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 1uvi_1_A DATA FIRST_RESID 1 DATA SEQUENCE PRRAPAFPLS DIKAQMLFAN NIKAQQASKR SFKEGAIETY EGLLSVDPRF DATA SEQUENCE LSFKNELSRY LTDHFPANVD EYGRVYGNGV RTNFFGMRHM NGFPMIPATW DATA SEQUENCE PLASNLKKRA DADLADGPVS ERDNLLFRAA VRLMFSDLEP VPLKIRKGSS DATA SEQUENCE TCIPYFSNDM GTKIEIAERA LEKAEEAGNL MLQGKFDDAY QLHQMGGAYY DATA SEQUENCE VVYRAQSTDA ITLDPKTGKF VSKDRMVADF EYAVTGGEQG SLFAASKDAS DATA SEQUENCE RLKEQYGIDV PDGFFCERRR TAMGGPFALN APIMAVAQPV RNKIYSKYAY DATA SEQUENCE TFHHTTRLNK EEKVKEWSLC VATDVSDHDT FWPGWLRDLI CDELLNMGYA DATA SEQUENCE PWWVKLFETS LKLPVYVGAP APEQGHTLLG DPSNPDLEVG LSSGQGATDL DATA SEQUENCE MGTLLMSITY LVMQLDHTAP HLNSRIKDMP SACRFLDSYW QGHEEIRQIS DATA SEQUENCE KSDDAMLGWT KGRALVGGHR LFEMLKEGKV NPSPYMKISY EHGGAFLGDI DATA SEQUENCE LLYDSRREPG SAIFVGNINS MLNNQFSPEY GVQSGVRDRS KRKRPFPGLA DATA SEQUENCE WASMKDTYGA CPIYSDVLEA IERCWWNAFG ESYRAYREDM LKRDTLELSR DATA SEQUENCE YVASMARQAG LAELTPIDLE VLADPNKLQY KWTEADVSAN IHEVLMHGVS DATA SEQUENCE VEKTERFLRS VMPR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.276 177.300 -0.040 0.000 1.155 1 P CA 0.000 63.079 63.100 -0.035 0.000 0.800 1 P CB 0.000 31.676 31.700 -0.039 0.000 0.726 2 R N 2.263 122.739 120.500 -0.041 0.000 1.324 2 R HA -0.150 4.654 4.340 0.773 0.000 0.410 2 R C -0.482 175.780 176.300 -0.063 0.000 1.331 2 R CA 1.319 57.393 56.100 -0.043 0.000 1.209 2 R CB -0.427 29.856 30.300 -0.028 0.000 3.484 2 R HN 0.579 nan 8.270 nan 0.000 0.489 3 R N 3.908 124.363 120.500 -0.075 0.000 2.615 3 R HA 0.663 5.467 4.340 0.773 0.000 0.270 3 R C 0.123 176.368 176.300 -0.092 0.000 1.081 3 R CA -0.062 55.974 56.100 -0.107 0.000 1.154 3 R CB 0.801 31.027 30.300 -0.124 0.000 1.063 3 R HN 0.712 nan 8.270 nan 0.000 0.519 4 A N 2.991 125.746 122.820 -0.108 0.000 2.340 4 A HA 0.421 5.205 4.320 0.773 0.000 0.268 4 A C -2.108 175.420 177.584 -0.094 0.000 1.100 4 A CA -1.757 50.236 52.037 -0.073 0.000 0.803 4 A CB -0.041 18.926 19.000 -0.055 0.000 1.043 4 A HN 0.674 nan 8.150 nan 0.000 0.488 5 P HA 0.449 nan 4.420 nan 0.000 0.271 5 P C -0.729 176.364 177.300 -0.345 0.000 1.218 5 P CA 0.100 63.058 63.100 -0.237 0.000 0.780 5 P CB 1.148 32.774 31.700 -0.123 0.000 0.901 6 A N 2.502 124.980 122.820 -0.571 0.000 2.422 6 A HA 0.781 5.565 4.320 0.773 0.000 0.302 6 A C -1.471 175.741 177.584 -0.621 0.000 1.041 6 A CA -0.440 51.407 52.037 -0.317 0.000 0.708 6 A CB 0.760 19.862 19.000 0.171 0.000 1.257 6 A HN 0.347 nan 8.150 nan 0.000 0.414 7 F N 2.408 122.457 119.950 0.165 0.000 2.540 7 F HA 0.623 5.614 4.527 0.773 0.000 0.317 7 F C -2.199 173.698 175.800 0.162 0.000 1.104 7 F CA -2.285 55.800 58.000 0.142 0.000 0.913 7 F CB 2.294 41.377 39.000 0.138 0.000 1.170 7 F HN 0.334 nan 8.300 nan 0.000 0.450 8 P HA 0.067 nan 4.420 nan 0.000 0.276 8 P C 0.790 178.275 177.300 0.309 0.000 1.244 8 P CA -0.382 62.861 63.100 0.238 0.000 0.801 8 P CB 1.498 33.287 31.700 0.149 0.000 1.006 9 L N 2.889 124.313 121.223 0.335 0.000 2.089 9 L HA -0.245 4.559 4.340 0.773 0.000 0.213 9 L C 2.353 179.361 176.870 0.231 0.000 1.079 9 L CA 2.820 57.879 54.840 0.365 0.000 0.758 9 L CB -1.673 40.577 42.059 0.318 0.000 0.891 9 L HN 0.498 nan 8.230 nan 0.000 0.433 10 S N -1.854 113.947 115.700 0.169 0.000 2.442 10 S HA -0.157 4.777 4.470 0.773 0.000 0.236 10 S C 1.085 175.760 174.600 0.126 0.000 1.007 10 S CA 0.508 58.780 58.200 0.120 0.000 0.965 10 S CB -0.903 62.351 63.200 0.089 0.000 0.773 10 S HN 0.645 nan 8.310 nan 0.000 0.504 11 D N 0.775 121.274 120.400 0.164 0.000 2.399 11 D HA 0.054 5.158 4.640 0.773 0.000 0.241 11 D C 1.166 177.522 176.300 0.093 0.000 1.133 11 D CA -0.177 53.909 54.000 0.145 0.000 0.890 11 D CB 0.852 41.788 40.800 0.226 0.000 1.201 11 D HN 0.138 nan 8.370 nan 0.000 0.432 12 I N 4.141 124.739 120.570 0.047 0.000 2.335 12 I HA -0.253 4.380 4.170 0.773 0.000 0.251 12 I C 2.035 178.135 176.117 -0.028 0.000 1.129 12 I CA 1.615 62.926 61.300 0.019 0.000 1.402 12 I CB -0.051 37.953 38.000 0.005 0.000 1.069 12 I HN 0.399 nan 8.210 nan 0.000 0.424 13 K N 0.220 120.544 120.400 -0.127 0.000 2.097 13 K HA -0.073 4.711 4.320 0.773 0.000 0.206 13 K C 2.104 178.637 176.600 -0.113 0.000 1.049 13 K CA 1.328 57.469 56.287 -0.244 0.000 0.933 13 K CB -0.291 31.810 32.500 -0.666 0.000 0.717 13 K HN 0.482 nan 8.250 nan 0.000 0.442 14 A N 0.936 123.781 122.820 0.043 0.000 1.898 14 A HA -0.112 4.672 4.320 0.773 0.000 0.214 14 A C 2.044 179.755 177.584 0.211 0.000 1.183 14 A CA 0.781 52.937 52.037 0.199 0.000 0.622 14 A CB -0.184 19.061 19.000 0.409 0.000 0.824 14 A HN 0.123 nan 8.150 nan 0.000 0.444 15 Q N -0.547 119.367 119.800 0.191 0.000 2.112 15 Q HA -0.162 4.642 4.340 0.773 0.000 0.206 15 Q C 2.011 178.106 176.000 0.157 0.000 0.987 15 Q CA 1.344 57.273 55.803 0.210 0.000 0.858 15 Q CB -0.470 28.343 28.738 0.125 0.000 0.905 15 Q HN 0.565 nan 8.270 nan 0.000 0.420 16 M N 0.139 119.779 119.600 0.066 0.000 2.530 16 M HA -0.103 4.841 4.480 0.773 0.000 0.261 16 M C 1.879 178.189 176.300 0.017 0.000 1.067 16 M CA 0.912 56.249 55.300 0.061 0.000 1.071 16 M CB -0.609 32.029 32.600 0.062 0.000 1.405 16 M HN 0.176 nan 8.290 nan 0.000 0.478 17 L N -1.584 119.515 121.223 -0.207 0.000 2.492 17 L HA 0.014 4.818 4.340 0.773 0.000 0.223 17 L C -0.190 176.206 176.870 -0.790 0.000 1.132 17 L CA 0.179 54.681 54.840 -0.564 0.000 0.850 17 L CB -0.235 41.264 42.059 -0.933 0.000 0.966 17 L HN 0.040 nan 8.230 nan 0.000 0.454 18 F N 0.121 120.084 119.950 0.021 0.000 2.460 18 F HA 0.577 5.568 4.527 0.773 0.000 0.341 18 F C 0.638 176.443 175.800 0.009 0.000 1.130 18 F CA -1.048 56.964 58.000 0.021 0.000 0.962 18 F CB 0.757 39.714 39.000 -0.071 0.000 1.171 18 F HN -0.221 nan 8.300 nan 0.000 0.436 19 A N 1.809 124.710 122.820 0.135 0.000 2.429 19 A HA 0.089 4.873 4.320 0.773 0.000 0.242 19 A C 0.662 178.328 177.584 0.137 0.000 1.088 19 A CA -0.371 51.724 52.037 0.096 0.000 0.784 19 A CB 0.113 19.180 19.000 0.110 0.000 1.038 19 A HN 0.777 nan 8.150 nan 0.000 0.501 20 N N 0.691 119.458 118.700 0.113 0.000 3.210 20 N HA 0.092 5.296 4.740 0.773 0.000 0.314 20 N C -0.738 174.823 175.510 0.084 0.000 1.291 20 N CA 0.112 53.213 53.050 0.085 0.000 1.202 20 N CB -0.927 37.599 38.487 0.065 0.000 1.475 20 N HN 0.716 nan 8.380 nan 0.000 0.554 21 N N -1.121 117.636 118.700 0.096 0.000 2.284 21 N HA 0.264 5.468 4.740 0.773 0.000 0.289 21 N C 0.650 176.189 175.510 0.047 0.000 1.179 21 N CA -0.813 52.283 53.050 0.077 0.000 0.774 21 N CB 0.807 39.358 38.487 0.107 0.000 1.548 21 N HN -0.266 nan 8.380 nan 0.000 0.473 22 I N 0.362 120.946 120.570 0.024 0.000 2.194 22 I HA -0.239 4.395 4.170 0.773 0.000 0.246 22 I C 1.863 177.966 176.117 -0.024 0.000 1.093 22 I CA 1.393 62.690 61.300 -0.005 0.000 1.355 22 I CB -1.001 36.996 38.000 -0.005 0.000 1.046 22 I HN 0.640 nan 8.210 nan 0.000 0.413 23 K N 1.070 121.472 120.400 0.003 0.000 2.009 23 K HA -0.127 4.657 4.320 0.773 0.000 0.210 23 K C 2.225 178.766 176.600 -0.098 0.000 1.049 23 K CA 1.695 57.976 56.287 -0.010 0.000 0.929 23 K CB -0.644 31.899 32.500 0.072 0.000 0.714 23 K HN 0.335 nan 8.250 nan 0.000 0.440 24 A N 1.873 124.693 122.820 -0.000 0.000 1.877 24 A HA -0.196 4.588 4.320 0.773 0.000 0.216 24 A C 2.235 179.676 177.584 -0.238 0.000 1.186 24 A CA 1.386 53.383 52.037 -0.066 0.000 0.620 24 A CB -0.373 18.793 19.000 0.277 0.000 0.822 24 A HN 0.257 nan 8.150 nan 0.000 0.443 25 Q N -0.317 119.403 119.800 -0.134 0.000 2.084 25 Q HA -0.213 4.591 4.340 0.773 0.000 0.202 25 Q C 2.140 177.973 176.000 -0.278 0.000 0.978 25 Q CA 1.871 57.554 55.803 -0.200 0.000 0.844 25 Q CB -0.474 28.208 28.738 -0.094 0.000 0.898 25 Q HN 0.832 nan 8.270 nan 0.000 0.426 26 Q N -0.291 119.381 119.800 -0.214 0.000 2.167 26 Q HA -0.032 4.772 4.340 0.773 0.000 0.202 26 Q C 1.961 177.818 176.000 -0.238 0.000 0.970 26 Q CA 1.156 56.851 55.803 -0.181 0.000 0.855 26 Q CB -0.080 28.591 28.738 -0.113 0.000 0.911 26 Q HN 0.372 nan 8.270 nan 0.000 0.438 27 A N 0.797 123.363 122.820 -0.424 0.000 1.969 27 A HA -0.183 4.601 4.320 0.773 0.000 0.218 27 A C 2.216 179.587 177.584 -0.356 0.000 1.169 27 A CA 1.618 53.357 52.037 -0.498 0.000 0.635 27 A CB -0.579 17.611 19.000 -1.349 0.000 0.810 27 A HN 0.443 nan 8.150 nan 0.000 0.445 28 S N -0.026 115.194 115.700 -0.800 0.000 2.383 28 S HA -0.132 4.802 4.470 0.773 0.000 0.227 28 S C 1.668 176.128 174.600 -0.233 0.000 1.026 28 S CA 1.531 59.056 58.200 -1.124 0.000 0.981 28 S CB -0.283 61.709 63.200 -2.014 0.000 0.818 28 S HN 0.607 nan 8.310 nan 0.000 0.472 29 K N 0.490 120.778 120.400 -0.187 0.000 2.361 29 K HA 0.230 5.014 4.320 0.773 0.000 0.194 29 K C 0.745 177.378 176.600 0.054 0.000 1.032 29 K CA -0.328 55.903 56.287 -0.093 0.000 1.048 29 K CB 0.101 32.507 32.500 -0.157 0.000 0.842 29 K HN 0.296 nan 8.250 nan 0.000 0.526 30 R N 2.663 123.237 120.500 0.123 0.000 2.485 30 R HA -0.065 4.739 4.340 0.773 0.000 0.304 30 R C -0.158 176.322 176.300 0.301 0.000 0.934 30 R CA 0.189 56.383 56.100 0.156 0.000 1.102 30 R CB 0.253 30.632 30.300 0.132 0.000 0.906 30 R HN 0.102 nan 8.270 nan 0.000 0.407 31 S N 4.233 120.059 115.700 0.209 0.000 2.707 31 S HA 0.231 5.165 4.470 0.773 0.000 0.276 31 S C -0.004 174.730 174.600 0.222 0.000 1.179 31 S CA -0.950 57.415 58.200 0.276 0.000 0.992 31 S CB 0.604 63.924 63.200 0.199 0.000 1.030 31 S HN 0.522 nan 8.310 nan 0.000 0.554 