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 2ji7_1_A DATA FIRST_RESID 7 DATA SEQUENCE VELTDGFHVL IDALKMNDID TMYGVVGIPI TNLARMWQDD GQRFYSFRHE DATA SEQUENCE QHAGYAASIA GYIEGKPGVC LTVSAPGFLN GVTSLAHATT NCFPMILLSG DATA SEQUENCE SSEREIVDLQ QGDYEEMDQM NVARPHCKAS FRINSIKDIP IGIARAVRTA DATA SEQUENCE VSGRPGGVYV DLPAKLFGQT ISVEEANKLL FKPIDPAPAQ IPAEDAIARA DATA SEQUENCE ADLIKNAKRP VIMLGKGAAY AQCDDEIRAL VEETGIPFLP MGMAKGLLPD DATA SEQUENCE NHPQSAAATR AFALAQCDVC VLIGARLNWL MQHGKGKTWG DELKKYVQID DATA SEQUENCE IQANEMDSNQ PIAAPVVGDI KSAVSLLRKA LKGAPKADAE WTGALKAKVD DATA SEQUENCE GNKAKLAGKM TAETPSGMMN YSNSLGVVRD FMLANPDISL VNEGANALDN DATA SEQUENCE TRMIVDMLKP RKRLDSGTWG VMGIGMGYCV AAAAVTGKPV IAVEGDSAFG DATA SEQUENCE FSGMELETIC RYNLPVTVII MNNGGIYKGN EADPQPGVIS CTRLTRGRYD DATA SEQUENCE MMMEAFGGKG YVANTPAELK AALEEAVASG KPCLINAMID PDAGVESGRI DATA SEQUENCE KSLNVVSKV 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.097 176.094 0.005 0.000 1.182 7 V CA 0.000 62.303 62.300 0.005 0.000 1.235 7 V CB 0.000 31.827 31.823 0.006 0.000 1.184 8 E N 4.507 124.709 120.200 0.003 0.000 2.376 8 E HA 0.413 4.764 4.350 0.001 0.000 0.266 8 E C -1.017 175.586 176.600 0.004 0.000 1.009 8 E CA -0.135 56.265 56.400 0.000 0.000 0.902 8 E CB 0.767 30.463 29.700 -0.006 0.000 0.972 8 E HN 0.568 nan 8.360 nan 0.000 0.439 9 L N 2.997 124.224 121.223 0.007 0.000 2.334 9 L HA 0.489 4.829 4.340 0.001 0.000 0.270 9 L C 0.509 177.389 176.870 0.017 0.000 1.018 9 L CA -0.600 54.251 54.840 0.019 0.000 0.811 9 L CB 1.917 43.993 42.059 0.029 0.000 1.271 9 L HN 0.526 nan 8.230 nan 0.000 0.443 10 T N -0.823 113.755 114.554 0.041 0.000 2.831 10 T HA 0.537 4.888 4.350 0.001 0.000 0.287 10 T C -1.768 173.015 174.700 0.139 0.000 1.070 10 T CA -0.521 61.620 62.100 0.069 0.000 1.010 10 T CB 1.818 70.718 68.868 0.052 0.000 1.264 10 T HN 0.804 nan 8.240 nan 0.000 0.532 11 D N -0.975 119.576 120.400 0.250 0.000 2.614 11 D HA 0.471 5.112 4.640 0.001 0.000 0.264 11 D C 1.362 177.786 176.300 0.207 0.000 1.092 11 D CA -0.148 53.988 54.000 0.226 0.000 1.071 11 D CB 0.356 41.327 40.800 0.284 0.000 1.443 11 D HN 0.664 nan 8.370 nan 0.000 0.528 12 G N -0.452 108.407 108.800 0.098 0.000 2.440 12 G HA2 -0.246 3.714 3.960 0.001 0.000 0.218 12 G HA3 -0.246 3.714 3.960 0.001 0.000 0.218 12 G C 1.134 176.111 174.900 0.128 0.000 1.154 12 G CA 0.553 45.669 45.100 0.025 0.000 0.767 12 G HN 0.370 nan 8.290 nan 0.000 0.552 13 F N 0.876 120.947 119.950 0.202 0.000 2.043 13 F HA -0.112 4.415 4.527 0.000 0.000 0.297 13 F C 2.685 178.482 175.800 -0.005 0.000 1.118 13 F CA 1.982 60.023 58.000 0.070 0.000 1.202 13 F CB -0.889 38.006 39.000 -0.176 0.000 0.965 13 F HN 0.228 nan 8.300 nan 0.000 0.482 14 H N -1.452 117.814 119.070 0.327 0.000 2.395 14 H HA -0.068 4.488 4.556 0.001 0.000 0.299 14 H C 2.283 177.711 175.328 0.166 0.000 1.070 14 H CA 1.337 57.512 56.048 0.211 0.000 1.356 14 H CB -0.415 29.440 29.762 0.155 0.000 1.401 14 H HN 0.016 nan 8.280 nan 0.000 0.524 15 V N 0.684 120.750 119.914 0.253 0.000 2.343 15 V HA -0.221 3.899 4.120 0.001 0.000 0.247 15 V C 2.327 178.503 176.094 0.138 0.000 1.051 15 V CA 1.493 63.889 62.300 0.160 0.000 1.036 15 V CB -0.514 31.374 31.823 0.109 0.000 0.654 15 V HN 0.286 nan 8.190 nan 0.000 0.451 16 L N -0.020 121.290 121.223 0.146 0.000 2.017 16 L HA -0.124 4.217 4.340 0.001 0.000 0.208 16 L C 2.167 179.140 176.870 0.171 0.000 1.073 16 L CA 1.848 56.766 54.840 0.130 0.000 0.745 16 L CB -0.550 41.600 42.059 0.151 0.000 0.894 16 L HN 0.213 nan 8.230 nan 0.000 0.432 17 I N -0.270 120.448 120.570 0.246 0.000 2.163 17 I HA -0.312 3.859 4.170 0.001 0.000 0.243 17 I C 2.031 178.346 176.117 0.330 0.000 1.085 17 I CA 1.540 63.071 61.300 0.384 0.000 1.347 17 I CB -0.515 37.720 38.000 0.392 0.000 1.044 17 I HN 0.299 nan 8.210 nan 0.000 0.408 18 D N 0.899 121.432 120.400 0.222 0.000 2.144 18 D HA -0.125 4.515 4.640 0.001 0.000 0.200 18 D C 2.241 178.608 176.300 0.111 0.000 0.978 18 D CA 1.494 55.585 54.000 0.152 0.000 0.833 18 D CB -0.214 40.659 40.800 0.122 0.000 0.961 18 D HN 0.349 nan 8.370 nan 0.000 0.470 19 A N 0.626 123.500 122.820 0.091 0.000 1.902 19 A HA -0.114 4.207 4.320 0.001 0.000 0.217 19 A C 2.375 179.981 177.584 0.037 0.000 1.181 19 A CA 0.864 52.915 52.037 0.023 0.000 0.623 19 A CB -0.768 18.231 19.000 -0.002 0.000 0.818 19 A HN 0.195 nan 8.150 nan 0.000 0.443 20 L N -0.741 120.549 121.223 0.111 0.000 2.017 20 L HA -0.228 4.112 4.340 0.001 0.000 0.208 20 L C 2.605 179.597 176.870 0.203 0.000 1.073 20 L CA 1.887 56.816 54.840 0.148 0.000 0.745 20 L CB -0.428 41.727 42.059 0.160 0.000 0.894 20 L HN 0.347 nan 8.230 nan 0.000 0.432 21 K N -0.812 119.733 120.400 0.241 0.000 2.097 21 K HA -0.154 4.167 4.320 0.001 0.000 0.206 21 K C 2.128 178.772 176.600 0.073 0.000 1.049 21 K CA 1.174 57.552 56.287 0.152 0.000 0.933 21 K CB -0.110 32.448 32.500 0.097 0.000 0.717 21 K HN 0.171 nan 8.250 nan 0.000 0.442 22 M N 0.984 120.609 119.600 0.042 0.000 2.279 22 M HA -0.121 4.360 4.480 0.001 0.000 0.264 22 M C 0.983 177.270 176.300 -0.023 0.000 1.062 22 M CA 1.352 56.648 55.300 -0.006 0.000 1.099 22 M CB -0.612 31.958 32.600 -0.051 0.000 1.394 22 M HN 0.149 nan 8.290 nan 0.000 0.426 23 N N 0.675 119.368 118.700 -0.012 0.000 2.313 23 N HA -0.023 4.717 4.740 0.001 0.000 0.207 23 N C -0.564 174.967 175.510 0.035 0.000 1.141 23 N CA 0.153 53.197 53.050 -0.010 0.000 0.830 23 N CB 0.268 38.740 38.487 -0.024 0.000 1.008 23 N HN 0.254 nan 8.380 nan 0.000 0.481 24 D N 0.448 120.878 120.400 0.050 0.000 2.981 24 D HA -0.146 4.494 4.640 0.001 0.000 0.223 24 D C -0.286 176.073 176.300 0.099 0.000 1.151 24 D CA 0.657 54.693 54.000 0.061 0.000 0.827 24 D CB -1.099 39.725 40.800 0.040 0.000 1.101 24 D HN 0.272 nan 8.370 nan 0.000 0.426 25 I N 1.658 122.320 120.570 0.154 0.000 2.371 25 I HA 0.133 4.303 4.170 0.001 0.000 0.290 25 I C 1.375 177.696 176.117 0.340 0.000 1.028 25 I CA 0.103 61.546 61.300 0.238 0.000 1.345 25 I CB 1.146 39.294 38.000 0.246 0.000 1.407 25 I HN -0.080 nan 8.210 nan 0.000 0.501 26 D N 1.898 122.468 120.400 0.283 0.000 2.520 26 D HA 0.077 4.717 4.640 0.001 0.000 0.223 26 D C -0.008 176.467 176.300 0.292 0.000 1.186 26 D CA -0.024 54.081 54.000 0.175 0.000 0.821 26 D CB 0.569 41.382 40.800 0.022 0.000 1.072 26 D HN 0.323 nan 8.370 nan 0.000 0.518 27 T N 0.646 115.443 114.554 0.405 0.000 2.921 27 T HA 0.543 4.893 4.350 0.001 0.000 0.297 27 T C -0.629 174.127 174.700 0.093 0.000 1.013 27 T CA -0.594 61.649 62.100 0.239 0.000 0.990 27 T CB 1.916 70.809 68.868 0.042 0.000 1.023 27 T HN -0.030 nan 8.240 nan 0.000 0.447 28 M N 2.598 122.177 119.600 -0.034 0.000 2.530 28 M HA 0.526 5.007 4.480 0.001 0.000 0.307 28 M C -1.640 174.289 176.300 -0.618 0.000 1.161 28 M CA -0.888 54.238 55.300 -0.290 0.000 0.903 28 M CB 2.379 34.834 32.600 -0.241 0.000 1.711 28 M HN 0.596 nan 8.290 nan 0.000 0.451 29 Y N 0.254 120.456 120.300 -0.164 0.000 2.335 29 Y HA 0.806 5.356 4.550 0.001 0.000 0.338 29 Y C 0.533 176.287 175.900 -0.243 0.000 0.977 29 Y CA -0.513 57.506 58.100 -0.134 0.000 1.114 29 Y CB 1.983 40.409 38.460 -0.057 0.000 1.182 29 Y HN 0.825 nan 8.280 nan 0.000 0.463 30 G N 0.607 109.353 108.800 -0.090 0.000 2.489 30 G HA2 0.582 4.542 3.960 0.001 0.000 0.305 30 G HA3 0.582 4.542 3.960 0.001 0.000 0.305 30 G C -2.251 172.880 174.900 0.384 0.000 1.311 30 G CA -0.788 44.404 45.100 0.154 0.000 0.813 30 G HN 0.397 nan 8.290 nan 0.000 0.480 31 V N 0.580 120.717 119.914 0.371 0.000 2.686 31 V HA 0.650 4.770 4.120 0.001 0.000 0.306 31 V C 0.694 176.945 176.094 0.262 0.000 1.065 31 V CA -0.531 61.966 62.300 0.327 0.000 0.894 31 V CB 1.134 33.075 31.823 0.196 0.000 1.004 31 V HN 1.243 nan 8.190 nan 0.000 0.424 32 V N 1.879 121.919 119.914 0.209 0.000 3.556 32 V HA 1.110 5.231 4.120 0.001 0.000 0.292 32 V C 0.502 176.643 176.094 0.078 0.000 1.030 32 V CA 0.365 62.718 62.300 0.089 0.000 1.009 32 V CB 1.132 32.947 31.823 -0.013 0.000 1.242 32 V HN 1.887 nan 8.190 nan 0.000 0.431 33 G N -0.561 108.267 108.800 0.047 0.000 2.351 33 G HA2 0.142 4.102 3.960 0.001 0.000 0.353 33 G HA3 0.142 4.102 3.960 0.001 0.000 0.353 33 G C -1.020 173.924 174.900 0.073 0.000 1.358 33 G CA -0.607 44.535 45.100 0.070 0.000 0.995 33 G HN 1.030 nan 8.290 nan 0.000 0.611 34 I N 1.828 122.459 120.570 0.102 0.000 2.710 34 I HA 0.215 4.385 4.170 0.001 0.000 0.286 34 I C -1.083 175.142 176.117 0.180 0.000 1.181 34 I CA -1.014 60.343 61.300 0.096 0.000 1.430 34 I CB 1.267 39.275 38.000 0.012 0.000 1.367 34 I HN 0.344 nan 8.210 nan 0.000 0.577 35 P HA 0.159 nan 4.420 nan 0.000 0.266 35 P C 0.298 177.604 177.300 0.010 0.000 1.561 35 P CA 0.052 63.214 63.100 0.103 0.000 1.089 35 P CB -0.025 31.785 31.700 0.184 0.000 1.534 36 I N -5.527 115.030 120.570 -0.021 0.000 4.154 36 I HA 0.263 4.433 4.170 0.001 0.000 0.334 36 I C 1.401 177.429 176.117 -0.148 0.000 1.371 36 I CA 0.030 61.245 61.300 -0.142 0.000 1.110 36 I CB -1.318 36.647 38.000 -0.058 0.000 1.085 36 I HN -0.379 nan 8.210 nan 0.000 0.398 37 T N 1.523 116.012 114.554 -0.108 0.000 2.665 37 T HA -0.150 4.201 4.350 0.001 0.000 0.268 37 T C 1.670 176.236 174.700 -0.225 0.000 1.035 37 T CA 2.225 64.236 62.100 -0.148 0.000 1.151 37 T CB -0.446 68.366 68.868 -0.094 0.000 0.862 37 T HN 0.453 nan 8.240 nan 0.000 0.438 38 N N 0.959 119.512 118.700 -0.246 0.000 2.396 38 N HA 0.027 4.767 4.740 0.001 0.000 0.180 38 N C 1.743 176.939 175.510 -0.523 0.000 1.028 38 N CA 0.352 53.154 53.050 -0.413 0.000 0.893 38 N CB -0.312 37.852 38.487 -0.538 0.000 0.967 38 N HN 0.241 nan 8.380 nan 0.000 0.440 39 L N 1.456 122.483 121.223 -0.326 0.000 2.017 39 L HA -0.037 4.304 4.340 0.001 0.000 0.208 39 L C 2.195 178.959 176.870 -0.177 0.000 1.073 39 L CA 1.534 56.276 54.840 -0.163 0.000 0.745 39 L CB -0.893 41.085 42.059 -0.135 0.000 0.894 39 L HN 0.082 nan 8.230 nan 0.000 0.432 40 A N -0.432 122.199 122.820 -0.316 0.000 1.902 40 A HA -0.232 4.088 4.320 0.001 0.000 0.217 40 A C 2.420 179.830 177.584 -0.290 0.000 1.181 40 A CA 1.891 53.607 52.037 -0.535 0.000 0.623 40 A CB -0.575 17.751 19.000 -1.124 0.000 0.818 40 A HN 0.508 nan 8.150 nan 0.000 0.443 41 R N -1.168 119.177 120.500 -0.258 0.000 2.083 41 R HA -0.084 4.256 4.340 0.001 0.000 0.237 41 R C 2.266 178.503 176.300 -0.105 0.000 1.137 41 R CA 1.938 57.938 56.100 -0.168 0.000 0.951 41 R CB -0.375 29.814 30.300 -0.185 0.000 0.851 41 R HN 0.555 nan 8.270 nan 0.000 0.434 42 M N -0.819 118.698 119.600 -0.138 0.000 2.254 42 M HA -0.171 4.309 4.480 0.001 0.000 0.265 42 M C 2.037 178.370 176.300 0.056 0.000 1.066 42 M CA 1.206 56.452 55.300 -0.091 0.000 1.123 42 M CB -0.253 32.202 32.600 -0.242 0.000 1.388 42 M HN 0.382 nan 8.290 nan 0.000 0.425 43 W N 1.698 122.937 121.300 -0.103 0.000 2.335 43 W HA -0.253 4.407 4.660 0.000 0.000 0.311 43 W C 1.919 178.427 176.519 -0.018 0.000 1.213 43 W CA 1.724 59.051 57.345 -0.029 0.000 1.274 43 W CB -0.307 29.156 29.460 0.005 0.000 1.148 43 W HN 0.297 nan 8.180 nan 0.000 0.498 44 Q N -0.053 119.796 119.800 0.081 0.000 2.050 44 Q HA -0.214 4.126 4.340 0.001 0.000 0.202 44 Q C 1.712 177.670 176.000 -0.070 0.000 0.980 44 Q CA 1.776 57.563 55.803 -0.027 0.000 0.840 44 Q CB -0.490 28.263 28.738 0.024 0.000 0.898 44 Q HN 0.185 nan 8.270 nan 0.000 0.424 45 D N 0.835 121.209 120.400 -0.045 0.000 2.149 45 D HA -0.172 4.469 4.640 0.001 0.000 0.198 45 D C 1.280 177.548 176.300 -0.053 0.000 0.990 45 D CA 1.297 55.272 54.000 -0.042 0.000 0.839 45 D CB -0.285 40.498 40.800 -0.029 0.000 0.948 45 D HN 0.234 nan 8.370 nan 0.000 0.460 46 D N -1.184 119.174 120.400 -0.071 0.000 2.312 46 D HA 0.007 4.647 4.640 0.001 0.000 0.211 46 D C 1.302 177.505 176.300 -0.161 0.000 0.964 46 D CA 1.382 55.325 54.000 -0.095 0.000 0.877 46 D CB 0.087 40.830 40.800 -0.095 0.000 0.924 46 D HN 0.270 nan 8.370 nan 0.000 0.515 47 G N -0.688 107.992 108.800 -0.200 0.000 2.168 47 G HA2 -0.188 3.772 3.960 0.001 0.000 0.197 47 G HA3 -0.188 3.772 3.960 0.001 0.000 0.197 47 G C 0.052 174.775 174.900 -0.295 0.000 0.997 47 G CA -0.175 44.807 45.100 -0.197 0.000 0.658 47 G HN 0.230 nan 8.290 nan 0.000 0.513 48 Q N 0.086 119.576 119.800 -0.518 0.000 2.199 48 Q HA 0.590 4.930 4.340 0.001 0.000 0.232 48 Q C 0.521 176.268 176.000 -0.422 0.000 0.969 48 Q CA -0.422 54.945 55.803 -0.726 0.000 0.925 48 Q CB 0.755 28.359 28.738 -1.890 0.000 1.198 48 Q HN 0.477 nan 8.270 nan 0.000 0.494 49 R N 0.521 120.906 120.500 -0.192 0.000 2.254 49 R HA 0.429 4.770 4.340 0.001 0.000 0.318 49 R C -0.781 175.614 176.300 0.159 0.000 1.031 49 R CA -0.282 55.766 56.100 -0.087 0.000 0.905 49 R CB 0.584 30.792 30.300 -0.152 0.000 1.050 49 R HN 0.382 nan 8.270 nan 0.000 0.456 50 F N 3.265 123.162 119.950 -0.088 0.000 2.460 50 F HA 0.318 4.846 4.527 0.001 0.000 0.341 50 F C -1.105 174.542 175.800 -0.255 0.000 1.130 50 F CA -0.880 57.114 58.000 -0.010 0.000 0.962 50 F CB 0.926 40.018 39.000 0.154 0.000 1.171 50 F HN 0.397 nan 8.300 nan 0.000 0.436 51 Y N 3.720 123.724 120.300 -0.492 0.000 2.404 51 Y HA 0.341 4.891 4.550 0.001 0.000 0.344 51 Y C 0.482 176.307 175.900 -0.125 0.000 0.970 51 Y CA -0.399 57.451 58.100 -0.417 0.000 1.180 51 Y CB 1.183 39.432 38.460 -0.352 0.000 1.138 51 Y HN 0.392 nan 8.280 nan 0.000 0.510 52 S N 4.530 120.462 115.700 0.387 0.000 2.489 52 S HA 0.445 4.915 4.470 0.001 0.000 0.277 52 S C -0.511 174.297 174.600 0.347 0.000 1.230 52 S CA -0.494 58.000 58.200 0.490 0.000 1.053 52 S CB 0.079 63.577 63.200 0.496 0.000 0.955 52 S HN 0.367 nan 8.310 nan 0.000 0.488 53 F N 1.704 121.812 119.950 0.264 0.000 2.461 53 F HA 0.522 5.049 4.527 0.001 0.000 0.337 53 F C 1.715 177.625 175.800 0.183 0.000 1.079 53 F CA -1.000 57.136 58.000 0.227 0.000 1.032 53 F CB 0.649 39.777 39.000 0.214 0.000 1.327 53 F HN 0.315 nan 8.300 nan 0.000 0.491 54 R N -0.286 120.435 120.500 0.369 0.000 2.300 54 R HA 0.106 4.446 4.340 0.001 0.000 0.199 54 R C -0.368 176.113 176.300 0.302 0.000 0.920 54 R CA 0.431 56.681 56.100 0.250 0.000 1.046 54 R CB -0.529 29.861 30.300 0.150 0.000 0.984 54 R HN 0.492 nan 8.270 nan 0.000 0.493 55 H N -0.367 118.845 119.070 0.236 0.000 3.123 55 H HA 0.133 4.690 4.556 0.001 0.000 0.346 55 H C -0.255 175.076 175.328 0.004 0.000 1.138 55 H CA -0.210 55.901 56.048 0.105 0.000 1.273 55 H CB 1.649 31.470 29.762 0.098 0.000 1.926 55 H HN -0.214 nan 8.280 nan 0.000 0.524 56 E N 2.155 122.301 120.200 -0.089 0.000 2.204 56 E HA -0.156 4.195 4.350 0.001 0.000 0.194 56 E C 1.866 178.352 176.600 -0.190 0.000 0.989 56 E CA 1.086 57.423 56.400 -0.106 0.000 0.824 56 E CB 0.237 29.854 29.700 -0.137 0.000 0.756 56 E HN 0.591 nan 8.360 nan 0.000 0.477 57 Q N -0.060 119.665 119.800 -0.125 0.000 2.135 57 Q HA -0.227 4.114 4.340 0.001 0.000 0.204 57 Q C 1.447 177.013 176.000 -0.723 0.000 0.981 57 Q CA 1.374 56.858 55.803 -0.532 0.000 0.856 57 Q CB 0.050 28.400 28.738 -0.647 0.000 0.902 57 Q HN 0.475 nan 8.270 nan 0.000 0.425 58 H N -0.875 118.084 119.070 -0.187 0.000 2.448 58 H HA 0.106 4.662 4.556 0.001 0.000 0.292 58 H C 1.952 176.885 175.328 -0.659 0.000 1.035 58 H CA 1.002 56.952 56.048 -0.163 0.000 1.349 58 H CB -0.271 29.552 29.762 0.101 0.000 1.425 58 H HN 0.407 nan 8.280 nan 0.000 0.539 59 A N 1.107 123.362 122.820 -0.940 0.000 1.908 59 A HA -0.125 4.195 4.320 0.001 0.000 0.218 59 A C 2.802 180.060 177.584 -0.543 0.000 1.181 59 A CA 1.766 53.075 52.037 -1.213 0.000 0.627 59 A CB -1.171 17.476 19.000 -0.588 0.000 0.818 59 A HN 0.462 nan 8.150 nan 0.000 0.445 60 G N -1.780 106.788 108.800 -0.386 0.000 2.402 60 G HA2 -0.161 3.799 3.960 0.001 0.000 0.216 60 G HA3 -0.161 3.799 3.960 0.001 0.000 0.216 60 G C 1.440 176.262 174.900 -0.130 0.000 1.162 60 G CA 1.133 46.080 45.100 -0.256 0.000 0.777 60 G HN 0.497 nan 8.290 nan 0.000 0.539 61 Y N 1.437 121.697 120.300 -0.067 0.000 2.181 61 Y HA 0.065 4.616 4.550 0.001 0.000 0.288 61 Y C 3.133 179.097 175.900 0.107 0.000 1.146 61 Y CA 0.176 58.337 58.100 0.101 0.000 1.164 61 Y CB -0.948 37.541 38.460 0.049 0.000 0.982 61 Y HN 0.263 nan 8.280 nan 0.000 0.515 62 A N 0.370 123.190 122.820 0.000 0.000 1.873 62 A HA -0.241 4.080 4.320 0.001 0.000 0.218 62 A C 2.554 179.815 177.584 -0.539 0.000 1.193 62 A CA 2.558 54.381 52.037 -0.357 0.000 0.629 62 A CB -1.377 17.208 19.000 -0.691 0.000 0.826 62 A HN 0.410 nan 8.150 nan 0.000 0.447 63 A N 0.119 122.690 122.820 -0.415 0.000 1.908 63 A HA -0.145 4.175 4.320 0.001 0.000 0.218 63 A C 2.557 180.150 177.584 0.015 0.000 1.181 63 A CA 2.756 54.732 52.037 -0.102 0.000 0.627 63 A CB -1.151 17.897 19.000 0.080 0.000 0.818 63 A HN 1.170 nan 8.150 nan 0.000 0.445 64 S N -0.492 115.271 115.700 0.105 0.000 2.370 64 S HA -0.162 4.309 4.470 0.001 0.000 0.226 64 S C 1.811 176.444 174.600 0.054 0.000 1.033 64 S CA 1.620 59.963 58.200 0.239 0.000 1.011 64 S CB -0.491 63.023 63.200 0.524 0.000 0.852 64 S HN 0.361 nan 8.310 nan 0.000 0.457 65 I N 2.206 122.687 120.570 -0.149 0.000 2.716 65 I HA 0.249 4.419 4.170 0.001 0.000 0.259 65 I C 2.574 178.542 176.117 -0.248 0.000 1.172 65 I CA 0.373 61.397 61.300 -0.460 0.000 1.478 65 I CB -0.857 36.561 38.000 -0.971 0.000 1.104 65 I HN 0.357 nan 8.210 nan 0.000 0.439 66 A N 0.260 122.988 122.820 -0.154 0.000 1.917 66 A HA -0.167 4.153 4.320 0.001 0.000 0.219 66 A C 2.439 180.027 177.584 0.007 0.000 1.182 66 A CA 1.894 53.913 52.037 -0.029 0.000 0.633 66 A CB -1.668 17.393 19.000 0.102 0.000 0.819 66 A HN 0.461 nan 8.150 nan 0.000 0.448 67 G N -1.677 107.139 108.800 0.027 0.000 2.421 67 G HA2 -0.288 3.672 3.960 0.001 0.000 0.216 67 G HA3 -0.288 3.672 3.960 0.001 0.000 0.216 67 G C 1.564 176.528 174.900 0.105 0.000 1.171 67 G CA 1.318 46.471 45.100 0.088 0.000 0.775 67 G HN 0.623 nan 8.290 nan 0.000 0.543 68 Y N 1.318 121.472 120.300 -0.243 0.000 2.128 68 Y HA -0.099 4.451 4.550 0.001 0.000 0.284 68 Y C 2.544 178.389 175.900 -0.092 0.000 1.154 68 Y CA 1.596 59.521 58.100 -0.291 0.000 1.149 68 Y CB -0.227 37.568 38.460 -1.109 0.000 0.976 68 Y HN 0.196 nan 8.280 nan 0.000 0.505 69 I N 0.108 120.544 120.570 -0.223 0.000 2.252 69 I HA -0.238 3.932 4.170 0.001 0.000 0.245 69 I C 2.097 178.073 176.117 -0.235 0.000 1.102 69 I CA 1.834 62.970 61.300 -0.272 0.000 1.385 69 I CB -0.314 37.615 38.000 -0.119 0.000 1.064 69 I HN 0.273 nan 8.210 nan 0.000 0.414 70 E N 0.153 120.274 120.200 -0.132 0.000 2.340 70 E HA 0.083 4.433 4.350 0.001 0.000 0.194 70 E C 1.412 177.933 176.600 -0.131 0.000 0.996 70 E CA 0.586 56.925 56.400 -0.102 0.000 0.869 70 E CB 0.312 30.000 29.700 -0.022 0.000 0.835 70 E HN 0.527 nan 8.360 nan 0.000 0.493 71 G N 2.855 111.587 108.800 -0.113 0.000 2.160 71 G HA2 -0.326 3.635 3.960 0.001 0.000 0.251 71 G HA3 -0.326 3.635 3.960 0.001 0.000 0.251 71 G C 0.041 174.963 174.900 0.036 0.000 1.008 71 G CA 1.134 46.170 45.100 -0.106 0.000 0.724 71 G HN 0.337 nan 8.290 nan 0.000 0.514 72 K N -0.957 119.483 120.400 0.067 0.000 2.435 72 K HA 0.745 5.066 4.320 0.001 0.000 0.251 72 K C -3.279 173.389 176.600 0.113 0.000 0.954 72 K CA -2.568 53.770 56.287 0.086 0.000 0.820 72 K CB 2.729 35.265 32.500 0.060 0.000 1.292 72 K HN -0.065 nan 8.250 nan 0.000 0.436 73 P HA 0.067 nan 4.420 nan 0.000 0.267 73 P C -0.079 177.302 177.300 0.136 0.000 1.209 73 P CA 0.051 63.227 63.100 0.126 0.000 0.763 73 P CB 0.745 32.513 31.700 0.114 0.000 0.816 74 G N 2.634 111.524 108.800 0.150 0.000 2.441 74 G HA2 0.351 4.312 3.960 0.001 0.000 0.243 74 G HA3 0.351 4.312 3.960 0.001 0.000 0.243 74 G C -0.631 174.383 174.900 0.189 0.000 1.281 74 G CA -0.215 45.005 45.100 0.200 0.000 0.854 74 G HN 0.368 nan 8.290 nan 0.000 0.560 75 V N 1.942 121.987 