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 1l5w_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 0.000 174.571 174.600 -0.049 0.000 1.055 1 S CA 0.000 58.167 58.200 -0.055 0.000 1.107 1 S CB 0.000 63.182 63.200 -0.029 0.000 0.593 2 Q N 1.487 121.255 119.800 -0.053 0.000 2.520 2 Q HA 0.115 4.453 4.340 -0.003 0.000 0.320 2 Q C -2.172 173.852 176.000 0.040 0.000 1.104 2 Q CA -0.471 55.305 55.803 -0.045 0.000 1.062 2 Q CB -0.211 28.498 28.738 -0.048 0.000 1.005 2 Q HN 0.392 nan 8.270 nan 0.000 0.390 3 P HA 0.046 nan 4.420 nan 0.000 0.269 3 P C -0.937 176.638 177.300 0.458 0.000 1.209 3 P CA 0.043 63.272 63.100 0.214 0.000 0.776 3 P CB 0.557 32.360 31.700 0.172 0.000 0.876 4 I N 2.857 123.649 120.570 0.369 0.000 2.336 4 I HA 0.266 4.434 4.170 -0.003 0.000 0.292 4 I C 0.233 176.410 176.117 0.100 0.000 0.991 4 I CA -0.537 60.925 61.300 0.270 0.000 1.227 4 I CB 0.224 38.291 38.000 0.112 0.000 1.366 4 I HN 0.235 nan 8.210 nan 0.000 0.466 5 F N 7.148 126.889 119.950 -0.349 0.000 2.429 5 F HA 0.346 4.871 4.527 -0.003 0.000 0.348 5 F C 0.269 175.802 175.800 -0.444 0.000 1.109 5 F CA 0.021 57.453 58.000 -0.948 0.000 1.232 5 F CB 0.445 38.688 39.000 -1.262 0.000 1.157 5 F HN 0.500 nan 8.300 nan 0.000 0.564 6 N N 4.747 122.705 118.700 -1.236 0.000 2.480 6 N HA 0.073 4.811 4.740 -0.003 0.000 0.289 6 N C -0.079 174.863 175.510 -0.947 0.000 1.073 6 N CA -0.316 52.286 53.050 -0.747 0.000 0.885 6 N CB 1.451 39.694 38.487 -0.407 0.000 1.421 6 N HN 0.870 nan 8.380 nan 0.000 0.503 7 D N 3.154 123.258 120.400 -0.494 0.000 2.123 7 D HA -0.178 4.460 4.640 -0.003 0.000 0.196 7 D C 1.753 178.017 176.300 -0.060 0.000 0.992 7 D CA 1.546 55.454 54.000 -0.153 0.000 0.833 7 D CB 0.410 41.281 40.800 0.119 0.000 0.954 7 D HN 0.606 nan 8.370 nan 0.000 0.455 8 K N 0.100 120.443 120.400 -0.094 0.000 2.026 8 K HA -0.242 4.076 4.320 -0.003 0.000 0.208 8 K C 2.255 178.801 176.600 -0.091 0.000 1.048 8 K CA 1.362 57.616 56.287 -0.056 0.000 0.929 8 K CB -0.226 32.237 32.500 -0.061 0.000 0.713 8 K HN 0.227 nan 8.250 nan 0.000 0.439 9 Q N -0.304 119.399 119.800 -0.160 0.000 2.135 9 Q HA -0.220 4.118 4.340 -0.003 0.000 0.204 9 Q C 1.969 177.885 176.000 -0.139 0.000 0.981 9 Q CA 1.736 57.441 55.803 -0.165 0.000 0.856 9 Q CB -0.204 28.412 28.738 -0.203 0.000 0.902 9 Q HN 0.413 nan 8.270 nan 0.000 0.425 10 F N 1.067 120.825 119.950 -0.320 0.000 2.146 10 F HA -0.168 4.357 4.527 -0.003 0.000 0.298 10 F C 2.215 177.979 175.800 -0.060 0.000 1.096 10 F CA 1.341 59.226 58.000 -0.191 0.000 1.275 10 F CB -0.119 38.785 39.000 -0.160 0.000 1.008 10 F HN 0.093 nan 8.300 nan 0.000 0.480 11 Q N 0.655 120.421 119.800 -0.057 0.000 2.084 11 Q HA -0.209 4.129 4.340 -0.003 0.000 0.202 11 Q C 2.149 178.053 176.000 -0.160 0.000 0.978 11 Q CA 1.982 57.747 55.803 -0.063 0.000 0.844 11 Q CB -0.676 28.132 28.738 0.117 0.000 0.898 11 Q HN 0.590 nan 8.270 nan 0.000 0.426 12 E N 0.773 120.883 120.200 -0.150 0.000 2.077 12 E HA -0.139 4.209 4.350 -0.003 0.000 0.193 12 E C 1.968 178.400 176.600 -0.281 0.000 0.989 12 E CA 1.008 57.296 56.400 -0.187 0.000 0.800 12 E CB -0.103 29.508 29.700 -0.148 0.000 0.746 12 E HN 0.351 nan 8.360 nan 0.000 0.452 13 A N 1.076 123.720 122.820 -0.293 0.000 1.902 13 A HA -0.173 4.145 4.320 -0.003 0.000 0.217 13 A C 2.150 179.473 177.584 -0.434 0.000 1.181 13 A CA 1.024 52.867 52.037 -0.323 0.000 0.623 13 A CB -0.554 18.295 19.000 -0.252 0.000 0.818 13 A HN 0.227 nan 8.150 nan 0.000 0.443 14 L N 0.962 121.863 121.223 -0.538 0.000 2.042 14 L HA -0.172 4.166 4.340 -0.003 0.000 0.210 14 L C 2.788 179.333 176.870 -0.542 0.000 1.076 14 L CA 2.796 57.323 54.840 -0.521 0.000 0.749 14 L CB -0.643 41.078 42.059 -0.564 0.000 0.893 14 L HN 0.533 nan 8.230 nan 0.000 0.432 15 S N -1.121 114.229 115.700 -0.583 0.000 2.402 15 S HA -0.182 4.286 4.470 -0.003 0.000 0.229 15 S C 2.095 175.946 174.600 -1.247 0.000 1.021 15 S CA 0.763 58.248 58.200 -1.191 0.000 0.974 15 S CB -0.624 62.150 63.200 -0.709 0.000 0.800 15 S HN 0.512 nan 8.310 nan 0.000 0.484 16 R N 0.789 120.847 120.500 -0.736 0.000 2.152 16 R HA 0.000 4.338 4.340 -0.003 0.000 0.232 16 R C 2.489 178.401 176.300 -0.647 0.000 1.117 16 R CA 1.371 57.108 56.100 -0.605 0.000 0.981 16 R CB -0.221 29.832 30.300 -0.412 0.000 0.870 16 R HN 0.495 nan 8.270 nan 0.000 0.451 17 Q N -0.204 119.188 119.800 -0.681 0.000 2.062 17 Q HA -0.135 4.203 4.340 -0.003 0.000 0.196 17 Q C 2.068 177.504 176.000 -0.941 0.000 0.967 17 Q CA 1.306 56.670 55.803 -0.732 0.000 0.832 17 Q CB -0.391 28.016 28.738 -0.552 0.000 0.899 17 Q HN 0.613 nan 8.270 nan 0.000 0.442 18 W N 1.103 122.039 121.300 -0.606 0.000 2.402 18 W HA -0.045 4.613 4.660 -0.003 0.000 0.286 18 W C 1.350 177.656 176.519 -0.354 0.000 1.221 18 W CA 0.499 57.569 57.345 -0.459 0.000 1.257 18 W CB -0.711 28.561 29.460 -0.313 0.000 1.120 18 W HN 0.191 nan 8.180 nan 0.000 0.551 19 Q N 1.051 120.522 119.800 -0.548 0.000 2.096 19 Q HA -0.213 4.125 4.340 -0.003 0.000 0.204 19 Q C 2.442 178.277 176.000 -0.275 0.000 0.982 19 Q CA 2.232 57.813 55.803 -0.371 0.000 0.850 19 Q CB -0.421 27.979 28.738 -0.563 0.000 0.901 19 Q HN 0.271 nan 8.270 nan 0.000 0.422 20 R N -0.278 119.972 120.500 -0.416 0.000 2.237 20 R HA -0.142 4.196 4.340 -0.003 0.000 0.219 20 R C 0.829 177.022 176.300 -0.177 0.000 1.080 20 R CA 0.960 56.870 56.100 -0.318 0.000 0.995 20 R CB 0.134 30.207 30.300 -0.379 0.000 0.875 20 R HN 0.263 nan 8.270 nan 0.000 0.462 21 Y N -0.654 119.612 120.300 -0.056 0.000 2.490 21 Y HA 0.330 4.878 4.550 -0.003 0.000 0.281 21 Y C 1.511 177.407 175.900 -0.007 0.000 1.174 21 Y CA -0.023 58.058 58.100 -0.032 0.000 1.295 21 Y CB 0.110 38.552 38.460 -0.029 0.000 1.062 21 Y HN 0.270 nan 8.280 nan 0.000 0.522 22 G N 0.487 109.347 108.800 0.100 0.000 2.147 22 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.244 22 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.244 22 G C -0.107 174.861 174.900 0.115 0.000 1.005 22 G CA 0.177 45.326 45.100 0.082 0.000 0.713 22 G HN 0.289 nan 8.290 nan 0.000 0.515 23 L N -0.812 120.520 121.223 0.183 0.000 2.400 23 L HA 0.498 4.836 4.340 -0.003 0.000 0.264 23 L C 1.205 178.199 176.870 0.206 0.000 1.061 23 L CA -1.238 53.696 54.840 0.156 0.000 0.799 23 L CB 0.640 42.775 42.059 0.126 0.000 1.240 23 L HN -0.054 nan 8.230 nan 0.000 0.461 24 N N -0.127 118.602 118.700 0.049 0.000 2.353 24 N HA 0.019 4.757 4.740 -0.003 0.000 0.185 24 N C -0.071 175.289 175.510 -0.250 0.000 1.098 24 N CA 0.314 53.383 53.050 0.031 0.000 0.872 24 N CB 0.591 39.073 38.487 -0.008 0.000 0.970 24 N HN 0.696 nan 8.380 nan 0.000 0.467 25 S N -2.071 113.231 115.700 -0.664 0.000 2.578 25 S HA 0.572 5.040 4.470 -0.003 0.000 0.272 25 S C 0.426 174.198 174.600 -1.380 0.000 1.145 25 S CA -0.292 57.131 58.200 -1.294 0.000 0.835 25 S CB 1.102 63.962 63.200 -0.567 0.000 1.104 25 S HN -0.027 nan 8.310 nan 0.000 0.458 26 A N 1.415 123.268 122.820 -1.612 0.000 1.978 26 A HA 0.268 4.586 4.320 -0.003 0.000 0.220 26 A C 2.260 179.611 177.584 -0.389 0.000 1.170 26 A CA 2.050 53.456 52.037 -1.051 0.000 0.636 26 A CB -1.507 17.167 19.000 -0.543 0.000 0.810 26 A HN 1.786 nan 8.150 nan 0.000 0.448 27 A N -0.253 122.486 122.820 -0.134 0.000 2.125 27 A HA -0.121 4.197 4.320 -0.003 0.000 0.219 27 A C 1.732 179.346 177.584 0.051 0.000 1.156 27 A CA 1.374 53.476 52.037 0.108 0.000 0.671 27 A CB -0.427 18.614 19.000 0.068 0.000 0.794 27 A HN 0.666 nan 8.150 nan 0.000 0.459 28 E N -0.716 119.425 120.200 -0.099 0.000 2.482 28 E HA 0.054 4.402 4.350 -0.003 0.000 0.196 28 E C 0.233 176.813 176.600 -0.034 0.000 1.047 28 E CA -0.159 56.208 56.400 -0.056 0.000 0.869 28 E CB -0.081 29.567 29.700 -0.086 0.000 0.836 28 E HN 0.637 nan 8.360 nan 0.000 0.520 29 M N 1.499 121.037 119.600 -0.104 0.000 2.243 29 M HA 0.029 4.507 4.480 -0.003 0.000 0.341 29 M C 0.764 177.113 176.300 0.082 0.000 1.130 29 M CA 0.055 55.269 55.300 -0.142 0.000 1.162 29 M CB 0.809 33.039 32.600 -0.617 0.000 1.497 29 M HN -0.025 nan 8.290 nan 0.000 0.456 30 T N -0.276 114.312 114.554 0.058 0.000 2.788 30 T HA 0.238 4.586 4.350 -0.003 0.000 0.287 30 T C -2.127 172.728 174.700 0.258 0.000 1.007 30 T CA -1.566 60.613 62.100 0.131 0.000 1.005 30 T CB 0.481 69.381 68.868 0.053 0.000 1.012 30 T HN 0.383 nan 8.240 nan 0.000 0.530 31 P HA -0.108 nan 4.420 nan 0.000 0.215 31 P C 1.726 179.202 177.300 0.293 0.000 1.157 31 P CA 1.096 64.361 63.100 0.275 0.000 0.874 31 P CB 0.027 31.825 31.700 0.163 0.000 0.790 32 R N -0.119 120.504 120.500 0.203 0.000 2.081 32 R HA -0.163 4.175 4.340 -0.003 0.000 0.235 32 R C 2.327 178.769 176.300 0.237 0.000 1.131 32 R CA 1.575 57.814 56.100 0.232 0.000 0.960 32 R CB -0.514 29.862 30.300 0.127 0.000 0.856 32 R HN 0.202 nan 8.270 nan 0.000 0.436 33 Q N -0.940 118.903 119.800 0.071 0.000 2.135 33 Q HA -0.232 4.106 4.340 -0.003 0.000 0.204 33 Q C 1.774 177.819 176.000 0.075 0.000 0.981 33 Q CA 2.027 57.772 55.803 -0.097 0.000 0.856 33 Q CB -0.195 28.376 28.738 -0.278 0.000 0.902 33 Q HN 0.479 nan 8.270 nan 0.000 0.425 34 W N -0.560 120.804 121.300 0.107 0.000 2.358 34 W HA -0.211 4.447 4.660 -0.003 0.000 0.303 34 W C 2.051 178.647 176.519 0.129 0.000 1.208 34 W CA 0.776 58.188 57.345 0.112 0.000 1.274 34 W CB -0.415 29.108 29.460 0.105 0.000 1.138 34 W HN 0.336 nan 8.180 nan 0.000 0.515 35 W N 0.366 121.850 121.300 0.307 0.000 2.358 35 W HA -0.181 4.477 4.660 -0.003 0.000 0.303 35 W C 1.922 178.519 176.519 0.129 0.000 1.208 35 W CA 1.792 59.260 57.345 0.206 0.000 1.274 35 W CB -0.779 28.782 29.460 0.168 0.000 1.138 35 W HN -0.221 nan 8.180 nan 0.000 0.515 36 L N 0.547 121.695 121.223 -0.124 0.000 2.046 36 L HA -0.200 4.138 4.340 -0.003 0.000 0.208 36 L C 2.723 179.404 176.870 -0.316 0.000 1.077 36 L CA 1.600 56.188 54.840 -0.420 0.000 0.747 36 L CB -1.180 40.835 42.059 -0.072 0.000 0.896 36 L HN 0.144 nan 8.230 nan 0.000 0.432 37 A N -0.827 121.943 122.820 -0.083 0.000 1.897 37 A HA -0.118 4.200 4.320 -0.003 0.000 0.215 37 A C 2.276 179.747 177.584 -0.189 0.000 1.181 37 A CA 1.401 53.368 52.037 -0.117 0.000 0.620 37 A CB -0.702 18.245 19.000 -0.088 0.000 0.821 37 A HN 0.181 nan 8.150 nan 0.000 0.443 38 V N 0.061 119.932 119.914 -0.071 0.000 2.427 38 V HA -0.200 3.918 4.120 -0.003 0.000 0.248 38 V C 2.787 178.816 176.094 -0.108 0.000 1.051 38 V CA 2.294 64.619 62.300 0.041 0.000 1.048 38 V CB -0.635 31.336 31.823 0.247 0.000 0.666 38 V HN 0.562 nan 8.190 nan 0.000 0.456 39 S N -0.673 114.784 115.700 -0.405 0.000 2.368 39 S HA -0.175 4.293 4.470 -0.003 0.000 0.224 39 S C 1.932 176.036 174.600 -0.826 0.000 1.029 39 S CA 1.228 59.028 58.200 -0.667 0.000 0.988 39 S CB -0.247 62.308 63.200 -1.075 0.000 0.838 39 S HN 0.627 nan 8.310 nan 0.000 0.462 40 E N 1.424 121.245 120.200 -0.632 0.000 2.077 40 E HA -0.102 4.246 4.350 -0.003 0.000 0.193 40 E C 2.435 178.809 176.600 -0.377 0.000 0.989 40 E CA 1.019 57.113 56.400 -0.510 0.000 0.800 40 E CB -0.334 29.146 29.700 -0.368 0.000 0.746 40 E HN 0.485 nan 8.360 nan 0.000 0.452 41 A N 1.555 124.197 122.820 -0.297 0.000 1.892 41 A HA -0.193 4.125 4.320 -0.003 0.000 0.218 41 A C 2.309 179.864 177.584 -0.048 0.000 1.188 41 A CA 1.326 53.241 52.037 -0.204 0.000 0.631 41 A CB -0.803 18.026 19.000 -0.286 0.000 0.822 41 A HN 0.156 nan 8.150 nan 0.000 0.447 42 L N -1.018 120.211 121.223 0.011 0.000 2.141 42 L HA -0.149 4.189 4.340 -0.003 0.000 0.209 42 L C 3.067 179.964 176.870 0.046 0.000 1.094 42 L CA 0.867 55.834 54.840 0.212 0.000 0.763 42 L CB -0.506 41.756 42.059 0.338 0.000 0.908 42 L HN 0.449 nan 8.230 nan 0.000 0.437 43 A N -0.005 122.573 122.820 -0.404 0.000 1.902 43 A HA -0.214 4.104 4.320 -0.003 0.000 0.217 43 A C 2.168 179.729 177.584 -0.038 0.000 1.181 43 A CA 1.562 53.432 52.037 -0.279 0.000 0.623 43 A CB -0.392 18.286 19.000 -0.537 0.000 0.818 43 A HN 0.428 nan 8.150 nan 0.000 0.443 44 E N -0.600 119.548 120.200 -0.085 0.000 2.058 44 E HA -0.227 4.121 4.350 -0.003 0.000 0.194 44 E C 2.123 178.747 176.600 0.040 0.000 0.997 44 E CA 1.681 58.057 56.400 -0.039 0.000 0.801 44 E CB -0.306 29.340 29.700 -0.090 0.000 0.746 44 E HN 0.670 nan 8.360 nan 0.000 0.450 45 M N 0.231 119.893 119.600 0.104 0.000 2.086 45 M HA -0.182 4.296 4.480 -0.003 0.000 0.261 45 M C 2.457 178.922 176.300 0.275 0.000 1.067 45 M CA 1.021 56.443 55.300 0.203 0.000 1.116 45 M CB -0.304 32.481 32.600 0.308 0.000 1.348 45 M HN 0.127 nan 8.290 nan 0.000 0.407 46 L N 0.617 122.015 121.223 0.291 0.000 2.013 46 L HA -0.216 4.122 4.340 -0.003 0.000 0.212 46 L C 2.363 179.322 176.870 0.147 0.000 1.073 46 L CA 1.980 56.946 54.840 0.209 0.000 0.753 46 L CB -0.502 41.700 42.059 0.238 0.000 0.890 46 L HN 0.170 nan 8.230 nan 0.000 0.432 47 R N -0.894 119.680 120.500 0.124 0.000 2.189 47 R HA 0.030 4.368 4.340 -0.003 0.000 0.218 47 R C 1.917 178.258 176.300 0.068 0.000 1.074 47 R CA 0.813 56.963 56.100 0.083 0.000 0.991 47 R CB -0.365 29.968 30.300 0.054 0.000 0.883 47 R HN 0.504 nan 8.270 nan 0.000 0.457 48 A N 0.590 123.456 122.820 0.076 0.000 2.251 48 A HA 0.024 4.342 4.320 -0.003 0.000 0.209 48 A C 0.463 178.092 177.584 0.075 0.000 1.187 48 A CA 0.122 52.194 52.037 0.057 0.000 0.823 48 A CB 0.196 19.219 19.000 0.039 0.000 0.846 48 A HN 0.076 nan 8.150 nan 0.000 0.486 49 Q N 1.323 121.186 119.800 0.104 0.000 2.373 49 Q HA 0.268 4.606 4.340 -0.003 0.000 0.255 49 Q C -2.221 173.836 176.000 0.095 0.000 0.980 49 Q CA -1.695 54.173 55.803 0.108 0.000 0.882 49 Q CB 0.117 28.924 28.738 0.116 0.000 1.249 49 Q HN 0.344 nan 8.270 nan 0.000 0.438 50 P HA 0.013 nan 4.420 nan 0.000 0.268 50 P C -0.428 176.950 177.300 0.130 0.000 1.205 50 P CA -0.246 62.914 63.100 0.100 0.000 0.771 50 P CB 0.314 32.056 31.700 0.070 0.000 0.858 51 F N 2.553 122.504 119.950 0.002 0.000 2.578 51 F HA 0.300 4.825 4.527 -0.003 0.000 0.381 51 F C 0.070 175.869 175.800 -0.003 0.000 1.069 51 F CA -0.506 57.492 58.000 -0.003 0.000 1.231 51 F CB 0.179 39.175 39.000 -0.006 0.000 1.086 51 F HN 0.423 nan 8.300 nan 0.000 0.564 52 A N 7.547 130.009 122.820 -0.597 0.000 2.274 52 A HA 0.456 4.774 4.320 -0.003 0.000 0.309 52 A C -0.546 176.432 177.584 -1.010 0.000 1.226 52 A CA -0.953 50.745 52.037 -0.566 0.000 0.853 52 A CB 0.215 19.031 19.000 -0.307 0.000 1.146 52 A HN 0.797 nan 8.150 nan 0.000 0.518 53 K N 3.257 123.242 120.400 -0.691 0.000 2.270 53 K HA 0.544 4.862 4.320 -0.003 0.000 0.276 53 K C -2.567 173.872 176.600 -0.269 0.000 1.023 53 K CA -1.241 54.727 56.287 -0.531 0.000 0.955 53 K CB 0.210 32.653 32.500 -0.095 0.000 0.975 53 K HN 0.364 nan 8.250 nan 0.000 0.471 54 P HA 0.012 nan 4.420 nan 0.000 0.275 54 P C -0.438 176.851 177.300 -0.017 0.000 1.266 54 P CA -0.737 62.330 63.100 -0.057 0.000 0.793 54 P CB 0.342 32.055 31.700 0.022 0.000 1.074 55 V N 0.100 120.011 119.914 -0.005 0.000 2.763 55 V HA 0.226 4.344 4.120 -0.003 0.000 0.306 55 V C 0.946 177.059 176.094 0.033 0.000 1.059 55 V CA 0.283 62.589 62.300 0.010 0.000 1.138 55 V CB -0.065 31.766 31.823 0.013 0.000 0.940 55 V HN 0.764 nan 8.190 nan 0.000 0.489 56 A N 3.661 126.501 122.820 0.034 0.000 2.252 56 A HA 0.507 4.825 4.320 -0.003 0.000 0.305 56 A C 0.680 178.294 177.584 0.051 0.000 1.097 56 A CA -0.276 51.791 52.037 0.050 0.000 0.849 56 A CB -0.217 18.810 19.000 0.045 0.000 1.142 56 A HN 1.077 nan 8.150 nan 0.000 0.499 57 N N -0.411 118.328 118.700 0.064 0.000 2.714 57 N HA -0.172 4.566 4.740 -0.003 0.000 0.252 57 N C -0.760 174.774 175.510 0.040 0.000 1.014 57 N CA 0.900 53.983 53.050 0.054 0.000 0.735 57 N CB -1.032 37.475 38.487 0.033 0.000 0.924 57 N HN 0.713 nan 8.380 nan 0.000 0.540 58 Q N 0.058 119.895 119.800 0.061 0.000 2.394 58 Q HA 0.405 4.743 4.340 -0.003 0.000 0.273 58 Q C -0.187 175.857 176.000 0.073 0.000 1.089 58 Q CA -0.950 54.886 55.803 0.055 0.000 0.812 58 Q CB 2.099 30.875 28.738 0.063 0.000 1.353 58 Q HN 0.193 nan 8.270 nan 0.000 0.438 59 R N 0.900 121.431 120.500 0.051 0.000 2.640 59 R HA -0.011 4.327 4.340 -0.003 0.000 0.270 59 R C -0.094 176.259 176.300 0.089 0.000 1.024 59 R CA 0.162 56.303 56.100 0.069 0.000 1.085 59 R CB 0.152 30.473 30.300 0.035 0.000 0.963 59 R HN 0.526 nan 8.270 nan 0.000 0.426 60 H N 1.183 120.272 119.070 0.033 0.000 2.683 60 H HA 0.151 4.705 4.556 -0.003 0.000 0.339 60 H C -0.705 174.573 175.328 -0.083 0.000 1.081 60 H CA -0.189 55.858 56.048 -0.001 0.000 1.432 60 H CB 0.757 30.543 29.762 0.040 0.000 1.462 60 H HN 0.149 nan 8.280 nan 0.000 0.557 61 V N 6.245 125.809 119.914 -0.583 0.000 2.383 61 V HA 0.144 4.262 4.120 -0.003 0.000 0.275 61 V C -0.131 175.756 176.094 -0.345 0.000 1.036 61 V CA -0.774 61.181 62.300 -0.576 0.000 0.889 61 V CB 0.966 32.209 31.823 -0.967 0.000 0.985 61 V HN 0.839 nan 8.190 nan 0.000 0.459 62 N N 4.224 122.882 118.700 -0.069 0.000 2.501 62 N HA 0.254 4.992 4.740 -0.003 0.000 0.245 62 N C -1.217 174.436 175.510 0.237 0.000 0.974 62 N CA -0.320 52.865 53.050 0.226 0.000 0.941 62 N CB 1.731 40.417 38.487 0.332 0.000 1.122 62 N HN 0.707 nan 8.380 nan 0.000 0.507 63 Y N 3.319 123.721 120.300 0.170 0.000 2.385 63 Y HA 0.408 4.956 4.550 -0.004 0.000 0.341 63 Y C -0.215 175.922 175.900 0.396 0.000 0.965 63 Y CA -0.660 57.569 58.100 0.215 0.000 1.180 63 Y CB 0.532 39.096 38.460 0.173 0.000 1.139 63 Y HN 0.378 nan 8.280 nan 0.000 0.502 64 I N 5.648 126.271 120.570 0.089 0.000 2.312 64 I HA 0.296 4.465 4.170 -0.003 0.000 0.290 64 I C -0.194 175.993 176.117 0.117 0.000 1.008 64 I CA -0.367 61.081 61.300 0.247 0.000 1.226 64 I CB 1.094 39.221 38.000 0.210 0.000 1.371 64 I HN 0.492 nan 8.210 nan 0.000 0.468 65 S N 6.046 121.887 115.700 0.236 0.000 2.549 65 S HA 0.459 4.927 4.470 -0.003 0.000 0.280 65 S C 0.640 175.333 174.600 0.156 0.000 1.109 65 S CA -0.742 57.476 58.200 0.030 0.000 0.905 65 S CB 1.935 64.904 63.200 -0.384 0.000 1.081 65 S HN 0.634 nan 8.310 nan 0.000 0.477 66 M N 2.181 121.870 119.600 0.148 0.000 2.557 66 M HA 0.050 4.528 4.480 -0.003 0.000 0.259 66 M C 0.383 176.761 176.300 0.130 0.000 1.086 66 M CA 1.000 56.384 55.300 0.140 0.000 1.096 66 M CB -0.589 31.985 32.600 -0.043 0.000 1.424 66 M HN 0.744 nan 8.290 nan 0.000 0.488 67 E N -0.818 119.377 120.200 -0.009 0.000 2.340 67 E HA 0.538 4.886 4.350 -0.003 0.000 0.273 67 E C -1.407 175.057 176.600 -0.228 0.000 0.891 67 E CA -0.761 55.639 56.400 -0.000 0.000 0.757 67 E CB 1.606 31.263 29.700 -0.070 0.000 1.231 67 E HN -0.014 nan 8.360 nan 0.000 0.439 68 F N 1.805 121.789 119.950 0.057 0.000 2.902 68 F HA 0.244 4.770 4.527 -0.003 0.000 0.368 68 F C -0.951 174.827 175.800 -0.036 0.000 1.202 68 F CA -0.820 57.196 58.000 0.026 0.000 1.109 68 F CB 1.714 40.731 39.000 0.029 0.000 1.418 68 F HN 0.399 nan 8.300 nan 0.000 0.527 69 L N 6.031 127.295 121.223 0.067 0.000 2.399 69 L HA 0.332 4.670 4.340 -0.003 0.000 0.257 69 L C 1.124 178.005 176.870 0.017 0.000 1.236 69 L CA 0.332 55.173 54.840 0.003 0.000 1.144 69 L CB -0.433 41.620 42.059 -0.011 0.000 1.379 69 L HN 0.648 nan 8.230 nan 0.000 0.414 70 I N -0.186 120.375 120.570 -0.015 0.000 2.761 70 I HA 0.348 4.516 4.170 -0.003 0.000 0.261 70 I C 1.267 177.337 176.117 -0.078 0.000 1.198 70 I CA 0.399 61.680 61.300 -0.031 0.000 1.482 70 I CB -0.817 37.139 38.000 -0.072 0.000 1.100 70 I HN 0.551 nan 8.210 nan 0.000 0.445 71 G N 1.840 110.576 108.800 -0.106 0.000 2.796 71 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.226 71 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.226 71 G C -0.318 174.529 174.900 -0.089 0.000 1.381 71 G CA -0.354 44.680 45.100 -0.111 0.000 0.867 71 G HN 0.555 nan 8.290 nan 0.000 0.552 72 R N -0.700 119.769 120.500 -0.052 0.000 2.585 72 R HA 0.225 4.563 4.340 -0.003 0.000 0.275 72 R C 0.976 177.301 176.300 0.043 0.000 1.018 72 R CA -0.295 55.833 56.100 0.046 0.000 1.072 72 R CB 0.225 30.553 30.300 0.046 0.000 0.953 72 R HN 0.329 nan 8.270 nan 0.000 0.419 73 L N 2.227 123.532 121.223 0.137 0.000 2.470 73 L HA 0.033 4.371 4.340 -0.003 0.000 0.219 73 L C 1.906 178.723 176.870 -0.088 0.000 1.071 73 L CA 1.450 56.245 54.840 -0.075 0.000 0.850 73 L CB -0.211 41.704 42.059 -0.239 0.000 1.040 73 L HN 0.688 nan 8.230 nan 0.000 0.475 74 T N -0.698 114.023 114.554 0.279 0.000 2.674 74 T HA -0.110 4.238 4.350 -0.003 0.000 0.265 74 T C 1.798 176.654 174.700 0.260 0.000 1.039 74 T CA 1.437 63.803 62.100 0.444 0.000 1.150 74 T CB -0.578 68.720 68.868 0.717 0.000 0.864 74 T HN 0.446 nan 8.240 nan 0.000 0.427 75 G N 1.436 110.380 108.800 0.241 0.000 2.446 75 G HA2 -0.333 3.625 3.960 -0.003 0.000 0.217 75 G HA3 -0.333 3.625 3.960 -0.003 0.000 0.217 75 G C 1.501 176.486 174.900 0.142 0.000 1.168 75 G CA 1.409 46.658 45.100 0.249 0.000 0.771 75 G HN 0.560 nan 8.290 nan 0.000 0.551 76 N N 0.972 119.680 118.700 0.014 0.000 2.061 76 N HA -0.155 4.583 4.740 -0.003 0.000 0.193 76 N C 2.052 177.505 175.510 -0.094 0.000 1.030 76 N CA 1.895 54.902 53.050 -0.072 0.000 0.856 76 N CB -0.238 38.165 38.487 -0.140 0.000 1.023 76 N HN 0.207 nan 8.380 nan 0.000 0.424 77 N N 0.187 118.789 118.700 -0.165 0.000 2.120 77 N HA -0.078 4.660 4.740 -0.003 0.000 0.188 77 N C 1.698 177.134 175.510 -0.124 0.000 1.024 77 N CA 0.775 53.678 53.050 -0.245 0.000 0.852 77 N CB -0.464 37.712 38.487 -0.519 0.000 1.003 77 N HN 0.312 nan 8.380 nan 0.000 0.424 78 L N 0.496 121.739 121.223 0.034 0.000 2.012 78 L HA -0.160 4.178 4.340 -0.003 0.000 0.210 78 L C 2.349 179.271 176.870 0.087 0.000 1.073 78 L CA 0.893 55.803 54.840 0.116 0.000 0.748 78 L CB -0.440 41.753 42.059 0.224 0.000 0.891 78 L HN 0.179 nan 8.230 nan 0.000 0.431 79 L N -0.275 121.009 121.223 0.103 0.000 2.056 79 L HA -0.204 4.134 4.340 -0.003 0.000 0.207 79 L C 2.236 179.095 176.870 -0.018 0.000 1.078 79 L CA 1.560 56.429 54.840 0.049 0.000 0.749 79 L CB -0.332 41.732 42.059 0.009 0.000 0.901 79 L HN 0.259 nan 8.230 nan 0.000 0.433 80 N N -0.075 118.591 118.700 -0.057 0.000 2.188 80 N HA -0.131 4.607 4.740 -0.003 0.000 0.184 80 N C 1.782 177.119 175.510 -0.288 0.000 1.018 80 N CA 1.422 54.410 53.050 -0.104 0.000 0.858 80 N CB -0.355 38.085 38.487 -0.080 0.000 0.989 80 N HN 0.355 nan 8.380 nan 0.000 0.426 81 L N -0.703 120.306 121.223 -0.357 0.000 2.376 81 L HA 0.071 4.409 4.340 -0.003 0.000 0.219 81 L C 1.109 177.742 176.870 -0.395 0.000 1.133 81 L CA 0.586 55.069 54.840 -0.594 0.000 0.816 81 L CB -0.443 40.879 42.059 -1.229 0.000 0.933 81 L HN 0.271 nan 8.230 nan 0.000 0.449 82 G N -1.638 107.053 108.800 -0.183 0.000 2.160 82 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.244 82 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.244 82 G C 0.034 175.087 174.900 0.255 0.000 1.022 82 G CA 0.048 45.148 45.100 0.001 0.000 0.741 82 G HN 0.360 nan 8.290 nan 0.000 0.508 83 W N -1.218 120.046 121.300 -0.059 0.000 3.008 83 W HA 0.410 5.068 4.660 -0.003 0.000 0.355 83 W C 1.577 177.955 176.519 -0.236 0.000 1.095 83 W CA -0.834 56.397 57.345 -0.190 0.000 1.738 83 W CB -0.847 28.532 29.460 -0.134 0.000 1.091 83 W HN 0.345 nan 8.180 nan 0.000 0.574 84 Y N 2.032 122.345 120.300 0.022 0.000 2.070 84 Y HA -0.360 4.188 4.550 -0.003 0.000 0.280 84 Y C 2.730 178.568 175.900 -0.104 0.000 1.148 84 Y CA 2.994 61.076 58.100 -0.031 0.000 1.125 84 Y CB -0.519 37.937 38.460 -0.007 0.000 0.975 84 Y HN 0.009 nan 8.280 nan 0.000 0.492 85 Q N 0.310 120.205 119.800 0.158 0.000 2.119 85 Q HA -0.173 4.165 4.340 -0.003 0.000 0.201 85 Q C 1.663 177.569 176.000 -0.156 0.000 0.972 85 Q CA 2.082 57.913 55.803 0.046 0.000 0.847 85 Q CB -0.307 28.464 28.738 0.055 0.000 0.903 85 Q HN 0.460 nan 8.270 nan 0.000 0.433 86 D N -0.705 119.504 120.400 -0.319 0.000 2.117 86 D HA -0.136 4.502 4.640 -0.003 0.000 0.197 86 D C 1.823 177.685 176.300 -0.731 0.000 0.987 86 D CA 1.408 55.048 54.000 -0.600 0.000 0.829 86 D CB -0.087 40.017 40.800 -1.161 0.000 0.961 86 D HN 0.191 nan 8.370 nan 0.000 0.460 87 V N 0.716 120.157 119.914 -0.790 0.000 2.453 87 V HA -0.212 3.906 4.120 -0.003 0.000 0.247 87 V C 2.583 178.451 176.094 -0.377 0.000 1.048 87 V CA 1.438 63.321 62.300 -0.695 0.000 1.049 87 V CB -0.450 31.026 31.823 -0.578 0.000 0.672 87 V HN 0.178 nan 8.190 nan 0.000 0.457 88 Q N -0.192 119.414 119.800 -0.323 0.000 2.096 88 Q HA -0.256 4.082 4.340 -0.003 0.000 0.204 88 Q C 1.906 177.851 176.000 -0.093 0.000 0.982 88 Q CA 2.124 57.815 55.803 -0.187 0.000 0.850 88 Q CB -0.069 28.590 28.738 -0.132 0.000 0.901 88 Q HN 0.632 nan 8.270 nan 0.000 0.422 89 D N -0.364 119.974 120.400 -0.103 0.000 2.097 89 D HA -0.103 4.535 4.640 -0.003 0.000 0.197 89 D C 2.080 178.397 176.300 0.028 0.000 0.984 89 D CA 1.454 55.434 54.000 -0.034 0.000 0.826 89 D CB -0.347 40.431 40.800 -0.037 0.000 0.973 89 D HN 0.159 nan 8.370 nan 0.000 0.460 90 S N 0.613 116.332 115.700 0.032 0.000 2.374 90 S HA -0.128 4.340 4.470 -0.003 0.000 0.227 90 S C 2.118 176.922 174.600 0.340 0.000 1.037 90 S CA 0.663 58.988 58.200 0.209 0.000 1.024 90 S CB -0.304 63.055 63.200 0.266 0.000 0.861 90 S HN 0.274 nan 8.310 nan 0.000 0.456 91 L N 1.689 123.057 121.223 0.241 0.000 2.376 91 L HA -0.059 4.279 4.340 -0.003 0.000 0.219 91 L C 2.453 179.448 176.870 0.208 0.000 1.133 91 L CA 0.778 55.789 54.840 0.285 0.000 0.816 91 L CB -0.461 41.657 42.059 0.098 0.000 0.933 91 L HN 0.458 nan 8.230 nan 0.000 0.449 92 K N 0.609 121.082 120.400 0.121 0.000 2.148 92 K HA -0.086 4.232 4.320 -0.003 0.000 0.204 92 K C 1.969 178.603 176.600 0.057 0.000 1.050 92 K CA 1.249 57.572 56.287 0.060 0.000 0.942 92 K CB -0.348 32.170 32.500 0.030 0.000 0.724 92 K HN 0.143 nan 8.250 nan 0.000 0.446 93 A N 0.666 123.524 122.820 0.063 0.000 2.125 93 A HA -0.096 4.222 4.320 -0.003 0.000 0.219 93 A C 0.925 178.419 177.584 -0.150 0.000 1.156 93 A CA 0.799 52.797 52.037 -0.065 0.000 0.671 93 A CB -0.612 18.304 19.000 -0.139 0.000 0.794 93 A HN 0.499 nan 8.150 nan 0.000 0.459 94 Y N -0.689 119.643 120.300 0.054 0.000 2.467 94 Y HA 0.157 4.705 4.550 -0.003 0.000 0.250 94 Y C 0.052 175.921 175.900 -0.051 0.000 1.155 94 Y CA -0.248 57.888 58.100 0.060 0.000 1.249 94 Y CB 0.502 39.057 38.460 0.159 0.000 1.146 94 Y HN 0.319 nan 8.280 nan 0.000 0.524 95 D N 0.395 120.826 120.400 0.053 0.000 2.800 95 D HA -0.166 4.472 4.640 -0.003 0.000 0.232 95 D C -0.675 175.560 176.300 -0.108 0.000 1.137 95 D CA 0.648 54.637 54.000 -0.019 0.000 0.718 95 D CB -1.106 39.688 40.800 -0.011 0.000 1.084 95 D HN 0.162 nan 8.370 nan 0.000 0.432 96 I N 0.998 121.476 120.570 -0.154 0.000 2.404 96 I HA 0.215 4.383 4.170 -0.003 0.000 0.293 96 I C 0.650 176.671 176.117 -0.160 0.000 0.992 96 I CA -0.648 60.468 61.300 -0.306 0.000 1.149 96 I CB 1.647 39.271 38.000 -0.627 0.000 1.315 96 I HN -0.088 nan 8.210 nan 0.000 0.446 97 N N 4.700 123.324 118.700 -0.127 0.000 2.426 97 N HA 0.179 4.917 4.740 -0.003 0.000 0.257 97 N C 0.927 176.410 175.510 -0.045 0.000 1.002 97 N CA -0.510 52.506 53.050 -0.058 0.000 0.942 97 N CB 1.065 39.534 38.487 -0.031 0.000 1.112 97 N HN 0.511 nan 8.380 nan 0.000 0.499 98 L N 3.610 124.806 121.223 -0.043 0.000 2.042 98 L HA -0.131 4.207 4.340 -0.003 0.000 0.210 98 L C 1.792 178.679 176.870 0.029 0.000 1.076 98 L CA 2.020 56.831 54.840 -0.050 0.000 0.749 98 L CB -0.960 40.987 42.059 -0.188 0.000 0.893 98 L HN 0.688 nan 8.230 nan 0.000 0.432 99 T N -0.413 114.187 114.554 0.077 0.000 2.720 99 T HA -0.165 4.183 4.350 -0.003 0.000 0.268 99 T C 1.472 176.225 174.700 0.089 0.000 1.037 99 T CA 1.584 63.761 62.100 0.127 0.000 1.144 99 T CB -0.358 68.588 68.868 0.129 0.000 0.864 99 T HN 0.428 nan 8.240 nan 0.000 0.444 100 D N 1.015 121.450 120.400 0.058 0.000 2.117 100 D HA -0.026 4.612 4.640 -0.003 0.000 0.198 100 D C 2.098 178.438 176.300 0.066 0.000 0.982 100 D CA 0.513 54.543 54.000 0.050 0.000 0.828 100 D CB -0.557 40.258 40.800 0.026 0.000 0.967 100 D HN 0.284 nan 8.370 nan 0.000 0.464 101 L N 0.475 121.741 121.223 0.071 0.000 2.079 101 L HA -0.170 4.168 4.340 -0.003 0.000 0.210 101 L C 2.183 179.182 176.870 0.216 0.000 1.081 101 L CA 1.093 56.021 54.840 0.146 0.000 0.752 101 L CB -0.168 41.977 42.059 0.144 0.000 0.896 101 L HN -0.003 nan 8.230 nan 0.000 0.433 102 L N -0.335 121.001 121.223 0.187 0.000 2.201 102 L HA -0.154 4.184 4.340 -0.003 0.000 0.212 102 L C 2.430 179.330 176.870 0.050 0.000 1.105 