32 F N 1.313 121.333 119.950 0.116 0.000 2.629 32 F HA 0.404 5.395 4.527 0.773 0.000 0.377 32 F C 0.204 176.050 175.800 0.077 0.000 1.101 32 F CA 0.636 58.681 58.000 0.075 0.000 1.301 32 F CB 0.216 39.255 39.000 0.064 0.000 1.062 32 F HN 0.586 nan 8.300 nan 0.000 0.583 33 K N 4.637 124.585 120.400 -0.754 0.000 2.498 33 K HA 0.404 5.188 4.320 0.773 0.000 0.254 33 K C -1.485 174.708 176.600 -0.679 0.000 0.933 33 K CA -0.734 55.261 56.287 -0.485 0.000 0.806 33 K CB 1.778 34.139 32.500 -0.231 0.000 1.301 33 K HN 0.739 nan 8.250 nan 0.000 0.432 34 E N 1.041 121.004 120.200 -0.395 0.000 2.430 34 E HA 0.819 5.633 4.350 0.773 0.000 0.279 34 E C -0.820 175.481 176.600 -0.497 0.000 1.003 34 E CA -1.434 54.730 56.400 -0.393 0.000 0.801 34 E CB 1.966 31.597 29.700 -0.115 0.000 1.313 34 E HN 0.609 nan 8.360 nan 0.000 0.459 35 G N -0.241 107.981 108.800 -0.964 0.000 2.340 35 G HA2 0.485 4.909 3.960 0.773 0.000 0.298 35 G HA3 0.485 4.909 3.960 0.773 0.000 0.298 35 G C -1.209 173.074 174.900 -1.028 0.000 1.498 35 G CA -0.463 44.043 45.100 -0.991 0.000 0.847 35 G HN 0.755 nan 8.290 nan 0.000 0.594 36 A N 0.062 122.550 122.820 -0.553 0.000 2.498 36 A HA 0.564 5.348 4.320 0.773 0.000 0.239 36 A C 0.899 178.391 177.584 -0.153 0.000 1.068 36 A CA 0.406 52.334 52.037 -0.183 0.000 0.766 36 A CB -0.296 18.758 19.000 0.089 0.000 1.003 36 A HN 1.764 nan 8.150 nan 0.000 0.497 37 I N -0.853 119.668 120.570 -0.081 0.000 2.577 37 I HA 0.451 5.085 4.170 0.773 0.000 0.300 37 I C 0.357 176.453 176.117 -0.033 0.000 0.990 37 I CA -0.623 60.641 61.300 -0.061 0.000 1.283 37 I CB 1.231 39.209 38.000 -0.037 0.000 1.411 37 I HN 0.734 nan 8.210 nan 0.000 0.515 38 E N 3.411 123.586 120.200 -0.041 0.000 1.861 38 E HA 0.115 4.929 4.350 0.773 0.000 0.263 38 E C 0.389 176.938 176.600 -0.085 0.000 1.137 38 E CA -0.204 56.171 56.400 -0.042 0.000 0.944 38 E CB 0.438 30.121 29.700 -0.028 0.000 1.092 38 E HN 0.836 nan 8.360 nan 0.000 0.420 39 T N 3.521 118.002 114.554 -0.122 0.000 2.653 39 T HA -0.193 4.621 4.350 0.773 0.000 0.268 39 T C -0.137 174.221 174.700 -0.570 0.000 1.035 39 T CA 1.623 63.555 62.100 -0.280 0.000 1.154 39 T CB -0.146 68.562 68.868 -0.267 0.000 0.862 39 T HN 0.388 nan 8.240 nan 0.000 0.441 40 Y N -0.303 120.002 120.300 0.008 0.000 2.638 40 Y HA 0.405 5.419 4.550 0.773 0.000 0.339 40 Y C -0.226 175.687 175.900 0.021 0.000 1.084 40 Y CA -1.763 56.359 58.100 0.037 0.000 1.068 40 Y CB 1.098 39.630 38.460 0.119 0.000 1.294 40 Y HN -0.050 nan 8.280 nan 0.000 0.480 41 E N 0.589 120.901 120.200 0.187 0.000 2.480 41 E HA 0.286 5.100 4.350 0.773 0.000 0.258 41 E C 0.713 177.374 176.600 0.101 0.000 0.984 41 E CA 1.236 57.693 56.400 0.095 0.000 0.930 41 E CB 0.034 29.772 29.700 0.062 0.000 0.936 41 E HN 0.880 nan 8.360 nan 0.000 0.466 42 G N 3.340 112.176 108.800 0.059 0.000 2.155 42 G HA2 -0.288 4.136 3.960 0.773 0.000 0.257 42 G HA3 -0.288 4.136 3.960 0.773 0.000 0.257 42 G C -0.070 174.858 174.900 0.046 0.000 0.983 42 G CA -0.059 45.071 45.100 0.049 0.000 0.676 42 G HN 0.475 nan 8.290 nan 0.000 0.528 43 L N 0.694 121.943 121.223 0.044 0.000 2.406 43 L HA 0.566 5.370 4.340 0.773 0.000 0.270 43 L C -0.454 176.391 176.870 -0.042 0.000 0.982 43 L CA -1.013 53.827 54.840 -0.001 0.000 0.843 43 L CB 1.058 43.110 42.059 -0.012 0.000 1.225 43 L HN -0.039 nan 8.230 nan 0.000 0.412 44 L N 2.642 123.857 121.223 -0.014 0.000 2.418 44 L HA 0.259 5.063 4.340 0.773 0.000 0.265 44 L C 1.661 178.559 176.870 0.048 0.000 1.143 44 L CA 0.429 55.278 54.840 0.015 0.000 0.809 44 L CB 1.681 43.770 42.059 0.049 0.000 1.124 44 L HN 0.732 nan 8.230 nan 0.000 0.456 45 S N 0.497 116.273 115.700 0.127 0.000 2.474 45 S HA -0.076 4.858 4.470 0.773 0.000 0.235 45 S C 1.023 175.876 174.600 0.421 0.000 0.997 45 S CA 0.718 59.117 58.200 0.333 0.000 0.949 45 S CB -0.420 62.968 63.200 0.313 0.000 0.766 45 S HN 0.548 nan 8.310 nan 0.000 0.517 46 V N -1.267 118.810 119.914 0.271 0.000 3.376 46 V HA 0.295 4.879 4.120 0.773 0.000 0.313 46 V C 0.269 176.435 176.094 0.120 0.000 1.393 46 V CA -0.534 61.883 62.300 0.194 0.000 1.125 46 V CB -0.662 31.268 31.823 0.180 0.000 1.037 46 V HN 0.296 nan 8.190 nan 0.000 0.440 47 D N 2.279 122.773 120.400 0.157 0.000 2.487 47 D HA 0.071 5.175 4.640 0.773 0.000 0.243 47 D C -1.369 174.950 176.300 0.031 0.000 1.154 47 D CA -0.958 53.094 54.000 0.086 0.000 0.876 47 D CB 2.038 42.904 40.800 0.109 0.000 1.161 47 D HN 0.141 nan 8.370 nan 0.000 0.478 48 P HA -0.172 nan 4.420 nan 0.000 0.216 48 P C 1.032 178.207 177.300 -0.208 0.000 1.154 48 P CA 1.578 64.595 63.100 -0.138 0.000 0.865 48 P CB 0.227 31.846 31.700 -0.134 0.000 0.789 49 R N -2.138 118.183 120.500 -0.299 0.000 2.096 49 R HA -0.099 4.705 4.340 0.773 0.000 0.235 49 R C 2.186 178.161 176.300 -0.542 0.000 1.127 49 R CA 1.078 56.806 56.100 -0.620 0.000 0.968 49 R CB -1.381 28.218 30.300 -1.168 0.000 0.861 49 R HN 0.184 nan 8.270 nan 0.000 0.440 50 F N 1.134 120.883 119.950 -0.335 0.000 2.146 50 F HA -0.010 4.981 4.527 0.773 0.000 0.298 50 F C 1.647 177.500 175.800 0.089 0.000 1.096 50 F CA 1.216 59.239 58.000 0.038 0.000 1.275 50 F CB -0.163 38.969 39.000 0.220 0.000 1.008 50 F HN -0.118 nan 8.300 nan 0.000 0.480 51 L N -1.165 120.031 121.223 -0.046 0.000 2.141 51 L HA -0.183 4.621 4.340 0.773 0.000 0.209 51 L C 2.669 179.382 176.870 -0.262 0.000 1.094 51 L CA 1.355 56.012 54.840 -0.305 0.000 0.763 51 L CB -1.027 40.695 42.059 -0.561 0.000 0.908 51 L HN 0.160 nan 8.230 nan 0.000 0.437 52 S N -0.041 115.537 115.700 -0.204 0.000 2.368 52 S HA -0.202 4.732 4.470 0.773 0.000 0.224 52 S C 1.950 176.505 174.600 -0.075 0.000 1.029 52 S CA 1.076 59.185 58.200 -0.152 0.000 0.988 52 S CB -0.291 62.797 63.200 -0.188 0.000 0.838 52 S HN 0.422 nan 8.310 nan 0.000 0.462 53 F N 2.220 122.032 119.950 -0.230 0.000 2.069 53 F HA -0.047 4.944 4.527 0.773 0.000 0.298 53 F C 2.103 177.818 175.800 -0.142 0.000 1.113 53 F CA 1.885 59.780 58.000 -0.175 0.000 1.214 53 F CB -0.540 38.375 39.000 -0.141 0.000 0.978 53 F HN 0.109 nan 8.300 nan 0.000 0.474 54 K N 0.021 120.239 120.400 -0.303 0.000 2.103 54 K HA -0.252 4.532 4.320 0.773 0.000 0.207 54 K C 1.948 178.497 176.600 -0.084 0.000 1.048 54 K CA 1.608 57.714 56.287 -0.302 0.000 0.930 54 K CB -0.506 31.977 32.500 -0.029 0.000 0.716 54 K HN 0.359 nan 8.250 nan 0.000 0.444 55 N N 1.353 120.110 118.700 0.096 0.000 2.058 55 N HA -0.227 4.977 4.740 0.773 0.000 0.191 55 N C 1.758 177.296 175.510 0.048 0.000 1.037 55 N CA 1.754 54.887 53.050 0.139 0.000 0.848 55 N CB -0.020 38.562 38.487 0.158 0.000 1.021 55 N HN 0.211 nan 8.380 nan 0.000 0.422 56 E N -0.668 119.516 120.200 -0.026 0.000 2.051 56 E HA -0.186 4.628 4.350 0.773 0.000 0.192 56 E C 1.966 178.541 176.600 -0.042 0.000 0.991 56 E CA 0.960 57.351 56.400 -0.014 0.000 0.799 56 E CB -0.217 29.460 29.700 -0.038 0.000 0.748 56 E HN 0.379 nan 8.360 nan 0.000 0.449 57 L N 0.997 122.068 121.223 -0.253 0.000 2.046 57 L HA -0.174 4.630 4.340 0.773 0.000 0.208 57 L C 2.494 179.310 176.870 -0.090 0.000 1.077 57 L CA 2.363 57.036 54.840 -0.279 0.000 0.747 57 L CB -0.653 40.977 42.059 -0.715 0.000 0.896 57 L HN 0.246 nan 8.230 nan 0.000 0.432 58 S N -0.849 114.830 115.700 -0.035 0.000 2.368 58 S HA -0.204 4.730 4.470 0.773 0.000 0.224 58 S C 2.147 176.909 174.600 0.269 0.000 1.029 58 S CA 1.043 59.324 58.200 0.135 0.000 0.988 58 S CB -0.579 62.766 63.200 0.240 0.000 0.838 58 S HN 0.507 nan 8.310 nan 0.000 0.462 59 R N -0.431 120.283 120.500 0.356 0.000 2.066 59 R HA 0.015 4.819 4.340 0.773 0.000 0.232 59 R C 2.362 178.827 176.300 0.274 0.000 1.131 59 R CA 1.545 57.911 56.100 0.443 0.000 0.955 59 R CB -0.673 29.847 30.300 0.367 0.000 0.851 59 R HN 0.567 nan 8.270 nan 0.000 0.432 60 Y N 1.550 121.917 120.300 0.112 0.000 2.128 60 Y HA -0.203 4.811 4.550 0.773 0.000 0.284 60 Y C 1.907 177.866 175.900 0.099 0.000 1.154 60 Y CA 1.566 59.733 58.100 0.111 0.000 1.149 60 Y CB -0.183 38.281 38.460 0.007 0.000 0.976 60 Y HN -0.042 nan 8.280 nan 0.000 0.505 61 L N -1.079 120.146 121.223 0.004 0.000 2.093 61 L HA -0.210 4.594 4.340 0.773 0.000 0.208 61 L C 2.306 179.100 176.870 -0.128 0.000 1.085 61 L CA 1.712 56.410 54.840 -0.237 0.000 0.755 61 L CB -0.890 40.597 42.059 -0.953 0.000 0.904 61 L HN 0.223 nan 8.230 nan 0.000 0.435 62 T N -1.082 113.468 114.554 -0.007 0.000 2.708 62 T HA -0.222 4.592 4.350 0.773 0.000 0.266 62 T C 1.501 176.208 174.700 0.012 0.000 1.037 62 T CA 1.775 63.922 62.100 0.078 0.000 1.146 62 T CB -0.232 68.459 68.868 -0.295 0.000 0.865 62 T HN 0.335 nan 8.240 nan 0.000 0.435 63 D N 0.301 120.680 120.400 -0.035 0.000 2.117 63 D HA -0.117 4.987 4.640 0.773 0.000 0.197 63 D C 1.798 177.877 176.300 -0.369 0.000 0.987 63 D CA 1.267 55.177 54.000 -0.150 0.000 0.829 63 D CB -0.106 40.611 40.800 -0.139 0.000 0.961 63 D HN 0.488 nan 8.370 nan 0.000 0.460 64 H N -2.196 116.570 119.070 -0.507 0.000 2.544 64 H HA 0.229 5.249 4.556 0.773 0.000 0.269 64 H C -0.111 174.626 175.328 -0.985 0.000 0.970 64 H CA 0.541 56.099 56.048 -0.816 0.000 1.219 64 H CB 0.226 29.248 29.762 -1.234 0.000 1.421 64 H HN 0.082 nan 8.280 nan 0.000 0.555 65 F N 1.896 121.847 119.950 0.003 0.000 2.622 65 F HA 0.285 5.276 4.527 0.773 0.000 0.338 65 F C -2.401 173.479 175.800 0.134 0.000 1.334 65 F CA -2.947 55.102 58.000 0.083 0.000 1.179 65 F CB 0.745 39.823 