119.914 0.218 0.000 2.409 75 V HA 0.358 4.478 4.120 0.001 0.000 0.291 75 V C 0.005 176.193 176.094 0.156 0.000 1.020 75 V CA -0.956 61.425 62.300 0.136 0.000 0.848 75 V CB 1.267 33.116 31.823 0.045 0.000 0.990 75 V HN 0.923 nan 8.190 nan 0.000 0.430 76 C N 7.110 126.484 119.300 0.123 0.000 2.329 76 C HA 0.821 5.282 4.460 0.001 0.000 0.329 76 C C -0.525 174.528 174.990 0.105 0.000 1.275 76 C CA -0.580 58.499 59.018 0.101 0.000 1.726 76 C CB 0.581 28.355 27.740 0.056 0.000 2.291 76 C HN 0.842 nan 8.230 nan 0.000 0.514 77 L N 6.742 128.042 121.223 0.128 0.000 2.333 77 L HA 0.804 5.144 4.340 0.001 0.000 0.280 77 L C 0.303 177.295 176.870 0.204 0.000 1.004 77 L CA 0.553 55.504 54.840 0.185 0.000 0.820 77 L CB 1.846 44.060 42.059 0.259 0.000 1.247 77 L HN 0.965 nan 8.230 nan 0.000 0.416 78 T N 1.934 116.603 114.554 0.192 0.000 2.887 78 T HA 0.725 5.076 4.350 0.001 0.000 0.292 78 T C 0.196 175.007 174.700 0.184 0.000 1.087 78 T CA -0.168 62.035 62.100 0.173 0.000 1.009 78 T CB 1.119 70.072 68.868 0.141 0.000 1.203 78 T HN 0.713 nan 8.240 nan 0.000 0.518 79 V N 0.480 120.487 119.914 0.156 0.000 3.698 79 V HA 0.627 4.748 4.120 0.001 0.000 0.280 79 V C 0.927 177.130 176.094 0.181 0.000 0.995 79 V CA -0.140 62.256 62.300 0.160 0.000 1.000 79 V CB -0.248 31.657 31.823 0.137 0.000 1.248 79 V HN 1.266 nan 8.190 nan 0.000 0.429 80 S N 0.192 115.985 115.700 0.156 0.000 2.625 80 S HA 0.524 4.994 4.470 0.001 0.000 0.258 80 S C 1.609 176.268 174.600 0.097 0.000 1.256 80 S CA 0.018 58.288 58.200 0.117 0.000 0.983 80 S CB -0.155 63.101 63.200 0.093 0.000 1.032 80 S HN 2.023 nan 8.310 nan 0.000 0.572 81 A N 2.374 125.225 122.820 0.053 0.000 2.028 81 A HA -0.270 4.050 4.320 0.001 0.000 0.296 81 A C 0.206 177.851 177.584 0.102 0.000 3.464 81 A CA 2.731 54.816 52.037 0.081 0.000 1.008 81 A CB -2.932 16.061 19.000 -0.011 0.000 0.658 81 A HN 0.805 nan 8.150 nan 0.000 0.482 82 P HA -0.076 nan 4.420 nan 0.000 0.217 82 P C 1.689 178.964 177.300 -0.041 0.000 1.150 82 P CA 2.056 65.141 63.100 -0.025 0.000 0.832 82 P CB -0.646 31.020 31.700 -0.057 0.000 0.787 83 G N -0.372 108.424 108.800 -0.007 0.000 2.394 83 G HA2 -0.257 3.704 3.960 0.001 0.000 0.214 83 G HA3 -0.257 3.704 3.960 0.001 0.000 0.214 83 G C 1.413 176.315 174.900 0.003 0.000 1.176 83 G CA 0.383 45.471 45.100 -0.020 0.000 0.786 83 G HN 0.198 nan 8.290 nan 0.000 0.533 84 F N 1.377 121.300 119.950 -0.044 0.000 2.091 84 F HA -0.081 4.447 4.527 0.001 0.000 0.299 84 F C 2.331 178.061 175.800 -0.116 0.000 1.103 84 F CA 1.384 59.348 58.000 -0.060 0.000 1.228 84 F CB -0.349 38.615 39.000 -0.059 0.000 0.984 84 F HN 0.052 nan 8.300 nan 0.000 0.477 85 L N 0.280 121.306 121.223 -0.329 0.000 2.042 85 L HA -0.285 4.056 4.340 0.001 0.000 0.210 85 L C 2.324 178.961 176.870 -0.388 0.000 1.076 85 L CA 1.544 56.123 54.840 -0.436 0.000 0.749 85 L CB -0.852 41.120 42.059 -0.144 0.000 0.893 85 L HN 0.233 nan 8.230 nan 0.000 0.432 86 N N 0.327 118.871 118.700 -0.260 0.000 2.069 86 N HA -0.151 4.589 4.740 0.001 0.000 0.191 86 N C 1.777 177.118 175.510 -0.282 0.000 1.031 86 N CA 1.629 54.555 53.050 -0.206 0.000 0.852 86 N CB -0.743 37.612 38.487 -0.221 0.000 1.018 86 N HN 0.352 nan 8.380 nan 0.000 0.423 87 G N 0.425 109.044 108.800 -0.301 0.000 2.422 87 G HA2 -0.172 3.788 3.960 0.001 0.000 0.218 87 G HA3 -0.172 3.788 3.960 0.001 0.000 0.218 87 G C 1.621 176.310 174.900 -0.351 0.000 1.146 87 G CA 0.512 45.440 45.100 -0.286 0.000 0.769 87 G HN 0.263 nan 8.290 nan 0.000 0.547 88 V N 1.784 121.367 119.914 -0.552 0.000 2.759 88 V HA -0.134 3.986 4.120 0.001 0.000 0.256 88 V C 3.291 179.141 176.094 -0.406 0.000 1.080 88 V CA 2.599 64.568 62.300 -0.552 0.000 1.101 88 V CB -0.528 30.734 31.823 -0.935 0.000 0.698 88 V HN 0.664 nan 8.190 nan 0.000 0.477 89 T N -3.016 111.312 114.554 -0.377 0.000 2.788 89 T HA -0.163 4.187 4.350 0.001 0.000 0.268 89 T C 1.925 176.553 174.700 -0.120 0.000 1.044 89 T CA 1.871 63.820 62.100 -0.253 0.000 1.139 89 T CB -0.471 68.265 68.868 -0.220 0.000 0.867 89 T HN 0.471 nan 8.240 nan 0.000 0.454 90 S N 1.450 116.992 115.700 -0.263 0.000 2.387 90 S HA 0.136 4.606 4.470 0.001 0.000 0.226 90 S C 1.819 176.455 174.600 0.060 0.000 1.026 90 S CA 0.661 58.736 58.200 -0.209 0.000 0.972 90 S CB -0.545 62.344 63.200 -0.519 0.000 0.814 90 S HN 0.321 nan 8.310 nan 0.000 0.477 91 L N 2.191 123.399 121.223 -0.025 0.000 2.042 91 L HA -0.068 4.272 4.340 0.001 0.000 0.210 91 L C 2.424 179.325 176.870 0.052 0.000 1.076 91 L CA 1.771 56.630 54.840 0.031 0.000 0.749 91 L CB -0.960 41.107 42.059 0.013 0.000 0.893 91 L HN 0.272 nan 8.230 nan 0.000 0.432 92 A N -1.196 121.664 122.820 0.068 0.000 1.883 92 A HA -0.344 3.977 4.320 0.001 0.000 0.217 92 A C 2.266 179.829 177.584 -0.034 0.000 1.186 92 A CA 2.001 54.125 52.037 0.145 0.000 0.624 92 A CB -1.138 18.043 19.000 0.301 0.000 0.822 92 A HN 0.758 nan 8.150 nan 0.000 0.444 93 H N -0.073 119.018 119.070 0.035 0.000 2.319 93 H HA 0.008 4.564 4.556 0.001 0.000 0.299 93 H C 2.104 177.300 175.328 -0.220 0.000 1.092 93 H CA 2.207 58.209 56.048 -0.078 0.000 1.302 93 H CB -0.347 29.600 29.762 0.309 0.000 1.373 93 H HN 0.376 nan 8.280 nan 0.000 0.497 94 A N -0.219 122.491 122.820 -0.182 0.000 1.883 94 A HA -0.214 4.107 4.320 0.001 0.000 0.217 94 A C 2.535 179.917 177.584 -0.337 0.000 1.186 94 A CA 2.339 54.245 52.037 -0.219 0.000 0.624 94 A CB -1.241 17.803 19.000 0.074 0.000 0.822 94 A HN 0.614 nan 8.150 nan 0.000 0.444 95 T N -0.207 114.205 114.554 -0.237 0.000 2.746 95 T HA -0.131 4.219 4.350 0.001 0.000 0.267 95 T C 1.987 176.461 174.700 -0.376 0.000 1.039 95 T CA 1.938 63.901 62.100 -0.229 0.000 1.142 95 T CB -0.675 68.119 68.868 -0.124 0.000 0.866 95 T HN 0.558 nan 8.240 nan 0.000 0.444 96 T N 2.313 116.526 114.554 -0.568 0.000 2.759 96 T HA -0.087 4.263 4.350 0.001 0.000 0.269 96 T C 1.729 176.028 174.700 -0.668 0.000 1.042 96 T CA 0.938 62.595 62.100 -0.738 0.000 1.140 96 T CB -0.226 67.794 68.868 -1.414 0.000 0.864 96 T HN 0.392 nan 8.240 nan 0.000 0.455 97 N N -0.124 118.071 118.700 -0.842 0.000 2.336 97 N HA 0.074 4.814 4.740 0.001 0.000 0.189 97 N C 0.092 175.085 175.510 -0.862 0.000 1.113 97 N CA 0.203 52.636 53.050 -1.029 0.000 0.858 97 N CB 0.005 37.385 38.487 -1.846 0.000 0.970 97 N HN 0.332 nan 8.380 nan 0.000 0.471 98 C N 1.220 120.196 119.300 -0.541 0.000 4.454 98 C HA -0.183 4.278 4.460 0.001 0.000 0.298 98 C C -0.368 174.548 174.990 -0.123 0.000 1.384 98 C CA -0.389 58.455 59.018 -0.290 0.000 2.002 98 C CB -3.191 24.416 27.740 -0.222 0.000 1.249 98 C HN 0.155 nan 8.230 nan 0.000 0.783 99 F N 2.054 121.869 119.950 -0.225 0.000 2.420 99 F HA 0.525 5.052 4.527 0.001 0.000 0.342 99 F C -1.292 174.457 175.800 -0.085 0.000 1.113 99 F CA -3.468 54.441 58.000 -0.152 0.000 1.059 99 F CB 0.496 39.449 39.000 -0.079 0.000 1.128 99 F HN -0.014 nan 8.300 nan 0.000 0.475 100 P HA 0.276 nan 4.420 nan 0.000 0.276 100 P C -0.702 176.686 177.300 0.146 0.000 1.243 100 P CA -0.179 62.998 63.100 0.129 0.000 0.768 100 P CB 1.541 33.337 31.700 0.160 0.000 0.856 101 M N 4.114 123.791 119.600 0.129 0.000 2.414 101 M HA 0.445 4.926 4.480 0.001 0.000 0.287 101 M C -2.062 174.314 176.300 0.127 0.000 1.181 101 M CA -0.782 54.598 55.300 0.133 0.000 0.933 101 M CB 2.037 34.721 32.600 0.139 0.000 1.732 101 M HN 0.124 nan 8.290 nan 0.000 0.486 102 I N 4.701 125.347 120.570 0.127 0.000 2.389 102 I HA 0.359 4.529 4.170 0.001 0.000 0.288 102 I C -1.209 174.992 176.117 0.141 0.000 0.999 102 I CA -0.933 60.445 61.300 0.130 0.000 1.129 102 I CB 1.923 39.987 38.000 0.105 0.000 1.288 102 I HN 0.560 nan 8.210 nan 0.000 0.444 103 L N 8.391 129.729 121.223 0.192 0.000 2.257 103 L HA 0.496 4.836 4.340 0.001 0.000 0.290 103 L C -0.974 176.057 176.870 0.269 0.000 1.044 103 L CA 0.031 55.017 54.840 0.244 0.000 0.810 103 L CB 0.653 42.895 42.059 0.305 0.000 1.193 103 L HN 0.436 nan 8.230 nan 0.000 0.425 104 L N 5.085 126.424 121.223 0.194 0.000 2.272 104 L HA 0.592 4.933 4.340 0.001 0.000 0.289 104 L C -0.150 176.868 176.870 0.247 0.000 1.032 104 L CA -0.237 54.689 54.840 0.144 0.000 0.810 104 L CB 1.383 43.492 42.059 0.083 0.000 1.205 104 L HN 0.643 nan 8.230 nan 0.000 0.422 105 S N 1.050 116.929 115.700 0.299 0.000 2.538 105 S HA 0.579 5.050 4.470 0.001 0.000 0.288 105 S C 0.159 174.909 174.600 0.251 0.000 1.108 105 S CA -0.730 57.682 58.200 0.353 0.000 0.971 105 S CB 1.992 65.541 63.200 0.582 0.000 1.041 105 S HN 0.754 nan 8.310 nan 0.000 0.483 106 G N 1.712 110.661 108.800 0.247 0.000 2.491 106 G HA2 0.468 4.428 3.960 0.001 0.000 0.242 106 G HA3 0.468 4.428 3.960 0.001 0.000 0.242 106 G C -0.011 174.990 174.900 0.168 0.000 1.266 106 G CA -0.139 45.108 45.100 0.244 0.000 0.844 106 G HN 0.858 nan 8.290 nan 0.000 0.571 107 S N 0.102 115.874 115.700 0.120 0.000 2.661 107 S HA 0.789 5.259 4.470 0.001 0.000 0.285 107 S C 0.158 174.804 174.600 0.077 0.000 1.138 107 S CA -0.581 57.660 58.200 0.068 0.000 0.855 107 S CB 1.827 65.032 63.200 0.008 0.000 1.136 107 S HN 0.599 nan 8.310 nan 0.000 0.484 108 S N 0.353 116.092 115.700 0.066 0.000 2.337 108 S HA 0.371 4.842 4.470 0.001 0.000 0.258 108 S C -0.351 174.275 174.600 0.043 0.000 1.178 108 S CA -0.846 57.407 58.200 0.087 0.000 1.023 108 S CB -0.280 62.989 63.200 0.115 0.000 1.136 108 S HN 0.801 nan 8.310 nan 0.000 0.458 109 E N 1.166 121.391 120.200 0.042 0.000 2.194 109 E HA 0.229 4.580 4.350 0.001 0.000 0.284 109 E C 0.509 177.115 176.600 0.009 0.000 1.035 109 E CA -0.307 56.105 56.400 0.020 0.000 0.836 109 E CB 0.937 30.651 29.700 0.023 0.000 1.070 109 E HN 0.341 nan 8.360 nan 0.000 0.401 110 R N 3.230 123.727 120.500 -0.004 0.000 2.113 110 R HA -0.253 4.088 4.340 0.001 0.000 0.244 110 R C 1.271 177.569 176.300 -0.003 0.000 1.142 110 R CA 2.063 58.158 56.100 -0.008 0.000 0.953 110 R CB -0.021 30.270 30.300 -0.016 0.000 0.860 110 R HN 0.503 nan 8.270 nan 0.000 0.438 111 E N -0.145 120.054 120.200 -0.001 0.000 2.058 111 E HA -0.169 4.181 4.350 0.001 0.000 0.194 111 E C 1.935 178.539 176.600 0.005 0.000 0.997 111 E CA 1.975 58.376 56.400 0.002 0.000 0.801 111 E CB -0.184 29.517 29.700 0.002 0.000 0.746 111 E HN 0.452 nan 8.360 nan 0.000 0.450 112 I N -0.291 120.285 120.570 0.010 0.000 2.277 112 I HA -0.178 3.992 4.170 0.001 0.000 0.243 112 I C 2.086 178.211 176.117 0.012 0.000 1.094 112 I CA 0.512 61.821 61.300 0.015 0.000 1.393 112 I CB -0.220 37.795 38.000 0.025 0.000 1.078 112 I HN -0.016 nan 8.210 nan 0.000 0.417 113 V N 0.981 120.902 119.914 0.011 0.000 2.343 113 V HA -0.282 3.838 4.120 0.001 0.000 0.247 113 V C 1.897 177.992 176.094 0.001 0.000 1.051 113 V CA 1.965 64.268 62.300 0.005 0.000 1.036 113 V CB -0.680 31.143 31.823 -0.000 0.000 0.654 113 V HN 0.378 nan 8.190 nan 0.000 0.451 114 D N -0.288 120.112 120.400 -0.000 0.000 2.269 114 D HA -0.023 4.617 4.640 0.001 0.000 0.208 114 D C 1.658 177.958 176.300 0.001 0.000 0.963 114 D CA 0.908 54.907 54.000 -0.001 0.000 0.864 114 D CB 0.021 40.820 40.800 -0.002 0.000 0.936 114 D HN 0.357 nan 8.370 nan 0.000 0.505 115 L N -0.075 121.149 121.223 0.002 0.000 2.667 115 L HA 0.141 4.481 4.340 0.001 0.000 0.232 115 L C 0.010 176.882 176.870 0.004 0.000 1.138 115 L CA 0.030 54.872 54.840 0.003 0.000 0.921 115 L CB -0.002 42.059 42.059 0.004 0.000 1.180 115 L HN -0.125 nan 8.230 nan 0.000 0.487 116 Q N 0.277 120.079 119.800 0.004 0.000 2.435 116 Q HA -0.299 4.042 4.340 0.001 0.000 0.312 116 Q C 0.753 176.756 176.000 0.006 0.000 1.333 116 Q CA 0.452 56.258 55.803 0.004 0.000 0.883 116 Q CB -1.236 27.503 28.738 0.002 0.000 1.170 116 Q HN 0.602 nan 8.270 nan 0.000 0.443 117 Q N -0.656 119.150 119.800 0.009 0.000 2.425 117 Q HA 0.160 4.500 4.340 0.001 0.000 0.204 117 Q C 1.024 177.033 176.000 0.015 0.000 0.933 117 Q CA 0.543 56.353 55.803 0.012 0.000 0.939 117 Q CB 0.805 29.551 28.738 0.014 0.000 1.044 117 Q HN 0.642 nan 8.270 nan 0.000 0.513 118 G N 2.257 111.066 108.800 0.016 0.000 2.526 118 G HA2 -0.162 3.798 3.960 0.001 0.000 0.225 118 G HA3 -0.162 3.798 3.960 0.001 0.000 0.225 118 G C -0.663 174.257 174.900 0.033 0.000 1.120 118 G CA -0.251 44.860 45.100 0.018 0.000 0.904 118 G HN 0.200 nan 8.290 nan 0.000 0.498 119 D N -0.749 119.674 120.400 0.038 0.000 2.361 119 D HA 0.269 4.910 4.640 0.001 0.000 0.239 119 D C 0.884 177.242 176.300 0.096 0.000 1.200 119 D CA -0.226 53.817 54.000 0.072 0.000 0.915 119 D CB 0.297 41.137 40.800 0.066 0.000 1.170 119 D HN 0.305 nan 8.370 nan 0.000 0.444 120 Y N 1.911 122.221 120.300 0.015 0.000 2.881 120 Y HA -0.107 4.444 4.550 0.002 0.000 0.335 120 Y C 0.795 176.708 175.900 0.021 0.000 1.263 120 Y CA 0.720 58.832 58.100 0.019 0.000 1.572 120 Y CB -0.126 38.348 38.460 0.023 0.000 1.237 120 Y HN 0.548 nan 8.280 nan 0.000 0.568 121 E N 2.815 122.731 120.200 -0.473 0.000 2.199 121 E HA -0.376 3.974 4.350 0.001 0.000 0.208 121 E C -0.306 176.226 176.600 -0.114 0.000 1.310 121 E CA 0.902 57.096 56.400 -0.344 0.000 0.709 121 E CB -0.816 28.604 29.700 -0.467 0.000 1.127 121 E HN 0.729 nan 8.360 nan 0.000 0.354 122 E N 0.974 121.134 120.200 -0.066 0.000 2.299 122 E HA 0.300 4.651 4.350 0.001 0.000 0.272 122 E C -0.159 176.423 176.600 -0.029 0.000 1.043 122 E CA 0.246 56.632 56.400 -0.024 0.000 0.895 122 E CB 0.592 30.288 29.700 -0.008 0.000 1.011 122 E HN 0.295 nan 8.360 nan 0.000 0.432 123 M N 4.202 123.781 119.600 -0.035 0.000 2.449 123 M HA 0.110 4.591 4.480 0.001 0.000 0.291 123 M C -1.933 174.322 176.300 -0.076 0.000 1.148 123 M CA -0.763 54.510 55.300 -0.046 0.000 0.925 123 M CB 1.939 34.513 32.600 -0.043 0.000 1.767 123 M HN 0.375 nan 8.290 nan 0.000 0.503 124 D N 3.079 123.443 120.400 -0.061 0.000 2.508 124 D HA 0.161 4.801 4.640 0.001 0.000 0.224 124 D C 0.637 176.858 176.300 -0.132 0.000 1.171 124 D CA 0.473 54.432 54.000 -0.068 0.000 1.006 124 D CB 0.612 41.394 40.800 -0.029 0.000 1.073 124 D HN 0.641 nan 8.370 nan 0.000 0.513 125 Q N 2.057 121.686 119.800 -0.285 0.000 2.167 125 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 125 Q C 1.938 177.704 176.000 -0.390 0.000 0.970 125 Q CA 0.909 56.257 55.803 -0.758 0.000 0.855 125 Q CB 0.092 28.058 28.738 -1.286 0.000 0.911 125 Q HN 0.567 nan 8.270 nan 0.000 0.438 126 M N 0.880 120.483 119.600 0.006 0.000 2.080 126 M HA -0.239 4.241 4.480 0.001 0.000 0.260 126 M C 2.014 178.369 176.300 0.091 0.000 1.068 126 M CA 1.586 57.001 55.300 0.191 0.000 1.109 126 M CB -0.184 32.485 32.600 0.114 0.000 1.342 126 M HN 0.249 nan 8.290 nan 0.000 0.405 127 N N -0.357 118.359 118.700 0.027 0.000 2.142 127 N HA -0.131 4.610 4.740 0.001 0.000 0.186 127 N C 1.476 177.006 175.510 0.033 0.000 1.023 127 N CA 1.511 54.574 53.050 0.021 0.000 0.852 127 N CB 0.055 38.546 38.487 0.007 0.000 0.998 127 N HN 0.263 nan 8.380 nan 0.000 0.424 128 V N 1.633 121.576 119.914 0.048 0.000 2.490 128 V HA -0.146 3.974 4.120 0.001 0.000 0.250 128 V C 2.501 178.715 176.094 0.200 0.000 1.061 128 V CA 1.672 64.047 62.300 0.125 0.000 1.064 128 V CB -0.796 31.143 31.823 0.194 0.000 0.670 128 V HN 0.415 nan 8.190 nan 0.000 0.461 129 A N -0.284 122.661 122.820 0.209 0.000 2.067 129 A HA -0.150 4.171 4.320 0.001 0.000 0.219 129 A C 2.336 179.980 177.584 0.099 0.000 1.158 129 A CA 1.050 53.218 52.037 0.218 0.000 0.661 129 A CB -0.425 18.654 19.000 0.131 0.000 0.801 129 A HN 0.493 nan 8.150 nan 0.000 0.452 130 R N -0.261 120.251 120.500 0.020 0.000 2.091 130 R HA -0.134 4.206 4.340 0.001 0.000 0.238 130 R C -0.732 175.494 176.300 -0.122 0.000 1.136 130 R CA 1.765 57.840 56.100 -0.041 0.000 0.959 130 R CB -1.575 28.700 30.300 -0.042 0.000 0.856 130 R HN 0.430 nan 8.270 nan 0.000 0.437 131 P HA -0.085 nan 4.420 nan 0.000 0.226 131 P C 0.332 177.426 177.300 -0.343 0.000 1.153 131 P CA 1.210 64.091 63.100 -0.367 0.000 0.777 131 P CB 0.054 31.426 31.700 -0.547 0.000 0.794 132 H N -1.912 117.175 119.070 0.028 0.000 2.594 132 H HA 0.270 4.826 4.556 0.001 0.000 0.279 132 H C 0.756 176.087 175.328 0.005 0.000 1.042 132 H CA -0.124 55.942 56.048 0.030 0.000 1.177 132 H CB -0.181 29.592 29.762 0.018 0.000 1.524 132 H HN 0.257 nan 8.280 nan 0.000 0.537 133 C N -1.596 117.742 119.300 0.062 0.000 3.318 133 C HA 0.402 4.862 4.460 0.001 0.000 0.322 133 C C 1.464 176.447 174.990 -0.011 0.000 1.398 133 C CA -1.062 57.979 59.018 0.038 0.000 1.339 133 C CB 2.518 30.307 27.740 0.081 0.000 1.668 133 C HN 0.087 nan 8.230 nan 0.000 0.462 134 K N 0.802 121.192 120.400 -0.016 0.000 2.097 134 K HA 0.316 4.636 4.320 0.001 0.000 0.205 134 K C 0.760 177.316 176.600 -0.074 0.000 1.050 134 K CA 1.871 58.139 56.287 -0.031 0.000 0.938 134 K CB -0.002 32.495 32.500 -0.005 0.000 0.718 134 K HN 0.946 nan 8.250 nan 0.000 0.442 135 A N 0.406 123.147 122.820 -0.131 0.000 2.547 135 A HA 0.425 4.745 4.320 0.001 0.000 0.297 135 A C -1.343 175.983 177.584 -0.429 0.000 1.056 135 A CA -0.625 51.196 52.037 -0.359 0.000 0.688 135 A CB 2.029 20.711 19.000 -0.530 0.000 1.282 135 A HN -0.057 nan 8.150 nan 0.000 0.400 136 S N 1.253 116.662 115.700 -0.484 0.000 2.596 136 S HA 0.805 5.276 4.470 0.001 0.000 0.318 136 S C -1.307 173.055 174.600 -0.396 0.000 1.097 136 S CA -0.307 57.749 58.200 -0.240 0.000 1.080 136 S CB -0.191 63.035 63.200 0.043 0.000 0.991 136 S HN 0.470 nan 8.310 nan 0.000 0.471 137 F N 2.678 122.630 119.950 0.004 0.000 2.575 137 F HA 0.668 5.195 4.527 0.001 0.000 0.330 137 F C 0.535 176.259 175.800 -0.127 0.000 1.056 137 F CA -1.058 56.912 58.000 -0.050 0.000 0.964 137 F CB 1.484 40.451 39.000 -0.056 0.000 1.258 137 F HN 0.466 nan 8.300 nan 0.000 0.484 138 R N 1.722 122.295 120.500 0.121 0.000 2.575 138 R HA 0.665 5.005 4.340 0.001 0.000 0.293 138 R C -1.794 174.490 176.300 -0.027 0.000 0.983 138 R CA -0.534 55.559 56.100 -0.013 0.000 0.887 138 R CB 1.348 31.636 30.300 -0.020 0.000 1.184 138 R HN 0.745 nan 8.270 nan 0.000 0.445 139 I N 4.730 125.249 120.570 -0.085 0.000 2.306 139 I HA 0.181 4.352 4.170 0.001 0.000 0.288 139 I C 0.226 176.266 176.117 -0.129 0.000 1.036 139 I CA -0.436 60.803 61.300 -0.102 0.000 1.221 139 I CB 1.592 39.520 38.000 -0.120 0.000 1.385 139 I HN 0.733 nan 8.210 nan 0.000 0.472 140 N N 2.371 121.012 118.700 -0.099 0.000 2.336 140 N HA -0.034 4.706 4.740 0.001 0.000 0.177 140 N C 0.532 175.975 175.510 -0.111 0.000 1.018 140 N CA 0.337 53.325 53.050 -0.103 0.000 0.878 140 N CB 0.350 38.797 38.487 -0.067 0.000 0.997 140 N HN 0.503 nan 8.380 nan 0.000 0.433 141 S N -0.414 115.232 115.700 -0.091 0.000 2.501 141 S HA 0.320 4.790 4.470 0.001 0.000 0.301 141 S C 0.958 175.511 174.600 -0.079 0.000 1.096 141 S CA -0.781 57.372 58.200 -0.078 0.000 1.063 141 S CB 0.838 64.007 63.200 -0.051 0.000 1.042 141 S HN 0.250 nan 8.310 nan 0.000 0.494 142 I N 4.306 124.833 120.570 -0.073 0.000 2.248 142 I HA -0.194 3.976 4.170 0.001 0.000 0.248 142 I C 1.944 178.048 176.117 -0.022 0.000 1.107 142 I CA 1.605 62.874 61.300 -0.052 0.000 1.373 142 I CB -0.085 37.896 38.000 -0.031 0.000 1.055 142 I HN 0.753 nan 8.210 nan 0.000 0.418 143 K N 0.120 120.511 120.400 -0.016 0.000 2.283 143 K HA -0.142 4.179 4.320 0.001 0.000 0.202 143 K C 0.905 177.507 176.600 0.004 0.000 1.048 143 K CA 1.194 57.481 56.287 -0.000 0.000 0.948 143 K CB -0.078 32.420 32.500 -0.003 0.000 0.742 143 K HN 0.412 nan 8.250 nan 0.000 0.458 144 D N 0.446 120.837 120.400 -0.015 0.000 2.340 144 D HA 0.084 4.725 4.640 0.001 0.000 0.217 144 D C 1.481 177.769 176.300 -0.020 0.000 1.081 144 D CA 0.186 54.176 54.000 -0.016 0.000 0.842 144 D CB 0.171 40.947 40.800 -0.039 0.000 0.934 144 D HN 0.155 nan 8.370 nan 0.000 0.511 145 I N 1.546 122.106 120.570 -0.017 0.000 2.127 145 I HA -0.199 3.972 4.170 0.001 0.000 0.241 145 I C -0.577 175.533 176.117 -0.011 0.000 1.075 145 I CA 1.294 62.579 61.300 -0.024 0.000 1.334 145 I CB -1.206 36.787 38.000 -0.013 0.000 1.040 145 I HN -0.013 nan 8.210 nan 0.000 0.405 146 P HA -0.168 nan 4.420 nan 0.000 0.215 146 P C 1.860 179.195 177.300 0.060 0.000 1.153 146 P CA 1.403 64.513 63.100 0.016 0.000 0.853 146 P CB -0.000 31.789 31.700 0.148 0.000 0.788 147 I N -0.551 120.133 120.570 0.190 0.000 2.226 147 I HA -0.128 4.042 4.170 0.001 0.000 0.245 147 I C 2.409 178.514 176.117 -0.021 0.000 1.100 147 I CA 2.041 63.448 61.300 0.177 0.000 1.374 147 I CB -1.971 36.084 38.000 0.091 0.000 1.057 147 I HN 0.022 nan 8.210 nan 0.000 0.413 148 G N 1.576 110.326 108.800 -0.085 0.000 2.446 148 G HA2 -0.228 3.732 3.960 0.001 0.000 0.217 148 G HA3 -0.228 3.732 3.960 0.001 0.000 0.217 148 G C 1.587 176.389 174.900 -0.163 0.000 1.168 148 G CA 0.443 45.434 45.100 -0.182 0.000 0.771 148 G HN 0.208 nan 8.290 nan 0.000 0.551 149 I N 1.881 122.391 120.570 -0.101 0.000 2.315 149 I HA -0.077 4.093 4.170 0.001 0.000 0.248 149 I C 3.248 179.311 176.117 -0.090 0.000 1.117 149 I CA 0.994 62.246 61.300 -0.080 0.000 1.404 149 I CB -1.394 36.563 38.000 -0.072 0.000 1.071 149 I HN 0.261 nan 8.210 nan 0.000 0.419 150 A N 1.152 123.899 122.820 -0.122 0.000 1.883 150 A HA -0.210 4.110 4.320 0.001 0.000 0.217 150 A C 2.475 180.039 177.584 -0.033 0.000 1.186 150 A CA 1.344 53.329 52.037 -0.085 0.000 0.624 150 A CB -0.545 18.454 19.000 -0.002 0.000 0.822 150 A HN 0.306 nan 8.150 nan 0.000 0.444 151 R N -0.598 119.841 120.500 -0.102 0.000 2.083 151 R HA -0.145 4.196 4.340 0.001 0.000 0.237 151 R C 2.505 178.792 176.300 -0.021 0.000 1.137 151 R CA 1.379 57.376 56.100 -0.173 0.000 0.951 151 R CB -0.648 29.289 30.300 -0.604 0.000 0.851 151 R HN 0.538 nan 8.270 nan 0.000 0.434 152 A N 0.759 123.577 122.820 -0.004 0.000 1.877 152 A HA -0.107 4.213 4.320 0.001 0.000 0.216 152 A C 2.452 180.112 177.584 0.126 0.000 1.186 152 A CA 1.443 53.580 52.037 0.166 0.000 0.620 152 A CB -0.574 18.503 19.000 0.129 0.000 0.822 152 A HN 0.111 nan 8.150 nan 0.000 0.443 153 V N -0.024 119.929 119.914 0.065 0.000 2.307 153 V HA -0.256 3.864 4.120 0.001 0.000 0.245 153 V C 2.655 178.795 176.094 0.077 0.000 1.045 153 V CA 2.208 64.546 62.300 0.063 0.000 1.024 153 V CB -0.824 31.016 31.823 0.028 0.000 0.651 153 V HN 0.508 nan 8.190 nan 0.000 0.449 154 R N -0.229 120.312 120.500 0.070 0.000 2.083 154 R HA -0.162 4.178 4.340 0.001 0.000 0.237 154 R C 2.412 178.771 176.300 0.099 0.000 1.137 154 R CA 2.060 58.208 56.100 0.079 0.000 0.951 154 R CB -0.806 29.538 30.300 0.073 0.000 0.851 154 R HN 0.514 nan 8.270 nan 0.000 0.434 155 T N 0.813 115.446 114.554 0.131 0.000 2.746 155 T HA -0.149 4.201 4.350 0.001 0.000 0.267 155 T C 1.907 176.673 174.700 0.111 0.000 1.039 155 T CA 1.430 63.617 62.100 0.145 0.000 1.142 155 T CB -0.228 68.781 68.868 0.235 0.000 0.866 155 T HN 0.392 nan 8.240 nan 0.000 0.444 156 A N 1.174 124.064 122.820 0.116 0.000 1.933 156 A HA -0.017 4.303 4.320 0.001 0.000 0.218 156 A C 2.562 180.202 177.584 0.094 0.000 1.175 156 A CA 1.806 53.903 52.037 0.100 0.000 0.628 156 A CB -0.660 18.406 19.000 0.111 0.000 0.814 156 A HN 0.522 nan 8.150 nan 0.000 0.444 157 V N -2.325 117.651 119.914 0.103 0.000 3.565 157 V HA 0.180 4.300 4.120 0.001 0.000 0.260 157 V C 1.049 177.210 176.094 0.111 0.000 1.231 157 V CA 0.735 63.109 62.300 0.123 0.000 1.100 157 V CB -0.810 31.087 31.823 0.123 0.000 0.807 157 V HN 0.562 nan 8.190 nan 0.000 0.454 158 S N 0.148 115.900 115.700 0.087 0.000 2.707 158 S HA 0.727 5.197 4.470 0.001 0.000 0.276 158 S C 1.015 175.651 174.600 0.060 0.000 1.179 158 S CA 0.316 58.560 58.200 0.074 0.000 0.992 158 S CB 0.806 64.046 63.200 0.067 0.000 1.030 158 S HN 1.853 nan 8.310 nan 0.000 0.554 159 G N 1.416 110.247 108.800 0.051 0.000 2.602 159 G HA2 -0.350 3.610 3.960 0.001 0.000 0.306 159 G HA3 -0.350 3.610 3.960 0.001 0.000 0.306 159 G C -0.051 174.867 174.900 0.029 0.000 1.301 159 G CA 0.487 45.608 45.100 0.036 0.000 0.974 159 G HN 1.138 nan 8.290 nan 0.000 0.547 160 R N 1.740 122.244 120.500 0.007 0.000 2.351 160 R HA 0.387 4.727 4.340 0.001 0.000 0.318 160 R C -2.157 174.125 176.300 -0.029 0.000 1.055 160 R CA -0.918 55.170 56.100 -0.020 0.000 0.968 160 R CB 0.283 30.559 30.300 -0.039 0.000 0.974 160 R HN 0.278 nan 8.270 nan 0.000 0.439 161 P HA 0.201 nan 4.420 nan 0.000 0.269 161 P C -0.459 176.802 177.300 -0.066 0.000 1.215 161 P CA -0.091 62.979 63.100 -0.050 0.000 0.780 161 P CB 1.233 32.850 31.700 -0.138 0.000 0.898 162 G N -0.244 108.545 108.800 -0.018 0.000 2.427 162 G HA2 0.527 4.487 3.960 0.001 0.000 0.306 162 G HA3 0.527 4.487 3.960 0.001 0.000 0.306 162 G C -0.930 173.984 174.900 0.024 0.000 1.280 162 G CA -0.278 44.806 45.100 -0.027 0.000 0.837 162 G HN 0.593 nan 8.290 nan 0.000 0.482 163 G N -1.340 107.470 108.800 0.017 0.000 2.467 163 G HA2 0.577 4.537 3.960 0.001 0.000 0.257 163 G HA3 0.577 4.537 3.960 0.001 0.000 0.257 163 G C -0.746 174.200 174.900 0.076 0.000 1.227 163 G CA -0.103 45.034 45.100 0.061 0.000 0.835 163 G HN 1.084 nan 8.290 nan 0.000 0.556 164 V N 1.918 121.902 119.914 0.116 0.000 2.709 164 V HA 0.318 4.439 4.120 0.001 0.000 0.308 164 V C -1.185 175.032 176.094 0.206 0.000 1.062 164 V CA -0.939 61.438 62.300 0.129 0.000 0.901 164 V CB 1.738 33.658 31.823 0.162 0.000 1.003 164 V HN 0.727 nan 8.190 nan 0.000 0.425 165 Y N 4.373 124.713 120.300 0.067 0.000 2.330 165 Y HA 0.719 5.269 4.550 0.001 0.000 0.336 165 Y C -0.505 175.477 175.900 0.137 0.000 1.036 165 Y CA -0.985 57.188 58.100 0.123 0.000 1.125 165 Y CB 1.756 40.315 38.460 0.166 0.000 1.194 165 Y HN 0.367 nan 8.280 nan 0.000 0.469 166 V N 6.565 126.170 119.914 -0.516 0.000 2.376 166 V HA 0.171 4.291 4.120 0.001 0.000 0.287 166 V C -0.856 174.739 176.094 -0.831 0.000 1.015 166 V CA -1.009 61.004 62.300 -0.478 0.000 0.834 166 V CB 1.369 33.120 31.823 -0.119 0.000 1.001 166 V HN 0.781 nan 8.190 nan 0.000 0.428 167 D N 4.434 124.356 120.400 -0.797 0.000 2.312 167 D HA 0.465 5.105 4.640 0.001 0.000 0.252 167 D C -0.474 175.698 176.300 -0.215 0.000 1.150 167 D CA -0.031 53.684 54.000 -0.474 0.000 0.870 167 D CB 0.878 41.550 40.800 -0.214 0.000 1.153 167 D HN 0.467 nan 8.370 nan 0.000 0.457 168 L N 6.626 127.777 121.223 -0.120 0.000 2.356 168 L HA 0.391 4.731 4.340 0.001 0.000 0.264 168 L C -2.098 174.672 176.870 -0.166 0.000 1.029 168 L CA -1.984 52.756 54.840 -0.166 0.000 0.897 168 L CB 1.247 43.277 42.059 -0.047 0.000 1.256 168 L HN 0.303 nan 8.230 nan 0.000 0.444 169 P HA -0.017 nan 4.420 nan 0.000 0.266 169 P C 0.702 177.883 177.300 -0.199 0.000 1.195 169 P CA 0.001 63.020 63.100 -0.135 0.000 0.768 169 P CB 1.338 32.962 31.700 -0.126 0.000 0.838 170 A N 4.265 127.077 122.820 -0.014 0.000 1.948 170 A HA -0.230 4.091 4.320 0.001 0.000 0.220 170 A C 1.948 179.518 177.584 -0.024 0.000 1.177 170 A CA 1.609 53.705 52.037 0.097 0.000 0.636 170 A CB -1.032 18.043 19.000 0.124 0.000 0.815 170 A HN 0.534 nan 8.150 nan 0.000 0.449 171 K N -0.980 119.364 120.400 -0.094 0.000 2.442 171 K HA -0.033 4.287 4.320 0.001 0.000 0.198 171 K C 1.687 178.162 176.600 -0.208 0.000 1.042 171 K CA 0.723 56.946 56.287 -0.107 0.000 0.958 171 K CB -0.248 32.207 32.500 -0.074 0.000 0.766 171 K HN 0.444 nan 8.250 nan 0.000 0.474 172 L N 0.372 121.354 121.223 -0.402 0.000 2.017 172 L HA -0.135 4.205 4.340 0.001 0.000 0.208 172 L C 1.688 178.251 176.870 -0.511 0.000 1.073 172 L CA 1.774 56.302 54.840 -0.519 0.000 0.745 172 L CB -0.427 41.169 42.059 -0.771 0.000 0.894 172 L HN -0.001 nan 8.230 nan 0.000 0.432 173 F N -0.308 119.414 119.950 -0.380 0.000 2.234 173 F HA 0.056 4.583 4.527 0.000 0.000 0.299 173 F C 2.415 177.912 175.800 -0.505 0.000 1.087 173 F CA 1.033 58.576 58.000 -0.761 0.000 1.340 173 F CB -1.357 36.693 39.000 -1.584 0.000 1.031 173 F HN 0.173 nan 8.300 nan 0.000 0.500 174 G N -0.844 107.900 108.800 -0.093 0.000 2.880 174 G HA2 0.013 3.973 3.960 0.001 0.000 0.209 174 G HA3 0.013 3.973 3.960 0.001 0.000 0.209 174 G C 0.566 175.479 174.900 0.022 0.000 1.157 174 G CA -0.242 44.879 45.100 0.034 0.000 0.779 174 G HN 0.241 nan 8.290 nan 0.000 0.539 175 Q N 0.793 120.575 119.800 -0.030 0.000 2.421 175 Q HA 0.395 4.735 4.340 0.001 0.000 0.255 175 Q C 0.198 176.211 176.000 0.022 0.000 1.013 175 Q CA 0.365 56.158 55.803 -0.016 0.000 0.895 175 Q CB 0.755 29.462 28.738 -0.051 0.000 1.271 175 Q HN 0.316 nan 8.270 nan 0.000 0.460 176 T N -0.983 113.588 114.554 0.028 0.000 2.916 176 T HA 0.833 5.184 4.350 0.001 0.000 0.292 176 T C -0.564 174.156 174.700 0.033 0.000 1.055 176 T CA -0.835 61.293 62.100 0.046 0.000 1.009 176 T CB 1.364 70.262 68.868 0.050 0.000 1.118 176 T HN 0.604 nan 8.240 nan 0.000 0.497 177 I N 0.949 121.543 120.570 0.040 0.000 2.908 177 I HA 0.456 4.626 4.170 0.001 0.000 0.300 177 I C -0.437 175.699 176.117 0.031 0.000 1.385 177 I CA -0.815 60.503 61.300 0.031 0.000 1.004 177 I CB 2.345 40.364 38.000 0.031 0.000 1.309 177 I HN 1.064 nan 8.210 nan 0.000 0.449 178 S N 3.953 119.667 115.700 0.023 0.000 2.572 178 S HA 0.155 4.626 4.470 0.001 0.000 0.279 178 S C 0.998 175.612 174.600 0.022 0.000 1.341 178 S CA -0.629 57.583 58.200 0.020 0.000 1.043 178 S CB 1.577 64.785 63.200 0.015 0.000 0.887 178 S HN 0.471 nan 8.310 nan 0.000 0.516 179 V N 2.208 122.132 119.914 0.017 0.000 2.392 179 V HA -0.194 3.926 4.120 0.001 0.000 0.249 179 V C 2.735 178.840 176.094 0.019 0.000 1.059 179 V CA 2.380 64.690 62.300 0.016 0.000 1.051 179 V CB -1.213 30.612 31.823 0.003 0.000 0.658 179 V HN 1.070 nan 8.190 nan 0.000 0.455 180 E N 0.163 120.372 120.200 0.015 0.000 2.058 180 E HA -0.309 4.042 4.350 0.001 0.000 0.194 180 E C 2.281 178.893 176.600 0.020 0.000 0.997 180 E CA 1.848 58.257 56.400 0.015 0.000 0.801 180 E CB -0.143 29.563 29.700 0.011 0.000 0.746 180 E HN 0.727 nan 8.360 nan 0.000 0.450 181 E N -0.389 119.823 120.200 0.020 0.000 2.106 181 E HA -0.172 4.178 4.350 0.001 0.000 0.192 181 E C 1.878 178.497 176.600 0.031 0.000 0.984 181 E CA 0.906 57.319 56.400 0.022 0.000 0.806 181 E CB -0.121 29.590 29.700 0.018 0.000 0.750 181 E HN 0.349 nan 8.360 nan 0.000 0.458 182 A N 1.105 123.947 122.820 0.036 0.000 1.902 182 A HA -0.207 4.114 4.320 0.001 0.000 0.217 182 A C 1.816 179.433 177.584 0.055 0.000 1.181 182 A CA 1.738 53.804 52.037 0.049 0.000 0.623 182 A CB -0.768 18.265 19.000 0.054 0.000 0.818 182 A HN 0.360 nan 8.150 nan 0.000 0.443 183 N N -0.890 117.837 118.700 0.046 0.000 2.381 183 N HA -0.122 4.619 4.740 0.001 0.000 0.182 183 N C 1.744 177.286 175.510 0.054 0.000 1.025 183 N CA 1.074 54.153 53.050 0.048 0.000 0.888 183 N CB -0.092 38.416 38.487 0.035 0.000 0.965 183 N HN 0.485 nan 8.380 nan 0.000 0.438 184 K N 0.688 121.115 120.400 0.046 0.000 2.103 184 K HA 0.037 4.358 4.320 0.001 0.000 0.204 184 K C 1.667 178.303 176.600 0.060 0.000 1.052 184 K CA 0.643 56.955 56.287 0.042 0.000 0.945 184 K CB 0.179 32.694 32.500 0.025 0.000 0.722 184 K HN 0.135 nan 8.250 nan 0.000 0.443 185 L N 0.726 121.994 121.223 0.075 0.000 2.209 185 L HA 0.037 4.378 4.340 0.001 0.000 0.207 185 L C 0.527 177.527 176.870 0.217 0.000 1.094 185 L CA 0.028 54.934 54.840 0.110 0.000 0.790 185 L CB -0.006 42.104 42.059 0.085 0.000 0.932 185 L HN 0.077 nan 8.230 nan 0.000 0.447 186 L N 1.267 122.590 121.223 0.167 0.000 2.455 186 L HA 0.100 4.440 4.340 0.001 0.000 0.272 186 L C -0.470 176.548 176.870 0.247 0.000 1.174 186 L CA 0.186 55.121 54.840 0.157 0.000 0.869 186 L CB 0.164 42.273 42.059 0.083 0.000 1.130 186 L HN 0.004 nan 8.230 nan 0.000 0.474 187 F N 1.260 121.220 119.950 0.017 0.000 2.668 187 F HA 0.546 5.073 4.527 0.000 0.000 0.309 187 F C -1.024 174.787 175.800 0.018 0.000 1.117 187 F CA -1.454 56.555 58.000 0.014 0.000 0.951 187 F CB 1.445 40.449 39.000 0.007 0.000 1.323 187 F HN 0.188 nan 8.300 nan 0.000 0.451 188 K N 2.961 123.365 120.400 0.007 0.000 2.265 188 K HA 0.537 4.858 4.320 0.001 0.000 0.267 188 K C -2.772 173.874 176.600 0.076 0.000 0.994 188 K CA -1.904 54.333 56.287 -0.082 0.000 0.860 188 K CB 1.235 33.734 32.500 -0.002 0.000 1.099 188 K HN 0.406 nan 8.250 nan 0.000 0.448 189 P HA -0.032 nan 4.420 nan 0.000 0.264 189 P C -0.602 176.766 177.300 0.114 0.000 1.183 189 P CA 0.287 63.484 63.100 0.160 0.000 0.763 189 P CB 0.374 32.116 31.700 0.070 0.000 0.807 190 I N 2.703 123.349 120.570 0.126 0.000 2.371 190 I HA 0.051 4.222 4.170 0.001 0.000 0.290 190 I C 0.664 176.818 176.117 0.061 0.000 1.028 190 I CA 0.021 61.369 61.300 0.079 0.000 1.345 190 I CB 0.061 38.102 38.000 0.068 0.000 1.407 190 I HN 0.430 nan 8.210 nan 0.000 0.501 191 D N 7.062 127.490 120.400 0.046 0.000 2.737 191 D HA -0.127 4.513 4.640 0.001 0.000 0.238 191 D C -1.395 174.932 176.300 0.044 0.000 1.157 191 D CA 0.107 54.130 54.000 0.038 0.000 0.694 191 D CB 0.073 40.893 40.800 0.033 0.000 1.021 191 D HN 0.377 nan 8.370 nan 0.000 0.420 192 P HA -0.012 nan 4.420 nan 0.000 0.222 192 P C 0.244 177.578 177.300 0.056 0.000 1.147 192 P CA 1.114 64.246 63.100 0.053 0.000 0.790 192 P CB 0.364 32.093 31.700 0.049 0.000 0.780 193 A N 1.175 124.025 122.820 0.051 0.000 3.105 193 A HA 0.491 4.812 4.320 0.001 0.000 0.336 193 A C -2.338 175.272 177.584 0.044 0.000 1.042 193 A CA -1.348 50.723 52.037 0.057 0.000 0.851 193 A CB 0.050 19.089 19.000 0.066 0.000 1.068 193 A HN 0.049 nan 8.150 nan 0.000 0.477 194 P HA 0.381 nan 4.420 nan 0.000 0.274 194 P C 0.229 177.547 177.300 0.030 0.000 1.231 194 P CA 0.006 63.125 63.100 0.032 0.000 0.790 194 P CB 1.073 32.792 31.700 0.032 0.000 0.951 195 A N 3.004 125.838 122.820 0.022 0.000 2.498 195 A HA 0.165 4.485 4.320 0.001 0.000 0.239 195 A C 0.223 177.820 177.584 0.021 0.000 1.068 195 A CA 0.133 52.182 52.037 0.019 0.000 0.766 195 A CB -0.220 18.787 19.000 0.012 0.000 1.003 195 A HN 0.512 nan 8.150 nan 0.000 0.497 196 Q N 1.597 121.410 119.800 0.021 0.000 2.303 196 Q HA 0.427 4.768 4.340 0.001 0.000 0.267 196 Q C -1.249 174.761 176.000 0.016 0.000 1.011 196 Q CA 0.032 55.846 55.803 0.020 0.000 0.740 196 Q CB 1.714 30.466 28.738 0.023 0.000 1.250 196 Q HN 0.707 nan 8.270 nan 0.000 0.458 197 I N 4.760 125.338 120.570 0.013 0.000 2.336 197 I HA 0.335 4.506 4.170 0.001 0.000 0.292 197 I C -1.749 174.374 176.117 0.010 0.000 0.991 197 I CA -1.816 59.491 61.300 0.011 0.000 1.227 197 I CB 1.391 39.396 38.000 0.009 0.000 1.366 197 I HN 0.264 nan 8.210 nan 0.000 0.466 198 P HA 0.260 nan 4.420 nan 0.000 0.276 198 P C -0.573 176.731 177.300 0.007 0.000 1.244 198 P CA -0.461 62.644 63.100 0.009 0.000 0.801 198 P CB 0.830 32.536 31.700 0.010 0.000 1.006 199 A N 1.844 124.668 122.820 0.007 0.000 2.425 199 A HA 0.047 4.367 4.320 0.001 0.000 0.242 199 A C 1.512 179.099 177.584 0.005 0.000 1.077 199 A CA -0.167 51.873 52.037 0.006 0.000 0.781 199 A CB -0.121 18.882 19.000 0.005 0.000 1.020 199 A HN 0.598 nan 8.150 nan 0.000 0.494 200 E N 1.012 121.214 120.200 0.005 0.000 2.118 200 E HA -0.213 4.138 4.350 0.001 0.000 0.195 200 E C 1.403 178.006 176.600 0.004 0.000 0.992 200 E CA 1.648 58.051 56.400 0.004 0.000 0.804 200 E CB -0.225 29.477 29.700 0.004 0.000 0.741 200 E HN 0.895 nan 8.360 nan 0.000 0.458 201 D N 0.664 121.066 120.400 0.004 0.000 2.183 201 D HA -0.079 4.562 4.640 0.001 0.000 0.203 201 D C 1.832 178.135 176.300 0.004 0.000 0.969 201 D CA 1.226 55.228 54.000 0.003 0.000 0.842 201 D CB -0.299 40.502 40.800 0.003 0.000 0.957 201 D HN 0.066 nan 8.370 nan 0.000 0.484 202 A N 1.309 124.132 122.820 0.005 0.000 1.902 202 A HA -0.103 4.217 4.320 0.001 0.000 0.217 202 A C 2.423 180.011 177.584 0.008 0.000 1.181 202 A CA 1.186 53.227 52.037 0.006 0.000 0.623 202 A CB -0.562 18.442 19.000 0.007 0.000 0.818 202 A HN 0.222 nan 8.150 nan 0.000 0.443 203 I N -0.115 120.459 120.570 0.008 0.000 2.252 203 I HA -0.219 3.951 4.170 0.001 0.000 0.245 203 I C 2.952 179.073 176.117 0.007 0.000 1.102 203 I CA 1.432 62.737 61.300 0.008 0.000 1.385 203 I CB -1.574 36.431 38.000 0.007 0.000 1.064 203 I HN 0.371 nan 8.210 nan 0.000 0.414 204 A N 0.653 123.476 122.820 0.006 0.000 1.902 204 A HA -0.243 4.077 4.320 0.001 0.000 0.217 204 A C 2.531 180.117 177.584 0.004 0.000 1.181 204 A CA 1.730 53.769 52.037 0.004 0.000 0.623 204 A CB -0.692 18.310 19.000 0.003 0.000 0.818 204 A HN 0.341 nan 8.150 nan 0.000 0.443 205 R N -0.527 119.976 120.500 0.004 0.000 2.096 205 R HA -0.097 4.243 4.340 0.001 0.000 0.235 205 R C 2.286 178.589 176.300 0.005 0.000 1.127 205 R CA 1.381 57.483 56.100 0.003 0.000 0.968 205 R CB -0.350 29.952 30.300 0.004 0.000 0.861 205 R HN 0.466 nan 8.270 nan 0.000 0.440 206 A N 0.556 123.381 122.820 0.009 0.000 1.898 206 A HA -0.044 4.276 4.320 0.001 0.000 0.216 206 A C 2.332 179.922 177.584 0.010 0.000 1.181 206 A CA 1.457 53.501 52.037 0.012 0.000 0.620 206 A CB -0.743 18.268 19.000 0.017 0.000 0.819 206 A HN 0.501 nan 8.150 nan 0.000 0.442 207 A N 0.214 123.039 122.820 0.009 0.000 1.908 207 A HA -0.239 4.082 4.320 0.001 0.000 0.218 207 A C 1.828 179.414 177.584 0.004 0.000 1.181 207 A CA 2.316 54.358 52.037 0.008 0.000 0.627 207 A CB -0.815 18.189 19.000 0.007 0.000 0.818 207 A HN 0.589 nan 8.150 nan 0.000 0.445 208 D N -0.236 120.165 120.400 0.001 0.000 2.104 208 D HA -0.150 4.491 4.640 0.001 0.000 0.194 208 D C 1.830 178.125 176.300 -0.008 0.000 0.994 208 D CA 1.474 55.472 54.000 -0.003 0.000 0.830 208 D CB -0.227 40.571 40.800 -0.004 0.000 0.959 208 D HN 0.418 nan 8.370 nan 0.000 0.452 209 L N -0.021 121.197 121.223 -0.009 0.000 2.046 209 L HA -0.125 4.215 4.340 0.001 0.000 0.208 209 L C 2.601 179.460 176.870 -0.019 0.000 1.077 209 L CA 0.774 55.603 54.840 -0.018 0.000 0.747 209 L CB -0.385 41.665 42.059 -0.016 0.000 0.896 209 L HN 0.205 nan 8.230 nan 0.000 0.432 210 I N -0.282 120.285 120.570 -0.006 0.000 2.252 210 I HA -0.279 3.892 4.170 0.001 0.000 0.245 210 I C 2.455 178.571 176.117 -0.002 0.000 1.102 210 I CA 1.316 62.616 61.300 0.001 0.000 1.385 210 I CB -0.213 37.796 38.000 0.016 0.000 1.064 210 I HN 0.169 nan 8.210 nan 0.000 0.414 211 K N 0.472 120.872 120.400 -0.001 0.000 2.209 211 K HA -0.092 4.228 4.320 0.001 0.000 0.204 211 K C 1.260 177.854 176.600 -0.009 0.000 1.048 211 K CA 0.947 57.234 56.287 -0.000 0.000 0.940 211 K CB -0.099 32.402 32.500 0.001 0.000 0.729 211 K HN 0.360 nan 8.250 nan 0.000 0.451 212 N N 0.187 118.875 118.700 -0.020 0.000 2.236 212 N HA 0.071 4.812 4.740 0.001 0.000 0.196 212 N C -0.353 175.127 175.510 -0.050 0.000 1.114 212 N CA -0.007 53.025 53.050 -0.030 0.000 0.859 212 N CB 0.784 39.254 38.487 -0.029 0.000 0.982 212 N HN 0.045 nan 8.380 nan 0.000 0.493 213 A N 1.073 123.859 122.820 -0.057 0.000 2.425 213 A HA 0.174 4.495 4.320 0.001 0.000 0.249 213 A C 1.180 178.691 177.584 -0.121 0.000 1.084 213 A CA 0.048 52.026 52.037 -0.098 0.000 0.781 213 A CB 0.716 19.661 19.000 -0.092 0.000 1.019 213 A HN -0.034 nan 8.150 nan 0.000 0.490 214 K N 1.201 121.488 120.400 -0.187 0.000 2.276 214 K HA 0.086 4.407 4.320 0.001 0.000 0.198 214 K C 0.229 176.583 176.600 -0.410 0.000 1.052 214 K CA 0.890 57.052 56.287 -0.209 0.000 0.984 214 K CB 0.334 32.725 32.500 -0.183 0.000 0.836 214 K HN 0.732 nan 8.250 nan 0.000 0.490 215 R N 1.189 121.282 120.500 -0.679 0.000 2.638 215 R HA 0.201 4.542 4.340 0.001 0.000 0.261 215 R C -2.671 173.052 176.300 -0.962 0.000 1.515 215 R CA -1.162 53.970 56.100 -1.614 0.000 1.623 215 R CB 1.455 30.587 30.300 -1.947 0.000 1.347 215 R HN 0.010 nan 8.270 nan 0.000 0.705 216 P HA 0.139 nan 4.420 nan 0.000 0.277 216 P C -0.238 177.222 177.300 0.267 0.000 1.240 216 P