102 L CA 0.791 55.752 54.840 0.202 0.000 0.775 102 L CB -0.562 41.620 42.059 0.204 0.000 0.913 102 L HN 0.323 nan 8.230 nan 0.000 0.440 103 E N -0.004 120.217 120.200 0.035 0.000 2.472 103 E HA -0.151 4.197 4.350 -0.003 0.000 0.200 103 E C 1.629 178.184 176.600 -0.076 0.000 1.046 103 E CA 0.433 56.829 56.400 -0.006 0.000 0.871 103 E CB 0.033 29.756 29.700 0.038 0.000 0.806 103 E HN 0.494 nan 8.360 nan 0.000 0.533 104 E N 0.987 121.111 120.200 -0.127 0.000 2.347 104 E HA -0.089 4.259 4.350 -0.003 0.000 0.196 104 E C 0.691 176.971 176.600 -0.533 0.000 1.008 104 E CA 0.226 56.503 56.400 -0.204 0.000 0.852 104 E CB -0.055 29.623 29.700 -0.036 0.000 0.783 104 E HN 0.378 nan 8.360 nan 0.000 0.505 105 E N 1.139 120.834 120.200 -0.842 0.000 2.299 105 E HA 0.071 4.419 4.350 -0.003 0.000 0.272 105 E C -0.416 175.984 176.600 -0.333 0.000 1.043 105 E CA -0.152 55.651 56.400 -0.995 0.000 0.895 105 E CB 0.390 29.669 29.700 -0.702 0.000 1.011 105 E HN -0.014 nan 8.360 nan 0.000 0.432 106 I N 4.685 125.150 120.570 -0.175 0.000 2.396 106 I HA 0.019 4.187 4.170 -0.003 0.000 0.289 106 I C -0.087 176.049 176.117 0.032 0.000 1.056 106 I CA -0.588 60.710 61.300 -0.003 0.000 1.365 106 I CB 0.758 38.817 38.000 0.097 0.000 1.407 106 I HN 0.537 nan 8.210 nan 0.000 0.509 107 D N 9.056 129.433 120.400 -0.037 0.000 2.586 107 D HA 0.011 4.649 4.640 -0.003 0.000 0.234 107 D C -2.272 173.866 176.300 -0.271 0.000 1.132 107 D CA -0.373 53.560 54.000 -0.112 0.000 0.860 107 D CB 0.054 40.770 40.800 -0.139 0.000 1.159 107 D HN 0.216 nan 8.370 nan 0.000 0.490 108 P HA 0.060 nan 4.420 nan 0.000 0.261 108 P C -0.828 175.774 177.300 -1.163 0.000 1.183 108 P CA 0.085 62.356 63.100 -1.381 0.000 0.761 108 P CB 0.529 31.468 31.700 -1.270 0.000 0.785 109 A N 4.512 126.406 122.820 -1.543 0.000 3.015 109 A HA 0.268 4.586 4.320 -0.003 0.000 0.293 109 A C 0.594 177.945 177.584 -0.388 0.000 1.572 109 A CA -0.105 51.555 52.037 -0.629 0.000 1.274 109 A CB -0.974 17.879 19.000 -0.245 0.000 1.156 109 A HN 0.602 nan 8.150 nan 0.000 0.562 110 L N 0.912 121.952 121.223 -0.306 0.000 2.966 110 L HA 0.389 4.727 4.340 -0.003 0.000 0.262 110 L C 0.970 177.856 176.870 0.026 0.000 1.165 110 L CA 0.250 55.073 54.840 -0.029 0.000 0.978 110 L CB 0.689 42.697 42.059 -0.084 0.000 1.337 110 L HN 0.674 nan 8.230 nan 0.000 0.563 111 G N -1.038 107.706 108.800 -0.094 0.000 2.645 111 G HA2 0.213 4.171 3.960 -0.003 0.000 0.292 111 G HA3 0.213 4.171 3.960 -0.003 0.000 0.292 111 G C -0.543 174.300 174.900 -0.095 0.000 1.415 111 G CA -0.149 44.902 45.100 -0.081 0.000 0.785 111 G HN -0.171 nan 8.290 nan 0.000 0.483 112 N N -1.741 116.951 118.700 -0.013 0.000 2.559 112 N HA 0.325 5.063 4.740 -0.003 0.000 0.247 112 N C 0.880 176.420 175.510 0.050 0.000 1.063 112 N CA 1.441 54.512 53.050 0.035 0.000 0.876 112 N CB 0.980 39.599 38.487 0.220 0.000 1.608 112 N HN 0.969 nan 8.380 nan 0.000 0.467 113 G N -1.357 107.486 108.800 0.071 0.000 2.896 113 G HA2 0.380 4.338 3.960 -0.003 0.000 0.247 113 G HA3 0.380 4.338 3.960 -0.003 0.000 0.247 113 G C 0.574 175.490 174.900 0.026 0.000 1.187 113 G CA 0.118 45.255 45.100 0.063 0.000 0.837 113 G HN 0.178 nan 8.290 nan 0.000 0.559 114 G N -0.155 108.658 108.800 0.021 0.000 2.442 114 G HA2 -0.036 3.922 3.960 -0.003 0.000 0.219 114 G HA3 -0.036 3.922 3.960 -0.003 0.000 0.219 114 G C 1.762 176.625 174.900 -0.062 0.000 1.141 114 G CA 1.664 46.753 45.100 -0.018 0.000 0.763 114 G HN 0.603 nan 8.290 nan 0.000 0.554 115 L N 1.546 122.726 121.223 -0.071 0.000 2.027 115 L HA 0.191 4.530 4.340 -0.003 0.000 0.206 115 L C 2.764 179.527 176.870 -0.179 0.000 1.074 115 L CA 2.483 57.205 54.840 -0.197 0.000 0.745 115 L CB -1.161 40.785 42.059 -0.188 0.000 0.898 115 L HN 0.136 nan 8.230 nan 0.000 0.433 116 G N -0.821 107.918 108.800 -0.101 0.000 2.440 116 G HA2 -0.367 3.591 3.960 -0.003 0.000 0.218 116 G HA3 -0.367 3.591 3.960 -0.003 0.000 0.218 116 G C 1.770 176.615 174.900 -0.092 0.000 1.154 116 G CA 0.946 45.974 45.100 -0.121 0.000 0.767 116 G HN 0.376 nan 8.290 nan 0.000 0.552 117 R N 0.091 120.560 120.500 -0.052 0.000 2.148 117 R HA 0.199 4.537 4.340 -0.003 0.000 0.223 117 R C 2.341 178.610 176.300 -0.052 0.000 1.088 117 R CA 0.539 56.639 56.100 -0.000 0.000 0.985 117 R CB -0.717 29.599 30.300 0.027 0.000 0.880 117 R HN 0.371 nan 8.270 nan 0.000 0.451 118 L N -0.374 120.746 121.223 -0.172 0.000 2.027 118 L HA -0.025 4.313 4.340 -0.003 0.000 0.206 118 L C 1.886 178.454 176.870 -0.503 0.000 1.074 118 L CA 1.866 56.473 54.840 -0.388 0.000 0.745 118 L CB -0.864 40.941 42.059 -0.424 0.000 0.898 118 L HN 0.336 nan 8.230 nan 0.000 0.433 119 A N 0.058 122.695 122.820 -0.306 0.000 1.917 119 A HA -0.243 4.075 4.320 -0.003 0.000 0.219 119 A C 2.441 180.040 177.584 0.024 0.000 1.182 119 A CA 2.050 53.970 52.037 -0.195 0.000 0.633 119 A CB -0.803 17.947 19.000 -0.417 0.000 0.819 119 A HN 0.575 nan 8.150 nan 0.000 0.448 120 A N -1.155 121.716 122.820 0.085 0.000 1.873 120 A HA -0.146 4.172 4.320 -0.003 0.000 0.215 120 A C 2.328 179.987 177.584 0.125 0.000 1.186 120 A CA 1.624 53.760 52.037 0.165 0.000 0.616 120 A CB -1.296 17.785 19.000 0.136 0.000 0.823 120 A HN 0.612 nan 8.150 nan 0.000 0.442 121 C N -1.423 117.948 119.300 0.119 0.000 2.413 121 C HA -0.092 4.366 4.460 -0.003 0.000 0.276 121 C C 2.438 177.608 174.990 0.301 0.000 1.248 121 C CA 0.737 59.874 59.018 0.199 0.000 1.742 121 C CB -1.624 26.247 27.740 0.218 0.000 2.017 121 C HN 0.606 nan 8.230 nan 0.000 0.481 122 F N 0.956 120.900 119.950 -0.010 0.000 2.186 122 F HA -0.038 4.487 4.527 -0.004 0.000 0.299 122 F C 2.245 177.989 175.800 -0.093 0.000 1.090 122 F CA 0.900 58.850 58.000 -0.082 0.000 1.307 122 F CB -1.352 37.479 39.000 -0.283 0.000 1.019 122 F HN 0.195 nan 8.300 nan 0.000 0.489 123 L N -0.372 120.923 121.223 0.119 0.000 2.017 123 L HA -0.242 4.096 4.340 -0.003 0.000 0.208 123 L C 2.455 179.340 176.870 0.025 0.000 1.073 123 L CA 1.880 56.745 54.840 0.041 0.000 0.745 123 L CB -0.699 41.390 42.059 0.050 0.000 0.894 123 L HN 0.158 nan 8.230 nan 0.000 0.432 124 D N -0.290 120.140 120.400 0.049 0.000 2.104 124 D HA -0.176 4.462 4.640 -0.003 0.000 0.194 124 D C 2.056 178.376 176.300 0.032 0.000 0.994 124 D CA 1.717 55.732 54.000 0.024 0.000 0.830 124 D CB 0.305 41.123 40.800 0.030 0.000 0.959 124 D HN 0.215 nan 8.370 nan 0.000 0.452 125 S N -0.027 115.714 115.700 0.068 0.000 2.368 125 S HA -0.103 4.365 4.470 -0.003 0.000 0.225 125 S C 2.158 176.770 174.600 0.020 0.000 1.030 125 S CA 0.896 59.126 58.200 0.051 0.000 0.999 125 S CB -0.151 63.094 63.200 0.075 0.000 0.844 125 S HN 0.353 nan 8.310 nan 0.000 0.459 126 M N 1.007 120.611 119.600 0.008 0.000 2.117 126 M HA -0.113 4.365 4.480 -0.003 0.000 0.262 126 M C 2.490 178.775 176.300 -0.024 0.000 1.065 126 M CA 1.477 56.768 55.300 -0.015 0.000 1.114 126 M CB -0.569 31.994 32.600 -0.062 0.000 1.361 126 M HN 0.401 nan 8.290 nan 0.000 0.408 127 A N -0.376 122.428 122.820 -0.026 0.000 1.930 127 A HA -0.126 4.192 4.320 -0.003 0.000 0.217 127 A C 2.164 179.733 177.584 -0.026 0.000 1.175 127 A CA 2.050 54.066 52.037 -0.035 0.000 0.627 127 A CB -0.993 17.981 19.000 -0.044 0.000 0.815 127 A HN 0.434 nan 8.150 nan 0.000 0.443 128 T N -0.393 114.159 114.554 -0.004 0.000 2.904 128 T HA -0.047 4.301 4.350 -0.003 0.000 0.267 128 T C 1.689 176.394 174.700 0.008 0.000 1.059 128 T CA 1.682 63.792 62.100 0.016 0.000 1.137 128 T CB -0.281 68.609 68.868 0.036 0.000 0.879 128 T HN 0.625 nan 8.240 nan 0.000 0.467 129 V N -1.149 118.767 119.914 0.004 0.000 3.647 129 V HA 0.569 4.687 4.120 -0.003 0.000 0.279 129 V C 1.391 177.483 176.094 -0.003 0.000 1.314 129 V CA 0.236 62.539 62.300 0.005 0.000 1.125 129 V CB -0.865 30.966 31.823 0.013 0.000 0.907 129 V HN 0.473 nan 8.190 nan 0.000 0.434 130 G N 1.012 109.802 108.800 -0.016 0.000 2.221 130 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.265 130 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.265 130 G C 0.052 174.945 174.900 -0.012 0.000 1.041 130 G CA 0.612 45.696 45.100 -0.026 0.000 0.807 130 G HN 1.020 nan 8.290 nan 0.000 0.502 131 Q N 0.963 120.757 119.800 -0.010 0.000 2.361 131 Q HA 0.581 4.919 4.340 -0.003 0.000 0.250 131 Q C 0.606 176.566 176.000 -0.067 0.000 1.023 131 Q CA 0.179 55.974 55.803 -0.013 0.000 0.915 131 Q CB 0.807 29.553 28.738 0.014 0.000 1.238 131 Q HN 0.469 nan 8.270 nan 0.000 0.451 132 S N 3.205 118.878 115.700 -0.045 0.000 2.546 132 S HA 0.523 4.991 4.470 -0.003 0.000 0.290 132 S C -0.766 173.614 174.600 -0.367 0.000 1.290 132 S CA 0.477 58.652 58.200 -0.043 0.000 1.069 132 S CB -0.364 62.922 63.200 0.143 0.000 0.846 132 S HN 0.819 nan 8.310 nan 0.000 0.495 133 A N 4.128 126.707 122.820 -0.401 0.000 2.599 133 A HA 0.744 5.062 4.320 -0.003 0.000 0.290 133 A C -0.821 176.617 177.584 -0.243 0.000 1.101 133 A CA -0.805 50.855 52.037 -0.629 0.000 0.674 133 A CB 1.598 20.378 19.000 -0.367 0.000 1.277 133 A HN 0.660 nan 8.150 nan 0.000 0.419 134 T N 0.623 115.087 114.554 -0.150 0.000 2.937 134 T HA 0.613 4.961 4.350 -0.003 0.000 0.297 134 T C 0.093 174.671 174.700 -0.203 0.000 0.991 134 T CA 0.109 62.120 62.100 -0.148 0.000 0.990 134 T CB 1.599 70.391 68.868 -0.126 0.000 0.991 134 T HN 1.364 nan 8.240 nan 0.000 0.440 135 G N 1.628 110.282 108.800 -0.243 0.000 2.372 135 G HA2 0.545 4.504 3.960 -0.003 0.000 0.283 135 G HA3 0.545 4.504 3.960 -0.003 0.000 0.283 135 G C -1.405 173.309 174.900 -0.310 0.000 1.177 135 G CA -0.211 44.829 45.100 -0.100 0.000 0.842 135 G HN 0.623 nan 8.290 nan 0.000 0.503 136 Y N 1.012 121.443 120.300 0.219 0.000 2.326 136 Y HA 0.586 5.134 4.550 -0.004 0.000 0.331 136 Y C 0.793 176.924 175.900 0.386 0.000 0.962 136 Y CA -0.058 58.166 58.100 0.207 0.000 1.167 136 Y CB 2.345 40.998 38.460 0.321 0.000 1.148 136 Y HN 0.820 nan 8.280 nan 0.000 0.463 137 G N 2.326 111.352 108.800 0.376 0.000 3.183 137 G HA2 0.753 4.711 3.960 -0.003 0.000 0.247 137 G HA3 0.753 4.711 3.960 -0.003 0.000 0.247 137 G C -1.717 173.353 174.900 0.282 0.000 1.211 137 G CA -0.927 44.453 45.100 0.467 0.000 0.835 137 G HN 0.402 nan 8.290 nan 0.000 0.604 138 L N 0.152 121.433 121.223 0.096 0.000 2.381 138 L HA 0.429 4.767 4.340 -0.003 0.000 0.268 138 L C -0.290 176.380 176.870 -0.332 0.000 0.997 138 L CA -0.659 54.111 54.840 -0.116 0.000 0.818 138 L CB 2.529 44.340 42.059 -0.413 0.000 1.310 138 L HN 0.611 nan 8.230 nan 0.000 0.416 139 N N 1.869 120.485 118.700 -0.140 0.000 3.188 139 N HA 0.159 4.897 4.740 -0.003 0.000 0.279 139 N C -1.073 174.431 175.510 -0.010 0.000 1.213 139 N CA -0.531 52.515 53.050 -0.007 0.000 1.138 139 N CB 0.188 38.661 38.487 -0.022 0.000 1.417 139 N HN 0.350 nan 8.380 nan 0.000 0.526 140 Y N 0.984 121.414 120.300 0.216 0.000 2.620 140 Y HA -0.099 4.449 4.550 -0.003 0.000 0.330 140 Y C 1.794 177.830 175.900 0.227 0.000 1.186 140 Y CA 0.182 58.387 58.100 0.175 0.000 1.467 140 Y CB 0.555 39.100 38.460 0.142 0.000 1.262 140 Y HN 0.457 nan 8.280 nan 0.000 0.550 141 Q N 1.849 121.725 119.800 0.127 0.000 2.079 141 Q HA -0.165 4.174 4.340 -0.003 0.000 0.200 141 Q C 0.133 176.000 176.000 -0.221 0.000 0.974 141 Q CA 1.584 57.218 55.803 -0.282 0.000 0.840 141 Q CB 0.068 28.396 28.738 -0.684 0.000 0.898 141 Q HN 0.865 nan 8.270 nan 0.000 0.430 142 Y N -1.156 119.314 120.300 0.284 0.000 2.641 142 Y HA 0.341 4.889 4.550 -0.004 0.000 0.248 142 Y C 0.904 176.913 175.900 0.181 0.000 1.170 142 Y CA 0.057 58.294 58.100 0.229 0.000 1.201 142 Y CB 0.794 39.335 38.460 0.136 0.000 1.232 142 Y HN 0.265 nan 8.280 nan 0.000 0.537 143 G N 0.945 109.914 108.800 0.281 0.000 2.582 143 G HA2 -0.388 3.570 3.960 -0.003 0.000 0.288 143 G HA3 -0.388 3.570 3.960 -0.003 0.000 0.288 143 G C 0.677 175.533 174.900 -0.073 0.000 1.247 143 G CA 0.632 45.749 45.100 0.029 0.000 0.972 143 G HN 0.303 nan 8.290 nan 0.000 0.557 144 L N -0.068 121.087 121.223 -0.113 0.000 2.115 144 L HA 0.652 4.990 4.340 -0.003 0.000 0.200 144 L C 0.947 177.900 176.870 0.140 0.000 1.094 144 L CA 2.683 57.488 54.840 -0.059 0.000 0.769 144 L CB -0.181 41.764 42.059 -0.191 0.000 0.931 144 L HN 1.298 nan 8.230 nan 0.000 0.455 145 F N -2.872 117.086 119.950 0.014 0.000 2.799 145 F HA 0.397 4.922 4.527 -0.004 0.000 0.316 145 F C -0.664 175.140 175.800 0.006 0.000 1.155 145 F CA -1.502 56.508 58.000 0.016 0.000 0.916 145 F CB 0.579 39.582 39.000 0.005 0.000 1.294 145 F HN -0.133 nan 8.300 nan 0.000 0.447 146 R N 2.122 122.765 120.500 0.237 0.000 2.265 146 R HA 0.384 4.722 4.340 -0.003 0.000 0.319 146 R C -0.920 175.519 176.300 0.232 0.000 1.006 146 R CA -0.442 55.726 56.100 0.113 0.000 0.880 146 R CB 1.319 31.666 30.300 0.078 0.000 1.077 146 R HN 0.897 nan 8.270 nan 0.000 0.454 147 Q N 2.845 122.711 119.800 0.110 0.000 2.241 147 Q HA 0.306 4.644 4.340 -0.003 0.000 0.254 147 Q C -1.202 174.688 176.000 -0.185 0.000 0.917 147 Q CA -0.456 55.404 55.803 0.094 0.000 0.919 147 Q CB 1.431 30.199 28.738 0.051 0.000 1.237 147 Q HN 0.833 nan 8.270 nan 0.000 0.434 148 S N 2.248 117.803 115.700 -0.242 0.000 2.704 148 S HA 0.736 5.204 4.470 -0.003 0.000 0.296 148 S C -1.143 173.236 174.600 -0.369 0.000 1.138 148 S CA -0.730 57.263 58.200 -0.344 0.000 0.875 148 S CB 1.045 64.166 63.200 -0.131 0.000 1.151 148 S HN 0.404 nan 8.310 nan 0.000 0.500 149 F N 0.349 120.265 119.950 -0.057 0.000 2.493 149 F HA 0.676 5.201 4.527 -0.004 0.000 0.329 149 F C -0.567 175.207 175.800 -0.044 0.000 1.126 149 F CA -1.305 56.649 58.000 -0.077 0.000 0.937 149 F CB 2.123 41.055 39.000 -0.114 0.000 1.146 149 F HN 0.444 nan 8.300 nan 0.000 0.442 150 V N 3.330 123.339 119.914 0.158 0.000 2.407 150 V HA 0.304 4.422 4.120 -0.003 0.000 0.291 150 V C -0.692 175.441 176.094 0.064 0.000 1.018 150 V CA -1.113 61.234 62.300 0.079 0.000 0.842 150 V CB 1.508 33.349 31.823 0.030 0.000 0.996 150 V HN 0.791 nan 8.190 nan 0.000 0.426 151 D N 4.206 124.650 120.400 0.073 0.000 2.751 151 D HA -0.205 4.433 4.640 -0.003 0.000 0.233 151 D C 1.320 177.717 176.300 0.162 0.000 1.149 151 D CA 1.602 55.657 54.000 0.093 0.000 0.682 151 D CB -1.126 39.710 40.800 0.060 0.000 1.068 151 D HN 1.440 nan 8.370 nan 0.000 0.429 152 G N -0.784 108.089 108.800 0.121 0.000 2.184 152 G HA2 -0.369 3.589 3.960 -0.003 0.000 0.264 152 G HA3 -0.369 3.589 3.960 -0.003 0.000 0.264 152 G C 0.300 175.253 174.900 0.088 0.000 0.975 152 G CA 0.860 46.016 45.100 0.094 0.000 0.642 152 G HN 0.500 nan 8.290 nan 0.000 0.536 153 K N 0.336 120.775 120.400 0.064 0.000 2.123 153 K HA 0.464 4.782 4.320 -0.003 0.000 0.259 153 K C 0.402 177.085 176.600 0.139 0.000 0.960 153 K CA -0.675 55.612 56.287 -0.000 0.000 0.872 153 K CB 1.487 33.881 32.500 -0.177 0.000 1.079 153 K HN 0.303 nan 8.250 nan 0.000 0.440 154 Q N 2.089 121.976 119.800 0.145 0.000 2.311 154 Q HA 0.111 4.450 4.340 -0.003 0.000 0.272 154 Q C -1.094 174.917 176.000 0.017 0.000 1.012 154 Q CA -0.130 55.786 55.803 0.188 0.000 0.891 154 Q CB 0.700 29.520 28.738 0.136 0.000 1.201 154 Q HN 0.275 nan 8.270 nan 0.000 0.391 155 V N 4.411 124.316 119.914 -0.016 0.000 2.555 155 V HA 0.292 4.410 4.120 -0.003 0.000 0.302 155 V C -0.924 175.086 176.094 -0.140 0.000 1.038 155 V CA -0.692 61.559 62.300 -0.083 0.000 0.887 155 V CB 1.932 33.728 31.823 -0.046 0.000 0.991 155 V HN 0.859 nan 8.190 nan 0.000 0.434 156 E N 3.061 123.116 120.200 -0.241 0.000 2.133 156 E HA 0.732 5.080 4.350 -0.003 0.000 0.274 156 E C -0.340 176.205 176.600 -0.091 0.000 0.930 156 E CA -0.161 56.047 56.400 -0.319 0.000 0.770 156 E CB 1.876 31.121 29.700 -0.758 0.000 1.104 156 E HN 0.863 nan 8.360 nan 0.000 0.403 157 A N 3.926 126.772 122.820 0.044 0.000 2.386 157 A HA 0.762 5.080 4.320 -0.003 0.000 0.308 157 A C -2.574 175.050 177.584 0.068 0.000 1.128 157 A CA -2.064 49.986 52.037 0.022 0.000 0.789 157 A CB 0.820 19.827 19.000 0.012 0.000 1.325 157 A HN 0.381 nan 8.150 nan 0.000 0.437 158 P HA 0.110 nan 4.420 nan 0.000 0.267 158 P C -0.945 176.422 177.300 0.113 0.000 1.205 158 P CA 0.329 63.398 63.100 -0.053 0.000 0.765 158 P CB 0.408 31.852 31.700 -0.427 0.000 0.828 159 D N 2.497 123.032 120.400 0.226 0.000 2.563 159 D HA 0.013 4.651 4.640 -0.003 0.000 0.222 159 D C -0.447 176.067 176.300 0.357 0.000 1.145 159 D CA -0.140 53.989 54.000 0.216 0.000 1.001 159 D CB -0.675 40.201 40.800 0.127 0.000 1.049 159 D HN 0.147 nan 8.370 nan 0.000 0.515 160 D N 2.415 123.003 120.400 0.313 0.000 2.358 160 D HA -0.061 4.577 4.640 -0.003 0.000 0.258 160 D C 0.563 176.896 176.300 0.055 0.000 1.223 160 D CA -0.298 53.843 54.000 0.235 0.000 0.886 160 D CB 0.341 41.224 40.800 0.138 0.000 1.120 160 D HN 0.497 nan 8.370 nan 0.000 0.482 161 W N 4.625 125.829 121.300 -0.160 0.000 2.653 161 W HA 0.184 4.843 4.660 -0.003 0.000 0.391 161 W C -0.471 176.025 176.519 -0.037 0.000 0.962 161 W CA -0.463 56.790 57.345 -0.153 0.000 1.900 161 W CB -1.107 28.322 29.460 -0.053 0.000 1.176 161 W HN 0.437 nan 8.180 nan 0.000 0.582 162 H N 0.989 119.949 119.070 -0.184 0.000 2.819 162 H HA -0.223 4.331 4.556 -0.003 0.000 0.315 162 H C 1.848 176.921 175.328 -0.426 0.000 1.242 162 H CA 1.318 57.255 56.048 -0.186 0.000 1.157 162 H CB -1.855 27.947 29.762 0.065 0.000 1.451 162 H HN 0.403 nan 8.280 nan 0.000 0.430 163 R N 1.052 120.953 120.500 -0.999 0.000 2.113 163 R HA -0.206 4.132 4.340 -0.003 0.000 0.244 163 R C 2.178 178.175 176.300 -0.505 0.000 1.142 163 R CA 2.522 57.827 56.100 -1.325 0.000 0.953 163 R CB -0.126 29.349 30.300 -1.376 0.000 0.860 163 R HN 0.439 nan 8.270 nan 0.000 0.438 164 S N -0.264 115.180 115.700 -0.427 0.000 2.447 164 S HA -0.032 4.436 4.470 -0.003 0.000 0.233 164 S C 1.166 175.742 174.600 -0.039 0.000 1.006 164 S CA 0.987 58.990 58.200 -0.328 0.000 0.957 164 S CB -0.076 62.963 63.200 -0.268 0.000 0.773 164 S HN 0.427 nan 8.310 nan 0.000 0.507 165 N N 0.095 118.828 118.700 0.055 0.000 2.238 165 N HA 0.152 4.890 4.740 -0.003 0.000 0.222 165 N C -0.915 174.750 175.510 0.259 0.000 1.133 165 N CA -0.168 52.968 53.050 0.143 0.000 0.854 165 N CB 0.182 38.720 38.487 0.086 0.000 1.041 165 N HN 0.475 nan 8.380 nan 0.000 0.510 166 Y N 4.200 124.662 120.300 0.271 0.000 2.569 166 Y HA 0.096 4.644 4.550 -0.003 0.000 0.332 166 Y C -1.153 174.918 175.900 0.284 0.000 1.120 166 Y CA -1.421 56.903 58.100 0.373 0.000 1.416 166 Y CB 0.968 39.705 38.460 0.460 0.000 1.210 166 Y HN 0.084 nan 8.280 nan 0.000 0.528 167 P HA -0.141 nan 4.420 nan 0.000 0.226 167 P C 0.469 177.503 177.300 -0.444 0.000 1.153 167 P CA 1.366 64.192 63.100 -0.457 0.000 0.777 167 P CB 0.021 31.228 31.700 -0.822 0.000 0.794 168 W N -1.425 119.707 121.300 -0.281 0.000 3.139 168 W HA 0.195 4.853 4.660 -0.003 0.000 0.260 168 W C 0.731 177.309 176.519 0.100 0.000 1.312 168 W CA -0.593 56.711 57.345 -0.069 0.000 1.606 168 W CB -0.537 28.905 29.460 -0.029 0.000 1.118 168 W HN -0.260 nan 8.180 nan 0.000 0.675 169 F N 2.394 122.602 119.950 0.430 0.000 2.506 169 F HA 0.174 4.699 4.527 -0.003 0.000 0.351 169 F C 1.207 177.140 175.800 0.221 0.000 1.136 169 F CA -0.525 57.716 58.000 0.403 0.000 1.298 169 F CB 0.397 39.739 39.000 0.570 0.000 1.145 169 F HN -0.131 nan 8.300 nan 0.000 0.593 170 R N 1.506 122.260 120.500 0.423 0.000 2.807 170 R HA 0.635 4.973 4.340 -0.003 0.000 0.276 170 R C -1.925 174.335 176.300 -0.068 0.000 0.979 170 R CA -1.005 55.174 56.100 0.131 0.000 0.928 170 R CB 1.875 32.213 30.300 0.062 0.000 1.191 170 R HN 0.679 nan 8.270 nan 0.000 0.471 171 H N 1.203 120.017 119.070 -0.426 0.000 2.823 171 H HA 0.314 4.868 4.556 -0.003 0.000 0.332 171 H C -1.637 173.429 175.328 -0.436 0.000 0.980 171 H CA -0.848 54.755 56.048 -0.742 0.000 1.286 171 H CB 1.377 30.203 29.762 -1.561 0.000 1.541 171 H HN 0.698 nan 8.280 nan 0.000 0.521 172 N N 3.602 121.893 118.700 -0.682 0.000 2.485 172 N HA 0.051 4.789 4.740 -0.003 0.000 0.243 172 N C 0.766 175.860 175.510 -0.693 0.000 0.987 172 N CA -0.269 52.438 53.050 -0.571 0.000 0.940 172 N CB 0.837 39.151 38.487 -0.288 0.000 1.122 172 N HN 0.921 nan 8.380 nan 0.000 0.509 173 E N 2.558 122.311 120.200 -0.745 0.000 2.331 173 E HA -0.160 4.188 4.350 -0.003 0.000 0.199 173 E C 1.032 177.531 176.600 -0.168 0.000 1.008 173 E CA 1.135 57.280 56.400 -0.425 0.000 0.843 173 E CB -0.063 29.507 29.700 -0.217 0.000 0.761 173 E HN 0.516 nan 8.360 nan 0.000 0.507 174 A N 1.166 123.888 122.820 -0.163 0.000 2.209 174 A HA 0.074 4.392 4.320 -0.003 0.000 0.212 174 A C 1.939 179.505 177.584 -0.030 0.000 1.158 174 A CA 0.394 52.384 52.037 -0.079 0.000 0.742 174 A CB -0.290 18.663 19.000 -0.079 0.000 0.790 174 A HN 0.294 nan 8.150 nan 0.000 0.472 175 L N -0.178 121.033 121.223 -0.021 0.000 2.592 175 L HA 0.099 4.437 4.340 -0.003 0.000 0.227 175 L C -0.393 176.592 176.870 0.191 0.000 1.127 175 L CA -0.477 54.413 54.840 0.084 0.000 0.884 175 L CB -0.314 41.792 42.059 0.079 0.000 1.065 175 L HN 0.126 nan 8.230 nan 0.000 0.457 176 D N 1.080 121.564 120.400 0.141 0.000 2.449 176 D HA 0.145 4.783 4.640 -0.003 0.000 0.236 176 D C -0.068 176.295 176.300 0.105 0.000 1.149 176 D CA 0.522 54.631 54.000 0.182 0.000 0.878 176 D CB 1.778 42.650 40.800 0.119 0.000 1.198 176 D HN -0.142 nan 8.370 nan 0.000 0.446 177 V N 1.291 121.241 119.914 0.059 0.000 2.709 177 V HA 0.341 4.459 4.120 -0.003 0.000 0.308 177 V C -1.194 174.868 176.094 -0.054 0.000 1.062 177 V CA -0.844 61.419 62.300 -0.062 0.000 0.901 177 V CB 2.090 33.790 31.823 -0.205 0.000 1.003 177 V HN 0.308 nan 8.190 nan 0.000 0.425 178 Q N 3.819 123.584 119.800 -0.058 0.000 2.279 178 Q HA 0.557 4.895 4.340 -0.003 0.000 0.256 178 Q C -0.891 175.083 176.000 -0.044 0.000 0.937 178 Q CA -0.280 55.492 55.803 -0.052 0.000 0.933 178 Q CB 1.939 30.635 28.738 -0.069 0.000 1.189 178 Q HN 0.706 nan 8.270 nan 0.000 0.417 179 V N 1.651 121.571 119.914 0.009 0.000 2.444 179 V HA 0.561 4.679 4.120 -0.003 0.000 0.294 179 V C 0.374 176.545 176.094 0.129 0.000 1.022 179 V CA -0.807 61.539 62.300 0.078 0.000 0.850 179 V CB 1.849 33.751 31.823 0.132 0.000 0.992 179 V HN 0.857 nan 8.190 nan 0.000 0.426 180 G N 3.527 112.397 108.800 0.117 0.000 2.451 180 G HA2 0.789 4.747 3.960 -0.003 0.000 0.303 180 G HA3 0.789 4.747 3.960 -0.003 0.000 0.303 180 G C -1.092 173.994 174.900 0.310 0.000 1.166 180 G CA -0.424 44.669 45.100 -0.013 0.000 0.884 180 G HN 0.661 nan 8.290 nan 0.000 0.514 181 I N -0.687 120.054 120.570 0.286 0.000 2.918 181 I HA 0.564 4.732 4.170 -0.003 0.000 0.301 181 I C 0.678 177.006 176.117 0.351 0.000 1.312 181 I CA 0.539 62.086 61.300 0.412 0.000 1.007 181 I CB 1.899 40.125 38.000 0.376 0.000 1.281 181 I HN 1.269 nan 8.210 nan 0.000 0.440 182 G N 3.644 112.642 108.800 0.329 0.000 2.564 182 G HA2 0.226 4.184 3.960 -0.003 0.000 0.273 182 G HA3 0.226 4.184 3.960 -0.003 0.000 0.273 182 G C 0.615 175.730 174.900 0.359 0.000 1.242 182 G CA 0.040 45.294 45.100 0.256 0.000 0.951 182 G HN 2.267 nan 8.290 nan 0.000 0.564 183 G N -0.784 108.163 108.800 0.245 0.000 2.553 183 G HA2 0.343 4.301 3.960 -0.003 0.000 0.242 183 G HA3 0.343 4.301 3.960 -0.003 0.000 0.242 183 G C 0.010 175.068 174.900 0.263 0.000 1.277 183 G CA 1.695 46.940 45.100 0.242 0.000 0.910 183 G HN 2.515 nan 8.290 nan 0.000 0.576 184 K N -2.240 118.341 120.400 0.301 0.000 2.548 184 K HA 0.706 5.024 4.320 -0.003 0.000 0.282 184 K C -1.316 175.464 176.600 0.301 0.000 1.006 184 K CA -0.969 55.460 56.287 0.237 0.000 0.892 184 K CB 1.884 34.470 32.500 0.143 0.000 1.499 184 K HN 0.931 nan 8.250 nan 0.000 0.433 185 V N 2.097 122.122 119.914 0.185 0.000 2.370 185 V HA 0.224 4.342 4.120 -0.003 0.000 0.283 185 V C 0.472 176.636 176.094 0.116 0.000 1.023 185 V CA -0.571 61.830 62.300 0.169 0.000 0.857 185 V CB 0.964 32.840 31.823 0.088 0.000 0.985 185 V HN 0.994 nan 8.190 nan 0.000 0.443 186 T N 2.320 116.942 114.554 0.114 0.000 2.724 186 T HA 0.094 4.442 4.350 -0.003 0.000 0.324 186 T C 0.819 175.557 174.700 0.062 0.000 1.071 186 T CA -0.372 61.775 62.100 0.079 0.000 1.061 186 T CB 0.492 69.402 68.868 0.069 0.000 0.990 186 T HN 0.488 nan 8.240 nan 0.000 0.543 187 K N 1.086 121.516 120.400 0.049 0.000 2.522 187 K HA 0.042 4.360 4.320 -0.003 0.000 0.194 187 K C 0.687 177.310 176.600 0.037 0.000 1.026 187 K CA 0.308 56.618 56.287 0.039 0.000 1.119 187 K CB -0.292 32.227 32.500 0.032 0.000 0.856 187 K HN 0.822 nan 8.250 nan 0.000 0.513 188 D N -1.561 118.865 120.400 0.044 0.000 2.571 188 D HA 0.124 4.762 4.640 -0.003 0.000 0.239 188 D C 0.857 177.187 176.300 0.051 0.000 1.267 188 D CA -0.005 54.020 54.000 0.041 0.000 0.823 188 D CB 0.178 41.001 40.800 0.037 0.000 1.056 188 D HN 0.095 nan 8.370 nan 0.000 0.494 189 G N 0.933 109.768 108.800 0.059 0.000 2.141 189 G HA2 -0.302 3.657 3.960 -0.003 0.000 0.242 189 G HA3 -0.302 3.657 3.960 -0.003 0.000 0.242 189 G C 0.097 175.054 174.900 0.095 0.000 0.982 189 G CA -0.337 44.804 45.100 0.069 0.000 0.662 189 G HN 0.421 nan 8.290 nan 0.000 0.527 190 R N -0.941 119.621 120.500 0.103 0.000 2.297 190 R HA 0.402 4.740 4.340 -0.003 0.000 0.308 190 R C -0.279 176.149 176.300 0.214 0.000 1.029 190 R CA -0.822 55.357 56.100 0.131 0.000 0.929 190 R CB 0.718 31.072 30.300 0.089 0.000 1.046 190 R HN 0.204 nan 8.270 nan 0.000 0.461 191 W N 4.003 125.320 121.300 0.027 0.000 2.335 191 W HA 0.151 4.810 4.660 -0.002 0.000 0.306 191 W C -0.768 175.776 176.519 0.042 0.000 1.216 191 W CA -0.981 56.386 57.345 0.036 0.000 1.237 191 W CB 0.645 30.128 29.460 0.039 0.000 1.243 191 W HN 0.511 nan 8.180 nan 0.000 0.493 192 E N 8.003 128.254 120.200 0.086 0.000 2.121 192 E HA 0.234 4.582 4.350 -0.003 0.000 0.255 192 E C -2.161 174.328 176.600 -0.186 0.000 0.906 192 E CA -1.851 54.482 56.400 -0.112 0.000 0.745 192 E CB 1.040 30.748 29.700 0.014 0.000 1.155 192 E HN 0.113 nan 8.360 nan 0.000 0.424 193 P HA -0.060 nan 4.420 nan 0.000 0.272 193 P C 0.301 177.579 177.300 -0.036 0.000 1.230 193 P CA -0.008 62.915 63.100 -0.295 0.000 0.788 193 P CB 0.642 32.025 31.700 -0.529 0.000 0.949 194 E N 0.665 120.926 120.200 0.103 0.000 2.452 194 E HA 0.116 4.464 4.350 -0.003 0.000 0.197 194 E C -0.423 176.322 176.600 0.240 0.000 1.022 194 E CA 0.142 56.627 56.400 0.142 0.000 0.890 194 E CB 0.078 29.869 29.700 0.151 0.000 0.918 194 E HN 0.319 nan 8.360 nan 0.000 0.496 195 F N 0.823 120.802 119.950 0.049 0.000 2.628 195 F HA 0.386 4.911 4.527 -0.003 0.000 0.309 195 F C -1.545 174.304 175.800 0.082 0.000 1.108 195 F CA -0.540 57.515 58.000 0.092 0.000 0.971 195 F CB 2.437 41.497 39.000 0.100 0.000 1.279 195 F HN -0.273 nan 8.300 nan 0.000 0.441 196 T N 6.675 121.019 114.554 -0.349 0.000 2.809 196 T HA 0.603 4.951 4.350 -0.003 0.000 0.284 196 T C -0.446 174.004 174.700 -0.416 0.000 0.992 196 T CA -0.361 61.580 62.100 -0.264 0.000 0.957 196 T CB 1.045 69.777 68.868 -0.225 0.000 0.942 196 T HN 0.385 nan 8.240 nan 0.000 0.439 197 I N 2.495 122.992 120.570 -0.123 0.000 2.392 197 I HA 0.313 4.481 4.170 -0.003 0.000 0.295 197 I C 0.448 176.563 176.117 -0.003 0.000 0.985 197 I CA -0.573 60.706 61.300 -0.036 0.000 1.221 197 I CB 1.586 39.665 38.000 0.131 0.000 1.366 197 I HN 0.465 nan 8.210 nan 0.000 0.467 198 T N 4.815 119.353 114.554 -0.027 0.000 2.743 198 T HA 0.380 4.728 4.350 -0.003 0.000 0.292 198 T C 0.303 175.130 174.700 0.213 0.000 0.972 198 T CA -0.544 61.581 62.100 0.042 0.000 0.967 198 T CB 0.973 69.821 68.868 -0.034 0.000 0.926 198 T HN 0.787 nan 8.240 nan 0.000 0.459 199 G N 2.931 111.920 108.800 0.314 0.000 2.338 199 G HA2 0.490 4.448 3.960 -0.003 0.000 0.298 199 G HA3 0.490 4.448 3.960 -0.003 0.000 0.298 199 G C -0.616 174.570 174.900 0.476 0.000 1.140 199 G CA -0.539 44.869 45.100 0.513 0.000 0.860 199 G HN 0.619 nan 8.290 nan 0.000 0.470 200 Q N 0.260 120.404 119.800 0.573 0.000 2.312 200 Q HA 0.558 4.896 4.340 -0.003 0.000 0.263 200 Q C -0.255 176.037 176.000 0.486 0.000 0.995 200 Q CA -0.751 55.336 55.803 0.474 0.000 0.853 200 Q CB 2.520 31.431 28.738 0.288 0.000 1.300 200 Q HN 0.656 nan 8.270 nan 0.000 0.448 201 A N 2.536 125.484 122.820 0.214 0.000 2.302 201 A HA 0.395 4.713 4.320 -0.003 0.000 0.295 201 A C -1.506 175.947 177.584 -0.219 0.000 1.235 201 A CA -0.292 51.580 52.037 -0.276 0.000 0.876 201 A CB 0.051 18.792 19.000 -0.431 0.000 1.133 201 A HN 0.673 nan 8.150 nan 0.000 0.533 202 W N 2.128 