39.000 0.129 0.000 1.471 65 F HN -0.092 nan 8.300 nan 0.000 0.576 66 P HA 0.136 nan 4.420 nan 0.000 0.269 66 P C -0.022 177.325 177.300 0.078 0.000 1.215 66 P CA -0.085 63.067 63.100 0.086 0.000 0.780 66 P CB 1.094 32.811 31.700 0.027 0.000 0.898 67 A N 3.029 125.868 122.820 0.031 0.000 2.520 67 A HA 0.044 4.828 4.320 0.773 0.000 0.235 67 A C 0.340 177.884 177.584 -0.067 0.000 1.065 67 A CA 0.028 52.053 52.037 -0.020 0.000 0.764 67 A CB -0.796 18.195 19.000 -0.015 0.000 1.002 67 A HN 0.639 nan 8.150 nan 0.000 0.502 68 N N 0.923 119.501 118.700 -0.204 0.000 2.851 68 N HA 0.434 5.638 4.740 0.773 0.000 0.248 68 N C -1.582 173.618 175.510 -0.517 0.000 1.221 68 N CA -0.276 52.437 53.050 -0.562 0.000 0.847 68 N CB 1.403 39.319 38.487 -0.952 0.000 1.150 68 N HN 0.349 nan 8.380 nan 0.000 0.507 69 V N 1.473 121.347 119.914 -0.066 0.000 2.531 69 V HA 0.196 4.780 4.120 0.773 0.000 0.301 69 V C -0.164 176.088 176.094 0.263 0.000 1.034 69 V CA -0.978 61.360 62.300 0.063 0.000 0.865 69 V CB 1.714 33.430 31.823 -0.179 0.000 0.995 69 V HN 0.527 nan 8.190 nan 0.000 0.424 70 D N 2.770 123.365 120.400 0.325 0.000 2.447 70 D HA 0.153 5.257 4.640 0.773 0.000 0.265 70 D C 0.890 177.279 176.300 0.148 0.000 1.250 70 D CA -0.539 53.592 54.000 0.218 0.000 1.046 70 D CB 0.753 41.617 40.800 0.108 0.000 1.095 70 D HN 0.500 nan 8.370 nan 0.000 0.555 71 E N -1.391 118.854 120.200 0.076 0.000 2.331 71 E HA -0.174 4.640 4.350 0.773 0.000 0.199 71 E C 0.585 177.007 176.600 -0.297 0.000 1.008 71 E CA 1.164 57.522 56.400 -0.071 0.000 0.843 71 E CB -0.592 28.997 29.700 -0.185 0.000 0.761 71 E HN 0.487 nan 8.360 nan 0.000 0.507 72 Y N -0.380 119.833 120.300 -0.145 0.000 2.524 72 Y HA 0.326 5.341 4.550 0.774 0.000 0.266 72 Y C 1.479 177.361 175.900 -0.029 0.000 1.180 72 Y CA 0.020 57.920 58.100 -0.333 0.000 1.244 72 Y CB 0.714 38.890 38.460 -0.472 0.000 1.125 72 Y HN 0.116 nan 8.280 nan 0.000 0.524 73 G N 1.096 110.040 108.800 0.239 0.000 2.168 73 G HA2 -0.342 4.082 3.960 0.773 0.000 0.257 73 G HA3 -0.342 4.082 3.960 0.773 0.000 0.257 73 G C 0.042 175.075 174.900 0.221 0.000 0.997 73 G CA -0.184 45.087 45.100 0.285 0.000 0.708 73 G HN 0.337 nan 8.290 nan 0.000 0.520 74 R N -0.381 120.244 120.500 0.208 0.000 2.312 74 R HA 0.616 5.420 4.340 0.773 0.000 0.311 74 R C 0.576 177.039 176.300 0.271 0.000 1.004 74 R CA -0.183 56.058 56.100 0.234 0.000 0.902 74 R CB 2.146 32.426 30.300 -0.033 0.000 1.073 74 R HN 0.602 nan 8.270 nan 0.000 0.457 75 V N 3.562 123.637 119.914 0.268 0.000 2.686 75 V HA 0.616 5.200 4.120 0.773 0.000 0.295 75 V C -0.875 175.382 176.094 0.271 0.000 1.057 75 V CA -0.127 62.268 62.300 0.158 0.000 1.012 75 V CB 0.574 32.420 31.823 0.038 0.000 1.006 75 V HN 0.818 nan 8.190 nan 0.000 0.477 76 Y N 2.843 123.213 120.300 0.117 0.000 2.889 76 Y HA 0.926 5.940 4.550 0.772 0.000 0.317 76 Y C 0.902 176.859 175.900 0.094 0.000 1.414 76 Y CA -0.436 57.734 58.100 0.116 0.000 1.091 76 Y CB 0.453 38.979 38.460 0.110 0.000 1.358 76 Y HN 1.452 nan 8.280 nan 0.000 0.487 77 G N 1.831 110.753 108.800 0.204 0.000 2.634 77 G HA2 -0.482 3.942 3.960 0.773 0.000 0.318 77 G HA3 -0.482 3.942 3.960 0.773 0.000 0.318 77 G C 0.648 175.570 174.900 0.036 0.000 1.207 77 G CA 1.216 46.377 45.100 0.102 0.000 0.987 77 G HN 1.556 nan 8.290 nan 0.000 0.547 78 N N 2.520 121.225 118.700 0.007 0.000 2.573 78 N HA 0.300 5.504 4.740 0.773 0.000 0.187 78 N C 1.892 177.422 175.510 0.034 0.000 1.107 78 N CA 1.896 54.986 53.050 0.067 0.000 0.918 78 N CB -0.613 37.971 38.487 0.162 0.000 0.966 78 N HN 2.393 nan 8.380 nan 0.000 0.448 79 G N -1.251 107.538 108.800 -0.017 0.000 2.153 79 G HA2 -0.258 4.166 3.960 0.773 0.000 0.252 79 G HA3 -0.258 4.166 3.960 0.773 0.000 0.252 79 G C -0.356 174.544 174.900 0.000 0.000 0.994 79 G CA 0.438 45.539 45.100 0.001 0.000 0.698 79 G HN 0.357 nan 8.290 nan 0.000 0.521 80 V N 0.641 120.544 119.914 -0.018 0.000 2.481 80 V HA 0.549 5.133 4.120 0.773 0.000 0.286 80 V C 1.349 177.391 176.094 -0.086 0.000 1.042 80 V CA 0.175 62.455 62.300 -0.033 0.000 0.928 80 V CB 1.530 33.386 31.823 0.056 0.000 0.986 80 V HN 0.561 nan 8.190 nan 0.000 0.462 81 R N 1.894 122.329 120.500 -0.109 0.000 2.437 81 R HA 0.420 5.224 4.340 0.773 0.000 0.257 81 R C 0.389 176.644 176.300 -0.075 0.000 0.927 81 R CA -0.028 56.023 56.100 -0.081 0.000 1.078 81 R CB 0.888 31.160 30.300 -0.046 0.000 1.161 81 R HN 0.621 nan 8.270 nan 0.000 0.529 82 T N 0.330 114.784 114.554 -0.167 0.000 2.677 82 T HA 0.145 4.958 4.350 0.773 0.000 0.305 82 T C -1.629 172.874 174.700 -0.329 0.000 1.569 82 T CA -0.774 61.228 62.100 -0.163 0.000 0.984 82 T CB 0.974 69.772 68.868 -0.117 0.000 1.629 82 T HN 0.400 nan 8.240 nan 0.000 0.494 83 N N 0.216 118.767 118.700 -0.249 0.000 2.288 83 N HA 0.276 5.480 4.740 0.773 0.000 0.237 83 N C -0.066 175.154 175.510 -0.483 0.000 1.311 83 N CA -0.027 52.814 53.050 -0.349 0.000 0.909 83 N CB -0.067 38.191 38.487 -0.382 0.000 1.167 83 N HN 0.486 nan 8.380 nan 0.000 0.476 84 F N -1.739 117.962 119.950 -0.415 0.000 2.647 84 F HA 0.385 5.377 4.527 0.774 0.000 0.300 84 F C 0.525 176.274 175.800 -0.085 0.000 1.106 84 F CA -0.547 57.341 58.000 -0.187 0.000 1.313 84 F CB -0.432 38.502 39.000 -0.109 0.000 1.007 84 F HN 0.375 nan 8.300 nan 0.000 0.536 85 F N -0.386 119.671 119.950 0.179 0.000 2.699 85 F HA 0.035 5.026 4.527 0.774 0.000 0.298 85 F C 2.346 178.174 175.800 0.046 0.000 1.154 85 F CA 0.244 58.292 58.000 0.080 0.000 1.457 85 F CB -0.419 38.661 39.000 0.134 0.000 1.106 85 F HN 0.148 nan 8.300 nan 0.000 0.585 86 G N 1.302 110.242 108.800 0.233 0.000 2.501 86 G HA2 -0.269 4.155 3.960 0.773 0.000 0.220 86 G HA3 -0.269 4.155 3.960 0.773 0.000 0.220 86 G C 1.580 176.624 174.900 0.240 0.000 1.114 86 G CA 0.795 46.020 45.100 0.209 0.000 0.757 86 G HN 0.510 nan 8.290 nan 0.000 0.559 87 M N -0.693 119.027 119.600 0.202 0.000 2.618 87 M HA 0.306 5.250 4.480 0.773 0.000 0.240 87 M C 1.171 177.553 176.300 0.136 0.000 1.123 87 M CA 0.350 55.767 55.300 0.195 0.000 1.060 87 M CB 0.170 32.875 32.600 0.176 0.000 1.535 87 M HN -0.121 nan 8.290 nan 0.000 0.507 88 R N 2.094 122.582 120.500 -0.020 0.000 4.779 88 R HA 0.215 5.019 4.340 0.773 0.000 0.217 88 R C -0.756 175.319 176.300 -0.376 0.000 1.934 88 R CA 0.118 55.850 56.100 -0.612 0.000 1.623 88 R CB -0.558 29.127 30.300 -1.026 0.000 1.364 88 R HN 0.531 nan 8.270 nan 0.000 0.799 89 H N 0.474 119.582 119.070 0.063 0.000 2.690 89 H HA 0.256 5.276 4.556 0.773 0.000 0.368 89 H C 0.150 175.675 175.328 0.328 0.000 1.150 89 H CA -1.068 55.109 56.048 0.215 0.000 1.174 89 H CB 1.993 31.862 29.762 0.177 0.000 1.684 89 H HN -0.054 nan 8.280 nan 0.000 0.538 90 M N 2.651 122.507 119.600 0.426 0.000 3.011 90 M HA 0.086 5.030 4.480 0.773 0.000 0.292 90 M C -0.246 176.324 176.300 0.451 0.000 1.440 90 M CA -0.033 55.519 55.300 0.420 0.000 1.552 90 M CB -1.802 30.996 32.600 0.331 0.000 1.187 90 M HN 0.429 nan 8.290 nan 0.000 0.520 91 N N 1.399 120.318 118.700 0.365 0.000 2.359 91 N HA 0.206 5.410 4.740 0.773 0.000 0.261 91 N C 1.239 176.817 175.510 0.113 0.000 1.267 91 N CA 1.015 54.204 53.050 0.233 0.000 0.864 91 N CB 0.300 38.915 38.487 0.214 0.000 1.063 91 N HN 0.866 nan 8.380 nan 0.000 0.474 92 G N 1.388 110.185 108.800 -0.004 0.000 2.218 92 G HA2 -0.242 4.182 3.960 0.773 0.000 0.216 92 G HA3 -0.242 4.182 3.960 0.773 0.000 0.216 92 G C -0.284 174.371 174.900 -0.407 0.000 0.994 92 G CA -0.631 44.319 45.100 -0.250 0.000 0.637 92 G HN 0.474 nan 8.290 nan 0.000 0.505 93 F N 3.419 123.412 119.950 0.073 0.000 2.403 93 F HA 0.532 5.523 4.527 0.773 0.000 0.355 93 F C -1.690 174.197 175.800 0.145 0.000 1.119 93 F CA -2.164 55.902 58.000 0.111 0.000 1.007 93 F CB 2.426 41.510 39.000 0.140 0.000 1.194 93 F HN -0.111 nan 8.300 nan 0.000 0.443 94 P HA 0.240 nan 4.420 nan 0.000 0.278 94 P C -0.639 176.809 177.300 0.248 0.000 1.258 94 P CA -0.698 62.544 63.100 0.237 0.000 0.811 94 P CB 1.341 33.154 31.700 0.187 0.000 1.063 95 M N 0.531 120.231 119.600 0.167 0.000 2.248 95 M HA 0.392 5.335 4.480 0.773 0.000 0.337 95 M C -0.489 175.864 176.300 0.087 0.000 1.121 95 M CA 0.462 55.837 55.300 0.123 0.000 1.155 95 M CB -0.124 32.519 32.600 0.072 0.000 1.514 95 M HN 0.041 nan 8.290 nan 0.000 0.452 96 I N 3.515 124.120 120.570 0.059 0.000 2.436 96 I HA 0.571 5.205 4.170 0.773 0.000 0.289 96 I C -2.253 173.877 176.117 0.022 0.000 1.010 96 I CA -2.291 59.008 61.300 -0.001 0.000 1.098 96 I CB 1.353 39.322 38.000 -0.050 0.000 1.266 96 I HN 0.646 nan 8.210 nan 0.000 0.434 97 P HA 0.516 nan 4.420 nan 0.000 0.285 97 P C -0.768 176.452 177.300 -0.134 0.000 1.285 97 P CA -0.444 62.622 63.100 -0.056 0.000 0.854 97 P CB 1.925 33.650 31.700 0.041 0.000 1.180 98 A N 0.218 122.881 122.820 -0.262 0.000 2.259 98 A HA 0.491 5.275 4.320 0.773 0.000 0.278 98 A C 0.435 177.850 177.584 -0.281 0.000 1.107 98 A CA -0.187 51.630 52.037 -0.367 0.000 0.828 98 A CB -0.489 17.989 19.000 -0.870 0.000 1.111 98 A HN 0.526 nan 8.150 nan 0.000 0.498 99 T N -0.796 113.660 114.554 -0.163 0.000 2.913 99 T HA 0.392 5.206 4.350 0.773 0.000 0.287 99 T C -0.909 173.841 174.700 0.084 0.000 1.008 99 T CA -0.018 62.071 62.100 -0.019 0.000 1.067 99 T CB 0.024 68.887 68.868 -0.007 0.000 0.996 99 T HN 0.380 nan 8.240 nan 0.000 0.513 100 W N 5.040 126.371 121.300 0.051 0.000 2.365 100 W HA 0.392 5.516 4.660 