CA -0.262 62.828 63.100 -0.017 0.000 0.798 216 P CB 1.601 33.326 31.700 0.041 0.000 0.979 217 V N -0.003 120.043 119.914 0.221 0.000 3.007 217 V HA 0.615 4.735 4.120 0.001 0.000 0.311 217 V C -0.523 175.694 176.094 0.205 0.000 1.120 217 V CA -1.119 61.340 62.300 0.265 0.000 0.980 217 V CB 2.040 34.028 31.823 0.275 0.000 1.033 217 V HN 0.310 nan 8.190 nan 0.000 0.429 218 I N 4.364 125.063 120.570 0.214 0.000 2.354 218 I HA 0.481 4.651 4.170 0.001 0.000 0.292 218 I C -0.295 175.948 176.117 0.211 0.000 0.989 218 I CA -0.516 60.900 61.300 0.193 0.000 1.188 218 I CB 1.909 40.013 38.000 0.173 0.000 1.342 218 I HN 0.469 nan 8.210 nan 0.000 0.457 219 M N 7.660 127.373 119.600 0.187 0.000 2.088 219 M HA 0.430 4.911 4.480 0.001 0.000 0.346 219 M C -0.719 175.666 176.300 0.140 0.000 1.111 219 M CA -0.397 55.007 55.300 0.173 0.000 1.017 219 M CB 1.066 33.778 32.600 0.188 0.000 1.568 219 M HN 0.373 nan 8.290 nan 0.000 0.445 220 L N 2.970 124.281 121.223 0.146 0.000 2.272 220 L HA 0.676 5.017 4.340 0.001 0.000 0.289 220 L C 0.835 177.762 176.870 0.096 0.000 1.032 220 L CA -0.573 54.333 54.840 0.110 0.000 0.810 220 L CB 1.309 43.433 42.059 0.108 0.000 1.205 220 L HN 0.762 nan 8.230 nan 0.000 0.422 221 G N 1.576 110.423 108.800 0.080 0.000 2.521 221 G HA2 0.314 4.275 3.960 0.001 0.000 0.323 221 G HA3 0.314 4.275 3.960 0.001 0.000 0.323 221 G C 0.597 175.562 174.900 0.109 0.000 1.211 221 G CA -0.572 44.571 45.100 0.071 0.000 0.979 221 G HN 0.794 nan 8.290 nan 0.000 0.490 222 K N -1.087 119.389 120.400 0.126 0.000 2.362 222 K HA 0.043 4.364 4.320 0.001 0.000 0.200 222 K C 1.984 178.773 176.600 0.314 0.000 1.046 222 K CA 1.173 57.603 56.287 0.239 0.000 0.952 222 K CB -0.121 32.507 32.500 0.214 0.000 0.753 222 K HN 0.436 nan 8.250 nan 0.000 0.466 223 G N 1.536 110.455 108.800 0.199 0.000 2.422 223 G HA2 -0.239 3.721 3.960 0.001 0.000 0.218 223 G HA3 -0.239 3.721 3.960 0.001 0.000 0.218 223 G C 1.702 176.721 174.900 0.197 0.000 1.146 223 G CA 0.763 45.981 45.100 0.196 0.000 0.769 223 G HN 0.439 nan 8.290 nan 0.000 0.547 224 A N 1.196 124.098 122.820 0.136 0.000 1.902 224 A HA 0.260 4.580 4.320 0.001 0.000 0.217 224 A C 2.817 180.450 177.584 0.081 0.000 1.181 224 A CA 2.265 54.356 52.037 0.090 0.000 0.623 224 A CB -0.783 18.253 19.000 0.061 0.000 0.818 224 A HN 0.749 nan 8.150 nan 0.000 0.443 225 A N -1.460 121.434 122.820 0.124 0.000 1.877 225 A HA -0.123 4.197 4.320 0.001 0.000 0.216 225 A C 2.147 179.729 177.584 -0.004 0.000 1.186 225 A CA 1.652 53.739 52.037 0.085 0.000 0.620 225 A CB -0.916 18.199 19.000 0.191 0.000 0.822 225 A HN 0.749 nan 8.150 nan 0.000 0.443 226 Y N 0.869 121.144 120.300 -0.042 0.000 2.207 226 Y HA -0.160 4.391 4.550 0.001 0.000 0.287 226 Y C 2.503 178.335 175.900 -0.113 0.000 1.156 226 Y CA 1.216 59.218 58.100 -0.164 0.000 1.182 226 Y CB -0.429 38.051 38.460 0.034 0.000 0.979 226 Y HN 0.306 nan 8.280 nan 0.000 0.521 227 A N -0.019 122.775 122.820 -0.043 0.000 2.070 227 A HA -0.189 4.132 4.320 0.001 0.000 0.220 227 A C 1.078 178.558 177.584 -0.174 0.000 1.159 227 A CA 1.230 53.210 52.037 -0.096 0.000 0.656 227 A CB -0.599 18.410 19.000 0.016 0.000 0.800 227 A HN 0.662 nan 8.150 nan 0.000 0.453 228 Q N -2.183 117.507 119.800 -0.183 0.000 2.452 228 Q HA -0.207 4.134 4.340 0.001 0.000 0.318 228 Q C -0.110 175.826 176.000 -0.106 0.000 1.386 228 Q CA 0.516 56.221 55.803 -0.162 0.000 0.872 228 Q CB -2.600 26.012 28.738 -0.210 0.000 1.151 228 Q HN 1.143 nan 8.270 nan 0.000 0.417 229 C N -2.654 116.599 119.300 -0.078 0.000 3.290 229 C HA 0.299 4.760 4.460 0.001 0.000 0.206 229 C C 1.131 176.086 174.990 -0.058 0.000 1.639 229 C CA -0.878 58.105 59.018 -0.059 0.000 1.408 229 C CB 0.189 27.902 27.740 -0.045 0.000 2.197 229 C HN 0.340 nan 8.230 nan 0.000 0.508 230 D N 1.655 122.017 120.400 -0.064 0.000 2.117 230 D HA -0.137 4.504 4.640 0.001 0.000 0.197 230 D C 1.304 177.562 176.300 -0.070 0.000 0.987 230 D CA 1.720 55.680 54.000 -0.067 0.000 0.829 230 D CB 0.078 40.841 40.800 -0.060 0.000 0.961 230 D HN 0.534 nan 8.370 nan 0.000 0.460 231 D N 0.812 121.179 120.400 -0.055 0.000 2.144 231 D HA -0.098 4.542 4.640 0.001 0.000 0.200 231 D C 2.009 178.279 176.300 -0.050 0.000 0.978 231 D CA 0.625 54.596 54.000 -0.048 0.000 0.833 231 D CB -0.105 40.675 40.800 -0.034 0.000 0.961 231 D HN 0.260 nan 8.370 nan 0.000 0.470 232 E N 0.367 120.539 120.200 -0.047 0.000 2.047 232 E HA -0.095 4.255 4.350 0.001 0.000 0.191 232 E C 2.454 179.021 176.600 -0.054 0.000 0.987 232 E CA 0.423 56.798 56.400 -0.041 0.000 0.799 232 E CB -0.087 29.593 29.700 -0.033 0.000 0.752 232 E HN 0.371 nan 8.360 nan 0.000 0.449 233 I N 0.652 121.180 120.570 -0.071 0.000 2.226 233 I HA -0.259 3.911 4.170 0.001 0.000 0.245 233 I C 2.817 178.845 176.117 -0.150 0.000 1.100 233 I CA 0.960 62.202 61.300 -0.097 0.000 1.374 233 I CB -0.247 37.692 38.000 -0.102 0.000 1.057 233 I HN 0.010 nan 8.210 nan 0.000 0.413 234 R N 1.262 121.665 120.500 -0.161 0.000 2.081 234 R HA -0.179 4.162 4.340 0.001 0.000 0.235 234 R C 2.375 178.604 176.300 -0.118 0.000 1.131 234 R CA 1.590 57.571 56.100 -0.198 0.000 0.960 234 R CB -0.249 29.963 30.300 -0.147 0.000 0.856 234 R HN 0.348 nan 8.270 nan 0.000 0.436 235 A N 1.119 123.899 122.820 -0.068 0.000 1.902 235 A HA -0.179 4.141 4.320 0.001 0.000 0.217 235 A C 2.045 179.611 177.584 -0.029 0.000 1.181 235 A CA 1.394 53.411 52.037 -0.033 0.000 0.623 235 A CB -0.667 18.319 19.000 -0.023 0.000 0.818 235 A HN 0.406 nan 8.150 nan 0.000 0.443 236 L N -0.006 121.192 121.223 -0.041 0.000 2.012 236 L HA -0.129 4.211 4.340 0.001 0.000 0.210 236 L C 2.393 179.249 176.870 -0.024 0.000 1.073 236 L CA 2.058 56.882 54.840 -0.026 0.000 0.748 236 L CB -0.572 41.470 42.059 -0.028 0.000 0.891 236 L HN 0.156 nan 8.230 nan 0.000 0.431 237 V N -0.205 119.666 119.914 -0.072 0.000 2.287 237 V HA -0.301 3.820 4.120 0.001 0.000 0.248 237 V C 2.528 178.626 176.094 0.007 0.000 1.053 237 V CA 2.222 64.481 62.300 -0.067 0.000 1.027 237 V CB -0.664 31.000 31.823 -0.265 0.000 0.646 237 V HN 0.519 nan 8.190 nan 0.000 0.447 238 E N -0.357 119.845 120.200 0.004 0.000 2.072 238 E HA -0.198 4.152 4.350 0.001 0.000 0.190 238 E C 2.255 178.890 176.600 0.058 0.000 0.982 238 E CA 1.168 57.610 56.400 0.069 0.000 0.803 238 E CB -0.088 29.662 29.700 0.082 0.000 0.755 238 E HN 0.676 nan 8.360 nan 0.000 0.453 239 E N -0.045 120.176 120.200 0.035 0.000 2.106 239 E HA -0.138 4.212 4.350 0.001 0.000 0.192 239 E C 2.196 178.821 176.600 0.041 0.000 0.984 239 E CA 1.679 58.099 56.400 0.033 0.000 0.806 239 E CB 0.009 29.721 29.700 0.020 0.000 0.750 239 E HN 0.294 nan 8.360 nan 0.000 0.458 240 T N -3.024 111.557 114.554 0.046 0.000 3.043 240 T HA 0.106 4.456 4.350 0.001 0.000 0.263 240 T C 1.699 176.447 174.700 0.080 0.000 1.094 240 T CA 0.536 62.670 62.100 0.057 0.000 1.127 240 T CB 0.124 69.027 68.868 0.057 0.000 0.905 240 T HN 0.276 nan 8.240 nan 0.000 0.490 241 G N 1.536 110.391 108.800 0.092 0.000 2.168 241 G HA2 -0.236 3.724 3.960 0.001 0.000 0.257 241 G HA3 -0.236 3.724 3.960 0.001 0.000 0.257 241 G C 0.045 175.034 174.900 0.149 0.000 0.997 241 G CA 0.277 45.447 45.100 0.116 0.000 0.708 241 G HN 0.693 nan 8.290 nan 0.000 0.520 242 I N 1.642 122.306 120.570 0.155 0.000 2.441 242 I HA 0.245 4.416 4.170 0.001 0.000 0.287 242 I C -1.671 174.584 176.117 0.230 0.000 1.049 242 I CA -2.246 59.174 61.300 0.199 0.000 1.381 242 I CB 1.077 39.180 38.000 0.172 0.000 1.409 242 I HN -0.120 nan 8.210 nan 0.000 0.523 243 P HA 0.055 nan 4.420 nan 0.000 0.268 243 P C -0.976 176.459 177.300 0.225 0.000 1.205 243 P CA 0.115 63.312 63.100 0.163 0.000 0.771 243 P CB 0.283 32.002 31.700 0.031 0.000 0.858 244 F N 1.793 121.768 119.950 0.041 0.000 2.593 244 F HA 0.804 5.331 4.527 0.001 0.000 0.320 244 F C -1.764 174.051 175.800 0.024 0.000 1.060 244 F CA -1.459 56.560 58.000 0.033 0.000 0.940 244 F CB 1.157 40.153 39.000 -0.006 0.000 1.268 244 F HN -0.019 nan 8.300 nan 0.000 0.475 245 L N 3.701 124.973 121.223 0.082 0.000 2.406 245 L HA 0.569 4.910 4.340 0.001 0.000 0.272 245 L C -2.660 174.290 176.870 0.132 0.000 0.980 245 L CA -1.729 53.099 54.840 -0.021 0.000 0.831 245 L CB 2.597 44.652 42.059 -0.006 0.000 1.253 245 L HN 0.474 nan 8.230 nan 0.000 0.406 246 P HA 0.333 nan 4.420 nan 0.000 0.292 246 P C -0.850 176.488 177.300 0.063 0.000 1.283 246 P CA -0.672 62.513 63.100 0.141 0.000 0.835 246 P CB 1.296 33.099 31.700 0.171 0.000 1.017 247 M N 1.625 121.258 119.600 0.055 0.000 2.157 247 M HA 0.155 4.635 4.480 0.001 0.000 0.304 247 M C 2.135 178.448 176.300 0.022 0.000 1.171 247 M CA 0.177 55.484 55.300 0.012 0.000 1.157 247 M CB -0.810 31.787 32.600 -0.005 0.000 1.403 247 M HN 0.583 nan 8.290 nan 0.000 0.473 248 G N 0.931 109.729 108.800 -0.004 0.000 2.556 248 G HA2 -0.229 3.731 3.960 0.001 0.000 0.220 248 G HA3 -0.229 3.731 3.960 0.001 0.000 0.220 248 G C 1.231 176.157 174.900 0.043 0.000 1.156 248 G CA 0.992 46.100 45.100 0.013 0.000 0.766 248 G HN 0.634 nan 8.290 nan 0.000 0.583 249 M N 0.591 120.221 119.600 0.050 0.000 2.428 249 M HA 0.314 4.795 4.480 0.001 0.000 0.239 249 M C 2.444 178.827 176.300 0.137 0.000 1.121 249 M CA 0.377 55.724 55.300 0.078 0.000 1.019 249 M CB 0.657 33.265 32.600 0.013 0.000 1.485 249 M HN 0.291 nan 8.290 nan 0.000 0.484 250 A N 0.393 123.283 122.820 0.117 0.000 2.208 250 A HA 0.069 4.390 4.320 0.001 0.000 0.209 250 A C 0.695 178.351 177.584 0.120 0.000 1.161 250 A CA 0.180 52.293 52.037 0.126 0.000 0.782 250 A CB -0.216 18.852 19.000 0.115 0.000 0.816 250 A HN 0.296 nan 8.150 nan 0.000 0.477 251 K N -0.489 119.975 120.400 0.108 0.000 2.484 251 K HA 0.296 4.616 4.320 0.001 0.000 0.280 251 K C 1.244 177.905 176.600 0.102 0.000 1.013 251 K CA 0.805 57.156 56.287 0.106 0.000 1.029 251 K CB 0.095 32.644 32.500 0.081 0.000 0.902 251 K HN 0.546 nan 8.250 nan 0.000 0.481 252 G N 2.233 111.095 108.800 0.105 0.000 2.253 252 G HA2 -0.312 3.648 3.960 0.001 0.000 0.251 252 G HA3 -0.312 3.648 3.960 0.001 0.000 0.251 252 G C 0.723 175.656 174.900 0.054 0.000 0.998 252 G CA 0.325 45.473 45.100 0.080 0.000 0.621 252 G HN 0.605 nan 8.290 nan 0.000 0.524 253 L N -0.499 120.755 121.223 0.052 0.000 1.989 253 L HA 0.192 4.532 4.340 0.001 0.000 0.211 253 L C 1.209 178.049 176.870 -0.050 0.000 1.071 253 L CA 1.548 56.389 54.840 0.002 0.000 0.749 253 L CB -0.144 41.918 42.059 0.004 0.000 0.890 253 L HN 0.324 nan 8.230 nan 0.000 0.431 254 L N -0.581 120.595 121.223 -0.080 0.000 2.334 254 L HA 0.396 4.737 4.340 0.001 0.000 0.275 254 L C -2.166 174.749 176.870 0.075 0.000 1.036 254 L CA -1.759 53.010 54.840 -0.117 0.000 0.807 254 L CB 0.581 42.343 42.059 -0.494 0.000 1.231 254 L HN -0.135 nan 8.230 nan 0.000 0.438 255 P HA 0.017 nan 4.420 nan 0.000 0.265 255 P C -0.303 177.127 177.300 0.218 0.000 1.193 255 P CA 0.055 63.244 63.100 0.148 0.000 0.765 255 P CB 0.518 32.301 31.700 0.138 0.000 0.823 256 D N 1.309 121.803 120.400 0.156 0.000 2.310 256 D HA -0.114 4.527 4.640 0.001 0.000 0.212 256 D C 1.156 177.523 176.300 0.113 0.000 0.965 256 D CA 1.145 55.229 54.000 0.139 0.000 0.879 256 D CB -0.553 40.297 40.800 0.083 0.000 0.921 256 D HN 0.610 nan 8.370 nan 0.000 0.510 257 N N -0.424 118.343 118.700 0.112 0.000 2.314 257 N HA -0.112 4.629 4.740 0.001 0.000 0.200 257 N C 0.589 176.165 175.510 0.110 0.000 1.135 257 N CA -0.349 52.748 53.050 0.078 0.000 0.835 257 N CB 0.034 38.545 38.487 0.040 0.000 0.989 257 N HN 0.070 nan 8.380 nan 0.000 0.478 258 H N 2.397 121.536 119.070 0.115 0.000 2.928 258 H HA 0.051 4.608 4.556 0.001 0.000 0.338 258 H C -1.275 174.120 175.328 0.113 0.000 1.047 258 H CA -0.910 55.232 56.048 0.156 0.000 1.435 258 H CB 1.480 31.430 29.762 0.314 0.000 1.428 258 H HN 0.185 nan 8.280 nan 0.000 0.590 259 P HA -0.103 nan 4.420 nan 0.000 0.225 259 P C 0.583 177.952 177.300 0.115 0.000 1.148 259 P CA 1.099 64.192 63.100 -0.011 0.000 0.779 259 P CB 0.273 31.912 31.700 -0.101 0.000 0.780 260 Q N -0.570 119.479 119.800 0.415 0.000 2.403 260 Q HA 0.092 4.432 4.340 0.001 0.000 0.203 260 Q C 0.751 176.768 176.000 0.027 0.000 0.932 260 Q CA -0.094 55.908 55.803 0.333 0.000 0.945 260 Q CB 0.045 29.093 28.738 0.516 0.000 1.045 260 Q HN 0.079 nan 8.270 nan 0.000 0.511 261 S N 0.227 115.804 115.700 -0.205 0.000 2.516 261 S HA 0.252 4.723 4.470 0.001 0.000 0.282 261 S C 0.564 174.907 174.600 -0.427 0.000 1.286 261 S CA -0.178 57.535 58.200 -0.812 0.000 1.066 261 S CB 0.866 63.740 63.200 -0.542 0.000 0.884 261 S HN 0.358 nan 8.310 nan 0.000 0.491 262 A N 4.617 127.175 122.820 -0.437 0.000 2.460 262 A HA 0.581 4.902 4.320 0.001 0.000 0.258 262 A C 1.842 179.301 177.584 -0.208 0.000 1.300 262 A CA 0.420 52.304 52.037 -0.254 0.000 0.913 262 A CB -0.591 18.294 19.000 -0.191 0.000 1.031 262 A HN 1.070 nan 8.150 nan 0.000 0.512 263 A N 0.201 122.876 122.820 -0.242 0.000 1.940 263 A HA 0.089 4.410 4.320 0.001 0.000 0.219 263 A C 2.141 179.657 177.584 -0.113 0.000 1.176 263 A CA 1.778 53.719 52.037 -0.160 0.000 0.631 263 A CB -0.548 18.365 19.000 -0.145 0.000 0.814 263 A HN 1.160 nan 8.150 nan 0.000 0.446 264 A N -1.961 120.791 122.820 -0.114 0.000 2.259 264 A HA 0.304 4.625 4.320 0.001 0.000 0.208 264 A C 1.338 178.869 177.584 -0.088 0.000 1.201 264 A CA 1.412 53.396 52.037 -0.088 0.000 0.824 264 A CB -0.443 18.508 19.000 -0.082 0.000 0.838 264 A HN 0.411 nan 8.150 nan 0.000 0.485 265 T N -1.486 113.013 114.554 -0.092 0.000 3.748 265 T HA 0.187 4.538 4.350 0.001 0.000 0.281 265 T C 1.102 175.783 174.700 -0.032 0.000 0.977 265 T CA -0.250 61.811 62.100 -0.066 0.000 1.056 265 T CB -0.520 68.289 68.868 -0.098 0.000 1.138 265 T HN 0.509 nan 8.240 nan 0.000 0.498 266 R N 0.602 121.067 120.500 -0.058 0.000 2.083 266 R HA -0.022 4.319 4.340 0.001 0.000 0.237 266 R C 2.348 178.597 176.300 -0.085 0.000 1.137 266 R CA 1.959 58.012 56.100 -0.078 0.000 0.951 266 R CB -0.406 29.837 30.300 -0.095 0.000 0.851 266 R HN 0.456 nan 8.270 nan 0.000 0.434 267 A N 0.323 123.109 122.820 -0.058 0.000 1.877 267 A HA -0.199 4.121 4.320 0.001 0.000 0.216 267 A C 2.016 179.586 177.584 -0.024 0.000 1.186 267 A CA 1.392 53.389 52.037 -0.068 0.000 0.620 267 A CB -0.791 18.191 19.000 -0.029 0.000 0.822 267 A HN 0.541 nan 8.150 nan 0.000 0.443 268 F N 0.695 120.594 119.950 -0.085 0.000 2.146 268 F HA 0.041 4.569 4.527 0.001 0.000 0.298 268 F C 2.533 178.335 175.800 0.004 0.000 1.096 268 F CA 1.078 59.052 58.000 -0.043 0.000 1.275 268 F CB -0.347 38.620 39.000 -0.055 0.000 1.008 268 F HN 0.255 nan 8.300 nan 0.000 0.480 269 A N 0.847 123.736 122.820 0.115 0.000 1.865 269 A HA -0.176 4.145 4.320 0.001 0.000 0.217 269 A C 2.274 179.893 177.584 0.059 0.000 1.191 269 A CA 2.050 54.156 52.037 0.114 0.000 0.623 269 A CB -1.241 17.788 19.000 0.049 0.000 0.826 269 A HN 0.486 nan 8.150 nan 0.000 0.444 270 L N -1.098 120.043 121.223 -0.137 0.000 2.109 270 L HA -0.131 4.210 4.340 0.001 0.000 0.207 270 L C 3.073 179.774 176.870 -0.281 0.000 1.086 270 L CA 0.965 55.595 54.840 -0.350 0.000 0.760 270 L CB -0.595 40.974 42.059 -0.817 0.000 0.910 270 L HN 0.448 nan 8.230 nan 0.000 0.437 271 A N -0.721 121.946 122.820 -0.255 0.000 1.930 271 A HA -0.161 4.159 4.320 0.001 0.000 0.217 271 A C 2.158 179.648 177.584 -0.157 0.000 1.175 271 A CA 1.202 53.132 52.037 -0.178 0.000 0.627 271 A CB -0.169 18.725 19.000 -0.176 0.000 0.815 271 A HN 0.395 nan 8.150 nan 0.000 0.443 272 Q N -0.602 119.058 119.800 -0.234 0.000 2.384 272 Q HA 0.082 4.423 4.340 0.001 0.000 0.207 272 Q C 1.150 177.024 176.000 -0.210 0.000 0.904 272 Q CA 0.534 56.190 55.803 -0.245 0.000 0.933 272 Q CB -0.743 27.714 28.738 -0.469 0.000 1.077 272 Q HN 0.836 nan 8.270 nan 0.000 0.522 273 C N 1.622 120.856 119.300 -0.109 0.000 2.727 273 C HA 0.209 4.669 4.460 0.001 0.000 0.401 273 C C 1.502 176.354 174.990 -0.230 0.000 1.294 273 C CA -0.191 58.691 59.018 -0.226 0.000 2.134 273 C CB 0.614 28.370 27.740 0.027 0.000 2.724 273 C HN 0.488 nan 8.230 nan 0.000 0.677 274 D N 0.720 120.941 120.400 -0.297 0.000 2.525 274 D HA 0.062 4.702 4.640 0.001 0.000 0.248 274 D C 0.245 176.427 176.300 -0.197 0.000 1.000 274 D CA 0.364 54.230 54.000 -0.225 0.000 0.923 274 D CB -0.324 40.336 40.800 -0.233 0.000 1.101 274 D HN 0.473 nan 8.370 nan 0.000 0.493 275 V N 0.999 120.807 119.914 -0.176 0.000 2.417 275 V HA 0.362 4.482 4.120 0.001 0.000 0.291 275 V C -0.472 175.581 176.094 -0.068 0.000 1.024 275 V CA -1.092 61.127 62.300 -0.134 0.000 0.861 275 V CB 1.791 33.561 31.823 -0.089 0.000 0.985 275 V HN 0.465 nan 8.190 nan 0.000 0.436 276 C N 6.290 125.541 119.300 -0.081 0.000 2.340 276 C HA 0.727 5.188 4.460 0.001 0.000 0.323 276 C C -0.239 174.841 174.990 0.150 0.000 1.260 276 C CA -0.330 58.736 59.018 0.080 0.000 1.464 276 C CB 0.569 28.402 27.740 0.155 0.000 2.156 276 C HN 0.688 nan 8.230 nan 0.000 0.476 277 V N 8.323 128.329 119.914 0.154 0.000 2.304 277 V HA 0.295 4.416 4.120 0.001 0.000 0.269 277 V C 0.114 176.295 176.094 0.145 0.000 1.036 277 V CA -0.124 62.256 62.300 0.132 0.000 0.840 277 V CB 0.760 32.641 31.823 0.098 0.000 1.036 277 V HN 0.753 nan 8.190 nan 0.000 0.466 278 L N 6.550 127.858 121.223 0.140 0.000 2.278 278 L HA 0.493 4.834 4.340 0.001 0.000 0.287 278 L C -0.238 176.673 176.870 0.069 0.000 1.072 278 L CA 0.073 54.976 54.840 0.105 0.000 0.819 278 L CB 0.593 42.689 42.059 0.062 0.000 1.176 278 L HN 0.490 nan 8.230 nan 0.000 0.435 279 I N 3.369 123.980 120.570 0.068 0.000 2.359 279 I HA 0.282 4.453 4.170 0.001 0.000 0.284 279 I C 0.995 177.143 176.117 0.051 0.000 1.018 279 I CA -0.503 60.828 61.300 0.052 0.000 1.173 279 I CB 1.387 39.414 38.000 0.045 0.000 1.326 279 I HN 0.836 nan 8.210 nan 0.000 0.462 280 G N 5.014 113.840 108.800 0.043 0.000 2.366 280 G HA2 -0.068 3.893 3.960 0.001 0.000 0.299 280 G HA3 -0.068 3.893 3.960 0.001 0.000 0.299 280 G C 0.005 174.928 174.900 0.038 0.000 1.020 280 G CA 0.353 45.482 45.100 0.048 0.000 1.026 280 G HN 1.010 nan 8.290 nan 0.000 0.512 281 A N -0.057 122.773 122.820 0.017 0.000 2.437 281 A HA 0.807 5.127 4.320 0.001 0.000 0.293 281 A C 0.117 177.681 177.584 -0.034 0.000 1.038 281 A CA -0.657 51.379 52.037 -0.001 0.000 0.708 281 A CB 1.149 20.164 19.000 0.024 0.000 1.251 281 A HN 0.491 nan 8.150 nan 0.000 0.409 282 R N 0.947 121.410 120.500 -0.061 0.000 2.490 282 R HA 0.336 4.677 4.340 0.001 0.000 0.278 282 R C -0.280 175.954 176.300 -0.112 0.000 1.069 282 R CA -0.724 55.326 56.100 -0.084 0.000 1.080 282 R CB 0.891 31.145 30.300 -0.076 0.000 1.030 282 R HN 0.526 nan 8.270 nan 0.000 0.491 283 L N 4.625 125.760 121.223 -0.148 0.000 2.672 283 L HA 0.052 4.393 4.340 0.001 0.000 0.238 283 L C -0.152 176.627 176.870 -0.152 0.000 1.392 283 L CA 0.118 54.841 54.840 -0.195 0.000 1.238 283 L CB -1.354 40.491 42.059 -0.357 0.000 1.548 283 L HN 0.610 nan 8.230 nan 0.000 0.423 284 N N -1.333 117.257 118.700 -0.183 0.000 2.752 284 N HA 0.094 4.834 4.740 0.001 0.000 0.316 284 N C 1.229 176.385 175.510 -0.589 0.000 1.343 284 N CA -0.111 52.800 53.050 -0.231 0.000 0.875 284 N CB -0.542 37.925 38.487 -0.034 0.000 1.120 284 N HN 0.322 nan 8.380 nan 0.000 0.562 285 W N -0.479 120.487 121.300 -0.557 0.000 2.350 285 W HA -0.028 4.632 4.660 0.001 0.000 0.289 285 W C 1.018 177.432 176.519 -0.175 0.000 1.215 285 W CA 0.396 57.497 57.345 -0.407 0.000 1.236 285 W CB -1.183 28.254 29.460 -0.038 0.000 1.130 285 W HN 0.285 nan 8.180 nan 0.000 0.541 286 L N 0.847 121.435 121.223 -1.059 0.000 2.265 286 L HA -0.119 4.221 4.340 0.001 0.000 0.215 286 L C 2.223 178.873 176.870 -0.366 0.000 1.117 286 L CA 1.202 55.489 54.840 -0.922 0.000 0.782 