123.299 121.300 -0.215 0.000 2.361 202 W HA 0.434 5.092 4.660 -0.004 0.000 0.314 202 W C -0.912 175.656 176.519 0.082 0.000 1.041 202 W CA -0.189 57.051 57.345 -0.175 0.000 1.241 202 W CB 1.631 30.742 29.460 -0.581 0.000 1.279 202 W HN 0.559 nan 8.180 nan 0.000 0.436 203 D N 3.637 124.227 120.400 0.317 0.000 2.192 203 D HA 0.474 5.112 4.640 -0.003 0.000 0.246 203 D C -0.479 176.037 176.300 0.359 0.000 1.042 203 D CA -0.392 53.746 54.000 0.230 0.000 0.847 203 D CB 1.844 42.675 40.800 0.051 0.000 1.186 203 D HN 0.144 nan 8.370 nan 0.000 0.461 204 L N 3.094 124.411 121.223 0.156 0.000 2.325 204 L HA 0.439 4.777 4.340 -0.003 0.000 0.278 204 L C -2.301 174.569 176.870 0.000 0.000 1.023 204 L CA -1.922 52.949 54.840 0.053 0.000 0.811 204 L CB 2.149 44.158 42.059 -0.084 0.000 1.249 204 L HN 0.088 nan 8.230 nan 0.000 0.431 205 P HA 0.184 nan 4.420 nan 0.000 0.292 205 P C -0.886 176.344 177.300 -0.115 0.000 1.287 205 P CA -0.389 62.694 63.100 -0.029 0.000 0.800 205 P CB 1.535 33.252 31.700 0.027 0.000 0.945 206 V N 4.628 124.480 119.914 -0.103 0.000 2.333 206 V HA 0.160 4.278 4.120 -0.003 0.000 0.274 206 V C 0.435 176.463 176.094 -0.109 0.000 1.028 206 V CA -0.653 61.577 62.300 -0.117 0.000 0.851 206 V CB 1.370 33.137 31.823 -0.093 0.000 1.000 206 V HN 0.266 nan 8.190 nan 0.000 0.456 207 V N 4.683 124.510 119.914 -0.145 0.000 2.406 207 V HA 0.535 4.653 4.120 -0.003 0.000 0.272 207 V C 1.096 177.124 176.094 -0.109 0.000 1.043 207 V CA -0.219 61.994 62.300 -0.146 0.000 0.915 207 V CB 1.265 32.961 31.823 -0.211 0.000 0.988 207 V HN 0.914 nan 8.190 nan 0.000 0.466 208 G N 2.674 111.418 108.800 -0.092 0.000 2.569 208 G HA2 0.247 4.205 3.960 -0.003 0.000 0.249 208 G HA3 0.247 4.205 3.960 -0.003 0.000 0.249 208 G C -0.757 174.118 174.900 -0.042 0.000 1.216 208 G CA -0.288 44.781 45.100 -0.052 0.000 0.845 208 G HN 0.662 nan 8.290 nan 0.000 0.568 209 Y N 2.126 122.356 120.300 -0.117 0.000 2.537 209 Y HA 0.187 4.735 4.550 -0.003 0.000 0.339 209 Y C 1.323 177.150 175.900 -0.122 0.000 1.066 209 Y CA -0.301 57.721 58.100 -0.129 0.000 1.357 209 Y CB 0.297 38.679 38.460 -0.129 0.000 1.175 209 Y HN 0.629 nan 8.280 nan 0.000 0.525 210 R N 2.846 122.991 120.500 -0.591 0.000 3.722 210 R HA -0.271 4.067 4.340 -0.003 0.000 0.284 210 R C -0.102 176.046 176.300 -0.253 0.000 1.165 210 R CA 1.158 56.959 56.100 -0.498 0.000 0.779 210 R CB -2.460 27.400 30.300 -0.733 0.000 1.179 210 R HN 0.883 nan 8.270 nan 0.000 0.491 211 N N -2.215 116.374 118.700 -0.185 0.000 2.118 211 N HA 0.106 4.844 4.740 -0.003 0.000 0.226 211 N C 0.989 176.423 175.510 -0.128 0.000 1.305 211 N CA 0.662 53.636 53.050 -0.127 0.000 0.890 211 N CB 0.423 38.855 38.487 -0.091 0.000 1.118 211 N HN 0.275 nan 8.380 nan 0.000 0.511 212 G N 0.136 108.851 108.800 -0.141 0.000 2.189 212 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.267 212 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.267 212 G C -0.256 174.558 174.900 -0.143 0.000 0.975 212 G CA 0.514 45.536 45.100 -0.130 0.000 0.644 212 G HN 0.317 nan 8.290 nan 0.000 0.537 213 V N 0.746 120.573 119.914 -0.145 0.000 2.614 213 V HA 0.637 4.755 4.120 -0.003 0.000 0.291 213 V C 0.668 176.703 176.094 -0.097 0.000 1.049 213 V CA 0.478 62.693 62.300 -0.142 0.000 1.038 213 V CB 1.419 33.169 31.823 -0.121 0.000 0.980 213 V HN 1.393 nan 8.190 nan 0.000 0.481 214 A N 5.748 128.535 122.820 -0.055 0.000 2.402 214 A HA 0.768 5.086 4.320 -0.003 0.000 0.291 214 A C -0.695 176.899 177.584 0.016 0.000 1.051 214 A CA -0.727 51.292 52.037 -0.029 0.000 0.716 214 A CB 1.385 20.379 19.000 -0.010 0.000 1.223 214 A HN 0.824 nan 8.150 nan 0.000 0.425 215 Q N 2.115 121.910 119.800 -0.008 0.000 2.456 215 Q HA 0.737 5.075 4.340 -0.003 0.000 0.283 215 Q C -2.980 172.997 176.000 -0.039 0.000 1.084 215 Q CA -2.361 53.446 55.803 0.007 0.000 0.801 215 Q CB 2.667 31.414 28.738 0.016 0.000 1.434 215 Q HN 0.423 nan 8.270 nan 0.000 0.419 216 P HA 0.186 nan 4.420 nan 0.000 0.288 216 P C -1.166 176.019 177.300 -0.192 0.000 1.267 216 P CA -0.636 62.401 63.100 -0.104 0.000 0.815 216 P CB 0.810 32.444 31.700 -0.110 0.000 0.989 217 L N 3.567 124.662 121.223 -0.213 0.000 2.255 217 L HA 0.443 4.782 4.340 -0.003 0.000 0.289 217 L C 0.153 176.841 176.870 -0.304 0.000 1.046 217 L CA -0.499 54.128 54.840 -0.354 0.000 0.816 217 L CB 0.158 41.976 42.059 -0.401 0.000 1.197 217 L HN 0.295 nan 8.230 nan 0.000 0.427 218 R N 5.617 125.864 120.500 -0.421 0.000 2.198 218 R HA 0.554 4.892 4.340 -0.003 0.000 0.339 218 R C -1.493 174.537 176.300 -0.451 0.000 1.020 218 R CA -0.399 55.437 56.100 -0.441 0.000 0.864 218 R CB 0.417 30.358 30.300 -0.599 0.000 1.105 218 R HN 0.769 nan 8.270 nan 0.000 0.463 219 L N 5.671 126.725 121.223 -0.282 0.000 2.276 219 L HA 0.411 4.749 4.340 -0.003 0.000 0.286 219 L C -0.674 176.127 176.870 -0.114 0.000 1.024 219 L CA -0.801 53.965 54.840 -0.123 0.000 0.826 219 L CB 0.994 43.123 42.059 0.117 0.000 1.211 219 L HN 0.558 nan 8.230 nan 0.000 0.422 220 W N 2.956 124.352 121.300 0.161 0.000 2.238 220 W HA 0.375 5.033 4.660 -0.004 0.000 0.321 220 W C 0.373 177.070 176.519 0.297 0.000 1.293 220 W CA -0.088 57.376 57.345 0.198 0.000 1.204 220 W CB 0.641 30.082 29.460 -0.030 0.000 1.167 220 W HN 0.432 nan 8.180 nan 0.000 0.553 221 Q N 2.264 122.415 119.800 0.585 0.000 2.340 221 Q HA 0.657 4.995 4.340 -0.003 0.000 0.268 221 Q C -0.839 175.375 176.000 0.356 0.000 1.031 221 Q CA -0.749 55.242 55.803 0.313 0.000 0.804 221 Q CB 1.684 30.427 28.738 0.009 0.000 1.286 221 Q HN 0.597 nan 8.270 nan 0.000 0.448 222 A N 2.564 125.402 122.820 0.030 0.000 2.301 222 A HA 0.694 5.012 4.320 -0.003 0.000 0.298 222 A C -0.231 177.322 177.584 -0.052 0.000 1.185 222 A CA -0.002 51.899 52.037 -0.227 0.000 0.830 222 A CB 0.726 19.256 19.000 -0.782 0.000 1.112 222 A HN 0.795 nan 8.150 nan 0.000 0.508 223 T N -0.676 113.890 114.554 0.019 0.000 2.812 223 T HA 0.609 4.957 4.350 -0.003 0.000 0.294 223 T C -0.873 173.867 174.700 0.066 0.000 1.159 223 T CA -0.643 61.487 62.100 0.050 0.000 1.008 223 T CB 1.500 70.402 68.868 0.056 0.000 1.289 223 T HN 0.739 nan 8.240 nan 0.000 0.514 224 H N -0.704 118.363 119.070 -0.006 0.000 2.637 224 H HA 0.643 5.196 4.556 -0.003 0.000 0.363 224 H C 0.955 176.235 175.328 -0.080 0.000 1.131 224 H CA -0.109 55.908 56.048 -0.052 0.000 1.183 224 H CB 2.230 31.982 29.762 -0.017 0.000 1.637 224 H HN 0.876 nan 8.280 nan 0.000 0.531 225 A N 3.700 126.242 122.820 -0.462 0.000 1.972 225 A HA -0.106 4.212 4.320 -0.003 0.000 0.219 225 A C 0.402 177.700 177.584 -0.476 0.000 1.169 225 A CA 1.082 52.873 52.037 -0.412 0.000 0.635 225 A CB -0.032 18.676 19.000 -0.486 0.000 0.810 225 A HN 0.674 nan 8.150 nan 0.000 0.446 226 H N -1.160 118.123 119.070 0.354 0.000 2.423 226 H HA 0.213 4.767 4.556 -0.003 0.000 0.237 226 H C -2.161 173.334 175.328 0.279 0.000 1.391 226 H CA -1.504 54.716 56.048 0.288 0.000 1.453 226 H CB 0.792 30.680 29.762 0.210 0.000 1.484 226 H HN 0.336 nan 8.280 nan 0.000 0.505 227 P HA -0.077 nan 4.420 nan 0.000 0.229 227 P C 0.171 177.619 177.300 0.247 0.000 1.160 227 P CA 0.637 63.867 63.100 0.218 0.000 0.777 227 P CB 0.460 32.277 31.700 0.195 0.000 0.814 228 F N 0.831 120.837 119.950 0.092 0.000 2.529 228 F HA 0.492 5.017 4.527 -0.003 0.000 0.320 228 F C -0.912 174.936 175.800 0.081 0.000 1.118 228 F CA -1.307 56.739 58.000 0.075 0.000 0.915 228 F CB 1.578 40.601 39.000 0.039 0.000 1.161 228 F HN -0.368 nan 8.300 nan 0.000 0.445 229 D N 6.204 126.269 120.400 -0.557 0.000 2.392 229 D HA 0.123 4.761 4.640 -0.003 0.000 0.228 229 D C 0.533 176.457 176.300 -0.627 0.000 1.074 229 D CA -0.255 53.509 54.000 -0.393 0.000 0.838 229 D CB 1.638 42.308 40.800 -0.217 0.000 1.067 229 D HN 0.706 nan 8.370 nan 0.000 0.511 230 L N 3.993 125.019 121.223 -0.328 0.000 2.156 230 L HA -0.053 4.285 4.340 -0.003 0.000 0.208 230 L C 1.914 178.783 176.870 -0.003 0.000 1.095 230 L CA 1.745 56.526 54.840 -0.099 0.000 0.770 230 L CB -0.485 41.657 42.059 0.138 0.000 0.914 230 L HN 0.386 nan 8.230 nan 0.000 0.439 231 T N -0.459 114.073 114.554 -0.037 0.000 2.777 231 T HA -0.169 4.179 4.350 -0.003 0.000 0.266 231 T C 1.870 176.559 174.700 -0.019 0.000 1.040 231 T CA 1.627 63.723 62.100 -0.006 0.000 1.141 231 T CB -0.079 68.778 68.868 -0.019 0.000 0.868 231 T HN 0.351 nan 8.240 nan 0.000 0.444 232 K N 0.147 120.507 120.400 -0.067 0.000 2.057 232 K HA -0.001 4.317 4.320 -0.003 0.000 0.206 232 K C 1.984 178.553 176.600 -0.051 0.000 1.050 232 K CA 1.016 57.255 56.287 -0.079 0.000 0.935 232 K CB -0.329 32.110 32.500 -0.102 0.000 0.715 232 K HN 0.250 nan 8.250 nan 0.000 0.439 233 F N 2.699 122.557 119.950 -0.153 0.000 2.069 233 F HA -0.227 4.298 4.527 -0.003 0.000 0.298 233 F C 1.862 177.732 175.800 0.116 0.000 1.113 233 F CA 1.502 59.530 58.000 0.048 0.000 1.214 233 F CB -0.128 38.953 39.000 0.135 0.000 0.978 233 F HN 0.028 nan 8.300 nan 0.000 0.474 234 N N 0.278 119.162 118.700 0.307 0.000 2.520 234 N HA -0.128 4.610 4.740 -0.003 0.000 0.185 234 N C 0.771 176.315 175.510 0.056 0.000 1.068 234 N CA 1.060 54.242 53.050 0.220 0.000 0.911 234 N CB -0.425 38.180 38.487 0.196 0.000 0.961 234 N HN 0.366 nan 8.380 nan 0.000 0.446 235 D N -0.971 119.412 120.400 -0.029 0.000 2.339 235 D HA 0.176 4.814 4.640 -0.003 0.000 0.217 235 D C 1.182 177.343 176.300 -0.232 0.000 1.050 235 D CA 0.278 54.219 54.000 -0.098 0.000 0.856 235 D CB 0.190 40.935 40.800 -0.091 0.000 0.922 235 D HN 0.285 nan 8.370 nan 0.000 0.518 236 G N 1.280 109.832 108.800 -0.413 0.000 2.175 236 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.244 236 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.244 236 G C 0.116 174.280 174.900 -1.227 0.000 0.982 236 G CA -0.092 44.470 45.100 -0.896 0.000 0.641 236 G HN 0.280 nan 8.290 nan 0.000 0.527 237 D N 0.422 120.382 120.400 -0.734 0.000 2.557 237 D HA 0.483 5.121 4.640 -0.003 0.000 0.236 237 D C 1.421 177.512 176.300 -0.348 0.000 1.154 237 D CA -0.874 52.820 54.000 -0.511 0.000 0.985 237 D CB -0.429 40.220 40.800 -0.252 0.000 1.010 237 D HN 0.063 nan 8.370 nan 0.000 0.516 238 F N 1.103 120.968 119.950 -0.141 0.000 2.202 238 F HA -0.126 4.399 4.527 -0.003 0.000 0.301 238 F C 1.975 177.837 175.800 0.104 0.000 1.082 238 F CA 0.369 58.333 58.000 -0.060 0.000 1.313 238 F CB -0.536 38.393 39.000 -0.119 0.000 1.024 238 F HN 0.329 nan 8.300 nan 0.000 0.495 239 L N 0.319 121.653 121.223 0.185 0.000 2.102 239 L HA 0.038 4.376 4.340 -0.003 0.000 0.202 239 L C 2.348 179.277 176.870 0.099 0.000 1.076 239 L CA 1.494 56.422 54.840 0.148 0.000 0.761 239 L CB -0.591 41.525 42.059 0.095 0.000 0.921 239 L HN -0.095 nan 8.230 nan 0.000 0.444 240 R N -0.216 120.305 120.500 0.035 0.000 2.193 240 R HA -0.049 4.289 4.340 -0.003 0.000 0.229 240 R C 2.168 178.471 176.300 0.006 0.000 1.110 240 R CA 0.912 57.018 56.100 0.009 0.000 0.988 240 R CB -0.574 29.709 30.300 -0.028 0.000 0.871 240 R HN 0.517 nan 8.270 nan 0.000 0.458 241 A N 1.392 124.224 122.820 0.020 0.000 2.024 241 A HA -0.169 4.149 4.320 -0.003 0.000 0.220 241 A C 1.540 179.112 177.584 -0.020 0.000 1.164 241 A CA 1.360 53.358 52.037 -0.065 0.000 0.643 241 A CB -0.087 18.908 19.000 -0.009 0.000 0.806 241 A HN 0.172 nan 8.150 nan 0.000 0.451 242 E N -0.830 119.448 120.200 0.129 0.000 2.479 242 E HA -0.036 4.312 4.350 -0.003 0.000 0.193 242 E C 1.725 178.392 176.600 0.112 0.000 1.049 242 E CA 0.485 56.996 56.400 0.185 0.000 0.870 242 E CB 0.050 29.885 29.700 0.224 0.000 0.944 242 E HN 0.807 nan 8.360 nan 0.000 0.492 243 Q N 1.647 121.485 119.800 0.062 0.000 2.061 243 Q HA -0.249 4.089 4.340 -0.003 0.000 0.204 243 Q C 2.156 178.181 176.000 0.041 0.000 0.984 243 Q CA 2.096 57.923 55.803 0.040 0.000 0.846 243 Q CB -0.077 28.669 28.738 0.012 0.000 0.902 243 Q HN 0.276 nan 8.270 nan 0.000 0.421 244 Q N -1.204 118.615 119.800 0.032 0.000 2.084 244 Q HA -0.121 4.217 4.340 -0.003 0.000 0.202 244 Q C 1.874 177.913 176.000 0.065 0.000 0.978 244 Q CA 1.721 57.536 55.803 0.020 0.000 0.844 244 Q CB -0.569 28.092 28.738 -0.128 0.000 0.898 244 Q HN 0.537 nan 8.270 nan 0.000 0.426 245 G N 0.487 109.339 108.800 0.086 0.000 2.402 245 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.216 245 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.216 245 G C 1.347 176.327 174.900 0.135 0.000 1.162 245 G CA 0.739 45.925 45.100 0.143 0.000 0.777 245 G HN 0.367 nan 8.290 nan 0.000 0.539 246 I N 0.993 121.627 120.570 0.106 0.000 2.315 246 I HA -0.132 4.036 4.170 -0.003 0.000 0.248 246 I C 2.375 178.531 176.117 0.064 0.000 1.117 246 I CA 0.572 61.922 61.300 0.083 0.000 1.404 246 I CB -0.110 37.935 38.000 0.074 0.000 1.071 246 I HN 0.031 nan 8.210 nan 0.000 0.419 247 N N 0.842 119.574 118.700 0.054 0.000 2.223 247 N HA -0.130 4.608 4.740 -0.003 0.000 0.185 247 N C 1.768 177.319 175.510 0.068 0.000 1.016 247 N CA 1.538 54.567 53.050 -0.035 0.000 0.863 247 N CB -0.202 38.146 38.487 -0.232 0.000 0.983 247 N HN 0.400 nan 8.380 nan 0.000 0.429 248 A N 0.909 123.888 122.820 0.265 0.000 1.861 248 A HA 0.015 4.333 4.320 -0.003 0.000 0.212 248 A C 1.976 179.588 177.584 0.047 0.000 1.199 248 A CA 0.786 52.976 52.037 0.255 0.000 0.613 248 A CB -0.387 18.798 19.000 0.308 0.000 0.846 248 A HN 0.232 nan 8.150 nan 0.000 0.446 249 E N 0.446 120.680 120.200 0.057 0.000 2.265 249 E HA -0.215 4.133 4.350 -0.003 0.000 0.196 249 E C 1.829 178.434 176.600 0.009 0.000 0.996 249 E CA 1.299 57.704 56.400 0.009 0.000 0.832 249 E CB -0.196 29.524 29.700 0.032 0.000 0.756 249 E HN 0.809 nan 8.360 nan 0.000 0.491 250 K N 1.035 121.451 120.400 0.026 0.000 2.280 250 K HA -0.134 4.184 4.320 -0.003 0.000 0.202 250 K C 1.803 178.426 176.600 0.039 0.000 1.047 250 K CA 1.010 57.323 56.287 0.043 0.000 0.942 250 K CB -0.181 32.340 32.500 0.035 0.000 0.739 250 K HN 0.153 nan 8.250 nan 0.000 0.457 251 L N 1.676 122.884 121.223 -0.026 0.000 2.275 251 L HA -0.059 4.279 4.340 -0.003 0.000 0.215 251 L C 1.288 178.188 176.870 0.049 0.000 1.119 251 L CA 1.458 56.280 54.840 -0.031 0.000 0.790 251 L CB -0.514 41.398 42.059 -0.245 0.000 0.919 251 L HN 0.477 nan 8.230 nan 0.000 0.443 252 T N -5.579 108.994 114.554 0.032 0.000 3.331 252 T HA 0.204 4.552 4.350 -0.003 0.000 0.282 252 T C 1.175 175.979 174.700 0.173 0.000 1.010 252 T CA -0.580 61.575 62.100 0.092 0.000 0.928 252 T CB 0.470 69.331 68.868 -0.010 0.000 1.154 252 T HN -0.041 nan 8.240 nan 0.000 0.516 253 K N 0.937 121.466 120.400 0.214 0.000 2.099 253 K HA 0.277 4.595 4.320 -0.003 0.000 0.203 253 K C 0.472 177.279 176.600 0.345 0.000 1.047 253 K CA 0.638 57.079 56.287 0.255 0.000 0.963 253 K CB 0.341 32.992 32.500 0.251 0.000 0.759 253 K HN 0.310 nan 8.250 nan 0.000 0.451 254 V N 2.045 122.131 119.914 0.287 0.000 2.686 254 V HA 0.206 4.324 4.120 -0.003 0.000 0.306 254 V C -0.831 175.182 176.094 -0.134 0.000 1.065 254 V CA -1.190 61.182 62.300 0.120 0.000 0.894 254 V CB 2.069 33.966 31.823 0.124 0.000 1.004 254 V HN 0.084 nan 8.190 nan 0.000 0.424 255 L N 5.720 126.566 121.223 -0.629 0.000 2.349 255 L HA 0.521 4.859 4.340 -0.003 0.000 0.275 255 L C -0.346 176.315 176.870 -0.349 0.000 1.115 255 L CA 0.378 54.614 54.840 -1.006 0.000 0.820 255 L CB -0.255 41.012 42.059 -1.320 0.000 1.135 255 L HN 0.703 nan 8.230 nan 0.000 0.445 256 Y N 3.561 123.783 120.300 -0.130 0.000 2.981 256 Y HA -0.181 4.368 4.550 -0.003 0.000 0.204 256 Y C -1.966 173.945 175.900 0.020 0.000 1.265 256 Y CA -0.020 58.064 58.100 -0.027 0.000 0.941 256 Y CB -2.449 35.999 38.460 -0.020 0.000 1.254 256 Y HN 0.541 nan 8.280 nan 0.000 0.469 257 P HA -0.006 nan 4.420 nan 0.000 0.269 257 P C 0.493 177.863 177.300 0.118 0.000 1.215 257 P CA -0.149 63.025 63.100 0.124 0.000 0.780 257 P CB 0.780 32.544 31.700 0.107 0.000 0.898 258 N N 2.424 121.176 118.700 0.087 0.000 2.411 258 N HA -0.095 4.643 4.740 -0.003 0.000 0.265 258 N C 0.217 175.762 175.510 0.059 0.000 1.266 258 N CA 0.401 53.486 53.050 0.058 0.000 0.889 258 N CB -0.177 38.333 38.487 0.038 0.000 1.069 258 N HN 0.357 nan 8.380 nan 0.000 0.476 259 D N 1.778 122.207 120.400 0.049 0.000 2.559 259 D HA 0.059 4.697 4.640 -0.003 0.000 0.234 259 D C 0.322 176.649 176.300 0.044 0.000 1.226 259 D CA -0.182 53.853 54.000 0.059 0.000 0.830 259 D CB -0.966 39.883 40.800 0.081 0.000 1.028 259 D HN 0.519 nan 8.370 nan 0.000 0.492 260 N N 0.131 118.851 118.700 0.033 0.000 2.223 260 N HA -0.059 4.679 4.740 -0.003 0.000 0.185 260 N C 0.720 176.281 175.510 0.087 0.000 1.016 260 N CA 0.831 53.909 53.050 0.047 0.000 0.863 260 N CB 0.217 38.737 38.487 0.055 0.000 0.983 260 N HN 0.252 nan 8.380 nan 0.000 0.429 261 A N 0.028 122.906 122.820 0.097 0.000 2.311 261 A HA 0.302 4.620 4.320 -0.003 0.000 0.334 261 A C 0.545 178.231 177.584 0.170 0.000 1.139 261 A CA -0.621 51.496 52.037 0.134 0.000 0.830 261 A CB 0.593 19.665 19.000 0.120 0.000 1.234 261 A HN 0.190 nan 8.150 nan 0.000 0.483 262 F N 0.683 120.671 119.950 0.063 0.000 2.126 262 F HA -0.185 4.339 4.527 -0.004 0.000 0.299 262 F C 1.897 177.745 175.800 0.080 0.000 1.096 262 F CA 2.650 60.695 58.000 0.074 0.000 1.255 262 F CB 0.009 39.044 39.000 0.060 0.000 0.997 262 F HN 0.754 nan 8.300 nan 0.000 0.479 263 E N 0.134 120.376 120.200 0.070 0.000 2.160 263 E HA -0.086 4.262 4.350 -0.003 0.000 0.195 263 E C 2.423 178.966 176.600 -0.095 0.000 0.991 263 E CA 1.327 57.693 56.400 -0.057 0.000 0.810 263 E CB -0.942 28.799 29.700 0.069 0.000 0.742 263 E HN 0.492 nan 8.360 nan 0.000 0.466 264 G N 0.301 109.090 108.800 -0.018 0.000 2.408 264 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.217 264 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.217 264 G C 1.388 176.302 174.900 0.024 0.000 1.150 264 G CA 0.735 45.846 45.100 0.019 0.000 0.776 264 G HN 0.210 nan 8.290 nan 0.000 0.542 265 K N 0.211 120.609 120.400 -0.004 0.000 2.057 265 K HA -0.028 4.290 4.320 -0.003 0.000 0.206 265 K C 2.401 179.015 176.600 0.024 0.000 1.050 265 K CA 1.208 57.563 56.287 0.112 0.000 0.935 265 K CB -0.106 32.469 32.500 0.125 0.000 0.715 265 K HN 0.233 nan 8.250 nan 0.000 0.439 266 K N 1.101 121.321 120.400 -0.299 0.000 2.097 266 K HA -0.132 4.186 4.320 -0.003 0.000 0.205 266 K C 2.140 178.633 176.600 -0.178 0.000 1.050 266 K CA 0.715 56.794 56.287 -0.347 0.000 0.938 266 K CB -0.053 32.123 32.500 -0.540 0.000 0.718 266 K HN -0.016 nan 8.250 nan 0.000 0.442 267 L N 1.588 122.751 121.223 -0.100 0.000 2.042 267 L HA -0.163 4.175 4.340 -0.003 0.000 0.210 267 L C 2.101 178.991 176.870 0.034 0.000 1.076 267 L CA 1.656 56.484 54.840 -0.020 0.000 0.749 267 L CB -0.326 41.742 42.059 0.015 0.000 0.893 267 L HN 0.106 nan 8.230 nan 0.000 0.432 268 R N -1.054 119.498 120.500 0.086 0.000 2.081 268 R HA -0.143 4.195 4.340 -0.003 0.000 0.235 268 R C 2.181 178.534 176.300 0.089 0.000 1.131 268 R CA 1.528 57.734 56.100 0.177 0.000 0.960 268 R CB -0.682 29.822 30.300 0.340 0.000 0.856 268 R HN 0.335 nan 8.270 nan 0.000 0.436 269 L N 0.929 122.041 121.223 -0.186 0.000 2.046 269 L HA -0.133 4.205 4.340 -0.003 0.000 0.208 269 L C 2.074 178.843 176.870 -0.169 0.000 1.077 269 L CA 1.710 56.252 54.840 -0.496 0.000 0.747 269 L CB -0.299 41.093 42.059 -1.111 0.000 0.896 269 L HN 0.156 nan 8.230 nan 0.000 0.432 270 M N -1.452 118.098 119.600 -0.083 0.000 2.159 270 M HA -0.240 4.238 4.480 -0.003 0.000 0.263 270 M C 2.258 178.658 176.300 0.166 0.000 1.063 270 M CA 1.684 57.019 55.300 0.059 0.000 1.110 270 M CB -0.432 32.191 32.600 0.038 0.000 1.374 270 M HN 0.361 nan 8.290 nan 0.000 0.411 271 Q N 0.137 120.027 119.800 0.150 0.000 2.050 271 Q HA -0.230 4.108 4.340 -0.003 0.000 0.202 271 Q C 2.067 178.220 176.000 0.255 0.000 0.980 271 Q CA 1.556 57.497 55.803 0.230 0.000 0.840 271 Q CB -0.200 28.674 28.738 0.227 0.000 0.898 271 Q HN 0.618 nan 8.270 nan 0.000 0.424 272 Q N -0.578 119.340 119.800 0.197 0.000 2.084 272 Q HA -0.204 4.134 4.340 -0.003 0.000 0.202 272 Q C 1.861 177.945 176.000 0.140 0.000 0.978 272 Q CA 1.424 57.338 55.803 0.185 0.000 0.844 272 Q CB -0.237 28.620 28.738 0.199 0.000 0.898 272 Q HN 0.381 nan 8.270 nan 0.000 0.426 273 Y N 0.583 120.889 120.300 0.011 0.000 2.145 273 Y HA -0.288 4.260 4.550 -0.004 0.000 0.286 273 Y C 1.944 177.858 175.900 0.024 0.000 1.145 273 Y CA 1.411 59.491 58.100 -0.034 0.000 1.148 273 Y CB -0.514 37.893 38.460 -0.088 0.000 0.981 273 Y HN 0.136 nan 8.280 nan 0.000 0.507 274 F N 1.235 121.068 119.950 -0.195 0.000 2.095 274 F HA -0.257 4.268 4.527 -0.003 0.000 0.298 274 F C 2.603 178.217 175.800 -0.311 0.000 1.104 274 F CA 2.441 60.282 58.000 -0.266 0.000 1.232 274 F CB -0.952 38.020 39.000 -0.047 0.000 0.987 274 F HN 0.241 nan 8.300 nan 0.000 0.475 275 Q N -0.541 119.106 119.800 -0.255 0.000 2.096 275 Q HA -0.220 4.118 4.340 -0.003 0.000 0.204 275 Q C 2.321 178.091 176.000 -0.384 0.000 0.982 275 Q CA 2.324 57.968 55.803 -0.265 0.000 0.850 275 Q CB -0.483 28.307 28.738 0.086 0.000 0.901 275 Q HN 0.563 nan 8.270 nan 0.000 0.422 276 C N -0.252 118.871 119.300 -0.295 0.000 2.475 276 C HA 0.101 4.559 4.460 -0.003 0.000 0.279 276 C C 2.794 177.548 174.990 -0.394 0.000 1.322 276 C CA 0.508 59.377 59.018 -0.248 0.000 1.734 276 C CB -1.077 26.609 27.740 -0.090 0.000 2.005 276 C HN 0.702 nan 8.230 nan 0.000 0.495 277 A N -0.554 121.888 122.820 -0.630 0.000 1.877 277 A HA -0.215 4.103 4.320 -0.003 0.000 0.216 277 A C 2.144 179.362 177.584 -0.610 0.000 1.186 277 A CA 2.240 53.923 52.037 -0.591 0.000 0.620 277 A CB -1.146 17.358 19.000 -0.828 0.000 0.822 277 A HN 0.648 nan 8.150 nan 0.000 0.443 278 C N -0.728 117.987 119.300 -0.975 0.000 2.429 278 C HA -0.055 4.403 4.460 -0.003 0.000 0.277 278 C C 3.299 177.664 174.990 -1.040 0.000 1.262 278 C CA 1.349 59.535 59.018 -1.386 0.000 1.733 278 C CB -1.238 24.882 27.740 -2.701 0.000 2.010 278 C HN 0.619 nan 8.230 nan 0.000 0.483 279 S N 0.587 115.816 115.700 -0.785 0.000 2.368 279 S HA -0.123 4.345 4.470 -0.003 0.000 0.224 279 S C 1.909 176.255 174.600 -0.423 0.000 1.029 279 S CA 1.340 59.218 58.200 -0.536 0.000 0.988 279 S CB -0.353 62.528 63.200 -0.532 0.000 0.838 279 S HN 0.476 nan 8.310 nan 0.000 0.462 280 V N 2.061 121.800 119.914 -0.291 0.000 2.407 280 V HA -0.194 3.924 4.120 -0.003 0.000 0.248 280 V C 2.619 178.639 176.094 -0.123 0.000 1.055 280 V CA 1.673 63.882 62.300 -0.152 0.000 1.049 280 V CB -1.142 30.649 31.823 -0.053 0.000 0.662 280 V HN 0.538 nan 8.190 nan 0.000 0.455 281 A N -0.089 122.633 122.820 -0.162 0.000 1.933 281 A HA -0.286 4.032 4.320 -0.003 0.000 0.218 281 A C 2.038 179.604 177.584 -0.029 0.000 1.175 281 A CA 2.139 54.118 52.037 -0.096 0.000 0.628 281 A CB -0.621 18.291 19.000 -0.147 0.000 0.814 281 A HN 0.604 nan 8.150 nan 0.000 0.444 282 D N -0.440 119.958 120.400 -0.003 0.000 2.149 282 D HA -0.067 4.571 4.640 -0.003 0.000 0.201 282 D C 1.686 178.064 176.300 0.130 0.000 0.972 282 D CA 1.088 55.188 54.000 0.167 0.000 0.835 282 D CB -0.165 40.923 40.800 0.480 0.000 0.966 282 D HN 0.479 nan 8.370 nan 0.000 0.476 283 I N -0.009 120.591 120.570 0.051 0.000 2.252 283 I HA -0.195 3.973 4.170 -0.003 0.000 0.245 283 I C 2.192 178.325 176.117 0.027 0.000 1.102 283 I CA 0.630 61.956 61.300 0.042 0.000 1.385 283 I CB -0.110 37.876 38.000 -0.024 0.000 1.064 283 I HN 0.112 nan 8.210 nan 0.000 0.414 284 L N 0.164 121.392 121.223 0.009 0.000 2.093 284 L HA -0.175 4.163 4.340 -0.003 0.000 0.208 284 L C 2.746 179.677 176.870 0.102 0.000 1.085 284 L CA 1.122 55.985 54.840 0.038 0.000 0.755 284 L CB -0.610 41.459 42.059 0.017 0.000 0.904 284 L HN 0.234 nan 8.230 nan 0.000 0.435 285 R N 0.666 121.212 120.500 0.077 0.000 2.083 285 R HA -0.222 4.116 4.340 -0.003 0.000 0.237 285 R C 2.495 178.856 176.300 0.101 0.000 1.137 285 R CA 1.742 57.896 56.100 0.090 0.000 0.951 285 R CB -0.198 30.142 30.300 0.066 0.000 0.851 285 R HN 0.182 nan 8.270 nan 0.000 0.434 286 R N -0.868 119.675 120.500 0.072 0.000 2.081 286 R HA -0.216 4.122 4.340 -0.003 0.000 0.235 286 R C 2.307 178.614 176.300 0.011 0.000 1.131 286 R CA 2.094 58.205 56.100 0.018 0.000 0.960 286 R CB -0.400 29.892 30.300 -0.014 0.000 0.856 286 R HN 0.389 nan 8.270 nan 0.000 0.436 287 H N -0.419 118.615 119.070 -0.061 0.000 2.293 287 H HA -0.178 4.376 4.556 -0.003 0.000 0.300 287 H C 2.097 177.370 175.328 -0.092 0.000 1.082 287 H CA 2.307 58.294 56.048 -0.103 0.000 1.308 287 H CB -0.358 29.356 29.762 -0.079 0.000 1.375 287 H HN 0.310 nan 8.280 nan 0.000 0.495 288 H N -0.074 118.962 119.070 -0.057 0.000 2.353 288 H HA -0.110 4.444 4.556 -0.003 0.000 0.300 288 H C 2.058 177.307 175.328 -0.132 0.000 1.090 288 H CA 1.369 57.352 56.048 -0.109 0.000 1.327 288 H CB -0.083 29.665 29.762 -0.024 0.000 1.383 288 H HN 0.307 nan 8.280 nan 0.000 0.508 289 L N 0.979 122.140 121.223 -0.104 0.000 2.191 289 L HA -0.066 4.272 4.340 -0.003 0.000 0.212 289 L C 2.468 179.204 176.870 -0.224 0.000 1.103 289 L CA 1.428 56.175 54.840 -0.154 0.000 0.769 289 L CB -1.340 40.684 42.059 -0.058 0.000 0.908 289 L HN 0.312 nan 8.230 nan 0.000 0.438 290 A N -1.292 121.377 122.820 -0.252 0.000 2.238 290 A HA 0.324 4.642 4.320 -0.003 0.000 0.208 290 A C 1.646 179.032 177.584 -0.330 0.000 1.177 290 A CA 0.739 52.611 52.037 -0.274 0.000 0.804 290 A CB -0.423 18.400 19.000 -0.294 0.000 0.823 290 A HN 0.534 nan 8.150 nan 0.000 0.482 291 G N -0.544 108.030 108.800 -0.377 0.000 2.143 291 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.248 291 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.248 291 G C 0.240 174.906 174.900 -0.390 0.000 0.991 291 G CA 0.343 45.229 45.100 -0.356 0.000 0.689 291 G HN 0.667 nan 8.290 nan 0.000 0.522 292 R N -0.235 119.924 120.500 -0.570 0.000 2.532 292 R HA 0.551 4.889 4.340 -0.003 0.000 0.272 292 R C 0.073 176.069 176.300 -0.507 0.000 1.032 292 R CA -0.757 54.931 56.100 -0.688 0.000 1.089 292 R CB 0.648 30.195 30.300 -1.255 0.000 1.098 292 R HN -0.058 nan 8.270 nan 0.000 0.526 293 K N 2.054 122.267 120.400 -0.311 0.000 2.249 293 K HA 0.043 4.361 4.320 -0.003 0.000 0.280 293 K C 0.989 177.573 176.600 -0.028 0.000 1.033 293 K CA -0.394 55.786 56.287 -0.179 0.000 0.946 293 K CB 0.964 33.296 32.500 -0.280 0.000 1.005 293 K HN 0.340 nan 8.250 nan 0.000 0.469 294 L N 3.867 125.108 121.223 0.030 0.000 2.043 294 L HA -0.238 4.100 4.340 -0.003 0.000 0.212 294 L C 2.342 179.208 176.870 -0.006 0.000 1.075 294 L CA 1.997 56.857 54.840 0.033 0.000 0.752 294 L CB -0.804 41.202 42.059 -0.088 0.000 0.891 294 L HN 0.817 nan 8.230 nan 0.000 0.432 295 H N -1.350 117.741 119.070 0.035 0.000 2.545 295 H HA -0.040 4.514 4.556 -0.004 0.000 0.282 295 H C 0.821 176.168 175.328 0.032 0.000 1.020 295 H CA 1.205 57.261 56.048 0.014 0.000 1.243 295 H CB -0.177 29.596 29.762 0.018 0.000 1.377 295 H HN 0.549 nan 8.280 nan 0.000 0.581 296 E N 0.900 120.966 120.200 -0.223 0.000 2.499 296 E HA 0.125 4.473 4.350 -0.003 0.000 0.199 296 E C 1.810 178.467 176.600 0.094 0.000 1.016 296 E CA -0.385 55.988 56.400 -0.044 0.000 0.933 296 E CB 0.558 30.236 29.700 -0.036 0.000 1.050 296 E HN 0.332 nan 8.360 nan 0.000 0.462 297 L N 0.952 122.116 121.223 -0.097 0.000 2.013 297 L HA -0.252 4.086 4.340 -0.003 0.000 0.212 297 L C 2.249 179.005 176.870 -0.190 0.000 1.073 297 L CA 1.866 56.463 54.840 -0.405 0.000 0.753 297 L CB -0.306 41.493 42.059 -0.432 0.000 0.890 297 L HN 0.225 nan 8.230 nan 0.000 0.432 298 A N -1.075 121.644 122.820 -0.168 0.000 2.121 298 A HA -0.187 4.131 4.320 -0.003 0.000 0.218 298 A C 1.687 179.170 177.584 -0.169 0.000 1.154 298 A CA 1.435 53.363 52.037 -0.183 0.000 0.679 298 A CB -0.396 18.475 19.000 -0.214 0.000 0.795 298 A HN 0.511 nan 8.150 nan 0.000 0.458 299 D N -2.035 118.274 120.400 -0.151 0.000 2.347 299 D HA -0.026 4.612 4.640 -0.003 0.000 0.215 299 D C 0.526 176.555 176.300 -0.452 0.000 0.976 299 D CA 1.039 54.858 54.000 -0.302 0.000 0.884 299 D CB 0.040 40.613 40.800 -0.378 0.000 0.915 299 D HN 0.659 nan 8.370 nan 0.000 0.526 300 Y N -0.068 120.218 120.300 -0.023 0.000 2.423 300 Y HA 0.209 4.757 4.550 -0.003 0.000 0.257 300 Y C 0.526 176.440 175.900 0.024 0.000 1.087 300 Y CA -0.113 58.003 58.100 0.026 0.000 1.258 300 Y CB 1.169 39.694 38.460 0.108 0.000 1.237 300 Y HN -0.285 nan 8.280 nan 0.000 0.517 301 E N 