0.773 0.000 0.316 100 W C -1.850 174.716 176.519 0.079 0.000 1.164 100 W CA -2.012 55.401 57.345 0.113 0.000 1.204 100 W CB 0.655 30.191 29.460 0.128 0.000 1.213 100 W HN 0.477 nan 8.180 nan 0.000 0.539 101 P HA 0.065 nan 4.420 nan 0.000 0.276 101 P C -0.635 176.752 177.300 0.146 0.000 1.230 101 P CA -0.338 62.846 63.100 0.139 0.000 0.776 101 P CB 1.066 32.801 31.700 0.058 0.000 0.888 102 L N 3.146 124.425 121.223 0.094 0.000 2.534 102 L HA 0.056 4.860 4.340 0.773 0.000 0.271 102 L C 1.818 178.707 176.870 0.031 0.000 1.178 102 L CA 0.574 55.454 54.840 0.067 0.000 0.907 102 L CB -0.104 41.979 42.059 0.041 0.000 1.164 102 L HN 0.509 nan 8.230 nan 0.000 0.482 103 A N 2.586 125.412 122.820 0.011 0.000 2.066 103 A HA 0.061 4.845 4.320 0.773 0.000 0.218 103 A C 1.059 178.638 177.584 -0.009 0.000 1.157 103 A CA 1.112 53.152 52.037 0.005 0.000 0.670 103 A CB -0.054 18.936 19.000 -0.018 0.000 0.804 103 A HN 0.591 nan 8.150 nan 0.000 0.453 104 S N -0.429 115.255 115.700 -0.026 0.000 2.619 104 S HA 0.390 5.323 4.470 0.773 0.000 0.280 104 S C -0.228 174.355 174.600 -0.029 0.000 1.150 104 S CA -0.334 57.851 58.200 -0.024 0.000 0.978 104 S CB 0.835 64.014 63.200 -0.034 0.000 1.041 104 S HN 0.446 nan 8.310 nan 0.000 0.485 105 N N 5.633 124.325 118.700 -0.014 0.000 2.235 105 N HA 0.137 5.341 4.740 0.773 0.000 0.209 105 N C 1.135 176.657 175.510 0.020 0.000 1.122 105 N CA -0.132 52.907 53.050 -0.018 0.000 0.845 105 N CB -0.346 38.125 38.487 -0.026 0.000 1.004 105 N HN 0.605 nan 8.380 nan 0.000 0.499 106 L N 0.364 121.600 121.223 0.022 0.000 2.017 106 L HA -0.110 4.694 4.340 0.773 0.000 0.208 106 L C 2.573 179.473 176.870 0.050 0.000 1.073 106 L CA 1.502 56.370 54.840 0.047 0.000 0.745 106 L CB -0.399 41.681 42.059 0.035 0.000 0.894 106 L HN 0.255 nan 8.230 nan 0.000 0.432 107 K N 0.782 121.190 120.400 0.013 0.000 2.097 107 K HA -0.230 4.553 4.320 0.773 0.000 0.205 107 K C 2.236 178.862 176.600 0.043 0.000 1.050 107 K CA 1.367 57.660 56.287 0.010 0.000 0.938 107 K CB 0.017 32.491 32.500 -0.042 0.000 0.718 107 K HN 0.113 nan 8.250 nan 0.000 0.442 108 K N 0.697 121.120 120.400 0.038 0.000 2.057 108 K HA -0.158 4.626 4.320 0.773 0.000 0.207 108 K C 2.138 178.884 176.600 0.244 0.000 1.049 108 K CA 1.344 57.675 56.287 0.073 0.000 0.931 108 K CB 0.022 32.481 32.500 -0.068 0.000 0.714 108 K HN 0.131 nan 8.250 nan 0.000 0.440 109 R N -0.130 120.521 120.500 0.252 0.000 2.066 109 R HA -0.072 4.732 4.340 0.773 0.000 0.232 109 R C 2.431 178.849 176.300 0.197 0.000 1.131 109 R CA 1.214 57.506 56.100 0.321 0.000 0.955 109 R CB -0.328 30.127 30.300 0.258 0.000 0.851 109 R HN 0.243 nan 8.270 nan 0.000 0.432 110 A N 1.528 124.429 122.820 0.136 0.000 1.902 110 A HA -0.189 4.594 4.320 0.773 0.000 0.217 110 A C 1.488 179.123 177.584 0.086 0.000 1.181 110 A CA 1.837 53.929 52.037 0.091 0.000 0.623 110 A CB -0.397 18.640 19.000 0.062 0.000 0.818 110 A HN 0.172 nan 8.150 nan 0.000 0.443 111 D N -0.100 120.359 120.400 0.098 0.000 2.264 111 D HA 0.043 5.147 4.640 0.773 0.000 0.208 111 D C 1.701 178.068 176.300 0.111 0.000 0.966 111 D CA 1.227 55.282 54.000 0.092 0.000 0.864 111 D CB -0.200 40.654 40.800 0.090 0.000 0.933 111 D HN 0.449 nan 8.370 nan 0.000 0.499 112 A N -0.046 122.865 122.820 0.152 0.000 2.307 112 A HA 0.011 4.795 4.320 0.773 0.000 0.218 112 A C 0.447 178.060 177.584 0.047 0.000 1.228 112 A CA 0.053 52.164 52.037 0.123 0.000 0.857 112 A CB 0.101 19.205 19.000 0.174 0.000 0.897 112 A HN 0.036 nan 8.150 nan 0.000 0.495 113 D N -0.744 119.689 120.400 0.053 0.000 2.835 113 D HA -0.124 4.980 4.640 0.773 0.000 0.230 113 D C -0.558 175.749 176.300 0.011 0.000 1.130 113 D CA 0.687 54.702 54.000 0.026 0.000 0.738 113 D CB -1.023 39.785 40.800 0.013 0.000 1.090 113 D HN 0.436 nan 8.370 nan 0.000 0.433 114 L N 0.196 121.440 121.223 0.036 0.000 2.334 114 L HA 0.649 5.452 4.340 0.773 0.000 0.275 114 L C 1.089 178.017 176.870 0.097 0.000 1.036 114 L CA -0.733 54.135 54.840 0.048 0.000 0.807 114 L CB 1.511 43.602 42.059 0.054 0.000 1.231 114 L HN 0.016 nan 8.230 nan 0.000 0.438 115 A N 0.865 123.753 122.820 0.114 0.000 2.386 115 A HA 0.208 4.992 4.320 0.773 0.000 0.248 115 A C 0.229 177.931 177.584 0.196 0.000 1.082 115 A CA -0.320 51.777 52.037 0.100 0.000 0.789 115 A CB 0.127 19.147 19.000 0.033 0.000 1.025 115 A HN 0.839 nan 8.150 nan 0.000 0.490 116 D N 0.046 120.442 120.400 -0.006 0.000 2.395 116 D HA 0.432 5.535 4.640 0.773 0.000 0.226 116 D C 0.333 176.194 176.300 -0.733 0.000 1.146 116 D CA 0.526 54.495 54.000 -0.052 0.000 0.830 116 D CB -0.098 40.705 40.800 0.005 0.000 0.958 116 D HN 0.893 nan 8.370 nan 0.000 0.501 117 G N -0.557 107.489 108.800 -1.257 0.000 2.328 117 G HA2 0.367 4.791 3.960 0.773 0.000 0.295 117 G HA3 0.367 4.791 3.960 0.773 0.000 0.295 117 G C -3.247 170.960 174.900 -1.156 0.000 1.413 117 G CA -1.167 42.884 45.100 -1.749 0.000 0.817 117 G HN -0.130 nan 8.290 nan 0.000 0.546 118 P HA 0.195 nan 4.420 nan 0.000 0.264 118 P C 1.269 178.540 177.300 -0.049 0.000 1.193 118 P CA -0.060 62.921 63.100 -0.199 0.000 0.763 118 P CB 1.394 33.049 31.700 -0.074 0.000 0.810 119 V N 1.802 121.801 119.914 0.143 0.000 2.871 119 V HA 0.007 4.591 4.120 0.773 0.000 0.256 119 V C 0.538 176.627 176.094 -0.009 0.000 1.082 119 V CA 1.861 64.162 62.300 0.002 0.000 1.105 119 V CB -0.506 31.284 31.823 -0.055 0.000 0.713 119 V HN 0.605 nan 8.190 nan 0.000 0.473 120 S N -1.303 114.415 115.700 0.030 0.000 2.667 120 S HA 0.546 5.480 4.470 0.773 0.000 0.292 120 S C 0.463 175.064 174.600 0.002 0.000 1.126 120 S CA 0.150 58.349 58.200 -0.002 0.000 0.881 120 S CB 1.750 64.942 63.200 -0.013 0.000 1.132 120 S HN 0.212 nan 8.310 nan 0.000 0.492 121 E N 1.060 121.250 120.200 -0.017 0.000 2.150 121 E HA -0.097 4.717 4.350 0.773 0.000 0.193 121 E C 1.953 178.542 176.600 -0.018 0.000 0.985 121 E CA 1.406 57.796 56.400 -0.017 0.000 0.814 121 E CB -0.175 29.510 29.700 -0.025 0.000 0.752 121 E HN 0.650 nan 8.360 nan 0.000 0.466 122 R N 0.222 120.702 120.500 -0.035 0.000 2.070 122 R HA -0.157 4.647 4.340 0.773 0.000 0.233 122 R C 1.311 177.578 176.300 -0.056 0.000 1.137 122 R CA 1.969 58.031 56.100 -0.063 0.000 0.945 122 R CB -0.315 29.931 30.300 -0.090 0.000 0.845 122 R HN 0.161 nan 8.270 nan 0.000 0.430 123 D N 0.162 120.556 120.400 -0.012 0.000 2.123 123 D HA -0.170 4.934 4.640 0.773 0.000 0.196 123 D C 1.580 177.932 176.300 0.086 0.000 0.992 123 D CA 1.276 55.278 54.000 0.004 0.000 0.833 123 D CB -0.579 40.343 40.800 0.204 0.000 0.954 123 D HN 0.287 nan 8.370 nan 0.000 0.455 124 N N 0.190 118.961 118.700 0.118 0.000 2.104 124 N HA -0.104 5.100 4.740 0.773 0.000 0.190 124 N C 1.720 177.289 175.510 0.099 0.000 1.024 124 N CA 0.812 53.947 53.050 0.141 0.000 0.853 124 N CB -0.245 38.273 38.487 0.052 0.000 1.008 124 N HN 0.149 nan 8.380 nan 0.000 0.424 125 L N -0.232 121.006 121.223 0.025 0.000 2.093 125 L HA -0.080 4.724 4.340 0.773 0.000 0.208 125 L C 2.186 179.042 176.870 -0.023 0.000 1.085 125 L CA 0.639 55.479 54.840 -0.000 0.000 0.755 125 L CB -0.334 41.708 42.059 -0.029 0.000 0.904 125 L HN 0.232 nan 8.230 nan 0.000 0.435 126 L N -1.533 119.639 121.223 -0.085 0.000 2.044 126 L HA -0.172 4.632 4.340 0.773 0.000 0.205 126 L C 2.502 179.288 176.870 -0.141 0.000 1.075 126 L CA 1.329 56.065 54.840 -0.174 0.000 0.747 126 L CB -0.545 41.342 42.059 -0.286 0.000 0.903 126 L HN 0.087 nan 8.230 nan 0.000 0.435 127 F N 0.311 120.256 119.950 -0.008 0.000 2.095 127 F HA -0.251 4.745 4.527 0.782 0.000 0.298 127 F C 2.795 178.614 175.800 0.032 0.000 1.104 127 F CA 1.325 59.340 58.000 0.025 0.000 1.232 127 F CB -0.265 38.757 39.000 0.037 0.000 0.987 127 F HN -0.076 nan 8.300 nan 0.000 0.475 128 R N -0.033 120.588 120.500 0.202 0.000 2.115 128 R HA -0.101 4.703 4.340 0.773 0.000 0.230 128 R C 2.363 178.705 176.300 0.071 0.000 1.111 128 R CA 0.967 57.135 56.100 0.113 0.000 0.976 128 R CB -0.632 29.713 30.300 0.075 0.000 0.870 128 R HN 0.284 nan 8.270 nan 0.000 0.445 129 A N 1.306 124.142 122.820 0.027 0.000 1.930 129 A HA -0.076 4.708 4.320 0.773 0.000 0.217 129 A C 2.373 179.951 177.584 -0.010 0.000 1.175 129 A CA 1.512 53.538 52.037 -0.018 0.000 0.627 129 A CB -0.558 18.387 19.000 -0.091 0.000 0.815 129 A HN 0.372 nan 8.150 nan 0.000 0.443 130 A N -0.388 122.438 122.820 0.011 0.000 1.908 130 A HA -0.048 4.736 4.320 0.773 0.000 0.218 130 A C 2.215 179.984 177.584 0.308 0.000 1.181 130 A CA 1.887 54.026 52.037 0.171 0.000 0.627 130 A CB -0.991 18.204 19.000 0.325 0.000 0.818 130 A HN 0.415 nan 8.150 nan 0.000 0.445 131 V N 0.134 120.186 119.914 0.229 0.000 2.343 131 V HA -0.287 4.297 4.120 0.773 0.000 0.247 131 V C 2.642 178.876 176.094 0.234 0.000 1.051 131 V CA 2.287 64.708 62.300 0.203 0.000 1.036 131 V CB -0.862 30.963 31.823 0.003 0.000 0.654 131 V HN 0.538 nan 8.190 nan 0.000 0.451 132 R N -0.319 120.275 120.500 0.158 0.000 2.092 132 R HA -0.023 4.781 4.340 0.773 0.000 0.231 132 R C 2.274 178.702 176.300 0.214 0.000 1.119 132 R CA 1.212 57.406 56.100 0.157 0.000 0.970 132 R CB -0.366 29.993 30.300 0.098 0.000 0.864 132 R HN 0.420 nan 8.270 nan 0.000 0.440 133 L N 0.076 121.438 121.223 0.232 0.000 2.109 133 L HA -0.086 4.718 4.340 0.773 0.000 0.207 133 L C 2.504 179.603 176.870 0.382 0.000 1.086 133 L CA 1.153 56.186 54.840 0.321 0.000 0.760 133 L CB -0.292 41.947 42.059 