286 L CB -0.416 41.130 42.059 -0.855 0.000 0.914 286 L HN -0.048 nan 8.230 nan 0.000 0.441 287 M N -1.066 118.408 119.600 -0.211 0.000 2.589 287 M HA 0.138 4.619 4.480 0.001 0.000 0.344 287 M C -0.105 176.335 176.300 0.233 0.000 1.168 287 M CA -0.079 55.269 55.300 0.080 0.000 0.956 287 M CB 0.933 33.654 32.600 0.202 0.000 1.370 287 M HN -0.029 nan 8.290 nan 0.000 0.518 288 Q N 0.074 119.907 119.800 0.056 0.000 2.461 288 Q HA -0.218 4.123 4.340 0.001 0.000 0.273 288 Q C -0.091 176.051 176.000 0.237 0.000 1.163 288 Q CA 0.987 56.896 55.803 0.177 0.000 0.929 288 Q CB -2.574 26.322 28.738 0.264 0.000 1.334 288 Q HN 0.636 nan 8.270 nan 0.000 0.499 289 H N -3.903 115.249 119.070 0.136 0.000 2.958 289 H HA -0.235 4.322 4.556 0.001 0.000 0.274 289 H C 1.242 176.498 175.328 -0.120 0.000 1.184 289 H CA 1.607 57.664 56.048 0.015 0.000 1.143 289 H CB -1.745 28.042 29.762 0.041 0.000 1.297 289 H HN 1.014 nan 8.280 nan 0.000 0.356 290 G N 0.204 108.902 108.800 -0.169 0.000 2.203 290 G HA2 -0.333 3.628 3.960 0.001 0.000 0.263 290 G HA3 -0.333 3.628 3.960 0.001 0.000 0.263 290 G C 0.154 174.849 174.900 -0.342 0.000 1.012 290 G CA 1.148 45.793 45.100 -0.758 0.000 0.749 290 G HN 0.570 nan 8.290 nan 0.000 0.512 291 K N -0.793 119.663 120.400 0.093 0.000 2.395 291 K HA 0.713 5.033 4.320 0.001 0.000 0.247 291 K C 0.769 177.553 176.600 0.308 0.000 0.973 291 K CA -0.223 56.172 56.287 0.179 0.000 0.828 291 K CB 2.032 34.614 32.500 0.137 0.000 1.272 291 K HN 1.353 nan 8.250 nan 0.000 0.439 292 G N 1.336 110.266 108.800 0.217 0.000 2.632 292 G HA2 -0.238 3.722 3.960 0.001 0.000 0.224 292 G HA3 -0.238 3.722 3.960 0.001 0.000 0.224 292 G C 0.330 175.334 174.900 0.174 0.000 1.341 292 G CA -0.399 44.806 45.100 0.175 0.000 0.880 292 G HN 0.500 nan 8.290 nan 0.000 0.566 293 K N 0.024 120.489 120.400 0.109 0.000 2.152 293 K HA -0.123 4.198 4.320 0.001 0.000 0.206 293 K C 2.889 179.502 176.600 0.021 0.000 1.048 293 K CA 2.350 58.673 56.287 0.061 0.000 0.933 293 K CB -0.931 31.591 32.500 0.037 0.000 0.721 293 K HN 0.985 nan 8.250 nan 0.000 0.447 294 T N -2.682 111.872 114.554 -0.001 0.000 3.007 294 T HA -0.129 4.221 4.350 0.001 0.000 0.270 294 T C 1.127 175.570 174.700 -0.427 0.000 1.107 294 T CA 0.475 62.448 62.100 -0.211 0.000 1.118 294 T CB -0.185 68.525 68.868 -0.264 0.000 0.889 294 T HN 0.294 nan 8.240 nan 0.000 0.506 295 W N 0.938 122.253 121.300 0.025 0.000 2.926 295 W HA 0.604 5.264 4.660 0.001 0.000 0.419 295 W C 1.446 177.958 176.519 -0.012 0.000 0.993 295 W CA -0.498 56.857 57.345 0.016 0.000 2.025 295 W CB -0.015 29.480 29.460 0.058 0.000 1.152 295 W HN 0.331 nan 8.180 nan 0.000 0.659 296 G N 1.480 110.341 108.800 0.101 0.000 2.203 296 G HA2 -0.362 3.598 3.960 0.001 0.000 0.263 296 G HA3 -0.362 3.598 3.960 0.001 0.000 0.263 296 G C 0.254 175.199 174.900 0.075 0.000 1.012 296 G CA 0.381 45.512 45.100 0.053 0.000 0.749 296 G HN 0.337 nan 8.290 nan 0.000 0.512 297 D N -0.407 120.062 120.400 0.114 0.000 2.708 297 D HA -0.161 4.479 4.640 0.001 0.000 0.236 297 D C 0.639 176.985 176.300 0.075 0.000 1.146 297 D CA 2.044 56.102 54.000 0.095 0.000 0.662 297 D CB -0.988 39.849 40.800 0.061 0.000 1.059 297 D HN 1.138 nan 8.370 nan 0.000 0.428 298 E N -1.243 119.013 120.200 0.093 0.000 2.408 298 E HA 0.521 4.872 4.350 0.001 0.000 0.275 298 E C -0.819 175.806 176.600 0.042 0.000 0.935 298 E CA -1.201 55.229 56.400 0.050 0.000 0.775 298 E CB 1.629 31.343 29.700 0.022 0.000 1.277 298 E HN -0.018 nan 8.360 nan 0.000 0.455 299 L N 2.028 123.252 121.223 0.003 0.000 2.315 299 L HA 0.305 4.646 4.340 0.001 0.000 0.283 299 L C -0.539 176.268 176.870 -0.105 0.000 1.089 299 L CA -0.298 54.529 54.840 -0.022 0.000 0.833 299 L CB 0.209 42.266 42.059 -0.004 0.000 1.170 299 L HN 0.413 nan 8.230 nan 0.000 0.442 300 K N 3.905 124.147 120.400 -0.265 0.000 2.138 300 K HA 0.170 4.490 4.320 0.001 0.000 0.251 300 K C -0.232 176.092 176.600 -0.460 0.000 1.015 300 K CA -0.431 55.580 56.287 -0.459 0.000 0.917 300 K CB 0.383 32.388 32.500 -0.825 0.000 1.021 300 K HN 0.405 nan 8.250 nan 0.000 0.485 301 K N 1.861 122.054 120.400 -0.345 0.000 2.262 301 K HA 0.116 4.437 4.320 0.001 0.000 0.288 301 K C -0.904 175.540 176.600 -0.261 0.000 1.090 301 K CA 0.062 56.217 56.287 -0.220 0.000 0.918 301 K CB -0.126 32.297 32.500 -0.129 0.000 1.139 301 K HN 0.266 nan 8.250 nan 0.000 0.462 302 Y N 1.522 121.783 120.300 -0.065 0.000 2.327 302 Y HA 0.210 4.760 4.550 0.001 0.000 0.336 302 Y C 0.356 176.234 175.900 -0.037 0.000 1.035 302 Y CA -0.779 57.284 58.100 -0.062 0.000 1.165 302 Y CB 0.919 39.317 38.460 -0.103 0.000 1.181 302 Y HN 0.146 nan 8.280 nan 0.000 0.494 303 V N 4.430 124.427 119.914 0.138 0.000 2.439 303 V HA 0.367 4.487 4.120 0.001 0.000 0.282 303 V C -0.403 175.749 176.094 0.097 0.000 1.039 303 V CA -0.779 61.575 62.300 0.089 0.000 0.913 303 V CB 1.421 33.280 31.823 0.059 0.000 0.983 303 V HN 0.735 nan 8.190 nan 0.000 0.460 304 Q N 3.976 123.810 119.800 0.057 0.000 2.285 304 Q HA 0.610 4.951 4.340 0.001 0.000 0.269 304 Q C -1.594 174.420 176.000 0.023 0.000 1.030 304 Q CA -0.559 55.264 55.803 0.033 0.000 0.788 304 Q CB 2.054 30.790 28.738 -0.004 0.000 1.266 304 Q HN 0.757 nan 8.270 nan 0.000 0.438 305 I N 3.448 124.033 120.570 0.025 0.000 2.330 305 I HA 0.453 4.623 4.170 0.001 0.000 0.289 305 I C -0.647 175.481 176.117 0.018 0.000 1.001 305 I CA -0.354 60.959 61.300 0.021 0.000 1.193 305 I CB 1.290 39.306 38.000 0.026 0.000 1.345 305 I HN 0.545 nan 8.210 nan 0.000 0.461 306 D N 5.116 125.524 120.400 0.013 0.000 2.837 306 D HA 0.231 4.871 4.640 0.001 0.000 0.220 306 D C 0.188 176.496 176.300 0.013 0.000 1.236 306 D CA -0.499 53.507 54.000 0.011 0.000 0.838 306 D CB 2.924 43.722 40.800 -0.004 0.000 1.647 306 D HN 0.479 nan 8.370 nan 0.000 0.486 307 I N 1.505 122.086 120.570 0.019 0.000 2.928 307 I HA -0.109 4.062 4.170 0.001 0.000 0.266 307 I C 0.497 176.620 176.117 0.011 0.000 1.234 307 I CA 0.824 62.136 61.300 0.021 0.000 1.483 307 I CB 0.281 38.302 38.000 0.034 0.000 1.097 307 I HN 0.190 nan 8.210 nan 0.000 0.455 308 Q N 0.613 120.413 119.800 0.001 0.000 2.406 308 Q HA 0.328 4.668 4.340 0.001 0.000 0.242 308 Q C 0.820 176.815 176.000 -0.008 0.000 1.036 308 Q CA 0.338 56.137 55.803 -0.006 0.000 0.904 308 Q CB 1.370 30.098 28.738 -0.017 0.000 1.244 308 Q HN 0.359 nan 8.270 nan 0.000 0.478 309 A N 4.172 126.990 122.820 -0.004 0.000 1.892 309 A HA -0.229 4.091 4.320 0.001 0.000 0.218 309 A C 1.427 179.005 177.584 -0.011 0.000 1.188 309 A CA 2.035 54.069 52.037 -0.005 0.000 0.631 309 A CB -0.632 18.367 19.000 -0.001 0.000 0.822 309 A HN 0.887 nan 8.150 nan 0.000 0.447 310 N N -0.370 118.323 118.700 -0.012 0.000 2.449 310 N HA -0.043 4.697 4.740 0.001 0.000 0.191 310 N C 0.956 176.453 175.510 -0.021 0.000 1.161 310 N CA 1.150 54.191 53.050 -0.015 0.000 0.863 310 N CB -0.038 38.441 38.487 -0.013 0.000 0.980 310 N HN 0.467 nan 8.380 nan 0.000 0.458 311 E N 0.364 120.550 120.200 -0.025 0.000 2.208 311 E HA 0.026 4.376 4.350 0.001 0.000 0.193 311 E C 0.354 176.928 176.600 -0.043 0.000 0.988 311 E CA 0.420 56.800 56.400 -0.034 0.000 0.828 311 E CB -0.105 29.573 29.700 -0.036 0.000 0.763 311 E HN 0.253 nan 8.360 nan 0.000 0.478 312 M N 1.514 121.092 119.600 -0.036 0.000 2.249 312 M HA 0.000 4.481 4.480 0.001 0.000 0.340 312 M C -0.109 176.164 176.300 -0.044 0.000 1.166 312 M CA 0.672 55.947 55.300 -0.042 0.000 1.115 312 M CB 0.090 32.674 32.600 -0.027 0.000 1.606 312 M HN 0.024 nan 8.290 nan 0.000 0.448 313 D N 0.282 120.646 120.400 -0.059 0.000 2.911 313 D HA -0.158 4.482 4.640 0.001 0.000 0.227 313 D C 1.119 177.388 176.300 -0.052 0.000 1.164 313 D CA 1.261 55.228 54.000 -0.055 0.000 0.782 313 D CB -1.335 39.445 40.800 -0.034 0.000 1.094 313 D HN 0.816 nan 8.370 nan 0.000 0.425 314 S N -1.473 114.193 115.700 -0.057 0.000 2.406 314 S HA -0.076 4.395 4.470 0.001 0.000 0.228 314 S C 1.474 176.054 174.600 -0.033 0.000 1.020 314 S CA 0.945 59.122 58.200 -0.038 0.000 0.965 314 S CB 0.449 63.631 63.200 -0.031 0.000 0.798 314 S HN 0.401 nan 8.310 nan 0.000 0.488 315 N N -0.412 118.253 118.700 -0.059 0.000 2.804 315 N HA 0.187 4.927 4.740 0.001 0.000 0.250 315 N C -0.222 175.241 175.510 -0.079 0.000 1.024 315 N CA 0.175 53.197 53.050 -0.046 0.000 0.995 315 N CB 0.517 38.995 38.487 -0.016 0.000 1.690 315 N HN 0.267 nan 8.380 nan 0.000 0.515 316 Q N 1.009 120.723 119.800 -0.142 0.000 2.413 316 Q HA 0.498 4.839 4.340 0.001 0.000 0.276 316 Q C -2.678 173.268 176.000 -0.089 0.000 1.099 316 Q CA -1.760 53.974 55.803 -0.115 0.000 0.814 316 Q CB 1.992 30.637 28.738 -0.154 0.000 1.379 316 Q HN 0.026 nan 8.270 nan 0.000 0.436 317 P HA 0.038 nan 4.420 nan 0.000 0.262 317 P C -0.573 176.742 177.300 0.025 0.000 1.182 317 P CA 0.254 63.350 63.100 -0.006 0.000 0.761 317 P CB 0.366 32.071 31.700 0.008 0.000 0.795 318 I N 2.918 123.492 120.570 0.007 0.000 2.307 318 I HA 0.169 4.340 4.170 0.001 0.000 0.289 318 I C 1.378 177.519 176.117 0.041 0.000 1.021 318 I CA -0.483 60.838 61.300 0.036 0.000 1.224 318 I CB 0.602 38.595 38.000 -0.011 0.000 1.376 318 I HN 0.399 nan 8.210 nan 0.000 0.470 319 A N 5.505 128.361 122.820 0.061 0.000 2.014 319 A HA 0.256 4.576 4.320 0.001 0.000 0.218 319 A C 1.188 178.784 177.584 0.021 0.000 1.163 319 A CA 1.205 53.259 52.037 0.028 0.000 0.652 319 A CB 0.110 19.118 19.000 0.013 0.000 0.808 319 A HN 0.744 nan 8.150 nan 0.000 0.449 320 A N 0.377 123.216 122.820 0.031 0.000 3.082 320 A HA 0.581 4.902 4.320 0.001 0.000 0.328 320 A C -3.045 174.553 177.584 0.023 0.000 1.089 320 A CA -1.309 50.741 52.037 0.022 0.000 0.802 320 A CB 0.491 19.504 19.000 0.021 0.000 1.138 320 A HN 0.154 nan 8.150 nan 0.000 0.474 321 P HA 0.312 nan 4.420 nan 0.000 0.276 321 P C -0.441 176.864 177.300 0.009 0.000 1.243 321 P CA 0.101 63.206 63.100 0.009 0.000 0.768 321 P CB 1.571 33.272 31.700 0.001 0.000 0.856 322 V N 5.176 125.097 119.914 0.011 0.000 2.325 322 V HA 0.167 4.287 4.120 0.001 0.000 0.280 322 V C 0.278 176.378 176.094 0.010 0.000 1.016 322 V CA -0.735 61.572 62.300 0.012 0.000 0.818 322 V CB 1.809 33.641 31.823 0.015 0.000 1.019 322 V HN 0.254 nan 8.190 nan 0.000 0.434 323 V N 4.447 124.366 119.914 0.008 0.000 2.383 323 V HA 0.972 5.093 4.120 0.001 0.000 0.275 323 V C 0.747 176.848 176.094 0.012 0.000 1.036 323 V CA 0.549 62.854 62.300 0.009 0.000 0.889 323 V CB 0.898 32.724 31.823 0.006 0.000 0.985 323 V HN 1.102 nan 8.190 nan 0.000 0.459 324 G N 4.052 112.861 108.800 0.016 0.000 2.337 324 G HA2 0.320 4.280 3.960 0.001 0.000 0.298 324 G HA3 0.320 4.280 3.960 0.001 0.000 0.298 324 G C -1.354 173.561 174.900 0.025 0.000 1.335 324 G CA -0.471 44.640 45.100 0.019 0.000 0.875 324 G HN 0.897 nan 8.290 nan 0.000 0.579 325 D N -0.886 119.531 120.400 0.028 0.000 2.382 325 D HA 0.360 5.001 4.640 0.001 0.000 0.245 325 D C 1.446 177.764 176.300 0.029 0.000 1.120 325 D CA -0.571 53.451 54.000 0.036 0.000 0.890 325 D CB 1.240 42.062 40.800 0.037 0.000 1.201 325 D HN 0.332 nan 8.370 nan 0.000 0.433 326 I N 1.157 121.748 120.570 0.036 0.000 2.226 326 I HA -0.233 3.937 4.170 0.001 0.000 0.245 326 I C 2.495 178.620 176.117 0.012 0.000 1.100 326 I CA 1.187 62.503 61.300 0.027 0.000 1.374 326 I CB -0.298 37.724 38.000 0.037 0.000 1.057 326 I HN 0.586 nan 8.210 nan 0.000 0.413 327 K N 0.647 121.050 120.400 0.006 0.000 2.009 327 K HA -0.202 4.119 4.320 0.001 0.000 0.210 327 K C 2.264 178.862 176.600 -0.002 0.000 1.049 327 K CA 2.071 58.355 56.287 -0.006 0.000 0.929 327 K CB -0.059 32.432 32.500 -0.015 0.000 0.714 327 K HN 0.173 nan 8.250 nan 0.000 0.440 328 S N 0.483 116.185 115.700 0.003 0.000 2.359 328 S HA -0.165 4.306 4.470 0.001 0.000 0.224 328 S C 2.046 176.649 174.600 0.005 0.000 1.035 328 S CA 1.258 59.460 58.200 0.004 0.000 1.018 328 S CB -0.363 62.841 63.200 0.008 0.000 0.876 328 S HN 0.545 nan 8.310 nan 0.000 0.448 329 A N 1.110 123.935 122.820 0.008 0.000 1.877 329 A HA -0.038 4.282 4.320 0.001 0.000 0.216 329 A C 2.367 179.955 177.584 0.007 0.000 1.186 329 A CA 1.530 53.573 52.037 0.010 0.000 0.620 329 A CB -0.957 18.052 19.000 0.014 0.000 0.822 329 A HN 0.335 nan 8.150 nan 0.000 0.443 330 V N -0.306 119.611 119.914 0.004 0.000 2.343 330 V HA -0.219 3.901 4.120 0.001 0.000 0.247 330 V C 2.831 178.924 176.094 -0.002 0.000 1.051 330 V CA 2.292 64.592 62.300 -0.000 0.000 1.036 330 V CB -0.758 31.060 31.823 -0.007 0.000 0.654 330 V HN 0.686 nan 8.190 nan 0.000 0.451 331 S N -0.301 115.397 115.700 -0.004 0.000 2.353 331 S HA -0.196 4.274 4.470 0.001 0.000 0.222 331 S C 1.955 176.554 174.600 -0.000 0.000 1.035 331 S CA 1.946 60.143 58.200 -0.004 0.000 1.025 331 S CB -0.339 62.858 63.200 -0.004 0.000 0.902 331 S HN 0.505 nan 8.310 nan 0.000 0.440 332 L N 0.580 121.804 121.223 0.002 0.000 2.046 332 L HA -0.068 4.273 4.340 0.001 0.000 0.208 332 L C 2.535 179.408 176.870 0.005 0.000 1.077 332 L CA 0.958 55.800 54.840 0.004 0.000 0.747 332 L CB -0.553 41.509 42.059 0.005 0.000 0.896 332 L HN 0.357 nan 8.230 nan 0.000 0.432 333 L N -0.165 121.062 121.223 0.006 0.000 2.017 333 L HA -0.187 4.154 4.340 0.001 0.000 0.208 333 L C 2.747 179.622 176.870 0.007 0.000 1.073 333 L CA 1.656 56.501 54.840 0.008 0.000 0.745 333 L CB -0.638 41.428 42.059 0.011 0.000 0.894 333 L HN 0.096 nan 8.230 nan 0.000 0.432 334 R N -0.112 120.391 120.500 0.004 0.000 2.112 334 R HA -0.227 4.114 4.340 0.001 0.000 0.242 334 R C 2.271 178.574 176.300 0.005 0.000 1.137 334 R CA 2.215 58.317 56.100 0.004 0.000 0.944 334 R CB -0.398 29.901 30.300 -0.001 0.000 0.857 334 R HN 0.444 nan 8.270 nan 0.000 0.435 335 K N -0.239 120.163 120.400 0.004 0.000 2.148 335 K HA -0.059 4.262 4.320 0.001 0.000 0.204 335 K C 1.975 178.579 176.600 0.005 0.000 1.050 335 K CA 1.199 57.489 56.287 0.004 0.000 0.942 335 K CB -0.060 32.442 32.500 0.003 0.000 0.724 335 K HN 0.163 nan 8.250 nan 0.000 0.446 336 A N 0.703 123.526 122.820 0.006 0.000 2.119 336 A HA -0.028 4.293 4.320 0.001 0.000 0.217 336 A C 1.723 179.312 177.584 0.008 0.000 1.153 336 A CA 0.979 53.020 52.037 0.007 0.000 0.692 336 A CB -0.196 18.808 19.000 0.007 0.000 0.799 336 A HN 0.176 nan 8.150 nan 0.000 0.458 337 L N -1.024 120.205 121.223 0.009 0.000 2.693 337 L HA 0.153 4.494 4.340 0.001 0.000 0.235 337 L C 0.836 177.713 176.870 0.012 0.000 1.127 337 L CA -0.226 54.621 54.840 0.012 0.000 0.914 337 L CB 0.058 42.126 42.059 0.015 0.000 1.193 337 L HN 0.198 nan 8.230 nan 0.000 0.502 338 K N 1.087 121.493 120.400 0.010 0.000 2.472 338 K HA 0.122 4.442 4.320 0.001 0.000 0.280 338 K C 1.173 177.779 176.600 0.010 0.000 1.028 338 K CA 1.052 57.345 56.287 0.010 0.000 1.045 338 K CB 0.279 32.783 32.500 0.007 0.000 0.902 338 K HN 0.252 nan 8.250 nan 0.000 0.478 339 G N 2.097 110.904 108.800 0.012 0.000 2.199 339 G HA2 -0.312 3.648 3.960 0.001 0.000 0.254 339 G HA3 -0.312 3.648 3.960 0.001 0.000 0.254 339 G C 0.171 175.080 174.900 0.014 0.000 0.982 339 G CA 0.140 45.247 45.100 0.012 0.000 0.632 339 G HN 0.922 nan 8.290 nan 0.000 0.529 340 A N 0.904 123.733 122.820 0.015 0.000 2.445 340 A HA 0.641 4.961 4.320 0.001 0.000 0.242 340 A C -0.962 176.635 177.584 0.022 0.000 1.075 340 A CA -0.239 51.809 52.037 0.017 0.000 0.777 340 A CB -0.067 18.943 19.000 0.017 0.000 1.013 340 A HN 0.274 nan 8.150 nan 0.000 0.493 341 P HA 0.163 nan 4.420 nan 0.000 0.269 341 P C -0.261 177.062 177.300 0.037 0.000 1.215 341 P CA -0.073 63.044 63.100 0.028 0.000 0.780 341 P CB 0.401 32.116 31.700 0.026 0.000 0.898 342 K N 0.881 121.308 120.400 0.045 0.000 2.180 342 K HA 0.428 4.749 4.320 0.001 0.000 0.251 342 K C 0.426 177.070 176.600 0.074 0.000 1.014 342 K CA -0.550 55.773 56.287 0.060 0.000 0.913 342 K CB 0.272 32.810 32.500 0.062 0.000 1.008 342 K HN 0.541 nan 8.250 nan 0.000 0.490 343 A N 1.585 124.466 122.820 0.100 0.000 2.507 343 A HA -0.067 4.254 4.320 0.001 0.000 0.235 343 A C 0.077 177.749 177.584 0.146 0.000 1.070 343 A CA -0.156 51.962 52.037 0.135 0.000 0.768 343 A CB 0.057 19.181 19.000 0.207 0.000 1.011 343 A HN 0.756 nan 8.150 nan 0.000 0.502 344 D N 1.379 121.873 120.400 0.157 0.000 2.531 344 D HA 0.189 4.829 4.640 0.001 0.000 0.239 344 D C 1.273 177.683 176.300 0.184 0.000 1.144 344 D CA 0.917 55.008 54.000 0.151 0.000 0.869 344 D CB 0.882 41.768 40.800 0.143 0.000 1.160 344 D HN 0.534 nan 8.370 nan 0.000 0.484 345 A N 4.355 127.248 122.820 0.121 0.000 1.969 345 A HA -0.195 4.125 4.320 0.001 0.000 0.218 345 A C 1.896 179.538 177.584 0.097 0.000 1.169 345 A CA 1.674 53.767 52.037 0.093 0.000 0.635 345 A CB -0.487 18.549 19.000 0.061 0.000 0.810 345 A HN 0.812 nan 8.150 nan 0.000 0.445 346 E N -1.270 119.004 120.200 0.123 0.000 2.150 346 E HA -0.212 4.138 4.350 0.001 0.000 0.193 346 E C 1.998 178.715 176.600 0.196 0.000 0.985 346 E CA 0.920 57.396 56.400 0.126 0.000 0.814 346 E CB -0.543 29.228 29.700 0.118 0.000 0.752 346 E HN 0.855 nan 8.360 nan 0.000 0.466 347 W N 2.961 124.289 121.300 0.046 0.000 2.408 347 W HA -0.190 4.470 4.660 0.001 0.000 0.311 347 W C 2.239 178.796 176.519 0.063 0.000 1.190 347 W CA 2.439 59.823 57.345 0.064 0.000 1.321 347 W CB -0.335 29.158 29.460 0.054 0.000 1.143 347 W HN 0.244 nan 8.180 nan 0.000 0.501 348 T N -1.613 112.924 114.554 -0.028 0.000 2.821 348 T HA -0.065 4.286 4.350 0.001 0.000 0.267 348 T C 2.000 176.612 174.700 -0.148 0.000 1.046 348 T CA 1.662 63.661 62.100 -0.167 0.000 1.139 348 T CB -1.200 67.670 68.868 0.003 0.000 0.871 348 T HN 0.148 nan 8.240 nan 0.000 0.454 349 G N 1.264 110.025 108.800 -0.065 0.000 2.418 349 G HA2 0.057 4.018 3.960 0.001 0.000 0.217 349 G HA3 0.057 4.018 3.960 0.001 0.000 0.217 349 G C 1.926 176.761 174.900 -0.108 0.000 1.158 349 G CA 0.847 45.908 45.100 -0.064 0.000 0.771 349 G HN 0.752 nan 8.290 nan 0.000 0.545 350 A N 0.574 123.322 122.820 -0.120 0.000 1.902 350 A HA 0.110 4.430 4.320 0.001 0.000 0.217 350 A C 2.438 179.859 177.584 -0.272 0.000 1.181 350 A CA 1.242 53.184 52.037 -0.158 0.000 0.623 350 A CB -0.378 18.585 19.000 -0.061 0.000 0.818 350 A HN 0.350 nan 8.150 nan 0.000 0.443 351 L N -1.064 119.944 121.223 -0.359 0.000 2.056 351 L HA -0.162 4.179 4.340 0.001 0.000 0.207 351 L C 2.601 179.321 176.870 -0.250 0.000 1.078 351 L CA 1.741 56.364 54.840 -0.362 0.000 0.749 351 L CB -0.473 41.292 42.059 -0.490 0.000 0.901 351 L HN 0.315 nan 8.230 nan 0.000 0.433 352 K N 0.891 121.168 120.400 -0.204 0.000 2.063 352 K HA -0.141 4.179 4.320 0.001 0.000 0.208 352 K C 2.038 178.558 176.600 -0.132 0.000 1.048 352 K CA 1.632 57.833 56.287 -0.142 0.000 0.928 352 K CB -0.383 32.055 32.500 -0.104 0.000 0.713 352 K HN 0.230 nan 8.250 nan 0.000 0.442 353 A N 0.706 123.441 122.820 -0.141 0.000 1.933 353 A HA -0.179 4.142 4.320 0.001 0.000 0.218 353 A C 1.958 179.452 177.584 -0.149 0.000 1.175 353 A CA 1.831 53.790 52.037 -0.130 0.000 0.628 353 A CB -0.406 18.518 19.000 -0.127 0.000 0.814 353 A HN 0.355 nan 8.150 nan 0.000 0.444 354 K N -0.551 119.729 120.400 -0.199 0.000 2.062 354 K HA -0.021 4.299 4.320 0.001 0.000 0.205 354 K C 1.889 178.397 176.600 -0.154 0.000 1.051 354 K CA 1.227 57.388 56.287 -0.210 0.000 0.941 354 K CB -0.315 32.001 32.500 -0.307 0.000 0.719 354 K HN 0.291 nan 8.250 nan 0.000 0.440 355 V N 2.239 122.065 119.914 -0.147 0.000 2.295 355 V HA -0.268 3.852 4.120 0.001 0.000 0.246 355 V C 1.616 177.655 176.094 -0.092 0.000 1.049 355 V CA 1.963 64.193 62.300 -0.117 0.000 1.024 355 V CB -0.437 31.314 31.823 -0.120 0.000 0.648 355 V HN 0.286 nan 8.190 nan 0.000 0.447 356 D N 0.608 120.954 120.400 -0.090 0.000 2.104 356 D HA -0.131 4.510 4.640 0.001 0.000 0.194 356 D C 2.193 178.454 