 2.302 120.909 118.700 -0.154 0.000 3.188 139 N HA 0.148 4.888 4.740 -0.000 0.000 0.279 139 N C -1.042 174.457 175.510 -0.018 0.000 1.213 139 N CA -0.542 52.498 53.050 -0.017 0.000 1.138 139 N CB 0.198 38.684 38.487 -0.001 0.000 1.417 139 N HN 0.352 nan 8.380 nan 0.000 0.526 140 Y N 1.016 121.440 120.300 0.207 0.000 2.721 140 Y HA -0.105 4.445 4.550 -0.000 0.000 0.329 140 Y C 1.820 177.862 175.900 0.237 0.000 1.211 140 Y CA 0.212 58.416 58.100 0.173 0.000 1.512 140 Y CB 0.487 39.025 38.460 0.131 0.000 1.249 140 Y HN 0.451 nan 8.280 nan 0.000 0.549 141 Q N 1.826 121.706 119.800 0.133 0.000 2.170 141 Q HA -0.175 4.165 4.340 -0.000 0.000 0.203 141 Q C -0.025 175.822 176.000 -0.256 0.000 0.976 141 Q CA 1.608 57.249 55.803 -0.271 0.000 0.858 141 Q CB 0.099 28.453 28.738 -0.640 0.000 0.907 141 Q HN 0.871 nan 8.270 nan 0.000 0.433 142 Y N -1.630 118.853 120.300 0.305 0.000 2.779 142 Y HA 0.312 4.861 4.550 -0.000 0.000 0.251 142 Y C 0.826 176.832 175.900 0.176 0.000 1.145 142 Y CA 0.021 58.261 58.100 0.232 0.000 1.201 142 Y CB 0.772 39.314 38.460 0.137 0.000 1.281 142 Y HN 0.223 nan 8.280 nan 0.000 0.563 143 G N 1.087 110.049 108.800 0.270 0.000 2.594 143 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.297 143 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.297 143 G C 0.822 175.691 174.900 -0.052 0.000 1.273 143 G CA 0.797 45.913 45.100 0.027 0.000 0.974 143 G HN 0.314 nan 8.290 nan 0.000 0.552 144 L N -0.153 121.014 121.223 -0.093 0.000 2.056 144 L HA 0.617 4.957 4.340 -0.000 0.000 0.202 144 L C 0.954 177.930 176.870 0.176 0.000 1.086 144 L CA 2.720 57.544 54.840 -0.026 0.000 0.758 144 L CB -0.151 41.828 42.059 -0.132 0.000 0.912 144 L HN 1.288 nan 8.230 nan 0.000 0.446 145 F N -2.957 117.000 119.950 0.012 0.000 2.829 145 F HA 0.353 4.879 4.527 -0.001 0.000 0.319 145 F C -0.728 175.074 175.800 0.003 0.000 1.153 145 F CA -1.522 56.485 58.000 0.012 0.000 0.912 145 F CB 0.510 39.510 39.000 0.000 0.000 1.292 145 F HN -0.139 nan 8.300 nan 0.000 0.447 146 R N 2.323 122.947 120.500 0.205 0.000 2.207 146 R HA 0.369 4.709 4.340 -0.000 0.000 0.334 146 R C -0.915 175.500 176.300 0.192 0.000 1.013 146 R CA -0.417 55.736 56.100 0.088 0.000 0.858 146 R CB 1.247 31.586 30.300 0.065 0.000 1.094 146 R HN 0.891 nan 8.270 nan 0.000 0.457 147 Q N 3.015 122.867 119.800 0.087 0.000 2.256 147 Q HA 0.246 4.586 4.340 -0.000 0.000 0.254 147 Q C -1.077 174.818 176.000 -0.176 0.000 0.916 147 Q CA -0.300 55.548 55.803 0.075 0.000 0.932 147 Q CB 1.274 30.015 28.738 0.006 0.000 1.207 147 Q HN 0.859 nan 8.270 nan 0.000 0.426 148 S N 2.331 117.901 115.700 -0.217 0.000 2.740 148 S HA 0.738 5.208 4.470 -0.000 0.000 0.300 148 S C -1.099 173.294 174.600 -0.345 0.000 1.147 148 S CA -0.756 57.231 58.200 -0.355 0.000 0.871 148 S CB 0.987 64.101 63.200 -0.143 0.000 1.173 148 S HN 0.393 nan 8.310 nan 0.000 0.510 149 F N 0.152 120.068 119.950 -0.056 0.000 2.529 149 F HA 0.717 5.243 4.527 -0.000 0.000 0.320 149 F C -0.630 175.142 175.800 -0.047 0.000 1.118 149 F CA -1.338 56.615 58.000 -0.078 0.000 0.915 149 F CB 2.080 41.011 39.000 -0.113 0.000 1.161 149 F HN 0.428 nan 8.300 nan 0.000 0.445 150 V N 3.037 123.039 119.914 0.147 0.000 2.524 150 V HA 0.278 4.398 4.120 -0.000 0.000 0.297 150 V C -0.774 175.342 176.094 0.038 0.000 1.035 150 V CA -1.281 61.057 62.300 0.064 0.000 0.867 150 V CB 1.638 33.474 31.823 0.021 0.000 1.004 150 V HN 0.802 nan 8.190 nan 0.000 0.426 151 D N 4.134 124.563 120.400 0.048 0.000 2.701 151 D HA -0.221 4.418 4.640 -0.000 0.000 0.235 151 D C 1.310 177.682 176.300 0.121 0.000 1.155 151 D CA 1.550 55.589 54.000 0.065 0.000 0.649 151 D CB -1.018 39.802 40.800 0.032 0.000 1.050 151 D HN 1.487 nan 8.370 nan 0.000 0.425 152 G N -0.739 108.120 108.800 0.098 0.000 2.179 152 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.260 152 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.260 152 G C 0.274 175.197 174.900 0.038 0.000 0.977 152 G CA 0.804 45.957 45.100 0.089 0.000 0.641 152 G HN 0.510 nan 8.290 nan 0.000 0.533 153 K N 0.214 120.616 120.400 0.002 0.000 2.203 153 K HA 0.485 4.805 4.320 -0.000 0.000 0.251 153 K C 0.318 176.980 176.600 0.103 0.000 0.944 153 K CA -0.742 55.516 56.287 -0.049 0.000 0.829 153 K CB 1.595 33.963 32.500 -0.220 0.000 1.125 153 K HN 0.245 nan 8.250 nan 0.000 0.430 154 Q N 2.035 121.906 119.800 0.119 0.000 2.263 154 Q HA 0.056 4.396 4.340 -0.000 0.000 0.289 154 Q C -1.021 174.997 176.000 0.030 0.000 1.061 154 Q CA -0.023 55.888 55.803 0.179 0.000 0.927 154 Q CB 0.530 29.343 28.738 0.124 0.000 1.154 154 Q HN 0.272 nan 8.270 nan 0.000 0.378 155 V N 4.629 124.549 119.914 0.011 0.000 2.483 155 V HA 0.265 4.385 4.120 -0.000 0.000 0.295 155 V C -0.760 175.270 176.094 -0.106 0.000 1.035 155 V CA -0.682 61.581 62.300 -0.062 0.000 0.896 155 V CB 1.842 33.643 31.823 -0.036 0.000 0.986 155 V HN 0.825 nan 8.190 nan 0.000 0.447 156 E N 2.990 123.057 120.200 -0.221 0.000 2.134 156 E HA 0.708 5.058 4.350 -0.000 0.000 0.278 156 E C -0.289 176.259 176.600 -0.087 0.000 0.959 156 E CA -0.135 56.083 56.400 -0.304 0.000 0.783 156 E CB 1.760 31.023 29.700 -0.729 0.000 1.095 156 E HN 0.869 nan 8.360 nan 0.000 0.399 157 A N 4.046 126.896 122.820 0.051 0.000 2.384 157 A HA 0.730 5.050 4.320 -0.000 0.000 0.312 157 A C -2.556 175.067 177.584 0.064 0.000 1.113 157 A CA -2.073 49.979 52.037 0.025 0.000 0.779 157 A CB 0.798 19.808 19.000 0.017 0.000 1.307 157 A HN 0.386 nan 8.150 nan 0.000 0.436 158 P HA 0.087 nan 4.420 nan 0.000 0.264 158 P C -0.882 176.476 177.300 0.098 0.000 1.193 158 P CA 0.338 63.398 63.100 -0.067 0.000 0.763 158 P CB 0.405 31.829 31.700 -0.460 0.000 0.810 159 D N 2.333 122.864 120.400 0.217 0.000 2.563 159 D HA 0.030 4.670 4.640 -0.000 0.000 0.222 159 D C -0.484 176.024 176.300 0.346 0.000 1.145 159 D CA -0.120 54.007 54.000 0.212 0.000 1.001 159 D CB -0.652 40.222 40.800 0.123 0.000 1.049 159 D HN 0.142 nan 8.370 nan 0.000 0.515 160 D N 2.284 122.868 120.400 0.306 0.000 2.343 160 D HA -0.030 4.610 4.640 -0.000 0.000 0.255 160 D C 0.560 176.897 176.300 0.060 0.000 1.187 160 D CA -0.373 53.773 54.000 0.243 0.000 0.875 160 D CB 0.360 41.267 40.800 0.179 0.000 1.136 160 D HN 0.478 nan 8.370 nan 0.000 0.469 161 W N 4.563 125.756 121.300 -0.178 0.000 2.653 161 W HA 0.184 4.844 4.660 0.000 0.000 0.391 161 W C -0.476 176.003 176.519 -0.066 0.000 0.962 161 W CA -0.429 56.814 57.345 -0.169 0.000 1.900 161 W CB -1.087 28.331 29.460 -0.071 0.000 1.176 161 W HN 0.439 nan 8.180 nan 0.000 0.582 162 H N 0.923 119.900 119.070 -0.154 0.000 2.770 162 H HA -0.232 4.324 4.556 0.000 0.000 0.309 162 H C 1.841 176.915 175.328 -0.424 0.000 1.206 162 H CA 1.351 57.290 56.048 -0.182 0.000 1.147 162 H CB -1.879 27.917 29.762 0.057 0.000 1.422 162 H HN 0.394 nan 8.280 nan 0.000 0.420 163 R N 1.091 120.981 120.500 -1.017 0.000 2.159 163 R HA -0.224 4.116 4.340 -0.000 0.000 0.249 163 R C 2.050 178.028 176.300 -0.537 0.000 1.136 163 R CA 2.742 58.007 56.100 -1.391 0.000 0.951 163 R CB -0.162 29.351 30.300 -1.312 0.000 0.876 163 R HN 0.447 nan 8.270 nan 0.000 0.440 164 S N -0.657 114.785 115.700 -0.430 0.000 2.561 164 S HA 0.066 4.536 4.470 -0.000 0.000 0.225 164 S C 0.997 175.558 174.600 -0.065 0.000 0.977 164 S CA 0.394 58.377 58.200 -0.362 0.000 0.926 164 S CB 0.137 63.131 63.200 -0.344 0.000 0.769 164 S HN 0.386 nan 8.310 nan 0.000 0.533 165 N N 0.345 119.063 118.700 0.031 0.000 2.203 165 N HA 0.148 4.888 4.740 -0.000 0.000 0.207 165 N C -0.772 174.875 175.510 0.229 0.000 1.130 165 N CA -0.175 52.946 53.050 0.119 0.000 0.861 165 N CB 0.138 38.666 38.487 0.069 0.000 1.005 165 N HN 0.472 nan 8.380 nan 0.000 0.507 166 Y N 4.328 124.772 120.300 0.241 0.000 2.650 166 Y HA 0.067 4.617 4.550 0.000 0.000 0.331 166 Y C -1.171 174.900 175.900 0.285 0.000 1.165 166 Y CA -1.293 57.019 58.100 0.354 0.000 1.473 166 Y CB 0.942 39.653 38.460 0.417 0.000 1.224 166 Y HN 0.079 nan 8.280 nan 0.000 0.533 167 P HA -0.128 nan 4.420 nan 0.000 0.229 167 P C 0.497 177.523 177.300 -0.456 0.000 1.160 167 P CA 1.338 64.144 63.100 -0.490 0.000 0.777 167 P CB 0.004 31.195 31.700 -0.848 0.000 0.814 168 W N -1.497 119.612 121.300 -0.318 0.000 3.256 168 W HA 0.193 4.853 4.660 0.000 0.000 0.269 168 W C 0.609 177.196 176.519 0.113 0.000 1.310 168 W CA -0.619 56.684 57.345 -0.070 0.000 1.673 168 W CB -0.409 29.041 29.460 -0.018 0.000 1.115 168 W HN -0.250 nan 8.180 nan 0.000 0.686 169 F N 2.227 122.430 119.950 0.421 0.000 2.418 169 F HA 0.260 4.787 4.527 -0.000 0.000 0.341 169 F C 1.147 177.090 175.800 0.239 0.000 1.120 169 F CA -0.838 57.410 58.000 0.413 0.000 1.232 169 F CB 0.475 39.817 39.000 0.570 0.000 1.175 169 F HN -0.142 nan 8.300 nan 0.000 0.569 170 R N 1.366 122.120 120.500 0.424 0.000 2.867 170 R HA 0.641 4.981 4.340 -0.000 0.000 0.268 170 R C -1.950 174.312 176.300 -0.064 0.000 1.014 170 R CA -0.961 55.227 56.100 0.147 0.000 0.946 170 R CB 1.875 32.225 30.300 0.084 0.000 1.208 170 R HN 0.659 nan 8.270 nan 0.000 0.477 171 H N 0.969 119.809 119.070 -0.384 0.000 3.177 171 H HA 0.275 4.831 4.556 -0.000 0.000 0.314 171 H C -1.641 173.441 175.328 -0.411 0.000 1.059 171 H CA -0.836 54.802 56.048 -0.684 0.000 1.515 171 H CB 0.996 29.891 29.762 -1.445 0.000 1.672 171 H HN 0.687 nan 8.280 nan 0.000 0.514 172 N N 3.620 122.000 118.700 -0.533 0.000 2.469 172 N HA 0.023 4.763 4.740 -0.000 0.000 0.239 172 N C 0.946 176.117 175.510 -0.565 0.000 1.053 172 N CA -0.008 52.767 53.050 -0.457 0.000 0.937 172 N CB 0.622 38.970 38.487 -0.232 0.000 1.163 172 N HN 0.908 nan 8.380 nan 0.000 0.509 173 E N 2.445 122.215 120.200 -0.717 0.000 2.284 173 E HA -0.237 4.113 4.350 -0.000 0.000 0.200 173 E C 1.085 177.592 176.600 -0.154 0.000 1.008 173 E CA 1.466 57.621 56.400 -0.408 0.000 0.829 173 E CB -0.114 29.426 29.700 -0.266 0.000 0.744 173 E HN 0.501 nan 8.360 nan 0.000 0.491 174 A N 1.022 123.757 122.820 -0.143 0.000 2.206 174 A HA 0.089 4.409 4.320 -0.000 0.000 0.211 174 A C 1.963 179.536 177.584 -0.020 0.000 1.158 174 A CA 0.399 52.394 52.037 -0.070 0.000 0.761 174 A CB -0.282 18.675 19.000 -0.072 0.000 0.801 174 A HN 0.298 nan 8.150 nan 0.000 0.473 175 L N -0.244 120.978 121.223 -0.002 0.000 2.592 175 L HA 0.078 4.418 4.340 -0.000 0.000 0.227 175 L C -0.330 176.657 176.870 0.196 0.000 1.127 175 L CA -0.422 54.477 54.840 0.099 0.000 0.884 175 L CB -0.384 41.732 42.059 0.096 0.000 1.065 175 L HN 0.151 nan 8.230 nan 0.000 0.457 176 D N 1.045 121.531 120.400 0.144 0.000 2.449 176 D HA 0.135 4.774 4.640 -0.000 0.000 0.236 176 D C -0.055 176.293 176.300 0.079 0.000 1.149 176 D CA 0.513 54.613 54.000 0.167 0.000 0.878 176 D CB 1.886 42.751 40.800 0.109 0.000 1.198 176 D HN -0.169 nan 8.370 nan 0.000 0.446 177 V N 1.425 121.355 119.914 0.028 0.000 2.709 177 V HA 0.279 4.399 4.120 -0.000 0.000 0.308 177 V C -1.290 174.758 176.094 -0.076 0.000 1.062 177 V CA -0.818 61.433 62.300 -0.082 0.000 0.901 177 V CB 2.044 33.733 31.823 -0.224 0.000 1.003 177 V HN 0.298 nan 8.190 nan 0.000 0.425 178 Q N 4.097 123.850 119.800 -0.080 0.000 2.279 178 Q HA 0.543 4.883 4.340 -0.000 0.000 0.256 178 Q C -0.925 175.029 176.000 -0.076 0.000 0.937 178 Q CA -0.212 55.543 55.803 -0.079 0.000 0.933 178 Q CB 1.840 30.524 28.738 -0.090 0.000 1.189 178 Q HN 0.690 nan 8.270 nan 0.000 0.417 179 V N 1.941 121.832 119.914 -0.038 0.000 2.443 179 V HA 0.508 4.628 4.120 -0.000 0.000 0.293 179 V C 0.412 176.549 176.094 0.073 0.000 1.021 179 V CA -0.848 61.464 62.300 0.019 0.000 0.848 179 V CB 1.778 33.644 31.823 0.071 0.000 0.998 179 V HN 0.841 nan 8.190 nan 0.000 0.424 180 G N 3.539 112.373 108.800 0.056 0.000 2.476 180 G HA2 0.758 4.718 3.960 -0.000 0.000 0.286 180 G HA3 0.758 4.718 3.960 -0.000 0.000 0.286 180 G C -1.024 174.075 174.900 0.332 0.000 1.177 180 G CA -0.341 44.737 45.100 -0.036 0.000 0.870 180 G HN 0.662 nan 8.290 nan 0.000 0.528 181 I N -0.830 119.925 120.570 0.308 0.000 2.908 181 I HA 0.555 4.725 4.170 -0.000 0.000 0.300 181 I C 0.605 176.947 176.117 0.375 0.000 1.385 181 I CA 0.667 62.233 61.300 0.444 0.000 1.004 181 I CB 1.838 40.077 38.000 0.398 0.000 1.309 181 I HN 1.335 nan 8.210 nan 0.000 0.449 182 G N 3.673 112.678 108.800 0.340 0.000 2.552 182 G HA2 0.258 4.218 3.960 -0.000 0.000 0.265 182 G HA3 0.258 4.218 3.960 -0.000 0.000 0.265 182 G C 0.673 175.789 174.900 0.359 0.000 1.234 182 G CA 0.082 45.339 45.100 0.262 0.000 0.944 182 G HN 2.316 nan 8.290 nan 0.000 0.568 183 G N -0.539 108.409 108.800 0.246 0.000 2.539 183 G HA2 0.313 4.273 3.960 -0.000 0.000 0.256 183 G HA3 0.313 4.273 3.960 -0.000 0.000 0.256 183 G C 0.041 175.090 174.900 0.247 0.000 1.233 183 G CA 1.788 47.030 45.100 0.238 0.000 0.936 183 G HN 2.519 nan 8.290 nan 0.000 0.571 184 K N -1.720 118.849 120.400 0.282 0.000 2.556 184 K HA 0.750 5.070 4.320 -0.000 0.000 0.274 184 K C -0.710 176.054 176.600 0.274 0.000 0.966 184 K CA -0.755 55.660 56.287 0.214 0.000 0.865 184 K CB 2.086 34.667 32.500 0.134 0.000 1.444 184 K HN 1.060 nan 8.250 nan 0.000 0.433 185 V N 0.056 120.072 119.914 0.170 0.000 3.177 185 V HA 0.452 4.572 4.120 -0.000 0.000 0.319 185 V C 0.770 176.922 176.094 0.097 0.000 1.125 185 V CA -0.574 61.816 62.300 0.150 0.000 1.029 185 V CB 1.426 33.293 31.823 0.074 0.000 1.119 185 V HN 1.081 nan 8.190 nan 0.000 0.452 186 T N -0.698 113.907 114.554 0.085 0.000 2.833 186 T HA 0.300 4.649 4.350 -0.000 0.000 0.312 186 T C 0.766 175.492 174.700 0.043 0.000 1.085 186 T CA -0.128 62.007 62.100 0.059 0.000 0.955 186 T CB 0.430 69.332 68.868 0.057 0.000 1.353 186 T HN 0.421 nan 8.240 nan 0.000 0.544 187 K N 0.876 121.297 120.400 0.035 0.000 2.211 187 K HA 0.080 4.399 4.320 -0.000 0.000 0.201 187 K C 1.487 178.106 176.600 0.032 0.000 1.052 187 K CA 0.782 57.085 56.287 0.027 0.000 0.973 187 K CB -0.396 32.116 32.500 0.020 0.000 0.766 187 K HN 0.824 nan 8.250 nan 0.000 0.466 188 D N -0.566 119.856 120.400 0.036 0.000 2.856 188 D HA 0.060 4.700 4.640 -0.000 0.000 0.242 188 D C 0.687 177.017 176.300 0.051 0.000 1.226 188 D CA 0.610 54.634 54.000 0.040 0.000 0.855 188 D CB -0.161 40.661 40.800 0.035 0.000 1.065 188 D HN 0.256 nan 8.370 nan 0.000 0.462 189 G N 1.433 110.267 108.800 0.057 0.000 2.320 189 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.242 189 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.242 189 G C 0.556 175.514 174.900 0.095 0.000 1.033 189 G CA -0.126 45.015 45.100 0.068 0.000 0.620 189 G HN 0.511 nan 8.290 nan 0.000 0.517 190 R N 0.121 120.681 120.500 0.099 0.000 2.296 190 R HA 0.333 4.672 4.340 -0.000 0.000 0.323 190 R C -0.285 176.140 176.300 0.209 0.000 1.067 190 R CA -0.720 55.456 56.100 0.128 0.000 0.946 190 R CB 0.096 30.448 30.300 0.086 0.000 0.991 190 R HN 0.268 nan 8.270 nan 0.000 0.448 191 W N 5.099 126.411 121.300 0.021 0.000 2.335 191 W HA 0.136 4.796 4.660 0.001 0.000 0.306 191 W C -0.807 175.733 176.519 0.035 0.000 1.216 191 W CA -1.010 56.352 57.345 0.028 0.000 1.237 191 W CB 0.657 30.134 29.460 0.028 0.000 1.243 191 W HN 0.526 nan 8.180 nan 0.000 0.493 192 E N 8.172 128.473 120.200 0.168 0.000 2.173 192 E HA 0.208 4.558 4.350 -0.000 0.000 0.249 192 E C -2.157 174.366 176.600 -0.129 0.000 0.923 192 E CA -1.806 54.560 56.400 -0.056 0.000 0.754 192 E CB 0.901 30.627 29.700 0.044 0.000 1.177 192 E HN 0.120 nan 8.360 nan 0.000 0.430 193 P HA -0.084 nan 4.420 nan 0.000 0.270 193 P C 0.459 177.749 177.300 -0.017 0.000 1.223 193 P CA 0.141 63.095 63.100 -0.242 0.000 0.785 193 P CB 0.640 32.052 31.700 -0.480 0.000 0.923 194 E N 0.857 121.123 120.200 0.110 0.000 2.452 194 E HA 0.093 4.443 4.350 -0.000 0.000 0.197 194 E C -0.413 176.331 176.600 0.240 0.000 1.022 194 E CA 0.181 56.668 56.400 0.144 0.000 0.890 194 E CB 0.099 29.890 29.700 0.152 0.000 0.918 194 E HN 0.333 nan 8.360 nan 0.000 0.496 195 F N 1.096 121.075 119.950 0.048 0.000 2.596 195 F HA 0.377 4.904 4.527 -0.000 0.000 0.311 195 F C -1.502 174.339 175.800 0.070 0.000 1.116 195 F CA -0.516 57.536 58.000 0.087 0.000 0.957 195 F CB 2.434 41.494 39.000 0.099 0.000 1.250 195 F HN -0.274 nan 8.300 nan 0.000 0.444 196 T N 6.939 121.251 114.554 -0.403 0.000 2.809 196 T HA 0.587 4.937 4.350 -0.000 0.000 0.284 196 T C -0.437 173.973 174.700 -0.483 0.000 0.992 196 T CA -0.347 61.561 62.100 -0.320 0.000 0.957 196 T CB 1.094 69.802 68.868 -0.268 0.000 0.942 196 T HN 0.381 nan 8.240 nan 0.000 0.439 197 I N 2.708 123.153 120.570 -0.209 0.000 2.331 197 I HA 0.261 4.431 4.170 -0.000 0.000 0.292 197 I C 0.584 176.666 176.117 -0.059 0.000 0.998 197 I CA -0.455 60.776 61.300 -0.115 0.000 1.267 197 I CB 1.334 39.352 38.000 0.030 0.000 1.386 197 I HN 0.495 nan 8.210 nan 0.000 0.476 198 T N 5.233 119.737 114.554 -0.083 0.000 2.729 198 T HA 0.345 4.695 4.350 -0.000 0.000 0.296 198 T C 0.428 175.227 174.700 0.165 0.000 0.928 198 T CA -0.550 61.552 62.100 0.004 0.000 1.045 198 T CB 0.716 69.548 68.868 -0.060 0.000 0.902 198 T HN 0.786 nan 8.240 nan 0.000 0.500 199 G N 3.168 112.126 108.800 0.263 0.000 2.325 199 G HA2 0.465 4.425 3.960 -0.000 0.000 0.298 199 G HA3 0.465 4.425 3.960 -0.000 0.000 0.298 199 G C -0.530 174.636 174.900 0.442 0.000 1.134 199 G CA -0.580 44.796 45.100 0.459 0.000 0.876 199 G HN 0.629 nan 8.290 nan 0.000 0.452 200 Q N 0.327 120.438 119.800 0.518 0.000 2.274 200 Q HA 0.574 4.914 4.340 -0.000 0.000 0.260 200 Q C -0.206 176.053 176.000 0.431 0.000 0.974 200 Q CA -0.739 55.321 55.803 0.428 0.000 0.876 200 Q CB 2.499 31.393 28.738 0.260 0.000 1.297 200 Q HN 0.645 nan 8.270 nan 0.000 0.446 201 A N 2.343 125.277 122.820 0.189 0.000 2.269 201 A HA 0.423 4.743 4.320 -0.000 0.000 0.302 201 A C -1.549 175.866 177.584 -0.282 0.000 1.266 201 A CA -0.359 51.544 52.037 -0.223 0.000 0.894 201 A CB 0.076 18.866 19.000 -0.350 0.000 1.147 201 A HN 0.668 nan 8.150 nan 0.000 0.537 202 W N 2.105 123.265 121.300 -0.233 0.000 2.318 202 W HA 0.434 5.094 4.660 -0.000 0.000 0.315 202 W C -0.894 175.661 176.519 0.060 0.000 1.033 202 W CA -0.230 56.984 57.345 -0.218 0.000 1.275 202 W CB 1.571 30.653 29.460 -0.631 0.000 1.250 202 W HN 0.546 nan 8.180 nan 0.000 0.421 203 D N 3.625 124.205 120.400 0.300 0.000 2.217 203 D HA 0.466 5.106 4.640 -0.000 0.000 0.243 203 D C -0.500 176.024 176.300 0.373 0.000 1.054 203 D CA -0.373 53.758 54.000 0.219 0.000 0.838 203 D CB 1.856 42.686 40.800 0.050 0.000 1.162 203 D HN 0.157 nan 8.370 nan 0.000 0.472 204 L N 3.341 124.674 121.223 0.183 0.000 2.334 204 L HA 0.445 4.785 4.340 -0.000 0.000 0.276 204 L C -2.283 174.595 176.870 0.012 0.000 1.014 204 L CA -1.870 53.017 54.840 0.079 0.000 0.815 204 L CB 2.267 44.292 42.059 -0.056 0.000 1.268 204 L HN 0.104 nan 8.230 nan 0.000 0.428 205 P HA 0.210 nan 4.420 nan 0.000 0.290 205 P C -0.976 176.251 177.300 -0.120 0.000 1.276 205 P CA -0.408 62.672 63.100 -0.034 0.000 0.808 205 P CB 1.666 33.377 31.700 0.019 0.000 0.966 206 V N 4.390 124.241 119.914 -0.106 0.000 2.350 206 V HA 0.199 4.319 4.120 -0.000 0.000 0.276 206 V C 0.409 176.436 176.094 -0.112 0.000 1.028 206 V CA -0.655 61.573 62.300 -0.119 0.000 0.860 206 V CB 1.595 33.361 31.823 -0.096 0.000 0.990 206 V HN 0.268 nan 8.190 nan 0.000 0.453 207 V N 4.706 124.535 119.914 -0.141 0.000 2.350 207 V HA 0.541 4.661 4.120 -0.000 0.000 0.276 207 V C 1.045 177.081 176.094 -0.097 0.000 1.028 207 V CA -0.298 61.918 62.300 -0.139 0.000 0.860 207 V CB 1.325 33.027 31.823 -0.202 0.000 0.990 207 V HN 0.960 nan 8.190 nan 0.000 0.453 208 G N 2.869 111.620 108.800 -0.081 0.000 2.594 208 G HA2 0.173 4.133 3.960 -0.000 0.000 0.243 208 G HA3 0.173 4.133 3.960 -0.000 0.000 0.243 208 G C -0.767 174.116 174.900 -0.028 0.000 1.229 208 G CA -0.141 44.934 45.100 -0.043 0.000 0.843 208 G HN 0.686 nan 8.290 nan 0.000 0.578 209 Y N 2.180 122.415 120.300 -0.110 0.000 2.486 209 Y HA 0.292 4.843 4.550 0.000 0.000 0.348 209 Y C 1.177 177.009 175.900 -0.113 0.000 1.000 209 Y CA -0.673 57.355 58.100 -0.120 0.000 1.253 209 Y CB 0.321 38.711 38.460 -0.118 0.000 1.140 209 Y HN 0.634 nan 8.280 nan 0.000 0.526 210 R N 2.759 122.926 120.500 -0.554 0.000 3.758 210 R HA -0.264 4.076 4.340 -0.000 0.000 0.299 210 R C -0.130 176.028 176.300 -0.236 0.000 1.182 210 R CA 1.150 56.969 56.100 -0.469 0.000 0.809 210 R CB -2.577 27.310 30.300 -0.688 0.000 1.249 210 R HN 0.880 nan 8.270 nan 0.000 0.497 211 N N -1.826 116.774 118.700 -0.168 0.000 2.143 211 N HA 0.124 4.864 4.740 -0.000 0.000 0.222 211 N C 1.024 176.465 175.510 -0.114 0.000 1.264 211 N CA 0.663 53.644 53.050 -0.114 0.000 0.897 211 N CB 0.443 38.881 38.487 -0.080 0.000 1.092 211 N HN 0.298 nan 8.380 nan 0.000 0.516 212 G N 0.128 108.853 108.800 -0.125 0.000 2.168 212 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.263 212 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.263 212 G C -0.276 174.548 174.900 -0.126 0.000 0.977 212 G CA 0.550 45.581 45.100 -0.115 0.000 0.659 212 G HN 0.313 nan 8.290 nan 0.000 0.533 213 V N 0.552 120.391 119.914 -0.126 0.000 2.583 213 V HA 0.696 4.816 4.120 -0.000 0.000 0.287 213 V C 0.634 176.677 176.094 -0.085 0.000 1.051 213 V CA 0.314 62.542 62.300 -0.120 0.000 1.010 213 V CB 1.523 33.283 31.823 -0.106 0.000 0.988 213 V HN 1.393 nan 8.190 nan 0.000 0.478 214 A N 5.481 128.273 122.820 -0.047 0.000 2.402 214 A HA 0.752 5.072 4.320 -0.000 0.000 0.291 214 A C -0.663 176.930 177.584 0.016 0.000 1.051 214 A CA -0.713 51.309 52.037 -0.025 0.000 0.716 214 A CB 1.367 20.363 19.000 -0.007 0.000 1.223 214 A HN 0.844 nan 8.150 nan 0.000 0.425 215 Q N 2.121 121.914 119.800 -0.011 0.000 2.451 215 Q HA 0.772 5.112 4.340 -0.000 0.000 0.281 215 Q C -2.983 172.990 176.000 -0.045 0.000 1.099 215 Q CA -2.374 53.429 55.803 0.002 0.000 0.806 215 Q CB 2.708 31.454 28.738 0.013 0.000 1.419 215 Q HN 0.403 nan 8.270 nan 0.000 0.427 216 P HA 0.143 nan 4.420 nan 0.000 0.284 216 P C -1.079 176.103 177.300 -0.196 0.000 1.253 216 P CA -0.566 62.470 63.100 -0.107 0.000 0.800 216 P CB 0.797 32.434 31.700 -0.106 0.000 0.961 217 L N 3.925 125.021 121.223 -0.212 0.000 2.259 217 L HA 0.421 4.761 4.340 -0.000 0.000 0.288 217 L C 0.182 176.874 176.870 -0.297 0.000 1.051 217 L CA -0.576 54.055 54.840 -0.349 0.000 0.824 217 L CB -0.076 41.752 42.059 -0.383 0.000 1.206 217 L HN 0.303 nan 8.230 nan 0.000 0.429 218 R N 5.429 125.693 120.500 -0.392 0.000 2.207 218 R HA 0.552 4.892 4.340 -0.000 0.000 0.334 218 R C -1.430 174.627 176.300 -0.405 0.000 1.013 218 R CA -0.371 55.492 56.100 -0.395 0.000 0.858 218 R CB 0.437 30.425 30.300 -0.521 0.000 1.094 218 R HN 0.769 nan 8.270 nan 0.000 0.457 219 L N 5.898 126.961 121.223 -0.267 0.000 2.294 219 L HA 0.399 4.739 4.340 -0.000 0.000 0.283 219 L C -0.741 176.062 176.870 -0.111 0.000 1.015 219 L CA -0.780 53.989 54.840 -0.118 0.000 0.831 219 L CB 1.012 43.135 42.059 0.108 0.000 1.217 219 L HN 0.588 nan 8.230 nan 0.000 0.420 220 W N 3.039 124.425 121.300 0.143 0.000 2.266 220 W HA 0.365 5.024 4.660 -0.001 0.000 0.317 220 W C 0.373 177.049 176.519 0.262 0.000 1.310 220 W CA -0.142 57.303 57.345 0.166 0.000 1.207 220 W CB 0.588 30.004 29.460 -0.074 0.000 1.199 220 W HN 0.424 nan 8.180 nan 0.000 0.544 221 Q N 2.347 122.471 119.800 0.539 0.000 2.331 221 Q HA 0.631 4.971 4.340 -0.000 0.000 0.267 221 Q C -0.650 175.546 176.000 0.327 0.000 1.006 221 Q CA -0.703 55.276 55.803 0.293 0.000 0.818 221 Q CB 1.561 30.304 28.738 0.008 0.000 1.276 221 Q HN 0.608 nan 8.270 nan 0.000 0.450 222 A N 2.679 125.530 122.820 0.051 0.000 2.328 222 A HA 0.645 4.965 4.320 -0.000 0.000 0.284 222 A C -0.173 177.379 177.584 -0.052 0.000 1.160 222 A CA 0.001 51.918 52.037 -0.200 0.000 0.818 222 A CB 0.586 19.172 19.000 -0.690 0.000 1.087 222 A HN 0.778 nan 8.150 nan 0.000 0.504 223 T N -0.546 114.009 114.554 0.002 0.000 2.865 223 T HA 0.599 4.949 4.350 -0.000 0.000 0.294 223 T C -0.790 173.942 174.700 0.054 0.000 1.119 223 T CA -0.654 61.470 62.100 0.041 0.000 1.007 223 T CB 1.469 70.372 68.868 0.058 0.000 1.225 223 T HN 0.716 nan 8.240 nan 0.000 0.515 224 H N -0.553 118.506 119.070 -0.018 0.000 2.569 224 H HA 0.638 5.194 4.556 -0.000 0.000 0.357 224 H C 0.986 176.260 175.328 -0.091 0.000 1.153 224 H CA -0.151 55.858 56.048 -0.065 0.000 1.193 224 H CB 2.228 31.976 29.762 -0.024 0.000 1.602 224 H HN 0.873 nan 8.280 nan 0.000 0.523 225 A N 3.511 126.083 122.820 -0.412 0.000 2.015 225 A HA -0.097 4.222 4.320 -0.000 0.000 0.219 225 A C 0.391 177.670 177.584 -0.510 0.000 1.163 225 A CA 1.014 52.807 52.037 -0.406 0.000 0.646 225 A CB -0.001 18.707 19.000 -0.487 0.000 0.806 225 A HN 0.661 nan 8.150 nan 0.000 0.448 226 H N -0.986 118.294 119.070 0.349 0.000 2.348 226 H HA 0.212 4.768 4.556 -0.000 0.000 0.232 226 H C -2.113 173.368 175.328 0.255 0.000 1.419 226 H CA -1.550 54.675 56.048 0.295 0.000 1.416 226 H CB 0.637 30.528 29.762 0.215 0.000 1.510 226 H HN 0.360 nan 8.280 nan 0.000 0.507 227 P HA -0.093 nan 4.420 nan 0.000 0.225 227 P C 0.245 177.682 177.300 0.227 0.000 1.156 227 P CA 0.651 63.869 63.100 0.197 0.000 0.787 227 P CB 0.499 32.308 31.700 0.181 0.000 0.802 228 F N 0.904 120.908 119.950 0.089 0.000 2.520 228 F HA 0.500 5.027 4.527 -0.000 0.000 0.322 228 F C -0.763 175.086 175.800 0.083 0.000 1.103 228 F CA -1.215 56.831 58.000 0.077 0.000 0.926 228 F CB 1.467 40.495 39.000 0.045 0.000 1.154 228 F HN -0.364 nan 8.300 nan 0.000 0.453 229 D N 6.150 126.228 120.400 -0.535 0.000 2.441 229 D HA 0.124 4.764 4.640 -0.000 0.000 0.231 229 D C 0.499 176.442 176.300 -0.596 0.000 1.073 229 D CA -0.269 53.497 54.000 -0.389 0.000 0.850 229 D CB 1.490 42.166 40.800 -0.207 0.000 1.062 229 D HN 0.680 nan 8.370 nan 0.000 0.524 230 L N 3.827 124.873 121.223 -0.295 0.000 2.141 230 L HA -0.044 4.296 4.340 -0.000 0.000 0.209 230 L C 1.849 178.733 176.870 0.024 0.000 1.094 230 L CA 1.730 56.539 54.840 -0.052 0.000 0.763 230 L CB -0.442 41.720 42.059 0.172 0.000 0.908 230 L HN 0.374 nan 8.230 nan 0.000 0.437 231 T N -0.377 114.164 114.554 -0.021 0.000 2.701 231 T HA -0.172 4.178 4.350 -0.000 0.000 0.263 231 T C 1.867 176.557 174.700 -0.017 0.000 1.040 231 T CA 1.642 63.741 62.100 -0.002 0.000 1.147 231 T CB -0.102 68.757 68.868 -0.015 0.000 0.865 231 T HN 0.338 nan 8.240 nan 0.000 0.426 232 K N 0.222 120.584 120.400 -0.063 0.000 2.057 232 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 232 K C 2.039 178.601 176.600 -0.063 0.000 1.049 232 K CA 1.187 57.424 56.287 -0.083 0.000 0.931 232 K CB -0.396 32.040 32.500 -0.107 0.000 0.714 232 K HN 0.284 nan 8.250 nan 0.000 0.440 233 F N 2.537 122.397 119.950 -0.150 0.000 2.134 233 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 233 F C 1.825 177.685 175.800 0.099 0.000 1.097 233 F CA 1.425 59.450 58.000 0.041 0.000 1.264 233 F CB -0.038 39.064 39.000 0.170 0.000 1.001 233 F HN 0.024 nan 8.300 nan 0.000 0.479 234 N N 0.088 118.944 118.700 0.260 0.000 2.494 234 N HA -0.087 4.652 4.740 -0.000 0.000 0.182 234 N C 0.546 176.079 175.510 0.039 0.000 1.076 234 N CA 0.823 53.998 53.050 0.207 0.000 0.908 234 N CB -0.313 38.293 38.487 0.199 0.000 0.967 234 N HN 0.347 nan 8.380 nan 0.000 0.449 235 D N -0.701 119.670 120.400 -0.048 0.000 2.340 235 D HA 0.182 4.822 4.640 -0.000 0.000 0.217 235 D C 1.139 177.290 176.300 -0.248 0.000 1.081 235 D CA 0.143 54.077 54.000 -0.109 0.000 0.842 235 D CB 0.178 40.920 40.800 -0.097 0.000 0.934 235 D HN 0.257 nan 8.370 nan 0.000 0.511 236 G N 1.453 109.995 108.800 -0.430 0.000 2.176 236 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.253 236 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.253 236 G C 0.114 174.298 174.900 -1.194 0.000 0.979 236 G CA -0.121 44.428 45.100 -0.918 0.000 0.641 236 G HN 0.280 nan 8.290 nan 0.000 0.530 237 D N 0.352 120.326 120.400 -0.710 0.000 2.522 237 D HA 0.488 5.128 4.640 -0.000 0.000 0.218 237 D C 1.383 177.461 176.300 -0.370 0.000 1.149 237 D CA -0.822 52.874 54.000 -0.507 0.000 0.981 237 D CB -0.419 40.228 40.800 -0.256 0.000 1.041 237 D HN 0.090 nan 8.370 nan 0.000 0.518 238 F N 1.325 121.186 119.950 -0.147 0.000 2.186 238 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 238 F C 1.952 177.801 175.800 0.081 0.000 1.090 238 F CA 0.244 58.193 58.000 -0.084 0.000 1.307 238 F CB -0.486 38.432 39.000 -0.137 0.000 1.019 238 F HN 0.323 nan 8.300 nan 0.000 0.489 239 L N 0.442 121.771 121.223 0.176 0.000 2.068 239 L HA 0.025 4.365 4.340 -0.000 0.000 0.204 239 L C 2.310 179.232 176.870 0.087 0.000 1.076 239 L CA 1.598 56.521 54.840 0.138 0.000 0.753 239 L CB -0.703 41.408 42.059 0.087 0.000 0.910 239 L HN -0.058 nan 8.230 nan 0.000 0.439 240 R N -0.336 120.180 120.500 0.026 0.000 2.189 240 R HA -0.025 4.315 4.340 -0.000 0.000 0.223 240 R C 2.104 178.396 176.300 -0.014 0.000 1.092 240 R CA 0.879 56.977 56.100 -0.003 0.000 0.989 240 R CB -0.475 29.802 30.300 -0.040 0.000 0.876 240 R HN 0.510 nan 8.270 nan 0.000 0.457 241 A N 1.314 124.131 122.820 -0.004 0.000 2.024 241 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 241 A C 1.539 179.090 177.584 -0.054 0.000 1.164 241 A CA 1.272 53.249 52.037 -0.100 0.000 0.643 241 A CB -0.056 18.899 19.000 -0.074 0.000 0.806 241 A HN 0.174 nan 8.150 nan 0.000 0.451 242 E N -0.830 119.428 120.200 0.098 0.000 2.479 242 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 242 E C 1.742 178.397 176.600 0.092 0.000 1.049 242 E CA 0.485 56.979 56.400 0.156 0.000 0.870 242 E CB 0.088 29.910 29.700 0.204 0.000 0.944 242 E HN 0.789 nan 8.360 nan 0.000 0.492 243 Q N 1.607 121.433 119.800 0.045 0.000 2.084 243 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 243 Q C 2.129 178.143 176.000 0.022 0.000 0.978 243 Q CA 1.845 57.662 55.803 0.025 0.000 0.844 243 Q CB -0.055 28.683 28.738 -0.001 0.000 0.898 243 Q HN 0.261 nan 8.270 nan 0.000 0.426 244 Q N -1.119 118.688 119.800 0.010 0.000 2.084 244 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 244 Q C 1.867 177.886 176.000 0.032 0.000 0.978 244 Q CA 1.716 57.511 55.803 -0.013 0.000 0.844 244 Q CB -0.585 28.055 28.738 -0.162 0.000 0.898 244 Q HN 0.546 nan 8.270 nan 0.000 0.426 245 G N 0.697 109.535 108.800 0.062 0.000 2.421 245 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 245 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 245 G C 1.370 176.344 174.900 0.122 0.000 1.171 245 G CA 0.896 46.072 45.100 0.126 0.000 0.775 245 G HN 0.373 nan 8.290 nan 0.000 0.543 246 I N 1.100 121.727 120.570 0.095 0.000 2.226 246 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 246 I C 2.399 178.552 176.117 0.061 0.000 1.100 246 I CA 0.735 62.081 61.300 0.076 0.000 1.374 246 I CB -0.176 37.864 38.000 0.066 0.000 1.057 246 I HN 0.063 nan 8.210 nan 0.000 0.413 247 N N 0.975 119.702 118.700 0.046 0.000 2.205 247 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 247 N C 1.776 177.341 175.510 0.093 0.000 1.015 247 N CA 1.583 54.618 53.050 -0.026 0.000 0.862 247 N CB -0.260 38.079 38.487 -0.247 0.000 0.986 247 N HN 0.410 nan 8.380 nan 0.000 0.429 248 A N 1.133 124.125 122.820 0.286 0.000 1.861 248 A HA -0.015 4.305 4.320 -0.000 0.000 0.212 248 A C 1.982 179.593 177.584 0.045 0.000 1.199 248 A CA 0.838 53.023 52.037 0.245 0.000 0.613 248 A CB -0.417 18.749 19.000 0.277 0.000 0.846 248 A HN 0.229 nan 8.150 nan 0.000 0.446 249 E N 0.212 120.445 120.200 0.054 0.000 2.333 249 E HA -0.198 4.152 4.350 -0.000 0.000 0.198 249 E C 1.854 178.462 176.600 0.013 0.000 1.007 249 E CA 1.228 57.634 56.400 0.011 0.000 0.845 249 E CB -0.130 29.590 29.700 0.032 0.000 0.766 249 E HN 0.808 nan 8.360 nan 0.000 0.507 250 K N 0.974 121.391 120.400 0.028 0.000 2.288 250 K HA -0.090 4.230 4.320 -0.000 0.000 0.201 250 K C 1.842 178.471 176.600 0.049 0.000 1.048 250 K CA 0.770 57.086 56.287 0.048 0.000 0.956 250 K CB -0.127 32.397 32.500 0.039 0.000 0.746 250 K HN 0.127 nan 8.250 nan 0.000 0.461 251 L N 1.847 123.065 121.223 -0.009 0.000 2.187 251 L HA -0.084 4.256 4.340 -0.000 0.000 0.213 251 L C 1.233 178.138 176.870 0.059 0.000 1.100 251 L CA 1.571 56.402 54.840 -0.014 0.000 0.765 251 L CB -0.650 41.294 42.059 -0.191 0.000 0.904 251 L HN 0.465 nan 8.230 nan 0.000 0.437 252 T N -5.412 109.168 114.554 0.044 0.000 3.415 252 T HA 0.215 4.565 4.350 -0.000 0.000 0.282 252 T C 1.110 175.910 174.700 0.167 0.000 1.007 252 T CA -0.613 61.547 62.100 0.100 0.000 0.958 252 T CB 0.486 69.357 68.868 0.005 0.000 1.171 252 T HN -0.002 nan 8.240 nan 0.000 0.500 253 K N 0.888 121.413 120.400 0.209 0.000 2.078 253 K HA 0.264 4.584 4.320 -0.000 0.000 0.203 253 K C 0.547 177.350 176.600 0.338 0.000 1.043 253 K CA 0.663 57.100 56.287 0.250 0.000 0.960 253 K CB 0.267 32.917 32.500 0.249 0.000 0.761 253 K HN 0.302 nan 8.250 nan 0.000 0.448 254 V N 1.911 121.996 119.914 0.284 0.000 2.789 254 V HA 0.280 4.400 4.120 -0.000 0.000 0.311 254 V C -0.414 175.616 176.094 -0.106 0.000 1.073 254 V CA -0.910 61.470 62.300 0.132 0.000 0.921 254 V CB 2.698 34.598 31.823 0.128 0.000 1.009 254 V HN 0.138 nan 8.190 nan 0.000 0.426 255 L N 4.640 125.516 121.223 -0.577 0.000 2.349 255 L HA 0.403 4.743 4.340 -0.000 0.000 0.275 255 L C -0.388 176.304 176.870 -0.298 0.000 1.115 255 L CA -0.281 54.011 54.840 -0.914 0.000 0.820 255 L CB 0.318 41.657 42.059 -1.199 0.000 1.135 255 L HN 0.885 nan 8.230 nan 0.000 0.445 256 Y N 2.341 122.565 120.300 -0.127 0.000 2.981 256 Y HA -0.179 4.371 4.550 0.000 0.000 0.204 256 Y C -1.890 174.020 175.900 0.018 0.000 1.265 256 Y CA -0.641 57.443 58.100 -0.026 0.000 0.941 256 Y CB -2.296 36.151 38.460 -0.023 0.000 1.254 256 Y HN 0.454 nan 8.280 nan 0.000 0.469 257 P HA -0.040 nan 4.420 nan 0.000 0.267 257 P C 0.551 177.918 177.300 0.112 0.000 1.200 257 P CA -0.083 63.089 63.100 0.120 0.000 0.772 257 P CB 0.758 32.522 31.700 0.106 0.000 0.855 258 N N 2.641 121.387 118.700 0.077 0.000 2.365 258 N HA -0.106 4.634 4.740 -0.000 0.000 0.265 258 N C 0.273 175.816 175.510 0.056 0.000 1.288 258 N CA 0.465 53.544 53.050 0.047 0.000 0.869 258 N CB -0.089 38.412 38.487 0.023 0.000 1.071 258 N HN 0.376 nan 8.380 nan 0.000 0.480 259 D N 1.766 122.196 120.400 0.051 0.000 2.559 259 D HA 0.053 4.693 4.640 -0.000 0.000 0.234 259 D C 0.457 176.785 176.300 0.048 0.000 1.226 259 D CA -0.198 53.839 54.000 0.063 0.000 0.830 259 D CB -0.956 39.895 40.800 0.084 0.000 1.028 259 D HN 0.492 nan 8.370 nan 0.000 0.492 260 N N 0.046 118.766 118.700 0.035 0.000 2.205 260 N HA -0.067 4.673 4.740 -0.000 0.000 0.186 260 N C 0.761 176.319 175.510 0.080 0.000 1.015 260 N CA 0.889 53.965 53.050 0.044 0.000 0.862 260 N CB 0.227 38.745 38.487 0.051 0.000 0.986 260 N HN 0.280 nan 8.380 nan 0.000 0.429 261 A N -0.172 122.704 122.820 0.094 0.000 2.313 261 A HA 0.341 4.661 4.320 -0.000 0.000 0.323 261 A C 0.459 178.150 177.584 0.178 0.000 1.133 261 A CA -0.626 51.491 52.037 0.134 0.000 0.847 261 A CB 0.477 19.549 19.000 0.120 0.000 1.308 261 A HN 0.143 nan 8.150 nan 0.000 0.475 262 F N 0.134 120.119 119.950 0.058 0.000 2.102 262 F HA -0.107 4.419 4.527 -0.001 0.000 0.298 262 F C 1.980 177.828 175.800 0.080 0.000 1.105 262 F CA 2.425 60.467 58.000 0.070 0.000 1.239 262 F CB 0.063 39.097 39.000 0.056 0.000 0.991 262 F HN 0.620 nan 8.300 nan 0.000 0.474 263 E N 0.464 120.682 120.200 0.031 0.000 2.110 263 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 263 E C 2.520 179.067 176.600 -0.088 0.000 0.988 263 E CA 1.085 57.432 56.400 -0.088 0.000 0.804 263 E CB -1.200 28.523 29.700 0.039 0.000 0.745 263 E HN 0.542 nan 8.360 nan 0.000 0.458 264 G N 1.542 110.338 108.800 -0.007 0.000 2.421 264 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 264 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 264 G C 1.592 176.519 174.900 0.044 0.000 1.171 264 G CA 0.926 46.045 45.100 0.032 0.000 0.775 264 G HN 0.256 nan 8.290 nan 0.000 0.543 265 K N 0.237 120.660 120.400 0.038 0.000 2.063 265 K HA -0.093 4.227 4.320 -0.000 0.000 0.208 265 K C 2.432 179.094 176.600 0.104 0.000 1.048 265 K CA 1.405 57.782 56.287 0.150 0.000 0.928 265 K CB -0.119 32.481 32.500 0.166 0.000 0.713 265 K HN 0.264 nan 8.250 nan 0.000 0.442 266 K N 0.975 121.267 120.400 -0.181 0.000 2.057 266 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 266 K C 2.091 178.614 176.600 -0.129 0.000 1.050 266 K CA 0.668 56.801 56.287 -0.257 0.000 0.935 266 K CB -0.099 32.115 32.500 -0.476 0.000 0.715 266 K HN -0.032 nan 8.250 nan 0.000 0.439 267 L N 1.770 122.953 121.223 -0.067 0.000 2.013 267 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 267 L C 2.100 178.998 176.870 0.047 0.000 1.073 267 L CA 1.780 56.621 54.840 0.001 0.000 0.753 267 L CB -0.499 41.578 42.059 0.031 0.000 0.890 267 L HN 0.148 nan 8.230 nan 0.000 0.432 268 R N -1.125 119.435 120.500 0.100 0.000 2.083 268 R HA -0.180 4.160 4.340 -0.000 0.000 0.237 268 R C 2.204 178.547 176.300 0.072 0.000 1.137 268 R CA 1.704 57.911 56.100 0.179 0.000 0.951 268 R CB -0.780 29.731 30.300 0.352 0.000 0.851 268 R HN 0.347 nan 8.270 nan 0.000 0.434 269 L N 0.942 122.056 121.223 -0.181 0.000 2.046 269 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 269 L C 2.146 178.918 176.870 -0.162 0.000 1.077 269 L CA 1.692 56.246 54.840 -0.476 0.000 0.747 269 L CB -0.290 41.191 42.059 -0.963 0.000 0.896 269 L HN 0.167 nan 8.230 nan 0.000 0.432 270 M N -1.469 118.090 119.600 -0.068 0.000 2.117 270 M HA -0.249 4.231 4.480 -0.000 0.000 0.262 270 M C 2.289 178.686 176.300 0.161 0.000 1.065 270 M CA 1.767 57.108 55.300 0.068 0.000 1.114 270 M CB -0.532 32.099 32.600 0.051 0.000 1.361 270 M HN 0.351 nan 8.290 nan 0.000 0.408 271 Q N 0.251 120.137 119.800 0.143 0.000 2.061 271 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 271 Q C 2.073 178.213 176.000 0.234 0.000 0.984 271 Q CA 1.689 57.622 55.803 0.217 0.000 0.846 271 Q CB -0.237 28.630 28.738 0.215 0.000 0.902 271 Q HN 0.625 nan 8.270 nan 0.000 0.421 272 Q N -0.688 119.216 119.800 0.172 0.000 2.079 272 Q HA -0.200 4.140 4.340 -0.000 0.000 0.200 272 Q C 1.842 177.909 176.000 0.112 0.000 0.974 272 Q CA 1.381 57.275 55.803 0.152 0.000 0.840 272 Q CB -0.223 28.610 28.738 0.159 0.000 0.898 272 Q HN 0.400 nan 8.270 nan 0.000 0.430 273 Y N 0.500 120.792 120.300 -0.014 0.000 2.200 273 Y HA -0.243 4.307 4.550 -0.000 0.000 0.290 273 Y C 1.895 177.794 175.900 -0.002 0.000 1.137 273 Y CA 1.120 59.184 58.100 -0.060 0.000 1.163 273 Y CB -0.421 37.975 38.460 -0.106 0.000 0.988 273 Y HN 0.118 nan 8.280 nan 0.000 0.518 274 F N 1.255 121.071 119.950 -0.224 0.000 2.095 274 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 274 F C 2.579 178.195 175.800 -0.306 0.000 1.104 274 F CA 2.408 60.238 58.000 -0.284 0.000 1.232 274 F CB -0.850 38.107 39.000 -0.071 0.000 0.987 274 F HN 0.230 nan 8.300 nan 0.000 0.475 275 Q N -0.396 119.221 119.800 -0.306 0.000 2.050 275 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 275 Q C 2.373 178.133 176.000 -0.399 0.000 0.980 275 Q CA 2.428 58.051 55.803 -0.300 0.000 0.840 275 Q CB -0.584 28.185 28.738 0.052 0.000 0.898 275 Q HN 0.553 nan 8.270 nan 0.000 0.424 276 C N -0.040 119.092 119.300 -0.280 0.000 2.440 276 C HA 0.007 4.467 4.460 -0.000 0.000 0.278 276 C C 2.783 177.563 174.990 -0.349 0.000 1.295 276 C CA 0.742 59.626 59.018 -0.224 0.000 1.738 276 C CB -1.125 26.564 27.740 -0.086 0.000 1.987 276 C HN 0.701 nan 8.230 nan 0.000 0.492 277 A N -1.114 121.374 122.820 -0.553 0.000 1.930 277 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 277 A C 2.097 179.323 177.584 -0.598 0.000 1.176 277 A CA 1.815 53.539 52.037 -0.523 0.000 0.632 277 A CB -0.920 17.646 19.000 -0.725 0.000 0.819 277 A HN 0.645 nan 8.150 nan 0.000 0.445 278 C N -0.557 118.160 119.300 -0.972 0.000 2.429 278 C HA -0.053 4.407 4.460 -0.000 0.000 0.277 278 C C 3.264 177.635 174.990 -1.031 0.000 1.262 278 C CA 1.386 59.548 59.018 -1.427 0.000 1.733 278 C CB -1.136 24.910 27.740 -2.824 0.000 2.010 278 C HN 0.608 nan 8.230 nan 0.000 0.483 279 S N 0.718 115.973 115.700 -0.742 0.000 2.355 279 S HA -0.120 4.350 4.470 -0.000 0.000 0.222 279 S C 1.923 176.280 174.600 -0.404 0.000 1.031 279 S CA 1.352 59.212 58.200 -0.567 0.000 0.993 279 S CB -0.408 62.432 63.200 -0.599 0.000 0.859 279 S HN 0.467 nan 8.310 nan 0.000 0.453 280 V N 2.188 121.940 119.914 -0.270 0.000 2.332 280 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 280 V C 2.622 178.650 176.094 -0.109 0.000 1.055 280 V CA 1.767 63.987 62.300 -0.133 0.000 1.038 280 V CB -1.160 30.636 31.823 -0.046 0.000 0.651 280 V HN 0.552 nan 8.190 nan 0.000 0.450 281 A N -0.284 122.443 122.820 -0.155 0.000 1.969 281 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 281 A C 2.018 179.584 177.584 -0.029 0.000 1.169 281 A CA 1.938 53.919 52.037 -0.093 0.000 0.635 281 A CB -0.525 18.390 19.000 -0.141 0.000 0.810 281 A HN 0.609 nan 8.150 nan 0.000 0.445 282 D N -0.299 120.097 120.400 -0.006 0.000 2.123 282 D HA -0.060 4.580 4.640 -0.000 0.000 0.200 282 D C 1.730 178.112 176.300 0.136 0.000 0.976 282 D CA 1.045 55.141 54.000 0.160 0.000 0.831 282 D CB -0.163 40.899 40.800 0.436 0.000 0.974 282 D HN 0.450 nan 8.370 nan 0.000 0.469 283 I N 0.240 120.859 120.570 0.082 0.000 2.099 283 I HA -0.273 3.897 4.170 -0.000 0.000 0.239 283 I C 2.371 178.518 176.117 0.051 0.000 1.066 283 I CA 0.877 62.222 61.300 0.075 0.000 1.324 283 I CB -0.307 37.706 38.000 0.022 0.000 1.037 283 I HN 0.128 nan 8.210 nan 0.000 0.401 284 L N 0.104 121.340 121.223 0.023 0.000 2.042 284 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 284 L C 2.782 179.711 176.870 0.098 0.000 1.076 284 L CA 1.412 56.277 54.840 0.042 0.000 0.749 284 L CB -0.678 41.390 42.059 0.015 0.000 0.893 284 L HN 0.249 nan 8.230 nan 0.000 0.432 285 R N 0.433 120.977 120.500 0.074 0.000 2.083 285 R HA -0.231 4.109 4.340 -0.000 0.000 0.237 285 R C 2.517 178.873 176.300 0.092 0.000 1.137 285 R CA 1.842 57.992 56.100 0.083 0.000 0.951 285 R CB -0.197 30.140 30.300 0.062 0.000 0.851 285 R HN 0.218 nan 8.270 nan 0.000 0.434 286 R N -0.968 119.574 120.500 0.070 0.000 2.075 286 R HA -0.193 4.147 4.340 -0.000 0.000 0.232 286 R C 2.230 178.534 176.300 0.007 0.000 1.126 286 R CA 1.986 58.096 56.100 0.016 0.000 0.963 286 R CB -0.349 29.941 30.300 -0.017 0.000 0.858 286 R HN 0.384 nan 8.270 nan 0.000 0.435 287 H N -0.293 118.741 119.070 -0.059 0.000 2.293 287 H HA -0.178 4.378 4.556 0.000 0.000 0.300 287 H C 2.138 177.413 175.328 -0.089 0.000 1.082 287 H CA 2.328 58.317 56.048 -0.100 0.000 1.308 287 H CB -0.384 29.329 29.762 -0.080 0.000 1.375 287 H HN 0.291 nan 8.280 nan 0.000 0.495 288 H N 0.080 119.108 119.070 -0.071 0.000 2.319 288 H HA -0.146 4.409 4.556 -0.000 0.000 0.297 288 H C 2.139 177.387 175.328 -0.134 0.000 1.097 288 H CA 1.685 57.668 56.048 -0.107 0.000 1.285 288 H CB -0.137 29.610 29.762 -0.025 0.000 1.368 288 H HN 0.317 nan 8.280 nan 0.000 0.495 289 L N 0.857 122.040 121.223 -0.067 0.000 2.083 289 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 289 L C 2.740 179.486 176.870 -0.206 0.000 1.083 289 L CA 1.514 56.283 54.840 -0.119 0.000 0.752 289 L CB -1.519 40.514 42.059 -0.042 0.000 0.899 289 L HN 0.317 nan 8.230 nan 0.000 0.433 290 A N -1.181 121.496 122.820 -0.237 0.000 2.239 290 A HA 0.217 4.537 4.320 -0.000 0.000 0.209 290 A C 1.723 179.115 177.584 -0.320 0.000 1.171 290 A CA 1.004 52.881 52.037 -0.267 0.000 0.768 290 A CB -0.493 18.331 19.000 -0.292 0.000 0.790 290 A HN 0.597 nan 8.150 nan 0.000 0.478 291 G N -1.341 107.236 108.800 -0.371 0.000 2.157 291 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.239 291 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.239 291 G C 0.265 174.930 174.900 -0.391 0.000 0.982 291 G CA 0.241 45.130 45.100 -0.351 0.000 0.650 291 G HN 0.639 nan 8.290 nan 0.000 0.527 292 R N 0.018 120.177 120.500 -0.569 0.000 2.532 292 R HA 0.629 4.969 4.340 -0.000 0.000 0.272 292 R C 0.043 176.058 176.300 -0.475 0.000 1.032 292 R CA -0.740 54.952 56.100 -0.681 0.000 1.089 292 R CB 0.653 30.174 30.300 -1.299 0.000 1.098 292 R HN -0.046 nan 8.270 nan 0.000 0.526 293 K N 1.716 121.972 120.400 -0.239 0.000 2.144 293 K HA 0.093 4.413 4.320 -0.000 0.000 0.270 293 K C 0.824 177.460 176.600 0.060 0.000 1.005 293 K CA -0.536 55.696 56.287 -0.091 0.000 0.932 293 K CB 0.932 33.323 32.500 -0.183 0.000 1.021 293 K HN 0.306 nan 8.250 nan 0.000 0.462 294 L N 3.041 124.299 121.223 0.059 0.000 2.046 294 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 294 L C 2.362 179.231 176.870 -0.002 0.000 1.077 294 L CA 1.896 56.754 54.840 0.030 0.000 0.747 294 L CB -0.796 41.224 42.059 -0.065 0.000 0.896 294 L HN 0.821 nan 8.230 nan 0.000 0.432 295 H N -1.162 117.924 119.070 0.028 0.000 2.518 295 H HA -0.064 4.492 4.556 -0.000 0.000 0.289 295 H C 0.777 176.121 175.328 0.027 0.000 1.051 295 H CA 1.338 57.395 56.048 0.014 0.000 1.280 295 H CB -0.114 29.662 29.762 0.023 0.000 1.380 295 H HN 0.530 nan 8.280 nan 0.000 0.566 296 E N 1.043 121.096 120.200 -0.245 0.000 2.465 296 E HA 0.128 4.478 4.350 -0.000 0.000 0.195 296 E C 1.898 178.525 176.600 0.046 0.000 1.028 296 E CA -0.409 55.948 56.400 -0.071 0.000 0.899 296 E CB 0.534 30.207 29.700 -0.046 0.000 1.032 296 E HN 0.310 nan 8.360 nan 0.000 0.468 297 L N 1.075 122.216 121.223 -0.137 0.000 2.010 297 L HA -0.298 4.041 4.340 -0.000 0.000 0.219 297 L C 2.262 179.019 176.870 -0.188 0.000 1.077 297 L CA 2.049 56.651 54.840 -0.395 0.000 0.773 297 L CB -0.399 41.421 42.059 -0.399 0.000 0.892 297 L HN 0.253 nan 8.230 nan 0.000 0.436 298 A N -0.979 121.743 122.820 -0.162 0.000 2.125 298 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 298 A C 1.665 179.151 177.584 -0.163 0.000 1.156 298 A CA 1.589 53.524 52.037 -0.170 0.000 0.671 298 A CB -0.424 18.464 19.000 -0.187 0.000 0.794 298 A HN 0.561 nan 8.150 nan 0.000 0.459 299 D N -2.103 118.203 120.400 -0.158 0.000 2.347 299 D HA -0.012 4.628 4.640 -0.000 0.000 0.213 299 D C 0.617 176.653 176.300 -0.440 0.000 0.985 299 D CA 0.985 54.801 54.000 -0.306 0.000 0.879 299 D CB 0.015 40.573 40.800 -0.403 0.000 0.919 299 D HN 0.660 nan 8.370 nan 0.000 0.526 300 Y N 0.105 120.390 120.300 -0.026 0.000 2.452 300 Y HA 0.206 4.757 4.550 0.000 0.000 0.262 300 Y C 0.540 176.456 175.900 0.027 0.000 1.089 300 Y CA -0.045 58.072 58.100 0.029 0.000 1.262 300 Y CB 1.112 39.642 38.460 0.116 0.000 1.236 300 Y HN -0.284 nan 8.280 nan 0.000 0.512 301 E N 0.477 120.733 120.200 0.093 0.000 2.272 301 E HA 0.488 4.837 4.350 -0.000 0.000 0.269 301 E C -1.450 175.130 176.600 -0.034 0.000 0.877 301 E CA -0.606 55.820 56.400 0.042 0.000 0.755 301 E CB 3.225 32.907 29.700 -0.029 0.000 1.192 301 E HN -0.155 nan 8.360 nan 0.000 0.422 302 V N 3.860 123.761 119.914 -0.021 0.000 2.735 302 V HA 0.546 4.666 4.120 -0.000 0.000 0.310 302 V C -1.046 175.025 176.094 -0.038 0.000 1.061 302 V CA -0.679 61.616 62.300 -0.008 0.000 0.913 302 V CB 1.564 33.441 31.823 0.089 0.000 1.005 302 V HN 0.577 nan 8.190 nan 0.000 0.428 303 I N 5.315 125.874 120.570 -0.019 0.000 2.382 303 I HA 0.421 4.591 4.170 -0.000 0.000 0.286 303 I C -0.625 175.575 176.117 0.139 0.000 1.002 303 I CA -0.646 60.672 61.300 0.031 0.000 1.135 303 I CB 1.776 39.749 38.000 -0.044 0.000 1.288 303 I HN 0.566 nan 8.210 nan 0.000 0.448 304 Q N 6.823 126.686 119.800 0.105 0.000 2.349 304 Q HA 