0.301 0.000 0.910 133 L HN 0.224 nan 8.230 nan 0.000 0.437 134 M N -1.218 118.600 119.600 0.363 0.000 2.200 134 M HA -0.100 4.844 4.480 0.773 0.000 0.265 134 M C 1.212 177.481 176.300 -0.050 0.000 1.066 134 M CA 1.734 57.131 55.300 0.161 0.000 1.127 134 M CB -0.017 32.657 32.600 0.124 0.000 1.379 134 M HN 0.096 nan 8.290 nan 0.000 0.420 135 F N 0.132 120.116 119.950 0.058 0.000 2.639 135 F HA 0.158 5.148 4.527 0.772 0.000 0.300 135 F C 1.056 176.943 175.800 0.143 0.000 1.109 135 F CA -0.596 57.433 58.000 0.048 0.000 1.335 135 F CB -0.183 38.736 39.000 -0.135 0.000 1.014 135 F HN -0.056 nan 8.300 nan 0.000 0.537 136 S N -1.304 114.536 115.700 0.234 0.000 2.549 136 S HA 0.346 5.280 4.470 0.773 0.000 0.297 136 S C -0.269 174.382 174.600 0.085 0.000 1.115 136 S CA -0.824 57.476 58.200 0.167 0.000 1.059 136 S CB 1.412 64.705 63.200 0.155 0.000 1.046 136 S HN 0.265 nan 8.310 nan 0.000 0.506 137 D N 0.689 121.113 120.400 0.041 0.000 2.735 137 D HA -0.132 4.971 4.640 0.773 0.000 0.235 137 D C -0.660 175.632 176.300 -0.014 0.000 1.175 137 D CA 0.683 54.686 54.000 0.005 0.000 0.683 137 D CB -1.427 39.382 40.800 0.015 0.000 1.008 137 D HN 0.569 nan 8.370 nan 0.000 0.416 138 L N 0.423 121.628 121.223 -0.030 0.000 2.334 138 L HA 0.262 5.066 4.340 0.773 0.000 0.277 138 L C 1.074 177.911 176.870 -0.054 0.000 1.075 138 L CA -0.490 54.320 54.840 -0.050 0.000 0.804 138 L CB 1.027 43.049 42.059 -0.061 0.000 1.174 138 L HN -0.145 nan 8.230 nan 0.000 0.438 139 E N 3.773 123.944 120.200 -0.049 0.000 2.156 139 E HA 0.344 5.158 4.350 0.773 0.000 0.279 139 E C -2.278 174.304 176.600 -0.030 0.000 0.965 139 E CA -1.895 54.481 56.400 -0.039 0.000 0.789 139 E CB 1.368 31.047 29.700 -0.036 0.000 1.098 139 E HN 0.306 nan 8.360 nan 0.000 0.397 140 P HA 0.114 nan 4.420 nan 0.000 0.272 140 P C -0.331 176.975 177.300 0.009 0.000 1.223 140 P CA -0.226 62.877 63.100 0.004 0.000 0.784 140 P CB 0.909 32.616 31.700 0.012 0.000 0.923 141 V N -2.382 117.547 119.914 0.026 0.000 3.188 141 V HA 0.618 5.202 4.120 0.773 0.000 0.305 141 V C -2.862 173.259 176.094 0.045 0.000 1.232 141 V CA -2.719 59.595 62.300 0.024 0.000 1.043 141 V CB 1.595 33.425 31.823 0.012 0.000 1.068 141 V HN 0.400 nan 8.190 nan 0.000 0.439 142 P HA 0.255 nan 4.420 nan 0.000 0.275 142 P C -0.446 176.900 177.300 0.077 0.000 1.228 142 P CA -0.277 62.860 63.100 0.061 0.000 0.786 142 P CB 1.315 33.048 31.700 0.055 0.000 0.927 143 L N 3.029 124.303 121.223 0.085 0.000 2.369 143 L HA 0.129 4.933 4.340 0.773 0.000 0.279 143 L C 0.530 177.480 176.870 0.133 0.000 1.108 143 L CA -0.178 54.723 54.840 0.101 0.000 0.852 143 L CB 0.158 42.262 42.059 0.074 0.000 1.169 143 L HN 0.258 nan 8.230 nan 0.000 0.452 144 K N 6.683 127.171 120.400 0.148 0.000 2.130 144 K HA 0.554 5.338 4.320 0.773 0.000 0.268 144 K C -0.703 175.999 176.600 0.170 0.000 0.983 144 K CA -0.470 55.918 56.287 0.168 0.000 0.893 144 K CB 2.203 34.823 32.500 0.200 0.000 1.066 144 K HN 0.567 nan 8.250 nan 0.000 0.450 145 I N 2.145 122.806 120.570 0.152 0.000 2.466 145 I HA 0.265 4.899 4.170 0.773 0.000 0.289 145 I C 0.110 176.253 176.117 0.043 0.000 1.026 145 I CA -1.202 60.160 61.300 0.103 0.000 1.078 145 I CB 2.004 40.057 38.000 0.088 0.000 1.249 145 I HN 0.353 nan 8.210 nan 0.000 0.429 146 R N 6.009 126.509 120.500 0.001 0.000 2.484 146 R HA 0.114 4.918 4.340 0.773 0.000 0.293 146 R C -0.505 175.767 176.300 -0.047 0.000 1.023 146 R CA 0.166 56.249 56.100 -0.029 0.000 1.037 146 R CB 0.332 30.614 30.300 -0.030 0.000 0.951 146 R HN 0.421 nan 8.270 nan 0.000 0.418 147 K N 3.223 123.605 120.400 -0.030 0.000 2.401 147 K HA 0.196 4.979 4.320 0.773 0.000 0.278 147 K C 0.899 177.467 176.600 -0.054 0.000 1.018 147 K CA 0.757 57.028 56.287 -0.026 0.000 0.981 147 K CB 0.637 33.142 32.500 0.009 0.000 0.933 147 K HN 0.914 nan 8.250 nan 0.000 0.477 148 G N 1.336 110.098 108.800 -0.063 0.000 2.205 148 G HA2 -0.332 4.092 3.960 0.773 0.000 0.261 148 G HA3 -0.332 4.092 3.960 0.773 0.000 0.261 148 G C 0.206 175.054 174.900 -0.085 0.000 0.980 148 G CA 0.523 45.581 45.100 -0.070 0.000 0.632 148 G HN 0.727 nan 8.290 nan 0.000 0.533 149 S N -0.218 115.419 115.700 -0.105 0.000 2.576 149 S HA 0.633 5.567 4.470 0.773 0.000 0.276 149 S C 0.434 174.946 174.600 -0.147 0.000 1.339 149 S CA 0.692 58.823 58.200 -0.116 0.000 1.039 149 S CB 1.883 65.003 63.200 -0.132 0.000 0.902 149 S HN 1.464 nan 8.310 nan 0.000 0.516 150 S N 0.840 116.473 115.700 -0.113 0.000 2.586 150 S HA 0.347 5.281 4.470 0.773 0.000 0.274 150 S C 1.371 175.840 174.600 -0.219 0.000 1.281 150 S CA -0.128 58.000 58.200 -0.119 0.000 1.035 150 S CB 0.532 63.716 63.200 -0.027 0.000 0.962 150 S HN 0.994 nan 8.310 nan 0.000 0.512 151 T N 1.415 115.824 114.554 -0.242 0.000 3.148 151 T HA 0.130 4.944 4.350 0.773 0.000 0.253 151 T C 1.333 175.861 174.700 -0.286 0.000 1.134 151 T CA 0.378 62.344 62.100 -0.224 0.000 1.051 151 T CB -1.480 67.349 68.868 -0.065 0.000 0.959 151 T HN 0.781 nan 8.240 nan 0.000 0.525 152 C N 0.347 119.304 119.300 -0.572 0.000 0.168 152 C HA -0.246 4.678 4.460 0.773 0.000 0.017 152 C C 1.106 175.240 174.990 -1.427 0.000 0.171 152 C CA -0.692 57.578 59.018 -1.248 0.000 0.499 152 C CB -1.603 25.841 27.740 -0.494 0.000 3.212 152 C HN 0.739 nan 8.230 nan 0.000 1.118 153 I N 3.899 123.928 120.570 -0.901 0.000 2.683 153 I HA 0.094 4.728 4.170 0.773 0.000 0.286 153 I C -0.838 175.081 176.117 -0.330 0.000 1.175 153 I CA -0.109 60.890 61.300 -0.503 0.000 1.429 153 I CB 0.584 38.416 38.000 -0.280 0.000 1.371 153 I HN 0.586 nan 8.210 nan 0.000 0.569 154 P HA 0.016 nan 4.420 nan 0.000 0.272 154 P C 0.780 177.948 177.300 -0.221 0.000 1.276 154 P CA 0.610 63.504 63.100 -0.344 0.000 0.871 154 P CB 0.333 31.779 31.700 -0.423 0.000 1.313 155 Y N -0.949 119.343 120.300 -0.013 0.000 2.397 155 Y HA 0.229 5.242 4.550 0.773 0.000 0.292 155 Y C 0.937 176.938 175.900 0.167 0.000 1.115 155 Y CA -0.043 58.099 58.100 0.071 0.000 1.208 155 Y CB -1.111 37.352 38.460 0.005 0.000 1.046 155 Y HN -0.283 nan 8.280 nan 0.000 0.552 156 F N 0.349 120.347 119.950 0.080 0.000 3.067 156 F HA -0.269 4.722 4.527 0.773 0.000 0.279 156 F C 0.745 176.554 175.800 0.015 0.000 0.945 156 F CA 0.558 58.559 58.000 0.001 0.000 0.948 156 F CB -1.668 37.307 39.000 -0.042 0.000 0.898 156 F HN -0.006 nan 8.300 nan 0.000 0.746 157 S N -0.041 115.716 115.700 0.095 0.000 2.586 157 S HA 0.529 5.463 4.470 0.773 0.000 0.274 157 S C 0.859 175.444 174.600 -0.025 0.000 1.281 157 S CA -0.197 58.028 58.200 0.042 0.000 1.035 157 S CB 1.006 64.211 63.200 0.009 0.000 0.962 157 S HN 0.334 nan 8.310 nan 0.000 0.512 158 N N 1.799 120.481 118.700 -0.029 0.000 2.177 158 N HA 0.186 5.390 4.740 0.773 0.000 0.218 158 N C -1.259 174.210 175.510 -0.068 0.000 1.182 158 N CA -0.255 52.761 53.050 -0.058 0.000 0.882 158 N CB 0.474 38.940 38.487 -0.034 0.000 1.052 158 N HN 0.664 nan 8.380 nan 0.000 0.519 159 D N 0.470 120.832 120.400 -0.063 0.000 2.325 159 D HA 0.060 5.164 4.640 0.773 0.000 0.251 159 D C 1.229 177.475 176.300 -0.090 0.000 1.196 159 D CA -0.282 53.678 54.000 -0.066 0.000 0.866 159 D CB 0.735 41.501 40.800 -0.057 0.000 1.101 159 D HN -0.126 nan 8.370 nan 0.000 0.476 160 M N 3.869 123.411 119.600 -0.097 0.000 2.144 160 M HA -0.004 4.939 4.480 0.773 0.000 0.260 160 M C 1.818 178.024 176.300 -0.155 0.000 1.067 160 M CA 2.096 57.315 55.300 -0.135 0.000 1.095 160 M CB -0.717 31.795 32.600 -0.147 0.000 1.365 160 M HN 0.525 nan 8.290 nan 0.000 0.406 161 G N -1.820 106.904 108.800 -0.127 0.000 2.418 161 G HA2 -0.187 4.237 3.960 0.773 0.000 0.217 161 G HA3 -0.187 4.237 3.960 0.773 0.000 0.217 161 G C 1.431 176.278 174.900 -0.088 0.000 1.158 161 G CA 1.346 46.378 45.100 -0.113 0.000 0.771 161 G HN 0.503 nan 8.290 nan 0.000 0.545 162 T N 0.797 115.300 114.554 -0.084 0.000 2.777 162 T HA -0.045 4.768 4.350 0.773 0.000 0.266 162 T C 2.331 177.003 174.700 -0.046 0.000 1.040 162 T CA 1.321 63.372 62.100 -0.081 0.000 1.141 162 T CB -0.124 68.688 68.868 -0.095 0.000 0.868 162 T HN 0.302 nan 8.240 nan 0.000 0.444 163 K N 0.555 120.922 120.400 -0.054 0.000 2.097 163 K HA 0.006 4.790 4.320 0.773 0.000 0.206 163 K C 2.142 178.815 176.600 0.121 0.000 1.049 163 K CA 0.858 57.142 56.287 -0.004 0.000 0.933 163 K CB -0.179 32.218 32.500 -0.172 0.000 0.717 163 K HN 0.247 nan 8.250 nan 0.000 0.442 164 I N 1.946 122.526 120.570 0.017 0.000 2.252 164 I HA -0.213 4.421 4.170 0.773 0.000 0.245 164 I C 2.038 178.174 176.117 0.032 0.000 1.102 164 I CA 1.584 62.898 61.300 0.025 0.000 1.385 164 I CB -0.991 36.971 38.000 -0.064 0.000 1.064 164 I HN 0.240 nan 8.210 nan 0.000 0.414 165 E N 0.774 120.976 120.200 0.002 0.000 2.051 165 E HA -0.191 4.623 4.350 0.773 0.000 0.192 165 E C 2.377 178.982 176.600 0.008 0.000 0.991 165 E CA 1.113 57.508 56.400 -0.009 0.000 0.799 165 E CB -0.112 29.565 29.700 -0.039 0.000 0.748 165 E HN 0.424 nan 8.360 nan 0.000 0.449 166 I N 1.291 121.889 120.570 0.046 0.000 2.163 166 I HA -0.301 4.332 4.170 0.773 0.000 0.243 166 I C 2.582 178.714 176.117 0.024 0.000 1.085 166 I CA 1.095 62.443 61.300 0.079 0.000 1.347 166 I CB -0.305 37.826 38.000 0.219 0.000 1.044 166 I HN 0.096 nan 8.210 nan 0.000 0.408 167 A N 0.354 123.214 122.820 0.067 0.000 1.902 167 A HA -0.219 4.565 4.320 0.773 0.000 0.217 167 A C 2.199 179.722 177.584 -0.102 0.000 1.181 167 A CA 