176.300 -0.066 0.000 0.994 356 D CA 1.732 55.690 54.000 -0.071 0.000 0.830 356 D CB -0.724 40.035 40.800 -0.068 0.000 0.959 356 D HN 0.467 nan 8.370 nan 0.000 0.452 357 G N 0.711 109.464 108.800 -0.077 0.000 2.418 357 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 357 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 357 G C 1.643 176.506 174.900 -0.062 0.000 1.158 357 G CA 0.546 45.604 45.100 -0.070 0.000 0.771 357 G HN 0.164 nan 8.290 nan 0.000 0.545 358 N N 0.690 119.348 118.700 -0.070 0.000 2.188 358 N HA -0.031 4.709 4.740 0.001 0.000 0.184 358 N C 2.120 177.602 175.510 -0.047 0.000 1.018 358 N CA 0.852 53.866 53.050 -0.060 0.000 0.858 358 N CB -0.245 38.201 38.487 -0.068 0.000 0.989 358 N HN 0.351 nan 8.380 nan 0.000 0.426 359 K N 0.686 121.057 120.400 -0.048 0.000 2.097 359 K HA 0.050 4.371 4.320 0.001 0.000 0.205 359 K C 2.018 178.601 176.600 -0.029 0.000 1.050 359 K CA 1.055 57.320 56.287 -0.037 0.000 0.938 359 K CB -0.083 32.394 32.500 -0.038 0.000 0.718 359 K HN 0.116 nan 8.250 nan 0.000 0.442 360 A N 1.888 124.688 122.820 -0.033 0.000 1.902 360 A HA -0.213 4.108 4.320 0.001 0.000 0.217 360 A C 1.872 179.443 177.584 -0.023 0.000 1.181 360 A CA 1.580 53.601 52.037 -0.027 0.000 0.623 360 A CB -0.286 18.696 19.000 -0.031 0.000 0.818 360 A HN 0.190 nan 8.150 nan 0.000 0.443 361 K N -0.953 119.432 120.400 -0.026 0.000 2.057 361 K HA -0.097 4.224 4.320 0.001 0.000 0.207 361 K C 1.903 178.494 176.600 -0.014 0.000 1.049 361 K CA 1.318 57.593 56.287 -0.021 0.000 0.931 361 K CB -0.342 32.143 32.500 -0.025 0.000 0.714 361 K HN 0.385 nan 8.250 nan 0.000 0.440 362 L N 1.176 122.390 121.223 -0.015 0.000 2.046 362 L HA -0.095 4.246 4.340 0.001 0.000 0.208 362 L C 2.171 179.040 176.870 -0.002 0.000 1.077 362 L CA 1.707 56.543 54.840 -0.007 0.000 0.747 362 L CB -0.734 41.320 42.059 -0.009 0.000 0.896 362 L HN 0.124 nan 8.230 nan 0.000 0.432 363 A N -0.422 122.394 122.820 -0.006 0.000 1.908 363 A HA -0.124 4.196 4.320 0.001 0.000 0.218 363 A C 2.367 179.950 177.584 -0.001 0.000 1.181 363 A CA 1.687 53.722 52.037 -0.003 0.000 0.627 363 A CB -1.625 17.370 19.000 -0.007 0.000 0.818 363 A HN 0.532 nan 8.150 nan 0.000 0.445 364 G N -0.412 108.385 108.800 -0.004 0.000 2.440 364 G HA2 -0.259 3.702 3.960 0.001 0.000 0.218 364 G HA3 -0.259 3.702 3.960 0.001 0.000 0.218 364 G C 1.689 176.590 174.900 0.002 0.000 1.154 364 G CA 1.169 46.268 45.100 -0.002 0.000 0.767 364 G HN 0.589 nan 8.290 nan 0.000 0.552 365 K N -0.362 120.040 120.400 0.005 0.000 2.057 365 K HA 0.081 4.401 4.320 0.001 0.000 0.207 365 K C 2.610 179.219 176.600 0.015 0.000 1.049 365 K CA 1.113 57.407 56.287 0.011 0.000 0.931 365 K CB -0.207 32.302 32.500 0.015 0.000 0.714 365 K HN 0.297 nan 8.250 nan 0.000 0.440 366 M N 0.021 119.630 119.600 0.014 0.000 2.374 366 M HA -0.097 4.384 4.480 0.001 0.000 0.264 366 M C 1.636 177.942 176.300 0.010 0.000 1.067 366 M CA 1.142 56.451 55.300 0.016 0.000 1.103 366 M CB -0.032 32.577 32.600 0.016 0.000 1.402 366 M HN 0.024 nan 8.290 nan 0.000 0.444 367 T N 0.607 115.166 114.554 0.007 0.000 3.081 367 T HA 0.241 4.591 4.350 0.001 0.000 0.255 367 T C 0.713 175.415 174.700 0.004 0.000 1.113 367 T CA 0.073 62.176 62.100 0.005 0.000 1.082 367 T CB -0.119 68.750 68.868 0.003 0.000 0.939 367 T HN 0.392 nan 8.240 nan 0.000 0.506 368 A N 1.600 124.424 122.820 0.005 0.000 2.531 368 A HA 0.193 4.514 4.320 0.001 0.000 0.236 368 A C 0.224 177.810 177.584 0.002 0.000 1.062 368 A CA 0.098 52.138 52.037 0.005 0.000 0.760 368 A CB 0.137 19.141 19.000 0.008 0.000 0.995 368 A HN 0.442 nan 8.150 nan 0.000 0.501 369 E N 0.232 120.433 120.200 0.001 0.000 2.191 369 E HA 0.497 4.848 4.350 0.001 0.000 0.278 369 E C -0.168 176.431 176.600 -0.002 0.000 0.972 369 E CA -0.233 56.167 56.400 -0.001 0.000 0.804 369 E CB 1.162 30.862 29.700 -0.001 0.000 1.110 369 E HN 0.812 nan 8.360 nan 0.000 0.394 370 T N 0.802 115.353 114.554 -0.005 0.000 2.906 370 T HA 0.581 4.931 4.350 0.001 0.000 0.295 370 T C -2.585 172.110 174.700 -0.008 0.000 1.075 370 T CA -2.034 60.062 62.100 -0.007 0.000 1.005 370 T CB 1.390 70.251 68.868 -0.012 0.000 1.136 370 T HN 0.141 nan 8.240 nan 0.000 0.498 371 P HA 0.289 nan 4.420 nan 0.000 0.269 371 P C -0.065 177.229 177.300 -0.010 0.000 1.215 371 P CA -0.383 62.713 63.100 -0.007 0.000 0.780 371 P CB 0.326 32.023 31.700 -0.005 0.000 0.898 372 S N 1.148 116.843 115.700 -0.008 0.000 2.563 372 S HA 0.294 4.764 4.470 0.001 0.000 0.294 372 S C 1.439 176.032 174.600 -0.012 0.000 1.279 372 S CA 0.918 59.113 58.200 -0.010 0.000 1.069 372 S CB -1.209 61.987 63.200 -0.006 0.000 0.828 372 S HN 0.916 nan 8.310 nan 0.000 0.497 373 G N 4.217 113.007 108.800 -0.016 0.000 2.162 373 G HA2 -0.224 3.736 3.960 0.001 0.000 0.260 373 G HA3 -0.224 3.736 3.960 0.001 0.000 0.260 373 G C 0.210 175.096 174.900 -0.024 0.000 0.976 373 G CA 0.577 45.666 45.100 -0.018 0.000 0.655 373 G HN 0.733 nan 8.290 nan 0.000 0.533 374 M N 0.310 119.893 119.600 -0.027 0.000 3.404 374 M HA 0.402 4.882 4.480 0.001 0.000 0.398 374 M C 0.609 176.883 176.300 -0.043 0.000 1.599 374 M CA -0.211 55.070 55.300 -0.031 0.000 0.696 374 M CB 0.580 33.170 32.600 -0.016 0.000 1.427 374 M HN 0.160 nan 8.290 nan 0.000 0.502 375 M N 1.787 121.349 119.600 -0.064 0.000 2.245 375 M HA 0.159 4.639 4.480 0.001 0.000 0.330 375 M C 0.713 176.946 176.300 -0.113 0.000 1.098 375 M CA 0.615 55.868 55.300 -0.078 0.000 1.172 375 M CB 0.377 32.921 32.600 -0.092 0.000 1.467 375 M HN 0.476 nan 8.290 nan 0.000 0.454 376 N N 0.360 119.009 118.700 -0.085 0.000 2.643 376 N HA 0.191 4.932 4.740 0.001 0.000 0.305 376 N C -0.091 175.338 175.510 -0.134 0.000 1.283 376 N CA -0.747 52.252 53.050 -0.085 0.000 0.946 376 N CB 0.582 39.086 38.487 0.028 0.000 1.149 376 N HN 0.532 nan 8.380 nan 0.000 0.600 377 Y N -0.207 120.098 120.300 0.008 0.000 2.395 377 Y HA -0.006 4.544 4.550 0.001 0.000 0.293 377 Y C 2.754 178.656 175.900 0.004 0.000 1.123 377 Y CA 0.809 58.913 58.100 0.007 0.000 1.227 377 Y CB 0.086 38.552 38.460 0.011 0.000 1.012 377 Y HN 0.479 nan 8.280 nan 0.000 0.552 378 S N 0.483 116.266 115.700 0.138 0.000 2.345 378 S HA -0.165 4.306 4.470 0.001 0.000 0.219 378 S C 1.868 176.493 174.600 0.042 0.000 1.031 378 S CA 1.455 59.702 58.200 0.078 0.000 0.984 378 S CB -0.456 62.780 63.200 0.059 0.000 0.874 378 S HN 0.664 nan 8.310 nan 0.000 0.451 379 N N 2.126 120.839 118.700 0.022 0.000 2.270 379 N HA -0.063 4.678 4.740 0.001 0.000 0.181 379 N C 1.584 177.090 175.510 -0.006 0.000 1.016 379 N CA 1.610 54.663 53.050 0.005 0.000 0.870 379 N CB -0.880 37.606 38.487 -0.002 0.000 0.979 379 N HN 0.461 nan 8.380 nan 0.000 0.431 380 S N 1.265 116.951 115.700 -0.023 0.000 2.345 380 S HA 0.008 4.479 4.470 0.001 0.000 0.220 380 S C 2.055 176.649 174.600 -0.012 0.000 1.031 380 S CA 0.664 58.841 58.200 -0.039 0.000 0.996 380 S CB -0.984 62.163 63.200 -0.089 0.000 0.882 380 S HN 0.269 nan 8.310 nan 0.000 0.445 381 L N 1.712 122.946 121.223 0.018 0.000 2.291 381 L HA 0.120 4.460 4.340 0.001 0.000 0.214 381 L C 2.883 179.776 176.870 0.038 0.000 1.120 381 L CA 0.708 55.572 54.840 0.039 0.000 0.799 381 L CB -1.067 41.038 42.059 0.078 0.000 0.925 381 L HN 0.547 nan 8.230 nan 0.000 0.446 382 G N -0.070 108.750 108.800 0.032 0.000 2.450 382 G HA2 -0.200 3.760 3.960 0.001 0.000 0.220 382 G HA3 -0.200 3.760 3.960 0.001 0.000 0.220 382 G C 1.572 176.493 174.900 0.035 0.000 1.130 382 G CA 0.921 46.039 45.100 0.031 0.000 0.760 382 G HN 0.207 nan 8.290 nan 0.000 0.557 383 V N 0.495 120.424 119.914 0.026 0.000 2.307 383 V HA -0.160 3.961 4.120 0.001 0.000 0.245 383 V C 3.015 179.147 176.094 0.063 0.000 1.045 383 V CA 1.503 63.822 62.300 0.032 0.000 1.024 383 V CB -0.344 31.477 31.823 -0.003 0.000 0.651 383 V HN 0.262 nan 8.190 nan 0.000 0.449 384 V N 0.275 120.216 119.914 0.045 0.000 2.407 384 V HA -0.258 3.862 4.120 0.001 0.000 0.248 384 V C 2.544 178.713 176.094 0.124 0.000 1.055 384 V CA 2.301 64.645 62.300 0.073 0.000 1.049 384 V CB -0.882 30.963 31.823 0.036 0.000 0.662 384 V HN 0.532 nan 8.190 nan 0.000 0.455 385 R N 0.434 120.985 120.500 0.085 0.000 2.082 385 R HA -0.223 4.118 4.340 0.001 0.000 0.234 385 R C 2.070 178.417 176.300 0.078 0.000 1.136 385 R CA 2.390 58.534 56.100 0.073 0.000 0.935 385 R CB -0.508 29.821 30.300 0.049 0.000 0.842 385 R HN 0.471 nan 8.270 nan 0.000 0.430 386 D N -0.173 120.274 120.400 0.078 0.000 2.123 386 D HA -0.189 4.451 4.640 0.001 0.000 0.196 386 D C 1.646 177.993 176.300 0.078 0.000 0.992 386 D CA 1.156 55.195 54.000 0.065 0.000 0.833 386 D CB -0.366 40.472 40.800 0.062 0.000 0.954 386 D HN 0.226 nan 8.370 nan 0.000 0.455 387 F N 0.963 120.911 119.950 -0.004 0.000 2.102 387 F HA -0.182 4.345 4.527 0.001 0.000 0.298 387 F C 2.270 178.070 175.800 0.001 0.000 1.105 387 F CA 1.167 59.164 58.000 -0.005 0.000 1.239 387 F CB -0.065 38.927 39.000 -0.013 0.000 0.991 387 F HN -0.181 nan 8.300 nan 0.000 0.474 388 M N -0.132 119.559 119.600 0.152 0.000 2.296 388 M HA -0.148 4.332 4.480 0.001 0.000 0.265 388 M C 2.259 178.542 176.300 -0.028 0.000 1.064 388 M CA 1.294 56.632 55.300 0.064 0.000 1.109 388 M CB -1.286 31.383 32.600 0.116 0.000 1.396 388 M HN 0.271 nan 8.290 nan 0.000 0.430 389 L N -0.614 120.594 121.223 -0.025 0.000 2.093 389 L HA -0.128 4.212 4.340 0.001 0.000 0.208 389 L C 2.500 179.318 176.870 -0.086 0.000 1.085 389 L CA 1.039 55.857 54.840 -0.036 0.000 0.755 389 L CB -0.681 41.369 42.059 -0.015 0.000 0.904 389 L HN 0.244 nan 8.230 nan 0.000 0.435 390 A N -0.478 122.248 122.820 -0.156 0.000 2.072 390 A HA -0.010 4.310 4.320 0.001 0.000 0.216 390 A C 0.584 178.005 177.584 -0.272 0.000 1.156 390 A CA 0.650 52.566 52.037 -0.202 0.000 0.701 390 A CB -0.237 18.625 19.000 -0.230 0.000 0.816 390 A HN 0.465 nan 8.150 nan 0.000 0.458 391 N N -0.290 118.195 118.700 -0.359 0.000 2.765 391 N HA 0.231 4.972 4.740 0.001 0.000 0.277 391 N C -2.431 172.993 175.510 -0.143 0.000 1.750 391 N CA -1.062 51.792 53.050 -0.327 0.000 0.827 391 N CB 1.519 39.612 38.487 -0.657 0.000 1.200 391 N HN 0.153 nan 8.380 nan 0.000 0.494 392 P HA -0.065 nan 4.420 nan 0.000 0.229 392 P C 0.008 177.308 177.300 -0.000 0.000 1.160 392 P CA 0.970 64.056 63.100 -0.024 0.000 0.777 392 P CB 0.398 32.087 31.700 -0.019 0.000 0.814 393 D N 0.368 120.764 120.400 -0.007 0.000 3.085 393 D HA 0.249 4.890 4.640 0.001 0.000 0.243 393 D C -0.209 176.108 176.300 0.028 0.000 1.232 393 D CA -0.099 53.906 54.000 0.008 0.000 0.913 393 D CB -1.070 39.730 40.800 0.000 0.000 1.108 393 D HN 0.152 nan 8.370 nan 0.000 0.468 394 I N -0.001 120.597 120.570 0.045 0.000 2.619 394 I HA 0.172 4.343 4.170 0.001 0.000 0.292 394 I C 0.079 176.239 176.117 0.071 0.000 1.100 394 I CA -0.838 60.505 61.300 0.072 0.000 1.043 394 I CB 2.237 40.309 38.000 0.121 0.000 1.239 394 I HN -0.231 nan 8.210 nan 0.000 0.420 395 S N 5.629 121.370 115.700 0.068 0.000 2.548 395 S HA 0.358 4.828 4.470 0.001 0.000 0.277 395 S C -0.475 174.173 174.600 0.080 0.000 1.315 395 S CA -0.359 57.882 58.200 0.068 0.000 1.050 395 S CB 0.809 64.043 63.200 0.057 0.000 0.918 395 S HN 0.306 nan 8.310 nan 0.000 0.497 396 L N 5.558 126.831 121.223 0.084 0.000 2.324 396 L HA 0.483 4.824 4.340 0.001 0.000 0.274 396 L C -0.902 176.025 176.870 0.095 0.000 1.012 396 L CA -0.436 54.456 54.840 0.086 0.000 0.859 396 L CB 0.886 42.996 42.059 0.084 0.000 1.224 396 L HN 0.386 nan 8.230 nan 0.000 0.429 397 V N 5.290 125.263 119.914 0.099 0.000 2.546 397 V HA 0.453 4.573 4.120 0.001 0.000 0.284 397 V C 0.017 176.159 176.094 0.081 0.000 1.050 397 V CA -0.508 61.866 62.300 0.123 0.000 0.981 397 V CB 1.675 33.583 31.823 0.143 0.000 0.990 397 V HN 0.826 nan 8.190 nan 0.000 0.474 398 N N 3.161 121.903 118.700 0.069 0.000 2.455 398 N HA 0.480 5.220 4.740 0.001 0.000 0.285 398 N C -1.384 174.130 175.510 0.006 0.000 1.080 398 N CA -0.614 52.460 53.050 0.041 0.000 0.932 398 N CB 2.000 40.517 38.487 0.051 0.000 1.610 398 N HN 0.926 nan 8.380 nan 0.000 0.493 399 E N 1.737 121.933 120.200 -0.006 0.000 2.390 399 E HA 0.762 5.113 4.350 0.001 0.000 0.280 399 E C -0.390 176.209 176.600 -0.003 0.000 0.992 399 E CA -1.181 55.197 56.400 -0.036 0.000 0.790 399 E CB 1.583 31.213 29.700 -0.117 0.000 1.248 399 E HN 0.707 nan 8.360 nan 0.000 0.447 400 G N -0.117 108.681 108.800 -0.004 0.000 2.340 400 G HA2 0.396 4.357 3.960 0.001 0.000 0.282 400 G HA3 0.396 4.357 3.960 0.001 0.000 0.282 400 G C -0.315 174.616 174.900 0.052 0.000 1.312 400 G CA -0.015 45.106 45.100 0.035 0.000 0.942 400 G HN 0.885 nan 8.290 nan 0.000 0.495 401 A N -0.784 122.091 122.820 0.091 0.000 2.453 401 A HA 0.427 4.748 4.320 0.001 0.000 0.225 401 A C 1.907 179.486 177.584 -0.007 0.000 2.127 401 A CA 1.275 53.372 52.037 0.100 0.000 0.864 401 A CB -0.568 18.600 19.000 0.279 0.000 1.440 401 A HN 0.614 nan 8.150 nan 0.000 0.566 402 N N 0.838 119.492 118.700 -0.077 0.000 2.104 402 N HA -0.158 4.583 4.740 0.001 0.000 0.190 402 N C 1.869 177.179 175.510 -0.334 0.000 1.024 402 N CA 1.502 54.324 53.050 -0.381 0.000 0.853 402 N CB -0.349 37.665 38.487 -0.788 0.000 1.008 402 N HN 0.490 nan 8.380 nan 0.000 0.424 403 A N 1.151 123.951 122.820 -0.032 0.000 2.019 403 A HA -0.094 4.226 4.320 0.001 0.000 0.219 403 A C 2.210 179.831 177.584 0.062 0.000 1.164 403 A CA 0.856 52.979 52.037 0.143 0.000 0.644 403 A CB -0.409 18.704 19.000 0.188 0.000 0.805 403 A HN 0.220 nan 8.150 nan 0.000 0.449 404 L N -0.242 120.995 121.223 0.023 0.000 2.034 404 L HA -0.028 4.313 4.340 0.001 0.000 0.203 404 L C 1.676 178.548 176.870 0.003 0.000 1.074 404 L CA 2.333 57.185 54.840 0.020 0.000 0.748 404 L CB -0.585 41.487 42.059 0.023 0.000 0.905 404 L HN 0.281 nan 8.230 nan 0.000 0.439 405 D N -0.185 120.200 120.400 -0.026 0.000 2.117 405 D HA -0.171 4.469 4.640 0.001 0.000 0.197 405 D C 1.824 178.101 176.300 -0.038 0.000 0.987 405 D CA 1.235 55.213 54.000 -0.036 0.000 0.829 405 D CB -0.305 40.461 40.800 -0.058 0.000 0.961 405 D HN 0.427 nan 8.370 nan 0.000 0.460 406 N N 0.073 118.738 118.700 -0.057 0.000 2.270 406 N HA -0.061 4.679 4.740 0.001 0.000 0.181 406 N C 1.747 177.275 175.510 0.030 0.000 1.016 406 N CA 0.810 53.849 53.050 -0.019 0.000 0.870 406 N CB -0.219 38.256 38.487 -0.020 0.000 0.979 406 N HN 0.161 nan 8.380 nan 0.000 0.431 407 T N 1.045 115.625 114.554 0.042 0.000 2.777 407 T HA -0.078 4.272 4.350 0.001 0.000 0.266 407 T C 1.963 176.685 174.700 0.036 0.000 1.040 407 T CA 0.701 62.831 62.100 0.051 0.000 1.141 407 T CB 0.066 68.968 68.868 0.057 0.000 0.868 407 T HN 0.252 nan 8.240 nan 0.000 0.444 408 R N 0.505 121.020 120.500 0.025 0.000 2.091 408 R HA -0.054 4.286 4.340 0.001 0.000 0.238 408 R C 2.483 178.789 176.300 0.011 0.000 1.136 408 R CA 1.503 57.614 56.100 0.018 0.000 0.959 408 R CB -0.301 30.003 30.300 0.007 0.000 0.856 408 R HN 0.388 nan 8.270 nan 0.000 0.437 409 M N -0.212 119.390 119.600 0.004 0.000 2.156 409 M HA -0.090 4.390 4.480 0.001 0.000 0.264 409 M C 1.786 178.090 176.300 0.007 0.000 1.067 409 M CA 1.640 56.938 55.300 -0.003 0.000 1.131 409 M CB 0.133 32.726 32.600 -0.011 0.000 1.368 409 M HN 0.197 nan 8.290 nan 0.000 0.416 410 I N -0.553 120.030 120.570 0.020 0.000 2.494 410 I HA -0.032 4.138 4.170 0.001 0.000 0.250 410 I C 0.313 176.450 176.117 0.033 0.000 1.112 410 I CA 0.025 61.341 61.300 0.027 0.000 1.438 410 I CB 0.446 38.470 38.000 0.040 0.000 1.111 410 I HN -0.084 nan 8.210 nan 0.000 0.431 411 V N 2.969 122.907 119.914 0.041 0.000 2.356 411 V HA 0.086 4.206 4.120 0.001 0.000 0.258 411 V C -0.653 175.470 176.094 0.047 0.000 1.065 411 V CA -0.396 61.934 62.300 0.050 0.000 0.935 411 V CB 0.034 31.893 31.823 0.059 0.000 1.061 411 V HN 0.128 nan 8.190 nan 0.000 0.484 412 D N 5.466 125.892 120.400 0.044 0.000 2.390 412 D HA 0.257 4.898 4.640 0.001 0.000 0.249 412 D C 0.079 176.411 176.300 0.052 0.000 1.144 412 D CA 0.136 54.163 54.000 0.045 0.000 0.880 412 D CB 0.864 41.687 40.800 0.038 0.000 1.182 412 D HN 0.226 nan 8.370 nan 0.000 0.451 413 M N 2.879 122.515 119.600 0.060 0.000 2.129 413 M HA 0.212 4.693 4.480 0.001 0.000 0.348 413 M C 0.874 177.212 176.300 0.063 0.000 1.116 413 M CA -0.347 54.990 55.300 0.062 0.000 1.022 413 M CB 1.415 34.056 32.600 0.069 0.000 1.599 413 M HN 0.306 nan 8.290 nan 0.000 0.449 414 L N 0.988 122.240 121.223 0.049 0.000 2.416 414 L HA 0.150 4.491 4.340 0.001 0.000 0.216 414 L C 0.631 177.525 176.870 0.040 0.000 1.098 414 L CA 0.691 55.559 54.840 0.046 0.000 0.840 414 L CB 0.053 42.129 42.059 0.028 0.000 0.981 414 L HN 0.626 nan 8.230 nan 0.000 0.462 415 K N 0.056 120.477 120.400 0.035 0.000 2.328 415 K HA 0.439 4.760 4.320 0.001 0.000 0.246 415 K C -2.541 174.077 176.600 0.029 0.000 0.955 415 K CA -1.927 54.374 56.287 0.024 0.000 0.817 415 K CB 2.036 34.545 32.500 0.015 0.000 1.208 415 K HN -0.294 nan 8.250 nan 0.000 0.432 416 P HA 0.216 nan 4.420 nan 0.000 0.277 416 P C -0.994 176.313 177.300 0.012 0.000 1.240 416 P CA -0.364 62.745 63.100 0.014 0.000 0.798 416 P CB 0.606 32.294 31.700 -0.019 0.000 0.979 417 R N -0.399 120.130 120.500 0.049 0.000 3.758 417 R HA -0.180 4.160 4.340 0.001 0.000 0.299 417 R C 0.767 177.122 176.300 0.091 0.000 1.182 417 R CA 0.619 56.759 56.100 0.066 0.000 0.809 417 R CB -1.235 28.980 30.300 -0.142 0.000 1.249 417 R HN 0.473 nan 8.270 nan 0.000 0.497 418 K N 0.374 120.828 120.400 0.090 0.000 2.287 418 K HA 0.070 4.391 4.320 0.001 0.000 0.199 418 K C 0.942 177.597 176.600 0.092 0.000 1.061 418 K CA 0.240 56.572 56.287 0.076 0.000 0.976 418 K CB 0.189 32.725 32.500 0.060 0.000 0.898 418 K HN 0.215 nan 8.250 nan 0.000 0.492 419 R N 1.747 122.309 120.500 0.104 0.000 2.267 419 R HA 0.231 4.571 4.340 0.001 0.000 0.319 419 R C -0.858 175.499 176.300 0.095 0.000 1.067 419 R CA -0.003 56.155 56.100 0.097 0.000 0.936 419 R CB 0.094 30.447 30.300 0.088 0.000 1.006 419 R HN -0.053 nan 8.270 nan 0.000 0.452 420 L N 5.631 126.918 121.223 0.105 0.000 2.377 420 L HA 0.386 4.726 4.340 0.001 0.000 0.270 420 L C -0.834 176.187 176.870 0.252 0.000 0.991 420 L CA -0.884 54.035 54.840 0.132 0.000 0.851 420 L CB 1.396 43.510 42.059 0.093 0.000 1.218 420 L HN 0.771 nan 8.230 nan 0.000 0.420 421 D N 0.038 120.568 120.400 0.217 0.000 2.758 421 D HA 0.302 4.943 4.640 0.001 0.000 0.262 421 D C 0.680 177.048 176.300 0.112 0.000 1.113 421 D CA -0.689 53.391 54.000 0.132 0.000 1.114 421 D CB 0.845 41.690 40.800 0.075 0.000 1.363 421 D HN 0.082 nan 8.370 nan 0.000 0.617 422 S N -1.151 114.565 115.700 0.026 0.000 2.442 422 S HA 0.281 4.752 4.470 0.001 0.000 0.236 422 S C 1.333 175.997 174.600 0.106 0.000 1.007 422 S CA 0.824 59.018 58.200 -0.011 0.000 0.965 422 S CB -1.087 62.102 63.200 -0.018 0.000 0.773 422 S HN 0.978 nan 8.310 nan 0.000 0.504 423 G N 0.971 109.845 108.800 0.123 0.000 2.598 423 G HA2 -0.324 3.636 3.960 0.001 0.000 0.244 423 G HA3 -0.324 3.636 3.960 0.001 0.000 0.244 423 G C 0.691 175.669 174.900 0.130 0.000 1.302 423 G CA 0.231 45.390 45.100 0.098 0.000 0.903 423 G HN 0.232 nan 8.290 nan 0.000 0.575 424 T N -0.312 114.264 114.554 0.036 0.000 2.788 424 T HA -0.064 4.286 4.350 0.001 0.000 0.268 424 T C 1.584 176.539 174.700 0.426 0.000 1.044 424 T CA 2.262 64.442 62.100 0.132 0.000 1.139 424 T CB -0.137 68.658 68.868 -0.122 0.000 0.867 424 T HN 0.420 nan 8.240 nan 0.000 0.454 425 W N 1.162 122.551 121.300 0.149 0.000 3.290 425 W HA 0.456 5.116 4.660 0.001 0.000 0.287 425 W C 1.494 178.035 176.519 0.037 0.000 1.288 425 W CA -0.698 56.692 57.345 0.076 0.000 1.725 425 W CB -1.014 28.474 29.460 0.046 0.000 1.103 425 W HN 0.378 nan 8.180 nan 0.000 0.670 426 G N 1.744 110.738 