0.432 4.772 4.340 -0.000 0.000 0.254 304 Q C -1.173 174.855 176.000 0.045 0.000 0.980 304 Q CA -0.084 55.796 55.803 0.128 0.000 0.924 304 Q CB 0.920 29.762 28.738 0.173 0.000 1.209 304 Q HN 0.561 nan 8.270 nan 0.000 0.445 305 L N 4.261 125.565 121.223 0.135 0.000 2.261 305 L HA 0.430 4.770 4.340 -0.000 0.000 0.289 305 L C -0.077 176.890 176.870 0.162 0.000 1.059 305 L CA -0.499 54.431 54.840 0.150 0.000 0.816 305 L CB 0.645 42.819 42.059 0.192 0.000 1.191 305 L HN 0.516 nan 8.230 nan 0.000 0.431 306 N N 4.277 123.046 118.700 0.114 0.000 2.426 306 N HA 0.170 4.910 4.740 -0.000 0.000 0.257 306 N C -0.374 175.311 175.510 0.291 0.000 1.002 306 N CA -0.350 52.842 53.050 0.236 0.000 0.942 306 N CB 1.306 39.891 38.487 0.163 0.000 1.112 306 N HN 0.608 nan 8.380 nan 0.000 0.499 307 D N -0.046 120.581 120.400 0.378 0.000 4.105 307 D HA -0.209 4.431 4.640 -0.000 0.000 0.289 307 D C 1.169 177.614 176.300 0.242 0.000 2.261 307 D CA 1.618 55.790 54.000 0.287 0.000 1.093 307 D CB -0.227 40.562 40.800 -0.019 0.000 1.035 307 D HN 0.611 nan 8.370 nan 0.000 1.218 308 T N -3.572 111.006 114.554 0.041 0.000 3.088 308 T HA -0.013 4.336 4.350 -0.000 0.000 0.259 308 T C 1.507 176.282 174.700 0.126 0.000 1.122 308 T CA 1.658 63.789 62.100 0.051 0.000 1.095 308 T CB -0.425 68.467 68.868 0.041 0.000 0.930 308 T HN 0.481 nan 8.240 nan 0.000 0.508 309 H N 2.891 122.103 119.070 0.237 0.000 2.357 309 H HA -0.036 4.521 4.556 0.001 0.000 0.296 309 H C -0.848 174.591 175.328 0.184 0.000 1.108 309 H CA 1.579 57.773 56.048 0.243 0.000 1.273 309 H CB -1.022 28.895 29.762 0.258 0.000 1.367 309 H HN 0.458 nan 8.280 nan 0.000 0.498 310 P HA 0.144 nan 4.420 nan 0.000 0.266 310 P C 0.414 177.742 177.300 0.046 0.000 1.561 310 P CA 0.264 63.453 63.100 0.148 0.000 1.089 310 P CB 0.600 32.391 31.700 0.151 0.000 1.534 311 T N 0.623 115.201 114.554 0.040 0.000 2.665 311 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 311 T C 1.574 176.213 174.700 -0.102 0.000 1.035 311 T CA 1.350 63.412 62.100 -0.064 0.000 1.151 311 T CB -0.728 68.130 68.868 -0.016 0.000 0.862 311 T HN 0.077 nan 8.240 nan 0.000 0.438 312 I N 1.514 122.068 120.570 -0.025 0.000 2.530 312 I HA -0.119 4.051 4.170 -0.000 0.000 0.257 312 I C 2.389 178.499 176.117 -0.011 0.000 1.179 312 I CA 0.546 61.835 61.300 -0.018 0.000 1.440 312 I CB -0.612 37.378 38.000 -0.016 0.000 1.087 312 I HN 0.207 nan 8.210 nan 0.000 0.440 313 A N 0.420 123.209 122.820 -0.052 0.000 1.997 313 A HA -0.259 4.061 4.320 -0.000 0.000 0.221 313 A C 2.297 179.785 177.584 -0.160 0.000 1.172 313 A CA 2.308 54.318 52.037 -0.046 0.000 0.645 313 A CB -0.971 18.024 19.000 -0.008 0.000 0.813 313 A HN 0.535 nan 8.150 nan 0.000 0.454 314 I N 0.107 120.413 120.570 -0.441 0.000 2.133 314 I HA -0.137 4.032 4.170 -0.000 0.000 0.238 314 I C -0.368 175.697 176.117 -0.087 0.000 1.074 314 I CA 1.484 62.466 61.300 -0.530 0.000 1.342 314 I CB -1.043 36.600 38.000 -0.595 0.000 1.053 314 I HN 0.232 nan 8.210 nan 0.000 0.404 315 P HA -0.189 nan 4.420 nan 0.000 0.220 315 P C 1.278 178.701 177.300 0.205 0.000 1.148 315 P CA 1.504 64.692 63.100 0.147 0.000 0.803 315 P CB 0.004 31.830 31.700 0.209 0.000 0.782 316 E N 0.328 120.700 120.200 0.287 0.000 2.031 316 E HA -0.181 4.168 4.350 -0.000 0.000 0.193 316 E C 1.924 178.648 176.600 0.207 0.000 0.994 316 E CA 0.924 57.541 56.400 0.362 0.000 0.800 316 E CB -1.299 28.602 29.700 0.336 0.000 0.752 316 E HN 0.000 nan 8.360 nan 0.000 0.447 317 L N 0.303 121.631 121.223 0.176 0.000 2.012 317 L HA -0.098 4.241 4.340 -0.000 0.000 0.210 317 L C 2.268 179.190 176.870 0.086 0.000 1.073 317 L CA 1.644 56.571 54.840 0.145 0.000 0.748 317 L CB -0.761 41.434 42.059 0.227 0.000 0.891 317 L HN 0.311 nan 8.230 nan 0.000 0.431 318 L N -0.786 120.471 121.223 0.058 0.000 1.990 318 L HA -0.294 4.046 4.340 -0.000 0.000 0.213 318 L C 2.810 179.695 176.870 0.024 0.000 1.072 318 L CA 1.874 56.706 54.840 -0.014 0.000 0.755 318 L CB -0.614 41.414 42.059 -0.053 0.000 0.889 318 L HN 0.323 nan 8.230 nan 0.000 0.432 319 R N -0.077 120.443 120.500 0.034 0.000 2.094 319 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 319 R C 2.223 178.574 176.300 0.085 0.000 1.137 319 R CA 2.156 58.267 56.100 0.019 0.000 0.943 319 R CB -0.382 29.873 30.300 -0.076 0.000 0.850 319 R HN 0.162 nan 8.270 nan 0.000 0.433 320 V N 1.176 121.162 119.914 0.118 0.000 2.332 320 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 320 V C 2.316 178.538 176.094 0.214 0.000 1.055 320 V CA 1.402 63.795 62.300 0.156 0.000 1.038 320 V CB -0.429 31.491 31.823 0.161 0.000 0.651 320 V HN 0.295 nan 8.190 nan 0.000 0.450 321 L N -0.938 120.381 121.223 0.160 0.000 2.072 321 L HA -0.038 4.302 4.340 -0.000 0.000 0.205 321 L C 2.118 179.078 176.870 0.150 0.000 1.079 321 L CA 1.731 56.669 54.840 0.162 0.000 0.752 321 L CB -0.845 41.244 42.059 0.049 0.000 0.906 321 L HN 0.242 nan 8.230 nan 0.000 0.436 322 I N -0.505 120.128 120.570 0.105 0.000 2.162 322 I HA -0.242 3.927 4.170 -0.000 0.000 0.238 322 I C 1.906 178.087 176.117 0.106 0.000 1.076 322 I CA 1.207 62.573 61.300 0.111 0.000 1.353 322 I CB -0.295 37.782 38.000 0.128 0.000 1.063 322 I HN 0.190 nan 8.210 nan 0.000 0.408 323 D N 0.396 120.852 120.400 0.094 0.000 2.194 323 D HA -0.106 4.534 4.640 -0.000 0.000 0.204 323 D C 1.925 178.244 176.300 0.031 0.000 0.964 323 D CA 1.051 55.096 54.000 0.075 0.000 0.846 323 D CB -0.068 40.788 40.800 0.092 0.000 0.962 323 D HN 0.457 nan 8.370 nan 0.000 0.490 324 E N -0.733 119.464 120.200 -0.005 0.000 2.372 324 E HA 0.057 4.407 4.350 -0.000 0.000 0.201 324 E C 0.909 177.284 176.600 -0.374 0.000 0.938 324 E CA 0.264 56.559 56.400 -0.175 0.000 0.944 324 E CB 0.361 29.927 29.700 -0.223 0.000 0.937 324 E HN 0.405 nan 8.360 nan 0.000 0.495 325 H N 0.437 119.530 119.070 0.039 0.000 2.592 325 H HA 0.198 4.754 4.556 -0.000 0.000 0.279 325 H C -0.132 175.224 175.328 0.047 0.000 1.089 325 H CA 0.035 56.106 56.048 0.040 0.000 1.150 325 H CB 0.733 30.520 29.762 0.042 0.000 1.575 325 H HN 0.032 nan 8.280 nan 0.000 0.547 326 Q N 0.389 120.257 119.800 0.114 0.000 2.457 326 Q HA -0.186 4.154 4.340 -0.000 0.000 0.283 326 Q C -0.189 175.874 176.000 0.105 0.000 1.234 326 Q CA 0.512 56.372 55.803 0.095 0.000 0.877 326 Q CB -1.488 27.293 28.738 0.071 0.000 1.250 326 Q HN 0.513 nan 8.270 nan 0.000 0.481 327 M N 0.208 119.879 119.600 0.119 0.000 2.241 327 M HA 0.199 4.679 4.480 -0.000 0.000 0.335 327 M C 0.888 177.256 176.300 0.113 0.000 1.122 327 M CA 0.090 55.453 55.300 0.104 0.000 1.164 327 M CB 0.889 33.543 32.600 0.090 0.000 1.459 327 M HN 0.344 nan 8.290 nan 0.000 0.461 328 S N 1.643 117.412 115.700 0.115 0.000 2.584 328 S HA -0.009 4.461 4.470 -0.000 0.000 0.270 328 S C 0.897 175.620 174.600 0.204 0.000 1.346 328 S CA -0.738 57.556 58.200 0.156 0.000 1.018 328 S CB 0.557 63.840 63.200 0.138 0.000 0.899 328 S HN 0.958 nan 8.310 nan 0.000 0.542 329 W N 1.690 123.043 121.300 0.088 0.000 2.321 329 W HA -0.206 4.453 4.660 -0.001 0.000 0.306 329 W C 0.794 177.407 176.519 0.156 0.000 1.217 329 W CA 2.228 59.639 57.345 0.111 0.000 1.257 329 W CB -0.599 28.900 29.460 0.065 0.000 1.145 329 W HN 0.753 nan 8.180 nan 0.000 0.509 330 D N 0.131 120.704 120.400 0.288 0.000 2.178 330 D HA -0.145 4.495 4.640 -0.000 0.000 0.202 330 D C 1.551 177.945 176.300 0.156 0.000 0.974 330 D CA 1.495 55.637 54.000 0.236 0.000 0.841 330 D CB -0.499 40.428 40.800 0.212 0.000 0.953 330 D HN 0.155 nan 8.370 nan 0.000 0.478 331 D N 0.295 120.759 120.400 0.108 0.000 2.137 331 D HA 0.014 4.654 4.640 -0.000 0.000 0.202 331 D C 2.049 178.371 176.300 0.037 0.000 0.970 331 D CA 0.948 54.992 54.000 0.074 0.000 0.837 331 D CB -0.297 40.542 40.800 0.065 0.000 0.981 331 D HN 0.071 nan 8.370 nan 0.000 0.475 332 A N 1.073 123.893 122.820 -0.001 0.000 1.883 332 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 332 A C 2.137 179.663 177.584 -0.098 0.000 1.186 332 A CA 1.310 53.305 52.037 -0.069 0.000 0.624 332 A CB -1.239 17.681 19.000 -0.133 0.000 0.822 332 A HN 0.446 nan 8.150 nan 0.000 0.444 333 W N 0.631 121.737 121.300 -0.323 0.000 2.388 333 W HA -0.110 4.549 4.660 -0.001 0.000 0.294 333 W C 2.330 178.792 176.519 -0.095 0.000 1.212 333 W CA 1.722 58.906 57.345 -0.268 0.000 1.271 333 W CB -0.282 28.991 29.460 -0.312 0.000 1.126 333 W HN 0.447 nan 8.180 nan 0.000 0.535 334 A N 0.783 123.657 122.820 0.090 0.000 1.940 334 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 334 A C 1.996 179.537 177.584 -0.073 0.000 1.176 334 A CA 2.023 54.086 52.037 0.042 0.000 0.631 334 A CB -0.900 18.148 19.000 0.079 0.000 0.814 334 A HN 0.338 nan 8.150 nan 0.000 0.446 335 I N -0.283 120.230 120.570 -0.095 0.000 2.206 335 I HA -0.184 3.986 4.170 -0.000 0.000 0.239 335 I C 2.914 178.907 176.117 -0.205 0.000 1.078 335 I CA 1.755 62.976 61.300 -0.131 0.000 1.367 335 I CB -0.552 37.385 38.000 -0.105 0.000 1.078 335 I HN 0.504 nan 8.210 nan 0.000 0.413 336 T N -1.475 112.935 114.554 -0.241 0.000 2.788 336 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 336 T C 1.941 176.505 174.700 -0.228 0.000 1.044 336 T CA 1.414 63.392 62.100 -0.203 0.000 1.139 336 T CB -0.823 67.967 68.868 -0.130 0.000 0.867 336 T HN 0.421 nan 8.240 nan 0.000 0.454 337 S N 1.126 116.524 115.700 -0.503 0.000 2.474 337 S HA 0.065 4.535 4.470 -0.000 0.000 0.235 337 S C 1.657 176.193 174.600 -0.107 0.000 0.997 337 S CA 0.166 58.096 58.200 -0.451 0.000 0.949 337 S CB -0.270 62.505 63.200 -0.707 0.000 0.766 337 S HN 0.337 nan 8.310 nan 0.000 0.517 338 K N 0.601 120.930 120.400 -0.118 0.000 2.373 338 K HA 0.309 4.629 4.320 -0.000 0.000 0.202 338 K C 0.781 177.302 176.600 -0.131 0.000 1.025 338 K CA 0.268 56.476 56.287 -0.132 0.000 1.115 338 K CB 0.307 32.687 32.500 -0.199 0.000 0.858 338 K HN 0.377 nan 8.250 nan 0.000 0.525 339 T N -0.236 114.285 114.554 -0.056 0.000 3.026 339 T HA 0.246 4.596 4.350 -0.000 0.000 0.245 339 T C -0.036 174.608 174.700 -0.093 0.000 1.004 339 T CA 0.165 62.146 62.100 -0.198 0.000 1.069 339 T CB 0.171 68.731 68.868 -0.513 0.000 1.005 339 T HN -0.082 nan 8.240 nan 0.000 0.472 340 F N 1.691 121.727 119.950 0.144 0.000 2.421 340 F HA 0.726 5.253 4.527 -0.000 0.000 0.337 340 F C 0.345 176.055 175.800 -0.149 0.000 1.105 340 F CA -1.298 56.718 58.000 0.026 0.000 1.049 340 F CB 1.029 39.983 39.000 -0.076 0.000 1.139 340 F HN -0.013 nan 8.300 nan 0.000 0.479 341 A N 2.753 125.579 122.820 0.011 0.000 2.401 341 A HA 0.693 5.013 4.320 -0.000 0.000 0.310 341 A C -2.205 175.404 177.584 0.041 0.000 1.075 341 A CA -0.636 51.258 52.037 -0.239 0.000 0.746 341 A CB 1.117 19.933 19.000 -0.306 0.000 1.277 341 A HN 0.675 nan 8.150 nan 0.000 0.425 342 Y N 1.150 121.364 120.300 -0.144 0.000 2.331 342 Y HA 0.612 5.161 4.550 -0.002 0.000 0.334 342 Y C -0.460 175.432 175.900 -0.013 0.000 0.960 342 Y CA -0.533 57.526 58.100 -0.068 0.000 1.130 342 Y CB 1.755 40.135 38.460 -0.133 0.000 1.164 342 Y HN 0.540 nan 8.280 nan 0.000 0.458 343 T N 7.102 121.389 114.554 -0.445 0.000 2.749 343 T HA 0.197 4.547 4.350 -0.000 0.000 0.287 343 T C -0.467 173.772 174.700 -0.770 0.000 0.970 343 T CA -0.739 61.057 62.100 -0.507 0.000 0.980 343 T CB 0.162 68.884 68.868 -0.244 0.000 0.924 343 T HN 0.698 nan 8.240 nan 0.000 0.456 344 N N 2.432 120.733 118.700 -0.664 0.000 2.419 344 N HA 0.070 4.810 4.740 -0.000 0.000 0.264 344 N C 0.266 175.772 175.510 -0.007 0.000 1.031 344 N CA -0.336 52.617 53.050 -0.162 0.000 0.951 344 N CB 0.539 39.115 38.487 0.149 0.000 1.101 344 N HN 0.667 nan 8.380 nan 0.000 0.488 345 H N 1.732 120.842 119.070 0.067 0.000 2.586 345 H HA 0.119 4.675 4.556 0.000 0.000 0.273 345 H C -0.083 175.182 175.328 -0.106 0.000 0.997 345 H CA 0.231 56.278 56.048 -0.002 0.000 1.177 345 H CB 1.066 30.845 29.762 0.028 0.000 1.471 345 H HN 0.510 nan 8.280 nan 0.000 0.538 346 T N -0.059 114.537 114.554 0.069 0.000 2.977 346 T HA 0.186 4.536 4.350 -0.000 0.000 0.345 346 T C 0.301 175.036 174.700 0.058 0.000 1.562 346 T CA -0.619 61.464 62.100 -0.027 0.000 1.090 346 T CB 0.740 69.604 68.868 -0.006 0.000 1.383 346 T HN 0.055 nan 8.240 nan 0.000 0.484 347 L N 2.698 123.928 121.223 0.012 0.000 2.554 347 L HA 0.266 4.606 4.340 -0.000 0.000 0.226 347 L C 1.213 178.070 176.870 -0.022 0.000 1.137 347 L CA 0.053 54.898 54.840 0.009 0.000 0.863 347 L CB -0.198 41.855 42.059 -0.011 0.000 0.985 347 L HN 0.498 nan 8.230 nan 0.000 0.451 348 M N 1.549 121.125 119.600 -0.041 0.000 2.261 348 M HA -0.005 4.475 4.480 -0.000 0.000 0.350 348 M C -1.010 175.312 176.300 0.037 0.000 1.343 348 M CA -1.413 53.897 55.300 0.016 0.000 1.003 348 M CB -0.117 32.525 32.600 0.069 0.000 1.848 348 M HN -0.180 nan 8.290 nan 0.000 0.456 349 P HA -0.229 nan 4.420 nan 0.000 0.217 349 P C 1.022 178.319 177.300 -0.006 0.000 1.151 349 P CA 1.612 64.719 63.100 0.011 0.000 0.849 349 P CB -0.306 31.397 31.700 0.005 0.000 0.787 350 E N 0.588 120.792 120.200 0.007 0.000 2.219 350 E HA -0.170 4.180 4.350 -0.000 0.000 0.198 350 E C 1.643 178.238 176.600 -0.007 0.000 0.998 350 E CA 1.736 58.125 56.400 -0.017 0.000 0.818 350 E CB -1.036 28.656 29.700 -0.014 0.000 0.741 350 E HN 0.243 nan 8.360 nan 0.000 0.477 351 A N 0.974 123.799 122.820 0.009 0.000 2.275 351 A HA 0.268 4.588 4.320 -0.000 0.000 0.212 351 A C 1.213 178.800 177.584 0.005 0.000 1.201 351 A CA -0.278 51.749 52.037 -0.016 0.000 0.843 351 A CB 0.002 19.012 19.000 0.017 0.000 0.873 351 A HN 0.149 nan 8.150 nan 0.000 0.492 352 L N 1.557 122.787 121.223 0.012 0.000 2.589 352 L HA 0.261 4.601 4.340 -0.000 0.000 0.244 352 L C -0.441 176.405 176.870 -0.041 0.000 1.159 352 L CA -0.309 54.552 54.840 0.035 0.000 1.074 352 L CB 0.353 42.445 42.059 0.054 0.000 1.391 352 L HN 0.280 nan 8.230 nan 0.000 0.423 353 E N 1.940 122.095 120.200 -0.074 0.000 2.373 353 E HA 0.314 4.664 4.350 -0.000 0.000 0.267 353 E C -0.291 176.112 176.600 -0.328 0.000 1.032 353 E CA 0.001 56.250 56.400 -0.251 0.000 0.889 353 E CB 0.982 30.564 29.700 -0.198 0.000 0.984 353 E HN 0.365 nan 8.360 nan 0.000 0.425 354 R N 2.256 122.417 120.500 -0.565 0.000 2.628 354 R HA 0.407 4.747 4.340 -0.000 0.000 0.288 354 R C -1.396 174.477 176.300 -0.711 0.000 0.980 354 R CA -0.714 55.080 56.100 -0.510 0.000 0.891 354 R CB 1.379 31.430 30.300 -0.415 0.000 1.188 354 R HN 0.473 nan 8.270 nan 0.000 0.450 355 W N 1.594 122.852 121.300 -0.069 0.000 2.739 355 W HA 0.275 4.936 4.660 0.001 0.000 0.331 355 W C -0.555 175.956 176.519 -0.012 0.000 1.049 355 W CA -0.754 56.580 57.345 -0.018 0.000 1.234 355 W CB 1.426 30.884 29.460 -0.002 0.000 1.404 355 W HN 0.315 nan 8.180 nan 0.000 0.477 356 D N 1.672 122.214 120.400 0.236 0.000 2.493 356 D HA -0.049 4.591 4.640 -0.000 0.000 0.240 356 D C 1.239 177.640 176.300 0.168 0.000 1.142 356 D CA 0.342 54.440 54.000 0.163 0.000 0.872 356 D CB 1.626 42.525 40.800 0.166 0.000 1.173 356 D HN 0.154 nan 8.370 nan 0.000 0.467 357 V N 3.644 123.631 119.914 0.122 0.000 2.324 357 V HA -0.288 3.832 4.120 -0.000 0.000 0.250 357 V C 2.475 178.623 176.094 0.090 0.000 1.060 357 V CA 1.856 64.216 62.300 0.101 0.000 1.042 357 V CB -0.394 31.478 31.823 0.082 0.000 0.650 357 V HN 0.652 nan 8.190 nan 0.000 0.450 358 K N -0.336 120.120 120.400 0.093 0.000 2.044 358 K HA -0.261 4.059 4.320 -0.000 0.000 0.210 358 K C 2.170 178.836 176.600 0.110 0.000 1.049 358 K CA 2.153 58.494 56.287 0.089 0.000 0.927 358 K CB -0.269 32.282 32.500 0.085 0.000 0.713 358 K HN 0.386 nan 8.250 nan 0.000 0.443 359 L N 0.777 122.092 121.223 0.154 0.000 2.056 359 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 359 L C 1.991 178.891 176.870 0.050 0.000 1.078 359 L CA 1.364 56.299 54.840 0.158 0.000 0.749 359 L CB -0.311 41.888 42.059 0.233 0.000 0.901 359 L HN -0.017 nan 8.230 nan 0.000 0.433 360 V N -0.136 119.799 119.914 0.036 0.000 2.427 360 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 360 V C 2.628 178.695 176.094 -0.045 0.000 1.051 360 V CA 1.990 64.261 62.300 -0.047 0.000 1.048 360 V CB -0.768 31.045 31.823 -0.018 0.000 0.666 360 V HN 0.505 nan 8.190 nan 0.000 0.456 361 K N 0.373 120.773 120.400 0.000 0.000 2.097 361 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 361 K C 2.164 178.766 176.600 0.003 0.000 1.050 361 K CA 1.459 57.743 56.287 -0.004 0.000 0.938 361 K CB -0.514 31.998 32.500 0.021 0.000 0.718 361 K HN 0.484 nan 8.250 nan 0.000 0.442 362 G N 1.077 109.894 108.800 0.028 0.000 2.433 362 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 362 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 362 G C 1.291 176.212 174.900 0.034 0.000 1.186 362 G CA 0.450 45.578 45.100 0.045 0.000 0.779 362 G HN 0.163 nan 8.290 nan 0.000 0.543 363 L N -0.424 120.794 121.223 -0.009 0.000 2.131 363 L HA 0.389 4.729 4.340 -0.000 0.000 0.206 363 L C 1.210 178.045 176.870 -0.059 0.000 1.087 363 L CA 0.995 55.819 54.840 -0.027 0.000 0.767 363 L CB -0.205 41.792 42.059 -0.103 0.000 0.917 363 L HN 0.132 nan 8.230 nan 0.000 0.441 364 L N 0.452 121.584 121.223 -0.153 0.000 2.574 364 L HA 0.217 4.557 4.340 -0.000 0.000 0.258 364 L C -1.627 175.075 176.870 -0.279 0.000 1.520 364 L CA -0.658 54.002 54.840 -0.300 0.000 0.775 364 L CB 1.164 42.938 42.059 -0.476 0.000 1.028 364 L HN -0.084 nan 8.230 nan 0.000 0.516 365 P HA -0.176 nan 4.420 nan 0.000 0.218 365 P C 1.434 178.564 177.300 -0.283 0.000 1.149 365 P CA 1.067 64.049 63.100 -0.196 0.000 0.817 365 P CB 0.398 32.039 31.700 -0.099 0.000 0.785 366 R N -0.041 120.119 120.500 -0.567 0.000 2.073 366 R HA -0.123 4.217 4.340 -0.000 0.000 0.229 366 R C 2.291 178.328 176.300 -0.438 0.000 1.120 366 R CA 1.625 57.417 56.100 -0.513 0.000 0.967 366 R CB -1.664 28.198 30.300 -0.729 0.000 0.862 366 R HN 0.219 nan 8.270 nan 0.000 0.436 367 H N -0.929 117.888 119.070 -0.421 0.000 2.387 367 H HA -0.094 4.462 4.556 -0.000 0.000 0.299 367 H C 1.691 176.948 175.328 -0.119 0.000 1.099 367 H CA 2.024 57.931 56.048 -0.234 0.000 1.315 367 H CB -0.169 29.418 29.762 -0.292 0.000 1.380 367 H HN 0.134 nan 8.280 nan 0.000 0.513 368 M N 0.721 120.299 119.600 -0.036 0.000 2.117 368 M HA -0.187 4.293 4.480 -0.000 0.000 0.262 368 M C 1.881 178.188 176.300 0.011 0.000 1.065 368 M CA 1.613 56.913 55.300 -0.001 0.000 1.114 368 M CB -0.145 32.447 32.600 -0.013 0.000 1.361 368 M HN 0.238 nan 8.290 nan 0.000 0.408 369 Q N -0.451 119.335 119.800 -0.022 0.000 2.096 369 Q HA -0.196 4.143 4.340 -0.000 0.000 0.204 369 Q C 2.120 178.140 176.000 0.033 0.000 0.982 369 Q CA 2.034 57.834 55.803 -0.006 0.000 0.850 369 Q CB -0.404 28.318 28.738 -0.026 0.000 0.901 369 Q HN 0.557 nan 8.270 nan 0.000 0.422 370 I N 0.199 120.806 120.570 0.061 0.000 2.315 370 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 370 I C 2.124 178.384 176.117 0.238 0.000 1.117 370 I CA 0.949 62.368 61.300 0.199 0.000 1.404 370 I CB -0.162 37.951 38.000 0.188 0.000 1.071 370 I HN 0.192 nan 8.210 nan 0.000 0.419 371 I N 0.730 121.400 120.570 0.166 0.000 2.226 371 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 371 I C 2.235 178.447 176.117 0.158 0.000 1.100 371 I CA 1.265 62.670 61.300 0.176 0.000 1.374 371 I CB -0.500 37.582 38.000 0.136 0.000 1.057 371 I HN 0.285 nan 8.210 nan 0.000 0.413 372 N N 0.454 119.219 118.700 0.108 0.000 2.166 372 N HA -0.225 4.515 4.740 -0.000 0.000 0.186 372 N C 1.824 177.362 175.510 0.047 0.000 1.019 372 N CA 1.279 54.382 53.050 0.089 0.000 0.856 372 N CB -0.222 38.297 38.487 0.053 0.000 0.993 372 N HN 0.348 nan 8.380 nan 0.000 0.426 373 E N 1.146 121.332 120.200 -0.023 0.000 2.047 373 E HA -0.000 4.350 4.350 -0.000 0.000 0.191 373 E C 2.026 178.517 176.600 -0.183 0.000 0.987 373 E CA 0.767 57.028 56.400 -0.231 0.000 0.799 373 E CB -0.333 29.081 29.700 -0.477 0.000 0.752 373 E HN 0.313 nan 8.360 nan 0.000 0.449 374 I N 0.820 121.443 120.570 0.088 0.000 2.151 374 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 374 I C 2.315 178.558 176.117 0.211 0.000 1.080 374 I CA 1.531 62.957 61.300 0.210 0.000 1.339 374 I CB -0.504 37.710 38.000 0.356 0.000 1.039 374 I HN 0.223 nan 8.210 nan 0.000 0.409 375 N N 0.433 119.279 118.700 0.244 0.000 2.069 375 N HA -0.170 4.570 4.740 -0.000 0.000 0.191 375 N C 1.772 177.506 175.510 0.373 0.000 1.031 375 N CA 2.126 55.408 53.050 0.387 0.000 0.852 375 N CB -0.228 38.467 38.487 0.347 0.000 1.018 375 N HN 0.207 nan 8.380 nan 0.000 0.423 376 T N 0.313 114.966 114.554 0.165 0.000 2.674 376 T HA -0.049 4.301 4.350 -0.000 0.000 0.265 376 T C 1.890 176.589 174.700 -0.002 0.000 1.039 376 T CA 1.079 63.206 62.100 0.045 0.000 1.150 376 T CB -0.154 68.691 68.868 -0.038 0.000 0.864 376 T HN 0.277 nan 8.240 nan 0.000 0.427 377 R N -0.068 120.414 120.500 -0.030 0.000 2.096 377 R HA -0.041 4.299 4.340 -0.000 0.000 0.235 377 R C 2.173 178.551 176.300 0.130 0.000 1.127 377 R CA 1.228 57.308 56.100 -0.032 0.000 0.968 377 R CB -0.442 29.772 30.300 -0.145 0.000 0.861 377 R HN 0.314 nan 8.270 nan 0.000 0.440 378 F N 2.048 122.056 119.950 0.096 0.000 2.234 378 F HA -0.083 4.443 4.527 -0.001 0.000 0.299 378 F C 2.114 178.047 175.800 0.222 0.000 1.087 378 F CA 1.191 59.333 58.000 0.237 0.000 1.340 378 F CB -0.145 39.085 39.000 0.382 0.000 1.031 378 F HN -0.207 nan 8.300 nan 0.000 0.500 379 K N -0.415 119.952 120.400 -0.054 0.000 2.152 379 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 379 K C 1.918 178.276 176.600 -0.404 0.000 1.048 379 K CA 1.804 57.717 56.287 -0.622 0.000 0.933 379 K CB -0.253 31.766 32.500 -0.801 0.000 0.721 379 K HN 0.263 nan 8.250 nan 0.000 0.447 380 T N 1.785 116.215 114.554 -0.207 0.000 2.622 380 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 380 T C 1.651 176.285 174.700 -0.110 0.000 1.047 380 T CA 1.539 63.556 62.100 -0.138 0.000 1.159 380 T CB -0.259 68.566 68.868 -0.071 0.000 0.863 380 T HN 0.201 nan 8.240 nan 0.000 0.422 381 L N 1.357 122.542 121.223 -0.063 0.000 2.093 381 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 381 L C 2.323 179.138 176.870 -0.092 0.000 1.085 381 L CA 1.371 56.193 54.840 -0.030 0.000 0.755 381 L CB -0.619 41.510 42.059 0.117 0.000 0.904 381 L HN 0.087 nan 8.230 nan 0.000 0.435 382 V N -0.135 119.648 119.914 -0.218 0.000 2.626 382 V HA -0.204 3.915 4.120 -0.000 0.000 0.252 382 V C 2.577 178.681 176.094 0.017 0.000 1.067 382 V CA 1.602 63.870 62.300 -0.054 0.000 1.081 382 V CB -0.614 31.157 31.823 -0.087 0.000 0.686 382 V HN 0.583 nan 8.190 nan 0.000 0.468 383 E N 1.382 121.511 120.200 -0.118 0.000 2.076 383 E HA -0.200 4.150 4.350 -0.000 0.000 0.190 383 E C 2.250 178.817 176.600 -0.055 0.000 0.979 383 E CA 1.458 57.798 56.400 -0.100 0.000 0.807 383 E CB -0.401 29.196 29.700 -0.171 0.000 0.761 383 E HN 0.542 nan 8.360 nan 0.000 0.454 384 K N -0.570 119.788 120.400 -0.070 0.000 2.211 384 K HA -0.081 4.238 4.320 -0.000 0.000 0.203 384 K C 1.205 177.739 176.600 -0.111 0.000 1.050 384 K CA 1.683 57.926 56.287 -0.074 0.000 0.945 384 K CB -0.098 32.363 32.500 -0.065 0.000 0.732 384 K HN 0.133 nan 8.250 nan 0.000 0.451 385 T N -0.497 113.979 114.554 -0.130 0.000 3.040 385 T HA 0.056 4.406 4.350 -0.000 0.000 0.252 385 T C -0.092 174.337 174.700 -0.451 0.000 1.064 385 T CA 0.259 62.146 62.100 -0.355 0.000 1.110 385 T CB 0.127 68.692 68.868 -0.504 0.000 0.921 385 T HN 0.286 nan 8.240 nan 0.000 0.480 386 W N 2.513 123.766 121.300 -0.078 0.000 1.809 386 W HA 0.317 4.971 4.660 -0.010 0.000 0.298 386 W C -3.205 173.277 176.519 -0.062 0.000 0.905 386 W CA -2.578 54.731 57.345 -0.061 0.000 1.872 386 W CB 0.172 29.600 29.460 -0.052 0.000 2.092 386 W HN 0.019 nan 8.180 nan 0.000 0.403 387 P HA 0.000 nan 4.420 nan 