1.677 53.659 52.037 -0.091 0.000 0.623 167 A CB -0.571 18.463 19.000 0.058 0.000 0.818 167 A HN 0.458 nan 8.150 nan 0.000 0.443 168 E N -0.922 119.255 120.200 -0.038 0.000 2.072 168 E HA -0.211 4.603 4.350 0.773 0.000 0.191 168 E C 2.274 178.843 176.600 -0.052 0.000 0.985 168 E CA 1.223 57.598 56.400 -0.041 0.000 0.801 168 E CB -0.164 29.530 29.700 -0.010 0.000 0.750 168 E HN 0.483 nan 8.360 nan 0.000 0.452 169 R N 1.501 121.977 120.500 -0.040 0.000 2.081 169 R HA -0.109 4.695 4.340 0.773 0.000 0.235 169 R C 2.016 178.278 176.300 -0.063 0.000 1.131 169 R CA 1.702 57.782 56.100 -0.034 0.000 0.960 169 R CB -0.670 29.624 30.300 -0.010 0.000 0.856 169 R HN 0.145 nan 8.270 nan 0.000 0.436 170 A N 0.557 123.321 122.820 -0.094 0.000 1.902 170 A HA -0.065 4.719 4.320 0.773 0.000 0.217 170 A C 2.247 179.736 177.584 -0.158 0.000 1.181 170 A CA 1.480 53.438 52.037 -0.131 0.000 0.623 170 A CB -0.612 18.269 19.000 -0.198 0.000 0.818 170 A HN 0.361 nan 8.150 nan 0.000 0.443 171 L N -0.780 120.310 121.223 -0.223 0.000 2.265 171 L HA -0.157 4.647 4.340 0.773 0.000 0.215 171 L C 2.568 179.455 176.870 0.028 0.000 1.117 171 L CA 1.632 56.293 54.840 -0.298 0.000 0.782 171 L CB -0.432 41.401 42.059 -0.377 0.000 0.914 171 L HN 0.628 nan 8.230 nan 0.000 0.441 172 E N 0.220 120.405 120.200 -0.026 0.000 2.170 172 E HA -0.127 4.687 4.350 0.773 0.000 0.191 172 E C 1.431 177.971 176.600 -0.100 0.000 0.981 172 E CA 0.573 56.961 56.400 -0.020 0.000 0.830 172 E CB 0.434 30.116 29.700 -0.030 0.000 0.775 172 E HN 0.188 nan 8.360 nan 0.000 0.470 173 K N -0.151 120.146 120.400 -0.171 0.000 2.358 173 K HA 0.235 5.019 4.320 0.773 0.000 0.200 173 K C 1.364 177.727 176.600 -0.395 0.000 1.030 173 K CA 0.479 56.543 56.287 -0.371 0.000 1.097 173 K CB 0.968 33.120 32.500 -0.579 0.000 0.862 173 K HN 0.094 nan 8.250 nan 0.000 0.534 174 A N 1.682 124.401 122.820 -0.169 0.000 1.883 174 A HA -0.248 4.536 4.320 0.773 0.000 0.217 174 A C 2.209 179.661 177.584 -0.220 0.000 1.186 174 A CA 2.063 54.094 52.037 -0.009 0.000 0.624 174 A CB -0.358 18.901 19.000 0.431 0.000 0.822 174 A HN 0.467 nan 8.150 nan 0.000 0.444 175 E N -0.361 119.358 120.200 -0.802 0.000 2.058 175 E HA -0.267 4.546 4.350 0.773 0.000 0.194 175 E C 2.039 178.246 176.600 -0.655 0.000 0.997 175 E CA 1.500 56.975 56.400 -1.541 0.000 0.801 175 E CB -0.230 28.445 29.700 -1.708 0.000 0.746 175 E HN 0.742 nan 8.360 nan 0.000 0.450 176 E N -0.338 119.592 120.200 -0.449 0.000 2.110 176 E HA -0.207 4.607 4.350 0.773 0.000 0.193 176 E C 1.913 178.437 176.600 -0.126 0.000 0.988 176 E CA 0.979 57.228 56.400 -0.251 0.000 0.804 176 E CB -0.143 29.419 29.700 -0.230 0.000 0.745 176 E HN 0.380 nan 8.360 nan 0.000 0.458 177 A N 0.634 123.366 122.820 -0.147 0.000 1.898 177 A HA -0.049 4.735 4.320 0.773 0.000 0.216 177 A C 2.396 180.009 177.584 0.047 0.000 1.181 177 A CA 1.550 53.607 52.037 0.032 0.000 0.620 177 A CB -1.060 17.968 19.000 0.048 0.000 0.819 177 A HN 0.436 nan 8.150 nan 0.000 0.442 178 G N 0.073 108.932 108.800 0.099 0.000 2.418 178 G HA2 -0.268 4.156 3.960 0.773 0.000 0.217 178 G HA3 -0.268 4.156 3.960 0.773 0.000 0.217 178 G C 1.403 176.390 174.900 0.144 0.000 1.158 178 G CA 1.049 46.274 45.100 0.209 0.000 0.771 178 G HN 0.515 nan 8.290 nan 0.000 0.545 179 N N 0.430 119.195 118.700 0.108 0.000 2.223 179 N HA -0.010 5.194 4.740 0.773 0.000 0.185 179 N C 2.258 177.764 175.510 -0.007 0.000 1.016 179 N CA 0.521 53.611 53.050 0.067 0.000 0.863 179 N CB -0.268 38.234 38.487 0.025 0.000 0.983 179 N HN 0.291 nan 8.380 nan 0.000 0.429 180 L N 0.392 121.595 121.223 -0.032 0.000 2.083 180 L HA -0.059 4.745 4.340 0.773 0.000 0.209 180 L C 2.312 179.058 176.870 -0.207 0.000 1.083 180 L CA 0.899 55.692 54.840 -0.079 0.000 0.752 180 L CB -0.229 41.806 42.059 -0.040 0.000 0.899 180 L HN 0.155 nan 8.230 nan 0.000 0.433 181 M N -0.924 118.526 119.600 -0.250 0.000 2.175 181 M HA -0.197 4.747 4.480 0.773 0.000 0.264 181 M C 2.208 178.271 176.300 -0.395 0.000 1.063 181 M CA 1.537 56.490 55.300 -0.578 0.000 1.119 181 M CB -0.214 32.195 32.600 -0.318 0.000 1.377 181 M HN 0.239 nan 8.290 nan 0.000 0.415 182 L N -0.173 120.975 121.223 -0.125 0.000 2.191 182 L HA -0.211 4.593 4.340 0.773 0.000 0.212 182 L C 1.913 178.755 176.870 -0.048 0.000 1.103 182 L CA 1.169 55.993 54.840 -0.027 0.000 0.769 182 L CB -0.393 41.693 42.059 0.045 0.000 0.908 182 L HN 0.405 nan 8.230 nan 0.000 0.438 183 Q N -0.584 119.159 119.800 -0.095 0.000 2.320 183 Q HA 0.124 4.928 4.340 0.773 0.000 0.201 183 Q C 1.351 177.299 176.000 -0.086 0.000 0.910 183 Q CA 0.495 56.260 55.803 -0.065 0.000 0.946 183 Q CB 0.596 29.304 28.738 -0.051 0.000 1.062 183 Q HN 0.543 nan 8.270 nan 0.000 0.503 184 G N 1.920 110.608 108.800 -0.186 0.000 2.162 184 G HA2 -0.310 4.114 3.960 0.773 0.000 0.260 184 G HA3 -0.310 4.114 3.960 0.773 0.000 0.260 184 G C 0.115 174.912 174.900 -0.170 0.000 0.976 184 G CA 0.066 45.095 45.100 -0.119 0.000 0.655 184 G HN 0.269 nan 8.290 nan 0.000 0.533 185 K N 0.438 120.669 120.400 -0.282 0.000 2.518 185 K HA 0.471 5.255 4.320 0.773 0.000 0.244 185 K C 0.943 177.425 176.600 -0.197 0.000 1.232 185 K CA -0.662 55.535 56.287 -0.150 0.000 1.189 185 K CB -0.219 32.227 32.500 -0.089 0.000 1.737 185 K HN 0.279 nan 8.250 nan 0.000 0.333 186 F N 0.715 120.689 119.950 0.039 0.000 2.146 186 F HA -0.184 4.806 4.527 0.773 0.000 0.298 186 F C 1.807 177.642 175.800 0.059 0.000 1.096 186 F CA 1.070 59.095 58.000 0.042 0.000 1.275 186 F CB 0.045 39.056 39.000 0.019 0.000 1.008 186 F HN 0.337 nan 8.300 nan 0.000 0.480 187 D N 0.264 120.788 120.400 0.207 0.000 2.149 187 D HA -0.158 4.946 4.640 0.773 0.000 0.198 187 D C 1.745 178.116 176.300 0.118 0.000 0.990 187 D CA 1.361 55.455 54.000 0.156 0.000 0.839 187 D CB -0.448 40.410 40.800 0.098 0.000 0.948 187 D HN 0.231 nan 8.370 nan 0.000 0.460 188 D N 0.434 120.869 120.400 0.058 0.000 2.084 188 D HA -0.068 5.036 4.640 0.773 0.000 0.196 188 D C 2.084 178.378 176.300 -0.009 0.000 0.985 188 D CA 1.390 55.391 54.000 0.003 0.000 0.826 188 D CB -0.446 40.344 40.800 -0.017 0.000 0.978 188 D HN 0.109 nan 8.370 nan 0.000 0.456 189 A N 0.160 123.001 122.820 0.036 0.000 1.892 189 A HA -0.263 4.521 4.320 0.773 0.000 0.218 189 A C 2.252 179.889 177.584 0.087 0.000 1.188 189 A CA 1.697 53.786 52.037 0.088 0.000 0.631 189 A CB -1.150 17.905 19.000 0.092 0.000 0.822 189 A HN 0.381 nan 8.150 nan 0.000 0.447 190 Y N 0.439 120.741 120.300 0.003 0.000 2.163 190 Y HA -0.192 4.822 4.550 0.773 0.000 0.288 190 Y C 2.524 178.380 175.900 -0.074 0.000 1.136 190 Y CA 2.199 60.283 58.100 -0.027 0.000 1.147 190 Y CB -0.533 37.911 38.460 -0.026 0.000 0.987 190 Y HN 0.456 nan 8.280 nan 0.000 0.509 191 Q N -0.214 119.467 119.800 -0.197 0.000 2.124 191 Q HA -0.151 4.653 4.340 0.773 0.000 0.202 191 Q C 2.271 178.085 176.000 -0.310 0.000 0.977 191 Q CA 1.862 57.499 55.803 -0.277 0.000 0.850 191 Q CB -0.137 28.541 28.738 -0.101 0.000 0.901 191 Q HN 0.503 nan 8.270 nan 0.000 0.429 192 L N -0.735 120.278 121.223 -0.350 0.000 2.127 192 L HA -0.084 4.720 4.340 0.773 0.000 0.203 192 L C 1.515 177.966 176.870 -0.699 0.000 1.080 192 L CA 0.772 55.265 54.840 -0.579 0.000 0.768 192 L CB -0.017 41.529 42.059 -0.855 0.000 0.924 192 L HN 0.343 nan 8.230 nan 0.000 0.444 193 H N -1.226 117.782 119.070 -0.104 0.000 3.058 193 H HA 0.198 5.218 4.556 0.773 0.000 0.266 193 H C 0.128 175.393 175.328 -0.104 0.000 1.135 193 H CA -0.092 55.908 56.048 -0.080 0.000 1.174 193 H CB 0.787 30.519 29.762 -0.050 0.000 1.581 193 H HN 0.118 nan 8.280 nan 0.000 0.553 194 Q N 0.028 119.725 119.800 -0.172 0.000 2.494 194 Q HA -0.169 4.635 4.340 0.773 0.000 0.266 194 Q C -0.331 175.672 176.000 0.005 0.000 1.053 194 Q CA 0.726 56.370 55.803 -0.266 0.000 1.029 194 Q CB -1.987 26.631 28.738 -0.199 0.000 1.423 194 Q HN 0.461 nan 8.270 nan 0.000 0.516 195 M N 0.031 119.690 119.600 0.098 0.000 2.055 195 M HA 0.554 5.498 4.480 0.773 0.000 0.347 195 M C 0.894 177.315 176.300 0.202 0.000 1.123 195 M CA 0.418 55.789 55.300 0.119 0.000 1.035 195 M CB 1.137 33.799 32.600 0.103 0.000 1.484 195 M HN 0.422 nan 8.290 nan 0.000 0.428 196 G N 1.326 110.217 108.800 0.152 0.000 2.236 196 G HA2 0.331 4.755 3.960 0.773 0.000 0.231 196 G HA3 0.331 4.755 3.960 0.773 0.000 0.231 196 G C -0.060 174.758 174.900 -0.138 0.000 1.334 196 G CA -0.117 45.021 45.100 0.063 0.000 1.137 196 G HN 1.090 nan 8.290 nan 0.000 0.482 197 G N -0.349 108.167 108.800 -0.473 0.000 2.779 197 G HA2 0.399 4.823 3.960 0.773 0.000 0.284 197 G HA3 0.399 4.823 3.960 0.773 0.000 0.284 197 G C 0.836 175.518 174.900 -0.363 0.000 1.326 197 G CA 2.466 47.126 45.100 -0.734 0.000 0.983 197 G HN 2.954 nan 8.290 nan 0.000 0.555 198 A N -2.341 120.310 122.820 -0.282 0.000 2.564 198 A HA 0.701 5.485 4.320 0.773 0.000 0.291 198 A C -1.326 176.152 177.584 -0.176 0.000 1.102 198 A CA -0.212 51.730 52.037 -0.157 0.000 0.660 198 A CB 0.401 19.402 19.000 0.003 0.000 1.283 198 A HN 1.464 nan 8.150 nan 0.000 0.430 199 Y N -0.349 119.984 120.300 0.054 0.000 2.301 199 Y HA 0.473 5.487 4.550 0.774 0.000 0.325 199 Y C -0.224 175.791 175.900 0.193 0.000 1.203 199 Y CA 0.555 58.704 58.100 0.082 0.000 1.255 199 Y CB 1.132 39.612 38.460 0.033 0.000 1.232 199 Y HN 0.611 nan 8.280 nan 0.000 0.501 200 Y N 2.750 123.201 120.300 0.252 0.000 2.385 200 Y HA 0.490 