0.488 120.741 120.200 0.087 0.000 2.293 301 E HA 0.517 4.865 4.350 -0.003 0.000 0.270 301 E C -1.441 175.139 176.600 -0.034 0.000 0.879 301 E CA -0.656 55.770 56.400 0.043 0.000 0.756 301 E CB 3.290 32.972 29.700 -0.029 0.000 1.208 301 E HN -0.146 nan 8.360 nan 0.000 0.428 302 V N 3.439 123.343 119.914 -0.018 0.000 2.789 302 V HA 0.564 4.682 4.120 -0.003 0.000 0.311 302 V C -1.167 174.917 176.094 -0.017 0.000 1.073 302 V CA -0.658 61.646 62.300 0.007 0.000 0.921 302 V CB 1.653 33.551 31.823 0.124 0.000 1.009 302 V HN 0.594 nan 8.190 nan 0.000 0.426 303 I N 5.105 125.680 120.570 0.007 0.000 2.389 303 I HA 0.463 4.631 4.170 -0.003 0.000 0.288 303 I C -0.700 175.534 176.117 0.195 0.000 0.999 303 I CA -0.616 60.720 61.300 0.059 0.000 1.129 303 I CB 1.862 39.834 38.000 -0.047 0.000 1.288 303 I HN 0.602 nan 8.210 nan 0.000 0.444 304 Q N 6.817 126.713 119.800 0.159 0.000 2.368 304 Q HA 0.466 4.804 4.340 -0.003 0.000 0.256 304 Q C -1.338 174.713 176.000 0.084 0.000 0.980 304 Q CA -0.213 55.700 55.803 0.183 0.000 0.887 304 Q CB 1.089 29.968 28.738 0.235 0.000 1.221 304 Q HN 0.570 nan 8.270 nan 0.000 0.458 305 L N 4.225 125.553 121.223 0.175 0.000 2.260 305 L HA 0.421 4.759 4.340 -0.003 0.000 0.289 305 L C -0.150 176.844 176.870 0.206 0.000 1.057 305 L CA -0.485 54.460 54.840 0.176 0.000 0.811 305 L CB 0.677 42.852 42.059 0.193 0.000 1.184 305 L HN 0.556 nan 8.230 nan 0.000 0.429 306 N N 4.552 123.335 118.700 0.138 0.000 2.439 306 N HA 0.186 4.924 4.740 -0.003 0.000 0.249 306 N C -0.485 175.189 175.510 0.274 0.000 1.003 306 N CA -0.246 52.939 53.050 0.225 0.000 0.942 306 N CB 1.200 39.721 38.487 0.056 0.000 1.115 306 N HN 0.606 nan 8.380 nan 0.000 0.505 307 D N -0.358 120.270 120.400 0.379 0.000 4.136 307 D HA -0.188 4.450 4.640 -0.003 0.000 0.291 307 D C 1.030 177.483 176.300 0.255 0.000 2.238 307 D CA 1.443 55.621 54.000 0.296 0.000 1.141 307 D CB -0.250 40.544 40.800 -0.009 0.000 1.027 307 D HN 0.554 nan 8.370 nan 0.000 1.223 308 T N -3.437 111.133 114.554 0.026 0.000 3.100 308 T HA 0.040 4.388 4.350 -0.003 0.000 0.253 308 T C 1.496 176.253 174.700 0.094 0.000 1.118 308 T CA 1.562 63.680 62.100 0.029 0.000 1.058 308 T CB -0.397 68.482 68.868 0.018 0.000 0.953 308 T HN 0.495 nan 8.240 nan 0.000 0.515 309 H N 2.931 122.139 119.070 0.231 0.000 2.325 309 H HA -0.046 4.508 4.556 -0.002 0.000 0.293 309 H C -0.869 174.577 175.328 0.197 0.000 1.106 309 H CA 1.675 57.872 56.048 0.249 0.000 1.247 309 H CB -1.075 28.845 29.762 0.263 0.000 1.359 309 H HN 0.449 nan 8.280 nan 0.000 0.488 310 P HA 0.129 nan 4.420 nan 0.000 0.259 310 P C 0.382 177.705 177.300 0.039 0.000 1.530 310 P CA 0.326 63.517 63.100 0.151 0.000 1.022 310 P CB 0.525 32.316 31.700 0.152 0.000 1.514 311 T N 0.356 114.930 114.554 0.034 0.000 2.759 311 T HA -0.154 4.194 4.350 -0.003 0.000 0.269 311 T C 1.531 176.173 174.700 -0.097 0.000 1.042 311 T CA 1.097 63.153 62.100 -0.075 0.000 1.140 311 T CB -0.682 68.174 68.868 -0.020 0.000 0.864 311 T HN 0.076 nan 8.240 nan 0.000 0.455 312 I N 1.474 122.044 120.570 -0.001 0.000 2.850 312 I HA -0.062 4.106 4.170 -0.003 0.000 0.266 312 I C 2.290 178.422 176.117 0.024 0.000 1.257 312 I CA 0.254 61.567 61.300 0.022 0.000 1.465 312 I CB -0.466 37.559 38.000 0.041 0.000 1.091 312 I HN 0.177 nan 8.210 nan 0.000 0.467 313 A N 0.252 123.036 122.820 -0.060 0.000 1.972 313 A HA -0.179 4.139 4.320 -0.003 0.000 0.219 313 A C 2.261 179.744 177.584 -0.169 0.000 1.169 313 A CA 1.794 53.798 52.037 -0.055 0.000 0.635 313 A CB -0.799 18.182 19.000 -0.032 0.000 0.810 313 A HN 0.494 nan 8.150 nan 0.000 0.446 314 I N 0.322 120.596 120.570 -0.492 0.000 2.113 314 I HA -0.157 4.011 4.170 -0.003 0.000 0.238 314 I C -0.410 175.674 176.117 -0.055 0.000 1.070 314 I CA 1.584 62.577 61.300 -0.512 0.000 1.332 314 I CB -1.035 36.622 38.000 -0.572 0.000 1.044 314 I HN 0.221 nan 8.210 nan 0.000 0.402 315 P HA -0.193 nan 4.420 nan 0.000 0.218 315 P C 1.308 178.707 177.300 0.166 0.000 1.149 315 P CA 1.527 64.709 63.100 0.137 0.000 0.817 315 P CB -0.016 31.805 31.700 0.201 0.000 0.785 316 E N 0.244 120.614 120.200 0.283 0.000 2.051 316 E HA -0.177 4.171 4.350 -0.003 0.000 0.192 316 E C 1.897 178.610 176.600 0.188 0.000 0.991 316 E CA 0.876 57.483 56.400 0.345 0.000 0.799 316 E CB -1.255 28.683 29.700 0.398 0.000 0.748 316 E HN 0.014 nan 8.360 nan 0.000 0.449 317 L N 0.200 121.530 121.223 0.179 0.000 2.083 317 L HA -0.038 4.300 4.340 -0.003 0.000 0.209 317 L C 2.149 179.067 176.870 0.080 0.000 1.083 317 L CA 1.556 56.483 54.840 0.145 0.000 0.752 317 L CB -0.547 41.648 42.059 0.226 0.000 0.899 317 L HN 0.298 nan 8.230 nan 0.000 0.433 318 L N -0.812 120.445 121.223 0.057 0.000 2.046 318 L HA -0.227 4.111 4.340 -0.003 0.000 0.208 318 L C 2.797 179.679 176.870 0.021 0.000 1.077 318 L CA 1.559 56.391 54.840 -0.014 0.000 0.747 318 L CB -0.563 41.467 42.059 -0.049 0.000 0.896 318 L HN 0.308 nan 8.230 nan 0.000 0.432 319 R N 0.004 120.515 120.500 0.019 0.000 2.094 319 R HA -0.179 4.159 4.340 -0.003 0.000 0.239 319 R C 2.191 178.534 176.300 0.072 0.000 1.137 319 R CA 2.010 58.109 56.100 -0.002 0.000 0.943 319 R CB -0.285 29.934 30.300 -0.136 0.000 0.850 319 R HN 0.164 nan 8.270 nan 0.000 0.433 320 V N 1.141 121.118 119.914 0.106 0.000 2.358 320 V HA -0.227 3.891 4.120 -0.003 0.000 0.246 320 V C 2.322 178.541 176.094 0.209 0.000 1.047 320 V CA 1.182 63.569 62.300 0.145 0.000 1.035 320 V CB -0.431 31.484 31.823 0.153 0.000 0.658 320 V HN 0.279 nan 8.190 nan 0.000 0.452 321 L N -0.655 120.664 121.223 0.160 0.000 2.046 321 L HA -0.090 4.248 4.340 -0.003 0.000 0.208 321 L C 2.144 179.105 176.870 0.153 0.000 1.077 321 L CA 1.908 56.843 54.840 0.157 0.000 0.747 321 L CB -0.830 41.254 42.059 0.042 0.000 0.896 321 L HN 0.252 nan 8.230 nan 0.000 0.432 322 I N -0.936 119.699 120.570 0.109 0.000 2.277 322 I HA -0.191 3.977 4.170 -0.003 0.000 0.243 322 I C 1.796 177.978 176.117 0.108 0.000 1.094 322 I CA 0.900 62.270 61.300 0.117 0.000 1.393 322 I CB -0.163 37.919 38.000 0.137 0.000 1.078 322 I HN 0.163 nan 8.210 nan 0.000 0.417 323 D N 0.332 120.788 120.400 0.094 0.000 2.240 323 D HA -0.071 4.567 4.640 -0.003 0.000 0.206 323 D C 1.883 178.200 176.300 0.027 0.000 0.963 323 D CA 0.953 54.998 54.000 0.074 0.000 0.863 323 D CB 0.059 40.914 40.800 0.092 0.000 0.973 323 D HN 0.396 nan 8.370 nan 0.000 0.501 324 E N -0.717 119.476 120.200 -0.012 0.000 2.389 324 E HA 0.057 4.405 4.350 -0.003 0.000 0.199 324 E C 0.884 177.255 176.600 -0.382 0.000 0.978 324 E CA 0.303 56.590 56.400 -0.189 0.000 0.912 324 E CB 0.425 29.982 29.700 -0.239 0.000 0.907 324 E HN 0.370 nan 8.360 nan 0.000 0.494 325 H N 0.210 119.303 119.070 0.037 0.000 2.672 325 H HA 0.177 4.731 4.556 -0.003 0.000 0.277 325 H C -0.105 175.250 175.328 0.046 0.000 1.074 325 H CA 0.084 56.154 56.048 0.037 0.000 1.173 325 H CB 0.855 30.640 29.762 0.038 0.000 1.558 325 H HN 0.003 nan 8.280 nan 0.000 0.539 326 Q N 0.211 120.082 119.800 0.118 0.000 2.457 326 Q HA -0.184 4.154 4.340 -0.003 0.000 0.283 326 Q C -0.161 175.906 176.000 0.112 0.000 1.234 326 Q CA 0.568 56.431 55.803 0.100 0.000 0.877 326 Q CB -1.776 27.007 28.738 0.075 0.000 1.250 326 Q HN 0.513 nan 8.270 nan 0.000 0.481 327 M N 0.020 119.696 119.600 0.126 0.000 2.228 327 M HA 0.250 4.729 4.480 -0.003 0.000 0.326 327 M C 0.843 177.214 176.300 0.118 0.000 1.122 327 M CA 0.010 55.375 55.300 0.108 0.000 1.161 327 M CB 0.930 33.584 32.600 0.090 0.000 1.437 327 M HN 0.313 nan 8.290 nan 0.000 0.465 328 S N 1.054 116.825 115.700 0.118 0.000 2.593 328 S HA 0.043 4.511 4.470 -0.003 0.000 0.269 328 S C 0.835 175.556 174.600 0.202 0.000 1.334 328 S CA -0.847 57.449 58.200 0.160 0.000 1.015 328 S CB 0.729 64.015 63.200 0.143 0.000 0.912 328 S HN 0.958 nan 8.310 nan 0.000 0.541 329 W N 1.821 123.175 121.300 0.091 0.000 2.317 329 W HA -0.230 4.428 4.660 -0.004 0.000 0.318 329 W C 0.897 177.510 176.519 0.158 0.000 1.227 329 W CA 2.324 59.738 57.345 0.116 0.000 1.269 329 W CB -0.709 28.793 29.460 0.070 0.000 1.155 329 W HN 0.752 nan 8.180 nan 0.000 0.484 330 D N 0.352 120.955 120.400 0.337 0.000 2.123 330 D HA -0.189 4.449 4.640 -0.003 0.000 0.196 330 D C 1.555 177.941 176.300 0.143 0.000 0.992 330 D CA 1.857 56.005 54.000 0.246 0.000 0.833 330 D CB -0.715 40.220 40.800 0.224 0.000 0.954 330 D HN 0.160 nan 8.370 nan 0.000 0.455 331 D N -0.015 120.446 120.400 0.103 0.000 2.183 331 D HA -0.011 4.627 4.640 -0.003 0.000 0.203 331 D C 1.965 178.280 176.300 0.024 0.000 0.969 331 D CA 0.961 55.000 54.000 0.065 0.000 0.842 331 D CB -0.199 40.637 40.800 0.060 0.000 0.957 331 D HN 0.134 nan 8.370 nan 0.000 0.484 332 A N 0.495 123.306 122.820 -0.015 0.000 1.897 332 A HA -0.140 4.178 4.320 -0.003 0.000 0.215 332 A C 2.100 179.609 177.584 -0.126 0.000 1.181 332 A CA 0.771 52.760 52.037 -0.080 0.000 0.620 332 A CB -1.066 17.864 19.000 -0.117 0.000 0.821 332 A HN 0.406 nan 8.150 nan 0.000 0.443 333 W N 0.890 121.972 121.300 -0.364 0.000 2.388 333 W HA -0.132 4.525 4.660 -0.005 0.000 0.294 333 W C 2.213 178.656 176.519 -0.127 0.000 1.212 333 W CA 1.649 58.802 57.345 -0.320 0.000 1.271 333 W CB -0.198 29.036 29.460 -0.376 0.000 1.126 333 W HN 0.431 nan 8.180 nan 0.000 0.535 334 A N 0.786 123.634 122.820 0.047 0.000 1.940 334 A HA -0.202 4.116 4.320 -0.003 0.000 0.219 334 A C 1.991 179.514 177.584 -0.102 0.000 1.176 334 A CA 1.971 54.012 52.037 0.007 0.000 0.631 334 A CB -0.915 18.117 19.000 0.055 0.000 0.814 334 A HN 0.325 nan 8.150 nan 0.000 0.446 335 I N -0.155 120.345 120.570 -0.117 0.000 2.193 335 I HA -0.195 3.973 4.170 -0.003 0.000 0.240 335 I C 2.930 178.903 176.117 -0.239 0.000 1.084 335 I CA 1.783 62.990 61.300 -0.155 0.000 1.365 335 I CB -0.576 37.348 38.000 -0.127 0.000 1.064 335 I HN 0.514 nan 8.210 nan 0.000 0.410 336 T N -1.432 112.955 114.554 -0.279 0.000 2.746 336 T HA -0.176 4.172 4.350 -0.003 0.000 0.267 336 T C 1.947 176.465 174.700 -0.302 0.000 1.039 336 T CA 1.444 63.389 62.100 -0.258 0.000 1.142 336 T CB -0.872 67.893 68.868 -0.171 0.000 0.866 336 T HN 0.420 nan 8.240 nan 0.000 0.444 337 S N 0.917 116.256 115.700 -0.601 0.000 2.507 337 S HA 0.068 4.536 4.470 -0.003 0.000 0.235 337 S C 1.626 176.138 174.600 -0.147 0.000 0.988 337 S CA 0.201 58.087 58.200 -0.524 0.000 0.944 337 S CB -0.276 62.455 63.200 -0.782 0.000 0.762 337 S HN 0.317 nan 8.310 nan 0.000 0.526 338 K N 0.522 120.827 120.400 -0.159 0.000 2.374 338 K HA 0.310 4.628 4.320 -0.003 0.000 0.202 338 K C 0.876 177.343 176.600 -0.221 0.000 1.040 338 K CA 0.326 56.498 56.287 -0.192 0.000 1.085 338 K CB 0.291 32.645 32.500 -0.242 0.000 0.873 338 K HN 0.403 nan 8.250 nan 0.000 0.539 339 T N -0.277 114.215 114.554 -0.103 0.000 3.018 339 T HA 0.252 4.600 4.350 -0.003 0.000 0.246 339 T C 0.046 174.730 174.700 -0.026 0.000 1.026 339 T CA 0.150 62.131 62.100 -0.198 0.000 1.081 339 T CB 0.147 68.697 68.868 -0.530 0.000 0.970 339 T HN -0.106 nan 8.240 nan 0.000 0.475 340 F N 1.839 121.899 119.950 0.184 0.000 2.404 340 F HA 0.719 5.244 4.527 -0.003 0.000 0.339 340 F C 0.388 176.128 175.800 -0.100 0.000 1.105 340 F CA -1.426 56.611 58.000 0.061 0.000 1.087 340 F CB 0.961 39.924 39.000 -0.063 0.000 1.143 340 F HN 0.003 nan 8.300 nan 0.000 0.491 341 A N 2.911 125.774 122.820 0.072 0.000 2.454 341 A HA 0.724 5.042 4.320 -0.003 0.000 0.302 341 A C -2.247 175.381 177.584 0.073 0.000 1.079 341 A CA -0.638 51.258 52.037 -0.235 0.000 0.731 341 A CB 1.304 20.088 19.000 -0.360 0.000 1.299 341 A HN 0.670 nan 8.150 nan 0.000 0.413 342 Y N 0.646 120.876 120.300 -0.116 0.000 2.391 342 Y HA 0.664 5.212 4.550 -0.005 0.000 0.341 342 Y C -0.591 175.330 175.900 0.035 0.000 0.965 342 Y CA -0.486 57.596 58.100 -0.030 0.000 1.067 342 Y CB 2.100 40.504 38.460 -0.094 0.000 1.199 342 Y HN 0.556 nan 8.280 nan 0.000 0.450 343 T N 6.855 121.186 114.554 -0.371 0.000 2.770 343 T HA 0.235 4.583 4.350 -0.003 0.000 0.283 343 T C -0.804 173.464 174.700 -0.719 0.000 0.988 343 T CA -0.833 61.005 62.100 -0.437 0.000 0.957 343 T CB 0.348 69.144 68.868 -0.120 0.000 0.930 343 T HN 0.679 nan 8.240 nan 0.000 0.443 344 N N 2.176 120.482 118.700 -0.656 0.000 2.419 344 N HA 0.096 4.834 4.740 -0.003 0.000 0.264 344 N C 0.184 175.653 175.510 -0.068 0.000 1.031 344 N CA -0.279 52.632 53.050 -0.232 0.000 0.951 344 N CB 0.609 39.118 38.487 0.036 0.000 1.101 344 N HN 0.681 nan 8.380 nan 0.000 0.488 345 H N 1.601 120.702 119.070 0.052 0.000 2.652 345 H HA 0.130 4.685 4.556 -0.003 0.000 0.274 345 H C -0.126 175.129 175.328 -0.122 0.000 1.021 345 H CA 0.134 56.172 56.048 -0.016 0.000 1.187 345 H CB 1.077 30.849 29.762 0.016 0.000 1.505 345 H HN 0.529 nan 8.280 nan 0.000 0.530 346 T N -0.062 114.513 114.554 0.034 0.000 3.003 346 T HA 0.164 4.512 4.350 -0.003 0.000 0.354 346 T C 0.087 174.805 174.700 0.029 0.000 1.651 346 T CA -0.617 61.447 62.100 -0.059 0.000 1.103 346 T CB 0.679 69.521 68.868 -0.043 0.000 1.450 346 T HN 0.073 nan 8.240 nan 0.000 0.484 347 L N 2.781 123.990 121.223 -0.025 0.000 2.591 347 L HA 0.282 4.620 4.340 -0.003 0.000 0.228 347 L C 1.211 178.049 176.870 -0.055 0.000 1.133 347 L CA -0.020 54.809 54.840 -0.019 0.000 0.880 347 L CB -0.119 41.918 42.059 -0.037 0.000 1.033 347 L HN 0.507 nan 8.230 nan 0.000 0.450 348 M N 0.903 120.451 119.600 -0.087 0.000 2.252 348 M HA 0.026 4.504 4.480 -0.003 0.000 0.329 348 M C -1.129 175.172 176.300 0.003 0.000 1.101 348 M CA -1.575 53.703 55.300 -0.037 0.000 1.117 348 M CB -0.113 32.480 32.600 -0.011 0.000 1.563 348 M HN -0.214 nan 8.290 nan 0.000 0.445 349 P HA -0.137 nan 4.420 nan 0.000 0.221 349 P C 0.962 178.248 177.300 -0.024 0.000 1.150 349 P CA 1.182 64.278 63.100 -0.007 0.000 0.800 349 P CB -0.207 31.487 31.700 -0.009 0.000 0.787 350 E N 0.589 120.782 120.200 -0.012 0.000 2.265 350 E HA -0.122 4.226 4.350 -0.003 0.000 0.196 350 E C 1.518 178.100 176.600 -0.030 0.000 0.996 350 E CA 1.414 57.791 56.400 -0.038 0.000 0.832 350 E CB -0.994 28.684 29.700 -0.036 0.000 0.756 350 E HN 0.200 nan 8.360 nan 0.000 0.491 351 A N 0.953 123.765 122.820 -0.013 0.000 2.275 351 A HA 0.264 4.582 4.320 -0.003 0.000 0.212 351 A C 1.184 178.760 177.584 -0.012 0.000 1.201 351 A CA -0.214 51.804 52.037 -0.031 0.000 0.843 351 A CB -0.025 18.981 19.000 0.009 0.000 0.873 351 A HN 0.153 nan 8.150 nan 0.000 0.492 352 L N 1.551 122.768 121.223 -0.009 0.000 2.599 352 L HA 0.258 4.596 4.340 -0.003 0.000 0.241 352 L C -0.564 176.264 176.870 -0.070 0.000 1.207 352 L CA -0.375 54.475 54.840 0.017 0.000 0.987 352 L CB 0.586 42.674 42.059 0.048 0.000 1.318 352 L HN 0.258 nan 8.230 nan 0.000 0.458 353 E N 1.993 122.120 120.200 -0.123 0.000 2.413 353 E HA 0.219 4.567 4.350 -0.003 0.000 0.263 353 E C -0.268 176.094 176.600 -0.397 0.000 1.015 353 E CA 0.263 56.465 56.400 -0.329 0.000 0.916 353 E CB 0.800 30.291 29.700 -0.348 0.000 0.947 353 E HN 0.364 nan 8.360 nan 0.000 0.440 354 R N 2.297 122.439 120.500 -0.595 0.000 2.621 354 R HA 0.388 4.726 4.340 -0.003 0.000 0.292 354 R C -1.320 174.605 176.300 -0.626 0.000 0.969 354 R CA -0.684 55.108 56.100 -0.513 0.000 0.887 354 R CB 1.328 31.366 30.300 -0.436 0.000 1.180 354 R HN 0.475 nan 8.270 nan 0.000 0.450 355 W N 1.535 122.788 121.300 -0.078 0.000 2.702 355 W HA 0.290 4.949 4.660 -0.002 0.000 0.331 355 W C -0.397 176.113 176.519 -0.016 0.000 1.049 355 W CA -0.762 56.568 57.345 -0.025 0.000 1.230 355 W CB 1.373 30.828 29.460 -0.008 0.000 1.408 355 W HN 0.310 nan 8.180 nan 0.000 0.492 356 D N 1.577 122.140 120.400 0.271 0.000 2.455 356 D HA -0.028 4.610 4.640 -0.003 0.000 0.241 356 D C 1.208 177.612 176.300 0.173 0.000 1.138 356 D CA 0.221 54.328 54.000 0.179 0.000 0.877 356 D CB 1.698 42.604 40.800 0.176 0.000 1.187 356 D HN 0.131 nan 8.370 nan 0.000 0.451 357 V N 3.440 123.429 119.914 0.126 0.000 2.324 357 V HA -0.296 3.822 4.120 -0.003 0.000 0.250 357 V C 2.454 178.600 176.094 0.087 0.000 1.060 357 V CA 1.989 64.350 62.300 0.102 0.000 1.042 357 V CB -0.431 31.443 31.823 0.085 0.000 0.650 357 V HN 0.655 nan 8.190 nan 0.000 0.450 358 K N -0.247 120.208 120.400 0.092 0.000 2.103 358 K HA -0.241 4.077 4.320 -0.003 0.000 0.207 358 K C 2.122 178.783 176.600 0.102 0.000 1.048 358 K CA 1.925 58.262 56.287 0.083 0.000 0.930 358 K CB -0.212 32.334 32.500 0.077 0.000 0.716 358 K HN 0.390 nan 8.250 nan 0.000 0.444 359 L N 0.702 122.011 121.223 0.143 0.000 2.044 359 L HA -0.090 4.248 4.340 -0.003 0.000 0.205 359 L C 1.991 178.880 176.870 0.032 0.000 1.075 359 L CA 1.328 56.254 54.840 0.143 0.000 0.747 359 L CB -0.389 41.793 42.059 0.204 0.000 0.903 359 L HN -0.007 nan 8.230 nan 0.000 0.435 360 V N 0.117 120.040 119.914 0.014 0.000 2.343 360 V HA -0.307 3.811 4.120 -0.003 0.000 0.247 360 V C 2.665 178.721 176.094 -0.062 0.000 1.051 360 V CA 2.142 64.398 62.300 -0.072 0.000 1.036 360 V CB -0.821 30.980 31.823 -0.036 0.000 0.654 360 V HN 0.521 nan 8.190 nan 0.000 0.451 361 K N 0.285 120.679 120.400 -0.009 0.000 2.063 361 K HA -0.170 4.148 4.320 -0.003 0.000 0.208 361 K C 2.158 178.754 176.600 -0.007 0.000 1.048 361 K CA 1.708 57.989 56.287 -0.011 0.000 0.928 361 K CB -0.598 31.913 32.500 0.018 0.000 0.713 361 K HN 0.510 nan 8.250 nan 0.000 0.442 362 G N 0.776 109.588 108.800 0.020 0.000 2.402 362 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.216 362 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.216 362 G C 1.428 176.346 174.900 0.031 0.000 1.162 362 G CA 0.578 45.703 45.100 0.041 0.000 0.777 362 G HN 0.208 nan 8.290 nan 0.000 0.539 363 L N -0.770 120.442 121.223 -0.019 0.000 2.162 363 L HA 0.322 4.660 4.340 -0.003 0.000 0.205 363 L C 0.802 177.621 176.870 -0.085 0.000 1.086 363 L CA 0.480 55.296 54.840 -0.040 0.000 0.778 363 L CB 0.076 42.062 42.059 -0.121 0.000 0.928 363 L HN 0.074 nan 8.230 nan 0.000 0.446 364 L N 0.568 121.676 121.223 -0.192 0.000 2.594 364 L HA 0.234 4.572 4.340 -0.003 0.000 0.245 364 L C -1.696 174.989 176.870 -0.309 0.000 1.460 364 L CA -0.957 53.667 54.840 -0.360 0.000 0.865 364 L CB 0.988 42.691 42.059 -0.594 0.000 1.131 364 L HN -0.155 nan 8.230 nan 0.000 0.506 365 P HA -0.175 nan 4.420 nan 0.000 0.218 365 P C 1.419 178.545 177.300 -0.290 0.000 1.149 365 P CA 1.029 64.007 63.100 -0.204 0.000 0.817 365 P CB 0.423 32.065 31.700 -0.098 0.000 0.785 366 R N -0.032 120.112 120.500 -0.593 0.000 2.073 366 R HA -0.117 4.221 4.340 -0.003 0.000 0.229 366 R C 2.298 178.372 176.300 -0.376 0.000 1.120 366 R CA 1.621 57.425 56.100 -0.494 0.000 0.967 366 R CB -1.591 28.295 30.300 -0.689 0.000 0.862 366 R HN 0.228 nan 8.270 nan 0.000 0.436 367 H N -0.965 117.852 119.070 -0.422 0.000 2.387 367 H HA -0.058 4.496 4.556 -0.004 0.000 0.299 367 H C 1.672 176.929 175.328 -0.119 0.000 1.090 367 H CA 1.873 57.783 56.048 -0.230 0.000 1.332 367 H CB -0.206 29.385 29.762 -0.284 0.000 1.386 367 H HN 0.116 nan 8.280 nan 0.000 0.516 368 M N 0.874 120.462 119.600 -0.020 0.000 2.108 368 M HA -0.210 4.268 4.480 -0.003 0.000 0.261 368 M C 1.846 178.156 176.300 0.017 0.000 1.066 368 M CA 1.646 56.949 55.300 0.004 0.000 1.107 368 M CB -0.219 32.372 32.600 -0.015 0.000 1.356 368 M HN 0.260 nan 8.290 nan 0.000 0.406 369 Q N -0.471 119.319 119.800 -0.018 0.000 2.061 369 Q HA -0.200 4.138 4.340 -0.003 0.000 0.204 369 Q C 2.158 178.184 176.000 0.042 0.000 0.984 369 Q CA 2.067 57.870 55.803 0.001 0.000 0.846 369 Q CB -0.419 28.307 28.738 -0.021 0.000 0.902 369 Q HN 0.565 nan 8.270 nan 0.000 0.421 370 I N 0.416 121.028 120.570 0.070 0.000 2.226 370 I HA -0.282 3.886 4.170 -0.003 0.000 0.245 370 I C 2.227 178.491 176.117 0.244 0.000 1.100 370 I CA 1.079 62.499 61.300 0.201 0.000 1.374 370 I CB -0.253 37.851 38.000 0.175 0.000 1.057 370 I HN 0.210 nan 8.210 nan 0.000 0.413 371 I N 0.770 121.446 120.570 0.176 0.000 2.226 371 I HA -0.302 3.866 4.170 -0.003 0.000 0.245 371 I C 2.190 178.405 176.117 0.163 0.000 1.100 371 I CA 1.247 62.658 61.300 0.184 0.000 1.374 371 I CB -0.543 37.544 38.000 0.145 0.000 1.057 371 I HN 0.313 nan 8.210 nan 0.000 0.413 372 N N 0.585 119.354 118.700 0.114 0.000 2.166 372 N HA -0.216 4.522 4.740 -0.003 0.000 0.186 372 N C 1.794 177.334 175.510 0.051 0.000 1.019 372 N CA 1.235 54.341 53.050 0.094 0.000 0.856 372 N CB -0.212 38.311 38.487 0.059 0.000 0.993 372 N HN 0.379 nan 8.380 nan 0.000 0.426 373 E N 1.209 121.401 120.200 -0.013 0.000 2.047 373 E HA -0.021 4.327 4.350 -0.003 0.000 0.191 373 E C 1.999 178.505 176.600 -0.157 0.000 0.987 373 E CA 0.835 57.112 56.400 -0.206 0.000 0.799 373 E CB -0.324 29.096 29.700 -0.467 0.000 0.752 373 E HN 0.294 nan 8.360 nan 0.000 0.449 374 I N 0.878 121.499 120.570 0.086 0.000 2.151 374 I HA -0.343 3.825 4.170 -0.003 0.000 0.243 374 I C 2.360 178.600 176.117 0.205 0.000 1.080 374 I CA 1.611 63.028 61.300 0.195 0.000 1.339 374 I CB -0.540 37.666 38.000 0.343 0.000 1.039 374 I HN 0.251 nan 8.210 nan 0.000 0.409 375 N N 0.411 119.259 118.700 0.246 0.000 2.084 375 N HA -0.171 4.567 4.740 -0.003 0.000 0.190 375 N C 1.773 177.510 175.510 0.379 0.000 1.030 375 N CA 2.142 55.428 53.050 0.392 0.000 0.849 375 N CB -0.204 38.493 38.487 0.351 0.000 1.012 375 N HN 0.174 nan 8.380 nan 0.000 0.423 376 T N 0.139 114.795 114.554 0.171 0.000 2.708 376 T HA -0.044 4.304 4.350 -0.003 0.000 0.266 376 T C 1.900 176.597 174.700 -0.006 0.000 1.037 376 T CA 1.070 63.198 62.100 0.047 0.000 1.146 376 T CB -0.130 68.719 68.868 -0.032 0.000 0.865 376 T HN 0.265 nan 8.240 nan 0.000 0.435 377 R N -0.192 120.294 120.500 -0.023 0.000 2.092 377 R HA 0.001 4.339 4.340 -0.003 0.000 0.231 377 R C 2.160 178.523 176.300 0.105 0.000 1.119 377 R CA 1.158 57.233 56.100 -0.043 0.000 0.970 377 R CB -0.418 29.791 30.300 -0.153 0.000 0.864 377 R HN 0.306 nan 8.270 nan 0.000 0.440 378 F N 2.114 122.109 119.950 0.074 0.000 2.186 378 F HA -0.128 4.397 4.527 -0.005 0.000 0.299 378 F C 2.127 178.036 175.800 0.181 0.000 1.090 378 F CA 1.338 59.467 58.000 0.215 0.000 1.307 378 F CB -0.196 39.027 39.000 0.372 0.000 1.019 378 F HN -0.200 nan 8.300 nan 0.000 0.489 379 K N -0.477 119.860 120.400 -0.105 0.000 2.160 379 K HA -0.189 4.129 4.320 -0.003 0.000 0.206 379 K C 1.927 178.254 176.600 -0.454 0.000 1.047 379 K CA 1.895 57.750 56.287 -0.721 0.000 0.930 379 K CB -0.290 31.642 32.500 -0.946 0.000 0.720 379 K HN 0.271 nan 8.250 nan 0.000 0.450 380 T N 1.518 115.930 114.554 -0.238 0.000 2.652 380 T HA -0.180 4.168 4.350 -0.003 0.000 0.267 380 T C 1.594 176.214 174.700 -0.134 0.000 1.039 380 T CA 1.456 63.459 62.100 -0.162 0.000 1.153 380 T CB -0.224 68.592 68.868 -0.086 0.000 0.863 380 T HN 0.197 nan 8.240 nan 0.000 0.428 381 L N 1.303 122.472 121.223 -0.091 0.000 2.093 381 L HA 0.023 4.361 4.340 -0.003 0.000 0.208 381 L C 2.336 179.133 176.870 -0.122 0.000 1.085 381 L CA 1.364 56.176 54.840 -0.047 0.000 0.755 381 L CB -0.636 41.502 42.059 0.133 0.000 0.904 381 L HN 0.080 nan 8.230 nan 0.000 0.435 382 V N -0.207 119.555 119.914 -0.254 0.000 2.427 382 V HA -0.219 3.899 4.120 -0.003 0.000 0.248 382 V C 2.614 178.723 176.094 0.026 0.000 1.051 382 V CA 1.635 63.898 62.300 -0.061 0.000 1.048 382 V CB -0.609 31.158 31.823 -0.092 0.000 0.666 382 V HN 0.551 nan 8.190 nan 0.000 0.456 383 E N 1.237 121.359 120.200 -0.129 0.000 2.051 383 E HA -0.250 4.098 4.350 -0.003 0.000 0.192 383 E C 2.241 178.798 176.600 -0.072 0.000 0.991 383 E CA 1.868 58.205 56.400 -0.106 0.000 0.799 383 E CB -0.417 29.174 29.700 -0.182 0.000 0.748 383 E HN 0.511 nan 8.360 nan 0.000 0.449 384 K N -0.798 119.545 120.400 -0.095 0.000 2.063 384 K HA -0.141 4.177 4.320 -0.003 0.000 0.208 384 K C 1.862 178.370 176.600 -0.152 0.000 1.048 384 K CA 1.871 58.097 56.287 -0.101 0.000 0.928 384 K CB -0.257 32.189 32.500 -0.089 0.000 0.713 384 K HN 0.188 nan 8.250 nan 0.000 0.442 385 T N -0.565 113.863 114.554 -0.211 0.000 2.942 385 T HA -0.050 4.298 4.350 -0.003 0.000 0.265 385 T C 0.134 174.477 174.700 -0.594 0.000 1.062 385 T CA 0.708 62.508 62.100 -0.501 0.000 1.139 385 T CB 0.042 68.442 68.868 -0.780 0.000 0.883 385 T HN 0.313 nan 8.240 nan 0.000 0.468 386 W N 2.131 123.384 121.300 -0.079 0.000 1.809 386 W HA 0.323 4.976 4.660 -0.012 0.000 0.298 386 W C -3.160 173.321 176.519 -0.063 0.000 0.905 386 W CA -2.826 54.482 57.345 -0.062 0.000 1.872 386 W CB -0.011 29.416 29.460 -0.054 0.000 2.092 386 W HN 0.033 nan 8.180 nan 0.000 0.403 387 P HA -0.028 nan 4.420 nan 0.000 0.259 387 P C 1.121 178.449 177.300 0.046 0.000 1.163 387 P CA 2.178 65.296 63.100 0.029 0.000 0.760 387 P CB 0.423 32.120 31.700 -0.005 0.000 0.762 388 G N 2.674 111.485 108.800 0.019 0.000 2.228 388 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.270 388 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.270 388 G C 0.342 175.264 174.900 0.036 0.000 0.976 388 G CA 0.205 45.314 45.100 0.015 0.000 0.636 388 G HN 0.632 nan 8.290 nan 0.000 0.542 389 D N 0.995 121.435 120.400 0.067 0.000 2.348 389 D HA 0.286 4.924 4.640 -0.003 0.000 0.259 389 D C 1.466 177.794 176.300 0.047 0.000 1.296 389 D CA -0.186 53.842 54.000 0.047 0.000 0.931 389 D CB 0.442 41.266 40.800 0.041 0.000 1.067 389 D HN 0.288 nan 8.370 nan 0.000 0.503 390 E N 2.943 123.173 120.200 0.050 0.000 2.285 390 E HA -0.083 4.265 4.350 -0.003 0.000 0.194 390 E C 1.380 178.008 176.600 0.045 0.000 0.997 390 E CA 0.522 56.981 56.400 0.099 0.000 0.845 390 E CB 0.269 30.031 29.700 0.103 0.000 0.782 390 E HN 0.363 nan 8.360 nan 0.000 0.491 391 K N 0.118 120.502 120.400 -0.028 0.000 2.103 391 K HA -0.022 4.296 4.320 -0.003 0.000 0.204 391 K C 2.052 178.542 176.600 -0.184 0.000 1.052 391 K CA 0.375 56.602 56.287 -0.099 0.000 0.945 391 K CB -0.240 32.202 32.500 -0.098 0.000 0.722 391 K HN -0.084 nan 8.250 nan 0.000 0.443 392 V N 0.199 119.988 119.914 -0.207 0.000 2.270 392 V HA -0.229 3.889 4.120 -0.003 0.000 0.245 392 V C 1.877 177.823 176.094 -0.248 0.000 1.043 392 V CA 1.596 63.677 62.300 -0.365 0.000 1.014 392 V CB -0.493 30.951 31.823 -0.632 0.000 0.645 392 V HN 0.542 nan 8.190 nan 0.000 0.447 393 W N 1.109 122.246 121.300 -0.271 0.000 2.318 393 W HA -0.304 4.353 4.660 -0.006 0.000 0.313 393 W C 2.374 178.722 176.519 -0.284 0.000 1.221 393 W CA 1.939 59.162 57.345 -0.203 0.000 1.266 393 W CB -0.216 29.181 29.460 -0.105 0.000 1.150 393 W HN 0.305 nan 8.180 nan 0.000 0.496 394 A N 0.522 123.020 122.820 -0.537 0.000 2.024 394 A HA -0.264 4.054 4.320 -0.003 0.000 0.220 394 A C 2.006 179.096 177.584 -0.823 0.000 1.164 394 A CA 2.077 53.482 52.037 -1.052 0.000 0.643 394 A CB -0.818 17.780 19.000 -0.670 0.000 0.806 394 A HN 0.436 nan 8.150 nan 0.000 0.451 395 K N -0.715 119.363 120.400 -0.537 0.000 2.186 395 K HA 0.169 4.487 4.320 -0.003 0.000 0.202 395 K C 1.379 177.745 176.600 -0.391 0.000 1.052 395 K CA 0.693 56.730 56.287 -0.417 0.000 0.965 395 K CB -0.080 32.218 32.500 -0.337 0.000 0.746 395 K HN 0.484 nan 8.250 nan 0.000 0.457 396 L N 0.619 121.602 121.223 -0.400 0.000 2.590 396 L HA 0.279 4.617 4.340 -0.003 0.000 0.227 396 L C 0.718 177.544 176.870 -0.075 0.000 1.099 396 L CA -0.437 54.299 54.840 -0.173 0.000 0.872 396 L CB 0.252 42.280 42.059 -0.053 0.000 1.088 396 L HN 0.047 nan 8.230 nan 0.000 0.479 397 A N 0.318 122.718 122.820 -0.699 0.000 2.483 397 A HA 0.219 4.537 4.320 -0.003 0.000 0.238 397 A C 1.267 178.712 177.584 -0.232 0.000 1.070 397 A CA -0.119 51.359 52.037 -0.931 0.000 0.770 397 A CB 0.738 18.753 19.000 -1.642 0.000 1.008 397 A HN -0.020 nan 8.150 nan 0.000 0.497 398 V N 1.872 121.818 119.914 0.054 0.000 2.591 398 V HA -0.041 4.077 4.120 -0.003 0.000 0.249 398 V C 0.514 176.739 176.094 0.219 0.000 1.053 398 V CA 1.306 63.707 62.300 0.168 0.000 1.068 398 V CB -0.139 31.811 31.823 0.211 0.000 0.689 398 V HN 0.560 nan 8.190 nan 0.000 0.462 399 V N 1.078 121.108 119.914 0.195 0.000 2.487 399 V HA 0.573 4.691 4.120 -0.003 0.000 0.298 399 V C -0.687 175.536 176.094 0.215 0.000 1.028 399 V CA -0.586 61.855 62.300 0.236 0.000 0.860 399 V CB 1.596 33.544 31.823 0.209 0.000 0.991 399 V HN 0.457 nan 8.190 nan 0.000 0.427 400 H N 3.707 122.849 119.070 0.121 0.000 3.112 400 H HA 0.217 4.772 4.556 -0.001 0.000 0.347 400 H C -0.662 174.740 175.328 0.124 0.000 1.188 400 H CA -0.292 55.778 56.048 0.035 0.000 1.240 400 H CB 2.150 