0.000 0.260 387 P C 1.092 178.416 177.300 0.039 0.000 1.172 387 P CA 1.985 65.103 63.100 0.030 0.000 0.760 387 P CB 0.481 32.178 31.700 -0.004 0.000 0.773 388 G N 2.625 111.432 108.800 0.011 0.000 2.196 388 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.268 388 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.268 388 G C 0.319 175.238 174.900 0.030 0.000 0.975 388 G CA 0.213 45.318 45.100 0.008 0.000 0.648 388 G HN 0.632 nan 8.290 nan 0.000 0.538 389 D N 0.855 121.291 120.400 0.061 0.000 2.416 389 D HA 0.324 4.964 4.640 -0.000 0.000 0.240 389 D C 1.518 177.845 176.300 0.045 0.000 1.250 389 D CA -0.323 53.709 54.000 0.054 0.000 0.967 389 D CB 0.369 41.218 40.800 0.081 0.000 1.059 389 D HN 0.281 nan 8.370 nan 0.000 0.512 390 E N 2.733 122.963 120.200 0.050 0.000 2.285 390 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 390 E C 1.466 178.096 176.600 0.050 0.000 0.997 390 E CA 0.496 56.955 56.400 0.098 0.000 0.845 390 E CB 0.223 29.981 29.700 0.098 0.000 0.782 390 E HN 0.371 nan 8.360 nan 0.000 0.491 391 K N 0.534 120.921 120.400 -0.022 0.000 2.057 391 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 391 K C 2.023 178.517 176.600 -0.178 0.000 1.050 391 K CA 0.591 56.825 56.287 -0.089 0.000 0.935 391 K CB -0.195 32.254 32.500 -0.085 0.000 0.715 391 K HN -0.098 nan 8.250 nan 0.000 0.439 392 V N 0.283 120.067 119.914 -0.216 0.000 2.307 392 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 392 V C 1.890 177.810 176.094 -0.289 0.000 1.045 392 V CA 1.784 63.848 62.300 -0.394 0.000 1.024 392 V CB -0.491 30.903 31.823 -0.716 0.000 0.651 392 V HN 0.576 nan 8.190 nan 0.000 0.449 393 W N 0.917 122.036 121.300 -0.301 0.000 2.325 393 W HA -0.270 4.388 4.660 -0.003 0.000 0.299 393 W C 2.253 178.588 176.519 -0.307 0.000 1.215 393 W CA 1.679 58.886 57.345 -0.230 0.000 1.244 393 W CB -0.140 29.250 29.460 -0.116 0.000 1.140 393 W HN 0.318 nan 8.180 nan 0.000 0.523 394 A N 0.430 122.941 122.820 -0.515 0.000 2.070 394 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 394 A C 2.011 179.117 177.584 -0.797 0.000 1.159 394 A CA 1.899 53.347 52.037 -0.982 0.000 0.656 394 A CB -0.669 17.985 19.000 -0.578 0.000 0.800 394 A HN 0.403 nan 8.150 nan 0.000 0.453 395 K N -0.734 119.336 120.400 -0.551 0.000 2.202 395 K HA 0.237 4.557 4.320 -0.000 0.000 0.201 395 K C 1.539 177.885 176.600 -0.424 0.000 1.051 395 K CA 0.321 56.346 56.287 -0.437 0.000 0.977 395 K CB -0.058 32.231 32.500 -0.351 0.000 0.792 395 K HN 0.439 nan 8.250 nan 0.000 0.469 396 L N 1.202 122.159 121.223 -0.443 0.000 2.418 396 L HA 0.163 4.503 4.340 -0.000 0.000 0.218 396 L C 0.910 177.741 176.870 -0.064 0.000 1.125 396 L CA -0.235 54.449 54.840 -0.260 0.000 0.835 396 L CB -0.169 41.800 42.059 -0.150 0.000 0.953 396 L HN 0.096 nan 8.230 nan 0.000 0.454 397 A N 0.093 122.533 122.820 -0.633 0.000 2.498 397 A HA 0.196 4.516 4.320 -0.000 0.000 0.239 397 A C 1.272 178.729 177.584 -0.212 0.000 1.068 397 A CA -0.144 51.388 52.037 -0.841 0.000 0.766 397 A CB 0.732 18.862 19.000 -1.451 0.000 1.003 397 A HN -0.009 nan 8.150 nan 0.000 0.497 398 V N 2.238 122.187 119.914 0.058 0.000 2.488 398 V HA -0.057 4.063 4.120 -0.000 0.000 0.246 398 V C 0.636 176.857 176.094 0.211 0.000 1.046 398 V CA 1.349 63.746 62.300 0.163 0.000 1.053 398 V CB -0.270 31.672 31.823 0.198 0.000 0.679 398 V HN 0.565 nan 8.190 nan 0.000 0.458 399 V N 1.169 121.201 119.914 0.198 0.000 2.487 399 V HA 0.579 4.699 4.120 -0.000 0.000 0.298 399 V C -0.661 175.571 176.094 0.231 0.000 1.028 399 V CA -0.528 61.913 62.300 0.236 0.000 0.860 399 V CB 1.492 33.440 31.823 0.208 0.000 0.991 399 V HN 0.481 nan 8.190 nan 0.000 0.427 400 H N 3.581 122.730 119.070 0.132 0.000 3.140 400 H HA 0.203 4.760 4.556 0.002 0.000 0.336 400 H C -0.621 174.786 175.328 0.133 0.000 1.142 400 H CA -0.279 55.803 56.048 0.058 0.000 1.308 400 H CB 2.009 31.672 29.762 -0.165 0.000 1.970 400 H HN 0.748 nan 8.280 nan 0.000 0.521 401 D N 3.516 123.804 120.400 -0.187 0.000 2.689 401 D HA -0.194 4.446 4.640 -0.000 0.000 0.237 401 D C -0.153 176.169 176.300 0.037 0.000 1.148 401 D CA 1.750 55.724 54.000 -0.042 0.000 0.656 401 D CB -0.928 39.926 40.800 0.090 0.000 1.050 401 D HN 0.793 nan 8.370 nan 0.000 0.426 402 K N -1.398 119.016 120.400 0.023 0.000 3.088 402 K HA -0.269 4.051 4.320 -0.000 0.000 0.273 402 K C -0.054 176.588 176.600 0.069 0.000 1.111 402 K CA 1.253 57.568 56.287 0.046 0.000 0.803 402 K CB -0.924 31.596 32.500 0.033 0.000 1.226 402 K HN 0.600 nan 8.250 nan 0.000 0.485 403 Q N -0.109 119.745 119.800 0.091 0.000 2.389 403 Q HA 0.454 4.794 4.340 -0.000 0.000 0.277 403 Q C -0.789 175.260 176.000 0.082 0.000 1.082 403 Q CA -0.966 54.864 55.803 0.045 0.000 0.810 403 Q CB 2.928 31.628 28.738 -0.063 0.000 1.374 403 Q HN -0.011 nan 8.270 nan 0.000 0.422 404 V N 1.989 121.940 119.914 0.061 0.000 2.439 404 V HA 0.242 4.362 4.120 -0.000 0.000 0.282 404 V C -0.332 175.749 176.094 -0.022 0.000 1.039 404 V CA -0.522 61.850 62.300 0.119 0.000 0.913 404 V CB 1.095 33.028 31.823 0.182 0.000 0.983 404 V HN 0.652 nan 8.190 nan 0.000 0.460 405 H N 6.089 125.218 119.070 0.098 0.000 2.690 405 H HA 0.266 4.822 4.556 0.001 0.000 0.280 405 H C 0.412 175.782 175.328 0.070 0.000 1.138 405 H CA -0.713 55.377 56.048 0.070 0.000 1.241 405 H CB 1.535 31.333 29.762 0.060 0.000 1.394 405 H HN 0.539 nan 8.280 nan 0.000 0.489 406 M N 1.384 121.054 119.600 0.116 0.000 2.175 406 M HA -0.082 4.397 4.480 -0.000 0.000 0.264 406 M C 2.340 178.625 176.300 -0.025 0.000 1.063 406 M CA 0.925 56.274 55.300 0.082 0.000 1.119 406 M CB -0.941 31.740 32.600 0.135 0.000 1.377 406 M HN 0.611 nan 8.290 nan 0.000 0.415 407 A N 0.618 123.447 122.820 0.016 0.000 1.930 407 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 407 A C 2.024 179.543 177.584 -0.108 0.000 1.175 407 A CA 1.531 53.530 52.037 -0.063 0.000 0.627 407 A CB -0.650 18.509 19.000 0.265 0.000 0.815 407 A HN 0.447 nan 8.150 nan 0.000 0.443 408 N N -0.011 118.738 118.700 0.082 0.000 2.120 408 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 408 N C 1.565 176.995 175.510 -0.134 0.000 1.024 408 N CA 1.441 54.528 53.050 0.060 0.000 0.852 408 N CB -0.588 38.043 38.487 0.241 0.000 1.003 408 N HN 0.407 nan 8.380 nan 0.000 0.424 409 L N 0.957 122.135 121.223 -0.074 0.000 2.083 409 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 409 L C 2.078 178.810 176.870 -0.231 0.000 1.083 409 L CA 1.415 56.198 54.840 -0.095 0.000 0.752 409 L CB -0.975 41.074 42.059 -0.016 0.000 0.899 409 L HN 0.148 nan 8.230 nan 0.000 0.433 410 C N -1.654 117.426 119.300 -0.365 0.000 2.432 410 C HA -0.145 4.315 4.460 -0.000 0.000 0.277 410 C C 2.959 177.652 174.990 -0.496 0.000 1.249 410 C CA 1.150 59.853 59.018 -0.524 0.000 1.725 410 C CB -1.028 26.080 27.740 -1.053 0.000 2.028 410 C HN 0.603 nan 8.230 nan 0.000 0.477 411 V N 0.365 119.924 119.914 -0.592 0.000 2.453 411 V HA -0.087 4.033 4.120 -0.000 0.000 0.247 411 V C 2.144 177.896 176.094 -0.570 0.000 1.048 411 V CA 2.305 64.233 62.300 -0.619 0.000 1.049 411 V CB -0.483 30.823 31.823 -0.862 0.000 0.672 411 V HN 0.394 nan 8.190 nan 0.000 0.457 412 V N 1.286 120.894 119.914 -0.509 0.000 2.667 412 V HA 0.023 4.142 4.120 -0.000 0.000 0.252 412 V C 2.625 178.621 176.094 -0.163 0.000 1.065 412 V CA 1.912 63.983 62.300 -0.382 0.000 1.083 412 V CB -0.874 30.713 31.823 -0.394 0.000 0.692 412 V HN 0.677 nan 8.190 nan 0.000 0.468 413 G N -0.845 107.842 108.800 -0.189 0.000 2.887 413 G HA2 0.345 4.305 3.960 -0.000 0.000 0.211 413 G HA3 0.345 4.305 3.960 -0.000 0.000 0.211 413 G C 0.651 175.358 174.900 -0.321 0.000 1.152 413 G CA 0.643 45.604 45.100 -0.233 0.000 0.769 413 G HN 0.609 nan 8.290 nan 0.000 0.541 414 G N -0.451 108.185 108.800 -0.274 0.000 2.705 414 G HA2 0.460 4.420 3.960 -0.000 0.000 0.299 414 G HA3 0.460 4.420 3.960 -0.000 0.000 0.299 414 G C 0.207 174.975 174.900 -0.220 0.000 1.315 414 G CA -0.582 44.404 45.100 -0.192 0.000 1.045 414 G HN 0.280 nan 8.290 nan 0.000 0.517 415 F N -1.722 118.142 119.950 -0.143 0.000 2.678 415 F HA 0.754 5.281 4.527 0.000 0.000 0.305 415 F C 0.393 176.142 175.800 -0.085 0.000 1.090 415 F CA -0.509 57.406 58.000 -0.141 0.000 1.272 415 F CB 0.274 39.221 39.000 -0.088 0.000 1.060 415 F HN 0.554 nan 8.300 nan 0.000 0.576 416 A N 0.400 122.773 122.820 -0.745 0.000 2.574 416 A HA 0.755 5.075 4.320 -0.000 0.000 0.297 416 A C -1.729 175.635 177.584 -0.367 0.000 1.062 416 A CA -0.673 51.094 52.037 -0.451 0.000 0.686 416 A CB 1.544 20.237 19.000 -0.512 0.000 1.285 416 A HN 0.073 nan 8.150 nan 0.000 0.403 417 V N 3.401 123.137 119.914 -0.296 0.000 2.638 417 V HA 0.579 4.699 4.120 -0.000 0.000 0.306 417 V C -0.800 175.229 176.094 -0.109 0.000 1.052 417 V CA -0.750 61.377 62.300 -0.289 0.000 0.885 417 V CB 1.943 33.431 31.823 -0.558 0.000 0.999 417 V HN 1.046 nan 8.190 nan 0.000 0.424 418 N N 2.781 121.416 118.700 -0.108 0.000 2.229 418 N HA 0.639 5.379 4.740 -0.000 0.000 0.298 418 N C -0.320 175.169 175.510 -0.036 0.000 1.114 418 N CA -0.347 52.685 53.050 -0.030 0.000 0.776 418 N CB 2.962 41.400 38.487 -0.083 0.000 1.501 418 N HN 0.672 nan 8.380 nan 0.000 0.474 419 G N -0.795 108.017 108.800 0.020 0.000 2.557 419 G HA2 0.451 4.411 3.960 -0.000 0.000 0.302 419 G HA3 0.451 4.411 3.960 -0.000 0.000 0.302 419 G C 0.688 175.678 174.900 0.150 0.000 1.311 419 G CA -0.345 44.819 45.100 0.107 0.000 1.030 419 G HN 0.694 nan 8.290 nan 0.000 0.509 420 V N -4.337 115.768 119.914 0.317 0.000 3.432 420 V HA 0.712 4.832 4.120 -0.000 0.000 0.298 420 V C 0.554 176.735 176.094 0.144 0.000 1.464 420 V CA 0.630 63.025 62.300 0.157 0.000 1.046 420 V CB -0.481 31.403 31.823 0.101 0.000 0.887 420 V HN 1.281 nan 8.190 nan 0.000 0.441 421 A N -0.456 122.464 122.820 0.166 0.000 2.602 421 A HA 0.913 5.233 4.320 -0.000 0.000 0.290 421 A C 0.919 178.563 177.584 0.100 0.000 1.114 421 A CA 0.029 52.140 52.037 0.123 0.000 0.683 421 A CB 0.975 20.041 19.000 0.110 0.000 1.281 421 A HN 0.808 nan 8.150 nan 0.000 0.416 422 A N -0.184 122.677 122.820 0.068 0.000 1.902 422 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 422 A C 1.923 179.522 177.584 0.025 0.000 1.181 422 A CA 1.814 53.873 52.037 0.035 0.000 0.623 422 A CB -0.813 18.201 19.000 0.024 0.000 0.818 422 A HN 1.162 nan 8.150 nan 0.000 0.443 423 L N -1.154 120.091 121.223 0.038 0.000 2.017 423 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 423 L C 2.723 179.612 176.870 0.031 0.000 1.073 423 L CA 2.237 57.091 54.840 0.023 0.000 0.745 423 L CB -0.509 41.566 42.059 0.026 0.000 0.894 423 L HN 0.711 nan 8.230 nan 0.000 0.432 424 H N -0.976 118.083 119.070 -0.019 0.000 2.387 424 H HA -0.125 4.432 4.556 0.001 0.000 0.299 424 H C 2.064 177.384 175.328 -0.014 0.000 1.090 424 H CA 1.644 57.678 56.048 -0.023 0.000 1.332 424 H CB 0.336 30.089 29.762 -0.016 0.000 1.386 424 H HN 0.363 nan 8.280 nan 0.000 0.516 425 S N 0.082 115.690 115.700 -0.153 0.000 2.453 425 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 425 S C 1.602 176.112 174.600 -0.149 0.000 1.005 425 S CA 1.064 59.161 58.200 -0.171 0.000 0.949 425 S CB -0.096 63.082 63.200 -0.036 0.000 0.774 425 S HN 0.535 nan 8.310 nan 0.000 0.510 426 D N 1.837 122.161 120.400 -0.127 0.000 2.084 426 D HA -0.019 4.620 4.640 -0.000 0.000 0.196 426 D C 1.762 177.970 176.300 -0.154 0.000 0.985 426 D CA 0.912 54.837 54.000 -0.126 0.000 0.826 426 D CB -0.198 40.554 40.800 -0.081 0.000 0.978 426 D HN 0.263 nan 8.370 nan 0.000 0.456 427 L N -0.169 120.960 121.223 -0.156 0.000 2.191 427 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 427 L C 2.479 179.226 176.870 -0.206 0.000 1.103 427 L CA 0.300 55.046 54.840 -0.156 0.000 0.769 427 L CB -0.296 41.695 42.059 -0.114 0.000 0.908 427 L HN 0.056 nan 8.230 nan 0.000 0.438 428 V N -0.732 119.018 119.914 -0.274 0.000 2.407 428 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 428 V C 2.272 178.303 176.094 -0.105 0.000 1.055 428 V CA 1.452 63.632 62.300 -0.201 0.000 1.049 428 V CB -0.018 31.725 31.823 -0.133 0.000 0.662 428 V HN 0.226 nan 8.190 nan 0.000 0.455 429 V N -1.023 118.785 119.914 -0.178 0.000 2.878 429 V HA -0.066 4.054 4.120 -0.000 0.000 0.250 429 V C 2.211 178.165 176.094 -0.233 0.000 1.075 429 V CA 1.435 63.543 62.300 -0.321 0.000 1.096 429 V CB -0.240 31.251 31.823 -0.553 0.000 0.724 429 V HN 0.504 nan 8.190 nan 0.000 0.467 430 K N -0.420 119.875 120.400 -0.176 0.000 2.168 430 K HA 0.010 4.330 4.320 -0.000 0.000 0.201 430 K C 1.519 178.053 176.600 -0.111 0.000 1.049 430 K CA 1.172 57.386 56.287 -0.121 0.000 0.974 430 K CB 0.032 32.470 32.500 -0.104 0.000 0.792 430 K HN 0.355 nan 8.250 nan 0.000 0.463 431 D N 0.236 120.555 120.400 -0.135 0.000 2.324 431 D HA -0.030 4.610 4.640 -0.000 0.000 0.212 431 D C 1.557 177.745 176.300 -0.186 0.000 0.984 431 D CA 0.424 54.342 54.000 -0.137 0.000 0.885 431 D CB 0.239 40.962 40.800 -0.128 0.000 0.996 431 D HN -0.041 nan 8.370 nan 0.000 0.505 432 L N -1.102 119.956 121.223 -0.276 0.000 2.262 432 L HA 0.242 4.581 4.340 -0.000 0.000 0.197 432 L C 0.103 176.664 176.870 -0.515 0.000 1.073 432 L CA 1.178 55.704 54.840 -0.522 0.000 0.800 432 L CB 0.144 41.730 42.059 -0.789 0.000 0.987 432 L HN -0.174 nan 8.230 nan 0.000 0.470 433 F N 0.057 120.052 119.950 0.075 0.000 2.749 433 F HA 0.412 4.938 4.527 -0.001 0.000 0.380 433 F C -1.714 174.097 175.800 0.020 0.000 1.365 433 F CA -2.182 55.915 58.000 0.162 0.000 1.186 433 F CB -0.475 38.797 39.000 0.454 0.000 1.080 433 F HN 0.004 nan 8.300 nan 0.000 0.513 434 P HA -0.168 nan 4.420 nan 0.000 0.215 434 P C 1.090 178.449 177.300 0.099 0.000 1.157 434 P CA 1.728 64.853 63.100 0.043 0.000 0.868 434 P CB 0.435 32.129 31.700 -0.011 0.000 0.788 435 E N -1.116 119.101 120.200 0.028 0.000 2.106 435 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 435 E C 2.147 178.853 176.600 0.176 0.000 0.984 435 E CA 1.100 57.521 56.400 0.034 0.000 0.806 435 E CB -1.030 28.485 29.700 -0.309 0.000 0.750 435 E HN 0.294 nan 8.360 nan 0.000 0.458 436 Y N 0.216 120.668 120.300 0.252 0.000 2.224 436 Y HA -0.201 4.351 4.550 0.003 0.000 0.289 436 Y C 2.420 178.529 175.900 0.348 0.000 1.146 436 Y CA 1.430 59.738 58.100 0.348 0.000 1.182 436 Y CB -0.748 38.045 38.460 0.555 0.000 0.983 436 Y HN 0.316 nan 8.280 nan 0.000 0.524 437 H N 0.315 119.479 119.070 0.157 0.000 2.321 437 H HA -0.182 4.372 4.556 -0.004 0.000 0.300 437 H C 1.809 177.187 175.328 0.082 0.000 1.087 437 H CA 1.843 57.821 56.048 -0.116 0.000 1.319 437 H CB 0.116 29.606 29.762 -0.452 0.000 1.379 437 H HN 0.426 nan 8.280 nan 0.000 0.501 438 Q N 0.208 120.003 119.800 -0.008 0.000 2.152 438 Q HA -0.166 4.173 4.340 -0.000 0.000 0.206 438 Q C 2.696 178.648 176.000 -0.080 0.000 0.985 438 Q CA 1.504 57.276 55.803 -0.051 0.000 0.863 438 Q CB 0.078 28.877 28.738 0.102 0.000 0.904 438 Q HN 0.492 nan 8.270 nan 0.000 0.422 439 L N -1.289 119.904 121.223 -0.050 0.000 2.095 439 L HA -0.072 4.268 4.340 -0.000 0.000 0.204 439 L C 0.556 177.287 176.870 -0.231 0.000 1.080 439 L CA 0.506 55.174 54.840 -0.286 0.000 0.759 439 L CB 0.219 41.908 42.059 -0.617 0.000 0.914 439 L HN 0.322 nan 8.230 nan 0.000 0.439 440 W N -0.327 121.109 121.300 0.226 0.000 2.036 440 W HA 0.294 4.955 4.660 0.003 0.000 0.294 440 W C -1.951 174.713 176.519 0.242 0.000 0.948 440 W CA -1.709 55.772 57.345 0.226 0.000 1.774 440 W CB -0.224 29.401 29.460 0.275 0.000 1.950 440 W HN -0.033 nan 8.180 nan 0.000 0.384 441 P HA -0.176 nan 4.420 nan 0.000 0.218 441 P C 1.122 178.593 177.300 0.285 0.000 1.149 441 P CA 1.521 64.612 63.100 -0.015 0.000 0.817 441 P CB 0.466 32.039 31.700 -0.212 0.000 0.785 442 N N 0.309 119.150 118.700 0.235 0.000 2.512 442 N HA -0.089 4.650 4.740 -0.000 0.000 0.183 442 N C 1.618 177.174 175.510 0.078 0.000 1.073 442 N CA 0.751 53.893 53.050 0.153 0.000 0.911 442 N CB -0.393 38.182 38.487 0.147 0.000 0.964 442 N HN 0.433 nan 8.380 nan 0.000 0.447 443 K N -0.454 120.041 120.400 0.158 0.000 2.393 443 K HA 0.059 4.379 4.320 -0.000 0.000 0.193 443 K C -0.446 175.985 176.600 -0.282 0.000 1.026 443 K CA -0.015 56.267 56.287 -0.009 0.000 1.064 443 K CB 0.090 32.557 32.500 -0.055 0.000 0.833 443 K HN -0.165 nan 8.250 nan 0.000 0.521 444 F N 2.163 122.026 119.950 -0.145 0.000 2.404 444 F HA 0.369 4.901 4.527 0.007 0.000 0.339 444 F C 0.603 176.147 175.800 -0.426 0.000 1.105 444 F CA -0.434 57.490 58.000 -0.126 0.000 1.087 444 F CB 0.903 39.937 39.000 0.057 0.000 1.143 444 F HN 0.017 nan 8.300 nan 0.000 0.491 445 H N 0.903 120.033 119.070 0.101 0.000 2.977 445 H HA 0.274 4.831 4.556 0.002 0.000 0.350 445 H C -1.168 174.143 175.328 -0.028 0.000 1.238 445 H CA -1.083 54.973 56.048 0.014 0.000 1.124 445 H CB 2.358 32.078 29.762 -0.070 0.000 1.866 445 H HN 0.492 nan 8.280 nan 0.000 0.550 446 N N 0.905 119.651 118.700 0.077 0.000 2.362 446 N HA 0.339 5.079 4.740 -0.000 0.000 0.298 446 N C -1.500 173.935 175.510 -0.125 0.000 1.048 446 N CA -0.370 52.673 53.050 -0.012 0.000 0.858 446 N CB 1.830 40.314 38.487 -0.005 0.000 1.218 446 N HN 0.185 nan 8.380 nan 0.000 0.488 447 V N 2.334 122.120 119.914 -0.212 0.000 2.482 447 V HA 0.232 4.351 4.120 -0.000 0.000 0.295 447 V C 0.013 176.051 176.094 -0.094 0.000 1.026 447 V CA -0.772 61.339 62.300 -0.315 0.000 0.856 447 V CB 1.408 32.723 31.823 -0.847 0.000 1.001 447 V HN 0.652 nan 8.190 nan 0.000 0.424 448 T N 4.555 119.099 114.554 -0.017 0.000 2.888 448 T HA 0.147 4.496 4.350 -0.000 0.000 0.301 448 T C 0.545 175.360 174.700 0.191 0.000 1.001 448 T CA -0.153 62.005 62.100 0.097 0.000 1.147 448 T CB 0.070 69.002 68.868 0.107 0.000 0.931 448 T HN 0.637 nan 8.240 nan 0.000 0.541 449 N N 1.279 120.129 118.700 0.250 0.000 2.273 449 N HA 0.382 5.122 4.740 -0.000 0.000 0.227 449 N C 0.532 176.248 175.510 0.343 0.000 1.292 449 N CA 0.398 53.645 53.050 0.328 0.000 0.875 449 N CB 0.318 38.933 38.487 0.213 0.000 1.105 449 N HN 0.896 nan 8.380 nan 0.000 0.434 450 G N -1.327 107.702 108.800 0.381 0.000 2.682 450 G HA2 0.639 4.599 3.960 -0.000 0.000 0.290 450 G HA3 0.639 4.599 3.960 -0.000 0.000 0.290 450 G C -1.304 173.758 174.900 0.270 0.000 1.425 450 G CA -0.662 44.639 45.100 0.335 0.000 0.807 450 G HN 0.570 nan 8.290 nan 0.000 0.482 451 I N -2.478 118.233 120.570 0.235 0.000 2.828 451 I HA 0.788 4.958 4.170 -0.000 0.000 0.302 451 I C -0.087 176.204 176.117 0.291 0.000 1.101 451 I CA -0.979 60.449 61.300 0.213 0.000 1.031 451 I CB 2.279 40.308 38.000 0.049 0.000 1.231 451 I HN 0.466 nan 8.210 nan 0.000 0.427 452 T N 3.731 118.511 114.554 0.377 0.000 2.832 452 T HA 0.465 4.815 4.350 -0.000 0.000 0.296 452 T C -1.795 173.065 174.700 0.268 0.000 0.968 452 T CA -1.562 60.699 62.100 0.269 0.000 1.107 452 T CB 0.925 69.895 68.868 0.170 0.000 0.916 452 T HN 0.604 nan 8.240 nan 0.000 0.517 453 P HA 0.064 nan 4.420 nan 0.000 0.226 453 P C 1.164 178.510 177.300 0.077 0.000 1.153 453 P CA 0.417 63.630 63.100 0.189 0.000 0.777 453 P CB 0.299 32.111 31.700 0.187 0.000 0.794 454 R N -0.160 120.300 120.500 -0.067 0.000 2.078 454 R HA 0.015 4.354 4.340 -0.000 0.000 0.224 454 R C 2.499 178.714 176.300 -0.141 0.000 1.149 454 R CA 1.439 57.443 56.100 -0.160 0.000 0.916 454 R CB -1.344 28.847 30.300 -0.182 0.000 0.821 454 R HN 0.004 nan 8.270 nan 0.000 0.434 455 R N -0.597 119.764 120.500 -0.232 0.000 2.096 455 R HA -0.169 4.171 4.340 -0.000 0.000 0.240 455 R C 1.449 177.458 176.300 -0.486 0.000 1.139 455 R CA 2.036 57.849 56.100 -0.478 0.000 0.952 455 R CB -0.303 29.509 30.300 -0.813 0.000 0.854 455 R HN 0.328 nan 8.270 nan 0.000 0.436 456 W N -0.804 120.512 121.300 0.026 0.000 3.256 456 W HA 0.242 4.902 4.660 0.001 0.000 0.269 456 W C 1.127 177.676 176.519 0.050 0.000 1.310 456 W CA -0.360 57.005 57.345 0.034 0.000 1.673 456 W CB 0.411 29.895 29.460 0.040 0.000 1.115 456 W HN 0.156 nan 8.180 nan 0.000 0.686 457 I N -2.017 118.674 120.570 0.202 0.000 3.859 457 I HA -0.017 4.153 4.170 -0.000 0.000 0.266 457 I C 2.102 178.319 176.117 0.167 0.000 1.132 457 I CA -0.038 61.376 61.300 0.188 0.000 1.361 457 I CB -0.181 37.962 38.000 0.240 0.000 1.690 457 I HN -0.408 nan 8.210 nan 0.000 0.424 458 K N 1.141 121.660 120.400 0.197 0.000 2.063 458 K HA -0.242 4.078 4.320 -0.000 0.000 0.208 458 K C 2.117 178.717 176.600 -0.001 0.000 1.048 458 K CA 2.016 58.380 56.287 0.129 0.000 0.928 458 K CB 0.079 32.569 32.500 -0.016 0.000 0.713 458 K HN 0.256 nan 8.250 nan 0.000 0.442 459 Q N -0.278 119.484 119.800 -0.063 0.000 2.134 459 Q HA -0.108 4.232 4.340 -0.000 0.000 0.195 459 Q C 2.403 178.338 176.000 -0.108 0.000 0.958 459 Q CA 1.405 57.135 55.803 -0.122 0.000 0.840 459 Q CB 0.118 28.756 28.738 -0.167 0.000 0.918 459 Q HN 0.619 nan 8.270 nan 0.000 0.467 460 C N -0.121 119.123 119.300 -0.092 0.000 2.485 460 C HA 0.225 4.685 4.460 -0.000 0.000 0.278 460 C C 1.198 176.174 174.990 -0.024 0.000 1.356 460 C CA -0.080 58.900 59.018 -0.064 0.000 1.747 460 C CB -0.633 27.084 27.740 -0.039 0.000 2.001 460 C HN 0.332 nan 8.230 nan 0.000 0.501 461 N N 1.631 120.329 118.700 -0.004 0.000 2.886 461 N HA 0.323 5.063 4.740 -0.000 0.000 0.285 461 N C -1.664 173.835 175.510 -0.020 0.000 1.706 461 N CA -1.960 51.081 53.050 -0.015 0.000 0.904 461 N CB 0.666 39.148 38.487 -0.009 0.000 1.224 461 N HN 0.331 nan 8.380 nan 0.000 0.488 462 P HA -0.086 nan 4.420 nan 0.000 0.218 462 P C 1.023 178.307 177.300 -0.027 0.000 1.149 462 P CA 0.829 63.910 63.100 -0.031 0.000 0.817 462 P CB 0.372 32.028 31.700 -0.074 0.000 0.785 463 A N -0.106 122.684 122.820 -0.051 0.000 1.930 463 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 463 A C 2.201 179.728 177.584 -0.095 0.000 1.175 463 A CA 1.382 53.378 52.037 -0.069 0.000 0.627 463 A CB -1.583 17.367 19.000 -0.083 0.000 0.815 463 A HN 0.194 nan 8.150 nan 0.000 0.443 464 L N -0.310 120.843 121.223 -0.116 0.000 2.093 464 L HA 0.005 4.344 4.340 -0.000 0.000 0.208 464 L C 2.585 179.386 176.870 -0.115 0.000 1.085 464 L CA 2.088 56.834 54.840 -0.157 0.000 0.755 464 L CB -0.698 41.249 42.059 -0.187 0.000 0.904 464 L HN 0.312 nan 8.230 nan 0.000 0.435 465 A N -0.307 122.503 122.820 -0.016 0.000 1.902 465 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 465 A C 2.466 180.163 177.584 0.187 0.000 1.181 465 A CA 1.751 53.881 52.037 0.155 0.000 0.623 465 A CB -1.193 18.022 19.000 0.357 0.000 0.818 465 A HN 0.576 nan 8.150 nan 0.000 0.443 466 A N -0.553 122.322 122.820 0.092 0.000 1.902 466 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 466 A C 2.119 179.717 177.584 0.023 0.000 1.181 466 A CA 1.738 53.816 52.037 0.068 0.000 0.623 466 A CB -0.626 18.386 19.000 0.020 0.000 0.818 466 A HN 0.644 nan 8.150 nan 0.000 0.443 467 L N -0.032 121.163 121.223 -0.046 0.000 2.042 467 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 467 L C 2.308 179.132 176.870 -0.076 0.000 1.076 467 L CA 1.671 56.457 54.840 -0.089 0.000 0.749 467 L CB -0.458 41.496 42.059 -0.175 0.000 0.893 467 L HN 0.431 nan 8.230 nan 0.000 0.432 468 L N -0.987 120.156 121.223 -0.133 0.000 2.046 468 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 468 L C 2.268 179.136 176.870 -0.003 0.000 1.077 468 L CA 1.347 56.033 54.840 -0.257 0.000 0.747 468 L CB -1.018 40.514 42.059 -0.878 0.000 0.896 468 L HN 0.274 nan 8.230 nan 0.000 0.432 469 D N 0.347 120.888 120.400 0.236 0.000 2.123 469 D HA -0.226 4.414 4.640 -0.000 0.000 0.196 469 D C 2.121 178.507 176.300 0.143 0.000 0.992 469 D CA 1.413 55.591 54.000 0.297 0.000 0.833 469 D CB -0.032 40.915 40.800 0.246 0.000 0.954 469 D HN 0.283 nan 8.370 nan 0.000 0.455 470 K N 0.337 120.780 120.400 0.072 