5.504 4.550 0.773 0.000 0.341 200 Y C -0.777 175.246 175.900 0.205 0.000 0.965 200 Y CA -1.120 57.166 58.100 0.310 0.000 1.180 200 Y CB 0.437 39.128 38.460 0.385 0.000 1.139 200 Y HN 0.328 nan 8.280 nan 0.000 0.502 201 V N 8.278 128.035 119.914 -0.262 0.000 2.439 201 V HA 0.224 4.808 4.120 0.773 0.000 0.271 201 V C -0.125 175.597 176.094 -0.620 0.000 1.040 201 V CA -0.249 61.804 62.300 -0.411 0.000 1.002 201 V CB 0.429 31.976 31.823 -0.460 0.000 1.000 201 V HN 0.636 nan 8.190 nan 0.000 0.477 202 V N 4.487 124.145 119.914 -0.428 0.000 2.555 202 V HA 0.626 5.210 4.120 0.773 0.000 0.302 202 V C -1.083 174.764 176.094 -0.411 0.000 1.038 202 V CA -0.789 61.330 62.300 -0.301 0.000 0.887 202 V CB 1.536 33.371 31.823 0.020 0.000 0.991 202 V HN 0.606 nan 8.190 nan 0.000 0.434 203 Y N 4.592 124.860 120.300 -0.053 0.000 2.350 203 Y HA 0.671 5.684 4.550 0.773 0.000 0.340 203 Y C 0.856 176.736 175.900 -0.034 0.000 1.006 203 Y CA -0.273 57.795 58.100 -0.052 0.000 1.166 203 Y CB 1.176 39.599 38.460 -0.062 0.000 1.168 203 Y HN 0.629 nan 8.280 nan 0.000 0.502 204 R N 1.624 122.178 120.500 0.089 0.000 2.720 204 R HA 0.820 5.624 4.340 0.773 0.000 0.272 204 R C -0.643 175.643 176.300 -0.023 0.000 0.991 204 R CA -1.184 54.922 56.100 0.010 0.000 1.010 204 R CB 1.467 31.762 30.300 -0.008 0.000 1.141 204 R HN 0.722 nan 8.270 nan 0.000 0.494 205 A N 1.528 124.281 122.820 -0.111 0.000 2.331 205 A HA 0.143 4.927 4.320 0.773 0.000 0.283 205 A C -0.505 177.008 177.584 -0.119 0.000 1.142 205 A CA -0.261 51.712 52.037 -0.105 0.000 0.812 205 A CB 0.817 19.734 19.000 -0.138 0.000 1.074 205 A HN 0.499 nan 8.150 nan 0.000 0.497 206 Q N 2.155 121.902 119.800 -0.089 0.000 2.506 206 Q HA 0.180 4.984 4.340 0.773 0.000 0.242 206 Q C 0.996 176.919 176.000 -0.128 0.000 1.060 206 Q CA 0.256 55.999 55.803 -0.101 0.000 0.826 206 Q CB 1.046 29.735 28.738 -0.081 0.000 1.169 206 Q HN 1.019 nan 8.270 nan 0.000 0.521 207 S N 1.264 116.890 115.700 -0.123 0.000 2.440 207 S HA -0.087 4.847 4.470 0.773 0.000 0.240 207 S C 0.861 175.315 174.600 -0.244 0.000 1.014 207 S CA 1.277 59.406 58.200 -0.118 0.000 0.980 207 S CB -0.253 62.920 63.200 -0.044 0.000 0.775 207 S HN 0.592 nan 8.310 nan 0.000 0.499 208 T N -1.218 113.188 114.554 -0.248 0.000 2.861 208 T HA 0.712 5.526 4.350 0.773 0.000 0.287 208 T C -1.474 173.063 174.700 -0.272 0.000 1.003 208 T CA -0.819 61.090 62.100 -0.318 0.000 0.977 208 T CB 2.171 70.991 68.868 -0.081 0.000 0.996 208 T HN 0.093 nan 8.240 nan 0.000 0.448 209 D N 0.514 120.754 120.400 -0.268 0.000 2.602 209 D HA 0.584 5.688 4.640 0.773 0.000 0.236 209 D C -0.426 175.918 176.300 0.073 0.000 1.209 209 D CA -0.461 53.499 54.000 -0.066 0.000 0.831 209 D CB 2.169 42.944 40.800 -0.042 0.000 1.478 209 D HN 0.937 nan 8.370 nan 0.000 0.438 210 A N 1.604 124.451 122.820 0.046 0.000 2.531 210 A HA 0.469 5.253 4.320 0.773 0.000 0.236 210 A C -0.050 177.570 177.584 0.060 0.000 1.062 210 A CA 0.495 52.570 52.037 0.063 0.000 0.760 210 A CB -0.125 18.894 19.000 0.031 0.000 0.995 210 A HN 0.477 nan 8.150 nan 0.000 0.501 211 I N 1.402 122.044 120.570 0.120 0.000 2.692 211 I HA 0.393 5.027 4.170 0.773 0.000 0.293 211 I C 0.063 176.347 176.117 0.279 0.000 1.200 211 I CA -0.377 60.985 61.300 0.103 0.000 1.036 211 I CB 2.875 40.940 38.000 0.108 0.000 1.258 211 I HN 0.825 nan 8.210 nan 0.000 0.421 212 T N 2.820 117.501 114.554 0.212 0.000 2.930 212 T HA 0.721 5.535 4.350 0.773 0.000 0.290 212 T C -0.982 173.789 174.700 0.119 0.000 1.052 212 T CA -0.807 61.450 62.100 0.262 0.000 1.017 212 T CB 2.263 71.213 68.868 0.137 0.000 1.137 212 T HN 0.328 nan 8.240 nan 0.000 0.511 213 L N 1.919 123.151 121.223 0.016 0.000 2.294 213 L HA 0.459 5.263 4.340 0.773 0.000 0.283 213 L C -0.427 176.333 176.870 -0.184 0.000 1.015 213 L CA -0.387 54.224 54.840 -0.382 0.000 0.831 213 L CB 0.971 42.652 42.059 -0.629 0.000 1.217 213 L HN 0.786 nan 8.230 nan 0.000 0.420 214 D N 7.587 127.876 120.400 -0.186 0.000 2.349 214 D HA 0.095 5.199 4.640 0.773 0.000 0.266 214 D C -1.598 174.636 176.300 -0.109 0.000 1.293 214 D CA -1.394 52.544 54.000 -0.102 0.000 0.926 214 D CB 1.550 42.303 40.800 -0.077 0.000 1.090 214 D HN 0.452 nan 8.370 nan 0.000 0.502 215 P HA -0.212 nan 4.420 nan 0.000 0.216 215 P C 1.064 178.331 177.300 -0.055 0.000 1.150 215 P CA 1.025 64.090 63.100 -0.058 0.000 0.843 215 P CB 0.487 32.171 31.700 -0.028 0.000 0.787 216 K N 0.083 120.456 120.400 -0.045 0.000 1.973 216 K HA -0.097 4.687 4.320 0.773 0.000 0.212 216 K C 2.318 178.891 176.600 -0.045 0.000 1.047 216 K CA 2.364 58.628 56.287 -0.037 0.000 0.937 216 K CB -1.927 30.556 32.500 -0.028 0.000 0.721 216 K HN 0.341 nan 8.250 nan 0.000 0.440 217 T N -2.527 111.995 114.554 -0.053 0.000 3.043 217 T HA 0.107 4.921 4.350 0.773 0.000 0.263 217 T C 1.485 176.136 174.700 -0.082 0.000 1.094 217 T CA 1.153 63.220 62.100 -0.055 0.000 1.127 217 T CB -0.147 68.694 68.868 -0.044 0.000 0.905 217 T HN 0.442 nan 8.240 nan 0.000 0.490 218 G N 1.446 110.170 108.800 -0.126 0.000 2.148 218 G HA2 -0.216 4.208 3.960 0.773 0.000 0.254 218 G HA3 -0.216 4.208 3.960 0.773 0.000 0.254 218 G C 0.014 174.763 174.900 -0.253 0.000 0.981 218 G CA 0.232 45.222 45.100 -0.184 0.000 0.670 218 G HN 0.625 nan 8.290 nan 0.000 0.528 219 K N -0.468 119.810 120.400 -0.203 0.000 2.098 219 K HA 0.669 5.453 4.320 0.773 0.000 0.258 219 K C -0.086 176.378 176.600 -0.227 0.000 0.973 219 K CA -0.762 55.440 56.287 -0.142 0.000 0.898 219 K CB 0.928 33.414 32.500 -0.024 0.000 1.057 219 K HN 0.053 nan 8.250 nan 0.000 0.447 220 F N 0.319 120.260 119.950 -0.015 0.000 2.379 220 F HA 0.276 5.267 4.527 0.773 0.000 0.332 220 F C 0.408 176.296 175.800 0.147 0.000 1.096 220 F CA -0.610 57.396 58.000 0.009 0.000 1.105 220 F CB 1.217 40.232 39.000 0.026 0.000 1.189 220 F HN -0.040 nan 8.300 nan 0.000 0.515 221 V N 2.142 122.183 119.914 0.211 0.000 2.531 221 V HA 0.356 4.940 4.120 0.773 0.000 0.301 221 V C -0.553 175.401 176.094 -0.234 0.000 1.034 221 V CA -0.976 61.343 62.300 0.031 0.000 0.865 221 V CB 1.744 33.571 31.823 0.008 0.000 0.995 221 V HN 0.818 nan 8.190 nan 0.000 0.424 222 S N 3.727 119.041 115.700 -0.642 0.000 2.586 222 S HA 0.504 5.438 4.470 0.773 0.000 0.274 222 S C -0.265 174.149 174.600 -0.310 0.000 1.281 222 S CA -0.727 57.024 58.200 -0.749 0.000 1.035 222 S CB 1.098 63.497 63.200 -1.334 0.000 0.962 222 S HN 0.725 nan 8.310 nan 0.000 0.512 223 K N 1.282 121.572 120.400 -0.183 0.000 2.412 223 K HA 0.042 4.826 4.320 0.773 0.000 0.281 223 K C -0.858 175.691 176.600 -0.084 0.000 1.027 223 K CA -0.197 56.035 56.287 -0.092 0.000 0.989 223 K CB 0.088 32.561 32.500 -0.046 0.000 0.935 223 K HN 0.573 nan 8.250 nan 0.000 0.475 224 D N 3.465 123.829 120.400 -0.061 0.000 2.389 224 D HA 0.118 5.222 4.640 0.773 0.000 0.247 224 D C -0.278 175.994 176.300 -0.048 0.000 1.128 224 D CA 0.225 54.196 54.000 -0.048 0.000 0.884 224 D CB 0.714 41.496 40.800 -0.030 0.000 1.194 224 D HN 0.277 nan 8.370 nan 0.000 0.441 225 R N 2.542 123.008 120.500 -0.058 0.000 2.360 225 R HA 0.316 5.120 4.340 0.773 0.000 0.318 225 R C -0.174 176.056 176.300 -0.117 0.000 0.950 225 R CA -0.791 55.267 56.100 -0.069 0.000 0.837 225 R CB 1.137 31.402 30.300 -0.058 0.000 1.165 225 R HN 0.373 nan 8.270 nan 0.000 0.458 226 M N 3.324 122.848 119.600 -0.126 0.000 2.217 226 M HA 0.225 5.169 4.480 0.773 0.000 0.354 226 M C 0.432 176.566 176.300 -0.277 0.000 1.225 226 M CA -0.489 54.691 55.300 -0.199 0.000 1.137 226 M CB 0.660 33.170 32.600 -0.150 0.000 1.576 226 M HN 0.321 nan 8.290 nan 0.000 0.461 227 V N 0.245 119.875 119.914 -0.473 0.000 2.823 227 V HA 1.001 5.585 4.120 0.773 0.000 0.312 227 V C -0.375 175.400 176.094 -0.531 0.000 1.072 227 V CA -1.247 60.776 62.300 -0.461 0.000 0.937 227 V CB 1.522 33.059 31.823 -0.477 0.000 1.013 227 V HN 0.931 nan 8.190 nan 0.000 0.430 228 A N 2.545 125.200 122.820 -0.275 0.000 2.306 228 A HA 0.786 5.570 4.320 0.773 0.000 0.314 228 A C -0.167 177.494 177.584 0.129 0.000 1.164 228 A CA -0.331 51.590 52.037 -0.194 0.000 0.822 228 A CB 0.543 19.476 19.000 -0.112 0.000 1.130 228 A HN 1.160 nan 8.150 nan 0.000 0.496 229 D N 0.678 121.214 120.400 0.226 0.000 2.478 229 D HA 0.177 5.281 4.640 0.773 0.000 0.269 229 D C 0.798 177.049 176.300 -0.081 0.000 1.232 229 D CA -0.643 53.489 54.000 0.219 0.000 1.059 229 D CB 0.008 40.950 40.800 0.236 0.000 1.104 229 D HN 0.357 nan 8.370 nan 0.000 0.566 230 F N 0.209 119.732 119.950 -0.713 0.000 2.095 230 F HA -0.193 4.798 4.527 0.774 0.000 0.298 230 F C 2.065 177.636 175.800 -0.382 0.000 1.104 230 F CA 1.613 59.024 58.000 -0.981 0.000 1.232 230 F CB 0.042 38.231 39.000 -1.351 0.000 0.987 230 F HN 0.176 nan 8.300 nan 0.000 0.475 231 E N -0.153 119.853 120.200 -0.323 0.000 2.038 231 E HA -0.294 4.520 4.350 0.773 0.000 0.195 231 E C 2.092 178.546 176.600 -0.243 0.000 1.000 231 E CA 1.797 58.011 56.400 -0.310 0.000 0.803 231 E CB -1.107 28.547 29.700 -0.076 0.000 0.750 231 E HN 0.643 nan 8.360 nan 0.000 0.448 232 Y N 1.040 121.224 120.300 -0.193 0.000 2.128 232 Y HA -0.296 4.717 4.550 0.773 0.000 0.284 232 Y C 2.310 178.116 175.900 -0.157 0.000 1.154 232 Y CA 2.108 60.136 58.100 -0.120 0.000 1.149 232 Y CB -0.325 38.117 38.460 -0.030 0.000 0.976 232 Y HN 0.062 nan 8.280 nan 0.000 0.505 233 A N -0.428 122.425 122.820 0.056 0.000 1.908 233 A HA -0.207 