31.792 29.762 -0.201 0.000 1.920 400 H HN 0.723 nan 8.280 nan 0.000 0.535 401 D N 3.705 123.908 120.400 -0.328 0.000 2.689 401 D HA -0.189 4.449 4.640 -0.003 0.000 0.237 401 D C -0.013 176.300 176.300 0.022 0.000 1.148 401 D CA 1.660 55.600 54.000 -0.100 0.000 0.656 401 D CB -0.792 40.048 40.800 0.068 0.000 1.050 401 D HN 0.810 nan 8.370 nan 0.000 0.426 402 K N -1.592 118.817 120.400 0.015 0.000 3.088 402 K HA -0.271 4.047 4.320 -0.003 0.000 0.273 402 K C 0.148 176.793 176.600 0.075 0.000 1.111 402 K CA 1.115 57.431 56.287 0.047 0.000 0.803 402 K CB -1.133 31.387 32.500 0.033 0.000 1.226 402 K HN 0.567 nan 8.250 nan 0.000 0.485 403 Q N 0.119 119.979 119.800 0.101 0.000 2.397 403 Q HA 0.465 4.803 4.340 -0.003 0.000 0.275 403 Q C -0.623 175.431 176.000 0.091 0.000 1.090 403 Q CA -0.940 54.895 55.803 0.054 0.000 0.809 403 Q CB 2.896 31.592 28.738 -0.070 0.000 1.362 403 Q HN -0.012 nan 8.270 nan 0.000 0.431 404 V N 2.247 122.203 119.914 0.070 0.000 2.407 404 V HA 0.177 4.295 4.120 -0.003 0.000 0.278 404 V C -0.218 175.864 176.094 -0.020 0.000 1.037 404 V CA -0.499 61.879 62.300 0.130 0.000 0.900 404 V CB 0.837 32.774 31.823 0.190 0.000 0.983 404 V HN 0.648 nan 8.190 nan 0.000 0.459 405 H N 6.510 125.636 119.070 0.093 0.000 2.787 405 H HA 0.241 4.796 4.556 -0.002 0.000 0.275 405 H C 0.587 175.953 175.328 0.063 0.000 1.183 405 H CA -0.620 55.465 56.048 0.063 0.000 1.290 405 H CB 1.281 31.078 29.762 0.058 0.000 1.438 405 H HN 0.564 nan 8.280 nan 0.000 0.487 406 M N 1.343 120.998 119.600 0.091 0.000 2.117 406 M HA -0.118 4.360 4.480 -0.003 0.000 0.262 406 M C 2.409 178.695 176.300 -0.024 0.000 1.065 406 M CA 1.047 56.388 55.300 0.068 0.000 1.114 406 M CB -0.986 31.679 32.600 0.108 0.000 1.361 406 M HN 0.591 nan 8.290 nan 0.000 0.408 407 A N 0.788 123.618 122.820 0.016 0.000 1.933 407 A HA -0.174 4.144 4.320 -0.003 0.000 0.218 407 A C 1.995 179.527 177.584 -0.087 0.000 1.175 407 A CA 1.768 53.777 52.037 -0.046 0.000 0.628 407 A CB -0.756 18.421 19.000 0.296 0.000 0.814 407 A HN 0.470 nan 8.150 nan 0.000 0.444 408 N N -0.121 118.636 118.700 0.096 0.000 2.120 408 N HA -0.133 4.605 4.740 -0.003 0.000 0.188 408 N C 1.518 176.952 175.510 -0.127 0.000 1.024 408 N CA 1.365 54.457 53.050 0.071 0.000 0.852 408 N CB -0.570 38.063 38.487 0.243 0.000 1.003 408 N HN 0.405 nan 8.380 nan 0.000 0.424 409 L N 0.879 122.062 121.223 -0.067 0.000 2.046 409 L HA -0.093 4.245 4.340 -0.003 0.000 0.208 409 L C 1.979 178.709 176.870 -0.233 0.000 1.077 409 L CA 1.431 56.217 54.840 -0.090 0.000 0.747 409 L CB -0.990 41.062 42.059 -0.011 0.000 0.896 409 L HN 0.168 nan 8.230 nan 0.000 0.432 410 C N -1.645 117.434 119.300 -0.368 0.000 2.413 410 C HA -0.155 4.303 4.460 -0.003 0.000 0.276 410 C C 2.755 177.447 174.990 -0.497 0.000 1.248 410 C CA 1.007 59.707 59.018 -0.530 0.000 1.742 410 C CB -0.984 26.128 27.740 -1.045 0.000 2.017 410 C HN 0.487 nan 8.230 nan 0.000 0.481 411 V N 0.364 119.927 119.914 -0.585 0.000 2.307 411 V HA -0.159 3.959 4.120 -0.003 0.000 0.245 411 V C 2.392 178.127 176.094 -0.599 0.000 1.045 411 V CA 1.913 63.830 62.300 -0.639 0.000 1.024 411 V CB -0.627 30.600 31.823 -0.992 0.000 0.651 411 V HN 0.457 nan 8.190 nan 0.000 0.449 412 V N 0.729 120.318 119.914 -0.542 0.000 2.515 412 V HA -0.074 4.044 4.120 -0.003 0.000 0.250 412 V C 2.254 178.226 176.094 -0.202 0.000 1.058 412 V CA 2.014 64.053 62.300 -0.435 0.000 1.064 412 V CB -0.731 30.844 31.823 -0.413 0.000 0.675 412 V HN 0.619 nan 8.190 nan 0.000 0.461 413 G N -1.059 107.627 108.800 -0.191 0.000 3.126 413 G HA2 0.429 4.387 3.960 -0.003 0.000 0.224 413 G HA3 0.429 4.387 3.960 -0.003 0.000 0.224 413 G C 0.523 175.232 174.900 -0.319 0.000 1.142 413 G CA 0.611 45.587 45.100 -0.207 0.000 0.759 413 G HN 0.606 nan 8.290 nan 0.000 0.550 414 G N -0.371 108.264 108.800 -0.276 0.000 2.820 414 G HA2 0.481 4.439 3.960 -0.003 0.000 0.291 414 G HA3 0.481 4.439 3.960 -0.003 0.000 0.291 414 G C 0.175 174.956 174.900 -0.199 0.000 1.323 414 G CA -0.741 44.251 45.100 -0.179 0.000 1.055 414 G HN 0.283 nan 8.290 nan 0.000 0.520 415 F N -1.873 117.996 119.950 -0.135 0.000 2.682 415 F HA 0.763 5.288 4.527 -0.003 0.000 0.308 415 F C 0.368 176.117 175.800 -0.085 0.000 1.093 415 F CA -0.498 57.418 58.000 -0.140 0.000 1.244 415 F CB 0.321 39.269 39.000 -0.087 0.000 1.052 415 F HN 0.571 nan 8.300 nan 0.000 0.573 416 A N 0.378 122.801 122.820 -0.661 0.000 2.589 416 A HA 0.736 5.054 4.320 -0.003 0.000 0.296 416 A C -1.767 175.621 177.584 -0.326 0.000 1.062 416 A CA -0.677 51.112 52.037 -0.415 0.000 0.686 416 A CB 1.446 20.153 19.000 -0.488 0.000 1.282 416 A HN 0.062 nan 8.150 nan 0.000 0.404 417 V N 3.379 123.142 119.914 -0.252 0.000 2.760 417 V HA 0.633 4.751 4.120 -0.003 0.000 0.309 417 V C -0.925 175.147 176.094 -0.036 0.000 1.077 417 V CA -0.720 61.463 62.300 -0.196 0.000 0.910 417 V CB 2.068 33.654 31.823 -0.395 0.000 1.008 417 V HN 1.072 nan 8.190 nan 0.000 0.424 418 N N 2.671 121.345 118.700 -0.043 0.000 2.242 418 N HA 0.616 5.354 4.740 -0.003 0.000 0.292 418 N C -0.340 175.154 175.510 -0.028 0.000 1.125 418 N CA -0.328 52.729 53.050 0.011 0.000 0.783 418 N CB 2.785 41.246 38.487 -0.043 0.000 1.558 418 N HN 0.678 nan 8.380 nan 0.000 0.472 419 G N -0.821 107.985 108.800 0.010 0.000 2.568 419 G HA2 0.465 4.423 3.960 -0.003 0.000 0.293 419 G HA3 0.465 4.423 3.960 -0.003 0.000 0.293 419 G C 0.614 175.605 174.900 0.152 0.000 1.347 419 G CA -0.284 44.867 45.100 0.085 0.000 1.039 419 G HN 0.738 nan 8.290 nan 0.000 0.523 420 V N -4.290 115.819 119.914 0.325 0.000 3.346 420 V HA 0.716 4.834 4.120 -0.003 0.000 0.309 420 V C 0.443 176.620 176.094 0.138 0.000 1.457 420 V CA 0.453 62.839 62.300 0.143 0.000 1.069 420 V CB -0.478 31.377 31.823 0.053 0.000 0.944 420 V HN 1.358 nan 8.190 nan 0.000 0.449 421 A N -0.513 122.405 122.820 0.164 0.000 2.612 421 A HA 0.889 5.207 4.320 -0.003 0.000 0.293 421 A C 0.868 178.513 177.584 0.102 0.000 1.075 421 A CA 0.046 52.157 52.037 0.124 0.000 0.680 421 A CB 1.062 20.127 19.000 0.107 0.000 1.279 421 A HN 0.912 nan 8.150 nan 0.000 0.411 422 A N 0.412 123.274 122.820 0.070 0.000 1.892 422 A HA -0.089 4.229 4.320 -0.003 0.000 0.218 422 A C 1.934 179.532 177.584 0.025 0.000 1.188 422 A CA 1.963 54.022 52.037 0.037 0.000 0.631 422 A CB -0.823 18.192 19.000 0.027 0.000 0.822 422 A HN 1.263 nan 8.150 nan 0.000 0.447 423 L N -1.191 120.053 121.223 0.036 0.000 2.017 423 L HA -0.230 4.108 4.340 -0.003 0.000 0.208 423 L C 2.713 179.597 176.870 0.024 0.000 1.073 423 L CA 2.375 57.226 54.840 0.018 0.000 0.745 423 L CB -0.615 41.458 42.059 0.022 0.000 0.894 423 L HN 0.741 nan 8.230 nan 0.000 0.432 424 H N -0.868 118.183 119.070 -0.032 0.000 2.321 424 H HA -0.156 4.399 4.556 -0.002 0.000 0.300 424 H C 2.166 177.472 175.328 -0.036 0.000 1.087 424 H CA 1.780 57.803 56.048 -0.042 0.000 1.319 424 H CB 0.285 30.026 29.762 -0.035 0.000 1.379 424 H HN 0.334 nan 8.280 nan 0.000 0.501 425 S N 0.095 115.710 115.700 -0.142 0.000 2.399 425 S HA -0.158 4.310 4.470 -0.003 0.000 0.231 425 S C 1.735 176.235 174.600 -0.168 0.000 1.022 425 S CA 1.453 59.548 58.200 -0.175 0.000 0.983 425 S CB -0.297 62.879 63.200 -0.040 0.000 0.803 425 S HN 0.582 nan 8.310 nan 0.000 0.480 426 D N 1.296 121.618 120.400 -0.130 0.000 2.097 426 D HA -0.057 4.581 4.640 -0.003 0.000 0.195 426 D C 1.793 177.991 176.300 -0.171 0.000 0.989 426 D CA 0.932 54.849 54.000 -0.138 0.000 0.827 426 D CB -0.166 40.580 40.800 -0.089 0.000 0.966 426 D HN 0.297 nan 8.370 nan 0.000 0.456 427 L N -0.222 120.900 121.223 -0.169 0.000 2.141 427 L HA -0.105 4.233 4.340 -0.003 0.000 0.209 427 L C 2.485 179.216 176.870 -0.231 0.000 1.094 427 L CA 0.339 55.075 54.840 -0.173 0.000 0.763 427 L CB -0.321 41.661 42.059 -0.128 0.000 0.908 427 L HN 0.074 nan 8.230 nan 0.000 0.437 428 V N -0.711 119.023 119.914 -0.299 0.000 2.343 428 V HA -0.233 3.885 4.120 -0.003 0.000 0.247 428 V C 2.338 178.334 176.094 -0.163 0.000 1.051 428 V CA 1.447 63.599 62.300 -0.247 0.000 1.036 428 V CB -0.067 31.641 31.823 -0.191 0.000 0.654 428 V HN 0.202 nan 8.190 nan 0.000 0.451 429 V N -0.781 118.986 119.914 -0.244 0.000 2.535 429 V HA -0.134 3.984 4.120 -0.003 0.000 0.246 429 V C 2.318 178.233 176.094 -0.298 0.000 1.045 429 V CA 1.686 63.734 62.300 -0.421 0.000 1.058 429 V CB -0.375 31.048 31.823 -0.667 0.000 0.689 429 V HN 0.502 nan 8.190 nan 0.000 0.461 430 K N -0.557 119.706 120.400 -0.229 0.000 2.137 430 K HA -0.057 4.261 4.320 -0.003 0.000 0.202 430 K C 1.497 178.017 176.600 -0.133 0.000 1.052 430 K CA 1.387 57.579 56.287 -0.158 0.000 0.961 430 K CB 0.019 32.441 32.500 -0.131 0.000 0.741 430 K HN 0.392 nan 8.250 nan 0.000 0.452 431 D N -0.323 119.984 120.400 -0.155 0.000 2.463 431 D HA -0.016 4.622 4.640 -0.003 0.000 0.237 431 D C 1.506 177.690 176.300 -0.193 0.000 1.013 431 D CA 0.274 54.184 54.000 -0.150 0.000 0.910 431 D CB 0.177 40.891 40.800 -0.143 0.000 1.080 431 D HN -0.055 nan 8.370 nan 0.000 0.498 432 L N -0.792 120.261 121.223 -0.284 0.000 2.145 432 L HA 0.206 4.545 4.340 -0.003 0.000 0.201 432 L C 0.083 176.656 176.870 -0.495 0.000 1.075 432 L CA 1.400 55.937 54.840 -0.506 0.000 0.773 432 L CB 0.079 41.663 42.059 -0.792 0.000 0.936 432 L HN -0.167 nan 8.230 nan 0.000 0.451 433 F N -0.219 119.762 119.950 0.052 0.000 2.688 433 F HA 0.412 4.936 4.527 -0.004 0.000 0.376 433 F C -1.752 174.050 175.800 0.003 0.000 1.428 433 F CA -2.289 55.802 58.000 0.150 0.000 1.156 433 F CB -0.375 38.910 39.000 0.475 0.000 1.141 433 F HN -0.010 nan 8.300 nan 0.000 0.521 434 P HA -0.163 nan 4.420 nan 0.000 0.215 434 P C 1.121 178.460 177.300 0.065 0.000 1.153 434 P CA 1.692 64.797 63.100 0.009 0.000 0.853 434 P CB 0.424 32.100 31.700 -0.040 0.000 0.788 435 E N -1.276 118.914 120.200 -0.016 0.000 2.106 435 E HA -0.163 4.185 4.350 -0.003 0.000 0.192 435 E C 2.047 178.717 176.600 0.118 0.000 0.984 435 E CA 1.069 57.451 56.400 -0.029 0.000 0.806 435 E CB -1.071 28.418 29.700 -0.351 0.000 0.750 435 E HN 0.308 nan 8.360 nan 0.000 0.458 436 Y N 0.141 120.585 120.300 0.240 0.000 2.293 436 Y HA -0.161 4.389 4.550 0.000 0.000 0.291 436 Y C 2.380 178.501 175.900 0.368 0.000 1.137 436 Y CA 1.289 59.576 58.100 0.312 0.000 1.202 436 Y CB -0.585 38.223 38.460 0.580 0.000 0.990 436 Y HN 0.316 nan 8.280 nan 0.000 0.537 437 H N 0.017 119.223 119.070 0.227 0.000 2.423 437 H HA -0.163 4.388 4.556 -0.007 0.000 0.297 437 H C 1.877 177.267 175.328 0.103 0.000 1.075 437 H CA 1.560 57.584 56.048 -0.039 0.000 1.342 437 H CB 0.190 29.673 29.762 -0.465 0.000 1.395 437 H HN 0.420 nan 8.280 nan 0.000 0.530 438 Q N 0.256 120.073 119.800 0.028 0.000 2.084 438 Q HA -0.120 4.218 4.340 -0.003 0.000 0.202 438 Q C 2.724 178.679 176.000 -0.074 0.000 0.978 438 Q CA 1.371 57.162 55.803 -0.019 0.000 0.844 438 Q CB 0.182 29.012 28.738 0.153 0.000 0.898 438 Q HN 0.483 nan 8.270 nan 0.000 0.426 439 L N -1.217 119.954 121.223 -0.087 0.000 2.056 439 L HA -0.113 4.225 4.340 -0.003 0.000 0.207 439 L C 0.567 177.266 176.870 -0.284 0.000 1.078 439 L CA 0.600 55.217 54.840 -0.372 0.000 0.749 439 L CB -0.015 41.505 42.059 -0.898 0.000 0.901 439 L HN 0.353 nan 8.230 nan 0.000 0.433 440 W N -0.118 121.329 121.300 0.245 0.000 2.104 440 W HA 0.297 4.958 4.660 0.001 0.000 0.291 440 W C -1.919 174.743 176.519 0.237 0.000 0.936 440 W CA -1.987 55.490 57.345 0.219 0.000 1.856 440 W CB -0.360 29.245 29.460 0.242 0.000 2.036 440 W HN -0.037 nan 8.180 nan 0.000 0.393 441 P HA -0.208 nan 4.420 nan 0.000 0.215 441 P C 1.071 178.545 177.300 0.290 0.000 1.153 441 P CA 1.755 64.869 63.100 0.023 0.000 0.853 441 P CB 0.387 31.999 31.700 -0.147 0.000 0.788 442 N N 0.208 119.040 118.700 0.221 0.000 2.515 442 N HA -0.081 4.657 4.740 -0.003 0.000 0.185 442 N C 1.613 177.169 175.510 0.076 0.000 1.109 442 N CA 0.631 53.770 53.050 0.149 0.000 0.903 442 N CB -0.464 38.107 38.487 0.140 0.000 0.969 442 N HN 0.466 nan 8.380 nan 0.000 0.450 443 K N -0.023 120.449 120.400 0.119 0.000 2.400 443 K HA 0.037 4.355 4.320 -0.003 0.000 0.194 443 K C -0.394 175.957 176.600 -0.414 0.000 1.033 443 K CA 0.096 56.331 56.287 -0.087 0.000 1.021 443 K CB 0.042 32.460 32.500 -0.137 0.000 0.808 443 K HN -0.145 nan 8.250 nan 0.000 0.505 444 F N 2.427 122.261 119.950 -0.192 0.000 2.404 444 F HA 0.337 4.867 4.527 0.004 0.000 0.345 444 F C 0.645 176.111 175.800 -0.557 0.000 1.110 444 F CA -0.497 57.376 58.000 -0.213 0.000 1.130 444 F CB 0.809 39.836 39.000 0.044 0.000 1.129 444 F HN 0.019 nan 8.300 nan 0.000 0.500 445 H N 1.146 120.291 119.070 0.124 0.000 2.941 445 H HA 0.321 4.876 4.556 -0.001 0.000 0.344 445 H C -1.127 174.187 175.328 -0.024 0.000 1.235 445 H CA -1.063 54.998 56.048 0.022 0.000 1.149 445 H CB 2.275 31.991 29.762 -0.076 0.000 1.885 445 H HN 0.490 nan 8.280 nan 0.000 0.558 446 N N 0.637 119.385 118.700 0.079 0.000 2.269 446 N HA 0.345 5.083 4.740 -0.003 0.000 0.304 446 N C -1.644 173.794 175.510 -0.119 0.000 1.072 446 N CA -0.388 52.657 53.050 -0.009 0.000 0.802 446 N CB 2.144 40.630 38.487 -0.001 0.000 1.348 446 N HN 0.199 nan 8.380 nan 0.000 0.484 447 V N 2.509 122.316 119.914 -0.179 0.000 2.445 447 V HA 0.181 4.299 4.120 -0.003 0.000 0.283 447 V C -0.025 176.032 176.094 -0.062 0.000 1.014 447 V CA -0.685 61.440 62.300 -0.291 0.000 0.852 447 V CB 1.214 32.531 31.823 -0.844 0.000 1.021 447 V HN 0.671 nan 8.190 nan 0.000 0.435 448 T N 4.602 119.159 114.554 0.005 0.000 2.928 448 T HA 0.111 4.459 4.350 -0.003 0.000 0.305 448 T C 0.677 175.504 174.700 0.211 0.000 1.035 448 T CA 0.185 62.352 62.100 0.112 0.000 1.145 448 T CB 0.154 69.089 68.868 0.111 0.000 0.963 448 T HN 0.608 nan 8.240 nan 0.000 0.545 449 N N 0.975 119.831 118.700 0.260 0.000 2.231 449 N HA 0.446 5.184 4.740 -0.003 0.000 0.223 449 N C 0.508 176.231 175.510 0.354 0.000 1.329 449 N CA 0.343 53.593 53.050 0.332 0.000 0.889 449 N CB 0.298 38.905 38.487 0.201 0.000 1.125 449 N HN 0.887 nan 8.380 nan 0.000 0.447 450 G N -1.500 107.517 108.800 0.361 0.000 2.608 450 G HA2 0.589 4.547 3.960 -0.003 0.000 0.291 450 G HA3 0.589 4.547 3.960 -0.003 0.000 0.291 450 G C -1.501 173.559 174.900 0.268 0.000 1.425 450 G CA -0.652 44.657 45.100 0.348 0.000 0.787 450 G HN 0.568 nan 8.290 nan 0.000 0.484 451 I N -2.377 118.340 120.570 0.245 0.000 2.865 451 I HA 0.786 4.954 4.170 -0.003 0.000 0.302 451 I C -0.070 176.231 176.117 0.307 0.000 1.140 451 I CA -1.014 60.422 61.300 0.227 0.000 1.021 451 I CB 2.255 40.297 38.000 0.070 0.000 1.233 451 I HN 0.487 nan 8.210 nan 0.000 0.427 452 T N 3.758 118.545 114.554 0.387 0.000 2.794 452 T HA 0.439 4.787 4.350 -0.003 0.000 0.296 452 T C -1.755 173.103 174.700 0.263 0.000 0.949 452 T CA -1.477 60.784 62.100 0.269 0.000 1.101 452 T CB 0.764 69.733 68.868 0.168 0.000 0.905 452 T HN 0.601 nan 8.240 nan 0.000 0.516 453 P HA 0.100 nan 4.420 nan 0.000 0.233 453 P C 1.121 178.460 177.300 0.066 0.000 1.167 453 P CA 0.282 63.493 63.100 0.185 0.000 0.770 453 P CB 0.293 32.104 31.700 0.184 0.000 0.837 454 R N -0.040 120.418 120.500 -0.070 0.000 2.060 454 R HA 0.035 4.373 4.340 -0.003 0.000 0.225 454 R C 2.511 178.726 176.300 -0.142 0.000 1.155 454 R CA 1.413 57.419 56.100 -0.158 0.000 0.930 454 R CB -1.227 28.975 30.300 -0.164 0.000 0.829 454 R HN 0.014 nan 8.270 nan 0.000 0.433 455 R N -0.704 119.651 120.500 -0.242 0.000 2.081 455 R HA -0.142 4.196 4.340 -0.003 0.000 0.235 455 R C 1.284 177.283 176.300 -0.501 0.000 1.131 455 R CA 1.817 57.622 56.100 -0.492 0.000 0.960 455 R CB -0.209 29.586 30.300 -0.842 0.000 0.856 455 R HN 0.305 nan 8.270 nan 0.000 0.436 456 W N -0.735 120.582 121.300 0.028 0.000 3.256 456 W HA 0.266 4.925 4.660 -0.002 0.000 0.269 456 W C 1.172 177.722 176.519 0.052 0.000 1.310 456 W CA -0.355 57.012 57.345 0.037 0.000 1.673 456 W CB 0.424 29.910 29.460 0.043 0.000 1.115 456 W HN 0.118 nan 8.180 nan 0.000 0.686 457 I N -1.965 118.730 120.570 0.208 0.000 3.859 457 I HA -0.033 4.135 4.170 -0.003 0.000 0.266 457 I C 2.136 178.353 176.117 0.167 0.000 1.132 457 I CA -0.068 61.346 61.300 0.191 0.000 1.361 457 I CB -0.126 38.028 38.000 0.257 0.000 1.690 457 I HN -0.377 nan 8.210 nan 0.000 0.424 458 K N 1.218 121.735 120.400 0.195 0.000 2.057 458 K HA -0.211 4.107 4.320 -0.003 0.000 0.207 458 K C 2.096 178.693 176.600 -0.005 0.000 1.049 458 K CA 1.862 58.229 56.287 0.133 0.000 0.931 458 K CB 0.115 32.622 32.500 0.011 0.000 0.714 458 K HN 0.223 nan 8.250 nan 0.000 0.440 459 Q N -0.009 119.749 119.800 -0.071 0.000 2.033 459 Q HA -0.136 4.202 4.340 -0.003 0.000 0.196 459 Q C 2.382 178.316 176.000 -0.110 0.000 0.970 459 Q CA 1.691 57.417 55.803 -0.128 0.000 0.828 459 Q CB 0.044 28.676 28.738 -0.178 0.000 0.895 459 Q HN 0.615 nan 8.270 nan 0.000 0.440 460 C N -0.143 119.101 119.300 -0.094 0.000 2.468 460 C HA 0.224 4.682 4.460 -0.003 0.000 0.277 460 C C 1.108 176.087 174.990 -0.019 0.000 1.400 460 C CA -0.156 58.828 59.018 -0.057 0.000 1.770 460 C CB -0.635 27.094 27.740 -0.018 0.000 1.905 460 C HN 0.334 nan 8.230 nan 0.000 0.519 461 N N 1.350 120.047 118.700 -0.005 0.000 2.757 461 N HA 0.298 5.036 4.740 -0.003 0.000 0.296 461 N C -1.583 173.912 175.510 -0.025 0.000 1.874 461 N CA -1.907 51.132 53.050 -0.018 0.000 0.885 461 N CB 0.617 39.097 38.487 -0.011 0.000 1.242 461 N HN 0.295 nan 8.380 nan 0.000 0.488 462 P HA -0.105 nan 4.420 nan 0.000 0.218 462 P C 1.044 178.326 177.300 -0.030 0.000 1.149 462 P CA 0.826 63.906 63.100 -0.033 0.000 0.817 462 P CB 0.411 32.066 31.700 -0.074 0.000 0.785 463 A N 0.022 122.809 122.820 -0.055 0.000 1.898 463 A HA -0.144 4.174 4.320 -0.003 0.000 0.216 463 A C 2.218 179.738 177.584 -0.105 0.000 1.181 463 A CA 1.427 53.419 52.037 -0.074 0.000 0.620 463 A CB -1.570 17.378 19.000 -0.088 0.000 0.819 463 A HN 0.191 nan 8.150 nan 0.000 0.442 464 L N -0.302 120.844 121.223 -0.129 0.000 2.093 464 L HA 0.036 4.374 4.340 -0.003 0.000 0.208 464 L C 2.606 179.387 176.870 -0.149 0.000 1.085 464 L CA 2.012 56.745 54.840 -0.178 0.000 0.755 464 L CB -0.800 41.137 42.059 -0.204 0.000 0.904 464 L HN 0.324 nan 8.230 nan 0.000 0.435 465 A N -0.218 122.569 122.820 -0.055 0.000 1.908 465 A HA -0.156 4.162 4.320 -0.003 0.000 0.218 465 A C 2.474 180.139 177.584 0.136 0.000 1.181 465 A CA 1.989 54.084 52.037 0.096 0.000 0.627 465 A CB -1.229 17.953 19.000 0.303 0.000 0.818 465 A HN 0.583 nan 8.150 nan 0.000 0.445 466 A N -0.586 122.274 122.820 0.066 0.000 1.902 466 A HA -0.049 4.269 4.320 -0.003 0.000 0.217 466 A C 2.143 179.732 177.584 0.008 0.000 1.181 466 A CA 1.752 53.822 52.037 0.055 0.000 0.623 466 A CB -0.645 18.364 19.000 0.015 0.000 0.818 466 A HN 0.748 nan 8.150 nan 0.000 0.443 467 L N -0.166 121.017 121.223 -0.066 0.000 2.083 467 L HA -0.120 4.218 4.340 -0.003 0.000 0.209 467 L C 2.257 179.066 176.870 -0.103 0.000 1.083 467 L CA 1.615 56.393 54.840 -0.103 0.000 0.752 467 L CB -0.420 41.526 42.059 -0.188 0.000 0.899 467 L HN 0.417 nan 8.230 nan 0.000 0.433 468 L N -0.902 120.210 121.223 -0.185 0.000 2.017 468 L HA -0.210 4.128 4.340 -0.003 0.000 0.208 468 L C 2.322 179.135 176.870 -0.095 0.000 1.073 468 L CA 1.341 55.974 54.840 -0.343 0.000 0.745 468 L CB -0.988 40.462 42.059 -1.015 0.000 0.894 468 L HN 0.263 nan 8.230 nan 0.000 0.432 469 D N 0.368 120.869 120.400 0.168 0.000 2.126 469 D HA -0.261 4.377 4.640 -0.003 0.000 0.190 469 D C 2.095 178.478 176.300 0.138 0.000 1.001 469 D CA 1.572 55.748 54.000 0.292 0.000 0.841 469 D CB -0.116 40.836 40.800 0.253 0.000 0.949 469 D HN 0.261 nan 8.370 nan 0.000 0.446 470 K N 0.324 120.765 120.400 0.068 0.000 2.097 470 K HA -0.033 4.285 4.320 -0.003 0.000 0.205 470 K C 1.878 178.493 176.600 0.025 0.000 1.050 470 K CA 1.130 57.445 56.287 0.046 0.000 0.938 470 K CB 0.165 32.680 32.500 0.025 0.000 0.718 470 K HN -0.063 nan 8.250 nan 0.000 0.442 471 S N 0.396 116.063 115.700 -0.055 0.000 2.478 471 S HA 0.150 4.618 4.470 -0.003 0.000 0.222 471 S C 0.456 175.017 174.600 -0.065 0.000 1.008 471 S CA 0.120 58.199 58.200 -0.202 0.000 0.928 471 S CB 0.129 62.973 63.200 -0.593 0.000 0.781 471 S HN 0.153 nan 8.310 nan 0.000 0.518 472 L N 1.524 122.757 121.223 0.016 0.000 2.334 472 L HA 0.387 4.725 4.340 -0.003 0.000 0.276 472 L C 1.386 178.333 176.870 0.128 0.000 1.014 472 L CA -0.487 54.409 54.840 0.092 0.000 0.815 472 L CB 1.410 43.539 42.059 0.116 0.000 1.268 472 L HN 0.019 nan 8.230 nan 0.000 0.428 473 Q N 2.131 122.004 119.800 0.121 0.000 2.084 473 Q HA -0.050 4.288 4.340 -0.003 0.000 0.202 473 Q C 0.013 176.077 176.000 0.107 0.000 0.978 473 Q CA 1.380 57.245 55.803 0.104 0.000 0.844 473 Q CB 0.421 29.210 28.738 0.085 0.000 0.898 473 Q HN 0.541 nan 8.270 nan 0.000 0.426 474 K N 0.716 121.190 120.400 0.124 0.000 2.258 474 K HA 0.189 4.507 4.320 -0.003 0.000 0.236 474 K C -0.780 175.907 176.600 0.146 0.000 1.008 474 K CA -0.709 55.645 56.287 0.112 0.000 0.869 474 K CB 1.300 33.854 32.500 0.091 0.000 1.171 474 K HN -0.072 nan 8.250 nan 0.000 0.447 475 E N 1.876 122.123 120.200 0.078 0.000 2.417 475 E HA -0.086 4.262 4.350 -0.003 0.000 0.261 475 E C 0.077 176.680 176.600 0.006 0.000 1.000 475 E CA 0.148 56.541 56.400 -0.012 0.000 0.919 475 E CB 0.300 29.975 29.700 -0.042 0.000 0.955 475 E HN 0.629 nan 8.360 nan 0.000 0.455 476 W N 3.803 125.112 121.300 0.014 0.000 3.013 476 W HA 0.348 5.005 4.660 -0.004 0.000 0.280 476 W C 0.931 177.417 176.519 -0.057 0.000 1.249 476 W CA 0.312 57.652 57.345 -0.008 0.000 1.577 476 W CB -0.670 28.790 29.460 0.000 0.000 1.057 476 W HN 0.593 nan 8.180 nan 0.000 0.613 477 A N 2.964 125.134 122.820 -1.083 0.000 2.019 477 A HA -0.255 4.063 4.320 -0.003 0.000 0.219 477 A C 1.491 178.695 177.584 -0.633 0.000 1.164 477 A CA 1.963 53.323 52.037 -1.128 0.000 0.644 477 A CB -0.984 17.076 19.000 -1.568 0.000 0.805 477 A HN 0.413 nan 8.150 nan 0.000 0.449 478 N N -1.624 116.838 118.700 -0.397 0.000 2.351 478 N HA 0.182 4.920 4.740 -0.003 0.000 0.254 478 N C -0.903 174.573 175.510 -0.056 0.000 1.241 478 N CA 0.186 53.128 53.050 -0.180 0.000 0.883 478 N CB 0.440 38.889 38.487 -0.063 0.000 1.202 478 N HN 0.131 nan 8.380 nan 0.000 0.512 479 D N 0.226 120.613 120.400 -0.022 0.000 3.285 479 D HA 0.086 4.724 4.640 -0.003 0.000 0.273 479 D C 0.340 176.702 176.300 0.102 0.000 1.295 479 D CA -0.397 53.626 54.000 0.037 0.000 0.762 479 D CB 0.066 40.889 40.800 0.038 0.000 1.379 479 D HN -0.013 nan 8.370 nan 0.000 0.612 480 L N 0.915 122.204 121.223 0.111 0.000 2.191 480 L HA -0.035 4.303 4.340 -0.003 0.000 0.212 480 L C 1.448 178.391 176.870 0.120 0.000 1.103 480 L CA 1.627 56.569 54.840 0.169 0.000 0.769 480 L CB -0.088 42.065 42.059 0.157 0.000 0.908 480 L HN 0.208 nan 8.230 nan 0.000 0.438 481 D N -0.741 119.702 120.400 0.071 0.000 2.271 481 D HA -0.208 4.431 4.640 -0.003 0.000 0.207 481 D C 1.956 178.293 176.300 0.060 0.000 0.983 481 D CA 0.700 54.726 54.000 0.044 0.000 0.878 481 D CB 0.028 40.840 40.800 0.020 0.000 0.920 481 D HN 0.449 nan 8.370 nan 0.000 0.479 482 Q N -0.075 119.784 119.800 0.098 0.000 2.291 482 Q HA -0.095 4.243 4.340 -0.003 0.000 0.206 482 Q C 2.170 178.220 176.000 0.083 0.000 0.976 482 Q CA 0.269 56.136 55.803 0.106 0.000 0.875 482 Q CB -0.231 28.608 28.738 0.168 0.000 0.927 482 Q HN 0.310 nan 8.270 nan 0.000 0.450 483 L N 0.276 121.543 121.223 0.073 0.000 2.187 483 L HA -0.171 4.167 4.340 -0.003 0.000 0.213 483 L C 2.113 178.992 176.870 0.015 0.000 1.100 483 L CA 0.924 55.775 54.840 0.018 0.000 0.765 483 L CB -0.774 41.292 42.059 0.012 0.000 0.904 483 L HN 0.189 nan 8.230 nan 0.000 0.437 484 I N -0.223 120.362 120.570 0.024 0.000 2.567 484 I HA -0.259 3.909 4.170 -0.003 0.000 0.257 484 I C 2.010 178.137 176.117 0.016 0.000 1.184 484 I CA 1.187 62.494 61.300 0.012 0.000 1.451 484 I CB -0.462 37.542 38.000 0.006 0.000 1.089 484 I HN 0.351 nan 8.210 nan 0.000 0.441 485 N N 0.226 118.948 118.700 0.036 0.000 2.520 485 N HA -0.086 4.652 4.740 -0.003 0.000 0.185 485 N C 1.728 177.311 175.510 0.121 0.000 1.068 485 N CA 0.840 53.928 53.050 0.064 0.000 0.911 485 N CB -0.120 38.421 38.487 0.089 0.000 0.961 485 N HN 0.439 nan 8.380 nan 0.000 0.446 486 L N 0.928 122.193 121.223 0.070 0.000 2.395 486 L HA -0.032 4.306 4.340 -0.003 0.000 0.218 486 L C 2.020 178.918 176.870 0.046 0.000 1.130 486 L CA 0.478 55.364 54.840 0.078 0.000 0.826 486 L CB -0.164 41.859 42.059 -0.060 0.000 0.941 486 L HN 0.121 nan 8.230 nan 0.000 0.451 487 E N 1.016 121.210 120.200 -0.011 0.000 2.065 487 E HA -0.311 4.037 4.350 -0.003 0.000 0.201 487 E C 2.021 178.553 176.600 -0.113 0.000 1.016 487 E CA 2.067 58.429 56.400 -0.064 0.000 0.818 487 E CB -0.099 29.566 29.700 -0.059 0.000 0.749 487 E HN 0.582 nan 8.360 nan 0.000 0.453 488 K N 0.122 120.426 120.400 -0.160 0.000 2.211 488 K HA -0.139 4.179 4.320 -0.003 0.000 0.204 488 K C 1.734 178.113 176.600 -0.368 0.000 1.047 488 K CA 1.470 57.591 56.287 -0.277 0.000 0.935 488 K CB -0.363 31.909 32.500 -0.380 0.000 0.728 488 K HN 0.052 nan 8.250 nan 0.000 0.452 489 F N 1.757 121.469 119.950 -0.397 0.000 2.502 489 F HA 0.063 4.588 4.527 -0.004 0.000 0.298 489 F C 2.471 177.993 175.800 -0.463 0.000 1.111 489 F CA 0.661 58.283 58.000 -0.629 0.000 1.445 489 F CB -0.195 37.928 39.000 -1.463 0.000 1.081 489 F HN 0.116 nan 8.300 nan 0.000 0.558 490 A N -0.434 122.286 122.820 -0.167 0.000 2.178 490 A HA -0.147 4.171 4.320 -0.003 0.000 0.218 490 A C 1.442 178.998 177.584 -0.047 0.000 1.157 490 A CA 1.693 53.681 52.037 -0.081 0.000 0.689 490 A CB -0.516 18.422 19.000 -0.102 0.000 0.787 490 A HN 0.221 nan 8.150 nan 0.000 0.465 491 D N -0.492 119.861 120.400 -0.078 0.000 2.360 491 D HA 0.076 4.714 4.640 -0.003 0.000 0.210 491 D C -0.190 176.093 176.300 -0.028 0.000 1.047 491 D CA 0.184 54.149 54.000 -0.058 0.000 0.854 491 D CB 0.101 40.848 40.800 -0.089 0.000 0.936 491 D HN 0.398 nan 8.370 nan 0.000 0.514 492 D N 0.151 120.552 120.400 0.002 0.000 2.313 492 D HA 0.334 4.972 4.640 -0.003 0.000 0.239 492 D C 1.092 177.475 176.300 0.138 0.000 1.142 492 D CA -0.431 53.609 54.000 0.066 0.000 0.847 492 D CB 1.416 42.282 40.800 0.111 0.000 1.082 492 D HN -0.074 nan 8.370 nan 0.000 0.480 493 A N 5.000 127.875 122.820 0.090 0.000 1.933 493 A HA -0.174 4.144 4.320 -0.003 0.000 0.218 493 A C 1.978 179.626 177.584 0.107 0.000 1.175 493 A CA 1.402 53.490 52.037 0.085 0.000 0.628 493 A CB -0.407 18.623 19.000 0.049 0.000 0.814 493 A HN 0.648 nan 8.150 nan 0.000 0.444 494 K N -1.563 118.909 120.400 0.119 0.000 2.097 494 K HA -0.144 4.174 4.320 -0.003 0.000 0.205 494 K C 1.796 178.484 176.600 0.147 0.000 1.050 494 K CA 1.525 57.879 56.287 0.111 0.000 0.938 494 K CB -0.312 32.250 32.500 0.103 0.000 0.718 494 K HN 0.409 nan 8.250 nan 0.000 0.442 495 F N 1.830 121.833 119.950 0.089 0.000 2.134 495 F HA -0.127 4.398 4.527 -0.003 0.000 0.299 495 F C 2.171 178.022 175.800 0.086 0.000 1.097 495 F CA 1.399 59.460 58.000 0.101 0.000 1.264 495 F CB 0.019 39.128 39.000 0.181 0.000 1.001 495 F HN -0.051 nan 8.300 nan 0.000 0.479 496 R N -0.123 120.544 120.500 0.277 0.000 2.081 496 R HA -0.214 4.124 4.340 -0.003 0.000 0.235 496 R C 2.362 178.707 176.300 0.074 0.000 1.131 496 R CA 1.664 57.862 56.100 0.163 0.000 0.960 496 R CB -0.695 29.682 30.300 0.129 0.000 0.856 496 R HN 0.468 nan 8.270 nan 0.000 0.436 497 Q N 0.977 120.806 119.800 0.049 0.000 2.050 497 Q HA -0.228 4.110 4.340 -0.003 0.000 0.202 497 Q C 2.030 178.012 176.000 -0.030 0.000 0.980 497 Q CA 1.622 57.433 55.803 0.013 0.000 0.840 497 Q CB 0.088 28.833 28.738 0.012 0.000 0.898 497 Q HN 0.445 nan 8.270 nan 0.000 0.424 498 Q N -0.802 118.947 119.800 -0.084 0.000 2.061 498 Q HA -0.226 4.112 4.340 -0.003 0.000 0.204 498 Q C 1.923 177.821 176.000 -0.170 0.000 0.984 498 Q CA 1.778 57.491 55.803 -0.150 0.000 0.846 498 Q CB -0.301 28.298 28.738 -0.232 0.000 0.902 498 Q HN 0.462 nan 8.270 nan 0.000 0.421 499 Y N 1.296 121.362 120.300 -0.389 0.000 2.165 499 Y HA -0.261 4.287 4.550 -0.003 0.000 0.286 499 Y C 2.474 178.293 175.900 -0.136 0.000 1.155 499 Y CA 1.822 59.738 58.100 -0.307 0.000 1.164 499 Y CB -0.039 38.232 38.460 -0.316 0.000 0.978 499 Y HN -0.056 nan 8.280 nan 0.000 0.513 500 R N 0.403 120.984 120.500 0.135 0.000 2.092 500 R HA -0.168 4.170 4.340 -0.003 