0.000 2.103 470 K HA -0.002 4.318 4.320 -0.000 0.000 0.204 470 K C 1.862 178.470 176.600 0.013 0.000 1.052 470 K CA 1.037 57.349 56.287 0.041 0.000 0.945 470 K CB 0.219 32.730 32.500 0.019 0.000 0.722 470 K HN -0.096 nan 8.250 nan 0.000 0.443 471 S N 0.369 116.032 115.700 -0.063 0.000 2.478 471 S HA 0.160 4.630 4.470 -0.000 0.000 0.222 471 S C 0.400 174.960 174.600 -0.067 0.000 1.008 471 S CA 0.105 58.168 58.200 -0.228 0.000 0.928 471 S CB 0.081 62.927 63.200 -0.591 0.000 0.781 471 S HN 0.140 nan 8.310 nan 0.000 0.518 472 L N 1.446 122.683 121.223 0.024 0.000 2.325 472 L HA 0.406 4.746 4.340 -0.000 0.000 0.278 472 L C 1.414 178.361 176.870 0.128 0.000 1.023 472 L CA -0.521 54.379 54.840 0.100 0.000 0.811 472 L CB 1.148 43.282 42.059 0.126 0.000 1.249 472 L HN -0.022 nan 8.230 nan 0.000 0.431 473 Q N 1.795 121.667 119.800 0.120 0.000 2.084 473 Q HA -0.041 4.298 4.340 -0.000 0.000 0.202 473 Q C 0.011 176.073 176.000 0.104 0.000 0.978 473 Q CA 1.377 57.241 55.803 0.102 0.000 0.844 473 Q CB 0.405 29.193 28.738 0.083 0.000 0.898 473 Q HN 0.534 nan 8.270 nan 0.000 0.426 474 K N 0.921 121.393 120.400 0.119 0.000 2.185 474 K HA 0.181 4.501 4.320 -0.000 0.000 0.240 474 K C -0.665 176.020 176.600 0.141 0.000 0.983 474 K CA -0.664 55.687 56.287 0.106 0.000 0.873 474 K CB 1.225 33.777 32.500 0.087 0.000 1.118 474 K HN -0.076 nan 8.250 nan 0.000 0.441 475 E N 2.076 122.321 120.200 0.074 0.000 2.480 475 E HA -0.109 4.240 4.350 -0.000 0.000 0.258 475 E C 0.120 176.737 176.600 0.029 0.000 0.984 475 E CA 0.296 56.689 56.400 -0.012 0.000 0.930 475 E CB 0.280 29.954 29.700 -0.042 0.000 0.936 475 E HN 0.629 nan 8.360 nan 0.000 0.466 476 W N 3.789 125.102 121.300 0.022 0.000 2.993 476 W HA 0.341 5.000 4.660 -0.000 0.000 0.290 476 W C 0.912 177.404 176.519 -0.044 0.000 1.203 476 W CA 0.344 57.689 57.345 0.000 0.000 1.582 476 W CB -0.573 28.891 29.460 0.007 0.000 1.033 476 W HN 0.586 nan 8.180 nan 0.000 0.594 477 A N 2.850 125.097 122.820 -0.955 0.000 2.067 477 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 477 A C 1.488 178.722 177.584 -0.583 0.000 1.158 477 A CA 1.806 53.245 52.037 -0.996 0.000 0.661 477 A CB -0.993 17.119 19.000 -1.480 0.000 0.801 477 A HN 0.415 nan 8.150 nan 0.000 0.452 478 N N -1.539 116.943 118.700 -0.363 0.000 2.282 478 N HA 0.164 4.904 4.740 -0.000 0.000 0.240 478 N C -0.798 174.692 175.510 -0.033 0.000 1.182 478 N CA 0.184 53.143 53.050 -0.152 0.000 0.874 478 N CB 0.429 38.892 38.487 -0.040 0.000 1.126 478 N HN 0.117 nan 8.380 nan 0.000 0.516 479 D N 0.121 120.526 120.400 0.008 0.000 3.285 479 D HA 0.090 4.730 4.640 -0.000 0.000 0.273 479 D C 0.323 176.694 176.300 0.119 0.000 1.295 479 D CA -0.374 53.660 54.000 0.057 0.000 0.762 479 D CB 0.028 40.861 40.800 0.055 0.000 1.379 479 D HN -0.008 nan 8.370 nan 0.000 0.612 480 L N 0.756 122.054 121.223 0.124 0.000 2.191 480 L HA -0.016 4.323 4.340 -0.000 0.000 0.212 480 L C 1.400 178.337 176.870 0.111 0.000 1.103 480 L CA 1.570 56.511 54.840 0.170 0.000 0.769 480 L CB -0.041 42.111 42.059 0.155 0.000 0.908 480 L HN 0.154 nan 8.230 nan 0.000 0.438 481 D N -0.712 119.727 120.400 0.066 0.000 2.311 481 D HA -0.189 4.451 4.640 -0.000 0.000 0.212 481 D C 1.940 178.271 176.300 0.051 0.000 0.972 481 D CA 0.604 54.626 54.000 0.036 0.000 0.887 481 D CB 0.019 40.827 40.800 0.014 0.000 0.915 481 D HN 0.455 nan 8.370 nan 0.000 0.497 482 Q N -0.144 119.710 119.800 0.090 0.000 2.368 482 Q HA -0.107 4.233 4.340 -0.000 0.000 0.210 482 Q C 1.998 178.042 176.000 0.073 0.000 0.982 482 Q CA 0.337 56.200 55.803 0.100 0.000 0.884 482 Q CB -0.143 28.692 28.738 0.162 0.000 0.933 482 Q HN 0.314 nan 8.270 nan 0.000 0.460 483 L N 0.107 121.362 121.223 0.054 0.000 2.353 483 L HA -0.121 4.219 4.340 -0.000 0.000 0.220 483 L C 2.050 178.922 176.870 0.004 0.000 1.133 483 L CA 0.765 55.607 54.840 0.002 0.000 0.798 483 L CB -0.628 41.425 42.059 -0.010 0.000 0.922 483 L HN 0.157 nan 8.230 nan 0.000 0.445 484 I N -0.224 120.354 120.570 0.012 0.000 2.567 484 I HA -0.241 3.929 4.170 -0.000 0.000 0.257 484 I C 1.901 178.022 176.117 0.007 0.000 1.184 484 I CA 1.099 62.400 61.300 0.002 0.000 1.451 484 I CB -0.364 37.633 38.000 -0.004 0.000 1.089 484 I HN 0.333 nan 8.210 nan 0.000 0.441 485 N N 0.145 118.862 118.700 0.029 0.000 2.571 485 N HA -0.042 4.698 4.740 -0.000 0.000 0.189 485 N C 1.589 177.163 175.510 0.107 0.000 1.154 485 N CA 0.585 53.666 53.050 0.053 0.000 0.907 485 N CB 0.061 38.596 38.487 0.081 0.000 0.977 485 N HN 0.431 nan 8.380 nan 0.000 0.449 486 L N 0.529 121.794 121.223 0.070 0.000 2.477 486 L HA 0.047 4.387 4.340 -0.000 0.000 0.220 486 L C 1.852 178.731 176.870 0.014 0.000 1.106 486 L CA 0.409 55.301 54.840 0.087 0.000 0.851 486 L CB -0.026 42.016 42.059 -0.029 0.000 0.994 486 L HN 0.114 nan 8.230 nan 0.000 0.462 487 E N 0.981 121.162 120.200 -0.032 0.000 2.065 487 E HA -0.308 4.042 4.350 -0.000 0.000 0.201 487 E C 2.021 178.543 176.600 -0.131 0.000 1.016 487 E CA 2.000 58.352 56.400 -0.079 0.000 0.818 487 E CB -0.070 29.588 29.700 -0.070 0.000 0.749 487 E HN 0.501 nan 8.360 nan 0.000 0.453 488 K N 0.410 120.701 120.400 -0.182 0.000 2.152 488 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 488 K C 1.784 178.144 176.600 -0.402 0.000 1.048 488 K CA 1.625 57.730 56.287 -0.302 0.000 0.933 488 K CB -0.414 31.852 32.500 -0.389 0.000 0.721 488 K HN 0.065 nan 8.250 nan 0.000 0.447 489 F N 1.818 121.531 119.950 -0.395 0.000 2.365 489 F HA 0.047 4.574 4.527 -0.000 0.000 0.300 489 F C 2.626 178.136 175.800 -0.483 0.000 1.090 489 F CA 0.800 58.415 58.000 -0.640 0.000 1.408 489 F CB -0.307 37.829 39.000 -1.441 0.000 1.060 489 F HN 0.141 nan 8.300 nan 0.000 0.534 490 A N -0.407 122.302 122.820 -0.185 0.000 2.076 490 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 490 A C 1.804 179.361 177.584 -0.044 0.000 1.160 490 A CA 1.915 53.901 52.037 -0.085 0.000 0.653 490 A CB -0.547 18.391 19.000 -0.102 0.000 0.801 490 A HN 0.233 nan 8.150 nan 0.000 0.455 491 D N -0.260 120.093 120.400 -0.077 0.000 2.333 491 D HA -0.001 4.639 4.640 -0.000 0.000 0.208 491 D C 0.054 176.341 176.300 -0.021 0.000 0.984 491 D CA 0.322 54.288 54.000 -0.057 0.000 0.873 491 D CB -0.048 40.697 40.800 -0.092 0.000 0.935 491 D HN 0.394 nan 8.370 nan 0.000 0.521 492 D N 0.194 120.596 120.400 0.004 0.000 2.317 492 D HA 0.217 4.857 4.640 -0.000 0.000 0.252 492 D C 1.047 177.429 176.300 0.136 0.000 1.174 492 D CA -0.236 53.806 54.000 0.070 0.000 0.866 492 D CB 1.518 42.386 40.800 0.112 0.000 1.127 492 D HN -0.066 nan 8.370 nan 0.000 0.467 493 A N 5.544 128.420 122.820 0.093 0.000 1.877 493 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 493 A C 2.054 179.702 177.584 0.106 0.000 1.186 493 A CA 1.261 53.350 52.037 0.086 0.000 0.620 493 A CB -0.375 18.657 19.000 0.052 0.000 0.822 493 A HN 0.684 nan 8.150 nan 0.000 0.443 494 K N -1.589 118.880 120.400 0.114 0.000 2.032 494 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 494 K C 1.839 178.524 176.600 0.141 0.000 1.048 494 K CA 1.857 58.210 56.287 0.110 0.000 0.927 494 K CB -0.369 32.194 32.500 0.105 0.000 0.712 494 K HN 0.477 nan 8.250 nan 0.000 0.441 495 F N 1.835 121.835 119.950 0.083 0.000 2.095 495 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 495 F C 2.272 178.121 175.800 0.081 0.000 1.104 495 F CA 1.514 59.568 58.000 0.090 0.000 1.232 495 F CB -0.056 39.043 39.000 0.164 0.000 0.987 495 F HN -0.041 nan 8.300 nan 0.000 0.475 496 R N -0.101 120.575 120.500 0.293 0.000 2.091 496 R HA -0.240 4.100 4.340 -0.000 0.000 0.238 496 R C 2.387 178.734 176.300 0.079 0.000 1.136 496 R CA 1.804 58.008 56.100 0.172 0.000 0.959 496 R CB -0.784 29.598 30.300 0.137 0.000 0.856 496 R HN 0.493 nan 8.270 nan 0.000 0.437 497 Q N 0.996 120.826 119.800 0.050 0.000 2.084 497 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 497 Q C 1.953 177.935 176.000 -0.029 0.000 0.978 497 Q CA 1.536 57.347 55.803 0.014 0.000 0.844 497 Q CB 0.090 28.836 28.738 0.013 0.000 0.898 497 Q HN 0.454 nan 8.270 nan 0.000 0.426 498 Q N -0.781 118.970 119.800 -0.081 0.000 2.050 498 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 498 Q C 1.884 177.781 176.000 -0.172 0.000 0.980 498 Q CA 1.773 57.486 55.803 -0.150 0.000 0.840 498 Q CB -0.232 28.369 28.738 -0.227 0.000 0.898 498 Q HN 0.465 nan 8.270 nan 0.000 0.424 499 Y N 1.090 121.174 120.300 -0.360 0.000 2.181 499 Y HA -0.222 4.328 4.550 -0.000 0.000 0.288 499 Y C 2.443 178.264 175.900 -0.132 0.000 1.146 499 Y CA 1.703 59.625 58.100 -0.295 0.000 1.164 499 Y CB -0.005 38.267 38.460 -0.314 0.000 0.982 499 Y HN -0.071 nan 8.280 nan 0.000 0.515 500 R N 0.439 121.005 120.500 0.111 0.000 2.075 500 R HA -0.170 4.170 4.340 -0.000 0.000 0.232 500 R C 1.999 178.273 176.300 -0.044 0.000 1.126 500 R CA 1.972 58.108 56.100 0.060 0.000 0.963 500 R CB -0.247 30.091 30.300 0.063 0.000 0.858 500 R HN 0.465 nan 8.270 nan 0.000 0.435 501 E N 0.242 120.403 120.200 -0.064 0.000 2.106 501 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 501 E C 2.027 178.563 176.600 -0.107 0.000 0.984 501 E CA 1.348 57.701 56.400 -0.079 0.000 0.806 501 E CB -0.081 29.578 29.700 -0.068 0.000 0.750 501 E HN 0.398 nan 8.360 nan 0.000 0.458 502 I N 1.157 121.635 120.570 -0.153 0.000 2.127 502 I HA -0.302 3.868 4.170 -0.000 0.000 0.241 502 I C 2.459 178.470 176.117 -0.176 0.000 1.075 502 I CA 1.066 62.255 61.300 -0.185 0.000 1.334 502 I CB -0.190 37.648 38.000 -0.270 0.000 1.040 502 I HN -0.016 nan 8.210 nan 0.000 0.405 503 K N 0.753 121.030 120.400 -0.205 0.000 2.044 503 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 503 K C 2.150 178.678 176.600 -0.121 0.000 1.049 503 K CA 1.710 57.912 56.287 -0.141 0.000 0.927 503 K CB -0.319 32.131 32.500 -0.082 0.000 0.713 503 K HN 0.201 nan 8.250 nan 0.000 0.443 504 Q N -0.348 119.383 119.800 -0.115 0.000 2.124 504 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 504 Q C 2.108 178.046 176.000 -0.103 0.000 0.977 504 Q CA 1.650 57.377 55.803 -0.127 0.000 0.850 504 Q CB -0.421 28.255 28.738 -0.103 0.000 0.901 504 Q HN 0.448 nan 8.270 nan 0.000 0.429 505 A N 1.528 124.299 122.820 -0.081 0.000 1.898 505 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 505 A C 1.832 179.393 177.584 -0.038 0.000 1.181 505 A CA 1.322 53.327 52.037 -0.055 0.000 0.620 505 A CB -0.445 18.523 19.000 -0.054 0.000 0.819 505 A HN 0.312 nan 8.150 nan 0.000 0.442 506 N N 0.376 119.046 118.700 -0.050 0.000 2.137 506 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 506 N C 1.531 177.052 175.510 0.017 0.000 1.017 506 N CA 1.655 54.692 53.050 -0.021 0.000 0.859 506 N CB -0.344 38.121 38.487 -0.036 0.000 1.002 506 N HN 0.590 nan 8.380 nan 0.000 0.428 507 K N 0.247 120.621 120.400 -0.043 0.000 2.097 507 K HA 0.018 4.338 4.320 -0.000 0.000 0.205 507 K C 1.975 178.633 176.600 0.096 0.000 1.050 507 K CA 0.546 56.805 56.287 -0.047 0.000 0.938 507 K CB 0.018 32.225 32.500 -0.489 0.000 0.718 507 K HN -0.038 nan 8.250 nan 0.000 0.442 508 V N 1.431 121.365 119.914 0.033 0.000 2.307 508 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 508 V C 2.183 178.335 176.094 0.097 0.000 1.045 508 V CA 1.582 63.922 62.300 0.066 0.000 1.024 508 V CB -0.425 31.413 31.823 0.024 0.000 0.651 508 V HN 0.272 nan 8.190 nan 0.000 0.449 509 R N -0.497 120.050 120.500 0.078 0.000 2.096 509 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 509 R C 2.239 178.625 176.300 0.143 0.000 1.127 509 R CA 1.590 57.743 56.100 0.090 0.000 0.968 509 R CB -0.572 29.758 30.300 0.050 0.000 0.861 509 R HN 0.394 nan 8.270 nan 0.000 0.440 510 L N 0.859 122.187 121.223 0.176 0.000 2.027 510 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 510 L C 2.312 179.336 176.870 0.257 0.000 1.074 510 L CA 1.900 56.882 54.840 0.236 0.000 0.745 510 L CB -0.770 41.450 42.059 0.268 0.000 0.898 510 L HN 0.113 nan 8.230 nan 0.000 0.433 511 A N -0.366 122.607 122.820 0.255 0.000 1.940 511 A HA -0.329 3.990 4.320 -0.000 0.000 0.221 511 A C 2.130 179.802 177.584 0.147 0.000 1.190 511 A CA 2.388 54.535 52.037 0.184 0.000 0.647 511 A CB -0.818 18.300 19.000 0.198 0.000 0.821 511 A HN 0.686 nan 8.150 nan 0.000 0.457 512 E N -1.764 118.530 120.200 0.157 0.000 2.072 512 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 512 E C 1.776 178.476 176.600 0.167 0.000 0.985 512 E CA 1.147 57.628 56.400 0.135 0.000 0.801 512 E CB -0.292 29.483 29.700 0.124 0.000 0.750 512 E HN 0.691 nan 8.360 nan 0.000 0.452 513 F N 1.246 121.230 119.950 0.055 0.000 2.161 513 F HA -0.199 4.328 4.527 -0.000 0.000 0.300 513 F C 1.997 177.828 175.800 0.051 0.000 1.089 513 F CA 0.973 59.005 58.000 0.054 0.000 1.282 513 F CB -0.040 38.997 39.000 0.062 0.000 1.010 513 F HN -0.192 nan 8.300 nan 0.000 0.485 514 V N 0.312 120.282 119.914 0.094 0.000 2.548 514 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 514 V C 2.385 178.443 176.094 -0.060 0.000 1.055 514 V CA 2.089 64.374 62.300 -0.024 0.000 1.065 514 V CB -0.565 31.273 31.823 0.025 0.000 0.681 514 V HN 0.303 nan 8.190 nan 0.000 0.462 515 K N 0.686 121.078 120.400 -0.013 0.000 2.025 515 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 515 K C 2.107 178.683 176.600 -0.040 0.000 1.049 515 K CA 1.849 58.129 56.287 -0.011 0.000 0.933 515 K CB -0.317 32.195 32.500 0.020 0.000 0.714 515 K HN 0.379 nan 8.250 nan 0.000 0.438 516 V N -0.023 119.857 119.914 -0.058 0.000 2.515 516 V HA -0.109 4.011 4.120 -0.000 0.000 0.250 516 V C 1.756 177.768 176.094 -0.138 0.000 1.058 516 V CA 1.379 63.633 62.300 -0.076 0.000 1.064 516 V CB -0.486 31.314 31.823 -0.040 0.000 0.675 516 V HN 0.269 nan 8.190 nan 0.000 0.461 517 R N 0.967 121.316 120.500 -0.252 0.000 2.276 517 R HA 0.114 4.453 4.340 -0.000 0.000 0.196 517 R C 1.994 178.227 176.300 -0.113 0.000 0.961 517 R CA 1.329 57.283 56.100 -0.243 0.000 1.024 517 R CB -0.197 29.838 30.300 -0.443 0.000 0.940 517 R HN 0.816 nan 8.270 nan 0.000 0.480 518 T N -5.604 108.907 114.554 -0.072 0.000 3.028 518 T HA 0.213 4.563 4.350 -0.000 0.000 0.262 518 T C 1.330 176.030 174.700 0.000 0.000 0.916 518 T CA 0.666 62.760 62.100 -0.010 0.000 0.873 518 T CB 0.924 69.805 68.868 0.020 0.000 1.232 518 T HN 0.250 nan 8.240 nan 0.000 0.529 519 G N 1.873 110.666 108.800 -0.011 0.000 2.234 519 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.260 519 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.260 519 G C 0.041 174.944 174.900 0.004 0.000 0.987 519 G CA 0.182 45.282 45.100 -0.000 0.000 0.625 519 G HN 0.708 nan 8.290 nan 0.000 0.532 520 I N 1.271 121.843 120.570 0.003 0.000 2.474 520 I HA 0.345 4.515 4.170 -0.000 0.000 0.287 520 I C 0.623 176.742 176.117 0.004 0.000 1.048 520 I CA -0.206 61.096 61.300 0.004 0.000 1.383 520 I CB 1.353 39.355 38.000 0.003 0.000 1.412 520 I HN 0.231 nan 8.210 nan 0.000 0.531 521 E N 7.621 127.826 120.200 0.008 0.000 2.055 521 E HA 0.396 4.746 4.350 -0.000 0.000 0.274 521 E C -0.880 175.730 176.600 0.016 0.000 0.949 521 E CA -0.617 55.794 56.400 0.018 0.000 0.775 521 E CB 0.696 30.409 29.700 0.021 0.000 1.097 521 E HN 0.509 nan 8.360 nan 0.000 0.404 522 I N 1.620 122.202 120.570 0.021 0.000 2.412 522 I HA 0.484 4.654 4.170 -0.000 0.000 0.296 522 I C -0.330 175.851 176.117 0.107 0.000 0.987 522 I CA -1.181 60.127 61.300 0.013 0.000 1.180 522 I CB 1.537 39.470 38.000 -0.111 0.000 1.340 522 I HN 0.281 nan 8.210 nan 0.000 0.455 523 N N 7.856 126.627 118.700 0.119 0.000 2.411 523 N HA 0.307 5.047 4.740 -0.000 0.000 0.259 523 N C -1.745 173.910 175.510 0.242 0.000 1.103 523 N CA -2.250 50.882 53.050 0.137 0.000 0.954 523 N CB 0.839 39.372 38.487 0.076 0.000 1.085 523 N HN 0.454 nan 8.380 nan 0.000 0.485 524 P HA -0.055 nan 4.420 nan 0.000 0.247 524 P C 0.038 177.257 177.300 -0.136 0.000 1.225 524 P CA 0.810 63.905 63.100 -0.008 0.000 0.768 524 P CB 0.339 32.028 31.700 -0.018 0.000 1.020 525 Q N -0.868 118.911 119.800 -0.035 0.000 2.402 525 Q HA 0.191 4.531 4.340 -0.000 0.000 0.206 525 Q C 1.079 177.051 176.000 -0.047 0.000 0.919 525 Q CA 0.060 55.836 55.803 -0.044 0.000 0.923 525 Q CB 0.192 28.923 28.738 -0.012 0.000 1.048 525 Q HN 0.195 nan 8.270 nan 0.000 0.515 526 A N 1.409 124.216 122.820 -0.021 0.000 2.366 526 A HA 0.295 4.615 4.320 -0.000 0.000 0.249 526 A C 0.207 177.679 177.584 -0.186 0.000 1.084 526 A CA -0.432 51.566 52.037 -0.065 0.000 0.794 526 A CB 0.117 19.147 19.000 0.050 0.000 1.034 526 A HN 0.242 nan 8.150 nan 0.000 0.491 527 I N 1.402 121.716 120.570 -0.427 0.000 2.598 527 I HA -0.007 4.163 4.170 -0.000 0.000 0.284 527 I C -0.698 175.351 176.117 -0.114 0.000 1.140 527 I CA 0.376 61.347 61.300 -0.548 0.000 1.420 527 I CB 0.000 37.539 38.000 -0.769 0.000 1.387 527 I HN 0.353 nan 8.210 nan 0.000 0.553 528 F N 5.199 124.961 119.950 -0.313 0.000 2.350 528 F HA 0.234 4.760 4.527 -0.000 0.000 0.365 528 F C 0.524 176.167 175.800 -0.262 0.000 1.122 528 F CA -0.996 56.858 58.000 -0.243 0.000 1.139 528 F CB 0.250 39.174 39.000 -0.126 0.000 1.220 528 F HN 0.378 nan 8.300 nan 0.000 0.499 529 D N 5.565 125.806 120.400 -0.264 0.000 2.392 529 D HA 0.354 4.993 4.640 -0.000 0.000 0.228 529 D C -0.615 175.518 176.300 -0.278 0.000 1.074 529 D CA -0.057 53.735 54.000 -0.347 0.000 0.838 529 D CB 0.873 41.193 40.800 -0.801 0.000 1.067 529 D HN 0.326 nan 8.370 nan 0.000 0.511 530 I N 3.191 123.656 120.570 -0.176 0.000 2.418 530 I HA 0.205 4.375 4.170 -0.000 0.000 0.287 530 I C -0.191 175.796 176.117 -0.215 0.000 1.008 530 I CA -0.663 60.517 61.300 -0.199 0.000 1.104 530 I CB 2.226 40.168 38.000 -0.098 0.000 1.264 530 I HN 0.205 nan 8.210 nan 0.000 0.438 531 Q N 8.100 127.691 119.800 -0.348 0.000 2.357 531 Q HA 0.619 4.959 4.340 -0.000 0.000 0.266 531 Q C -1.335 174.490 176.000 -0.292 0.000 1.021 531 Q CA -0.581 55.053 55.803 -0.282 0.000 0.784 531 Q CB 1.593 30.154 28.738 -0.296 0.000 1.243 531 Q HN 0.719 nan 8.270 nan 0.000 0.465 532 I N 2.041 122.445 120.570 -0.276 0.000 2.468 532 I HA 0.691 4.861 4.170 -0.000 0.000 0.285 532 I C -1.197 174.720 176.117 -0.334 0.000 1.039 532 I CA -0.706 60.306 61.300 -0.480 0.000 1.074 532 I CB 1.402 39.070 38.000 -0.553 0.000 1.228 532 I HN 0.602 nan 8.210 nan 0.000 0.436 533 K N 3.528 123.744 120.400 -0.306 0.000 3.342 533 K HA 0.344 4.664 4.320 -0.000 0.000 0.345 533 K C -1.437 175.148 176.600 -0.026 0.000 1.095 533 K CA -1.224 55.022 56.287 -0.069 0.000 0.829 533 K CB 0.637 33.093 32.500 -0.074 0.000 1.471 533 K HN 0.589 nan 8.250 nan 0.000 0.428 534 R N 0.418 120.932 120.500 0.023 0.000 2.679 534 R HA 0.144 4.484 4.340 -0.000 0.000 0.268 534 R C -0.027 176.268 176.300 -0.008 0.000 1.044 534 R CA -0.801 55.325 56.100 0.045 0.000 1.105 534 R CB 0.166 30.500 30.300 0.055 0.000 0.989 534 R HN 0.337 nan 8.270 nan 0.000 0.447 535 L N 4.524 125.755 121.223 0.013 0.000 2.456 535 L HA 0.083 4.422 4.340 -0.000 0.000 0.277 535 L C -0.420 176.370 176.870 -0.133 0.000 1.124 535 L CA 0.889 55.686 54.840 -0.071 0.000 0.880 535 L CB -0.442 41.575 42.059 -0.070 0.000 1.192 535 L HN 0.582 nan 8.230 nan 0.000 0.463 536 H N 3.465 122.366 119.070 -0.282 0.000 2.894 536 H HA 0.163 4.719 4.556 0.000 0.000 0.367 536 H C 0.535 175.655 175.328 -0.346 0.000 1.144 536 H CA -0.408 55.474 56.048 -0.277 0.000 1.180 536 H CB 1.577 31.128 29.762 -0.351 0.000 1.758 536 H HN 0.683 nan 8.280 nan 0.000 0.541 537 E N 2.326 122.562 120.200 0.060 0.000 2.108 537 E HA -0.295 4.055 4.350 -0.000 0.000 0.203 537 E C 1.321 177.770 176.600 -0.252 0.000 1.022 537 E CA 2.256 58.613 56.400 -0.071 0.000 0.823 537 E CB -0.104 29.611 29.700 0.025 0.000 0.744 537 E HN 0.630 nan 8.360 nan 0.000 0.456 538 Y N 0.366 120.305 120.300 -0.601 0.000 2.384 538 Y HA -0.116 4.435 4.550 0.002 0.000 0.289 538 Y C 1.527 177.293 175.900 -0.224 0.000 1.152 538 Y CA 1.087 58.763 58.100 -0.705 0.000 1.258 538 Y CB -0.242 37.836 38.460 -0.637 0.000 0.979 538 Y HN -0.140 nan 8.280 nan 0.000 0.549 539 K N 0.392 120.591 120.400 -0.335 0.000 2.356 539 K HA 0.157 4.477 4.320 -0.000 0.000 0.195 539 K C 0.136 176.707 176.600 -0.049 0.000 1.037 539 K CA 0.300 56.451 56.287 -0.226 0.000 1.014 539 K CB 0.152 32.434 32.500 -0.362 0.000 0.815 539 K HN 0.182 nan 8.250 nan 0.000 0.507 540 R N 0.498 121.023 120.500 0.041 0.000 3.332 540 R HA -0.212 4.128 4.340 -0.000 0.000 0.263 540 R C 0.232 176.637 176.300 0.175 0.000 1.053 540 R CA 0.166 56.374 56.100 0.181 0.000 0.705 540 R CB -2.013 28.300 30.300 0.021 0.000 1.166 540 R HN 0.269 nan 8.270 nan 0.000 0.427 541 Q N 0.040 119.941 119.800 0.168 0.000 2.234 541 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 541 Q C 2.048 178.167 176.000 0.198 0.000 0.980 541 Q CA 1.988 57.892 55.803 0.169 0.000 0.869 541 Q CB -0.170 28.609 28.738 0.069 0.000 0.912 541 Q HN 0.697 nan 8.270 nan 0.000 0.436 542 H N -0.975 118.080 119.070 -0.025 0.000 2.462 542 H HA -0.054 4.502 4.556 -0.000 0.000 0.292 542 H C 1.854 177.195 175.328 0.022 0.000 1.049 542 H CA 0.879 56.908 56.048 -0.032 0.000 1.334 542 H CB -0.776 28.963 29.762 -0.038 0.000 1.404 542 H HN 0.237 nan 8.280 nan 0.000 0.544 543 L N 1.541 122.735 121.223 -0.049 0.000 2.017 543 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 543 L C 2.237 179.198 176.870 0.151 0.000 1.073 543 L CA 2.136 56.971 54.840 -0.009 0.000 0.745 543 L CB -1.176 40.791 42.059 -0.152 0.000 0.894 543 L HN 0.415 nan 8.230 nan 0.000 0.432 544 N N -1.088 117.692 118.700 0.134 0.000 2.036 544 N HA -0.275 4.465 4.740 -0.000 0.000 0.195 544 N C 1.994 177.618 175.510 0.190 0.000 1.037 544 N CA 1.538 54.749 53.050 0.268 0.000 0.855 544 N CB -0.232 38.407 38.487 0.254 0.000 1.033 544 N HN 0.341 nan 8.380 nan 0.000 0.423 545 L N 1.308 122.605 121.223 0.123 0.000 2.013 545 L HA -0.142 4.197 4.340 -0.000 0.000 0.212 545 L C 1.997 178.851 176.870 -0.025 0.000 1.073 545 L CA 1.482 56.306 54.840 -0.028 0.000 0.753 545 L CB -0.651 41.333 42.059 -0.125 0.000 0.890 545 L HN 0.325 nan 8.230 nan 0.000 0.432 546 L N -1.266 120.009 121.223 0.086 0.000 2.046 546 L HA -0.277 4.063 4.340 -0.000 0.000 0.208 546 L C 2.692 179.736 176.870 0.289 0.000 1.077 546 L CA 1.780 56.708 54.840 0.146 0.000 0.747 546 L CB -0.941 41.224 42.059 0.177 0.000 0.896 546 L HN 0.535 nan 8.230 nan 0.000 0.432 547 H N 0.540 119.756 119.070 0.243 0.000 2.353 547 H HA -0.163 4.393 4.556 0.000 0.000 0.300 547 H C 2.340 177.616 175.328 -0.087 0.000 1.090 547 H CA 1.731 57.831 56.048 0.088 0.000 1.327 547 H CB 0.178 29.925 29.762 -0.024 0.000 1.383 547 H HN 0.297 nan 8.280 nan 0.000 0.508 548 I N 0.743 121.091 120.570 -0.370 0.000 2.286 548 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 548 I C 2.532 178.483 176.117 -0.277 0.000 1.115 548 I CA 0.705 61.647 61.300 -0.597 0.000 1.392 548 I CB -0.173 37.428 38.000 -0.665 0.000 1.065 548 I HN 0.255 nan 8.210 nan 0.000 0.418 549 L N 0.439 121.581 121.223 -0.134 0.000 2.056 549 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 549 L C 2.903 179.800 176.870 0.044 0.000 1.078 549 L CA 1.266 56.111 54.840 0.008 0.000 0.749 549 L CB -0.717 41.340 42.059 -0.003 0.000 0.901 549 L HN 0.231 nan 8.230 nan 0.000 0.433 550 A N 0.439 123.280 122.820 0.034 0.000 1.873 550 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 550 A C 2.238 179.808 177.584 -0.023 0.000 1.193 550 A CA 1.811 53.882 52.037 0.057 0.000 0.629 550 A CB -0.910 18.196 19.000 0.176 0.000 0.826 550 A HN 0.368 nan 8.150 nan 0.000 0.447 551 L N -2.111 119.023 121.223 -0.149 0.000 2.046 551 L HA -0.206 4.133 4.340 -0.000 0.000 0.208 551 L C 2.651 179.542 176.870 0.035 0.000 1.077 551 L CA 1.792 56.573 54.840 -0.099 