108.800 0.323 0.000 2.395 426 G HA2 -0.272 3.689 3.960 0.001 0.000 0.300 426 G HA3 -0.272 3.689 3.960 0.001 0.000 0.300 426 G C 0.036 174.946 174.900 0.016 0.000 0.998 426 G CA 0.156 45.361 45.100 0.176 0.000 1.046 426 G HN -0.014 nan 8.290 nan 0.000 0.513 427 V N 2.330 122.240 119.914 -0.007 0.000 2.479 427 V HA 0.218 4.338 4.120 0.001 0.000 0.281 427 V C 1.049 176.925 176.094 -0.363 0.000 1.031 427 V CA -0.028 62.158 62.300 -0.190 0.000 1.038 427 V CB 0.996 32.661 31.823 -0.262 0.000 0.981 427 V HN 0.442 nan 8.190 nan 0.000 0.478 428 M N 4.339 123.629 119.600 -0.517 0.000 2.162 428 M HA 0.456 4.936 4.480 0.001 0.000 0.356 428 M C 1.097 176.938 176.300 -0.765 0.000 1.303 428 M CA 0.394 55.249 55.300 -0.741 0.000 1.116 428 M CB 0.152 32.003 32.600 -1.248 0.000 1.632 428 M HN 0.952 nan 8.290 nan 0.000 0.469 429 G N 2.977 111.507 108.800 -0.450 0.000 2.485 429 G HA2 -0.189 3.772 3.960 0.001 0.000 0.181 429 G HA3 -0.189 3.772 3.960 0.001 0.000 0.181 429 G C 0.410 175.095 174.900 -0.358 0.000 0.999 429 G CA 0.158 45.157 45.100 -0.168 0.000 0.721 429 G HN 0.681 nan 8.290 nan 0.000 0.486 430 I N 0.732 120.834 120.570 -0.779 0.000 2.928 430 I HA 0.413 4.583 4.170 0.001 0.000 0.266 430 I C 2.241 177.959 176.117 -0.665 0.000 1.234 430 I CA 1.411 62.039 61.300 -1.120 0.000 1.483 430 I CB -0.923 36.042 38.000 -1.725 0.000 1.097 430 I HN 0.139 nan 8.210 nan 0.000 0.455 431 G N 1.550 110.135 108.800 -0.358 0.000 2.587 431 G HA2 -0.200 3.760 3.960 0.001 0.000 0.217 431 G HA3 -0.200 3.760 3.960 0.001 0.000 0.217 431 G C 1.456 176.353 174.900 -0.005 0.000 1.240 431 G CA 1.400 46.416 45.100 -0.140 0.000 0.794 431 G HN 0.301 nan 8.290 nan 0.000 0.580 432 M N 1.128 120.717 119.600 -0.019 0.000 2.175 432 M HA 0.063 4.543 4.480 0.001 0.000 0.264 432 M C 2.847 179.246 176.300 0.166 0.000 1.063 432 M CA 1.127 56.460 55.300 0.056 0.000 1.119 432 M CB -1.768 30.817 32.600 -0.025 0.000 1.377 432 M HN 0.292 nan 8.290 nan 0.000 0.415 433 G N -0.726 108.201 108.800 0.212 0.000 2.421 433 G HA2 -0.241 3.719 3.960 0.001 0.000 0.216 433 G HA3 -0.241 3.719 3.960 0.001 0.000 0.216 433 G C 1.361 176.445 174.900 0.307 0.000 1.171 433 G CA 0.558 45.863 45.100 0.342 0.000 0.775 433 G HN 0.289 nan 8.290 nan 0.000 0.543 434 Y N 0.655 120.984 120.300 0.049 0.000 2.207 434 Y HA -0.124 4.426 4.550 0.001 0.000 0.287 434 Y C 3.162 179.070 175.900 0.013 0.000 1.156 434 Y CA 0.060 58.166 58.100 0.009 0.000 1.182 434 Y CB -1.065 37.394 38.460 -0.001 0.000 0.979 434 Y HN 0.226 nan 8.280 nan 0.000 0.521 435 C N -1.260 118.161 119.300 0.201 0.000 2.432 435 C HA -0.138 4.323 4.460 0.001 0.000 0.277 435 C C 2.870 177.906 174.990 0.076 0.000 1.249 435 C CA 0.974 60.066 59.018 0.123 0.000 1.725 435 C CB -1.229 26.580 27.740 0.115 0.000 2.028 435 C HN 0.328 nan 8.230 nan 0.000 0.477 436 V N 1.348 121.313 119.914 0.085 0.000 2.295 436 V HA -0.203 3.918 4.120 0.001 0.000 0.246 436 V C 2.711 178.758 176.094 -0.078 0.000 1.049 436 V CA 2.277 64.575 62.300 -0.003 0.000 1.024 436 V CB -1.329 30.515 31.823 0.033 0.000 0.648 436 V HN 0.599 nan 8.190 nan 0.000 0.447 437 A N 0.019 122.793 122.820 -0.076 0.000 1.877 437 A HA -0.118 4.203 4.320 0.001 0.000 0.216 437 A C 2.438 179.993 177.584 -0.048 0.000 1.186 437 A CA 2.172 54.126 52.037 -0.139 0.000 0.620 437 A CB -0.883 17.923 19.000 -0.324 0.000 0.822 437 A HN 0.571 nan 8.150 nan 0.000 0.443 438 A N -0.087 122.711 122.820 -0.037 0.000 1.883 438 A HA 0.113 4.434 4.320 0.001 0.000 0.217 438 A C 2.535 180.125 177.584 0.010 0.000 1.186 438 A CA 2.326 54.356 52.037 -0.011 0.000 0.624 438 A CB -1.120 17.886 19.000 0.010 0.000 0.822 438 A HN 1.108 nan 8.150 nan 0.000 0.444 439 A N -0.188 122.640 122.820 0.013 0.000 1.883 439 A HA 0.116 4.437 4.320 0.001 0.000 0.217 439 A C 2.532 180.130 177.584 0.023 0.000 1.186 439 A CA 2.345 54.397 52.037 0.025 0.000 0.624 439 A CB -1.086 17.932 19.000 0.030 0.000 0.822 439 A HN 1.102 nan 8.150 nan 0.000 0.444 440 A N -0.270 122.539 122.820 -0.019 0.000 1.877 440 A HA 0.003 4.324 4.320 0.001 0.000 0.216 440 A C 2.332 179.962 177.584 0.077 0.000 1.186 440 A CA 2.330 54.376 52.037 0.015 0.000 0.620 440 A CB -1.128 17.794 19.000 -0.131 0.000 0.822 440 A HN 1.213 nan 8.150 nan 0.000 0.443 441 V N -2.203 117.751 119.914 0.066 0.000 2.788 441 V HA -0.051 4.069 4.120 0.001 0.000 0.251 441 V C 2.190 178.307 176.094 0.038 0.000 1.068 441 V CA 2.256 64.594 62.300 0.065 0.000 1.090 441 V CB -1.164 30.694 31.823 0.060 0.000 0.710 441 V HN 0.659 nan 8.190 nan 0.000 0.467 442 T N -2.948 111.624 114.554 0.030 0.000 3.031 442 T HA 0.305 4.655 4.350 0.001 0.000 0.254 442 T C 1.858 176.577 174.700 0.032 0.000 1.060 442 T CA 1.008 63.121 62.100 0.023 0.000 1.135 442 T CB -0.169 68.710 68.868 0.019 0.000 0.896 442 T HN 1.645 nan 8.240 nan 0.000 0.472 443 G N 1.661 110.487 108.800 0.044 0.000 2.203 443 G HA2 -0.254 3.706 3.960 0.001 0.000 0.263 443 G HA3 -0.254 3.706 3.960 0.001 0.000 0.263 443 G C -0.090 174.838 174.900 0.046 0.000 1.012 443 G CA 0.699 45.828 45.100 0.050 0.000 0.749 443 G HN 0.739 nan 8.290 nan 0.000 0.512 444 K N -0.418 120.009 120.400 0.045 0.000 2.395 444 K HA 0.596 4.916 4.320 0.001 0.000 0.245 444 K C -2.676 173.958 176.600 0.057 0.000 1.017 444 K CA -2.345 53.971 56.287 0.047 0.000 0.852 444 K CB 1.888 34.411 32.500 0.038 0.000 1.311 444 K HN -0.067 nan 8.250 nan 0.000 0.452 445 P HA 0.100 nan 4.420 nan 0.000 0.272 445 P C -1.124 176.222 177.300 0.075 0.000 1.230 445 P CA -0.432 62.714 63.100 0.076 0.000 0.788 445 P CB 0.559 32.317 31.700 0.097 0.000 0.949 446 V N 2.549 122.507 119.914 0.072 0.000 2.656 446 V HA 0.449 4.569 4.120 0.001 0.000 0.307 446 V C 0.035 176.166 176.094 0.061 0.000 1.051 446 V CA -0.498 61.844 62.300 0.070 0.000 0.893 446 V CB 1.854 33.718 31.823 0.068 0.000 0.999 446 V HN 0.359 nan 8.190 nan 0.000 0.426 447 I N 3.132 123.739 120.570 0.062 0.000 2.433 447 I HA 0.760 4.930 4.170 0.001 0.000 0.292 447 I C 0.154 176.296 176.117 0.042 0.000 1.001 447 I CA -0.599 60.720 61.300 0.031 0.000 1.119 447 I CB 1.976 39.988 38.000 0.021 0.000 1.289 447 I HN 0.714 nan 8.210 nan 0.000 0.438 448 A N 6.360 129.197 122.820 0.028 0.000 2.303 448 A HA 0.702 5.023 4.320 0.001 0.000 0.320 448 A C -0.691 176.899 177.584 0.010 0.000 1.192 448 A CA -0.487 51.573 52.037 0.038 0.000 0.821 448 A CB 1.081 20.117 19.000 0.059 0.000 1.188 448 A HN 0.446 nan 8.150 nan 0.000 0.492 449 V N 4.231 124.158 119.914 0.021 0.000 2.318 449 V HA 0.296 4.416 4.120 0.001 0.000 0.271 449 V C -0.359 175.747 176.094 0.021 0.000 1.030 449 V CA -0.320 61.987 62.300 0.011 0.000 0.844 449 V CB 0.742 32.582 31.823 0.029 0.000 1.015 449 V HN 0.852 nan 8.190 nan 0.000 0.460 450 E N 3.352 123.552 120.200 0.000 0.000 2.158 450 E HA 0.436 4.786 4.350 0.001 0.000 0.271 450 E C 0.440 177.050 176.600 0.016 0.000 0.911 450 E CA -0.342 56.070 56.400 0.021 0.000 0.767 450 E CB 2.366 32.089 29.700 0.038 0.000 1.120 450 E HN 0.710 nan 8.360 nan 0.000 0.405 451 G N 2.148 110.982 108.800 0.057 0.000 2.491 451 G HA2 -0.045 3.915 3.960 0.001 0.000 0.238 451 G HA3 -0.045 3.915 3.960 0.001 0.000 0.238 451 G C 0.798 175.729 174.900 0.052 0.000 1.277 451 G CA -0.234 44.911 45.100 0.076 0.000 0.851 451 G HN 0.504 nan 8.290 nan 0.000 0.573 452 D N 0.603 121.017 120.400 0.025 0.000 2.144 452 D HA -0.177 4.463 4.640 0.001 0.000 0.200 452 D C 2.196 178.565 176.300 0.115 0.000 0.978 452 D CA 1.424 55.415 54.000 -0.015 0.000 0.833 452 D CB -0.613 40.178 40.800 -0.015 0.000 0.961 452 D HN 0.357 nan 8.370 nan 0.000 0.470 453 S N 0.507 116.279 115.700 0.120 0.000 2.348 453 S HA -0.104 4.366 4.470 0.001 0.000 0.221 453 S C 2.233 177.012 174.600 0.299 0.000 1.033 453 S CA 1.917 60.213 58.200 0.160 0.000 1.010 453 S CB -0.713 62.555 63.200 0.113 0.000 0.891 453 S HN 0.419 nan 8.310 nan 0.000 0.442 454 A N 1.063 124.024 122.820 0.235 0.000 1.896 454 A HA -0.163 4.157 4.320 0.001 0.000 0.220 454 A C 2.060 179.796 177.584 0.254 0.000 1.206 454 A CA 2.158 54.311 52.037 0.194 0.000 0.647 454 A CB -1.442 17.592 19.000 0.057 0.000 0.828 454 A HN 0.749 nan 8.150 nan 0.000 0.455 455 F N 1.216 121.191 119.950 0.042 0.000 2.161 455 F HA -0.054 4.473 4.527 0.001 0.000 0.300 455 F C 2.242 178.061 175.800 0.032 0.000 1.089 455 F CA 1.565 59.554 58.000 -0.019 0.000 1.282 455 F CB -0.722 38.185 39.000 -0.155 0.000 1.010 455 F HN 0.186 nan 8.300 nan 0.000 0.485 456 G N -0.790 108.001 108.800 -0.016 0.000 2.470 456 G HA2 -0.269 3.691 3.960 0.001 0.000 0.220 456 G HA3 -0.269 3.691 3.960 0.001 0.000 0.220 456 G C 1.444 176.178 174.900 -0.277 0.000 1.121 456 G CA 0.693 45.690 45.100 -0.173 0.000 0.766 456 G HN 0.423 nan 8.290 nan 0.000 0.553 457 F N 1.325 121.163 119.950 -0.187 0.000 2.407 457 F HA 0.056 4.583 4.527 0.001 0.000 0.299 457 F C 2.523 178.220 175.800 -0.171 0.000 1.097 457 F CA 1.340 59.263 58.000 -0.129 0.000 1.422 457 F CB 0.349 39.300 39.000 -0.082 0.000 1.067 457 F HN 0.252 nan 8.300 nan 0.000 0.539 458 S N -1.959 113.584 115.700 -0.261 0.000 2.893 458 S HA 0.270 4.740 4.470 0.001 0.000 0.258 458 S C 1.798 176.020 174.600 -0.630 0.000 1.034 458 S CA 0.152 57.952 58.200 -0.667 0.000 1.167 458 S CB -0.298 62.462 63.200 -0.734 0.000 1.137 458 S HN 0.198 nan 8.310 nan 0.000 0.650 459 G N 2.286 110.612 108.800 -0.791 0.000 2.450 459 G HA2 -0.192 3.768 3.960 0.001 0.000 0.220 459 G HA3 -0.192 3.768 3.960 0.001 0.000 0.220 459 G C 1.205 175.906 174.900 -0.332 0.000 1.130 459 G CA 1.221 45.656 45.100 -1.108 0.000 0.760 459 G HN 0.488 nan 8.290 nan 0.000 0.557 460 M N 0.868 120.344 119.600 -0.206 0.000 2.346 460 M HA 0.018 4.499 4.480 0.001 0.000 0.263 460 M C 1.870 178.101 176.300 -0.116 0.000 1.064 460 M CA 0.920 56.168 55.300 -0.087 0.000 1.083 460 M CB -0.167 32.415 32.600 -0.030 0.000 1.399 460 M HN 0.084 nan 8.290 nan 0.000 0.435 461 E N -0.164 119.970 120.200 -0.109 0.000 2.516 461 E HA -0.062 4.289 4.350 0.001 0.000 0.199 461 E C 1.965 178.545 176.600 -0.033 0.000 1.069 461 E CA 0.431 56.805 56.400 -0.043 0.000 0.876 461 E CB -0.521 29.192 29.700 0.022 0.000 0.843 461 E HN 0.556 nan 8.360 nan 0.000 0.530 462 L N 1.035 122.261 121.223 0.005 0.000 2.089 462 L HA -0.230 4.111 4.340 0.001 0.000 0.213 462 L C 2.625 179.476 176.870 -0.032 0.000 1.079 462 L CA 1.422 56.313 54.840 0.085 0.000 0.758 462 L CB -0.379 41.828 42.059 0.248 0.000 0.891 462 L HN 0.135 nan 8.230 nan 0.000 0.433 463 E N -0.062 119.957 120.200 -0.301 0.000 2.110 463 E HA -0.189 4.161 4.350 0.001 0.000 0.193 463 E C 1.962 178.444 176.600 -0.196 0.000 0.988 463 E CA 1.903 58.020 56.400 -0.472 0.000 0.804 463 E CB 0.003 29.095 29.700 -1.013 0.000 0.745 463 E HN 0.448 nan 8.360 nan 0.000 0.458 464 T N 1.528 116.000 114.554 -0.137 0.000 2.708 464 T HA -0.116 4.235 4.350 0.001 0.000 0.266 464 T C 2.105 176.833 174.700 0.047 0.000 1.037 464 T CA 1.473 63.534 62.100 -0.065 0.000 1.146 464 T CB -0.228 68.546 68.868 -0.157 0.000 0.865 464 T HN 0.175 nan 8.240 nan 0.000 0.435 465 I N 0.715 121.309 120.570 0.040 0.000 2.208 465 I HA -0.208 3.962 4.170 0.001 0.000 0.245 465 I C 2.636 178.814 176.117 0.103 0.000 1.097 465 I CA 0.920 62.277 61.300 0.095 0.000 1.363 465 I CB -0.406 37.649 38.000 0.092 0.000 1.051 465 I HN 0.341 nan 8.210 nan 0.000 0.413 466 C N -0.021 119.321 119.300 0.069 0.000 2.446 466 C HA -0.124 4.337 4.460 0.001 0.000 0.277 466 C C 2.933 177.934 174.990 0.018 0.000 1.275 466 C CA 0.702 59.764 59.018 0.073 0.000 1.727 466 C CB -1.114 26.698 27.740 0.119 0.000 2.010 466 C HN 0.464 nan 8.230 nan 0.000 0.486 467 R N -0.274 120.181 120.500 -0.075 0.000 2.120 467 R HA -0.142 4.199 4.340 0.001 0.000 0.234 467 R C 1.216 177.308 176.300 -0.346 0.000 1.123 467 R CA 1.777 57.730 56.100 -0.246 0.000 0.975 467 R CB -0.268 29.791 30.300 -0.403 0.000 0.866 467 R HN 0.610 nan 8.270 nan 0.000 0.446 468 Y N 0.188 120.526 120.300 0.063 0.000 2.468 468 Y HA 0.206 4.757 4.550 0.001 0.000 0.268 468 Y C 0.277 176.234 175.900 0.096 0.000 1.177 468 Y CA -0.241 57.920 58.100 0.103 0.000 1.265 468 Y CB -0.029 38.551 38.460 0.200 0.000 1.103 468 Y HN 0.135 nan 8.280 nan 0.000 0.522 469 N N 0.965 119.756 118.700 0.152 0.000 2.725 469 N HA -0.212 4.528 4.740 0.001 0.000 0.251 469 N C -1.064 174.528 175.510 0.137 0.000 1.031 469 N CA 0.380 53.503 53.050 0.122 0.000 0.720 469 N CB -1.251 37.295 38.487 0.098 0.000 0.930 469 N HN 0.360 nan 8.380 nan 0.000 0.543 470 L N 0.331 121.643 121.223 0.149 0.000 2.371 470 L HA 0.382 4.722 4.340 0.001 0.000 0.272 470 L C -1.327 175.604 176.870 0.102 0.000 1.124 470 L CA -1.697 53.222 54.840 0.131 0.000 0.816 470 L CB 0.742 42.876 42.059 0.126 0.000 1.129 470 L HN 0.067 nan 8.230 nan 0.000 0.448 471 P HA 0.094 nan 4.420 nan 0.000 0.230 471 P C -0.736 176.607 177.300 0.072 0.000 1.791 471 P CA 0.069 63.217 63.100 0.079 0.000 1.020 471 P CB 0.024 31.770 31.700 0.076 0.000 1.977 472 V N 1.664 121.622 119.914 0.074 0.000 2.448 472 V HA 0.342 4.463 4.120 0.001 0.000 0.295 472 V C 0.452 176.577 176.094 0.053 0.000 1.025 472 V CA -0.161 62.178 62.300 0.066 0.000 0.859 472 V CB 2.077 33.947 31.823 0.078 0.000 0.988 472 V HN 0.146 nan 8.190 nan 0.000 0.431 473 T N 4.378 118.946 114.554 0.023 0.000 2.788 473 T HA 0.446 4.797 4.350 0.001 0.000 0.296 473 T C -0.258 174.430 174.700 -0.020 0.000 1.009 473 T CA -0.306 61.785 62.100 -0.015 0.000 0.949 473 T CB 1.256 70.071 68.868 -0.088 0.000 0.946 473 T HN 0.345 nan 8.240 nan 0.000 0.453 474 V N 5.730 125.637 119.914 -0.011 0.000 2.385 474 V HA 0.394 4.514 4.120 0.001 0.000 0.269 474 V C 0.200 176.235 176.094 -0.099 0.000 1.043 474 V CA -0.676 61.604 62.300 -0.033 0.000 0.906 474 V CB 0.653 32.470 31.823 -0.010 0.000 0.995 474 V HN 0.794 nan 8.190 nan 0.000 0.467 475 I N 6.063 126.569 120.570 -0.106 0.000 2.312 475 I HA 0.355 4.525 4.170 0.001 0.000 0.290 475 I C -0.410 175.605 176.117 -0.168 0.000 1.008 475 I CA -0.411 60.811 61.300 -0.130 0.000 1.226 475 I CB 1.229 39.165 38.000 -0.105 0.000 1.371 475 I HN 0.345 nan 8.210 nan 0.000 0.468 476 I N 7.264 127.692 120.570 -0.238 0.000 2.312 476 I HA 0.204 4.374 4.170 0.001 0.000 0.291 476 I C 0.291 176.296 176.117 -0.187 0.000 1.031 476 I CA -0.561 60.546 61.300 -0.321 0.000 1.293 476 I CB 1.231 38.887 38.000 -0.572 0.000 1.403 476 I HN 0.492 nan 8.210 nan 0.000 0.484 477 M N 5.575 125.100 119.600 -0.126 0.000 3.011 477 M HA 0.080 4.561 4.480 0.001 0.000 0.292 477 M C 0.384 176.641 176.300 -0.071 0.000 1.440 477 M CA -0.087 55.162 55.300 -0.084 0.000 1.552 477 M CB -1.343 31.263 32.600 0.010 0.000 1.187 477 M HN 0.331 nan 8.290 nan 0.000 0.520 478 N N 3.442 122.097 118.700 -0.075 0.000 2.605 478 N HA 0.027 4.767 4.740 0.001 0.000 0.258 478 N C 0.485 175.995 175.510 0.000 0.000 1.156 478 N CA 0.071 53.116 53.050 -0.008 0.000 1.008 478 N CB 0.223 38.741 38.487 0.051 0.000 1.354 478 N HN 0.403 nan 8.380 nan 0.000 0.509 479 N N 2.059 120.771 118.700 0.020 0.000 2.236 479 N HA 0.086 4.826 4.740 0.001 0.000 0.196 479 N C 0.867 176.411 175.510 0.057 0.000 1.114 479 N CA 0.443 53.511 53.050 0.030 0.000 0.859 479 N CB -0.051 38.473 38.487 0.063 0.000 0.982 479 N HN 0.389 nan 8.380 nan 0.000 0.493 480 G N -1.395 107.448 108.800 0.072 0.000 2.137 480 G HA2 0.100 4.060 3.960 0.001 0.000 0.237 480 G HA3 0.100 4.060 3.960 0.001 0.000 0.237 480 G C 0.267 175.204 174.900 0.062 0.000 1.002 480 G CA 0.286 45.429 45.100 0.071 0.000 0.702 480 G HN 1.008 nan 8.290 nan 0.000 0.515 481 G N -1.461 107.378 108.800 0.064 0.000 2.317 481 G HA2 0.483 4.444 3.960 0.001 0.000 0.293 481 G HA3 0.483 4.444 3.960 0.001 0.000 0.293 481 G C -0.788 174.112 174.900 0.001 0.000 1.287 481 G CA -0.479 44.640 45.100 0.032 0.000 0.850 481 G HN 0.792 nan 8.290 nan 0.000 0.515 482 I N 1.940 122.452 120.570 -0.096 0.000 2.363 482 I HA 0.264 4.434 4.170 0.001 0.000 0.292 482 I C 0.877 176.790 176.117 -0.339 0.000 1.075 482 I CA 0.257 61.369 61.300 -0.313 0.000 1.333 482 I CB -0.238 37.481 38.000 -0.468 0.000 1.415 482 I HN 0.698 nan 8.210 nan 0.000 0.502 483 Y N 3.253 123.593 120.300 0.067 0.000 2.749 483 Y HA -0.363 4.188 4.550 0.001 0.000 0.482 483 Y C 0.583 176.532 175.900 0.083 0.000 1.210 483 Y CA 0.542 58.675 58.100 0.054 0.000 2.729 483 Y CB -1.395 37.083 38.460 0.030 0.000 0.974 483 Y HN 0.482 nan 8.280 nan 0.000 0.548 484 K N -0.650 119.881 120.400 0.218 0.000 2.480 484 K HA 0.708 5.028 4.320 0.001 0.000 0.258 484 K C 0.684 177.342 176.600 0.098 0.000 0.990 484 K CA -0.179 56.200 56.287 0.154 0.000 0.857 484 K CB 2.108 34.690 32.500 0.138 0.000 1.384 484 K HN 0.187 nan 8.250 nan 0.000 0.446 485 G N 0.750 109.599 108.800 0.081 0.000 3.651 485 G HA2 -0.013 3.947 3.960 0.001 0.000 0.279 485 G HA3 -0.013 3.947 3.960 0.001 0.000 0.279 485 G C 0.089 175.016 174.900 0.045 0.000 1.024 485 G CA -0.222 44.912 45.100 0.056 0.000 0.813 485 G HN 0.615 nan 8.290 nan 0.000 0.518 486 N N -0.374 118.355 118.700 0.049 0.000 2.241 486 N HA 0.063 4.804 4.740 0.001 0.000 0.238 486 N C -0.098 175.435 175.510 0.038 0.000 1.244 486 N CA -0.539 52.535 53.050 0.039 0.000 0.880 486 N CB 0.129 38.640 38.487 0.039 0.000 1.179 486 N HN 0.306 nan 8.380 nan 0.000 0.513 487 E N 1.197 121.422 120.200 0.041 0.000 2.417 487 E HA 0.344 4.695 4.350 0.001 0.000 0.261 487 E C -0.089 176.528 176.600 0.028 0.000 1.000 487 E CA -0.377 56.047 56.400 0.039 0.000 0.919 487 E CB 0.603 30.329 29.700 0.044 0.000 0.955 487 E HN 0.388 nan 8.360 nan 0.000 0.455 488 A N 4.829 127.664 122.820 0.025 0.000 2.483 488 A HA 0.009 4.329 4.320 0.001 0.000 0.238 488 A C -0.336 177.257 177.584 0.015 0.000 1.070 488 A CA -0.360 51.689 52.037 0.019 0.000 0.770 488 A CB 0.235 19.245 19.000 0.017 0.000 1.008 488 A HN 0.730 nan 8.150 nan 0.000 0.497 489 D N 3.239 123.646 120.400 0.012 0.000 2.520 489 D HA 0.106 4.746 4.640 0.001 0.000 0.243 489 D C -1.053 175.253 176.300 0.009 0.000 1.160 489 D CA -0.687 53.319 54.000 0.009 0.000 0.877 489 D CB 0.533 41.337 40.800 0.007 0.000 1.150 489 D HN 0.335 nan 8.370 nan 0.000 0.494 490 P HA -0.111 nan 4.420 nan 0.000 0.221 490 P C 0.091 177.395 177.300 0.006 0.000 1.150 490 P CA 0.994 64.099 63.100 0.008 0.000 0.800 490 P CB 0.683 32.388 31.700 0.008 0.000 0.787 491 Q N -1.231 118.572 119.800 0.005 0.000 2.456 491 Q HA 0.415 4.756 4.340 0.001 0.000 0.284 491 Q C -2.869 173.133 176.000 0.003 0.000 1.061 491 Q CA -2.588 53.217 55.803 0.004 0.000 0.799 491 Q CB 1.077 29.817 28.738 0.002 0.000 1.445 491 Q HN -0.096 nan 8.270 nan 0.000 0.411 492 P HA 0.045 nan 4.420 nan 0.000 0.260 492 P C 0.622 177.923 177.300 0.001 0.000 1.185 492 P CA 1.331 64.432 63.100 0.002 0.000 0.763 492 P CB 0.089 31.790 31.700 0.002 0.000 0.776 493 G N 1.698 110.499 108.800 0.001 0.000 2.162 493 G HA2 -0.208 3.753 3.960 0.001 0.000 0.260 493 G HA3 -0.208 3.753 3.960 0.001 0.000 0.260 493 G C -0.003 174.897 174.900 -0.000 0.000 0.976 493 G CA -0.109 44.991 45.100 -0.000 0.000 0.655 493 G HN 0.529 nan 8.290 nan 0.000 0.533 494 V N 1.614 121.529 119.914 0.001 0.000 2.384 494 V HA 0.576 4.696 4.120 0.001 0.000 0.287 494 V C 0.763 176.857 176.094 0.001 0.000 1.020 494 V CA -0.844 61.456 62.300 0.000 0.000 0.850 494 V CB 1.827 33.650 31.823 0.000 0.000 0.987 494 V HN 0.392 nan 8.190 nan 0.000 0.436 495 I N 3.630 124.200 120.570 0.000 0.000 2.575 495 I HA 0.232 4.403 4.170 0.001 0.000 0.285 495 I C 1.009 177.127 176.117 0.002 0.000 1.085 495 I CA 0.429 61.730 61.300 0.001 0.000 1.403 495 I CB 1.378 39.378 38.000 -0.001 0.000 1.409 495 I HN 0.767 nan 8.210 nan 0.000 0.557 496 S N 5.759 121.462 115.700 0.005 0.000 2.560 496 S HA -0.034 