0.000 0.231 500 R C 2.005 178.283 176.300 -0.038 0.000 1.119 500 R CA 1.905 58.052 56.100 0.077 0.000 0.970 500 R CB -0.254 30.090 30.300 0.073 0.000 0.864 500 R HN 0.461 nan 8.270 nan 0.000 0.440 501 E N 0.182 120.346 120.200 -0.060 0.000 2.150 501 E HA -0.161 4.187 4.350 -0.003 0.000 0.193 501 E C 1.972 178.508 176.600 -0.107 0.000 0.985 501 E CA 1.217 57.571 56.400 -0.077 0.000 0.814 501 E CB -0.020 29.640 29.700 -0.068 0.000 0.752 501 E HN 0.411 nan 8.360 nan 0.000 0.466 502 I N 0.942 121.419 120.570 -0.155 0.000 2.202 502 I HA -0.258 3.910 4.170 -0.003 0.000 0.242 502 I C 2.402 178.414 176.117 -0.175 0.000 1.091 502 I CA 0.866 62.057 61.300 -0.183 0.000 1.368 502 I CB -0.092 37.747 38.000 -0.267 0.000 1.058 502 I HN -0.024 nan 8.210 nan 0.000 0.410 503 K N 0.852 121.131 120.400 -0.202 0.000 2.044 503 K HA -0.232 4.086 4.320 -0.003 0.000 0.210 503 K C 2.124 178.652 176.600 -0.119 0.000 1.049 503 K CA 1.727 57.928 56.287 -0.143 0.000 0.927 503 K CB -0.295 32.159 32.500 -0.077 0.000 0.713 503 K HN 0.198 nan 8.250 nan 0.000 0.443 504 Q N -0.360 119.371 119.800 -0.115 0.000 2.124 504 Q HA -0.027 4.311 4.340 -0.003 0.000 0.202 504 Q C 2.118 178.057 176.000 -0.101 0.000 0.977 504 Q CA 1.582 57.309 55.803 -0.127 0.000 0.850 504 Q CB -0.404 28.271 28.738 -0.105 0.000 0.901 504 Q HN 0.450 nan 8.270 nan 0.000 0.429 505 A N 1.516 124.288 122.820 -0.080 0.000 1.930 505 A HA -0.175 4.143 4.320 -0.003 0.000 0.217 505 A C 1.832 179.394 177.584 -0.038 0.000 1.175 505 A CA 1.338 53.343 52.037 -0.053 0.000 0.627 505 A CB -0.373 18.596 19.000 -0.053 0.000 0.815 505 A HN 0.297 nan 8.150 nan 0.000 0.443 506 N N 0.298 118.967 118.700 -0.051 0.000 2.166 506 N HA -0.131 4.607 4.740 -0.003 0.000 0.186 506 N C 1.538 177.061 175.510 0.022 0.000 1.019 506 N CA 1.539 54.578 53.050 -0.018 0.000 0.856 506 N CB -0.333 38.136 38.487 -0.030 0.000 0.993 506 N HN 0.578 nan 8.380 nan 0.000 0.426 507 K N 0.274 120.650 120.400 -0.039 0.000 2.148 507 K HA 0.017 4.335 4.320 -0.003 0.000 0.204 507 K C 1.906 178.566 176.600 0.100 0.000 1.050 507 K CA 0.529 56.796 56.287 -0.034 0.000 0.942 507 K CB -0.003 32.187 32.500 -0.517 0.000 0.724 507 K HN -0.042 nan 8.250 nan 0.000 0.446 508 V N 1.377 121.309 119.914 0.030 0.000 2.427 508 V HA -0.200 3.918 4.120 -0.003 0.000 0.248 508 V C 2.199 178.354 176.094 0.101 0.000 1.051 508 V CA 1.532 63.871 62.300 0.066 0.000 1.048 508 V CB -0.392 31.445 31.823 0.023 0.000 0.666 508 V HN 0.269 nan 8.190 nan 0.000 0.456 509 R N -0.591 119.960 120.500 0.084 0.000 2.075 509 R HA -0.127 4.211 4.340 -0.003 0.000 0.232 509 R C 2.251 178.640 176.300 0.147 0.000 1.126 509 R CA 1.483 57.638 56.100 0.092 0.000 0.963 509 R CB -0.517 29.814 30.300 0.052 0.000 0.858 509 R HN 0.401 nan 8.270 nan 0.000 0.435 510 L N 0.879 122.211 121.223 0.182 0.000 2.046 510 L HA -0.071 4.267 4.340 -0.003 0.000 0.208 510 L C 2.268 179.294 176.870 0.260 0.000 1.077 510 L CA 1.901 56.887 54.840 0.243 0.000 0.747 510 L CB -0.605 41.620 42.059 0.276 0.000 0.896 510 L HN 0.097 nan 8.230 nan 0.000 0.432 511 A N -0.561 122.411 122.820 0.253 0.000 1.948 511 A HA -0.270 4.048 4.320 -0.003 0.000 0.220 511 A C 2.124 179.795 177.584 0.144 0.000 1.177 511 A CA 2.077 54.227 52.037 0.187 0.000 0.636 511 A CB -0.669 18.455 19.000 0.207 0.000 0.815 511 A HN 0.669 nan 8.150 nan 0.000 0.449 512 E N -1.485 118.808 120.200 0.155 0.000 2.028 512 E HA -0.152 4.196 4.350 -0.003 0.000 0.191 512 E C 1.795 178.494 176.600 0.165 0.000 0.988 512 E CA 1.239 57.718 56.400 0.133 0.000 0.799 512 E CB -0.330 29.445 29.700 0.126 0.000 0.755 512 E HN 0.654 nan 8.360 nan 0.000 0.447 513 F N 1.551 121.534 119.950 0.055 0.000 2.120 513 F HA -0.250 4.275 4.527 -0.003 0.000 0.300 513 F C 2.113 177.943 175.800 0.051 0.000 1.095 513 F CA 1.139 59.172 58.000 0.054 0.000 1.249 513 F CB -0.312 38.726 39.000 0.063 0.000 0.995 513 F HN -0.191 nan 8.300 nan 0.000 0.480 514 V N 0.596 120.553 119.914 0.072 0.000 2.343 514 V HA -0.328 3.790 4.120 -0.003 0.000 0.247 514 V C 2.468 178.520 176.094 -0.071 0.000 1.051 514 V CA 2.315 64.590 62.300 -0.042 0.000 1.036 514 V CB -0.753 31.082 31.823 0.019 0.000 0.654 514 V HN 0.362 nan 8.190 nan 0.000 0.451 515 K N 0.461 120.851 120.400 -0.016 0.000 2.057 515 K HA -0.171 4.147 4.320 -0.003 0.000 0.207 515 K C 2.088 178.663 176.600 -0.042 0.000 1.049 515 K CA 1.963 58.243 56.287 -0.013 0.000 0.931 515 K CB -0.256 32.255 32.500 0.018 0.000 0.714 515 K HN 0.437 nan 8.250 nan 0.000 0.440 516 V N -0.515 119.360 119.914 -0.066 0.000 2.453 516 V HA -0.055 4.063 4.120 -0.003 0.000 0.247 516 V C 1.867 177.876 176.094 -0.142 0.000 1.048 516 V CA 1.113 63.364 62.300 -0.081 0.000 1.049 516 V CB -0.434 31.360 31.823 -0.049 0.000 0.672 516 V HN 0.244 nan 8.190 nan 0.000 0.457 517 R N 1.170 121.510 120.500 -0.266 0.000 2.240 517 R HA 0.089 4.427 4.340 -0.003 0.000 0.203 517 R C 1.963 178.191 176.300 -0.121 0.000 1.011 517 R CA 1.444 57.389 56.100 -0.259 0.000 1.007 517 R CB -0.307 29.711 30.300 -0.470 0.000 0.911 517 R HN 0.836 nan 8.270 nan 0.000 0.468 518 T N -6.148 108.358 114.554 -0.081 0.000 3.092 518 T HA 0.200 4.548 4.350 -0.003 0.000 0.273 518 T C 1.259 175.956 174.700 -0.005 0.000 0.898 518 T CA 0.608 62.698 62.100 -0.016 0.000 0.868 518 T CB 0.861 69.739 68.868 0.016 0.000 1.228 518 T HN 0.238 nan 8.240 nan 0.000 0.555 519 G N 1.906 110.696 108.800 -0.017 0.000 2.212 519 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.266 519 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.266 519 G C 0.055 174.956 174.900 0.002 0.000 0.978 519 G CA 0.332 45.429 45.100 -0.004 0.000 0.632 519 G HN 0.715 nan 8.290 nan 0.000 0.537 520 I N 0.949 121.519 120.570 0.001 0.000 2.519 520 I HA 0.336 4.504 4.170 -0.003 0.000 0.287 520 I C 0.640 176.758 176.117 0.002 0.000 1.047 520 I CA -0.193 61.109 61.300 0.002 0.000 1.381 520 I CB 1.302 39.303 38.000 0.002 0.000 1.417 520 I HN 0.175 nan 8.210 nan 0.000 0.540 521 E N 7.100 127.304 120.200 0.006 0.000 2.081 521 E HA 0.417 4.765 4.350 -0.003 0.000 0.276 521 E C -0.899 175.710 176.600 0.014 0.000 0.950 521 E CA -0.612 55.798 56.400 0.016 0.000 0.776 521 E CB 0.897 30.609 29.700 0.019 0.000 1.094 521 E HN 0.486 nan 8.360 nan 0.000 0.402 522 I N 1.440 122.023 120.570 0.021 0.000 2.460 522 I HA 0.518 4.686 4.170 -0.003 0.000 0.298 522 I C -0.432 175.752 176.117 0.111 0.000 0.989 522 I CA -1.161 60.152 61.300 0.022 0.000 1.173 522 I CB 1.648 39.593 38.000 -0.092 0.000 1.338 522 I HN 0.283 nan 8.210 nan 0.000 0.456 523 N N 6.365 125.141 118.700 0.128 0.000 2.422 523 N HA 0.395 5.133 4.740 -0.003 0.000 0.264 523 N C -2.034 173.612 175.510 0.228 0.000 1.063 523 N CA -2.353 50.780 53.050 0.138 0.000 0.959 523 N CB 1.190 39.721 38.487 0.073 0.000 1.087 523 N HN 0.387 nan 8.380 nan 0.000 0.483 524 P HA -0.013 nan 4.420 nan 0.000 0.242 524 P C 0.359 177.562 177.300 -0.161 0.000 1.197 524 P CA 0.738 63.805 63.100 -0.056 0.000 0.765 524 P CB 0.323 31.993 31.700 -0.049 0.000 0.936 525 Q N -0.946 118.823 119.800 -0.052 0.000 2.425 525 Q HA 0.188 4.526 4.340 -0.003 0.000 0.204 525 Q C 0.963 176.923 176.000 -0.067 0.000 0.933 525 Q CA 0.098 55.866 55.803 -0.058 0.000 0.939 525 Q CB 0.055 28.780 28.738 -0.022 0.000 1.044 525 Q HN 0.179 nan 8.270 nan 0.000 0.513 526 A N 1.044 123.837 122.820 -0.046 0.000 2.287 526 A HA 0.396 4.714 4.320 -0.003 0.000 0.273 526 A C 0.130 177.584 177.584 -0.217 0.000 1.091 526 A CA -0.502 51.489 52.037 -0.076 0.000 0.817 526 A CB 0.278 19.305 19.000 0.046 0.000 1.069 526 A HN 0.231 nan 8.150 nan 0.000 0.492 527 I N 1.238 121.548 120.570 -0.432 0.000 2.533 527 I HA 0.053 4.221 4.170 -0.003 0.000 0.284 527 I C -0.748 175.295 176.117 -0.124 0.000 1.109 527 I CA 0.195 61.142 61.300 -0.588 0.000 1.412 527 I CB 0.185 37.686 38.000 -0.831 0.000 1.396 527 I HN 0.364 nan 8.210 nan 0.000 0.543 528 F N 5.055 124.809 119.950 -0.327 0.000 2.375 528 F HA 0.206 4.731 4.527 -0.004 0.000 0.362 528 F C 0.562 176.201 175.800 -0.269 0.000 1.129 528 F CA -0.960 56.889 58.000 -0.252 0.000 1.154 528 F CB 0.164 39.086 39.000 -0.130 0.000 1.205 528 F HN 0.372 nan 8.300 nan 0.000 0.513 529 D N 5.649 125.889 120.400 -0.267 0.000 2.373 529 D HA 0.345 4.983 4.640 -0.003 0.000 0.227 529 D C -0.553 175.594 176.300 -0.254 0.000 1.091 529 D CA -0.074 53.730 54.000 -0.328 0.000 0.840 529 D CB 0.785 41.127 40.800 -0.764 0.000 1.060 529 D HN 0.330 nan 8.370 nan 0.000 0.502 530 I N 2.903 123.380 120.570 -0.155 0.000 2.436 530 I HA 0.245 4.413 4.170 -0.003 0.000 0.289 530 I C -0.093 175.903 176.117 -0.201 0.000 1.010 530 I CA -0.740 60.450 61.300 -0.184 0.000 1.098 530 I CB 2.234 40.180 38.000 -0.089 0.000 1.266 530 I HN 0.191 nan 8.210 nan 0.000 0.434 531 Q N 7.737 127.337 119.800 -0.333 0.000 2.363 531 Q HA 0.598 4.936 4.340 -0.003 0.000 0.265 531 Q C -1.363 174.472 176.000 -0.274 0.000 1.032 531 Q CA -0.555 55.082 55.803 -0.277 0.000 0.746 531 Q CB 1.724 30.275 28.738 -0.312 0.000 1.237 531 Q HN 0.713 nan 8.270 nan 0.000 0.475 532 I N 1.836 122.254 120.570 -0.253 0.000 2.478 532 I HA 0.709 4.877 4.170 -0.003 0.000 0.287 532 I C -1.222 174.702 176.117 -0.322 0.000 1.042 532 I CA -0.710 60.321 61.300 -0.448 0.000 1.067 532 I CB 1.486 39.188 38.000 -0.497 0.000 1.233 532 I HN 0.563 nan 8.210 nan 0.000 0.431 533 K N 3.516 123.732 120.400 -0.307 0.000 3.191 533 K HA 0.329 4.647 4.320 -0.003 0.000 0.325 533 K C -1.448 175.152 176.600 0.000 0.000 1.105 533 K CA -1.190 55.068 56.287 -0.049 0.000 0.843 533 K CB 0.634 33.094 32.500 -0.067 0.000 1.452 533 K HN 0.641 nan 8.250 nan 0.000 0.393 534 R N 0.439 120.974 120.500 0.059 0.000 2.756 534 R HA 0.086 4.424 4.340 -0.003 0.000 0.264 534 R C 0.006 176.316 176.300 0.016 0.000 1.026 534 R CA -0.699 55.446 56.100 0.076 0.000 1.121 534 R CB 0.117 30.471 30.300 0.091 0.000 0.999 534 R HN 0.347 nan 8.270 nan 0.000 0.449 535 L N 4.375 125.617 121.223 0.032 0.000 2.385 535 L HA 0.137 4.475 4.340 -0.003 0.000 0.281 535 L C -0.450 176.343 176.870 -0.129 0.000 1.106 535 L CA 0.708 55.513 54.840 -0.060 0.000 0.856 535 L CB -0.230 41.798 42.059 -0.051 0.000 1.186 535 L HN 0.599 nan 8.230 nan 0.000 0.453 536 H N 3.321 122.227 119.070 -0.274 0.000 2.894 536 H HA 0.163 4.718 4.556 -0.003 0.000 0.367 536 H C 0.403 175.525 175.328 -0.342 0.000 1.144 536 H CA -0.381 55.515 56.048 -0.254 0.000 1.180 536 H CB 1.689 31.256 29.762 -0.327 0.000 1.758 536 H HN 0.673 nan 8.280 nan 0.000 0.541 537 E N 2.168 122.370 120.200 0.003 0.000 2.097 537 E HA -0.257 4.091 4.350 -0.003 0.000 0.196 537 E C 1.286 177.716 176.600 -0.283 0.000 1.000 537 E CA 1.992 58.329 56.400 -0.106 0.000 0.804 537 E CB -0.019 29.692 29.700 0.019 0.000 0.740 537 E HN 0.594 nan 8.360 nan 0.000 0.454 538 Y N 0.174 120.176 120.300 -0.496 0.000 2.421 538 Y HA -0.006 4.543 4.550 -0.001 0.000 0.292 538 Y C 1.477 177.237 175.900 -0.233 0.000 1.136 538 Y CA 0.799 58.467 58.100 -0.719 0.000 1.255 538 Y CB -0.154 37.924 38.460 -0.637 0.000 0.991 538 Y HN -0.179 nan 8.280 nan 0.000 0.552 539 K N 0.690 120.753 120.400 -0.562 0.000 2.418 539 K HA 0.092 4.410 4.320 -0.003 0.000 0.195 539 K C 0.163 176.701 176.600 -0.104 0.000 1.035 539 K CA 0.429 56.504 56.287 -0.355 0.000 1.003 539 K CB -0.002 32.239 32.500 -0.432 0.000 0.793 539 K HN 0.222 nan 8.250 nan 0.000 0.494 540 R N 0.464 120.961 120.500 -0.005 0.000 3.336 540 R HA -0.233 4.106 4.340 -0.003 0.000 0.260 540 R C 0.330 176.720 176.300 0.151 0.000 1.032 540 R CA 0.192 56.387 56.100 0.159 0.000 0.693 540 R CB -1.876 28.433 30.300 0.016 0.000 1.134 540 R HN 0.289 nan 8.270 nan 0.000 0.433 541 Q N 0.008 119.893 119.800 0.142 0.000 2.181 541 Q HA -0.179 4.159 4.340 -0.003 0.000 0.205 541 Q C 2.086 178.190 176.000 0.173 0.000 0.980 541 Q CA 2.026 57.916 55.803 0.145 0.000 0.862 541 Q CB -0.184 28.570 28.738 0.028 0.000 0.905 541 Q HN 0.702 nan 8.270 nan 0.000 0.429 542 H N -0.757 118.283 119.070 -0.049 0.000 2.457 542 H HA -0.080 4.474 4.556 -0.004 0.000 0.294 542 H C 1.853 177.188 175.328 0.011 0.000 1.064 542 H CA 1.064 57.082 56.048 -0.050 0.000 1.330 542 H CB -0.742 28.988 29.762 -0.053 0.000 1.395 542 H HN 0.257 nan 8.280 nan 0.000 0.541 543 L N 1.457 122.638 121.223 -0.070 0.000 2.046 543 L HA -0.109 4.229 4.340 -0.003 0.000 0.208 543 L C 2.189 179.135 176.870 0.127 0.000 1.077 543 L CA 1.983 56.811 54.840 -0.020 0.000 0.747 543 L CB -1.198 40.773 42.059 -0.147 0.000 0.896 543 L HN 0.401 nan 8.230 nan 0.000 0.432 544 N N -1.029 117.737 118.700 0.111 0.000 2.043 544 N HA -0.266 4.472 4.740 -0.003 0.000 0.193 544 N C 1.983 177.587 175.510 0.156 0.000 1.037 544 N CA 1.478 54.665 53.050 0.229 0.000 0.851 544 N CB -0.208 38.419 38.487 0.234 0.000 1.027 544 N HN 0.348 nan 8.380 nan 0.000 0.422 545 L N 1.443 122.723 121.223 0.096 0.000 2.013 545 L HA -0.156 4.182 4.340 -0.003 0.000 0.212 545 L C 1.984 178.833 176.870 -0.036 0.000 1.073 545 L CA 1.493 56.301 54.840 -0.052 0.000 0.753 545 L CB -0.641 41.331 42.059 -0.144 0.000 0.890 545 L HN 0.311 nan 8.230 nan 0.000 0.432 546 L N -1.232 120.040 121.223 0.081 0.000 2.042 546 L HA -0.284 4.054 4.340 -0.003 0.000 0.210 546 L C 2.699 179.765 176.870 0.327 0.000 1.076 546 L CA 1.842 56.784 54.840 0.170 0.000 0.749 546 L CB -1.064 41.113 42.059 0.196 0.000 0.893 546 L HN 0.539 nan 8.230 nan 0.000 0.432 547 H N 0.531 119.742 119.070 0.235 0.000 2.389 547 H HA -0.135 4.420 4.556 -0.003 0.000 0.299 547 H C 2.348 177.614 175.328 -0.104 0.000 1.081 547 H CA 1.534 57.620 56.048 0.062 0.000 1.345 547 H CB 0.237 29.971 29.762 -0.046 0.000 1.393 547 H HN 0.293 nan 8.280 nan 0.000 0.520 548 I N 0.734 121.076 120.570 -0.380 0.000 2.226 548 I HA -0.304 3.864 4.170 -0.003 0.000 0.245 548 I C 2.576 178.535 176.117 -0.265 0.000 1.100 548 I CA 0.816 61.764 61.300 -0.587 0.000 1.374 548 I CB -0.213 37.392 38.000 -0.658 0.000 1.057 548 I HN 0.234 nan 8.210 nan 0.000 0.413 549 L N 0.494 121.637 121.223 -0.132 0.000 2.079 549 L HA -0.227 4.111 4.340 -0.003 0.000 0.210 549 L C 2.850 179.751 176.870 0.052 0.000 1.081 549 L CA 1.376 56.219 54.840 0.005 0.000 0.752 549 L CB -0.726 41.325 42.059 -0.013 0.000 0.896 549 L HN 0.256 nan 8.230 nan 0.000 0.433 550 A N -0.000 122.845 122.820 0.043 0.000 1.877 550 A HA -0.185 4.133 4.320 -0.003 0.000 0.216 550 A C 2.267 179.845 177.584 -0.010 0.000 1.186 550 A CA 1.490 53.572 52.037 0.075 0.000 0.620 550 A CB -0.722 18.403 19.000 0.209 0.000 0.822 550 A HN 0.352 nan 8.150 nan 0.000 0.443 551 L N -1.917 119.225 121.223 -0.136 0.000 2.046 551 L HA -0.193 4.145 4.340 -0.003 0.000 0.208 551 L C 2.627 179.523 176.870 0.044 0.000 1.077 551 L CA 1.638 56.419 54.840 -0.097 0.000 0.747 551 L CB -0.543 41.404 42.059 -0.186 0.000 0.896 551 L HN 0.607 nan 8.230 nan 0.000 0.432 552 Y N 1.170 121.414 120.300 -0.095 0.000 2.181 552 Y HA -0.299 4.249 4.550 -0.004 0.000 0.288 552 Y C 2.617 178.510 175.900 -0.011 0.000 1.146 552 Y CA 1.721 59.795 58.100 -0.043 0.000 1.164 552 Y CB -0.362 38.074 38.460 -0.041 0.000 0.982 552 Y HN 0.065 nan 8.280 nan 0.000 0.515 553 K N 0.378 120.735 120.400 -0.072 0.000 2.026 553 K HA -0.253 4.065 4.320 -0.003 0.000 0.208 553 K C 2.233 178.784 176.600 -0.082 0.000 1.048 553 K CA 1.766 57.962 56.287 -0.152 0.000 0.929 553 K CB -0.350 32.111 32.500 -0.065 0.000 0.713 553 K HN 0.482 nan 8.250 nan 0.000 0.439 554 E N 1.021 121.207 120.200 -0.023 0.000 2.070 554 E HA -0.217 4.131 4.350 -0.003 0.000 0.197 554 E C 2.063 178.658 176.600 -0.008 0.000 1.004 554 E CA 1.892 58.287 56.400 -0.009 0.000 0.805 554 E CB -0.269 29.433 29.700 0.003 0.000 0.744 554 E HN 0.597 nan 8.360 nan 0.000 0.451 555 I N -2.040 118.538 120.570 0.013 0.000 2.546 555 I HA -0.123 4.045 4.170 -0.003 0.000 0.255 555 I C 2.177 178.299 176.117 0.009 0.000 1.163 555 I CA 0.852 62.169 61.300 0.029 0.000 1.457 555 I CB -0.300 37.740 38.000 0.068 0.000 1.092 555 I HN -0.012 nan 8.210 nan 0.000 0.434 556 R N 1.357 121.830 120.500 -0.045 0.000 2.090 556 R HA -0.031 4.307 4.340 -0.003 0.000 0.228 556 R C 1.541 177.806 176.300 -0.059 0.000 1.110 556 R CA 1.509 57.561 56.100 -0.080 0.000 0.973 556 R CB -0.125 30.046 30.300 -0.216 0.000 0.869 556 R HN 0.543 nan 8.270 nan 0.000 0.440 557 E N 0.021 120.186 120.200 -0.059 0.000 2.463 557 E HA 0.009 4.357 4.350 -0.003 0.000 0.193 557 E C -0.452 176.135 176.600 -0.022 0.000 1.041 557 E CA -0.094 56.281 56.400 -0.042 0.000 0.879 557 E CB 0.305 29.978 29.700 -0.044 0.000 0.997 557 E HN 0.074 nan 8.360 nan 0.000 0.478 558 N N 0.071 118.762 118.700 -0.015 0.000 2.932 558 N HA 0.095 4.833 4.740 -0.003 0.000 0.242 558 N C -2.560 172.950 175.510 -0.001 0.000 1.351 558 N CA -1.375 51.672 53.050 -0.006 0.000 0.785 558 N CB 1.063 39.548 38.487 -0.004 0.000 1.501 558 N HN -0.285 nan 8.380 nan 0.000 0.584 559 P HA -0.184 nan 4.420 nan 0.000 0.216 559 P C 1.114 178.417 177.300 0.004 0.000 1.157 559 P CA 1.345 64.447 63.100 0.003 0.000 0.880 559 P CB 0.415 32.116 31.700 0.002 0.000 0.791 560 Q N -0.438 119.363 119.800 0.003 0.000 2.173 560 Q HA -0.106 4.232 4.340 -0.003 0.000 0.208 560 Q C 0.928 176.931 176.000 0.004 0.000 0.989 560 Q CA 1.208 57.013 55.803 0.003 0.000 0.872 560 Q CB -1.633 27.107 28.738 0.003 0.000 0.909 560 Q HN 0.221 nan 8.270 nan 0.000 0.420 561 A N 1.551 124.373 122.820 0.004 0.000 2.545 561 A HA 0.069 4.387 4.320 -0.003 0.000 0.253 561 A C -0.576 177.010 177.584 0.005 0.000 1.074 561 A CA 0.076 52.115 52.037 0.005 0.000 0.760 561 A CB 0.033 19.035 19.000 0.005 0.000 1.005 561 A HN 0.070 nan 8.150 nan 0.000 0.506 562 D N 2.851 123.253 120.400 0.004 0.000 2.551 562 D HA 0.201 4.839 4.640 -0.003 0.000 0.294 562 D C 0.070 176.370 176.300 -0.001 0.000 1.201 562 D CA -0.224 53.777 54.000 0.003 0.000 0.941 562 D CB 0.366 41.168 40.800 0.004 0.000 0.995 562 D HN 0.348 nan 8.370 nan 0.000 0.502 563 R N 0.285 120.782 120.500 -0.004 0.000 2.615 563 R HA 0.299 4.637 4.340 -0.003 0.000 0.270 563 R C 0.287 176.571 176.300 -0.027 0.000 1.081 563 R CA -0.664 55.427 56.100 -0.015 0.000 1.154 563 R CB 1.210 31.501 30.300 -0.014 0.000 1.063 563 R HN 0.173 nan 8.270 nan 0.000 0.519 564 V N 2.157 122.041 119.914 -0.050 0.000 2.649 564 V HA 0.281 4.399 4.120 -0.003 0.000 0.292 564 V C -2.078 173.949 176.094 -0.110 0.000 1.055 564 V CA -1.853 60.402 62.300 -0.075 0.000 1.023 564 V CB 0.933 32.706 31.823 -0.083 0.000 0.992 564 V HN 0.550 nan 8.190 nan 0.000 0.480 565 P HA 0.223 nan 4.420 nan 0.000 0.266 565 P C -0.821 176.385 177.300 -0.158 0.000 1.193 565 P CA 0.356 63.404 63.100 -0.087 0.000 0.770 565 P CB 0.259 31.925 31.700 -0.056 0.000 0.836 566 R N 1.044 121.459 120.500 -0.142 0.000 2.771 566 R HA 0.632 4.970 4.340 -0.003 0.000 0.274 566 R C -1.510 174.661 176.300 -0.215 0.000 0.987 566 R CA -1.054 54.886 56.100 -0.267 0.000 0.908 566 R CB 2.110 32.163 30.300 -0.413 0.000 1.213 566 R HN 0.161 nan 8.270 nan 0.000 0.468 567 V N 3.146 122.882 119.914 -0.297 0.000 2.407 567 V HA 0.417 4.535 4.120 -0.003 0.000 0.291 567 V C -0.941 174.900 176.094 -0.422 0.000 1.018 567 V CA -0.631 61.502 62.300 -0.279 0.000 0.842 567 V CB 1.278 32.859 31.823 -0.403 0.000 0.996 567 V HN 0.520 nan 8.190 nan 0.000 0.426 568 F N 5.519 125.350 119.950 -0.199 0.000 2.405 568 F HA 0.618 5.143 4.527 -0.004 0.000 0.355 568 F C 0.013 175.645 175.800 -0.280 0.000 1.121 568 F CA -0.361 57.485 58.000 -0.256 0.000 1.112 568 F CB 1.301 40.176 39.000 -0.209 0.000 1.126 568 F HN 0.232 nan 8.300 nan 0.000 0.481 569 L N 4.471 125.550 121.223 -0.241 0.000 2.322 569 L HA 0.554 4.892 4.340 -0.003 0.000 0.281 569 L C -0.978 175.673 176.870 -0.365 0.000 1.014 569 L CA -0.431 54.289 54.840 -0.201 0.000 0.815 569 L CB 1.299 43.243 42.059 -0.191 0.000 1.247 569 L HN 0.414 nan 8.230 nan 0.000 0.421 570 F N 0.552 120.375 119.950 -0.211 0.000 2.532 570 F HA 0.779 5.304 4.527 -0.004 0.000 0.321 570 F C 0.586 176.225 175.800 -0.269 0.000 1.089 570 F CA -0.737 57.012 58.000 -0.418 0.000 0.926 570 F CB 2.367 40.765 39.000 -1.003 0.000 1.168 570 F HN 0.370 nan 8.300 nan 0.000 0.459 571 G N 1.120 109.844 108.800 -0.126 0.000 2.707 571 G HA2 0.750 4.708 3.960 -0.003 0.000 0.299 571 G HA3 0.750 4.708 3.960 -0.003 0.000 0.299 571 G C -1.886 172.927 174.900 -0.145 0.000 1.442 571 G CA -0.864 44.174 45.100 -0.103 0.000 1.009 571 G HN 0.977 nan 8.290 nan 0.000 0.515 572 A N 2.438 125.451 122.820 0.322 0.000 2.562 572 A HA 0.662 4.980 4.320 -0.003 0.000 0.305 572 A C -0.798 177.023 177.584 0.395 0.000 1.059 572 A CA -0.810 51.402 52.037 0.291 0.000 0.835 572 A CB 1.143 20.276 19.000 0.222 0.000 1.299 572 A HN 0.585 nan 8.150 nan 0.000 0.392 573 K N 1.007 121.570 120.400 0.270 0.000 2.123 573 K HA 0.751 5.069 4.320 -0.003 0.000 0.259 573 K C -0.055 176.696 176.600 0.251 0.000 0.960 573 K CA -0.371 56.066 56.287 0.250 0.000 0.872 573 K CB 2.317 34.828 32.500 0.019 0.000 1.079 573 K HN 0.937 nan 8.250 nan 0.000 0.440 574 A N 1.580 124.594 122.820 0.323 0.000 2.305 574 A HA 0.624 4.942 4.320 -0.003 0.000 0.322 574 A C -0.267 177.503 177.584 0.311 0.000 1.187 574 A CA -0.677 51.474 52.037 0.190 0.000 0.825 574 A CB 0.940 19.966 19.000 0.043 0.000 1.164 574 A HN 0.799 nan 8.150 nan 0.000 0.498 575 A N 3.911 126.892 122.820 0.269 0.000 2.531 575 A HA 0.464 4.782 4.320 -0.003 0.000 0.236 575 A C -1.054 176.615 177.584 0.141 0.000 1.062 575 A CA -0.628 51.570 52.037 0.269 0.000 0.760 575 A CB -0.211 18.904 19.000 0.192 0.000 0.995 575 A HN 0.642 nan 8.150 nan 0.000 0.501 576 P HA -0.106 nan 4.420 nan 0.000 0.218 576 P C 1.232 178.459 177.300 -0.122 0.000 1.149 576 P CA 1.922 64.966 63.100 -0.093 0.000 0.817 576 P CB 0.003 31.651 31.700 -0.086 0.000 0.785 577 G N -2.386 106.325 108.800 -0.149 0.000 2.985 577 G HA2 -0.135 3.823 3.960 -0.003 0.000 0.209 577 G HA3 -0.135 3.823 3.960 -0.003 0.000 0.209 577 G C 0.034 174.553 174.900 -0.635 0.000 1.165 577 G CA -0.048 44.812 45.100 -0.399 0.000 0.776 577 G HN 0.163 nan 8.290 nan 0.000 0.541 578 Y N 2.282 122.311 120.300 -0.450 0.000 2.724 578 Y HA 0.371 4.919 4.550 -0.004 0.000 0.332 578 Y C 0.673 176.422 175.900 -0.253 0.000 1.276 578 Y CA -2.471 55.427 58.100 -0.336 0.000 1.597 578 Y CB -0.556 37.782 38.460 -0.204 0.000 1.584 578 Y HN 0.234 nan 8.280 nan 0.000 0.478 579 Y N 1.419 121.848 120.300 0.214 0.000 2.207 579 Y HA -0.263 4.285 4.550 -0.003 0.000 0.287 579 Y C 2.129 178.067 175.900 0.063 0.000 1.156 579 Y CA 1.268 59.425 58.100 0.095 0.000 1.182 579 Y CB -0.811 37.692 38.460 0.071 0.000 0.979 579 Y HN 0.479 nan 8.280 nan 0.000 0.521 580 L N 0.467 121.840 121.223 0.249 0.000 2.046 580 L HA -0.092 4.246 4.340 -0.003 0.000 0.208 580 L C 2.321 179.094 176.870 -0.162 0.000 1.077 580 L CA 1.934 56.832 54.840 0.096 0.000 0.747 580 L CB -1.121 41.046 42.059 0.180 0.000 0.896 580 L HN 0.116 nan 8.230 nan 0.000 0.432 581 A N -0.403 122.098 122.820 -0.533 0.000 1.902 581 A HA -0.224 4.094 4.320 -0.003 0.000 0.217 581 A C 2.310 179.733 177.584 -0.269 0.000 1.181 581 A CA 1.943 53.569 52.037 -0.685 0.000 0.623 581 A CB -0.525 17.740 19.000 -1.226 0.000 0.818 581 A HN 0.539 nan 8.150 nan 0.000 0.443 582 K N -0.253 120.070 120.400 -0.128 0.000 2.097 582 K HA -0.144 4.174 4.320 -0.003 0.000 0.206 582 K C 1.980 178.612 176.600 0.053 0.000 1.049 582 K CA 1.289 57.573 56.287 -0.005 0.000 0.933 582 K CB -0.264 32.261 32.500 0.042 0.000 0.717 582 K HN 0.613 nan 8.250 nan 0.000 0.442 583 N N 1.142 119.886 118.700 0.072 0.000 2.244 583 N HA -0.114 4.624 4.740 -0.003 0.000 0.183 583 N C 1.741 177.337 175.510 0.142 0.000 1.016 583 N CA 0.722 53.883 53.050 0.185 0.000 0.866 583 N CB 0.109 38.708 38.487 0.187 0.000 0.980 583 N HN 0.144 nan 8.380 nan 0.000 0.430 584 I N 0.923 121.480 120.570 -0.022 0.000 2.252 584 I HA -0.226 3.942 4.170 -0.003 0.000 0.245 584 I C 2.165 178.223 176.117 -0.098 0.000 1.102 584 I CA 0.760 61.990 61.300 -0.118 0.000 1.385 584 I CB -0.121 37.735 38.000 -0.241 0.000 1.064 584 I HN 0.133 nan 8.210 nan 0.000 0.414 585 I N 0.057 120.615 120.570 -0.019 0.000 2.226 585 I HA -0.324 3.844 4.170 -0.003 0.000 0.245 585 I C 2.530 178.631 176.117 -0.027 0.000 1.100 585 I CA 1.328 62.647 61.300 0.032 0.000 1.374 585 I CB -0.379 37.638 38.000 0.028 0.000 1.057 585 I HN 0.174 nan 8.210 nan 0.000 0.413 586 F N 2.131 122.016 119.950 -0.108 0.000 2.065 586 F HA -0.305 4.220 4.527 -0.004 0.000 0.298 586 F C 2.510 178.281 175.800 -0.049 0.000 1.112 586 F CA 1.455 59.431 58.000 -0.039 0.000 1.212 586 F CB -0.888 38.172 39.000 0.101 0.000 0.975 586 F HN 0.041 nan 8.300 nan 0.000 0.476 587 A N 0.837 123.488 122.820 -0.282 0.000 1.873 587 A HA -0.215 4.103 4.320 -0.003 0.000 0.218 587 A C 2.417 179.622 177.584 -0.630 0.000 1.193 587 A CA 2.295 53.792 52.037 -0.900 0.000 0.629 587 A CB -1.372 17.066 19.000 -0.935 0.000 0.826 587 A HN 0.505 nan 8.150 nan 0.000 0.447 588 I N 0.014 120.318 120.570 -0.443 0.000 2.118 588 I HA -0.325 3.843 4.170 -0.003 0.000 0.241 588 I C 2.231 178.154 176.117 -0.323 0.000 1.070 588 I CA 1.565 62.604 61.300 -0.434 0.000 1.327 588 I CB -0.585 37.083 38.000 -0.553 0.000 1.034 588 I HN 0.336 nan 8.210 nan 0.000 0.405 589 N N 0.798 119.345 118.700 -0.254 0.000 2.166 589 N HA -0.153 4.585 4.740 -0.003 0.000 0.186 589 N C 1.793 177.190 175.510 -0.189 0.000 1.019 589 N CA 1.133 54.048 53.050 -0.225 0.000 0.856 589 N CB -0.224 38.073 38.487 -0.317 0.000 0.993 589 N HN 0.281 nan 8.380 nan 0.000 0.426 590 K N 0.766 121.023 120.400 -0.239 0.000 2.057 590 K HA 0.041 4.359 4.320 -0.003 0.000 0.206 590 K C 2.125 178.632 176.600 -0.154 0.000 1.050 590 K CA 0.361 56.556 56.287 -0.153 0.000 0.935 590 K CB -0.742 31.674 32.500 -0.140 0.000 0.715 590 K HN 0.034 nan 8.250 nan 0.000 0.439 591 V N 1.623 121.313 119.914 -0.375 0.000 2.358 591 V HA -0.204 3.914 4.120 -0.003 0.000 0.246 591 V C 2.440 178.353 176.094 -0.301 0.000 1.047 591 V CA 1.824 63.797 62.300 -0.544 0.000 1.035 591 V CB -0.759 30.601 31.823 -0.772 0.000 0.658 591 V HN 0.260 nan 8.190 nan 0.000 0.452 592 A N -0.140 122.538 122.820 -0.235 0.000 1.908 592 A HA -0.277 4.041 4.320 -0.003 0.000 0.218 592 A C 2.008 179.531 177.584 -0.101 0.000 1.181 592 A CA 2.095 54.041 52.037 -0.151 0.000 0.627 592 A CB -0.666 18.282 19.000 -0.086 0.000 0.818 592 A HN 0.525 nan 8.150 nan 0.000 0.445 593 D N -0.337 120.022 120.400 -0.068 0.000 2.123 593 D HA -0.117 4.521 4.640 -0.003 0.000 0.196 593 D C 2.087 178.384 176.300 -0.006 0.000 0.992 593 D CA 1.505 55.492 54.000 -0.022 0.000 0.833 593 D CB -0.380 40.422 40.800 0.003 0.000 0.954 593 D HN 0.229 nan 8.370 nan 0.000 0.455 594 V N 1.060 120.991 119.914 0.027 0.000 2.270 594 V HA -0.198 3.920 4.120 -0.003 0.000 0.245 594 V C 2.564 178.625 176.094 -0.054 0.000 1.043 594 V CA 1.105 63.449 62.300 0.073 0.000 1.014 594 V CB -0.356 31.642 31.823 0.293 0.000 0.645 594 V HN 0.174 nan 8.190 nan 0.000 0.447 595 I N 0.796 121.223 120.570 -0.239 0.000 2.264 595 I HA -0.240 3.928 4.170 -0.003 0.000 0.248 595 I C 2.134 178.127 176.117 -0.208 0.000 1.111 595 I CA 1.453 62.479 61.300 -0.456 0.000 1.382 595 I CB -0.523 37.139 38.000 -0.564 0.000 1.060 595 I HN 0.369 nan 8.210 nan 0.000 0.418 596 N N 0.844 119.472 118.700 -0.121 0.000 2.512 596 N HA -0.089 4.649 4.740 -0.003 0.000 0.183 596 N C 0.991 176.482 175.510 -0.032 0.000 1.073 596 N CA 0.836 53.849 53.050 -0.063 0.000 0.911 596 N CB -0.263 38.200 38.487 -0.039 0.000 0.964 596 N HN 0.452 nan 8.380 nan 0.000 0.447 597 N N 0.178 118.864 118.700 -0.023 0.000 2.171 597 N HA -0.032 4.706 4.740 -0.003 0.000 0.212 597 N C -0.591 174.930 175.510 0.018 0.000 1.184 597 N CA -0.071 52.980 53.050 0.002 0.000 0.888 597 N CB 0.796 39.289 38.487 0.010 0.000 1.038 597 N HN 0.097 nan 8.380 nan 0.000 0.517 598 D N 2.677 123.091 120.400 0.022 0.000 2.336 598 D HA 0.107 4.745 4.640 -0.003 0.000 0.249 598 D C -1.353 174.980 176.300 0.056 0.000 1.213 598 D CA -1.884 52.156 54.000 0.067 0.000 0.870 598 D CB 1.577 42.464 40.800 0.144 0.000 1.076 598 D HN 0.071 nan 8.370 nan 0.000 0.483 599 P HA -0.140 nan 4.420 nan 0.000 0.225 599 P C 1.493 178.818 177.300 0.042 0.000 1.148 599 P CA -0.047 63.074 63.100 0.036 0.000 0.779 599 P CB 0.539 32.256 31.700 