0.000 0.747 551 L CB -0.810 41.145 42.059 -0.174 0.000 0.896 551 L HN 0.575 nan 8.230 nan 0.000 0.432 552 Y N 1.507 121.743 120.300 -0.107 0.000 2.081 552 Y HA -0.339 4.211 4.550 -0.000 0.000 0.280 552 Y C 2.727 178.616 175.900 -0.018 0.000 1.163 552 Y CA 1.858 59.926 58.100 -0.052 0.000 1.135 552 Y CB -0.520 37.908 38.460 -0.052 0.000 0.970 552 Y HN 0.066 nan 8.280 nan 0.000 0.498 553 K N 0.295 120.637 120.400 -0.097 0.000 2.032 553 K HA -0.283 4.037 4.320 -0.000 0.000 0.209 553 K C 2.248 178.794 176.600 -0.090 0.000 1.048 553 K CA 1.966 58.156 56.287 -0.162 0.000 0.927 553 K CB -0.397 32.060 32.500 -0.071 0.000 0.712 553 K HN 0.521 nan 8.250 nan 0.000 0.441 554 E N 0.823 121.004 120.200 -0.032 0.000 2.049 554 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 554 E C 2.006 178.596 176.600 -0.016 0.000 1.007 554 E CA 1.958 58.349 56.400 -0.015 0.000 0.809 554 E CB -0.241 29.459 29.700 -0.001 0.000 0.749 554 E HN 0.604 nan 8.360 nan 0.000 0.450 555 I N -2.234 118.338 120.570 0.003 0.000 2.928 555 I HA -0.028 4.142 4.170 -0.000 0.000 0.266 555 I C 2.351 178.467 176.117 -0.002 0.000 1.234 555 I CA 0.616 61.927 61.300 0.019 0.000 1.483 555 I CB -0.229 37.805 38.000 0.056 0.000 1.097 555 I HN -0.029 nan 8.210 nan 0.000 0.455 556 R N 1.385 121.850 120.500 -0.059 0.000 2.093 556 R HA -0.004 4.336 4.340 -0.000 0.000 0.224 556 R C 1.582 177.841 176.300 -0.069 0.000 1.101 556 R CA 1.380 57.421 56.100 -0.099 0.000 0.979 556 R CB 0.122 30.275 30.300 -0.246 0.000 0.877 556 R HN 0.487 nan 8.270 nan 0.000 0.441 557 E N -0.801 119.362 120.200 -0.061 0.000 2.498 557 E HA 0.036 4.386 4.350 -0.000 0.000 0.203 557 E C -0.571 176.014 176.600 -0.025 0.000 1.013 557 E CA -0.124 56.248 56.400 -0.046 0.000 0.927 557 E CB 0.588 30.259 29.700 -0.050 0.000 1.012 557 E HN 0.027 nan 8.360 nan 0.000 0.482 558 N N 0.671 119.360 118.700 -0.018 0.000 2.621 558 N HA 0.094 4.833 4.740 -0.000 0.000 0.271 558 N C -2.385 173.123 175.510 -0.004 0.000 1.181 558 N CA -1.779 51.266 53.050 -0.009 0.000 0.805 558 N CB 1.313 39.797 38.487 -0.005 0.000 1.351 558 N HN -0.238 nan 8.380 nan 0.000 0.539 559 P HA 0.011 nan 4.420 nan 0.000 0.229 559 P C 0.520 177.822 177.300 0.004 0.000 1.160 559 P CA 0.762 63.863 63.100 0.002 0.000 0.777 559 P CB 0.623 32.324 31.700 0.001 0.000 0.814 560 Q N -0.021 119.781 119.800 0.003 0.000 2.444 560 Q HA 0.264 4.603 4.340 -0.000 0.000 0.206 560 Q C 0.667 176.670 176.000 0.005 0.000 0.948 560 Q CA -0.266 55.540 55.803 0.004 0.000 0.946 560 Q CB -1.077 27.663 28.738 0.004 0.000 1.027 560 Q HN 0.169 nan 8.270 nan 0.000 0.513 561 A N 1.138 123.961 122.820 0.005 0.000 2.591 561 A HA -0.057 4.263 4.320 -0.000 0.000 0.244 561 A C -0.099 177.488 177.584 0.006 0.000 1.031 561 A CA 0.400 52.440 52.037 0.006 0.000 0.767 561 A CB -0.094 18.910 19.000 0.007 0.000 0.942 561 A HN 0.149 nan 8.150 nan 0.000 0.514 562 D N 1.789 122.193 120.400 0.006 0.000 2.551 562 D HA 0.289 4.929 4.640 -0.000 0.000 0.294 562 D C -0.174 176.128 176.300 0.004 0.000 1.201 562 D CA -0.252 53.752 54.000 0.006 0.000 0.941 562 D CB 0.040 40.845 40.800 0.008 0.000 0.995 562 D HN 0.390 nan 8.370 nan 0.000 0.502 563 R N 0.577 121.077 120.500 0.000 0.000 2.664 563 R HA 0.447 4.787 4.340 -0.000 0.000 0.286 563 R C -0.389 175.899 176.300 -0.020 0.000 0.967 563 R CA -1.015 55.080 56.100 -0.008 0.000 0.933 563 R CB 1.624 31.921 30.300 -0.006 0.000 1.146 563 R HN 0.201 nan 8.270 nan 0.000 0.468 564 V N 2.038 121.927 119.914 -0.042 0.000 2.686 564 V HA 0.340 4.460 4.120 -0.000 0.000 0.295 564 V C -2.110 173.925 176.094 -0.099 0.000 1.055 564 V CA -1.672 60.587 62.300 -0.068 0.000 1.050 564 V CB 0.816 32.590 31.823 -0.081 0.000 0.984 564 V HN 0.551 nan 8.190 nan 0.000 0.482 565 P HA 0.317 nan 4.420 nan 0.000 0.267 565 P C -0.880 176.334 177.300 -0.144 0.000 1.200 565 P CA 0.139 63.193 63.100 -0.077 0.000 0.772 565 P CB 0.291 31.965 31.700 -0.044 0.000 0.855 566 R N 1.230 121.656 120.500 -0.124 0.000 2.651 566 R HA 0.537 4.877 4.340 -0.000 0.000 0.278 566 R C -1.565 174.623 176.300 -0.188 0.000 1.010 566 R CA -0.962 54.994 56.100 -0.240 0.000 0.896 566 R CB 2.200 32.301 30.300 -0.332 0.000 1.211 566 R HN 0.182 nan 8.270 nan 0.000 0.456 567 V N 3.971 123.726 119.914 -0.264 0.000 2.378 567 V HA 0.418 4.538 4.120 -0.000 0.000 0.288 567 V C -0.706 175.137 176.094 -0.418 0.000 1.016 567 V CA -0.591 61.543 62.300 -0.276 0.000 0.840 567 V CB 1.160 32.729 31.823 -0.423 0.000 0.994 567 V HN 0.520 nan 8.190 nan 0.000 0.431 568 F N 5.636 125.472 119.950 -0.190 0.000 2.405 568 F HA 0.606 5.133 4.527 -0.000 0.000 0.355 568 F C -0.004 175.631 175.800 -0.275 0.000 1.121 568 F CA -0.330 57.524 58.000 -0.244 0.000 1.112 568 F CB 1.255 40.149 39.000 -0.177 0.000 1.126 568 F HN 0.244 nan 8.300 nan 0.000 0.481 569 L N 4.720 125.788 121.223 -0.259 0.000 2.341 569 L HA 0.534 4.873 4.340 -0.000 0.000 0.278 569 L C -0.964 175.650 176.870 -0.426 0.000 1.005 569 L CA -0.428 54.279 54.840 -0.222 0.000 0.818 569 L CB 1.203 43.144 42.059 -0.197 0.000 1.259 569 L HN 0.379 nan 8.230 nan 0.000 0.418 570 F N 0.650 120.439 119.950 -0.267 0.000 2.508 570 F HA 0.800 5.327 4.527 -0.001 0.000 0.325 570 F C 0.696 176.252 175.800 -0.406 0.000 1.090 570 F CA -0.758 56.943 58.000 -0.498 0.000 0.945 570 F CB 2.249 40.617 39.000 -1.053 0.000 1.156 570 F HN 0.391 nan 8.300 nan 0.000 0.463 571 G N 0.907 109.569 108.800 -0.231 0.000 2.687 571 G HA2 0.779 4.739 3.960 -0.000 0.000 0.301 571 G HA3 0.779 4.739 3.960 -0.000 0.000 0.301 571 G C -1.880 172.912 174.900 -0.179 0.000 1.416 571 G CA -0.889 44.127 45.100 -0.139 0.000 1.005 571 G HN 0.996 nan 8.290 nan 0.000 0.509 572 A N 2.047 125.030 122.820 0.273 0.000 2.580 572 A HA 0.695 5.015 4.320 -0.000 0.000 0.301 572 A C -1.004 176.807 177.584 0.377 0.000 1.054 572 A CA -0.813 51.382 52.037 0.263 0.000 0.751 572 A CB 1.220 20.337 19.000 0.195 0.000 1.275 572 A HN 0.604 nan 8.150 nan 0.000 0.403 573 K N 0.709 121.257 120.400 0.247 0.000 2.207 573 K HA 0.769 5.089 4.320 -0.000 0.000 0.255 573 K C -0.312 176.419 176.600 0.217 0.000 0.941 573 K CA -0.488 55.934 56.287 0.226 0.000 0.825 573 K CB 2.488 35.005 32.500 0.029 0.000 1.119 573 K HN 1.013 nan 8.250 nan 0.000 0.430 574 A N 1.662 124.650 122.820 0.280 0.000 2.288 574 A HA 0.629 4.949 4.320 -0.000 0.000 0.320 574 A C -0.244 177.494 177.584 0.256 0.000 1.217 574 A CA -0.668 51.459 52.037 0.150 0.000 0.840 574 A CB 0.925 19.930 19.000 0.010 0.000 1.179 574 A HN 0.806 nan 8.150 nan 0.000 0.504 575 A N 4.417 127.375 122.820 0.231 0.000 2.587 575 A HA 0.406 4.726 4.320 -0.000 0.000 0.233 575 A C -0.970 176.669 177.584 0.092 0.000 1.049 575 A CA -0.320 51.855 52.037 0.229 0.000 0.754 575 A CB -0.187 18.912 19.000 0.165 0.000 0.977 575 A HN 0.653 nan 8.150 nan 0.000 0.509 576 P HA -0.096 nan 4.420 nan 0.000 0.220 576 P C 1.265 178.456 177.300 -0.181 0.000 1.148 576 P CA 1.811 64.818 63.100 -0.154 0.000 0.803 576 P CB -0.027 31.567 31.700 -0.176 0.000 0.782 577 G N -2.268 106.427 108.800 -0.174 0.000 2.920 577 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.208 577 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.208 577 G C -0.016 174.569 174.900 -0.525 0.000 1.159 577 G CA 0.013 44.900 45.100 -0.356 0.000 0.784 577 G HN 0.184 nan 8.290 nan 0.000 0.535 578 Y N 1.928 121.958 120.300 -0.449 0.000 2.907 578 Y HA 0.429 4.979 4.550 -0.000 0.000 0.332 578 Y C 0.574 176.308 175.900 -0.276 0.000 1.211 578 Y CA -2.688 55.211 58.100 -0.335 0.000 1.387 578 Y CB -0.366 37.965 38.460 -0.216 0.000 1.396 578 Y HN 0.208 nan 8.280 nan 0.000 0.519 579 Y N 1.784 122.211 120.300 0.212 0.000 2.207 579 Y HA -0.269 4.281 4.550 -0.000 0.000 0.287 579 Y C 2.093 178.038 175.900 0.075 0.000 1.156 579 Y CA 1.343 59.503 58.100 0.100 0.000 1.182 579 Y CB -0.736 37.765 38.460 0.069 0.000 0.979 579 Y HN 0.502 nan 8.280 nan 0.000 0.521 580 L N 0.544 121.932 121.223 0.275 0.000 1.994 580 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 580 L C 2.373 179.166 176.870 -0.128 0.000 1.071 580 L CA 2.029 56.944 54.840 0.124 0.000 0.745 580 L CB -1.302 40.884 42.059 0.212 0.000 0.892 580 L HN 0.112 nan 8.230 nan 0.000 0.431 581 A N -0.479 122.034 122.820 -0.512 0.000 1.940 581 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 581 A C 2.320 179.735 177.584 -0.281 0.000 1.176 581 A CA 2.069 53.698 52.037 -0.681 0.000 0.631 581 A CB -0.597 17.622 19.000 -1.302 0.000 0.814 581 A HN 0.565 nan 8.150 nan 0.000 0.446 582 K N -0.492 119.820 120.400 -0.148 0.000 2.147 582 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 582 K C 1.977 178.601 176.600 0.039 0.000 1.049 582 K CA 1.262 57.536 56.287 -0.022 0.000 0.936 582 K CB -0.229 32.288 32.500 0.028 0.000 0.722 582 K HN 0.638 nan 8.250 nan 0.000 0.446 583 N N 1.039 119.778 118.700 0.065 0.000 2.250 583 N HA -0.079 4.661 4.740 -0.000 0.000 0.181 583 N C 1.826 177.424 175.510 0.146 0.000 1.017 583 N CA 0.561 53.720 53.050 0.182 0.000 0.866 583 N CB 0.130 38.722 38.487 0.176 0.000 0.985 583 N HN 0.089 nan 8.380 nan 0.000 0.429 584 I N 1.208 121.769 120.570 -0.016 0.000 2.208 584 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 584 I C 2.182 178.245 176.117 -0.089 0.000 1.097 584 I CA 0.951 62.187 61.300 -0.107 0.000 1.363 584 I CB -0.137 37.721 38.000 -0.237 0.000 1.051 584 I HN 0.164 nan 8.210 nan 0.000 0.413 585 I N -0.170 120.381 120.570 -0.032 0.000 2.179 585 I HA -0.335 3.835 4.170 -0.000 0.000 0.242 585 I C 2.505 178.581 176.117 -0.067 0.000 1.088 585 I CA 1.307 62.593 61.300 -0.024 0.000 1.357 585 I CB -0.428 37.548 38.000 -0.039 0.000 1.051 585 I HN 0.163 nan 8.210 nan 0.000 0.409 586 F N 2.118 121.988 119.950 -0.133 0.000 2.063 586 F HA -0.366 4.161 4.527 -0.000 0.000 0.298 586 F C 2.487 178.276 175.800 -0.018 0.000 1.109 586 F CA 1.512 59.483 58.000 -0.049 0.000 1.212 586 F CB -0.925 38.120 39.000 0.075 0.000 0.973 586 F HN 0.071 nan 8.300 nan 0.000 0.480 587 A N 0.616 123.314 122.820 -0.203 0.000 1.873 587 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 587 A C 2.414 179.656 177.584 -0.570 0.000 1.193 587 A CA 2.270 53.871 52.037 -0.726 0.000 0.629 587 A CB -1.345 17.199 19.000 -0.760 0.000 0.826 587 A HN 0.496 nan 8.150 nan 0.000 0.447 588 I N -0.059 120.266 120.570 -0.408 0.000 2.208 588 I HA -0.284 3.885 4.170 -0.000 0.000 0.245 588 I C 2.203 178.126 176.117 -0.324 0.000 1.097 588 I CA 1.386 62.432 61.300 -0.422 0.000 1.363 588 I CB -0.435 37.251 38.000 -0.522 0.000 1.051 588 I HN 0.328 nan 8.210 nan 0.000 0.413 589 N N 0.498 119.040 118.700 -0.264 0.000 2.216 589 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 589 N C 1.822 177.227 175.510 -0.175 0.000 1.017 589 N CA 0.949 53.867 53.050 -0.221 0.000 0.861 589 N CB -0.083 38.214 38.487 -0.317 0.000 0.986 589 N HN 0.210 nan 8.380 nan 0.000 0.428 590 K N 0.860 121.136 120.400 -0.207 0.000 2.025 590 K HA 0.042 4.362 4.320 -0.000 0.000 0.207 590 K C 2.113 178.613 176.600 -0.167 0.000 1.049 590 K CA 0.417 56.620 56.287 -0.141 0.000 0.933 590 K CB -0.840 31.568 32.500 -0.152 0.000 0.714 590 K HN -0.012 nan 8.250 nan 0.000 0.438 591 V N 1.697 121.374 119.914 -0.394 0.000 2.343 591 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 591 V C 2.432 178.309 176.094 -0.362 0.000 1.051 591 V CA 1.881 63.817 62.300 -0.606 0.000 1.036 591 V CB -0.822 30.509 31.823 -0.821 0.000 0.654 591 V HN 0.278 nan 8.190 nan 0.000 0.451 592 A N -0.081 122.577 122.820 -0.270 0.000 1.917 592 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 592 A C 2.009 179.519 177.584 -0.125 0.000 1.182 592 A CA 2.260 54.193 52.037 -0.175 0.000 0.633 592 A CB -0.695 18.244 19.000 -0.102 0.000 0.819 592 A HN 0.544 nan 8.150 nan 0.000 0.448 593 D N -0.549 119.799 120.400 -0.086 0.000 2.144 593 D HA -0.084 4.556 4.640 -0.000 0.000 0.199 593 D C 2.084 178.375 176.300 -0.015 0.000 0.984 593 D CA 1.330 55.312 54.000 -0.032 0.000 0.834 593 D CB -0.314 40.486 40.800 -0.002 0.000 0.955 593 D HN 0.237 nan 8.370 nan 0.000 0.465 594 V N 1.009 120.926 119.914 0.005 0.000 2.244 594 V HA -0.188 3.932 4.120 -0.000 0.000 0.244 594 V C 2.563 178.618 176.094 -0.066 0.000 1.042 594 V CA 1.015 63.350 62.300 0.059 0.000 1.006 594 V CB -0.330 31.658 31.823 0.276 0.000 0.641 594 V HN 0.141 nan 8.190 nan 0.000 0.446 595 I N 0.793 121.201 120.570 -0.270 0.000 2.194 595 I HA -0.274 3.896 4.170 -0.000 0.000 0.246 595 I C 2.129 178.118 176.117 -0.214 0.000 1.093 595 I CA 1.579 62.591 61.300 -0.481 0.000 1.355 595 I CB -0.421 37.220 38.000 -0.600 0.000 1.046 595 I HN 0.367 nan 8.210 nan 0.000 0.413 596 N N 0.574 119.197 118.700 -0.128 0.000 2.494 596 N HA -0.060 4.680 4.740 -0.000 0.000 0.182 596 N C 0.835 176.328 175.510 -0.029 0.000 1.076 596 N CA 0.746 53.758 53.050 -0.063 0.000 0.908 596 N CB -0.201 38.262 38.487 -0.041 0.000 0.967 596 N HN 0.412 nan 8.380 nan 0.000 0.449 597 N N 0.276 118.964 118.700 -0.020 0.000 2.204 597 N HA -0.021 4.719 4.740 -0.000 0.000 0.219 597 N C -0.688 174.838 175.510 0.026 0.000 1.151 597 N CA -0.038 53.016 53.050 0.007 0.000 0.867 597 N CB 0.835 39.330 38.487 0.014 0.000 1.043 597 N HN 0.090 nan 8.380 nan 0.000 0.516 598 D N 2.144 122.564 120.400 0.034 0.000 2.347 598 D HA 0.153 4.793 4.640 -0.000 0.000 0.235 598 D C -1.382 174.957 176.300 0.065 0.000 1.149 598 D CA -1.980 52.067 54.000 0.078 0.000 0.850 598 D CB 1.819 42.718 40.800 0.164 0.000 1.061 598 D HN 0.020 nan 8.370 nan 0.000 0.487 599 P HA -0.151 nan 4.420 nan 0.000 0.221 599 P C 1.641 178.967 177.300 0.045 0.000 1.145 599 P CA 0.093 63.217 63.100 0.040 0.000 0.795 599 P CB 0.531 32.249 31.700 0.031 0.000 0.775 600 L N -0.697 120.562 121.223 0.060 0.000 2.131 600 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 600 L C 2.451 179.365 176.870 0.073 0.000 1.092 600 L CA 1.438 56.315 54.840 0.061 0.000 0.759 600 L CB -1.389 40.710 42.059 0.068 0.000 0.903 600 L HN -0.103 nan 8.230 nan 0.000 0.435 601 V N -1.264 118.706 119.914 0.092 0.000 2.426 601 V HA 0.200 4.320 4.120 -0.000 0.000 0.242 601 V C 1.992 178.115 176.094 0.047 0.000 1.036 601 V CA 0.915 63.268 62.300 0.088 0.000 1.044 601 V CB -0.762 31.119 31.823 0.096 0.000 0.688 601 V HN 0.560 nan 8.190 nan 0.000 0.462 602 G N 0.817 109.638 108.800 0.036 0.000 2.672 602 G HA2 -0.405 3.554 3.960 -0.000 0.000 0.324 602 G HA3 -0.405 3.554 3.960 -0.000 0.000 0.324 602 G C 0.486 175.397 174.900 0.017 0.000 1.286 602 G CA 0.765 45.880 45.100 0.023 0.000 1.004 602 G HN 0.413 nan 8.290 nan 0.000 0.548 603 D N 0.906 121.316 120.400 0.017 0.000 2.336 603 D HA 0.159 4.799 4.640 -0.000 0.000 0.229 603 D C 2.246 178.553 176.300 0.011 0.000 1.061 603 D CA 0.398 54.407 54.000 0.015 0.000 0.875 603 D CB 0.124 40.935 40.800 0.017 0.000 0.904 603 D HN 0.512 nan 8.370 nan 0.000 0.525 604 K N -0.466 119.944 120.400 0.016 0.000 2.155 604 K HA 0.101 4.421 4.320 -0.000 0.000 0.203 604 K C 0.607 177.217 176.600 0.016 0.000 1.052 604 K CA 0.645 56.942 56.287 0.015 0.000 0.948 604 K CB 0.967 33.485 32.500 0.029 0.000 0.728 604 K HN 0.056 nan 8.250 nan 0.000 0.448 605 L N 0.934 122.168 121.223 0.018 0.000 2.543 605 L HA 0.328 4.668 4.340 -0.000 0.000 0.265 605 L C -1.581 175.290 176.870 0.002 0.000 0.945 605 L CA -0.686 54.171 54.840 0.029 0.000 0.869 605 L CB 1.844 43.921 42.059 0.030 0.000 1.294 605 L HN -0.086 nan 8.230 nan 0.000 0.405 606 K N 3.340 123.751 120.400 0.017 0.000 2.469 606 K HA 0.674 4.994 4.320 -0.000 0.000 0.254 606 K C -1.440 175.186 176.600 0.044 0.000 0.939 606 K CA -0.679 55.605 56.287 -0.004 0.000 0.812 606 K CB 3.133 35.615 32.500 -0.031 0.000 1.301 606 K HN 0.260 nan 8.250 nan 0.000 0.433 607 V N 1.749 121.679 119.914 0.027 0.000 2.483 607 V HA 0.429 4.549 4.120 -0.000 0.000 0.297 607 V C -0.653 175.489 176.094 0.081 0.000 1.027 607 V CA -0.955 61.401 62.300 0.094 0.000 0.855 607 V CB 1.912 33.759 31.823 0.040 0.000 0.995 607 V HN 0.435 nan 8.190 nan 0.000 0.424 608 V N 5.362 125.350 119.914 0.122 0.000 2.409 608 V HA 0.427 4.547 4.120 -0.000 0.000 0.290 608 V C -0.856 175.392 176.094 0.257 0.000 1.017 608 V CA -0.444 61.936 62.300 0.133 0.000 0.841 608 V CB 1.725 33.575 31.823 0.045 0.000 1.003 608 V HN 0.699 nan 8.190 nan 0.000 0.426 609 F N 5.989 126.023 119.950 0.141 0.000 2.335 609 F HA 0.498 5.025 4.527 -0.000 0.000 0.365 609 F C 0.148 176.119 175.800 0.285 0.000 1.122 609 F CA -1.281 56.840 58.000 0.202 0.000 1.151 609 F CB 0.671 39.681 39.000 0.015 0.000 1.282 609 F HN 0.278 nan 8.300 nan 0.000 0.513 610 L N 8.250 129.825 121.223 0.588 0.000 2.361 610 L HA 0.235 4.575 4.340 -0.000 0.000 0.278 610 L C -2.015 175.112 176.870 0.427 0.000 1.113 610 L CA -1.544 53.537 54.840 0.402 0.000 0.849 610 L CB 0.512 42.762 42.059 0.318 0.000 1.155 610 L HN 0.358 nan 8.230 nan 0.000 0.452 611 P HA 0.122 nan 4.420 nan 0.000 0.278 611 P C -0.301 176.969 177.300 -0.050 0.000 1.238 611 P CA -0.144 62.822 63.100 -0.223 0.000 0.794 611 P CB 0.908 32.242 31.700 -0.610 0.000 0.955 612 D N -0.340 120.025 120.400 -0.060 0.000 2.739 612 D HA -0.226 4.414 4.640 -0.000 0.000 0.240 612 D C -0.785 175.583 176.300 0.115 0.000 1.114 612 D CA 0.445 54.443 54.000 -0.003 0.000 0.695 612 D CB -2.062 38.713 40.800 -0.042 0.000 1.078 612 D HN 0.323 nan 8.370 nan 0.000 0.434 613 Y N 0.763 121.106 120.300 0.072 0.000 2.811 613 Y HA 0.215 4.765 4.550 -0.000 0.000 0.334 613 Y C 0.960 176.879 175.900 0.032 0.000 1.247 613 Y CA 0.392 58.547 58.100 0.093 0.000 1.526 613 Y CB 0.131 38.666 38.460 0.125 0.000 1.284 613 Y HN 0.471 nan 8.280 nan 0.000 0.586 614 C N 2.887 121.879 119.300 -0.513 0.000 3.295 614 C HA 0.409 4.869 4.460 -0.000 0.000 0.341 614 C C 0.908 175.645 174.990 -0.421 0.000 1.418 614 C CA -0.529 58.251 59.018 -0.398 0.000 1.240 614 C CB 0.508 28.142 27.740 -0.177 0.000 1.562 614 C HN 0.637 nan 8.230 nan 0.000 0.457 615 V N 1.528 121.313 119.914 -0.214 0.000 2.392 615 V HA -0.164 3.956 4.120 -0.000 0.000 0.249 615 V C 2.658 178.725 176.094 -0.046 0.000 1.059 615 V CA 3.017 65.283 62.300 -0.056 0.000 1.051 615 V CB -0.862 30.948 31.823 -0.021 0.000 0.658 615 V HN 0.960 nan 8.190 nan 0.000 0.455 616 S N -0.240 115.408 115.700 -0.086 0.000 2.368 616 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 616 S C 2.217 176.762 174.600 -0.092 0.000 1.030 616 S CA 1.386 59.537 58.200 -0.082 0.000 0.999 616 S CB -0.429 62.737 63.200 -0.056 0.000 0.844 616 S HN 0.663 nan 8.310 nan 0.000 0.459 617 A N 1.717 124.516 122.820 -0.034 0.000 1.877 617 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 617 A C 2.385 180.023 177.584 0.089 0.000 1.186 617 A CA 1.786 53.851 52.037 0.048 0.000 0.620 617 A CB -1.280 17.885 19.000 0.274 0.000 0.822 617 A HN 0.518 nan 8.150 nan 0.000 0.443 618 A N -0.068 122.824 122.820 0.120 0.000 1.927 618 A HA -0.273 4.046 4.320 -0.000 0.000 0.220 618 A C 1.886 179.656 177.584 0.310 0.000 1.185 618 A CA 1.964 54.175 52.037 0.291 0.000 0.639 618 A CB -0.696 18.459 19.000 0.258 0.000 0.820 618 A HN 0.675 nan 8.150 nan 0.000 0.451 619 E N -0.511 119.819 120.200 0.216 0.000 2.204 619 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 619 E C 1.956 178.560 176.600 0.006 0.000 0.990 619 E CA 1.119 57.582 56.400 0.105 0.000 0.821 619 E CB -0.054 29.597 29.700 -0.082 0.000 0.750 619 E HN 0.568 nan 8.360 nan 0.000 0.477 620 K N 0.337 120.678 120.400 -0.097 0.000 2.098 620 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 620 K C 2.257 178.855 176.600 -0.004 0.000 1.051 620 K CA 0.571 56.764 56.287 -0.158 0.000 0.957 620 K CB -0.103 32.075 32.500 -0.537 0.000 0.738 620 K HN 0.122 nan 8.250 nan 0.000 0.447 621 L N 1.031 122.294 121.223 0.068 0.000 2.056 621 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 621 L C 2.443 179.385 176.870 0.120 0.000 1.078 621 L CA 0.991 55.905 54.840 0.124 0.000 0.749 621 L CB -0.427 41.727 42.059 0.158 0.000 0.901 621 L HN 0.054 nan 8.230 nan 0.000 0.433 622 I N -0.190 120.460 120.570 0.133 0.000 2.099 622 I HA -0.234 3.936 4.170 -0.000 0.000 0.239 622 I C -0.376 175.799 176.117 0.097 0.000 1.066 622 I CA 1.585 62.954 61.300 0.115 0.000 1.324 622 I CB -1.363 36.722 38.000 0.142 0.000 1.037 622 I HN 0.179 nan 8.210 nan 0.000 0.401 623 P HA -0.163 nan 4.420 nan 0.000 0.221 623 P C 0.940 178.264 177.300 0.039 0.000 1.145 623 P CA 1.473 64.601 63.100 0.045 0.000 0.795 623 P CB -0.007 31.709 31.700 0.026 0.000 0.775 624 A N -1.137 121.733 122.820 0.084 0.000 2.238 624 A HA 0.430 4.750 4.320 -0.000 0.000 0.210 624 A C 1.188 178.861 177.584 0.148 0.000 1.179 624 A CA 0.155 52.261 52.037 0.114 0.000 0.827 624 A CB -0.724 18.414 19.000 0.229 0.000 0.856 624 A HN 0.198 nan 8.150 nan 0.000 0.488 625 A N 0.285 123.186 122.820 0.134 0.000 2.450 625 A HA 0.409 4.729 4.320 -0.000 0.000 0.255 625 A C 0.440 178.118 177.584 0.157 0.000 1.096 625 A CA -0.089 52.034 52.037 0.143 0.000 0.778 625 A CB 0.243 19.298 19.000 0.092 0.000 1.031 625 A HN 0.332 nan 8.150 nan 0.000 0.494 626 D N 0.956 121.462 120.400 0.177 0.000 2.269 626 D HA 0.084 4.724 4.640 -0.000 0.000 0.220 626 D C 0.282 176.790 176.300 0.347 0.000 0.962 626 D CA 1.096 55.282 54.000 0.311 0.000 0.884 626 D CB 0.201 41.109 40.800 0.181 0.000 1.023 626 D HN 0.384 nan 8.370 nan 0.000 0.484 627 I N 0.966 121.635 120.570 0.164 0.000 2.433 627 I HA 0.135 4.305 4.170 -0.000 0.000 0.292 627 I C -0.023 176.122 176.117 0.048 0.000 1.001 627 I CA -0.467 60.899 61.300 0.110 0.000 1.119 627 I CB 1.758 39.762 38.000 0.007 0.000 1.289 627 I HN -0.230 nan 8.210 nan 0.000 0.438 628 S N 6.275 122.010 115.700 0.057 0.000 2.422 628 S HA 0.289 4.759 4.470 -0.000 0.000 0.308 628 S C -0.179 174.444 174.600 0.038 0.000 1.097 628 S CA -0.571 57.643 58.200 0.024 0.000 1.099 628 S CB 0.343 63.554 63.200 0.018 0.000 0.976 628 S HN 0.400 nan 8.310 nan 0.000 0.471 629 E N 4.068 124.276 120.200 0.013 0.000 2.052 629 E HA 0.196 4.546 4.350 -0.000 0.000 0.283 629 E C -0.459 176.158 176.600 0.027 0.000 1.071 629 E CA -0.288 56.141 56.400 0.049 0.000 0.851 629 E CB 0.944 30.653 29.700 0.015 0.000 1.066 629 E HN 0.605 nan 8.360 nan 0.000 0.396 630 Q N 2.730 122.568 119.800 0.064 0.000 3.075 630 Q HA 0.246 4.586 4.340 -0.000 0.000 0.318 630 Q C 0.664 176.686 176.000 0.037 0.000 0.907 630 Q CA -0.110 55.709 55.803 0.026 0.000 0.882 630 Q CB 0.178 28.920 28.738 0.007 0.000 1.386 630 Q HN 0.607 nan 8.270 nan 0.000 0.408 631 I N -1.885 118.704 120.570 0.032 0.000 3.816 631 I HA 0.272 4.442 4.170 -0.000 0.000 0.334 631 I C 0.493 176.604 176.117 -0.010 0.000 1.551 631 I CA -0.609 60.711 61.300 0.033 0.000 1.153 631 I CB 0.416 38.419 38.000 0.005 0.000 1.197 631 I HN -0.015 nan 8.210 nan 0.000 0.439 632 S N 0.404 116.109 115.700 0.008 0.000 2.576 632 S HA 0.181 4.651 4.470 -0.000 0.000 0.272 632 S C 0.560 175.181 174.600 0.035 0.000 1.352 632 S CA -0.259 57.984 58.200 0.072 0.000 1.021 632 S CB 0.349 63.653 63.200 0.174 0.000 0.887 632 S HN 0.373 nan 8.310 nan 0.000 0.542 633 T N 2.649 117.261 114.554 0.096 0.000 2.902 633 T HA 0.395 4.745 4.350 -0.000 0.000 0.301 633 T C 0.666 175.372 174.700 0.010 0.000 1.012 633 T CA 0.288 62.427 62.100 0.065 0.000 1.151 633 T CB 0.060 69.044 68.868 0.194 0.000 0.946 633 T HN 0.984 nan 8.240 nan 0.000 0.542 634 A N 2.622 125.417 122.820 -0.042 0.000 2.520 634 A HA 0.513 4.833 4.320 -0.000 0.000 0.245 634 A C 1.580 179.132 177.584 -0.053 0.000 1.072 634 A CA 0.224 52.226 52.037 -0.059 0.000 0.761 634 A CB -0.697 18.262 19.000 -0.069 0.000 1.004 634 A HN 1.543 nan 8.150 nan 0.000 0.499 635 G N 1.934 110.700 108.800 -0.057 0.000 2.195 635 