4.436 4.470 0.001 0.000 0.284 496 S C 1.477 176.078 174.600 0.001 0.000 1.327 496 S CA -0.312 57.892 58.200 0.007 0.000 1.055 496 S CB 0.556 63.765 63.200 0.014 0.000 0.868 496 S HN 0.878 nan 8.310 nan 0.000 0.506 497 C N 2.947 122.247 119.300 -0.001 0.000 2.409 497 C HA 0.001 4.461 4.460 0.001 0.000 0.288 497 C C 2.348 177.326 174.990 -0.020 0.000 1.395 497 C CA 0.938 59.950 59.018 -0.010 0.000 1.792 497 C CB -2.431 25.305 27.740 -0.007 0.000 1.847 497 C HN 0.968 nan 8.230 nan 0.000 0.534 498 T N -3.025 111.519 114.554 -0.016 0.000 3.081 498 T HA 0.162 4.513 4.350 0.001 0.000 0.250 498 T C 0.830 175.514 174.700 -0.027 0.000 1.100 498 T CA -0.055 62.021 62.100 -0.040 0.000 1.038 498 T CB -0.237 68.615 68.868 -0.027 0.000 0.962 498 T HN 0.502 nan 8.240 nan 0.000 0.516 499 R N 1.114 121.611 120.500 -0.006 0.000 2.543 499 R HA 0.569 4.909 4.340 0.001 0.000 0.277 499 R C -0.363 175.942 176.300 0.007 0.000 1.074 499 R CA -0.166 55.937 56.100 0.006 0.000 1.076 499 R CB 0.659 30.965 30.300 0.009 0.000 0.993 499 R HN 0.386 nan 8.270 nan 0.000 0.459 500 L N 0.570 121.808 121.223 0.025 0.000 2.354 500 L HA 0.337 4.678 4.340 0.001 0.000 0.264 500 L C 0.196 177.092 176.870 0.042 0.000 1.008 500 L CA -0.913 53.951 54.840 0.040 0.000 0.819 500 L CB 2.300 44.405 42.059 0.076 0.000 1.339 500 L HN 0.508 nan 8.230 nan 0.000 0.420 501 T N 0.835 115.407 114.554 0.030 0.000 2.867 501 T HA 0.018 4.368 4.350 0.001 0.000 0.297 501 T C 0.550 175.263 174.700 0.022 0.000 0.989 501 T CA 0.067 62.169 62.100 0.003 0.000 1.159 501 T CB 0.071 68.917 68.868 -0.037 0.000 0.928 501 T HN 0.341 nan 8.240 nan 0.000 0.538 502 R N 2.823 123.333 120.500 0.017 0.000 4.154 502 R HA 0.290 4.630 4.340 0.001 0.000 0.186 502 R C 0.948 177.240 176.300 -0.013 0.000 1.750 502 R CA -0.241 55.882 56.100 0.039 0.000 1.431 502 R CB -0.685 29.631 30.300 0.028 0.000 1.383 502 R HN 0.773 nan 8.270 nan 0.000 0.788 503 G N 0.714 109.452 108.800 -0.104 0.000 2.562 503 G HA2 0.110 4.070 3.960 0.001 0.000 0.275 503 G HA3 0.110 4.070 3.960 0.001 0.000 0.275 503 G C -0.340 174.389 174.900 -0.286 0.000 1.196 503 G CA -0.735 44.187 45.100 -0.296 0.000 0.908 503 G HN 0.387 nan 8.290 nan 0.000 0.524 504 R N 1.027 121.380 120.500 -0.245 0.000 3.701 504 R HA 0.110 4.451 4.340 0.001 0.000 0.210 504 R C 0.232 176.446 176.300 -0.142 0.000 1.598 504 R CA -0.326 55.696 56.100 -0.131 0.000 1.427 504 R CB -0.453 29.795 30.300 -0.086 0.000 1.339 504 R HN 0.631 nan 8.270 nan 0.000 0.720 505 Y N 1.005 121.287 120.300 -0.029 0.000 2.315 505 Y HA -0.264 4.286 4.550 0.001 0.000 0.288 505 Y C 2.114 177.996 175.900 -0.030 0.000 1.154 505 Y CA 1.649 59.723 58.100 -0.043 0.000 1.229 505 Y CB -0.001 38.359 38.460 -0.167 0.000 0.980 505 Y HN 0.461 nan 8.280 nan 0.000 0.540 506 D N -0.067 120.395 120.400 0.104 0.000 2.123 506 D HA -0.278 4.362 4.640 0.001 0.000 0.196 506 D C 2.100 178.414 176.300 0.024 0.000 0.992 506 D CA 1.491 55.527 54.000 0.060 0.000 0.833 506 D CB -0.745 40.078 40.800 0.039 0.000 0.954 506 D HN 0.416 nan 8.370 nan 0.000 0.455 507 M N -0.276 119.320 119.600 -0.007 0.000 2.175 507 M HA -0.079 4.401 4.480 0.001 0.000 0.264 507 M C 2.443 178.717 176.300 -0.042 0.000 1.063 507 M CA 0.966 56.242 55.300 -0.040 0.000 1.119 507 M CB -0.061 32.502 32.600 -0.061 0.000 1.377 507 M HN 0.000 nan 8.290 nan 0.000 0.415 508 M N -0.244 119.362 119.600 0.011 0.000 2.117 508 M HA -0.240 4.240 4.480 0.001 0.000 0.262 508 M C 2.108 178.485 176.300 0.128 0.000 1.065 508 M CA 1.697 57.036 55.300 0.066 0.000 1.114 508 M CB -0.130 32.591 32.600 0.201 0.000 1.361 508 M HN 0.408 nan 8.290 nan 0.000 0.408 509 M N 0.933 120.631 119.600 0.163 0.000 2.086 509 M HA -0.171 4.309 4.480 0.001 0.000 0.261 509 M C 1.752 178.117 176.300 0.108 0.000 1.067 509 M CA 1.886 57.303 55.300 0.196 0.000 1.116 509 M CB -0.609 32.082 32.600 0.152 0.000 1.348 509 M HN 0.247 nan 8.290 nan 0.000 0.407 510 E N 0.001 120.211 120.200 0.018 0.000 2.160 510 E HA -0.161 4.190 4.350 0.001 0.000 0.195 510 E C 1.985 178.522 176.600 -0.105 0.000 0.991 510 E CA 1.350 57.729 56.400 -0.035 0.000 0.810 510 E CB -0.554 29.111 29.700 -0.059 0.000 0.742 510 E HN 0.653 nan 8.360 nan 0.000 0.466 511 A N 0.467 123.148 122.820 -0.231 0.000 2.024 511 A HA -0.148 4.173 4.320 0.001 0.000 0.220 511 A C 1.395 178.606 177.584 -0.622 0.000 1.164 511 A CA 1.123 52.862 52.037 -0.497 0.000 0.643 511 A CB -0.466 18.075 19.000 -0.766 0.000 0.806 511 A HN 0.156 nan 8.150 nan 0.000 0.451 512 F N -1.440 118.526 119.950 0.027 0.000 2.668 512 F HA 0.443 4.970 4.527 0.001 0.000 0.301 512 F C 1.632 177.442 175.800 0.017 0.000 1.106 512 F CA 0.091 58.105 58.000 0.023 0.000 1.289 512 F CB 0.189 39.211 39.000 0.035 0.000 1.006 512 F HN 0.301 nan 8.300 nan 0.000 0.535 513 G N -0.020 108.839 108.800 0.099 0.000 2.175 513 G HA2 -0.178 3.782 3.960 0.001 0.000 0.244 513 G HA3 -0.178 3.782 3.960 0.001 0.000 0.244 513 G C 0.749 175.693 174.900 0.074 0.000 0.982 513 G CA -0.278 44.864 45.100 0.069 0.000 0.641 513 G HN 0.752 nan 8.290 nan 0.000 0.527 514 G N -0.352 108.510 108.800 0.103 0.000 2.616 514 G HA2 0.541 4.502 3.960 0.001 0.000 0.268 514 G HA3 0.541 4.502 3.960 0.001 0.000 0.268 514 G C -0.088 174.846 174.900 0.058 0.000 1.213 514 G CA -0.435 44.724 45.100 0.098 0.000 0.926 514 G HN 0.403 nan 8.290 nan 0.000 0.523 515 K N -0.090 120.351 120.400 0.068 0.000 2.211 515 K HA 0.502 4.822 4.320 0.001 0.000 0.275 515 K C 0.227 176.844 176.600 0.028 0.000 1.024 515 K CA -0.250 56.043 56.287 0.011 0.000 0.887 515 K CB 1.743 34.278 32.500 0.059 0.000 1.084 515 K HN 0.504 nan 8.250 nan 0.000 0.463 516 G N 2.347 111.085 108.800 -0.105 0.000 2.379 516 G HA2 0.508 4.469 3.960 0.001 0.000 0.327 516 G HA3 0.508 4.469 3.960 0.001 0.000 0.327 516 G C -1.420 173.361 174.900 -0.199 0.000 1.145 516 G CA -0.332 44.746 45.100 -0.037 0.000 0.905 516 G HN 0.396 nan 8.290 nan 0.000 0.466 517 Y N 0.293 120.584 120.300 -0.015 0.000 2.512 517 Y HA 0.529 5.079 4.550 0.001 0.000 0.348 517 Y C -0.078 175.808 175.900 -0.022 0.000 0.990 517 Y CA -0.993 57.095 58.100 -0.021 0.000 1.033 517 Y CB 2.660 41.102 38.460 -0.031 0.000 1.259 517 Y HN 0.368 nan 8.280 nan 0.000 0.461 518 V N 2.374 122.365 119.914 0.129 0.000 2.417 518 V HA 0.795 4.916 4.120 0.001 0.000 0.291 518 V C -0.388 175.743 176.094 0.062 0.000 1.024 518 V CA -0.848 61.495 62.300 0.071 0.000 0.861 518 V CB 1.268 33.111 31.823 0.034 0.000 0.985 518 V HN 0.860 nan 8.190 nan 0.000 0.436 519 A N 3.396 126.233 122.820 0.028 0.000 2.285 519 A HA 0.553 4.873 4.320 0.001 0.000 0.310 519 A C 0.282 177.859 177.584 -0.012 0.000 1.266 519 A CA -0.559 51.480 52.037 0.003 0.000 0.832 519 A CB 0.227 19.210 19.000 -0.028 0.000 1.163 519 A HN 0.905 nan 8.150 nan 0.000 0.499 520 N N 0.397 119.092 118.700 -0.008 0.000 2.282 520 N HA 0.082 4.822 4.740 0.001 0.000 0.185 520 N C 0.206 175.704 175.510 -0.019 0.000 1.099 520 N CA 0.879 53.921 53.050 -0.014 0.000 0.878 520 N CB 0.730 39.214 38.487 -0.006 0.000 0.993 520 N HN 0.766 nan 8.380 nan 0.000 0.481 521 T N -3.767 110.775 114.554 -0.019 0.000 2.883 521 T HA 0.318 4.669 4.350 0.001 0.000 0.301 521 T C -2.504 172.182 174.700 -0.024 0.000 1.158 521 T CA -1.843 60.245 62.100 -0.020 0.000 1.007 521 T CB 2.150 71.011 68.868 -0.011 0.000 1.186 521 T HN -0.352 nan 8.240 nan 0.000 0.499 522 P HA -0.033 nan 4.420 nan 0.000 0.216 522 P C 1.689 178.978 177.300 -0.018 0.000 1.150 522 P CA 1.738 64.825 63.100 -0.022 0.000 0.837 522 P CB -0.255 31.436 31.700 -0.014 0.000 0.786 523 A N 0.042 122.856 122.820 -0.010 0.000 1.877 523 A HA -0.251 4.070 4.320 0.001 0.000 0.216 523 A C 2.168 179.747 177.584 -0.009 0.000 1.186 523 A CA 1.761 53.795 52.037 -0.005 0.000 0.620 523 A CB -1.246 17.754 19.000 0.000 0.000 0.822 523 A HN 0.186 nan 8.150 nan 0.000 0.443 524 E N -0.861 119.333 120.200 -0.009 0.000 2.077 524 E HA -0.180 4.171 4.350 0.001 0.000 0.193 524 E C 1.945 178.526 176.600 -0.032 0.000 0.989 524 E CA 1.146 57.542 56.400 -0.006 0.000 0.800 524 E CB -0.250 29.453 29.700 0.004 0.000 0.746 524 E HN 0.487 nan 8.360 nan 0.000 0.452 525 L N 1.835 123.029 121.223 -0.048 0.000 2.046 525 L HA -0.194 4.147 4.340 0.001 0.000 0.208 525 L C 2.223 179.025 176.870 -0.113 0.000 1.077 525 L CA 1.885 56.673 54.840 -0.086 0.000 0.747 525 L CB -0.356 41.658 42.059 -0.075 0.000 0.896 525 L HN -0.086 nan 8.230 nan 0.000 0.432 526 K N -0.794 119.564 120.400 -0.069 0.000 2.032 526 K HA -0.184 4.137 4.320 0.001 0.000 0.209 526 K C 1.993 178.553 176.600 -0.067 0.000 1.048 526 K CA 1.508 57.763 56.287 -0.053 0.000 0.927 526 K CB -0.280 32.217 32.500 -0.004 0.000 0.712 526 K HN 0.435 nan 8.250 nan 0.000 0.441 527 A N 0.973 123.764 122.820 -0.048 0.000 1.877 527 A HA -0.095 4.225 4.320 0.001 0.000 0.216 527 A C 2.339 179.865 177.584 -0.096 0.000 1.186 527 A CA 1.899 53.916 52.037 -0.033 0.000 0.620 527 A CB -0.879 18.123 19.000 0.003 0.000 0.822 527 A HN 0.502 nan 8.150 nan 0.000 0.443 528 A N -0.573 122.146 122.820 -0.168 0.000 1.902 528 A HA -0.050 4.270 4.320 0.001 0.000 0.217 528 A C 2.149 179.395 177.584 -0.563 0.000 1.181 528 A CA 1.812 53.583 52.037 -0.443 0.000 0.623 528 A CB -0.634 18.101 19.000 -0.442 0.000 0.818 528 A HN 0.662 nan 8.150 nan 0.000 0.443 529 L N 0.093 121.064 121.223 -0.420 0.000 2.027 529 L HA -0.125 4.215 4.340 0.001 0.000 0.206 529 L C 2.196 178.762 176.870 -0.505 0.000 1.074 529 L CA 2.405 56.939 54.840 -0.510 0.000 0.745 529 L CB -0.799 40.926 42.059 -0.557 0.000 0.898 529 L HN 0.532 nan 8.230 nan 0.000 0.433 530 E N -0.499 119.524 120.200 -0.296 0.000 2.058 530 E HA -0.259 4.091 4.350 0.001 0.000 0.194 530 E C 2.039 178.632 176.600 -0.011 0.000 0.997 530 E CA 1.716 58.104 56.400 -0.019 0.000 0.801 530 E CB -0.145 29.617 29.700 0.103 0.000 0.746 530 E HN 0.617 nan 8.360 nan 0.000 0.450 531 E N 0.552 120.716 120.200 -0.060 0.000 2.051 531 E HA -0.185 4.166 4.350 0.001 0.000 0.192 531 E C 2.080 178.675 176.600 -0.009 0.000 0.991 531 E CA 0.957 57.357 56.400 -0.001 0.000 0.799 531 E CB -0.129 29.603 29.700 0.054 0.000 0.748 531 E HN 0.235 nan 8.360 nan 0.000 0.449 532 A N 0.872 123.600 122.820 -0.153 0.000 1.858 532 A HA -0.157 4.163 4.320 0.001 0.000 0.216 532 A C 2.520 180.081 177.584 -0.038 0.000 1.190 532 A CA 1.348 53.320 52.037 -0.108 0.000 0.617 532 A CB -0.763 18.056 19.000 -0.302 0.000 0.827 532 A HN 0.123 nan 8.150 nan 0.000 0.443 533 V N -0.124 119.745 119.914 -0.075 0.000 2.343 533 V HA -0.227 3.894 4.120 0.001 0.000 0.247 533 V C 3.052 179.200 176.094 0.090 0.000 1.051 533 V CA 1.917 64.234 62.300 0.029 0.000 1.036 533 V CB -1.240 30.641 31.823 0.098 0.000 0.654 533 V HN 0.615 nan 8.190 nan 0.000 0.451 534 A N 0.748 123.626 122.820 0.096 0.000 1.972 534 A HA -0.216 4.105 4.320 0.001 0.000 0.219 534 A C 2.546 180.175 177.584 0.074 0.000 1.169 534 A CA 2.172 54.265 52.037 0.093 0.000 0.635 534 A CB -0.745 18.308 19.000 0.090 0.000 0.810 534 A HN 0.703 nan 8.150 nan 0.000 0.446 535 S N -1.211 114.532 115.700 0.072 0.000 2.399 535 S HA 0.178 4.648 4.470 0.001 0.000 0.231 535 S C 1.724 176.366 174.600 0.070 0.000 1.022 535 S CA 1.529 59.773 58.200 0.074 0.000 0.983 535 S CB -0.918 62.338 63.200 0.092 0.000 0.803 535 S HN 2.038 nan 8.310 nan 0.000 0.480 536 G N 0.849 109.692 108.800 0.071 0.000 2.155 536 G HA2 -0.263 3.697 3.960 0.001 0.000 0.257 536 G HA3 -0.263 3.697 3.960 0.001 0.000 0.257 536 G C -0.041 174.903 174.900 0.074 0.000 0.983 536 G CA 0.642 45.784 45.100 0.070 0.000 0.676 536 G HN 0.678 nan 8.290 nan 0.000 0.528 537 K N 0.394 120.841 120.400 0.078 0.000 2.238 537 K HA 0.571 4.892 4.320 0.001 0.000 0.239 537 K C -2.662 173.993 176.600 0.090 0.000 0.987 537 K CA -2.266 54.071 56.287 0.083 0.000 0.857 537 K CB 2.044 34.593 32.500 0.082 0.000 1.154 537 K HN -0.063 nan 8.250 nan 0.000 0.439 538 P HA 0.123 nan 4.420 nan 0.000 0.276 538 P C -0.839 176.530 177.300 0.115 0.000 1.253 538 P CA -0.289 62.873 63.100 0.102 0.000 0.766 538 P CB 0.276 32.040 31.700 0.107 0.000 0.845 539 C N 3.813 123.182 119.300 0.114 0.000 2.802 539 C HA 0.698 5.159 4.460 0.001 0.000 0.307 539 C C -0.198 174.860 174.990 0.114 0.000 1.222 539 C CA -0.594 58.515 59.018 0.153 0.000 1.580 539 C CB 1.597 29.437 27.740 0.167 0.000 2.119 539 C HN 0.548 nan 8.230 nan 0.000 0.479 540 L N 2.397 123.709 121.223 0.148 0.000 2.410 540 L HA 0.739 5.079 4.340 0.001 0.000 0.270 540 L C -1.338 175.599 176.870 0.112 0.000 0.983 540 L CA -0.357 54.528 54.840 0.074 0.000 0.822 540 L CB 1.006 43.094 42.059 0.049 0.000 1.285 540 L HN 0.678 nan 8.230 nan 0.000 0.409 541 I N 4.204 124.773 120.570 -0.001 0.000 2.355 541 I HA 0.295 4.466 4.170 0.001 0.000 0.288 541 I C -0.384 175.708 176.117 -0.041 0.000 0.999 541 I CA -0.520 60.775 61.300 -0.008 0.000 1.163 541 I CB 1.505 39.425 38.000 -0.133 0.000 1.316 541 I HN 0.540 nan 8.210 nan 0.000 0.454 542 N N 5.957 124.664 118.700 0.011 0.000 2.555 542 N HA 0.314 5.055 4.740 0.001 0.000 0.244 542 N C -0.403 175.099 175.510 -0.013 0.000 1.114 542 N CA -0.179 52.874 53.050 0.004 0.000 0.963 542 N CB 0.833 39.361 38.487 0.068 0.000 1.276 542 N HN 0.676 nan 8.380 nan 0.000 0.510 543 A N 4.116 126.902 122.820 -0.055 0.000 2.347 543 A HA 0.362 4.682 4.320 0.001 0.000 0.287 543 A C 0.202 177.749 177.584 -0.062 0.000 1.199 543 A CA -0.454 51.544 52.037 -0.065 0.000 0.851 543 A CB 0.023 18.968 19.000 -0.093 0.000 1.118 543 A HN 0.537 nan 8.150 nan 0.000 0.525 544 M N 4.428 123.999 119.600 -0.048 0.000 2.135 544 M HA 0.287 4.768 4.480 0.001 0.000 0.345 544 M C -0.501 175.755 176.300 -0.074 0.000 1.340 544 M CA -0.300 54.975 55.300 -0.041 0.000 1.162 544 M CB -0.372 32.215 32.600 -0.021 0.000 1.570 544 M HN 0.366 nan 8.290 nan 0.000 0.454 545 I N 2.107 122.618 120.570 -0.098 0.000 2.392 545 I HA 0.184 4.354 4.170 0.001 0.000 0.295 545 I C 0.560 176.619 176.117 -0.096 0.000 0.985 545 I CA -0.772 60.431 61.300 -0.162 0.000 1.221 545 I CB 1.205 39.027 38.000 -0.297 0.000 1.366 545 I HN 0.504 nan 8.210 nan 0.000 0.467 546 D N 8.549 128.898 120.400 -0.085 0.000 2.570 546 D HA -0.033 4.608 4.640 0.001 0.000 0.243 546 D C -1.605 174.696 176.300 0.002 0.000 1.171 546 D CA -1.001 52.981 54.000 -0.029 0.000 0.879 546 D CB 1.201 41.992 40.800 -0.015 0.000 1.143 546 D HN 0.225 nan 8.370 nan 0.000 0.511 547 P HA -0.122 nan 4.420 nan 0.000 0.220 547 P C 0.569 177.912 177.300 0.071 0.000 1.144 547 P CA 0.927 64.055 63.100 0.047 0.000 0.800 547 P CB 0.301 32.023 31.700 0.038 0.000 0.772 548 D N -1.767 118.670 120.400 0.062 0.000 2.349 548 D HA 0.142 4.783 4.640 0.001 0.000 0.214 548 D C 1.754 178.112 176.300 0.098 0.000 1.063 548 D CA 0.116 54.160 54.000 0.072 0.000 0.847 548 D CB -0.292 40.538 40.800 0.050 0.000 0.933 548 D HN -0.077 nan 8.370 nan 0.000 0.513 549 A N -0.151 122.745 122.820 0.127 0.000 1.930 549 A HA 0.251 4.571 4.320 0.001 0.000 0.217 549 A C 1.601 179.345 177.584 0.267 0.000 1.175 549 A CA 1.115 53.264 52.037 0.187 0.000 0.627 549 A CB -0.694 18.405 19.000 0.164 0.000 0.815 549 A HN 0.285 nan 8.150 nan 0.000 0.443 550 G N -1.096 107.893 108.800 0.315 0.000 2.562 550 G HA2 0.482 4.442 3.960 0.001 0.000 0.275 550 G HA3 0.482 4.442 3.960 0.001 0.000 0.275 550 G C -0.099 174.840 174.900 0.064 0.000 1.196 550 G CA 0.306 45.503 45.100 0.161 0.000 0.908 550 G HN 1.061 nan 8.290 nan 0.000 0.524 551 V N -1.801 118.097 119.914 -0.026 0.000 2.919 551 V HA 0.693 4.813 4.120 0.001 0.000 0.316 551 V C -0.016 175.983 176.094 -0.159 0.000 1.077 551 V CA -1.321 60.944 62.300 -0.059 0.000 0.977 551 V CB 1.761 33.537 31.823 -0.078 0.000 1.039 551 V HN 0.755 nan 8.190 nan 0.000 0.441 552 E N 2.157 122.229 120.200 -0.214 0.000 2.606 552 E HA 0.185 4.535 4.350 0.001 0.000 0.248 552 E C 0.758 176.935 176.600 -0.705 0.000 1.005 552 E CA 1.390 57.483 56.400 -0.512 0.000 0.946 552 E CB -0.191 29.347 29.700 -0.269 0.000 0.928 552 E HN 1.128 nan 8.360 nan 0.000 0.494 553 S N 2.533 117.380 115.700 -1.423 0.000 3.358 553 S HA -0.274 4.196 4.470 0.001 0.000 0.309 553 S C 1.009 175.441 174.600 -0.279 0.000 1.247 553 S CA 0.702 58.460 58.200 -0.736 0.000 0.961 553 S CB -2.238 60.714 63.200 -0.413 0.000 1.074 553 S HN 1.331 nan 8.310 nan 0.000 0.625 554 G N 2.008 110.657 108.800 -0.251 0.000 2.622 554 G HA2 -0.438 3.522 3.960 0.001 0.000 0.307 554 G HA3 -0.438 3.522 3.960 0.001 0.000 0.307 554 G C 0.594 175.426 174.900 -0.114 0.000 1.226 554 G CA 0.706 45.714 45.100 -0.153 0.000 0.997 554 G HN 0.441 nan 8.290 nan 0.000 0.551 555 R N 0.787 121.244 120.500 -0.072 0.000 2.189 555 R HA -0.009 4.331 4.340 0.001 0.000 0.223 555 R C 2.341 178.631 176.300 -0.018 0.000 1.092 555 R CA 1.600 57.674 56.100 -0.043 0.000 0.989 555 R CB -0.662 29.621 30.300 -0.028 0.000 0.876 555 R HN 0.880 nan 8.270 nan 0.000 0.457 556 I N -1.761 118.805 120.570 -0.006 0.000 3.850 556 I HA 0.183 4.354 4.170 0.001 0.000 0.333 556 I C 1.538 177.635 176.117 -0.034 0.000 1.511 556 I CA -0.189 61.126 61.300 0.026 0.000 1.199 556 I CB 0.195 38.262 38.000 0.112 0.000 1.217 556 I HN -0.166 nan 8.210 nan 0.000 0.423 557 K N 2.178 122.531 120.400 -0.078 0.000 2.059 557 K HA -0.238 4.082 4.320 0.001 0.000 0.212 557 K C 2.204 178.768 176.600 -0.061 0.000 1.050 557 K CA 2.463 58.685 56.287 -0.109 0.000 0.927 557 K CB -0.053 32.383 32.500 -0.105 0.000 0.714 557 K HN 0.670 nan 8.250 nan 0.000 0.447 558 S N 0.584 116.268 115.700 -0.027 0.000 2.469 558 S HA -0.080 4.391 4.470 0.001 0.000 0.238 558 S C 1.800 176.403 174.600 0.005 0.000 0.998 558 S CA 0.779 58.975 58.200 -0.007 0.000 0.957 558 S CB -0.387 62.818 63.200 0.009 0.000 0.764 558 S HN 0.338 nan 8.310 nan 0.000 0.514 559 L N 1.013 122.240 121.223 0.007 0.000 2.552 559 L HA 0.119 4.460 4.340 0.001 0.000 0.227 559 L C 0.835 177.698 176.870 -0.013 0.000 1.146 559 L CA 0.044 54.889 54.840 0.008 0.000 0.858 559 L CB -0.769 41.299 42.059 0.015 0.000 0.969 559 L HN 0.314 nan 8.230 nan 0.000 0.451 560 N N 0.600 119.286 118.700 -0.022 0.000 2.479 560 N HA 0.090 4.831 4.740 0.001 0.000 0.257 560 N C -0.441 175.063 175.510 -0.010 0.000 1.232 560 N CA 0.086 53.125 53.050 -0.019 0.000 0.920 560 N CB 2.043 40.512 38.487 -0.029 0.000 1.105 560 N HN -0.186 nan 8.380 nan 0.000 0.444 561 V N 2.626 122.536 119.914 -0.006 0.000 2.370 561 V HA 0.321 4.441 4.120 0.001 0.000 0.279 561 V C 0.316 176.410 176.094 0.000 0.000 1.029 561 V CA -0.600 61.698 62.300 -0.004 0.000 0.870 561 V CB 1.408 33.227 31.823 -0.007 0.000 0.984 561 V HN 0.270 nan 8.190 nan 0.000 0.451 562 V N 3.196 123.110 119.914 0.001 0.000 2.769 562 V HA 0.471 4.592 4.120 0.001 0.000 0.312 562 V C 0.256 176.352 176.094 0.003 0.000 1.061 562 V CA -0.608 61.694 62.300 0.003 0.000 0.931 562 V CB 2.230 34.054 31.823 0.002 0.000 1.010 562 V HN 0.827 nan 8.190 nan 0.000 0.433 563 S N 2.044 117.747 115.700 0.004 0.000 2.505 563 S HA 0.285 4.755 4.470 0.001 0.000 0.276 563 S C 0.663 175.265 174.600 0.003 0.000 1.274 563 S CA -0.297 57.905 58.200 0.003 0.000 1.053 563 S CB 0.358 63.561 63.200 0.004 0.000 0.919 563 S HN 0.743 nan 8.310 nan 0.000 0.490 564 K N 2.909 123.311 120.400 0.003 0.000 2.358 564 K HA 0.179 4.500 4.320 0.001 0.000 0.197 564 K C 0.459 177.061 176.600 0.003 0.000 1.025 564 K CA -0.036 56.252 56.287 0.003 0.000 1.104 564 K CB 0.574 33.076 32.500 0.002 0.000 0.855 564 K HN 0.604 nan 8.250 nan 0.000 0.531 565 V N 0.000 119.915 119.914 0.002 0.000 2.409 565 V HA 0.000 4.120 4.120 0.001 0.000 0.244 565 V CA 0.000 62.301 62.300 0.002 0.000 1.235 565 V CB 0.000 31.824 31.823 0.002 0.000 1.184 565 V HN 0.000 nan 8.190 nan 0.000 0.556