0.028 0.000 0.780 600 L N -0.415 120.844 121.223 0.060 0.000 2.217 600 L HA -0.044 4.294 4.340 -0.003 0.000 0.211 600 L C 2.296 179.208 176.870 0.071 0.000 1.107 600 L CA 1.304 56.181 54.840 0.062 0.000 0.783 600 L CB -1.172 40.932 42.059 0.075 0.000 0.919 600 L HN -0.132 nan 8.230 nan 0.000 0.442 601 V N -1.216 118.748 119.914 0.085 0.000 2.492 601 V HA 0.269 4.387 4.120 -0.003 0.000 0.241 601 V C 1.918 178.035 176.094 0.039 0.000 1.041 601 V CA 0.828 63.174 62.300 0.077 0.000 1.057 601 V CB -0.671 31.197 31.823 0.076 0.000 0.711 601 V HN 0.548 nan 8.190 nan 0.000 0.468 602 G N 0.846 109.662 108.800 0.027 0.000 2.634 602 G HA2 -0.396 3.562 3.960 -0.003 0.000 0.309 602 G HA3 -0.396 3.562 3.960 -0.003 0.000 0.309 602 G C 0.442 175.347 174.900 0.009 0.000 1.265 602 G CA 0.684 45.794 45.100 0.016 0.000 0.998 602 G HN 0.392 nan 8.290 nan 0.000 0.551 603 D N 0.958 121.364 120.400 0.010 0.000 2.352 603 D HA 0.123 4.761 4.640 -0.003 0.000 0.232 603 D C 2.246 178.548 176.300 0.003 0.000 1.055 603 D CA 0.468 54.472 54.000 0.008 0.000 0.891 603 D CB 0.051 40.858 40.800 0.011 0.000 0.897 603 D HN 0.516 nan 8.370 nan 0.000 0.529 604 K N -0.480 119.924 120.400 0.007 0.000 2.217 604 K HA 0.110 4.428 4.320 -0.003 0.000 0.202 604 K C 0.587 177.189 176.600 0.005 0.000 1.051 604 K CA 0.536 56.827 56.287 0.006 0.000 0.952 604 K CB 1.088 33.601 32.500 0.021 0.000 0.736 604 K HN 0.079 nan 8.250 nan 0.000 0.453 605 L N 0.811 122.037 121.223 0.006 0.000 2.565 605 L HA 0.304 4.642 4.340 -0.003 0.000 0.261 605 L C -1.686 175.180 176.870 -0.007 0.000 0.932 605 L CA -0.683 54.167 54.840 0.017 0.000 0.878 605 L CB 1.866 43.936 42.059 0.018 0.000 1.333 605 L HN -0.133 nan 8.230 nan 0.000 0.409 606 K N 3.098 123.504 120.400 0.011 0.000 2.477 606 K HA 0.691 5.009 4.320 -0.003 0.000 0.255 606 K C -1.511 175.113 176.600 0.039 0.000 0.952 606 K CA -0.689 55.593 56.287 -0.009 0.000 0.826 606 K CB 3.045 35.525 32.500 -0.033 0.000 1.331 606 K HN 0.272 nan 8.250 nan 0.000 0.437 607 V N 1.881 121.808 119.914 0.022 0.000 2.482 607 V HA 0.340 4.458 4.120 -0.003 0.000 0.295 607 V C -0.741 175.401 176.094 0.080 0.000 1.026 607 V CA -0.921 61.429 62.300 0.083 0.000 0.856 607 V CB 1.921 33.767 31.823 0.037 0.000 1.001 607 V HN 0.427 nan 8.190 nan 0.000 0.424 608 V N 5.604 125.583 119.914 0.108 0.000 2.378 608 V HA 0.450 4.568 4.120 -0.003 0.000 0.288 608 V C -0.704 175.547 176.094 0.263 0.000 1.016 608 V CA -0.517 61.861 62.300 0.130 0.000 0.840 608 V CB 1.686 33.535 31.823 0.044 0.000 0.994 608 V HN 0.683 nan 8.190 nan 0.000 0.431 609 F N 6.262 126.295 119.950 0.139 0.000 2.313 609 F HA 0.582 5.107 4.527 -0.003 0.000 0.369 609 F C -0.175 175.803 175.800 0.296 0.000 1.109 609 F CA -1.560 56.564 58.000 0.206 0.000 1.132 609 F CB 0.854 39.856 39.000 0.004 0.000 1.291 609 F HN 0.311 nan 8.300 nan 0.000 0.496 610 L N 8.148 129.730 121.223 0.598 0.000 2.418 610 L HA 0.274 4.612 4.340 -0.003 0.000 0.274 610 L C -1.942 175.152 176.870 0.373 0.000 1.135 610 L CA -1.381 53.690 54.840 0.385 0.000 0.870 610 L CB 0.041 42.294 42.059 0.323 0.000 1.154 610 L HN 0.419 nan 8.230 nan 0.000 0.462 611 P HA -0.009 nan 4.420 nan 0.000 0.269 611 P C -0.251 177.025 177.300 -0.039 0.000 1.209 611 P CA 0.197 63.184 63.100 -0.187 0.000 0.776 611 P CB 0.418 31.918 31.700 -0.334 0.000 0.876 612 D N 0.819 121.167 120.400 -0.087 0.000 2.705 612 D HA -0.252 4.386 4.640 -0.003 0.000 0.240 612 D C -0.771 175.595 176.300 0.109 0.000 1.137 612 D CA 0.440 54.435 54.000 -0.008 0.000 0.677 612 D CB -1.756 39.020 40.800 -0.040 0.000 1.049 612 D HN 0.256 nan 8.370 nan 0.000 0.427 613 Y N 0.708 121.049 120.300 0.067 0.000 2.810 613 Y HA 0.222 4.770 4.550 -0.003 0.000 0.332 613 Y C 0.881 176.804 175.900 0.039 0.000 1.243 613 Y CA 0.234 58.394 58.100 0.099 0.000 1.537 613 Y CB 0.051 38.594 38.460 0.138 0.000 1.265 613 Y HN 0.442 nan 8.280 nan 0.000 0.572 614 C N 2.974 121.982 119.300 -0.487 0.000 3.314 614 C HA 0.452 4.910 4.460 -0.003 0.000 0.344 614 C C 1.036 175.779 174.990 -0.412 0.000 1.461 614 C CA -0.489 58.280 59.018 -0.414 0.000 1.249 614 C CB 0.602 28.234 27.740 -0.179 0.000 1.632 614 C HN 0.617 nan 8.230 nan 0.000 0.452 615 V N 1.519 121.307 119.914 -0.210 0.000 2.392 615 V HA -0.160 3.958 4.120 -0.003 0.000 0.249 615 V C 2.626 178.700 176.094 -0.034 0.000 1.059 615 V CA 2.990 65.263 62.300 -0.047 0.000 1.051 615 V CB -0.908 30.907 31.823 -0.013 0.000 0.658 615 V HN 0.956 nan 8.190 nan 0.000 0.455 616 S N -0.001 115.654 115.700 -0.075 0.000 2.383 616 S HA -0.122 4.346 4.470 -0.003 0.000 0.227 616 S C 2.201 176.750 174.600 -0.085 0.000 1.026 616 S CA 1.314 59.469 58.200 -0.075 0.000 0.981 616 S CB -0.399 62.770 63.200 -0.051 0.000 0.818 616 S HN 0.661 nan 8.310 nan 0.000 0.472 617 A N 1.671 124.477 122.820 -0.023 0.000 1.898 617 A HA 0.166 4.484 4.320 -0.003 0.000 0.216 617 A C 2.374 180.020 177.584 0.103 0.000 1.181 617 A CA 1.588 53.662 52.037 0.062 0.000 0.620 617 A CB -1.140 18.038 19.000 0.296 0.000 0.819 617 A HN 0.499 nan 8.150 nan 0.000 0.442 618 A N 0.032 122.937 122.820 0.142 0.000 1.908 618 A HA -0.230 4.088 4.320 -0.003 0.000 0.218 618 A C 1.859 179.621 177.584 0.296 0.000 1.181 618 A CA 1.767 53.986 52.037 0.304 0.000 0.627 618 A CB -0.652 18.532 19.000 0.307 0.000 0.818 618 A HN 0.647 nan 8.150 nan 0.000 0.445 619 E N -0.465 119.865 120.200 0.216 0.000 2.267 619 E HA -0.181 4.167 4.350 -0.003 0.000 0.197 619 E C 1.807 178.413 176.600 0.010 0.000 0.998 619 E CA 1.152 57.615 56.400 0.104 0.000 0.830 619 E CB -0.050 29.601 29.700 -0.081 0.000 0.751 619 E HN 0.565 nan 8.360 nan 0.000 0.491 620 K N -0.002 120.348 120.400 -0.083 0.000 2.202 620 K HA 0.051 4.369 4.320 -0.003 0.000 0.201 620 K C 2.182 178.781 176.600 -0.002 0.000 1.051 620 K CA 0.259 56.458 56.287 -0.146 0.000 0.977 620 K CB 0.134 32.323 32.500 -0.519 0.000 0.792 620 K HN 0.099 nan 8.250 nan 0.000 0.469 621 L N 1.077 122.342 121.223 0.070 0.000 2.044 621 L HA -0.103 4.235 4.340 -0.003 0.000 0.205 621 L C 2.388 179.331 176.870 0.122 0.000 1.075 621 L CA 1.038 55.954 54.840 0.125 0.000 0.747 621 L CB -0.402 41.752 42.059 0.159 0.000 0.903 621 L HN 0.051 nan 8.230 nan 0.000 0.435 622 I N -0.124 120.526 120.570 0.134 0.000 2.127 622 I HA -0.235 3.933 4.170 -0.003 0.000 0.241 622 I C -0.386 175.791 176.117 0.100 0.000 1.075 622 I CA 1.540 62.910 61.300 0.116 0.000 1.334 622 I CB -1.373 36.714 38.000 0.144 0.000 1.040 622 I HN 0.187 nan 8.210 nan 0.000 0.405 623 P HA -0.156 nan 4.420 nan 0.000 0.221 623 P C 0.810 178.138 177.300 0.046 0.000 1.145 623 P CA 1.455 64.585 63.100 0.051 0.000 0.795 623 P CB -0.009 31.709 31.700 0.029 0.000 0.775 624 A N -1.489 121.387 122.820 0.094 0.000 2.308 624 A HA 0.497 4.815 4.320 -0.003 0.000 0.217 624 A C 1.055 178.739 177.584 0.167 0.000 1.216 624 A CA 0.001 52.113 52.037 0.125 0.000 0.864 624 A CB -0.527 18.615 19.000 0.237 0.000 0.902 624 A HN 0.173 nan 8.150 nan 0.000 0.499 625 A N 0.096 123.001 122.820 0.142 0.000 2.409 625 A HA 0.442 4.760 4.320 -0.003 0.000 0.262 625 A C 0.424 178.112 177.584 0.173 0.000 1.113 625 A CA -0.157 51.972 52.037 0.153 0.000 0.790 625 A CB 0.266 19.328 19.000 0.103 0.000 1.046 625 A HN 0.295 nan 8.150 nan 0.000 0.496 626 D N 0.850 121.366 120.400 0.193 0.000 2.269 626 D HA 0.105 4.743 4.640 -0.003 0.000 0.220 626 D C 0.209 176.740 176.300 0.385 0.000 0.962 626 D CA 1.108 55.305 54.000 0.328 0.000 0.884 626 D CB 0.239 41.130 40.800 0.152 0.000 1.023 626 D HN 0.367 nan 8.370 nan 0.000 0.484 627 I N 0.882 121.567 120.570 0.191 0.000 2.433 627 I HA 0.139 4.307 4.170 -0.003 0.000 0.292 627 I C -0.145 176.012 176.117 0.067 0.000 1.001 627 I CA -0.528 60.858 61.300 0.144 0.000 1.119 627 I CB 1.788 39.811 38.000 0.038 0.000 1.289 627 I HN -0.228 nan 8.210 nan 0.000 0.438 628 S N 6.598 122.341 115.700 0.073 0.000 2.438 628 S HA 0.344 4.812 4.470 -0.003 0.000 0.316 628 S C -0.289 174.337 174.600 0.044 0.000 1.084 628 S CA -0.594 57.625 58.200 0.033 0.000 1.107 628 S CB 0.547 63.761 63.200 0.024 0.000 0.981 628 S HN 0.424 nan 8.310 nan 0.000 0.466 629 E N 4.083 124.294 120.200 0.018 0.000 2.105 629 E HA 0.197 4.545 4.350 -0.003 0.000 0.285 629 E C -0.436 176.183 176.600 0.031 0.000 1.055 629 E CA -0.251 56.180 56.400 0.052 0.000 0.843 629 E CB 0.924 30.633 29.700 0.016 0.000 1.067 629 E HN 0.633 nan 8.360 nan 0.000 0.398 630 Q N 2.911 122.755 119.800 0.073 0.000 3.122 630 Q HA 0.256 4.594 4.340 -0.003 0.000 0.282 630 Q C 0.670 176.701 176.000 0.051 0.000 0.947 630 Q CA -0.120 55.702 55.803 0.033 0.000 0.812 630 Q CB 0.262 29.005 28.738 0.009 0.000 1.333 630 Q HN 0.604 nan 8.270 nan 0.000 0.430 631 I N -1.753 118.838 120.570 0.034 0.000 3.816 631 I HA 0.262 4.430 4.170 -0.003 0.000 0.334 631 I C 0.529 176.636 176.117 -0.016 0.000 1.551 631 I CA -0.618 60.704 61.300 0.037 0.000 1.153 631 I CB 0.427 38.422 38.000 -0.008 0.000 1.197 631 I HN 0.017 nan 8.210 nan 0.000 0.439 632 S N 0.521 116.221 115.700 -0.000 0.000 2.579 632 S HA 0.181 4.649 4.470 -0.003 0.000 0.275 632 S C 0.550 175.171 174.600 0.036 0.000 1.345 632 S CA -0.215 58.021 58.200 0.060 0.000 1.031 632 S CB 0.427 63.727 63.200 0.167 0.000 0.892 632 S HN 0.371 nan 8.310 nan 0.000 0.529 633 T N 2.922 117.537 114.554 0.102 0.000 2.867 633 T HA 0.374 4.722 4.350 -0.003 0.000 0.297 633 T C 0.723 175.433 174.700 0.015 0.000 0.989 633 T CA 0.339 62.483 62.100 0.072 0.000 1.159 633 T CB -0.073 68.923 68.868 0.212 0.000 0.928 633 T HN 1.014 nan 8.240 nan 0.000 0.538 634 A N 2.878 125.673 122.820 -0.042 0.000 2.546 634 A HA 0.473 4.791 4.320 -0.003 0.000 0.243 634 A C 1.635 179.191 177.584 -0.045 0.000 1.063 634 A CA 0.267 52.271 52.037 -0.056 0.000 0.757 634 A CB -0.785 18.174 19.000 -0.069 0.000 0.991 634 A HN 1.626 nan 8.150 nan 0.000 0.503 635 G N 1.940 110.711 108.800 -0.049 0.000 2.176 635 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.232 635 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.232 635 G C 0.856 175.704 174.900 -0.085 0.000 0.986 635 G CA 0.579 45.646 45.100 -0.054 0.000 0.643 635 G HN 0.665 nan 8.290 nan 0.000 0.522 636 K N 0.061 120.389 120.400 -0.121 0.000 2.365 636 K HA 0.213 4.531 4.320 -0.003 0.000 0.195 636 K C 0.745 177.025 176.600 -0.533 0.000 1.079 636 K CA 0.381 56.477 56.287 -0.319 0.000 0.979 636 K CB 0.415 32.744 32.500 -0.285 0.000 0.929 636 K HN 0.412 nan 8.250 nan 0.000 0.523 637 E N 1.431 121.496 120.200 -0.225 0.000 2.052 637 E HA 0.281 4.629 4.350 -0.003 0.000 0.283 637 E C 0.682 177.195 176.600 -0.144 0.000 1.071 637 E CA -0.117 56.224 56.400 -0.098 0.000 0.851 637 E CB 1.037 30.787 29.700 0.083 0.000 1.066 637 E HN 0.162 nan 8.360 nan 0.000 0.396 638 A N 3.472 126.138 122.820 -0.256 0.000 1.892 638 A HA -0.211 4.107 4.320 -0.003 0.000 0.218 638 A C 1.978 179.429 177.584 -0.223 0.000 1.188 638 A CA 2.265 54.031 52.037 -0.452 0.000 0.631 638 A CB -0.290 18.172 19.000 -0.897 0.000 0.822 638 A HN 0.622 nan 8.150 nan 0.000 0.447 639 S N -3.987 111.639 115.700 -0.123 0.000 4.193 639 S HA 0.450 4.918 4.470 -0.003 0.000 0.211 639 S C 0.647 175.229 174.600 -0.030 0.000 1.162 639 S CA 1.405 59.581 58.200 -0.040 0.000 1.039 639 S CB -0.102 63.098 63.200 0.001 0.000 1.371 639 S HN 2.311 nan 8.310 nan 0.000 0.550 640 G N 0.324 109.109 108.800 -0.024 0.000 2.719 640 G HA2 -0.003 3.955 3.960 -0.003 0.000 0.686 640 G HA3 -0.003 3.955 3.960 -0.003 0.000 0.686 640 G C 0.205 175.069 174.900 -0.061 0.000 1.201 640 G CA 0.428 45.505 45.100 -0.037 0.000 0.768 640 G HN 1.320 nan 8.290 nan 0.000 0.629 641 T N -1.575 112.926 114.554 -0.088 0.000 2.992 641 T HA 0.372 4.720 4.350 -0.003 0.000 0.255 641 T C 2.394 176.975 174.700 -0.198 0.000 0.938 641 T CA 1.231 63.255 62.100 -0.126 0.000 0.895 641 T CB 0.303 69.100 68.868 -0.119 0.000 1.221 641 T HN 1.872 nan 8.240 nan 0.000 0.512 642 G N 3.398 112.088 108.800 -0.182 0.000 2.442 642 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.219 642 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.219 642 G C 1.553 176.351 174.900 -0.171 0.000 1.141 642 G CA 1.382 46.363 45.100 -0.199 0.000 0.763 642 G HN 0.683 nan 8.290 nan 0.000 0.554 643 N N 0.887 119.496 118.700 -0.151 0.000 2.149 643 N HA -0.132 4.606 4.740 -0.003 0.000 0.188 643 N C 2.018 177.409 175.510 -0.199 0.000 1.019 643 N CA 1.744 54.703 53.050 -0.152 0.000 0.857 643 N CB -0.676 37.718 38.487 -0.154 0.000 0.997 643 N HN 0.406 nan 8.380 nan 0.000 0.426 644 M N 0.345 119.797 119.600 -0.246 0.000 2.099 644 M HA -0.001 4.477 4.480 -0.003 0.000 0.262 644 M C 2.055 178.276 176.300 -0.132 0.000 1.067 644 M CA 1.508 56.656 55.300 -0.254 0.000 1.124 644 M CB -0.181 32.295 32.600 -0.207 0.000 1.353 644 M HN 0.071 nan 8.290 nan 0.000 0.410 645 K N 0.500 120.797 120.400 -0.171 0.000 2.063 645 K HA -0.126 4.192 4.320 -0.003 0.000 0.208 645 K C 1.852 178.421 176.600 -0.050 0.000 1.048 645 K CA 1.255 57.457 56.287 -0.141 0.000 0.928 645 K CB -0.384 31.897 32.500 -0.366 0.000 0.713 645 K HN 0.275 nan 8.250 nan 0.000 0.442 646 L N 0.390 121.570 121.223 -0.072 0.000 2.056 646 L HA -0.153 4.185 4.340 -0.003 0.000 0.207 646 L C 2.575 179.445 176.870 0.001 0.000 1.078 646 L CA 1.136 55.963 54.840 -0.021 0.000 0.749 646 L CB -0.489 41.554 42.059 -0.027 0.000 0.901 646 L HN 0.205 nan 8.230 nan 0.000 0.433 647 A N -0.101 122.701 122.820 -0.030 0.000 1.898 647 A HA -0.144 4.174 4.320 -0.003 0.000 0.216 647 A C 2.256 179.859 177.584 0.032 0.000 1.181 647 A CA 1.307 53.336 52.037 -0.014 0.000 0.620 647 A CB -0.707 18.254 19.000 -0.065 0.000 0.819 647 A HN 0.331 nan 8.150 nan 0.000 0.442 648 L N -0.078 121.169 121.223 0.041 0.000 2.083 648 L HA -0.166 4.172 4.340 -0.003 0.000 0.209 648 L C 1.634 178.549 176.870 0.075 0.000 1.083 648 L CA 1.052 55.937 54.840 0.075 0.000 0.752 648 L CB -0.365 41.754 42.059 0.099 0.000 0.899 648 L HN 0.420 nan 8.230 nan 0.000 0.433 649 N N -0.127 118.611 118.700 0.065 0.000 2.383 649 N HA 0.026 4.764 4.740 -0.003 0.000 0.192 649 N C 1.051 176.589 175.510 0.048 0.000 1.141 649 N CA 0.947 54.023 53.050 0.043 0.000 0.851 649 N CB 0.796 39.313 38.487 0.051 0.000 0.976 649 N HN 0.433 nan 8.380 nan 0.000 0.465 650 G N 0.107 108.978 108.800 0.119 0.000 2.131 650 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.201 650 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.201 650 G C 0.008 175.013 174.900 0.174 0.000 1.000 650 G CA 0.017 45.241 45.100 0.207 0.000 0.680 650 G HN 0.511 nan 8.290 nan 0.000 0.514 651 A N -0.017 122.874 122.820 0.118 0.000 2.303 651 A HA 0.852 5.170 4.320 -0.003 0.000 0.317 651 A C 0.419 178.040 177.584 0.062 0.000 1.149 651 A CA -0.476 51.643 52.037 0.136 0.000 0.822 651 A CB 0.791 19.859 19.000 0.113 0.000 1.131 651 A HN 0.732 nan 8.150 nan 0.000 0.493 652 L N 1.253 122.507 121.223 0.052 0.000 2.334 652 L HA 0.392 4.730 4.340 -0.003 0.000 0.277 652 L C 0.243 177.184 176.870 0.118 0.000 1.075 652 L CA -0.363 54.466 54.840 -0.018 0.000 0.804 652 L CB 1.589 43.524 42.059 -0.206 0.000 1.174 652 L HN 0.677 nan 8.230 nan 0.000 0.438 653 T N 2.002 116.628 114.554 0.119 0.000 2.799 653 T HA 0.375 4.723 4.350 -0.003 0.000 0.286 653 T C -0.183 174.680 174.700 0.271 0.000 0.973 653 T CA -0.357 61.828 62.100 0.141 0.000 1.035 653 T CB 1.636 70.541 68.868 0.061 0.000 0.932 653 T HN 0.194 nan 8.240 nan 0.000 0.469 654 V N 3.434 123.496 119.914 0.247 0.000 2.311 654 V HA 0.781 4.899 4.120 -0.003 0.000 0.275 654 V C 0.583 176.916 176.094 0.398 0.000 1.022 654 V CA -0.301 62.191 62.300 0.321 0.000 0.830 654 V CB 0.938 32.862 31.823 0.168 0.000 1.012 654 V HN 1.075 nan 8.190 nan 0.000 0.452 655 G N 2.732 111.808 108.800 0.459 0.000 2.677 655 G HA2 0.657 4.615 3.960 -0.003 0.000 0.291 655 G HA3 0.657 4.615 3.960 -0.003 0.000 0.291 655 G C -0.499 174.330 174.900 -0.119 0.000 1.435 655 G CA -0.239 45.009 45.100 0.246 0.000 0.826 655 G HN 0.624 nan 8.290 nan 0.000 0.491 656 T N -1.247 113.103 114.554 -0.340 0.000 2.874 656 T HA 0.520 4.868 4.350 -0.003 0.000 0.281 656 T C 0.569 175.133 174.700 -0.227 0.000 0.994 656 T CA -0.678 61.126 62.100 -0.493 0.000 1.015 656 T CB 1.372 69.983 68.868 -0.428 0.000 1.028 656 T HN 0.361 nan 8.240 nan 0.000 0.523 657 L N 2.086 123.193 121.223 -0.194 0.000 2.384 657 L HA 0.324 4.662 4.340 -0.003 0.000 0.258 657 L C -0.247 176.574 176.870 -0.082 0.000 1.266 657 L CA 0.117 54.894 54.840 -0.105 0.000 1.162 657 L CB -0.741 41.267 42.059 -0.084 0.000 1.375 657 L HN 0.758 nan 8.230 nan 0.000 0.420 658 D N 0.758 121.115 120.400 -0.071 0.000 2.661 658 D HA 0.577 5.215 4.640 -0.003 0.000 0.228 658 D C 0.447 176.727 176.300 -0.033 0.000 1.210 658 D CA 0.754 54.724 54.000 -0.051 0.000 0.826 658 D CB 2.070 42.836 40.800 -0.058 0.000 1.542 658 D HN 0.385 nan 8.370 nan 0.000 0.447 659 G N 1.574 110.363 108.800 -0.017 0.000 2.634 659 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.309 659 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.309 659 G C 0.950 175.851 174.900 0.003 0.000 1.265 659 G CA 1.097 46.191 45.100 -0.010 0.000 0.998 659 G HN 1.195 nan 8.290 nan 0.000 0.551 660 A N -0.233 122.578 122.820 -0.014 0.000 2.251 660 A HA 0.227 4.545 4.320 -0.003 0.000 0.209 660 A C 2.020 179.565 177.584 -0.066 0.000 1.187 660 A CA 1.514 53.547 52.037 -0.008 0.000 0.823 660 A CB -0.325 18.654 19.000 -0.037 0.000 0.846 660 A HN 0.570 nan 8.150 nan 0.000 0.486 661 N N 0.410 119.069 118.700 -0.069 0.000 2.205 661 N HA -0.162 4.576 4.740 -0.003 0.000 0.186 661 N C 1.838 177.326 175.510 -0.036 0.000 1.015 661 N CA 1.593 54.600 53.050 -0.072 0.000 0.862 661 N CB -0.571 37.881 38.487 -0.058 0.000 0.986 661 N HN 0.464 nan 8.380 nan 0.000 0.429 662 V N 0.489 120.395 119.914 -0.012 0.000 2.427 662 V HA -0.151 3.967 4.120 -0.003 0.000 0.248 662 V C 1.716 177.840 176.094 0.050 0.000 1.051 662 V CA 1.690 63.995 62.300 0.008 0.000 1.048 662 V CB -0.335 31.491 31.823 0.004 0.000 0.666 662 V HN 0.169 nan 8.190 nan 0.000 0.456 663 E N 0.130 120.392 120.200 0.103 0.000 2.150 663 E HA -0.080 4.268 4.350 -0.003 0.000 0.193 663 E C 2.119 178.907 176.600 0.313 0.000 0.985 663 E CA 1.718 58.252 56.400 0.224 0.000 0.814 663 E CB -0.223 29.681 29.700 0.341 0.000 0.752 663 E HN 0.702 nan 8.360 nan 0.000 0.466 664 I N 0.871 121.526 120.570 0.141 0.000 2.252 664 I HA -0.250 3.918 4.170 -0.003 0.000 0.245 664 I C 2.470 178.620 176.117 0.056 0.000 1.102 664 I CA 0.879 62.202 61.300 0.038 0.000 1.385 664 I CB -0.246 37.613 38.000 -0.235 0.000 1.064 664 I HN 0.101 nan 8.210 nan 0.000 0.414 665 A N 0.256 123.087 122.820 0.017 0.000 1.902 665 A HA -0.269 4.049 4.320 -0.003 0.000 0.217 665 A C 2.323 179.914 177.584 0.012 0.000 1.181 665 A CA 1.926 53.962 52.037 -0.002 0.000 0.623 665 A CB -0.644 18.347 19.000 -0.015 0.000 0.818 665 A HN 0.510 nan 8.150 nan 0.000 0.443 666 E N -0.374 119.848 120.200 0.036 0.000 2.077 666 E HA -0.218 4.130 4.350 -0.003 0.000 0.193 666 E C 1.760 178.381 176.600 0.034 0.000 0.989 666 E CA 1.225 57.643 56.400 0.030 0.000 0.800 666 E CB -0.032 29.691 29.700 0.038 0.000 0.746 666 E HN 0.363 nan 8.360 nan 0.000 0.452 667 K N 0.272 120.717 120.400 0.076 0.000 2.062 667 K HA -0.075 4.243 4.320 -0.003 0.000 0.205 667 K C 2.277 178.902 176.600 0.042 0.000 1.051 667 K CA 1.295 57.624 56.287 0.071 0.000 0.941 667 K CB -0.190 32.398 32.500 0.147 0.000 0.719 667 K HN 0.290 nan 8.250 nan 0.000 0.440 668 V N -2.280 117.655 119.914 0.035 0.000 3.052 668 V HA 0.258 4.376 4.120 -0.003 0.000 0.254 668 V C 0.750 176.820 176.094 -0.041 0.000 1.100 668 V CA 0.637 62.933 62.300 -0.006 0.000 1.112 668 V CB -0.750 31.059 31.823 -0.023 0.000 0.738 668 V HN 0.335 nan 8.190 nan 0.000 0.469 669 G N 1.563 110.340 108.800 -0.038 0.000 2.788 669 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.686 669 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.686 669 G C 0.112 174.963 174.900 -0.081 0.000 1.147 669 G CA 0.074 45.142 45.100 -0.054 0.000 0.755 669 G HN 0.819 nan 8.290 nan 0.000 0.634 670 E N 0.378 120.533 120.200 -0.074 0.000 2.209 670 E HA -0.191 4.157 4.350 -0.003 0.000 0.196 670 E C 1.727 178.242 176.600 -0.141 0.000 0.993 670 E CA 1.569 57.914 56.400 -0.092 0.000 0.819 670 E CB -0.066 29.595 29.700 -0.064 0.000 0.745 670 E HN 0.687 nan 8.360 nan 0.000 0.477 671 E N 0.936 121.055 120.200 -0.136 0.000 2.481 671 E HA -0.056 4.292 4.350 -0.003 0.000 0.195 671 E C 0.547 176.999 176.600 -0.247 0.000 1.047 671 E CA 0.299 56.597 56.400 -0.169 0.000 0.867 671 E CB -0.152 29.477 29.700 -0.118 0.000 0.858 671 E HN 0.310 nan 8.360 nan 0.000 0.513 672 N N 0.609 119.164 118.700 -0.242 0.000 2.275 672 N HA 0.288 5.026 4.740 -0.003 0.000 0.236 672 N C -0.308 175.001 175.510 -0.335 0.000 1.154 672 N CA -0.014 52.867 53.050 -0.281 0.000 0.866 672 N CB 1.551 39.924 38.487 -0.190 0.000 1.093 672 N HN 0.227 nan 8.380 nan 0.000 0.515 673 I N -0.646 119.679 120.570 -0.408 0.000 2.918 673 I HA 0.354 4.522 4.170 -0.003 0.000 0.301 673 I C -1.448 174.400 176.117 -0.447 0.000 1.312 673 I CA -0.831 60.265 61.300 -0.340 0.000 1.007 673 I CB 1.813 39.729 38.000 -0.140 0.000 1.281 673 I HN -0.260 nan 8.210 nan 0.000 0.440 674 F N 7.355 127.311 119.950 0.010 0.000 2.318 674 F HA 0.411 4.936 4.527 -0.004 0.000 0.356 674 F C 0.066 175.950 175.800 0.139 0.000 1.109 674 F CA -0.534 57.502 58.000 0.060 0.000 1.234 674 F CB 0.281 39.314 39.000 0.054 0.000 1.545 674 F HN 0.050 nan 8.300 nan 0.000 0.534 675 I N 3.933 124.618 120.570 0.191 0.000 2.441 675 I HA 0.239 4.407 4.170 -0.003 0.000 0.287 675 I C -0.048 176.213 176.117 0.240 0.000 1.049 675 I CA -0.474 60.923 61.300 0.162 0.000 1.381 675 I CB 0.326 38.346 38.000 0.032 0.000 1.409 675 I HN 0.335 nan 8.210 nan 0.000 0.523 676 F N 3.204 123.186 119.950 0.053 0.000 2.664 676 F HA 0.905 5.431 4.527 -0.001 0.000 0.317 676 F C 0.078 175.876 175.800 -0.003 0.000 1.108 676 F CA -0.614 57.406 58.000 0.033 0.000 0.957 676 F CB 1.259 40.302 39.000 0.071 0.000 1.365 676 F HN 0.775 nan 8.300 nan 0.000 0.475 677 G N 0.424 109.205 108.800 -0.032 0.000 2.685 677 G HA2 -0.017 3.941 3.960 -0.003 0.000 0.387 677 G HA3 -0.017 3.941 3.960 -0.003 0.000 0.387 677 G C -1.415 173.330 174.900 -0.259 0.000 1.324 677 G CA -0.743 44.252 45.100 -0.175 0.000 0.878 677 G HN 1.166 nan 8.290 nan 0.000 0.527 678 H N 0.834 119.849 119.070 -0.092 0.000 2.732 678 H HA 0.402 4.956 4.556 -0.004 0.000 0.351 678 H C 1.420 176.684 175.328 -0.107 0.000 1.090 678 H CA 0.924 56.923 56.048 -0.082 0.000 1.431 678 H CB 0.698 30.396 29.762 -0.107 0.000 1.447 678 H HN 0.899 nan 8.280 nan 0.000 0.582 679 T N -1.496 113.072 114.554 0.022 0.000 2.754 679 T HA 0.101 4.449 4.350 -0.003 0.000 0.286 679 T C 1.785 176.477 174.700 -0.013 0.000 0.997 679 T CA -0.808 61.282 62.100 -0.017 0.000 0.982 679 T CB 0.537 69.398 68.868 -0.012 0.000 1.027 679 T HN 0.266 nan 8.240 nan 0.000 0.529 680 V N 1.302 121.198 119.914 -0.031 0.000 2.392 680 V HA -0.133 3.985 4.120 -0.003 0.000 0.249 680 V C 2.735 178.807 176.094 -0.038 0.000 1.059 680 V CA 2.099 64.375 62.300 -0.040 0.000 1.051 680 V CB -1.181 30.617 31.823 -0.041 0.000 0.658 680 V HN 0.852 nan 8.190 nan 0.000 0.455 681 E N 0.102 120.287 120.200 -0.025 0.000 2.077 681 E HA -0.216 4.132 4.350 -0.003 0.000 0.193 681 E C 2.290 178.882 176.600 -0.014 0.000 0.989 681 E CA 1.234 57.622 56.400 -0.021 0.000 0.800 681 E CB -0.308 29.385 29.700 -0.012 0.000 0.746 681 E HN 0.672 nan 8.360 nan 0.000 0.452 682 Q N -0.046 119.760 119.800 0.010 0.000 2.172 682 Q HA -0.068 4.270 4.340 -0.003 0.000 0.200 682 Q C 2.210 178.173 176.000 -0.062 0.000 0.964 682 Q CA 1.082 56.905 55.803 0.033 0.000 0.855 682 Q CB 0.056 28.888 28.738 0.158 0.000 0.918 682 Q HN 0.148 nan 8.270 nan 0.000 0.444 683 V N 1.325 121.187 119.914 -0.087 0.000 2.307 683 V HA -0.272 3.846 4.120 -0.003 0.000 0.245 683 V C 2.033 178.029 176.094 -0.163 0.000 1.045 683 V CA 1.824 64.011 62.300 -0.188 0.000 1.024 683 V CB -0.430 31.305 31.823 -0.148 0.000 0.651 683 V HN 0.277 nan 8.190 nan 0.000 0.449 684 K N 0.222 120.561 120.400 -0.103 0.000 2.063 684 K HA -0.184 4.134 4.320 -0.003 0.000 0.208 684 K C 2.282 178.840 176.600 -0.071 0.000 1.048 684 K CA 1.613 57.850 56.287 -0.085 0.000 0.928 684 K CB -0.445 32.017 32.500 -0.063 0.000 0.713 684 K HN 0.491 nan 8.250 nan 0.000 0.442 685 A N 1.164 123.950 122.820 -0.056 0.000 1.898 685 A HA -0.133 4.185 4.320 -0.003 0.000 0.216 685 A C 2.114 179.680 177.584 -0.031 0.000 1.181 685 A CA 1.220 53.239 52.037 -0.029 0.000 0.620 685 A CB -0.506 18.490 19.000 -0.005 0.000 0.819 685 A HN 0.183 nan 8.150 nan 0.000 0.442 686 I N -0.346 120.177 120.570 -0.078 0.000 2.226 686 I HA -0.257 3.911 4.170 -0.003 0.000 0.245 686 I C 2.344 178.434 176.117 -0.045 0.000 1.100 686 I CA 1.138 62.392 61.300 -0.076 0.000 1.374 686 I CB -0.211 37.625 38.000 -0.273 0.000 1.057 686 I HN 0.303 nan 8.210 nan 0.000 0.413 687 L N 0.136 121.295 121.223 -0.106 0.000 2.093 687 L HA -0.169 4.169 4.340 -0.003 0.000 0.208 687 L C 2.729 179.596 176.870 -0.004 0.000 1.085 687 L CA 1.186 55.996 54.840 -0.049 0.000 0.755 687 L CB -0.624 41.377 42.059 -0.097 0.000 0.904 687 L HN 0.230 nan 8.230 nan 0.000 0.435 688 A N -0.262 122.548 122.820 -0.016 0.000 1.968 688 A HA -0.192 4.126 4.320 -0.003 0.000 0.217 688 A C 2.367 179.960 177.584 0.016 0.000 1.169 688 A CA 1.325 53.360 52.037 -0.005 0.000 0.638 688 A CB -0.314 18.678 19.000 -0.014 0.000 0.812 688 A HN 0.277 nan 8.150 nan 0.000 0.446 689 K N -0.434 119.984 120.400 0.031 0.000 2.366 689 K HA 0.130 4.448 4.320 -0.003 0.000 0.198 689 K C 0.326 176.966 176.600 0.067 0.000 1.044 689 K CA 0.828 57.144 56.287 0.047 0.000 0.973 689 K CB -0.304 32.232 32.500 0.060 0.000 0.767 689 K HN 0.821 nan 8.250 nan 0.000 0.475 690 G N 1.519 110.369 108.800 0.084 0.000 3.035 690 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.674 690 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.674 690 G C -1.280 173.725 174.900 0.175 0.000 1.159 690 G CA -0.413 44.747 45.100 0.100 0.000 1.098 690 G HN 0.274 nan 8.290 nan 0.000 0.473 691 Y N 2.598 122.917 120.300 0.032 0.000 2.336 691 Y HA 0.591 5.139 4.550 -0.003 0.000 0.335 691 Y C -0.127 175.822 175.900 0.081 0.000 1.046 691 Y CA -1.225 56.910 58.100 0.058 0.000 1.198 691 Y CB 1.823 40.271 38.460 -0.020 0.000 1.182 691 Y HN 0.425 nan 8.280 nan 0.000 0.502 692 D N 9.147 129.450 120.400 -0.162 0.000 2.438 692 D HA 0.294 4.932 4.640 -0.003 0.000 0.257 692 D C -2.020 174.084 176.300 -0.327 0.000 1.148 692 D CA -2.499 51.366 54.000 -0.226 0.000 0.902 692 D CB 1.455 42.244 40.800 -0.018 0.000 1.062 692 D HN 0.343 nan 8.370 nan 0.000 0.518 693 P HA -0.156 nan 4.420 nan 0.000 0.218 693 P C 1.480 178.755 177.300 -0.041 0.000 1.148 693 P CA 0.540 63.371 63.100 -0.447 0.000 0.822 693 P CB 0.551 32.029 31.700 -0.369 0.000 0.784 694 V N 0.665 120.551 119.914 -0.046 0.000 2.515 694 V HA -0.179 3.939 4.120 -0.003 0.000 0.250 694 V C 2.804 178.929 176.094 0.051 0.000 1.058 694 V CA 1.697 64.005 62.300 0.013 0.000 1.064 694 V CB -1.220 30.602 31.823 -0.001 0.000 0.675 694 V HN 0.136 nan 8.190 nan 0.000 0.461 695 K N -0.960 119.476 120.400 0.061 0.000 2.057 695 K HA -0.210 4.108 4.320 -0.003 0.000 0.207 695 K C 1.965 178.596 176.600 0.051 0.000 1.049 695 K CA 1.911 58.216 56.287 0.030 0.000 0.931 695 K CB -0.214 32.281 32.500 -0.008 0.000 0.714 695 K HN 0.512 nan 8.250 nan 0.000 0.440 696 W N 1.134 122.437 121.300 0.005 0.000 2.388 696 W HA -0.040 4.616 4.660 -0.006 0.000 0.294 696 W C 2.407 178.949 176.519 0.038 0.000 1.212 696 W CA 1.183 58.566 57.345 0.063 0.000 1.271 696 W CB -0.245 29.293 29.460 0.130 0.000 1.126 696 W HN 0.130 nan 8.180 nan 0.000 0.535 697 R N 0.957 121.596 120.500 0.231 0.000 2.070 697 R HA -0.180 4.158 4.340 -0.003 0.000 0.232 697 R C 2.072 178.410 176.300 0.063 0.000 1.138 697 R CA 1.559 57.721 56.100 0.102 0.000 0.936 697 R CB -0.373 29.956 30.300 0.047 0.000 0.839 697 R HN -0.106 nan 8.270 nan 0.000 0.429 698 K N 0.687 121.116 120.400 0.048 0.000 2.152 698 K HA -0.101 4.217 4.320 -0.003 0.000 0.206 698 K C 1.849 178.462 176.600 0.022 0.000 1.048 698 K CA 1.066 57.368 56.287 0.024 