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.224 635 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.224 635 G C 0.836 175.677 174.900 -0.098 0.000 0.990 635 G CA 0.508 45.572 45.100 -0.061 0.000 0.639 635 G HN 0.653 nan 8.290 nan 0.000 0.514 636 K N 0.054 120.367 120.400 -0.145 0.000 2.365 636 K HA 0.222 4.542 4.320 -0.000 0.000 0.195 636 K C 0.663 176.915 176.600 -0.580 0.000 1.079 636 K CA 0.333 56.404 56.287 -0.359 0.000 0.979 636 K CB 0.520 32.823 32.500 -0.328 0.000 0.929 636 K HN 0.393 nan 8.250 nan 0.000 0.523 637 E N 1.396 121.443 120.200 -0.256 0.000 2.044 637 E HA 0.303 4.653 4.350 -0.000 0.000 0.282 637 E C 0.624 177.145 176.600 -0.131 0.000 1.031 637 E CA -0.145 56.187 56.400 -0.113 0.000 0.824 637 E CB 1.145 30.883 29.700 0.062 0.000 1.076 637 E HN 0.156 nan 8.360 nan 0.000 0.395 638 A N 3.417 126.108 122.820 -0.216 0.000 1.883 638 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 638 A C 1.937 179.429 177.584 -0.154 0.000 1.186 638 A CA 2.131 53.956 52.037 -0.352 0.000 0.624 638 A CB -0.274 18.247 19.000 -0.798 0.000 0.822 638 A HN 0.602 nan 8.150 nan 0.000 0.444 639 S N -3.675 111.972 115.700 -0.089 0.000 4.098 639 S HA 0.470 4.939 4.470 -0.000 0.000 0.193 639 S C 0.601 175.187 174.600 -0.024 0.000 1.049 639 S CA 1.462 59.649 58.200 -0.021 0.000 1.034 639 S CB 0.064 63.275 63.200 0.018 0.000 1.380 639 S HN 2.241 nan 8.310 nan 0.000 0.629 640 G N 0.381 109.170 108.800 -0.018 0.000 2.895 640 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.686 640 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.686 640 G C 0.191 175.053 174.900 -0.063 0.000 1.108 640 G CA 0.388 45.465 45.100 -0.037 0.000 0.761 640 G HN 1.188 nan 8.290 nan 0.000 0.611 641 T N -1.016 113.485 114.554 -0.088 0.000 2.964 641 T HA 0.373 4.723 4.350 -0.000 0.000 0.250 641 T C 2.459 177.036 174.700 -0.204 0.000 0.982 641 T CA 1.248 63.269 62.100 -0.131 0.000 0.959 641 T CB 0.343 69.144 68.868 -0.112 0.000 1.141 641 T HN 1.822 nan 8.240 nan 0.000 0.494 642 G N 3.572 112.260 108.800 -0.187 0.000 2.469 642 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.219 642 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.219 642 G C 1.592 176.386 174.900 -0.178 0.000 1.150 642 G CA 1.478 46.457 45.100 -0.202 0.000 0.763 642 G HN 0.680 nan 8.290 nan 0.000 0.561 643 N N 1.079 119.686 118.700 -0.154 0.000 2.061 643 N HA -0.191 4.549 4.740 -0.000 0.000 0.193 643 N C 2.067 177.450 175.510 -0.212 0.000 1.030 643 N CA 2.122 55.077 53.050 -0.159 0.000 0.856 643 N CB -0.815 37.579 38.487 -0.156 0.000 1.023 643 N HN 0.426 nan 8.380 nan 0.000 0.424 644 M N 0.275 119.710 119.600 -0.274 0.000 2.086 644 M HA -0.034 4.446 4.480 -0.000 0.000 0.261 644 M C 2.150 178.359 176.300 -0.152 0.000 1.067 644 M CA 1.598 56.716 55.300 -0.303 0.000 1.116 644 M CB -0.230 32.206 32.600 -0.274 0.000 1.348 644 M HN 0.108 nan 8.290 nan 0.000 0.407 645 K N 0.527 120.820 120.400 -0.179 0.000 2.032 645 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 645 K C 1.850 178.416 176.600 -0.056 0.000 1.048 645 K CA 1.331 57.530 56.287 -0.147 0.000 0.927 645 K CB -0.383 31.900 32.500 -0.361 0.000 0.712 645 K HN 0.272 nan 8.250 nan 0.000 0.441 646 L N 0.200 121.377 121.223 -0.078 0.000 2.093 646 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 646 L C 2.497 179.367 176.870 -0.000 0.000 1.085 646 L CA 1.006 55.831 54.840 -0.025 0.000 0.755 646 L CB -0.391 41.647 42.059 -0.036 0.000 0.904 646 L HN 0.221 nan 8.230 nan 0.000 0.435 647 A N -0.195 122.607 122.820 -0.029 0.000 1.898 647 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 647 A C 2.221 179.826 177.584 0.036 0.000 1.181 647 A CA 1.204 53.236 52.037 -0.010 0.000 0.620 647 A CB -0.645 18.322 19.000 -0.056 0.000 0.819 647 A HN 0.334 nan 8.150 nan 0.000 0.442 648 L N -0.110 121.139 121.223 0.044 0.000 2.131 648 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 648 L C 1.595 178.510 176.870 0.075 0.000 1.092 648 L CA 0.927 55.813 54.840 0.076 0.000 0.759 648 L CB -0.321 41.796 42.059 0.097 0.000 0.903 648 L HN 0.422 nan 8.230 nan 0.000 0.435 649 N N -0.330 118.410 118.700 0.066 0.000 2.336 649 N HA 0.045 4.785 4.740 -0.000 0.000 0.189 649 N C 1.119 176.662 175.510 0.054 0.000 1.113 649 N CA 0.928 54.006 53.050 0.046 0.000 0.858 649 N CB 1.010 39.529 38.487 0.053 0.000 0.970 649 N HN 0.413 nan 8.380 nan 0.000 0.471 650 G N 0.186 109.060 108.800 0.124 0.000 2.148 650 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.203 650 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.203 650 G C 0.108 175.112 174.900 0.174 0.000 0.993 650 G CA 0.003 45.229 45.100 0.210 0.000 0.661 650 G HN 0.501 nan 8.290 nan 0.000 0.518 651 A N 0.228 123.120 122.820 0.121 0.000 2.354 651 A HA 0.791 5.111 4.320 -0.000 0.000 0.269 651 A C 0.515 178.131 177.584 0.053 0.000 1.109 651 A CA -0.202 51.911 52.037 0.126 0.000 0.800 651 A CB 0.496 19.554 19.000 0.097 0.000 1.045 651 A HN 0.811 nan 8.150 nan 0.000 0.489 652 L N 1.428 122.673 121.223 0.036 0.000 2.334 652 L HA 0.391 4.731 4.340 -0.000 0.000 0.277 652 L C 0.342 177.283 176.870 0.119 0.000 1.075 652 L CA -0.442 54.396 54.840 -0.004 0.000 0.804 652 L CB 1.489 43.451 42.059 -0.162 0.000 1.174 652 L HN 0.644 nan 8.230 nan 0.000 0.438 653 T N 2.008 116.640 114.554 0.131 0.000 2.806 653 T HA 0.364 4.714 4.350 -0.000 0.000 0.290 653 T C -0.106 174.756 174.700 0.272 0.000 0.966 653 T CA -0.354 61.833 62.100 0.144 0.000 1.060 653 T CB 1.429 70.339 68.868 0.070 0.000 0.927 653 T HN 0.209 nan 8.240 nan 0.000 0.485 654 V N 3.315 123.370 119.914 0.236 0.000 2.347 654 V HA 0.795 4.915 4.120 -0.000 0.000 0.280 654 V C 0.575 176.904 176.094 0.392 0.000 1.021 654 V CA -0.400 62.094 62.300 0.322 0.000 0.847 654 V CB 1.131 33.064 31.823 0.184 0.000 0.990 654 V HN 1.071 nan 8.190 nan 0.000 0.444 655 G N 2.515 111.584 108.800 0.448 0.000 2.742 655 G HA2 0.603 4.563 3.960 -0.000 0.000 0.296 655 G HA3 0.603 4.563 3.960 -0.000 0.000 0.296 655 G C -0.508 174.259 174.900 -0.220 0.000 1.436 655 G CA -0.283 44.907 45.100 0.150 0.000 0.928 655 G HN 0.684 nan 8.290 nan 0.000 0.520 656 T N -0.655 113.661 114.554 -0.398 0.000 2.849 656 T HA 0.476 4.826 4.350 -0.000 0.000 0.284 656 T C 0.671 175.228 174.700 -0.238 0.000 1.004 656 T CA -0.661 61.141 62.100 -0.496 0.000 1.021 656 T CB 1.319 69.943 68.868 -0.406 0.000 1.013 656 T HN 0.372 nan 8.240 nan 0.000 0.527 657 L N 2.176 123.281 121.223 -0.198 0.000 2.382 657 L HA 0.310 4.650 4.340 -0.000 0.000 0.259 657 L C -0.198 176.622 176.870 -0.084 0.000 1.291 657 L CA 0.195 54.969 54.840 -0.109 0.000 1.176 657 L CB -0.798 41.210 42.059 -0.086 0.000 1.373 657 L HN 0.777 nan 8.230 nan 0.000 0.426 658 D N 0.704 121.060 120.400 -0.073 0.000 2.661 658 D HA 0.582 5.222 4.640 -0.000 0.000 0.228 658 D C 0.474 176.754 176.300 -0.033 0.000 1.210 658 D CA 0.747 54.716 54.000 -0.052 0.000 0.826 658 D CB 2.001 42.764 40.800 -0.061 0.000 1.542 658 D HN 0.384 nan 8.370 nan 0.000 0.447 659 G N 1.325 110.115 108.800 -0.017 0.000 2.634 659 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.309 659 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.309 659 G C 0.981 175.885 174.900 0.007 0.000 1.265 659 G CA 1.176 46.273 45.100 -0.006 0.000 0.998 659 G HN 1.175 nan 8.290 nan 0.000 0.551 660 A N -0.174 122.640 122.820 -0.010 0.000 2.251 660 A HA 0.226 4.546 4.320 -0.000 0.000 0.209 660 A C 2.019 179.569 177.584 -0.057 0.000 1.187 660 A CA 1.527 53.560 52.037 -0.006 0.000 0.823 660 A CB -0.341 18.640 19.000 -0.031 0.000 0.846 660 A HN 0.576 nan 8.150 nan 0.000 0.486 661 N N 0.467 119.130 118.700 -0.062 0.000 2.149 661 N HA -0.171 4.568 4.740 -0.000 0.000 0.188 661 N C 1.850 177.345 175.510 -0.025 0.000 1.019 661 N CA 1.652 54.666 53.050 -0.060 0.000 0.857 661 N CB -0.642 37.812 38.487 -0.055 0.000 0.997 661 N HN 0.495 nan 8.380 nan 0.000 0.426 662 V N 0.239 120.149 119.914 -0.006 0.000 2.358 662 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 662 V C 1.723 177.846 176.094 0.049 0.000 1.047 662 V CA 1.687 63.993 62.300 0.010 0.000 1.035 662 V CB -0.421 31.404 31.823 0.003 0.000 0.658 662 V HN 0.151 nan 8.190 nan 0.000 0.452 663 E N 0.251 120.508 120.200 0.096 0.000 2.106 663 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 663 E C 2.090 178.860 176.600 0.284 0.000 0.984 663 E CA 1.798 58.315 56.400 0.194 0.000 0.806 663 E CB -0.285 29.589 29.700 0.290 0.000 0.750 663 E HN 0.720 nan 8.360 nan 0.000 0.458 664 I N 0.988 121.666 120.570 0.180 0.000 2.142 664 I HA -0.309 3.861 4.170 -0.000 0.000 0.240 664 I C 2.507 178.672 176.117 0.079 0.000 1.078 664 I CA 1.146 62.508 61.300 0.104 0.000 1.343 664 I CB -0.356 37.567 38.000 -0.127 0.000 1.046 664 I HN 0.111 nan 8.210 nan 0.000 0.405 665 A N 0.167 123.004 122.820 0.029 0.000 1.908 665 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 665 A C 2.343 179.934 177.584 0.011 0.000 1.181 665 A CA 2.177 54.216 52.037 0.003 0.000 0.627 665 A CB -0.772 18.221 19.000 -0.011 0.000 0.818 665 A HN 0.558 nan 8.150 nan 0.000 0.445 666 E N -0.524 119.695 120.200 0.031 0.000 2.110 666 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 666 E C 1.759 178.373 176.600 0.024 0.000 0.988 666 E CA 1.221 57.634 56.400 0.022 0.000 0.804 666 E CB -0.051 29.665 29.700 0.027 0.000 0.745 666 E HN 0.381 nan 8.360 nan 0.000 0.458 667 K N 0.351 120.786 120.400 0.059 0.000 2.062 667 K HA -0.076 4.244 4.320 -0.000 0.000 0.205 667 K C 2.315 178.932 176.600 0.030 0.000 1.051 667 K CA 1.299 57.615 56.287 0.049 0.000 0.941 667 K CB -0.246 32.312 32.500 0.097 0.000 0.719 667 K HN 0.287 nan 8.250 nan 0.000 0.440 668 V N -2.326 117.606 119.914 0.031 0.000 2.649 668 V HA 0.236 4.356 4.120 -0.000 0.000 0.248 668 V C 0.855 176.925 176.094 -0.040 0.000 1.054 668 V CA 0.737 63.035 62.300 -0.005 0.000 1.073 668 V CB -0.826 30.987 31.823 -0.017 0.000 0.699 668 V HN 0.334 nan 8.190 nan 0.000 0.463 669 G N 1.367 110.143 108.800 -0.040 0.000 2.784 669 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.686 669 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.686 669 G C 0.067 174.918 174.900 -0.082 0.000 1.156 669 G CA 0.058 45.124 45.100 -0.056 0.000 0.757 669 G HN 0.807 nan 8.290 nan 0.000 0.642 670 E N 0.236 120.389 120.200 -0.078 0.000 2.338 670 E HA -0.122 4.228 4.350 -0.000 0.000 0.197 670 E C 1.657 178.169 176.600 -0.148 0.000 1.007 670 E CA 1.366 57.708 56.400 -0.098 0.000 0.849 670 E CB -0.017 29.642 29.700 -0.069 0.000 0.774 670 E HN 0.643 nan 8.360 nan 0.000 0.506 671 E N 1.088 121.204 120.200 -0.140 0.000 2.482 671 E HA -0.074 4.276 4.350 -0.000 0.000 0.196 671 E C 0.579 177.031 176.600 -0.248 0.000 1.047 671 E CA 0.329 56.627 56.400 -0.170 0.000 0.869 671 E CB -0.165 29.465 29.700 -0.117 0.000 0.836 671 E HN 0.285 nan 8.360 nan 0.000 0.520 672 N N 0.400 118.953 118.700 -0.244 0.000 2.200 672 N HA 0.281 5.021 4.740 -0.000 0.000 0.224 672 N C -0.290 175.036 175.510 -0.307 0.000 1.179 672 N CA -0.038 52.854 53.050 -0.263 0.000 0.877 672 N CB 1.626 40.011 38.487 -0.170 0.000 1.072 672 N HN 0.223 nan 8.380 nan 0.000 0.519 673 I N -0.719 119.622 120.570 -0.382 0.000 2.918 673 I HA 0.355 4.525 4.170 -0.000 0.000 0.301 673 I C -1.461 174.407 176.117 -0.416 0.000 1.312 673 I CA -0.799 60.332 61.300 -0.281 0.000 1.007 673 I CB 1.696 39.630 38.000 -0.110 0.000 1.281 673 I HN -0.268 nan 8.210 nan 0.000 0.440 674 F N 7.551 127.510 119.950 0.015 0.000 2.344 674 F HA 0.413 4.939 4.527 -0.001 0.000 0.344 674 F C 0.094 175.977 175.800 0.138 0.000 1.140 674 F CA -0.551 57.488 58.000 0.065 0.000 1.256 674 F CB 0.132 39.171 39.000 0.065 0.000 1.573 674 F HN 0.063 nan 8.300 nan 0.000 0.547 675 I N 3.222 123.903 120.570 0.185 0.000 2.575 675 I HA 0.225 4.395 4.170 -0.000 0.000 0.285 675 I C 0.007 176.267 176.117 0.240 0.000 1.085 675 I CA -0.364 61.022 61.300 0.143 0.000 1.403 675 I CB 0.270 38.285 38.000 0.024 0.000 1.409 675 I HN 0.372 nan 8.210 nan 0.000 0.557 676 F N 2.395 122.374 119.950 0.048 0.000 2.686 676 F HA 0.829 5.357 4.527 0.001 0.000 0.311 676 F C -0.079 175.715 175.800 -0.009 0.000 1.128 676 F CA -0.328 57.689 58.000 0.029 0.000 0.946 676 F CB 1.251 40.292 39.000 0.068 0.000 1.336 676 F HN 0.829 nan 8.300 nan 0.000 0.457 677 G N 0.664 109.445 108.800 -0.033 0.000 2.685 677 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.387 677 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.387 677 G C -1.438 173.306 174.900 -0.258 0.000 1.324 677 G CA -0.656 44.361 45.100 -0.137 0.000 0.878 677 G HN 1.198 nan 8.290 nan 0.000 0.527 678 H N 0.792 119.817 119.070 -0.074 0.000 2.732 678 H HA 0.402 4.958 4.556 -0.001 0.000 0.351 678 H C 1.460 176.728 175.328 -0.100 0.000 1.090 678 H CA 0.817 56.823 56.048 -0.071 0.000 1.431 678 H CB 0.709 30.417 29.762 -0.090 0.000 1.447 678 H HN 0.918 nan 8.280 nan 0.000 0.582 679 T N -1.471 113.098 114.554 0.026 0.000 2.698 679 T HA 0.073 4.423 4.350 -0.000 0.000 0.295 679 T C 1.780 176.474 174.700 -0.010 0.000 1.007 679 T CA -0.695 61.397 62.100 -0.014 0.000 0.980 679 T CB 0.404 69.265 68.868 -0.011 0.000 1.036 679 T HN 0.269 nan 8.240 nan 0.000 0.526 680 V N 1.378 121.275 119.914 -0.028 0.000 2.287 680 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 680 V C 2.848 178.920 176.094 -0.036 0.000 1.053 680 V CA 2.267 64.544 62.300 -0.038 0.000 1.027 680 V CB -1.202 30.598 31.823 -0.039 0.000 0.646 680 V HN 0.874 nan 8.190 nan 0.000 0.447 681 E N 0.100 120.286 120.200 -0.024 0.000 2.085 681 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 681 E C 2.283 178.877 176.600 -0.011 0.000 0.994 681 E CA 1.431 57.820 56.400 -0.018 0.000 0.801 681 E CB -0.318 29.377 29.700 -0.009 0.000 0.743 681 E HN 0.671 nan 8.360 nan 0.000 0.453 682 Q N -0.125 119.682 119.800 0.013 0.000 2.167 682 Q HA -0.068 4.271 4.340 -0.000 0.000 0.202 682 Q C 2.190 178.159 176.000 -0.051 0.000 0.970 682 Q CA 0.987 56.812 55.803 0.037 0.000 0.855 682 Q CB 0.097 28.930 28.738 0.158 0.000 0.911 682 Q HN 0.151 nan 8.270 nan 0.000 0.438 683 V N 1.310 121.179 119.914 -0.075 0.000 2.270 683 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 683 V C 2.019 178.018 176.094 -0.158 0.000 1.043 683 V CA 1.766 63.962 62.300 -0.174 0.000 1.014 683 V CB -0.409 31.329 31.823 -0.141 0.000 0.645 683 V HN 0.283 nan 8.190 nan 0.000 0.447 684 K N 0.241 120.580 120.400 -0.101 0.000 2.113 684 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 684 K C 2.259 178.819 176.600 -0.066 0.000 1.047 684 K CA 1.589 57.827 56.287 -0.082 0.000 0.928 684 K CB -0.417 32.047 32.500 -0.061 0.000 0.716 684 K HN 0.499 nan 8.250 nan 0.000 0.446 685 A N 1.347 124.136 122.820 -0.052 0.000 1.855 685 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 685 A C 2.133 179.702 177.584 -0.024 0.000 1.191 685 A CA 1.227 53.250 52.037 -0.024 0.000 0.613 685 A CB -0.547 18.453 19.000 -0.000 0.000 0.829 685 A HN 0.164 nan 8.150 nan 0.000 0.442 686 I N -0.234 120.297 120.570 -0.065 0.000 2.264 686 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 686 I C 2.390 178.491 176.117 -0.026 0.000 1.111 686 I CA 1.070 62.337 61.300 -0.055 0.000 1.382 686 I CB -0.206 37.654 38.000 -0.234 0.000 1.060 686 I HN 0.312 nan 8.210 nan 0.000 0.418 687 L N -0.064 121.107 121.223 -0.087 0.000 2.027 687 L HA -0.169 4.171 4.340 -0.000 0.000 0.206 687 L C 2.832 179.703 176.870 0.001 0.000 1.074 687 L CA 1.293 56.106 54.840 -0.045 0.000 0.745 687 L CB -0.715 41.286 42.059 -0.095 0.000 0.898 687 L HN 0.225 nan 8.230 nan 0.000 0.433 688 A N 0.203 123.016 122.820 -0.013 0.000 1.883 688 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 688 A C 2.367 179.962 177.584 0.018 0.000 1.186 688 A CA 2.111 54.146 52.037 -0.003 0.000 0.624 688 A CB -0.539 18.454 19.000 -0.011 0.000 0.822 688 A HN 0.357 nan 8.150 nan 0.000 0.444 689 K N -0.436 119.983 120.400 0.032 0.000 2.365 689 K HA 0.109 4.429 4.320 -0.000 0.000 0.199 689 K C 0.440 177.078 176.600 0.065 0.000 1.045 689 K CA 0.913 57.229 56.287 0.047 0.000 0.962 689 K CB -0.496 32.039 32.500 0.059 0.000 0.759 689 K HN 1.053 nan 8.250 nan 0.000 0.469 690 G N 1.274 110.123 108.800 0.082 0.000 3.251 690 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.680 690 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.680 690 G C -1.408 173.592 174.900 0.167 0.000 1.129 690 G CA -0.297 44.860 45.100 0.096 0.000 0.994 690 G HN 0.311 nan 8.290 nan 0.000 0.450 691 Y N 2.779 123.100 120.300 0.034 0.000 2.326 691 Y HA 0.635 5.185 4.550 -0.000 0.000 0.337 691 Y C -0.306 175.643 175.900 0.081 0.000 1.023 691 Y CA -1.632 56.506 58.100 0.063 0.000 1.143 691 Y CB 2.077 40.531 38.460 -0.011 0.000 1.183 691 Y HN 0.455 nan 8.280 nan 0.000 0.485 692 D N 9.163 129.438 120.400 -0.209 0.000 2.462 692 D HA 0.328 4.968 4.640 -0.000 0.000 0.249 692 D C -1.984 174.112 176.300 -0.341 0.000 1.117 692 D CA -2.596 51.256 54.000 -0.247 0.000 0.900 692 D CB 1.460 42.233 40.800 -0.046 0.000 1.039 692 D HN 0.348 nan 8.370 nan 0.000 0.516 693 P HA -0.153 nan 4.420 nan 0.000 0.219 693 P C 1.452 178.722 177.300 -0.049 0.000 1.146 693 P CA 0.505 63.349 63.100 -0.426 0.000 0.808 693 P CB 0.520 32.017 31.700 -0.338 0.000 0.779 694 V N 0.447 120.334 119.914 -0.045 0.000 2.548 694 V HA -0.169 3.951 4.120 -0.000 0.000 0.249 694 V C 2.720 178.844 176.094 0.050 0.000 1.055 694 V CA 1.556 63.862 62.300 0.010 0.000 1.065 694 V CB -1.079 30.739 31.823 -0.008 0.000 0.681 694 V HN 0.116 nan 8.190 nan 0.000 0.462 695 K N -0.946 119.487 120.400 0.055 0.000 2.009 695 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 695 K C 2.010 178.646 176.600 0.059 0.000 1.049 695 K CA 2.194 58.497 56.287 0.027 0.000 0.929 695 K CB -0.260 32.230 32.500 -0.017 0.000 0.714 695 K HN 0.510 nan 8.250 nan 0.000 0.440 696 W N 1.094 122.392 121.300 -0.003 0.000 2.335 696 W HA -0.146 4.512 4.660 -0.003 0.000 0.311 696 W C 2.411 178.953 176.519 0.038 0.000 1.213 696 W CA 1.455 58.834 57.345 0.056 0.000 1.274 696 W CB -0.428 29.102 29.460 0.117 0.000 1.148 696 W HN 0.159 nan 8.180 nan 0.000 0.498 697 R N 0.842 121.489 120.500 0.245 0.000 2.096 697 R HA -0.209 4.131 4.340 -0.000 0.000 0.240 697 R C 2.051 178.393 176.300 0.069 0.000 1.139 697 R CA 1.693 57.858 56.100 0.108 0.000 0.952 697 R CB -0.318 30.011 30.300 0.049 0.000 0.854 697 R HN -0.067 nan 8.270 nan 0.000 0.436 698 K N 0.508 120.942 120.400 0.057 0.000 2.097 698 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 698 K C 1.971 178.587 176.600 0.026 0.000 1.050 698 K CA 0.994 57.298 56.287 0.028 0.000 0.938 698 K CB -0.045 32.463 32.500 0.014 0.000 0.718 698 K HN 0.147 nan 8.250 nan 0.000 0.442 699 K N 1.038 121.456 120.400 0.029 0.000 2.148 699 K HA -0.064 4.255 4.320 -0.000 0.000 0.204 699 K C 0.546 177.178 176.600 0.053 0.000 1.050 699 K CA 0.509 56.806 56.287 0.016 0.000 0.942 699 K CB -0.248 32.230 32.500 -0.037 0.000 0.724 699 K HN 0.134 nan 8.250 nan 0.000 0.446 700 D N 1.074 121.531 120.400 0.095 0.000 2.313 700 D HA 0.043 4.683 4.640 -0.000 0.000 0.239 700 D C 0.597 176.948 176.300 0.084 0.000 1.142 700 D CA -0.084 53.993 54.000 0.127 0.000 0.847 700 D CB 1.121 42.054 40.800 0.222 0.000 1.082 700 D HN -0.296 nan 8.370 nan 0.000 0.480 701 K N 2.645 123.091 120.400 0.077 0.000 2.097 701 K HA -0.029 4.290 4.320 -0.000 0.000 0.205 701 K C 1.784 178.413 176.600 0.049 0.000 1.050 701 K CA 0.551 56.868 56.287 0.050 0.000 0.938 701 K CB -0.379 32.145 32.500 0.041 0.000 0.718 701 K HN 0.299 nan 8.250 nan 0.000 0.442 702 V N 1.230 121.200 119.914 0.092 0.000 2.323 702 V HA -0.183 3.936 4.120 -0.000 0.000 0.244 702 V C 2.266 178.370 176.094 0.015 0.000 1.041 702 V CA 1.165 63.527 62.300 0.103 0.000 1.025 702 V CB -0.480 31.464 31.823 0.202 0.000 0.656 702 V HN 0.138 nan 8.190 nan 0.000 0.451 703 L N 1.029 122.206 121.223 -0.077 0.000 2.051 703 L HA -0.250 4.090 4.340 -0.000 0.000 0.214 703 L C 2.062 178.800 176.870 -0.219 0.000 1.076 703 L CA 2.736 57.304 54.840 -0.454 0.000 0.758 703 L CB -0.938 40.818 42.059 -0.505 0.000 0.890 703 L HN 0.507 nan 8.230 nan 0.000 0.433 704 D N -0.999 119.349 120.400 -0.087 0.000 2.103 704 D HA -0.112 4.527 4.640 -0.000 0.000 0.199 704 D C 2.104 178.382 176.300 -0.036 0.000 0.978 704 D CA 1.365 55.338 54.000 -0.045 0.000 0.829 704 D CB -0.063 40.730 40.800 -0.011 0.000 0.981 704 D HN 0.416 nan 8.370 nan 0.000 0.464 705 A N -0.085 122.721 122.820 -0.024 0.000 1.933 705 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 705 A C 2.495 180.071 177.584 -0.014 0.000 1.175 705 A CA 1.504 53.532 52.037 -0.015 0.000 0.628 705 A CB -0.845 18.151 19.000 -0.006 0.000 0.814 705 A HN 0.250 nan 8.150 nan 0.000 0.444 706 V N -0.092 119.807 119.914 -0.026 0.000 2.488 706 V HA -0.152 3.968 4.120 -0.000 0.000 0.246 706 V C 2.477 178.562 176.094 -0.014 0.000 1.046 706 V CA 1.609 63.903 62.300 -0.011 0.000 1.053 706 V CB -0.448 31.363 31.823 -0.020 0.000 0.679 706 V HN 0.590 nan 8.190 nan 0.000 0.458 707 L N -0.524 120.669 121.223 -0.050 0.000 2.127 707 L HA -0.213 4.127 4.340 -0.000 0.000 0.211 707 L C 2.503 179.378 176.870 0.009 0.000 1.089 707 L CA 1.641 56.466 54.840 -0.025 0.000 0.757 707 L CB -0.626 41.409 42.059 -0.040 0.000 0.899 707 L HN 0.278 nan 8.230 nan 0.000 0.434 708 K N -0.057 120.344 120.400 0.001 0.000 2.148 708 K HA -0.152 4.167 4.320 -0.000 0.000 0.204 708 K C 1.974 178.583 176.600 0.014 0.000 1.050 708 K CA 1.040 57.330 56.287 0.004 0.000 0.942 708 K CB -0.037 32.458 32.500 -0.008 0.000 0.724 708 K HN 0.358 nan 8.250 nan 0.000 0.446 709 E N 0.826 121.044 120.200 0.030 0.000 2.118 709 E HA -0.168 4.181 4.350 -0.000 0.000 0.195 709 E C 1.905 178.588 176.600 0.139 0.000 0.992 709 E CA 0.945 57.380 56.400 0.058 0.000 0.804 709 E CB -0.021 29.755 29.700 0.128 0.000 0.741 709 E HN 0.233 nan 8.360 nan 0.000 0.458 710 L N 0.443 121.757 121.223 0.152 0.000 2.240 710 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 710 L C 1.983 178.992 176.870 0.231 0.000 1.106 710 L CA 0.819 55.787 54.840 0.214 0.000 0.793 710 L CB -0.070 42.032 42.059 0.071 0.000 0.927 710 L HN 0.056 nan 8.230 nan 0.000 0.446 711 E N -0.575 119.685 120.200 0.099 0.000 2.299 711 E HA -0.114 4.235 4.350 -0.000 0.000 0.193 711 E C 2.144 178.731 176.600 -0.023 0.000 0.998 711 E CA 1.044 57.459 56.400 0.025 0.000 0.851 711 E CB 0.173 29.875 29.700 0.005 0.000 0.795 711 E HN 0.440 nan 8.360 nan 0.000 0.492 712 S N -1.225 114.473 115.700 -0.003 0.000 2.503 712 S HA 0.159 4.629 4.470 -0.000 0.000 0.217 712 S C 1.676 176.244 174.600 -0.053 0.000 0.999 712 S CA 0.441 58.617 58.200 -0.041 0.000 0.914 712 S CB 0.638 63.809 63.200 -0.048 0.000 0.782 712 S HN 0.296 nan 8.310 nan 0.000 0.520 713 G N 2.004 110.788 108.800 -0.026 0.000 2.157 713 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.248 713 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.248 713 G C 0.702 175.566 174.900 -0.060 0.000 0.979 713 G CA 0.558 45.634 45.100 -0.041 0.000 0.650 713 G HN 0.603 nan 8.290 nan 0.000 0.529 714 K N -0.600 119.721 120.400 -0.131 0.000 2.113 714 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 714 K C 1.635 178.026 176.600 -0.350 0.000 1.047 714 K CA 1.822 57.928 56.287 -0.302 0.000 0.928 714 K CB -0.189 32.010 32.500 -0.502 0.000 0.716 714 K HN 0.518 nan 8.250 nan 0.000 0.446 715 Y N -0.220 120.128 120.300 0.081 0.000 2.458 715 Y HA 0.126 4.676 4.550 -0.000 0.000 0.256 715 Y C 0.890 176.838 175.900 0.080 0.000 1.159 715 Y CA 0.091 58.241 58.100 0.082 0.000 1.261 715 Y CB 0.871 39.370 38.460 0.065 0.000 1.119 715 Y HN 0.103 nan 8.280 nan 0.000 0.524 716 S N -2.065 113.707 115.700 0.120 0.000 2.835 716 S HA 0.251 4.721 4.470 -0.000 0.000 0.248 716 S C -0.609 173.987 174.600 -0.007 0.000 1.070 716 S CA -0.597 57.605 58.200 0.002 0.000 1.090 716 S CB -0.496 62.562 63.200 -0.238 0.000 0.978 716 S HN 0.247 nan 8.310 nan 0.000 0.510 717 D N 1.429 121.832 120.400 0.006 0.000 2.705 717 D HA -0.055 4.585 4.640 -0.000 0.000 0.240 717 D C 1.188 177.479 176.300 -0.016 0.000 1.137 717 D CA 1.713 55.713 54.000 -0.001 0.000 0.677 717 D CB -1.505 39.304 40.800 0.016 0.000 1.049 717 D HN 1.077 nan 8.370 nan 0.000 0.427 718 G N -0.022 108.759 108.800 -0.031 0.000 2.212 718 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.266 718 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.266 718 G C 0.065 174.942 174.900 -0.038 0.000 0.978 718 G CA 0.162 45.242 45.100 -0.034 0.000 0.632 718 G HN 0.609 nan 8.290 nan 0.000 0.537 719 D N 0.751 121.122 120.400 -0.049 0.000 2.374 719 D HA 0.354 4.994 4.640 -0.000 0.000 0.240 719 D C 1.525 177.755 176.300 -0.117 0.000 1.229 719 D CA -0.212 53.755 54.000 -0.056 0.000 0.895 719 D CB 0.344 41.112 40.800 -0.053 0.000 1.046 719 D HN 0.339 nan 8.370 nan 0.000 0.498 720 K N 1.975 122.304 120.400 -0.118 0.000 2.283 720 K HA -0.090 4.229 4.320 -0.000 0.000 0.202 720 K C 0.877 177.249 176.600 -0.381 0.000 1.048 720 K CA 0.720 56.859 56.287 -0.247 0.000 0.948 720 K CB 0.183 32.492 32.500 -0.319 0.000 0.742 720 K HN 0.595 nan 8.250 nan 0.000 0.458 721 H N -0.874 118.130 119.070 -0.111 0.000 2.529 721 H HA 0.196 4.752 4.556 -0.000 0.000 0.277 721 H C 1.650 176.868 175.328 -0.185 0.000 1.004 721 H CA 0.307 56.282 56.048 -0.122 0.000 1.167 721 H CB 0.498 30.208 29.762 -0.088 0.000 1.445 721 H HN 0.167 nan 8.280 nan 0.000 0.554 722 A N 1.052 123.711 122.820 -0.269 0.000 1.948 722 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 722 A C 1.012 178.291 177.584 -0.509 0.000 1.177 722 A CA 1.306 53.054 52.037 -0.482 0.000 0.636 722 A CB -0.622 17.763 19.000 -1.025 0.000 0.815 722 A HN 0.187 nan 8.150 nan 0.000 0.449 723 F N -0.235 119.731 119.950 0.026 0.000 2.837 723 F HA 0.247 4.774 4.527 -0.000 0.000 0.298 723 F C 1.031 176.815 175.800 -0.027 0.000 1.161 723 F CA -1.138 56.863 58.000 0.002 0.000 1.353 723 F CB -0.195 38.773 39.000 -0.052 0.000 0.951 723 F HN 0.059 nan 8.300 nan 0.000 0.508 724 D N 0.661 121.076 120.400 0.025 0.000 2.104 724 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 724 D C 2.007 178.227 176.300 -0.134 0.000 0.994 724 D CA 1.556 55.461 54.000 -0.159 0.000 0.830 724 D CB 0.029 40.724 40.800 -0.175 0.000 0.959 724 D HN 0.378 nan 8.370 nan 0.000 0.452 725 Q N -0.354 119.456 119.800 0.017 0.000 2.096 725 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 725 Q C 2.224 178.303 176.000 0.132 0.000 0.982 725 Q CA 1.062 56.922 55.803 0.094 0.000 0.850 725 Q CB -0.117 28.693 28.738 0.121 0.000 0.901 725 Q HN 0.340 nan 8.270 nan 0.000 0.422 726 M N 0.074 119.750 119.600 0.127 0.000 2.099 726 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 726 M C 1.539 177.937 176.300 0.164 0.000 1.067 726 M CA 1.193 56.570 55.300 0.128 0.000 1.124 726 M CB 0.092 32.752 32.600 0.100 0.000 1.353 726 M HN 0.203 nan 8.290 nan 0.000 0.410 727 L N 0.002 121.308 121.223 0.139 0.000 2.083 727 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 727 L C 2.480 179.483 176.870 0.223 0.000 1.083 727 L CA 1.859 56.785 54.840 0.142 0.000 0.752 727 L CB -1.847 40.271 42.059 0.098 0.000 0.899 727 L HN 0.376 nan 8.230 nan 0.000 0.433 728 H N -1.210 117.926 119.070 0.109 0.000 2.428 728 H HA -0.007 4.550 4.556 0.000 0.000 0.296 728 H C 2.439 177.828 175.328 0.103 0.000 1.062 728 H CA 1.166 57.271 56.048 0.095 0.000 1.350 728 H CB -0.159 29.659 29.762 0.094 0.000 1.403 728 H HN 0.409 nan 8.280 nan 0.000 0.533 729 S N 0.562 116.417 115.700 0.258 0.000 2.406 729 S HA -0.074 4.396 4.470 -0.000 0.000 0.228 729 S C 1.865 176.590 174.600 0.209 0.000 1.020 729 S CA 1.098 59.433 58.200 0.225 0.000 0.965 729 S CB -0.497 62.850 63.200 0.246 0.000 0.798 729 S HN 0.565 nan 8.310 nan 0.000 0.488 730 I N -1.331 119.358 120.570 0.198 0.000 3.928 730 I HA 0.509 4.679 4.170 -0.000 0.000 0.335 730 I C 0.881 177.055 176.117 0.095 0.000 1.325 730 I CA -0.350 61.042 61.300 0.153 0.000 1.107 730 I CB -0.357 37.723 38.000 0.134 0.000 1.014 730 I HN 0.292 nan 8.210 nan 0.000 0.400 731 G N 1.360 110.218 108.800 0.097 0.000 2.890 731 G HA2 0.202 4.162 3.960 -0.000 0.000 0.189 731 G HA3 0.202 4.162 3.960 -0.000 0.000 0.189 731 G C 0.383 175.291 174.900 0.013 0.000 1.342 731 G CA -0.256 44.877 45.100 0.054 0.000 1.026 731 G HN 0.008 nan 8.290 nan 0.000 0.579 732 K N -0.509 119.886 120.400 -0.009 0.000 2.097 732 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 732 K C 2.577 179.149 176.600 -0.047 0.000 1.049 732 K CA 1.770 58.036 56.287 -0.036 0.000 0.933 732 K CB -0.207 32.271 32.500 -0.038 0.000 0.717 732 K HN 0.393 nan 8.250 nan 0.000 0.442 733 Q N -1.284 118.470 119.800 -0.077 0.000 2.020 733 Q HA 0.089 4.429 4.340 -0.000 0.000 0.198 733 Q C 2.176 178.166 176.000 -0.018 0.000 0.974 733 Q CA 1.783 57.524 55.803 -0.103 0.000 0.829 733 Q CB -0.725 27.841 28.738 -0.286 0.000 0.894 733 Q HN 0.409 nan 8.270 nan 0.000 0.433 734 G N -1.086 107.736 108.800 0.036 0.000 2.623 734 G HA2 0.242 4.202 3.960 -0.000 0.000 0.214 734 G HA3 0.242 4.202 3.960 -0.000 0.000 0.214 734 G C 0.963 175.904 174.900 0.068 0.000 1.138 734 G CA 0.306 45.454 45.100 0.079 0.000 0.794 734 G HN 0.579 nan 8.290 nan 0.000 0.535 735 G N 0.320 109.147 108.800 0.045 0.000 2.155 735 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 735 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 735 G C 0.329 175.287 174.900 0.097 0.000 0.983 735 G CA 0.947 46.068 45.100 0.035 0.000 0.676 735 G HN 1.032 nan 8.290 nan 0.000 0.528 736 D N -0.896 119.582 120.400 0.130 0.000 2.735 736 D HA -0.152 4.488 4.640 -0.000 0.000 0.235 736 D C 0.012 176.424 176.300 0.187 0.000 1.175 736 D CA 1.116 55.237 54.000 0.202 0.000 0.683 736 D CB -0.271 40.667 40.800 0.229 0.000 1.008 736 D HN 0.406 nan 8.370 nan 0.000 0.416 737 P HA -0.170 nan 4.420 nan 0.000 0.221 737 P C 0.874 177.980 177.300 -0.324 0.000 1.145 737 P CA 1.207 64.200 63.100 -0.178 0.000 0.795 737 P CB -0.125 31.364 31.700 -0.352 0.000 0.775 738 Y N -0.799 119.547 120.300 0.077 0.000 2.555 738 Y HA 0.307 4.858 4.550 0.001 0.000 0.259 738 Y C 1.234 177.113 175.900 -0.036 0.000 1.179 738 Y CA -0.471 57.655 58.100 0.043 0.000 1.230 738 Y CB -0.209 38.337 38.460 0.142 0.000 1.146 738 Y HN -0.291 nan 8.280 nan 0.000 0.526 739 L N -0.560 120.671 121.223 0.013 0.000 3.601 739 L HA -0.316 4.024 4.340 -0.000 0.000 0.469 739 L C 0.864 177.705 176.870 -0.048 0.000 1.294 739 L CA -0.209 54.543 54.840 -0.147 0.000 0.829 739 L CB -2.239 39.573 42.059 -0.411 0.000 1.628 739 L HN 0.128 nan 8.230 nan 0.000 0.868 740 V N -0.629 119.293 119.914 0.013 0.000 2.343 740 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 740 V C 2.442 178.567 176.094 0.052 0.000 1.051 740 V CA 2.402 64.688 62.300 -0.023 0.000 1.036 740 V CB -0.249 31.483 31.823 -0.152 0.000 0.654 740 V HN 0.530 nan 8.190 nan 0.000 0.451 741 M N -0.002 119.630 119.600 0.053 0.000 2.132 741 M HA -0.042 4.437 4.480 -0.000 0.000 0.263 741 M C 2.397 178.704 176.300 0.013 0.000 1.065 741 M CA 2.118 57.466 55.300 0.080 0.000 1.122 741 M CB -1.477 31.172 32.600 0.082 0.000 1.365 741 M HN 0.391 nan 8.290 nan 0.000 0.411 742 A N -0.334 122.300 122.820 -0.309 0.000 2.067 742 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 742 A C 1.655 179.159 177.584 -0.134 0.000 1.158 742 A CA 1.607 53.127 52.037 -0.862 0.000 0.661 742 A CB -0.391 17.900 19.000 -1.182 0.000 0.801 742 A HN 0.399 nan 8.150 nan 0.000 0.452 743 D N -2.472 117.976 120.400 0.079 0.000 2.441 743 D HA 0.126 4.765 4.640 -0.000 0.000 0.210 743 D C 1.161 177.625 176.300 0.274 0.000 1.102 743 D CA -0.171 53.965 54.000 0.228 0.000 0.840 743 D CB -0.070 40.862 40.800 0.221 0.000 0.990 743 D HN 0.370 nan 8.370 nan 0.000 0.505 744 F N 2.398 122.434 119.950 0.143 0.000 2.069 744 F HA -0.230 4.297 4.527 -0.001 0.000 0.298 744 F C 2.091 177.993 175.800 0.170 0.000 1.113 744 F CA 1.964 60.061 58.000 0.162 0.000 1.214 744 F CB -0.099 38.985 39.000 0.140 0.000 0.978 744 F HN -0.038 nan 8.300 nan 0.000 0.474 745 A N 0.262 123.164 122.820 0.136 0.000 1.930 745 A HA 0.017 4.336 4.320 -0.000 0.000 0.217 745 A C 2.380 179.931 177.584 -0.054 0.000 1.175 745 A CA 1.564 53.608 52.037 0.011 0.000 0.627 745 A CB -1.544 17.590 19.000 0.224 0.000 0.815 745 A HN 0.534 nan 8.150 nan 0.000 0.443 746 A N -1.481 121.376 122.820 0.060 0.000 1.933 746 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 746 A C 2.135 179.671 177.584 -0.080 0.000 1.175 746 A CA 1.689 53.778 52.037 0.086 0.000 0.628 746 A CB -0.743 18.394 19.000 0.228 0.000 0.814 746 A HN 0.674 nan 8.150 nan 0.000 0.444 747 Y N 0.815 120.838 120.300 -0.461 0.000 2.163 747 Y HA -0.143 4.408 4.550 0.000 0.000 0.288 747 Y C 2.372 177.807 175.900 -0.775 0.000 1.136 747 Y CA 1.600 59.092 58.100 -1.015 0.000 1.147 747 Y CB -0.526 37.423 38.460 -0.850 0.000 0.987 747 Y HN 0.066 nan 8.280 nan 0.000 0.509 748 V N 0.476 119.948 119.914 -0.735 0.000 2.407 748 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 748 V C 2.323 178.174 176.094 -0.405 0.000 1.055 748 V CA 2.119 64.027 62.300 -0.653 0.000 1.049 748 V CB -0.720 30.796 31.823 -0.512 0.000 0.662 748 V HN 0.297 nan 8.190 nan 0.000 0.455 749 E N 1.118 121.148 120.200 -0.284 0.000 2.047 749 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 749 E C 2.161 178.675 176.600 -0.143 0.000 0.987 749 E CA 1.677 57.989 56.400 -0.146 0.000 0.799 749 E CB -0.547 29.118 29.700 -0.058 0.000 0.752 749 E HN 0.471 nan 8.360 nan 0.000 0.449 750 A N 0.678 123.381 122.820 -0.196 0.000 1.902 750 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 750 A C 2.144 179.558 177.584 -0.284 0.000 1.181 750 A CA 1.579 53.545 52.037 -0.119 0.000 0.623 750 A CB -0.573 18.386 19.000 -0.067 0.000 0.818 750 A HN 0.252 nan 8.150 nan 0.000 0.443 751 Q N -0.131 119.364 119.800 -0.509 0.000 2.170 751 Q HA -0.160 4.180 4.340 -0.000 0.000 0.203 751 Q C 1.924 177.759 176.000 -0.275 0.000 0.976 751 Q CA 1.607 57.102 55.803 -0.514 0.000 0.858 751 Q CB -0.268 27.964 28.738 -0.844 0.000 0.907 751 Q HN 0.720 nan 8.270 nan 0.000 0.433 752 K N 0.497 120.782 120.400 -0.191 0.000 2.057 752 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 752 K C 2.131 178.710 176.600 -0.035 0.000 1.050 752 K CA 1.000 57.238 56.287 -0.081 0.000 0.935 752 K CB 0.029 32.498 32.500 -0.051 0.000 0.715 752 K HN 0.225 nan 8.250 nan 0.000 0.439 753 Q N 0.202 120.000 119.800 -0.005 0.000 2.226 753 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 753 Q C 1.982 178.079 176.000 0.163 0.000 0.975 753 Q CA 0.954 56.844 55.803 0.145 0.000 0.866 753 Q CB 0.055 28.976 28.738 0.305 0.000 0.915 753 Q HN 0.095 nan 8.270 nan 0.000 0.440 754 V N 1.154 120.961 119.914 -0.178 0.000 2.358 754 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 754 V C 1.267 177.400 176.094 0.066 0.000 1.047 754 V CA 2.094 64.240 62.300 -0.257 0.000 1.035 754 V CB -0.461 31.048 31.823 -0.523 0.000 0.658 754 V HN 0.336 nan 8.190 nan 0.000 0.452 755 D N -0.025 120.371 120.400 -0.006 0.000 2.133 755 D HA -0.168 4.472 4.640 -0.000 0.000 0.195 755 D C 2.079 178.443 176.300 0.107 0.000 0.997 755 D CA 1.424 55.438 54.000 0.024 0.000 0.840 755 D CB -0.380 40.417 40.800 -0.004 0.000 0.947 755 D HN 0.285 nan 8.370 nan 0.000 0.452 756 V N 0.367 120.356 119.914 0.126 0.000 2.307 756 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 756 V C 2.288 178.504 176.094 0.203 0.000 1.045 756 V CA 1.086 63.469 62.300 0.139 0.000 1.024 756 V CB -0.404 31.496 31.823 0.128 0.000 0.651 756 V HN 0.173 nan 8.190 nan 0.000 0.449 757 L N -0.966 120.455 121.223 0.330 0.000 2.093 757 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 757 L C 2.241 179.394 176.870 0.473 0.000 1.085 757 L CA 1.927 57.030 54.840 0.439 0.000 0.755 757 L CB -0.732 41.704 42.059 0.629 0.000 0.904 757 L HN 0.431 nan 8.230 nan 0.000 0.435 758 Y N -0.025 120.413 120.300 0.230 0.000 2.293 758 Y HA -0.172 4.378 4.550 -0.000 0.000 0.291 758 Y C 2.586 178.403 175.900 -0.137 0.000 1.137 758 Y CA 1.429 59.406 58.100 -0.205 0.000 1.202 758 Y CB -0.018 38.087 38.460 -0.592 0.000 0.990 758 Y HN 0.107 nan 8.280 nan 0.000 0.537 759 R N -0.323 120.205 120.500 0.047 0.000 2.148 759 R HA -0.122 4.218 4.340 -0.000 0.000 0.227 759 R C 0.147 176.430 176.300 -0.028 0.000 1.103 759 R CA 1.150 57.250 56.100 0.000 0.000 0.983 759 R CB -0.269 30.057 30.300 0.042 0.000 0.874 759 R HN 0.177 nan 8.270 nan 0.000 0.451 760 D N 0.632 121.042 120.400 0.017 0.000 2.479 760 D HA 0.017 4.657 4.640 -0.000 0.000 0.218 760 D C 0.663 176.977 176.300 0.023 0.000 1.131 760 D CA -0.028 53.987 54.000 0.024 0.000 0.916 760 D CB 0.969 41.806 40.800 0.062 0.000 1.022 760 D HN -0.100 nan 8.370 nan 0.000 0.515 761 Q N 2.019 121.787 119.800 -0.053 0.000 2.230 761 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 761 Q C 1.437 177.454 176.000 0.029 0.000 0.963 761 Q CA 0.682 56.438 55.803 -0.078 0.000 0.866 761 Q CB 0.178 28.815 28.738 -0.169 0.000 0.931 761 Q HN 0.703 nan 8.270 nan 0.000 0.452 762 E N 0.118 120.335 120.200 0.027 0.000 2.051 762 E HA -0.165 4.184 4.350 -0.000 0.000 0.192 762 E C 1.736 178.370 176.600 0.058 0.000 0.991 762 E CA 1.096 57.520 56.400 0.040 0.000 0.799 762 E CB 0.085 29.799 29.700 0.024 0.000 0.748 762 E HN 0.274 nan 8.360 nan 0.000 0.449 763 A N 1.495 124.358 122.820 0.071 0.000 1.929 763 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 763 A C 1.992 179.634 177.584 0.097 0.000 1.176 763 A CA 1.049 53.126 52.037 0.068 0.000 0.628 763 A CB -1.073 17.971 19.000 0.073 0.000 0.816 763 A HN 0.702 nan 8.150 nan 0.000 0.444 764 W N 1.237 122.527 121.300 -0.016 0.000 2.354 764 W HA -0.143 4.518 4.660 0.000 0.000 0.315 764 W C 1.774 178.298 176.519 0.008 0.000 1.206 764 W CA 2.284 59.634 57.345 0.009 0.000 1.290 764 W CB -0.861 28.568 29.460 -0.051 0.000 1.152 764 W HN 0.351 nan 8.180 nan 0.000 0.489 765 T N 0.978 115.674 114.554 0.237 0.000 2.746 765 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 765 T C 1.889 176.557 174.700 -0.052 0.000 1.039 765 T CA 1.770 63.951 62.100 0.135 0.000 1.142 765 T CB -0.320 68.636 68.868 0.146 0.000 0.866 765 T HN 0.107 nan 8.240 nan 0.000 0.444 766 R N 0.769 121.247 120.500 -0.036 0.000 2.097 766 R HA -0.138 4.202 4.340 -0.000 0.000 0.236 766 R C 2.735 178.954 176.300 -0.135 0.000 1.135 766 R CA 1.728 57.781 56.100 -0.078 0.000 0.934 766 R CB -0.581 29.690 30.300 -0.048 0.000 0.846 766 R HN 0.391 nan 8.270 nan 0.000 0.431 767 A N 0.363 123.087 122.820 -0.159 0.000 1.940 767 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 767 A C 2.290 179.741 177.584 -0.222 0.000 1.176 767 A CA 1.849 53.759 52.037 -0.212 0.000 0.631 767 A CB -0.754 18.072 19.000 -0.292 0.000 0.814 767 A HN 0.511 nan 8.150 nan 0.000 0.446 768 A N -0.186 122.490 122.820 -0.242 0.000 1.873 768 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 768 A C 2.107 179.608 177.584 -0.138 0.000 1.186 768 A CA 1.486 53.442 52.037 -0.135 0.000 0.616 768 A CB -0.582 18.440 19.000 0.037 0.000 0.823 768 A HN 0.479 nan 8.150 nan 0.000 0.442 769 I N -0.273 120.091 120.570 -0.342 0.000 2.286 769 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 769 I C 2.212 178.235 176.117 -0.157 0.000 1.115 769 I CA 1.004 62.057 61.300 -0.412 0.000 1.392 769 I CB -0.184 37.588 38.000 -0.380 0.000 1.065 769 I HN 0.293 nan 8.210 nan 0.000 0.418 770 L N -0.097 121.047 121.223 -0.132 0.000 2.156 770 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 770 L C 2.244 179.085 176.870 -0.049 0.000 1.095 770 L CA 0.941 55.729 54.840 -0.086 0.000 0.770 770 L CB -0.722 41.282 42.059 -0.092 0.000 0.914 770 L HN 0.323 nan 8.230 nan 0.000 0.439 771 N N -0.268 118.403 118.700 -0.048 0.000 2.043 771 N HA -0.176 4.564 4.740 -0.000 0.000 0.193 771 N C 1.721 177.255 175.510 0.039 0.000 1.037 771 N CA 2.116 55.162 53.050 -0.006 0.000 0.851 771 N CB -0.202 38.274 38.487 -0.018 0.000 1.027 771 N HN 0.296 nan 8.380 nan 0.000 0.422 772 T N 1.413 115.999 114.554 0.053 0.000 2.635 772 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 772 T C 2.012 176.736 174.700 0.039 0.000 1.040 772 T CA 1.674 63.818 62.100 0.073 0.000 1.156 772 T CB -0.393 68.557 68.868 0.137 0.000 0.863 772 T HN 0.377 nan 8.240 nan 0.000 0.430 773 A N 1.048 123.875 122.820 0.011 0.000 1.969 773 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 773 A C 2.249 179.837 177.584 0.008 0.000 1.169 773 A CA 1.181 53.216 52.037 -0.003 0.000 0.635 773 A CB -0.311 18.674 19.000 -0.026 0.000 0.810 773 A HN 0.416 nan 8.150 nan 0.000 0.445 774 R N -2.087 118.426 120.500 0.021 0.000 2.362 774 R HA 0.162 4.502 4.340 -0.000 0.000 0.227 774 R C 0.450 176.786 176.300 0.061 0.000 0.905 774 R CA 0.148 56.262 56.100 0.024 0.000 1.067 774 R CB -0.043 30.265 30.300 0.013 0.000 1.078 774 R HN 0.464 nan 8.270 nan 0.000 0.516 775 C N 0.045 119.414 119.300 0.115 0.000 2.884 775 C HA 0.213 4.673 4.460 -0.000 0.000 0.287 775 C C 2.167 177.254 174.990 0.162 0.000 1.310 775 C CA -0.508 58.669 59.018 0.265 0.000 1.725 775 C CB -0.352 27.606 27.740 0.364 0.000 2.060 775 C HN 0.662 nan 8.230 nan 0.000 0.618 776 G N 1.995 110.817 108.800 0.038 0.000 2.532 776 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.222 776 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.222 776 G C 1.543 176.395 174.900 -0.080 0.000 1.102 776 G CA 1.402 46.509 45.100 0.011 0.000 0.742 776 G HN 0.717 nan 8.290 nan 0.000 0.577 777 M N -1.823 117.606 119.600 -0.285 0.000 2.557 777 M HA 0.339 4.819 4.480 -0.000 0.000 0.259 777 M C 1.182 177.208 176.300 -0.457 0.000 1.086 777 M CA 1.017 56.064 55.300 -0.421 0.000 1.096 777 M CB -0.170 32.079 32.600 -0.584 0.000 1.424 777 M HN -0.007 nan 8.290 nan 0.000 0.488 778 F N 1.006 120.984 119.950 0.047 0.000 2.773 778 F HA 0.306 4.832 4.527 -0.001 0.000 0.304 778 F C 1.358 177.209 175.800 0.085 0.000 1.129 778 F CA -0.487 57.548 58.000 0.060 0.000 1.378 778 F CB -0.673 38.354 39.000 0.045 0.000 1.095 778 F HN 0.148 nan 8.300 nan 0.000 0.565 779 S N 0.350 116.150 115.700 0.167 0.000 2.537 779 S HA 0.023 4.492 4.470 -0.000 0.000 0.286 779 S C 1.570 176.268 174.600 0.163 0.000 1.299 779 S CA 0.118 58.414 58.200 0.160 0.000 1.067 779 S CB 0.585 63.849 63.200 0.107 0.000 0.864 779 S HN 0.389 nan 8.310 nan 0.000 0.494 780 S N 3.413 119.239 115.700 0.209 0.000 2.469 780 S HA -0.110 4.360 4.470 -0.000 0.000 0.238 780 S C 1.051 175.716 174.600 0.109 0.000 0.998 780 S CA 0.995 59.345 58.200 0.250 0.000 0.957 780 S CB -0.402 63.025 63.200 0.379 0.000 0.764 780 S HN 0.795 nan 8.310 nan 0.000 0.514 781 D N 1.876 122.323 120.400 0.079 0.000 2.117 781 D HA -0.087 4.553 4.640 -0.000 0.000 0.197 781 D C 2.103 178.405 176.300 0.004 0.000 0.987 781 D CA 0.879 54.898 54.000 0.032 0.000 0.829 781 D CB -0.362 40.455 40.800 0.028 0.000 0.961 781 D HN 0.272 nan 8.370 nan 0.000 0.460 782 R N 0.927 121.433 120.500 0.008 0.000 2.081 782 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 782 R C 2.060 178.333 176.300 -0.044 0.000 1.131 782 R CA 1.014 57.101 56.100 -0.022 0.000 0.960 782 R CB -0.391 29.889 30.300 -0.033 0.000 0.856 782 R HN 0.060 nan 8.270 nan 0.000 0.436 783 S N 1.134 116.823 115.700 -0.019 0.000 2.359 783 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 783 S C 1.985 176.504 174.600 -0.135 0.000 1.035 783 S CA 1.286 59.454 58.200 -0.054 0.000 1.018 783 S CB -0.190 63.037 63.200 0.045 0.000 0.876 783 S HN 0.235 nan 8.310 nan 0.000 0.448 784 I N 1.320 121.785 120.570 -0.176 0.000 2.226 784 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 784 I C 2.456 178.524 176.117 -0.080 0.000 1.100 784 I CA 1.305 62.522 61.300 -0.139 0.000 1.374 784 I CB -1.124 36.848 38.000 -0.048 0.000 1.057 784 I HN 0.139 nan 8.210 nan 0.000 0.413 785 R N 1.296 121.759 120.500 -0.062 0.000 2.073 785 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 785 R C 1.896 178.135 176.300 -0.102 0.000 1.134 785 R CA 1.282 57.351 56.100 -0.052 0.000 0.952 785 R CB -0.829 29.447 30.300 -0.041 0.000 0.850 785 R HN 0.328 nan 8.270 nan 0.000 0.433 786 D N -0.884 119.427 120.400 -0.148 0.000 2.092 786 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 786 D C 1.882 177.976 176.300 -0.345 0.000 0.994 786 D CA 1.388 55.254 54.000 -0.224 0.000 0.828 786 D CB -0.389 40.257 40.800 -0.256 0.000 0.963 786 D HN 0.244 nan 8.370 nan 0.000 0.450 787 Y N 1.213 121.192 120.300 -0.536 0.000 2.224 787 Y HA -0.148 4.403 4.550 0.001 0.000 0.289 787 Y C 2.626 178.074 175.900 -0.753 0.000 1.146 787 Y CA 1.120 58.657 58.100 -0.938 0.000 1.182 787 Y CB -0.242 37.113 38.460 -1.842 0.000 0.983 787 Y HN 0.059 nan 8.280 nan 0.000 0.524 788 Q N -0.713 118.944 119.800 -0.238 0.000 2.061 788 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 788 Q C 2.521 178.515 176.000 -0.010 0.000 0.984 788 Q CA 1.622 57.440 55.803 0.026 0.000 0.846 788 Q CB -0.334 28.457 28.738 0.088 0.000 0.902 788 Q HN 0.528 nan 8.270 nan 0.000 0.421 789 A N 0.606 123.384 122.820 -0.070 0.000 1.935 789 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 789 A C 1.896 179.436 177.584 -0.074 0.000 1.178 789 A CA 0.798 52.804 52.037 -0.052 0.000 0.640 789 A CB -0.079 18.889 19.000 -0.053 0.000 0.825 789 A HN 0.164 nan 8.150 nan 0.000 0.447 790 R N -1.219 119.186 120.500 -0.157 0.000 2.140 790 R HA 0.319 4.659 4.340 -0.000 0.000 0.213 790 R C 1.172 177.321 176.300 -0.251 0.000 1.059 790 R CA 1.245 57.222 56.100 -0.205 0.000 1.000 790 R CB 0.006 30.126 30.300 -0.301 0.000 0.910 790 R HN 0.543 nan 8.270 nan 0.000 0.455 791 I N -2.667 117.785 120.570 -0.196 0.000 3.685 791 I HA 0.021 4.191 4.170 -0.000 0.000 0.258 791 I C 1.330 177.598 176.117 0.252 0.000 1.135 791 I CA -0.235 61.063 61.300 -0.003 0.000 1.436 791 I CB -0.238 37.668 38.000 -0.155 0.000 1.670 791 I HN 0.028 nan 8.210 nan 0.000 0.424 792 W N 2.120 123.500 121.300 0.133 0.000 2.379 792 W HA -0.070 4.590 4.660 0.001 0.000 0.307 792 W C 2.092 178.629 176.519 0.030 0.000 1.200 792 W CA 0.755 58.164 57.345 0.107 0.000 1.297 792 W CB -0.789 28.721 29.460 0.083 0.000 1.140 792 W HN 0.229 nan 8.180 nan 0.000 0.507 793 Q N -0.755 119.174 119.800 0.215 0.000 2.282 793 Q HA 0.309 4.649 4.340 -0.000 0.000 0.206 793 Q C 0.748 176.768 176.000 0.033 0.000 0.878 793 Q CA 0.105 55.966 55.803 0.097 0.000 0.944 793 Q CB -0.475 28.316 28.738 0.088 0.000 1.100 793 Q HN 0.015 nan 8.270 nan 0.000 0.509 794 A N 1.694 124.533 122.820 0.031 0.000 2.429 794 A HA 0.218 4.538 4.320 -0.000 0.000 0.242 794 A C 0.379 177.939 177.584 -0.040 0.000 1.088 794 A CA -0.221 51.818 52.037 0.003 0.000 0.784 794 A CB 0.205 19.220 19.000 0.026 0.000 1.038 794 A HN 0.159 nan 8.150 nan 0.000 0.501 795 K N 0.779 121.160 120.400 -0.031 0.000 2.218 795 K HA 0.327 4.647 4.320 -0.000 0.000 0.276 795 K C 0.088 176.644 176.600 -0.074 0.000 1.022 795 K CA -0.179 56.077 56.287 -0.053 0.000 0.946 795 K CB 0.631 33.116 32.500 -0.026 0.000 1.000 795 K HN 0.684 nan 8.250 nan 0.000 0.468 796 R N 0.000 120.428 120.500 -0.120 0.000 2.786 796 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 796 R CA 0.000 56.019 56.100 -0.136 0.000 0.921 796 R CB 0.000 30.146 30.300 -0.257 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535