0.000 0.933 698 K CB -0.061 32.447 32.500 0.012 0.000 0.721 698 K HN 0.160 nan 8.250 nan 0.000 0.447 699 K N 0.956 121.370 120.400 0.023 0.000 2.432 699 K HA -0.022 4.296 4.320 -0.003 0.000 0.196 699 K C 0.255 176.885 176.600 0.049 0.000 1.038 699 K CA 0.284 56.577 56.287 0.010 0.000 0.986 699 K CB 0.052 32.523 32.500 -0.047 0.000 0.782 699 K HN 0.131 nan 8.250 nan 0.000 0.485 700 D N 0.945 121.396 120.400 0.085 0.000 2.414 700 D HA 0.084 4.722 4.640 -0.003 0.000 0.232 700 D C 0.562 176.912 176.300 0.083 0.000 1.070 700 D CA -0.166 53.907 54.000 0.121 0.000 0.839 700 D CB 1.064 41.991 40.800 0.212 0.000 1.079 700 D HN -0.282 nan 8.370 nan 0.000 0.521 701 K N 2.268 122.714 120.400 0.077 0.000 2.097 701 K HA -0.050 4.268 4.320 -0.003 0.000 0.206 701 K C 1.778 178.411 176.600 0.054 0.000 1.049 701 K CA 0.729 57.048 56.287 0.053 0.000 0.933 701 K CB -0.173 32.354 32.500 0.046 0.000 0.717 701 K HN 0.306 nan 8.250 nan 0.000 0.442 702 V N 1.623 121.598 119.914 0.102 0.000 2.323 702 V HA -0.194 3.924 4.120 -0.003 0.000 0.244 702 V C 2.358 178.474 176.094 0.038 0.000 1.041 702 V CA 1.073 63.443 62.300 0.117 0.000 1.025 702 V CB -0.464 31.495 31.823 0.226 0.000 0.656 702 V HN 0.126 nan 8.190 nan 0.000 0.451 703 L N 1.093 122.287 121.223 -0.048 0.000 1.990 703 L HA -0.237 4.101 4.340 -0.003 0.000 0.213 703 L C 2.134 178.885 176.870 -0.199 0.000 1.072 703 L CA 2.735 57.328 54.840 -0.412 0.000 0.755 703 L CB -1.034 40.741 42.059 -0.474 0.000 0.889 703 L HN 0.487 nan 8.230 nan 0.000 0.432 704 D N -0.866 119.486 120.400 -0.080 0.000 2.117 704 D HA -0.149 4.489 4.640 -0.003 0.000 0.197 704 D C 2.075 178.357 176.300 -0.030 0.000 0.987 704 D CA 1.412 55.387 54.000 -0.042 0.000 0.829 704 D CB -0.056 40.738 40.800 -0.009 0.000 0.961 704 D HN 0.455 nan 8.370 nan 0.000 0.460 705 A N -0.112 122.698 122.820 -0.017 0.000 1.902 705 A HA -0.105 4.213 4.320 -0.003 0.000 0.217 705 A C 2.555 180.138 177.584 -0.003 0.000 1.181 705 A CA 1.513 53.546 52.037 -0.006 0.000 0.623 705 A CB -0.909 18.092 19.000 0.002 0.000 0.818 705 A HN 0.227 nan 8.150 nan 0.000 0.443 706 V N 0.054 119.958 119.914 -0.015 0.000 2.295 706 V HA -0.233 3.885 4.120 -0.003 0.000 0.246 706 V C 2.569 178.661 176.094 -0.004 0.000 1.049 706 V CA 1.967 64.265 62.300 -0.002 0.000 1.024 706 V CB -0.554 31.258 31.823 -0.018 0.000 0.648 706 V HN 0.596 nan 8.190 nan 0.000 0.447 707 L N -0.663 120.535 121.223 -0.042 0.000 2.083 707 L HA -0.230 4.108 4.340 -0.003 0.000 0.209 707 L C 2.540 179.422 176.870 0.020 0.000 1.083 707 L CA 1.706 56.534 54.840 -0.019 0.000 0.752 707 L CB -0.591 41.446 42.059 -0.037 0.000 0.899 707 L HN 0.294 nan 8.230 nan 0.000 0.433 708 K N -0.048 120.359 120.400 0.013 0.000 2.097 708 K HA -0.178 4.140 4.320 -0.003 0.000 0.206 708 K C 1.982 178.604 176.600 0.037 0.000 1.049 708 K CA 1.270 57.569 56.287 0.019 0.000 0.933 708 K CB -0.053 32.449 32.500 0.005 0.000 0.717 708 K HN 0.360 nan 8.250 nan 0.000 0.442 709 E N 0.741 120.976 120.200 0.058 0.000 2.077 709 E HA -0.177 4.171 4.350 -0.003 0.000 0.193 709 E C 1.907 178.617 176.600 0.183 0.000 0.989 709 E CA 0.958 57.417 56.400 0.098 0.000 0.800 709 E CB -0.065 29.748 29.700 0.189 0.000 0.746 709 E HN 0.245 nan 8.360 nan 0.000 0.452 710 L N 0.650 121.989 121.223 0.194 0.000 2.291 710 L HA -0.133 4.205 4.340 -0.003 0.000 0.214 710 L C 1.882 178.902 176.870 0.251 0.000 1.120 710 L CA 0.919 55.916 54.840 0.262 0.000 0.799 710 L CB -0.099 42.032 42.059 0.120 0.000 0.925 710 L HN 0.087 nan 8.230 nan 0.000 0.446 711 E N -0.861 119.413 120.200 0.123 0.000 2.400 711 E HA -0.077 4.271 4.350 -0.003 0.000 0.195 711 E C 2.119 178.724 176.600 0.010 0.000 1.012 711 E CA 0.822 57.260 56.400 0.063 0.000 0.875 711 E CB 0.219 29.942 29.700 0.038 0.000 0.859 711 E HN 0.413 nan 8.360 nan 0.000 0.498 712 S N -0.716 114.994 115.700 0.016 0.000 2.496 712 S HA 0.112 4.580 4.470 -0.003 0.000 0.224 712 S C 1.719 176.280 174.600 -0.064 0.000 0.996 712 S CA 0.593 58.773 58.200 -0.034 0.000 0.927 712 S CB 0.378 63.554 63.200 -0.039 0.000 0.774 712 S HN 0.322 nan 8.310 nan 0.000 0.524 713 G N 1.707 110.479 108.800 -0.046 0.000 2.176 713 G HA2 -0.319 3.639 3.960 -0.003 0.000 0.232 713 G HA3 -0.319 3.639 3.960 -0.003 0.000 0.232 713 G C 0.744 175.596 174.900 -0.080 0.000 0.986 713 G CA 0.518 45.569 45.100 -0.081 0.000 0.643 713 G HN 0.585 nan 8.290 nan 0.000 0.522 714 K N -0.405 119.920 120.400 -0.124 0.000 2.074 714 K HA -0.084 4.235 4.320 -0.003 0.000 0.209 714 K C 1.618 178.006 176.600 -0.354 0.000 1.048 714 K CA 1.862 57.968 56.287 -0.303 0.000 0.926 714 K CB -0.197 31.996 32.500 -0.512 0.000 0.713 714 K HN 0.503 nan 8.250 nan 0.000 0.444 715 Y N -0.079 120.273 120.300 0.087 0.000 2.468 715 Y HA 0.130 4.678 4.550 -0.003 0.000 0.268 715 Y C 0.828 176.778 175.900 0.084 0.000 1.177 715 Y CA 0.042 58.196 58.100 0.090 0.000 1.265 715 Y CB 0.794 39.305 38.460 0.085 0.000 1.103 715 Y HN 0.114 nan 8.280 nan 0.000 0.522 716 S N -2.097 113.658 115.700 0.092 0.000 2.941 716 S HA 0.199 4.667 4.470 -0.003 0.000 0.251 716 S C -0.113 174.464 174.600 -0.038 0.000 1.029 716 S CA -0.232 57.950 58.200 -0.031 0.000 1.062 716 S CB -0.074 62.945 63.200 -0.301 0.000 0.977 716 S HN 0.250 nan 8.310 nan 0.000 0.552 717 D N 1.069 121.456 120.400 -0.022 0.000 2.870 717 D HA -0.147 4.491 4.640 -0.003 0.000 0.228 717 D C 1.131 177.403 176.300 -0.047 0.000 1.147 717 D CA 1.874 55.858 54.000 -0.027 0.000 0.757 717 D CB -1.520 39.276 40.800 -0.006 0.000 1.091 717 D HN 1.323 nan 8.370 nan 0.000 0.429 718 G N -0.100 108.659 108.800 -0.069 0.000 2.175 718 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.244 718 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.244 718 G C -0.062 174.775 174.900 -0.105 0.000 0.982 718 G CA 0.323 45.375 45.100 -0.080 0.000 0.641 718 G HN 0.664 nan 8.290 nan 0.000 0.527 719 D N 0.827 121.157 120.400 -0.117 0.000 2.393 719 D HA 0.407 5.045 4.640 -0.003 0.000 0.232 719 D C 1.470 177.634 176.300 -0.226 0.000 1.192 719 D CA -0.308 53.602 54.000 -0.149 0.000 0.882 719 D CB 0.417 41.150 40.800 -0.112 0.000 1.038 719 D HN 0.350 nan 8.370 nan 0.000 0.499 720 K N 2.146 122.367 120.400 -0.300 0.000 2.439 720 K HA -0.067 4.251 4.320 -0.003 0.000 0.197 720 K C 0.683 177.059 176.600 -0.372 0.000 1.041 720 K CA 0.582 56.661 56.287 -0.347 0.000 0.970 720 K CB 0.260 32.515 32.500 -0.409 0.000 0.773 720 K HN 0.533 nan 8.250 nan 0.000 0.479 721 H N -0.597 118.404 119.070 -0.115 0.000 2.551 721 H HA 0.243 4.797 4.556 -0.003 0.000 0.271 721 H C 1.706 176.932 175.328 -0.170 0.000 0.984 721 H CA 0.245 56.227 56.048 -0.111 0.000 1.164 721 H CB 0.287 30.011 29.762 -0.063 0.000 1.437 721 H HN 0.159 nan 8.280 nan 0.000 0.550 722 A N 0.949 123.613 122.820 -0.260 0.000 1.927 722 A HA -0.192 4.126 4.320 -0.003 0.000 0.220 722 A C 0.913 178.248 177.584 -0.416 0.000 1.185 722 A CA 1.447 53.201 52.037 -0.471 0.000 0.639 722 A CB -0.661 17.710 19.000 -1.047 0.000 0.820 722 A HN 0.198 nan 8.150 nan 0.000 0.451 723 F N -0.385 119.609 119.950 0.073 0.000 2.850 723 F HA 0.262 4.787 4.527 -0.003 0.000 0.306 723 F C 0.891 176.687 175.800 -0.008 0.000 1.162 723 F CA -1.212 56.812 58.000 0.040 0.000 1.327 723 F CB -0.147 38.840 39.000 -0.022 0.000 0.953 723 F HN 0.048 nan 8.300 nan 0.000 0.507 724 D N 0.592 121.029 120.400 0.062 0.000 2.149 724 D HA -0.174 4.464 4.640 -0.003 0.000 0.198 724 D C 1.969 178.207 176.300 -0.103 0.000 0.990 724 D CA 1.482 55.401 54.000 -0.134 0.000 0.839 724 D CB 0.102 40.835 40.800 -0.112 0.000 0.948 724 D HN 0.414 nan 8.370 nan 0.000 0.460 725 Q N -0.326 119.521 119.800 0.078 0.000 2.046 725 Q HA -0.098 4.240 4.340 -0.003 0.000 0.200 725 Q C 2.262 178.346 176.000 0.140 0.000 0.975 725 Q CA 0.906 56.794 55.803 0.141 0.000 0.836 725 Q CB -0.137 28.694 28.738 0.155 0.000 0.896 725 Q HN 0.312 nan 8.270 nan 0.000 0.428 726 M N 0.367 120.044 119.600 0.129 0.000 2.086 726 M HA -0.195 4.283 4.480 -0.003 0.000 0.261 726 M C 1.569 177.956 176.300 0.144 0.000 1.067 726 M CA 1.314 56.685 55.300 0.117 0.000 1.116 726 M CB 0.054 32.703 32.600 0.082 0.000 1.348 726 M HN 0.204 nan 8.290 nan 0.000 0.407 727 L N 0.077 121.358 121.223 0.097 0.000 2.046 727 L HA -0.227 4.111 4.340 -0.003 0.000 0.208 727 L C 2.580 179.515 176.870 0.108 0.000 1.077 727 L CA 1.829 56.708 54.840 0.065 0.000 0.747 727 L CB -1.952 40.107 42.059 -0.001 0.000 0.896 727 L HN 0.393 nan 8.230 nan 0.000 0.432 728 H N -0.939 118.198 119.070 0.111 0.000 2.389 728 H HA -0.043 4.511 4.556 -0.003 0.000 0.299 728 H C 2.439 177.825 175.328 0.097 0.000 1.081 728 H CA 1.408 57.510 56.048 0.090 0.000 1.345 728 H CB -0.291 29.519 29.762 0.081 0.000 1.393 728 H HN 0.424 nan 8.280 nan 0.000 0.520 729 S N 0.866 116.718 115.700 0.253 0.000 2.402 729 S HA -0.088 4.380 4.470 -0.003 0.000 0.229 729 S C 1.930 176.654 174.600 0.207 0.000 1.021 729 S CA 1.162 59.496 58.200 0.223 0.000 0.974 729 S CB -0.672 62.673 63.200 0.242 0.000 0.800 729 S HN 0.576 nan 8.310 nan 0.000 0.484 730 I N -1.137 119.549 120.570 0.194 0.000 3.875 730 I HA 0.503 4.671 4.170 -0.003 0.000 0.329 730 I C 0.917 177.087 176.117 0.087 0.000 1.295 730 I CA -0.424 60.962 61.300 0.143 0.000 1.129 730 I CB -0.450 37.622 38.000 0.120 0.000 1.008 730 I HN 0.269 nan 8.210 nan 0.000 0.413 731 G N 1.188 110.051 108.800 0.105 0.000 2.702 731 G HA2 0.211 4.169 3.960 -0.003 0.000 0.254 731 G HA3 0.211 4.169 3.960 -0.003 0.000 0.254 731 G C 0.384 175.312 174.900 0.046 0.000 1.380 731 G CA -0.342 44.805 45.100 0.079 0.000 1.042 731 G HN -0.006 nan 8.290 nan 0.000 0.557 732 K N -0.566 119.856 120.400 0.038 0.000 2.147 732 K HA -0.084 4.234 4.320 -0.003 0.000 0.205 732 K C 2.550 179.152 176.600 0.003 0.000 1.049 732 K CA 1.717 58.007 56.287 0.006 0.000 0.936 732 K CB -0.250 32.255 32.500 0.009 0.000 0.722 732 K HN 0.406 nan 8.250 nan 0.000 0.446 733 Q N -1.259 118.549 119.800 0.012 0.000 2.016 733 Q HA 0.079 4.417 4.340 -0.003 0.000 0.200 733 Q C 2.187 178.189 176.000 0.003 0.000 0.978 733 Q CA 1.823 57.603 55.803 -0.037 0.000 0.833 733 Q CB -0.799 27.838 28.738 -0.167 0.000 0.895 733 Q HN 0.412 nan 8.270 nan 0.000 0.427 734 G N -1.313 107.521 108.800 0.056 0.000 2.539 734 G HA2 0.267 4.225 3.960 -0.003 0.000 0.215 734 G HA3 0.267 4.225 3.960 -0.003 0.000 0.215 734 G C 0.984 175.918 174.900 0.056 0.000 1.141 734 G CA 0.394 45.539 45.100 0.076 0.000 0.806 734 G HN 0.592 nan 8.290 nan 0.000 0.533 735 G N 0.105 108.928 108.800 0.039 0.000 2.176 735 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.253 735 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.253 735 G C 0.333 175.268 174.900 0.059 0.000 0.979 735 G CA 0.838 45.947 45.100 0.014 0.000 0.641 735 G HN 1.118 nan 8.290 nan 0.000 0.530 736 D N -0.672 119.788 120.400 0.101 0.000 2.737 736 D HA -0.140 4.499 4.640 -0.003 0.000 0.238 736 D C -0.187 176.216 176.300 0.171 0.000 1.157 736 D CA 1.209 55.313 54.000 0.173 0.000 0.694 736 D CB -0.403 40.507 40.800 0.183 0.000 1.021 736 D HN 0.401 nan 8.370 nan 0.000 0.420 737 P HA -0.144 nan 4.420 nan 0.000 0.225 737 P C 0.816 177.868 177.300 -0.414 0.000 1.148 737 P CA 1.081 64.047 63.100 -0.224 0.000 0.779 737 P CB -0.127 31.337 31.700 -0.393 0.000 0.780 738 Y N -0.673 119.685 120.300 0.097 0.000 2.524 738 Y HA 0.284 4.832 4.550 -0.002 0.000 0.266 738 Y C 1.286 177.172 175.900 -0.023 0.000 1.180 738 Y CA -0.586 57.551 58.100 0.062 0.000 1.244 738 Y CB -0.482 38.076 38.460 0.163 0.000 1.125 738 Y HN -0.278 nan 8.280 nan 0.000 0.524 739 L N -0.645 120.580 121.223 0.003 0.000 3.739 739 L HA -0.341 3.997 4.340 -0.003 0.000 0.442 739 L C 1.000 177.846 176.870 -0.040 0.000 1.241 739 L CA -0.184 54.572 54.840 -0.141 0.000 0.819 739 L CB -2.156 39.663 42.059 -0.401 0.000 1.679 739 L HN 0.144 nan 8.230 nan 0.000 0.889 740 V N -0.581 119.347 119.914 0.023 0.000 2.295 740 V HA -0.302 3.816 4.120 -0.003 0.000 0.246 740 V C 2.448 178.572 176.094 0.050 0.000 1.049 740 V CA 2.409 64.695 62.300 -0.022 0.000 1.024 740 V CB -0.237 31.492 31.823 -0.158 0.000 0.648 740 V HN 0.518 nan 8.190 nan 0.000 0.447 741 M N -0.009 119.623 119.600 0.054 0.000 2.117 741 M HA -0.105 4.373 4.480 -0.003 0.000 0.262 741 M C 2.428 178.753 176.300 0.042 0.000 1.065 741 M CA 2.237 57.587 55.300 0.084 0.000 1.114 741 M CB -1.547 31.111 32.600 0.097 0.000 1.361 741 M HN 0.399 nan 8.290 nan 0.000 0.408 742 A N -0.142 122.515 122.820 -0.272 0.000 2.019 742 A HA -0.154 4.164 4.320 -0.003 0.000 0.219 742 A C 1.724 179.259 177.584 -0.083 0.000 1.164 742 A CA 1.750 53.325 52.037 -0.770 0.000 0.644 742 A CB -0.503 17.764 19.000 -1.221 0.000 0.805 742 A HN 0.413 nan 8.150 nan 0.000 0.449 743 D N -2.160 118.295 120.400 0.092 0.000 2.349 743 D HA 0.108 4.746 4.640 -0.003 0.000 0.214 743 D C 1.202 177.690 176.300 0.313 0.000 1.063 743 D CA -0.076 54.069 54.000 0.242 0.000 0.847 743 D CB -0.118 40.818 40.800 0.228 0.000 0.933 743 D HN 0.429 nan 8.370 nan 0.000 0.513 744 F N 2.309 122.356 119.950 0.161 0.000 2.069 744 F HA -0.210 4.315 4.527 -0.004 0.000 0.298 744 F C 2.176 178.085 175.800 0.181 0.000 1.113 744 F CA 1.841 59.948 58.000 0.178 0.000 1.214 744 F CB -0.195 38.895 39.000 0.150 0.000 0.978 744 F HN -0.033 nan 8.300 nan 0.000 0.474 745 A N 0.512 123.500 122.820 0.280 0.000 1.883 745 A HA -0.142 4.176 4.320 -0.003 0.000 0.217 745 A C 2.397 179.977 177.584 -0.006 0.000 1.186 745 A CA 2.158 54.260 52.037 0.108 0.000 0.624 745 A CB -1.672 17.489 19.000 0.270 0.000 0.822 745 A HN 0.574 nan 8.150 nan 0.000 0.444 746 A N -1.846 121.035 122.820 0.102 0.000 1.930 746 A HA -0.063 4.255 4.320 -0.003 0.000 0.217 746 A C 2.138 179.707 177.584 -0.024 0.000 1.175 746 A CA 1.651 53.753 52.037 0.107 0.000 0.627 746 A CB -0.726 18.408 19.000 0.223 0.000 0.815 746 A HN 0.710 nan 8.150 nan 0.000 0.443 747 Y N 0.692 120.785 120.300 -0.345 0.000 2.163 747 Y HA -0.148 4.400 4.550 -0.003 0.000 0.288 747 Y C 2.355 177.797 175.900 -0.764 0.000 1.136 747 Y CA 1.573 59.104 58.100 -0.948 0.000 1.147 747 Y CB -0.568 37.413 38.460 -0.798 0.000 0.987 747 Y HN 0.058 nan 8.280 nan 0.000 0.509 748 V N 0.643 120.120 119.914 -0.728 0.000 2.332 748 V HA -0.289 3.829 4.120 -0.003 0.000 0.248 748 V C 2.386 178.203 176.094 -0.461 0.000 1.055 748 V CA 2.290 64.161 62.300 -0.714 0.000 1.038 748 V CB -0.714 30.771 31.823 -0.564 0.000 0.651 748 V HN 0.377 nan 8.190 nan 0.000 0.450 749 E N 0.866 120.885 120.200 -0.302 0.000 2.072 749 E HA -0.153 4.196 4.350 -0.003 0.000 0.191 749 E C 2.101 178.594 176.600 -0.178 0.000 0.985 749 E CA 1.682 57.982 56.400 -0.166 0.000 0.801 749 E CB -0.516 29.143 29.700 -0.069 0.000 0.750 749 E HN 0.494 nan 8.360 nan 0.000 0.452 750 A N 0.556 123.232 122.820 -0.240 0.000 1.933 750 A HA -0.191 4.127 4.320 -0.003 0.000 0.218 750 A C 2.143 179.521 177.584 -0.343 0.000 1.175 750 A CA 1.557 53.490 52.037 -0.173 0.000 0.628 750 A CB -0.522 18.390 19.000 -0.146 0.000 0.814 750 A HN 0.270 nan 8.150 nan 0.000 0.444 751 Q N -0.208 119.264 119.800 -0.548 0.000 2.224 751 Q HA -0.108 4.230 4.340 -0.003 0.000 0.203 751 Q C 1.811 177.635 176.000 -0.293 0.000 0.970 751 Q CA 1.311 56.792 55.803 -0.535 0.000 0.865 751 Q CB -0.203 28.046 28.738 -0.816 0.000 0.922 751 Q HN 0.713 nan 8.270 nan 0.000 0.445 752 K N 0.511 120.784 120.400 -0.211 0.000 2.148 752 K HA -0.128 4.190 4.320 -0.003 0.000 0.204 752 K C 2.064 178.627 176.600 -0.061 0.000 1.050 752 K CA 0.919 57.146 56.287 -0.100 0.000 0.942 752 K CB 0.079 32.541 32.500 -0.064 0.000 0.724 752 K HN 0.257 nan 8.250 nan 0.000 0.446 753 Q N 0.238 120.005 119.800 -0.056 0.000 2.230 753 Q HA -0.080 4.258 4.340 -0.003 0.000 0.202 753 Q C 2.038 178.070 176.000 0.054 0.000 0.963 753 Q CA 0.814 56.665 55.803 0.081 0.000 0.866 753 Q CB 0.047 28.933 28.738 0.247 0.000 0.931 753 Q HN 0.071 nan 8.270 nan 0.000 0.452 754 V N 1.666 121.405 119.914 -0.291 0.000 2.332 754 V HA -0.287 3.832 4.120 -0.003 0.000 0.248 754 V C 1.305 177.426 176.094 0.044 0.000 1.055 754 V CA 2.206 64.314 62.300 -0.320 0.000 1.038 754 V CB -0.520 31.014 31.823 -0.481 0.000 0.651 754 V HN 0.332 nan 8.190 nan 0.000 0.450 755 D N -0.113 120.274 120.400 -0.021 0.000 2.123 755 D HA -0.152 4.486 4.640 -0.003 0.000 0.196 755 D C 2.084 178.445 176.300 0.101 0.000 0.992 755 D CA 1.322 55.332 54.000 0.017 0.000 0.833 755 D CB -0.399 40.393 40.800 -0.012 0.000 0.954 755 D HN 0.298 nan 8.370 nan 0.000 0.455 756 V N 0.447 120.429 119.914 0.114 0.000 2.343 756 V HA -0.184 3.934 4.120 -0.003 0.000 0.247 756 V C 2.287 178.495 176.094 0.191 0.000 1.051 756 V CA 1.058 63.435 62.300 0.128 0.000 1.036 756 V CB -0.388 31.504 31.823 0.116 0.000 0.654 756 V HN 0.163 nan 8.190 nan 0.000 0.451 757 L N -0.904 120.506 121.223 0.312 0.000 2.056 757 L HA -0.146 4.192 4.340 -0.003 0.000 0.207 757 L C 2.270 179.407 176.870 0.445 0.000 1.078 757 L CA 1.919 57.010 54.840 0.419 0.000 0.749 757 L CB -0.825 41.605 42.059 0.619 0.000 0.901 757 L HN 0.418 nan 8.230 nan 0.000 0.433 758 Y N 0.180 120.632 120.300 0.253 0.000 2.256 758 Y HA -0.237 4.311 4.550 -0.004 0.000 0.288 758 Y C 2.565 178.390 175.900 -0.126 0.000 1.155 758 Y CA 1.594 59.580 58.100 -0.191 0.000 1.203 758 Y CB -0.048 38.069 38.460 -0.571 0.000 0.980 758 Y HN 0.135 nan 8.280 nan 0.000 0.530 759 R N -0.360 120.172 120.500 0.053 0.000 2.189 759 R HA -0.100 4.238 4.340 -0.003 0.000 0.223 759 R C 0.087 176.368 176.300 -0.032 0.000 1.092 759 R CA 0.985 57.084 56.100 -0.001 0.000 0.989 759 R CB -0.153 30.171 30.300 0.039 0.000 0.876 759 R HN 0.168 nan 8.270 nan 0.000 0.457 760 D N 0.544 120.951 120.400 0.012 0.000 2.499 760 D HA 0.028 4.666 4.640 -0.003 0.000 0.225 760 D C 0.716 177.023 176.300 0.013 0.000 1.124 760 D CA -0.105 53.907 54.000 0.019 0.000 0.938 760 D CB 0.936 41.773 40.800 0.061 0.000 1.014 760 D HN -0.115 nan 8.370 nan 0.000 0.517 761 Q N 1.845 121.603 119.800 -0.069 0.000 2.181 761 Q HA -0.185 4.153 4.340 -0.003 0.000 0.205 761 Q C 1.458 177.478 176.000 0.032 0.000 0.980 761 Q CA 0.994 56.746 55.803 -0.085 0.000 0.862 761 Q CB 0.133 28.772 28.738 -0.166 0.000 0.905 761 Q HN 0.723 nan 8.270 nan 0.000 0.429 762 E N -0.062 120.153 120.200 0.026 0.000 2.072 762 E HA -0.147 4.201 4.350 -0.003 0.000 0.191 762 E C 1.796 178.428 176.600 0.053 0.000 0.985 762 E CA 1.036 57.459 56.400 0.037 0.000 0.801 762 E CB 0.028 29.740 29.700 0.021 0.000 0.750 762 E HN 0.267 nan 8.360 nan 0.000 0.452 763 A N 1.629 124.488 122.820 0.065 0.000 1.930 763 A HA -0.159 4.159 4.320 -0.003 0.000 0.217 763 A C 2.030 179.668 177.584 0.090 0.000 1.175 763 A CA 1.059 53.132 52.037 0.059 0.000 0.627 763 A CB -1.175 17.864 19.000 0.065 0.000 0.815 763 A HN 0.719 nan 8.150 nan 0.000 0.443 764 W N 1.226 122.507 121.300 -0.032 0.000 2.354 764 W HA -0.160 4.498 4.660 -0.003 0.000 0.315 764 W C 1.821 178.335 176.519 -0.008 0.000 1.206 764 W CA 2.363 59.703 57.345 -0.010 0.000 1.290 764 W CB -0.824 28.583 29.460 -0.088 0.000 1.152 764 W HN 0.355 nan 8.180 nan 0.000 0.489 765 T N 1.070 115.775 114.554 0.250 0.000 2.746 765 T HA -0.188 4.160 4.350 -0.003 0.000 0.267 765 T C 1.905 176.571 174.700 -0.058 0.000 1.039 765 T CA 1.704 63.888 62.100 0.141 0.000 1.142 765 T CB -0.349 68.610 68.868 0.153 0.000 0.866 765 T HN 0.146 nan 8.240 nan 0.000 0.444 766 R N 0.779 121.253 120.500 -0.043 0.000 2.096 766 R HA -0.092 4.246 4.340 -0.003 0.000 0.240 766 R C 2.764 178.977 176.300 -0.145 0.000 1.139 766 R CA 1.519 57.566 56.100 -0.088 0.000 0.952 766 R CB -0.487 29.780 30.300 -0.056 0.000 0.854 766 R HN 0.383 nan 8.270 nan 0.000 0.436 767 A N 0.722 123.435 122.820 -0.177 0.000 1.930 767 A HA -0.072 4.246 4.320 -0.003 0.000 0.217 767 A C 2.298 179.734 177.584 -0.247 0.000 1.175 767 A CA 1.570 53.467 52.037 -0.235 0.000 0.627 767 A CB -0.490 18.316 19.000 -0.323 0.000 0.815 767 A HN 0.427 nan 8.150 nan 0.000 0.443 768 A N 0.020 122.679 122.820 -0.268 0.000 1.898 768 A HA -0.038 4.280 4.320 -0.003 0.000 0.216 768 A C 2.076 179.579 177.584 -0.135 0.000 1.181 768 A CA 1.427 53.379 52.037 -0.142 0.000 0.620 768 A CB -0.579 18.455 19.000 0.058 0.000 0.819 768 A HN 0.478 nan 8.150 nan 0.000 0.442 769 I N -0.222 120.137 120.570 -0.353 0.000 2.286 769 I HA -0.250 3.918 4.170 -0.003 0.000 0.248 769 I C 2.194 178.216 176.117 -0.160 0.000 1.115 769 I CA 1.015 62.070 61.300 -0.408 0.000 1.392 769 I CB -0.269 37.480 38.000 -0.418 0.000 1.065 769 I HN 0.278 nan 8.210 nan 0.000 0.418 770 L N 0.110 121.251 121.223 -0.137 0.000 2.201 770 L HA -0.159 4.179 4.340 -0.003 0.000 0.212 770 L C 2.259 179.097 176.870 -0.053 0.000 1.105 770 L CA 1.014 55.800 54.840 -0.090 0.000 0.775 770 L CB -0.720 41.282 42.059 -0.096 0.000 0.913 770 L HN 0.343 nan 8.230 nan 0.000 0.440 771 N N -0.411 118.257 118.700 -0.054 0.000 2.084 771 N HA -0.152 4.586 4.740 -0.003 0.000 0.190 771 N C 1.733 177.263 175.510 0.034 0.000 1.030 771 N CA 1.990 55.032 53.050 -0.014 0.000 0.849 771 N CB -0.090 38.381 38.487 -0.027 0.000 1.012 771 N HN 0.298 nan 8.380 nan 0.000 0.423 772 T N 1.284 115.870 114.554 0.054 0.000 2.708 772 T HA -0.078 4.270 4.350 -0.003 0.000 0.266 772 T C 2.041 176.769 174.700 0.047 0.000 1.037 772 T CA 1.303 63.451 62.100 0.079 0.000 1.146 772 T CB -0.286 68.671 68.868 0.147 0.000 0.865 772 T HN 0.322 nan 8.240 nan 0.000 0.435 773 A N 1.403 124.233 122.820 0.017 0.000 1.972 773 A HA -0.055 4.263 4.320 -0.003 0.000 0.219 773 A C 2.249 179.844 177.584 0.019 0.000 1.169 773 A CA 1.239 53.278 52.037 0.004 0.000 0.635 773 A CB -0.333 18.654 19.000 -0.023 0.000 0.810 773 A HN 0.407 nan 8.150 nan 0.000 0.446 774 R N -1.957 118.562 120.500 0.030 0.000 2.334 774 R HA 0.153 4.491 4.340 -0.003 0.000 0.216 774 R C 0.437 176.794 176.300 0.095 0.000 0.905 774 R CA 0.142 56.267 56.100 0.041 0.000 1.064 774 R CB -0.081 30.235 30.300 0.026 0.000 1.046 774 R HN 0.462 nan 8.270 nan 0.000 0.508 775 C N 0.343 119.729 119.300 0.143 0.000 2.614 775 C HA 0.203 4.661 4.460 -0.003 0.000 0.299 775 C C 2.131 177.245 174.990 0.207 0.000 1.293 775 C CA -0.492 58.705 59.018 0.299 0.000 1.713 775 C CB -0.600 27.340 27.740 0.333 0.000 1.890 775 C HN 0.652 nan 8.230 nan 0.000 0.602 776 G N 1.895 110.740 108.800 0.075 0.000 2.462 776 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.220 776 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.220 776 G C 1.574 176.449 174.900 -0.042 0.000 1.121 776 G CA 1.182 46.308 45.100 0.044 0.000 0.758 776 G HN 0.709 nan 8.290 nan 0.000 0.559 777 M N -1.602 117.866 119.600 -0.221 0.000 2.549 777 M HA 0.298 4.776 4.480 -0.003 0.000 0.260 777 M C 1.111 177.129 176.300 -0.471 0.000 1.076 777 M CA 1.083 56.147 55.300 -0.393 0.000 1.090 777 M CB -0.261 31.997 32.600 -0.571 0.000 1.418 777 M HN 0.003 nan 8.290 nan 0.000 0.486 778 F N 1.073 121.055 119.950 0.055 0.000 2.731 778 F HA 0.304 4.828 4.527 -0.004 0.000 0.304 778 F C 1.328 177.184 175.800 0.094 0.000 1.133 778 F CA -0.440 57.599 58.000 0.066 0.000 1.380 778 F CB -0.564 38.465 39.000 0.048 0.000 1.079 778 F HN 0.151 nan 8.300 nan 0.000 0.550 779 S N 0.211 116.010 115.700 0.165 0.000 2.549 779 S HA 0.045 4.513 4.470 -0.003 0.000 0.283 779 S C 1.556 176.261 174.600 0.176 0.000 1.320 779 S CA 0.044 58.345 58.200 0.168 0.000 1.058 779 S CB 0.654 63.922 63.200 0.113 0.000 0.882 779 S HN 0.380 nan 8.310 nan 0.000 0.498 780 S N 3.395 119.235 115.700 0.233 0.000 2.465 780 S HA -0.124 4.344 4.470 -0.003 0.000 0.241 780 S C 0.999 175.675 174.600 0.127 0.000 1.000 780 S CA 1.084 59.456 58.200 0.287 0.000 0.964 780 S CB -0.420 63.050 63.200 0.451 0.000 0.763 780 S HN 0.809 nan 8.310 nan 0.000 0.512 781 D N 1.673 122.124 120.400 0.086 0.000 2.144 781 D HA -0.073 4.565 4.640 -0.003 0.000 0.200 781 D C 2.084 178.386 176.300 0.004 0.000 0.978 781 D CA 0.757 54.775 54.000 0.031 0.000 0.833 781 D CB -0.344 40.470 40.800 0.024 0.000 0.961 781 D HN 0.296 nan 8.370 nan 0.000 0.470 782 R N 1.040 121.547 120.500 0.012 0.000 2.075 782 R HA -0.029 4.309 4.340 -0.003 0.000 0.232 782 R C 1.972 178.251 176.300 -0.036 0.000 1.126 782 R CA 0.863 56.951 56.100 -0.020 0.000 0.963 782 R CB -0.334 29.944 30.300 -0.035 0.000 0.858 782 R HN 0.027 nan 8.270 nan 0.000 0.435 783 S N 1.216 116.917 115.700 0.003 0.000 2.370 783 S HA -0.108 4.360 4.470 -0.003 0.000 0.226 783 S C 1.961 176.488 174.600 -0.121 0.000 1.033 783 S CA 1.129 59.323 58.200 -0.011 0.000 1.011 783 S CB -0.155 63.136 63.200 0.151 0.000 0.852 783 S HN 0.212 nan 8.310 nan 0.000 0.457 784 I N 1.661 122.121 120.570 -0.183 0.000 2.252 784 I HA -0.070 4.098 4.170 -0.003 0.000 0.245 784 I C 2.315 178.381 176.117 -0.085 0.000 1.102 784 I CA 1.228 62.429 61.300 -0.165 0.000 1.385 784 I CB -1.181 36.772 38.000 -0.079 0.000 1.064 784 I HN 0.163 nan 8.210 nan 0.000 0.414 785 R N 0.970 121.433 120.500 -0.061 0.000 2.105 785 R HA -0.151 4.187 4.340 -0.003 0.000 0.239 785 R C 1.779 178.017 176.300 -0.104 0.000 1.135 785 R CA 1.120 57.189 56.100 -0.051 0.000 0.967 785 R CB -1.005 29.271 30.300 -0.040 0.000 0.861 785 R HN 0.390 nan 8.270 nan 0.000 0.442 786 D N -0.622 119.686 120.400 -0.153 0.000 2.123 786 D HA -0.114 4.524 4.640 -0.003 0.000 0.200 786 D C 1.884 177.967 176.300 -0.362 0.000 0.976 786 D CA 0.983 54.847 54.000 -0.226 0.000 0.831 786 D CB -0.256 40.393 40.800 -0.251 0.000 0.974 786 D HN 0.209 nan 8.370 nan 0.000 0.469 787 Y N 1.475 121.454 120.300 -0.535 0.000 2.200 787 Y HA -0.145 4.404 4.550 -0.003 0.000 0.290 787 Y C 2.573 177.989 175.900 -0.806 0.000 1.137 787 Y CA 1.205 58.729 58.100 -0.960 0.000 1.163 787 Y CB -0.165 37.178 38.460 -1.860 0.000 0.988 787 Y HN 0.021 nan 8.280 nan 0.000 0.518 788 Q N -0.658 118.984 119.800 -0.262 0.000 2.030 788 Q HA -0.236 4.102 4.340 -0.003 0.000 0.204 788 Q C 2.562 178.552 176.000 -0.018 0.000 0.986 788 Q CA 1.643 57.466 55.803 0.032 0.000 0.843 788 Q CB -0.431 28.366 28.738 0.098 0.000 0.904 788 Q HN 0.519 nan 8.270 nan 0.000 0.420 789 A N 0.993 123.766 122.820 -0.078 0.000 1.930 789 A HA -0.149 4.169 4.320 -0.003 0.000 0.217 789 A C 1.948 179.477 177.584 -0.093 0.000 1.175 789 A CA 1.267 53.265 52.037 -0.064 0.000 0.627 789 A CB -0.217 18.743 19.000 -0.066 0.000 0.815 789 A HN 0.202 nan 8.150 nan 0.000 0.443 790 R N -1.512 118.875 120.500 -0.189 0.000 2.189 790 R HA 0.364 4.702 4.340 -0.003 0.000 0.203 790 R C 1.196 177.316 176.300 -0.300 0.000 1.012 790 R CA 1.051 56.998 56.100 -0.254 0.000 1.015 790 R CB 0.059 30.136 30.300 -0.372 0.000 0.938 790 R HN 0.538 nan 8.270 nan 0.000 0.472 791 I N -2.362 118.072 120.570 -0.226 0.000 3.620 791 I HA 0.015 4.183 4.170 -0.003 0.000 0.255 791 I C 1.327 177.598 176.117 0.256 0.000 1.124 791 I CA -0.230 61.054 61.300 -0.026 0.000 1.526 791 I CB -0.264 37.620 38.000 -0.192 0.000 1.681 791 I HN 0.031 nan 8.210 nan 0.000 0.420 792 W N 2.159 123.555 121.300 0.161 0.000 2.335 792 W HA -0.117 4.541 4.660 -0.002 0.000 0.311 792 W C 1.971 178.519 176.519 0.048 0.000 1.213 792 W CA 0.810 58.236 57.345 0.135 0.000 1.274 792 W CB -0.915 28.608 29.460 0.105 0.000 1.148 792 W HN 0.253 nan 8.180 nan 0.000 0.498 793 Q N -0.864 119.077 119.800 0.234 0.000 2.220 793 Q HA 0.336 4.674 4.340 -0.003 0.000 0.205 793 Q C 0.580 176.607 176.000 0.044 0.000 0.865 793 Q CA 0.028 55.899 55.803 0.114 0.000 0.960 793 Q CB -0.228 28.571 28.738 0.101 0.000 1.097 793 Q HN 0.019 nan 8.270 nan 0.000 0.493 794 A N 1.350 124.196 122.820 0.044 0.000 2.346 794 A HA 0.320 4.638 4.320 -0.003 0.000 0.252 794 A C 0.279 177.845 177.584 -0.031 0.000 1.089 794 A CA -0.349 51.695 52.037 0.011 0.000 0.797 794 A CB 0.362 19.382 19.000 0.033 0.000 1.047 794 A HN 0.082 nan 8.150 nan 0.000 0.494 795 K N 0.952 121.337 120.400 -0.024 0.000 2.298 795 K HA 0.236 4.554 4.320 -0.003 0.000 0.280 795 K C 0.190 176.749 176.600 -0.069 0.000 1.032 795 K CA 0.053 56.312 56.287 -0.047 0.000 0.958 795 K CB 0.477 32.965 32.500 -0.020 0.000 0.978 795 K HN 0.655 nan 8.250 nan 0.000 0.472 796 R N 0.000 120.428 120.500 -0.120 0.000 2.786 796 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 796 R CA 0.000 56.007 56.100 -0.155 0.000 0.921 796 R CB 0.000 30.139 30.300 -0.268 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535