4.577 4.320 0.773 0.000 0.218 233 A C 2.176 179.658 177.584 -0.171 0.000 1.181 233 A CA 2.462 54.504 52.037 0.008 0.000 0.627 233 A CB -1.536 17.533 19.000 0.115 0.000 0.818 233 A HN 0.552 nan 8.150 nan 0.000 0.445 234 V N -2.464 117.201 119.914 -0.415 0.000 3.306 234 V HA 0.013 4.597 4.120 0.773 0.000 0.264 234 V C 1.683 177.606 176.094 -0.285 0.000 1.149 234 V CA 1.851 63.917 62.300 -0.391 0.000 1.143 234 V CB -1.141 30.296 31.823 -0.643 0.000 0.767 234 V HN 0.666 nan 8.190 nan 0.000 0.476 235 T N -3.452 110.930 114.554 -0.285 0.000 3.134 235 T HA 0.451 5.265 4.350 0.773 0.000 0.260 235 T C 1.544 176.097 174.700 -0.246 0.000 1.027 235 T CA 0.529 62.487 62.100 -0.236 0.000 0.913 235 T CB 0.099 68.827 68.868 -0.233 0.000 1.046 235 T HN 1.459 nan 8.240 nan 0.000 0.553 236 G N 0.849 109.504 108.800 -0.243 0.000 2.203 236 G HA2 0.064 4.488 3.960 0.773 0.000 0.263 236 G HA3 0.064 4.488 3.960 0.773 0.000 0.263 236 G C 1.111 175.766 174.900 -0.408 0.000 1.012 236 G CA 0.474 45.436 45.100 -0.230 0.000 0.749 236 G HN 1.840 nan 8.290 nan 0.000 0.512 237 G N -1.375 106.954 108.800 -0.786 0.000 2.194 237 G HA2 -0.254 4.170 3.960 0.773 0.000 0.236 237 G HA3 -0.254 4.170 3.960 0.773 0.000 0.236 237 G C 0.794 175.284 174.900 -0.683 0.000 0.987 237 G CA 1.081 45.331 45.100 -1.417 0.000 0.635 237 G HN 0.739 nan 8.290 nan 0.000 0.520 238 E N 0.032 119.996 120.200 -0.392 0.000 2.150 238 E HA 0.032 4.846 4.350 0.773 0.000 0.193 238 E C 1.425 177.926 176.600 -0.166 0.000 0.985 238 E CA 1.068 57.339 56.400 -0.215 0.000 0.814 238 E CB 0.064 29.671 29.700 -0.155 0.000 0.752 238 E HN 0.709 nan 8.360 nan 0.000 0.466 239 Q N -1.737 117.949 119.800 -0.191 0.000 2.683 239 Q HA 0.508 5.312 4.340 0.773 0.000 0.302 239 Q C -0.075 175.902 176.000 -0.038 0.000 1.042 239 Q CA -0.454 55.293 55.803 -0.094 0.000 0.773 239 Q CB 2.276 30.961 28.738 -0.088 0.000 1.508 239 Q HN 0.181 nan 8.270 nan 0.000 0.459 240 G N 0.498 109.317 108.800 0.031 0.000 2.693 240 G HA2 -0.183 4.241 3.960 0.773 0.000 0.226 240 G HA3 -0.183 4.241 3.960 0.773 0.000 0.226 240 G C -0.869 174.171 174.900 0.233 0.000 1.354 240 G CA -0.306 44.862 45.100 0.113 0.000 0.873 240 G HN 0.537 nan 8.290 nan 0.000 0.562 241 S N -0.975 114.875 115.700 0.251 0.000 2.568 241 S HA 0.699 5.633 4.470 0.773 0.000 0.293 241 S C -0.862 173.806 174.600 0.113 0.000 1.089 241 S CA -0.544 57.789 58.200 0.222 0.000 0.945 241 S CB 2.001 65.272 63.200 0.118 0.000 1.077 241 S HN 1.383 nan 8.310 nan 0.000 0.485 242 L N 3.941 125.146 121.223 -0.030 0.000 2.316 242 L HA 0.771 5.575 4.340 0.773 0.000 0.280 242 L C -1.407 175.493 176.870 0.050 0.000 1.006 242 L CA -0.417 54.243 54.840 -0.300 0.000 0.836 242 L CB -0.025 41.747 42.059 -0.478 0.000 1.221 242 L HN 0.660 nan 8.230 nan 0.000 0.418 243 F N 3.128 122.994 119.950 -0.140 0.000 2.664 243 F HA 0.939 5.930 4.527 0.774 0.000 0.317 243 F C -0.331 175.434 175.800 -0.057 0.000 1.108 243 F CA -1.322 56.634 58.000 -0.073 0.000 0.957 243 F CB 0.754 39.726 39.000 -0.047 0.000 1.365 243 F HN 0.520 nan 8.300 nan 0.000 0.475 244 A N 1.469 124.311 122.820 0.035 0.000 2.409 244 A HA 0.682 5.466 4.320 0.773 0.000 0.267 244 A C 0.288 177.846 177.584 -0.042 0.000 1.127 244 A CA -0.019 51.990 52.037 -0.047 0.000 0.795 244 A CB -0.663 18.351 19.000 0.023 0.000 1.061 244 A HN 1.440 nan 8.150 nan 0.000 0.502 245 A N 2.517 125.249 122.820 -0.146 0.000 2.406 245 A HA 0.494 5.278 4.320 0.773 0.000 0.243 245 A C 0.844 178.443 177.584 0.025 0.000 1.082 245 A CA 0.409 52.399 52.037 -0.078 0.000 0.786 245 A CB 0.108 19.044 19.000 -0.106 0.000 1.029 245 A HN 1.407 nan 8.150 nan 0.000 0.495 246 S N -0.083 115.657 115.700 0.066 0.000 2.452 246 S HA 0.301 5.235 4.470 0.773 0.000 0.284 246 S C 0.541 175.200 174.600 0.098 0.000 1.171 246 S CA -0.560 57.690 58.200 0.083 0.000 1.064 246 S CB 0.211 63.465 63.200 0.089 0.000 0.967 246 S HN 0.588 nan 8.310 nan 0.000 0.484 247 K N 2.629 123.100 120.400 0.118 0.000 2.387 247 K HA 0.094 4.877 4.320 0.773 0.000 0.198 247 K C -0.131 176.637 176.600 0.280 0.000 1.022 247 K CA -0.196 56.199 56.287 0.179 0.000 1.128 247 K CB 0.159 32.731 32.500 0.121 0.000 0.853 247 K HN 0.591 nan 8.250 nan 0.000 0.523 248 D N 0.860 121.390 120.400 0.218 0.000 2.434 248 D HA -0.017 5.087 4.640 0.773 0.000 0.252 248 D C 0.468 176.826 176.300 0.097 0.000 1.185 248 D CA 0.051 54.155 54.000 0.174 0.000 0.886 248 D CB 1.199 42.065 40.800 0.110 0.000 1.148 248 D HN 0.201 nan 8.370 nan 0.000 0.483 249 A N 3.057 125.893 122.820 0.027 0.000 2.308 249 A HA 0.055 4.839 4.320 0.773 0.000 0.217 249 A C 2.136 179.681 177.584 -0.066 0.000 1.216 249 A CA 0.087 52.112 52.037 -0.019 0.000 0.864 249 A CB 0.021 18.994 19.000 -0.044 0.000 0.902 249 A HN 0.530 nan 8.150 nan 0.000 0.499 250 S N 1.100 116.764 115.700 -0.060 0.000 2.380 250 S HA -0.285 4.649 4.470 0.773 0.000 0.229 250 S C 2.142 176.702 174.600 -0.067 0.000 1.043 250 S CA 1.845 60.006 58.200 -0.066 0.000 1.038 250 S CB -0.446 62.726 63.200 -0.046 0.000 0.872 250 S HN 0.873 nan 8.310 nan 0.000 0.456 251 R N 1.593 122.061 120.500 -0.052 0.000 2.154 251 R HA -0.113 4.690 4.340 0.773 0.000 0.248 251 R C 1.927 178.161 176.300 -0.109 0.000 1.155 251 R CA 1.527 57.586 56.100 -0.068 0.000 0.979 251 R CB -0.994 29.284 30.300 -0.037 0.000 0.869 251 R HN 0.362 nan 8.270 nan 0.000 0.452 252 L N 0.737 121.896 121.223 -0.108 0.000 2.127 252 L HA -0.140 4.664 4.340 0.773 0.000 0.211 252 L C 2.668 179.484 176.870 -0.090 0.000 1.089 252 L CA 1.492 56.263 54.840 -0.115 0.000 0.757 252 L CB -0.525 41.369 42.059 -0.275 0.000 0.899 252 L HN 0.198 nan 8.230 nan 0.000 0.434 253 K N 1.037 121.380 120.400 -0.095 0.000 1.984 253 K HA -0.229 4.555 4.320 0.773 0.000 0.209 253 K C 2.008 178.560 176.600 -0.081 0.000 1.046 253 K CA 1.830 58.073 56.287 -0.073 0.000 0.934 253 K CB -0.280 32.177 32.500 -0.071 0.000 0.717 253 K HN 0.288 nan 8.250 nan 0.000 0.438 254 E N -0.074 120.068 120.200 -0.098 0.000 2.077 254 E HA -0.243 4.571 4.350 0.773 0.000 0.193 254 E C 2.029 178.534 176.600 -0.159 0.000 0.989 254 E CA 1.374 57.712 56.400 -0.104 0.000 0.800 254 E CB 0.005 29.650 29.700 -0.092 0.000 0.746 254 E HN 0.472 nan 8.360 nan 0.000 0.452 255 Q N -1.273 118.365 119.800 -0.270 0.000 2.096 255 Q HA -0.103 4.701 4.340 0.773 0.000 0.197 255 Q C 0.849 176.481 176.000 -0.614 0.000 0.964 255 Q CA 1.227 56.715 55.803 -0.525 0.000 0.838 255 Q CB 0.247 28.459 28.738 -0.876 0.000 0.906 255 Q HN 0.424 nan 8.270 nan 0.000 0.444 256 Y N -1.817 118.479 120.300 -0.007 0.000 2.527 256 Y HA 0.352 5.366 4.550 0.773 0.000 0.247 256 Y C 0.955 176.853 175.900 -0.003 0.000 1.138 256 Y CA 0.011 58.120 58.100 0.016 0.000 1.228 256 Y CB 1.031 39.519 38.460 0.046 0.000 1.252 256 Y HN 0.118 nan 8.280 nan 0.000 0.531 257 G N 1.520 110.354 108.800 0.058 0.000 2.221 257 G HA2 -0.300 4.124 3.960 0.773 0.000 0.265 257 G HA3 -0.300 4.124 3.960 0.773 0.000 0.265 257 G C -0.117 174.803 174.900 0.033 0.000 1.041 257 G CA 0.153 45.273 45.100 0.032 0.000 0.807 257 G HN 0.358 nan 8.290 nan 0.000 0.502 258 I N 0.361 120.947 120.570 0.027 0.000 2.359 258 I HA 0.269 4.903 4.170 0.773 0.000 0.294 258 I C 0.341 176.424 176.117 -0.057 0.000 0.987 258 I CA -0.768 60.527 61.300 -0.009 0.000 1.225 258 I CB 1.373 39.351 38.000 -0.037 0.000 1.366 258 I HN 0.180 nan 8.210 nan 0.000 0.466 259 D N 5.883 126.243 120.400 -0.067 0.000 2.383 259 D HA 0.232 5.336 4.640 0.773 0.000 0.252 259 D C -0.880 175.340 176.300 -0.133 0.000 1.166 259 D CA -0.018 53.926 54.000 -0.094 0.000 0.879 259 D CB 1.020 41.762 40.800 -0.096 0.000 1.164 259 D HN 0.117 nan 8.370 nan 0.000 0.462 260 V N 5.987 125.819 119.914 -0.137 0.000 2.334 260 V HA 0.372 4.956 4.120 0.773 0.000 0.281 260 V C -1.819 174.170 176.094 -0.175 0.000 1.016 260 V CA -1.463 60.737 62.300 -0.165 0.000 0.832 260 V CB 0.985 32.726 31.823 -0.136 0.000 0.999 260 V HN 0.655 nan 8.190 nan 0.000 0.439 261 P HA 0.182 nan 4.420 nan 0.000 0.272 261 P C -0.468 176.798 177.300 -0.057 0.000 1.230 261 P CA -0.357 62.620 63.100 -0.204 0.000 0.788 261 P CB 0.481 31.926 31.700 -0.425 0.000 0.949 262 D N 0.323 120.718 120.400 -0.009 0.000 2.443 262 D HA 0.287 5.391 4.640 0.773 0.000 0.239 262 D C 1.100 177.410 176.300 0.017 0.000 1.136 262 D CA 1.307 55.312 54.000 0.007 0.000 0.879 262 D CB -0.158 40.677 40.800 0.057 0.000 1.195 262 D HN 0.648 nan 8.370 nan 0.000 0.443 263 G N 2.020 110.723 108.800 -0.163 0.000 2.176 263 G HA2 -0.245 4.179 3.960 0.773 0.000 0.252 263 G HA3 -0.245 4.179 3.960 0.773 0.000 0.252 263 G C -0.164 174.249 174.900 -0.812 0.000 1.024 263 G CA 0.005 44.822 45.100 -0.471 0.000 0.755 263 G HN 0.353 nan 8.290 nan 0.000 0.507 264 F N -0.549 118.921 119.950 -0.801 0.000 2.507 264 F HA 0.809 5.801 4.527 0.774 0.000 0.325 264 F C 0.263 175.617 175.800 -0.743 0.000 1.116 264 F CA -1.225 56.434 58.000 -0.568 0.000 0.930 264 F CB 1.391 40.204 39.000 -0.312 0.000 1.146 264 F HN -0.008 nan 8.300 nan 0.000 0.447 265 F N 0.595 120.428 119.950 -0.195 0.000 2.639 265 F HA 0.593 5.585 4.527 0.774 0.000 0.339 265 F C -0.005 175.802 175.800 0.011 0.000 1.071 265 F CA -1.134 56.788 58.000 -0.130 0.000 0.994 265 F CB 0.766 39.622 39.000 -0.239 0.000 1.341 265 F HN 0.258 nan 8.300 nan 0.000 0.498 266 C N 0.952 120.444 119.300 0.319 0.000 2.595 266 C HA 0.272 5.196 4.460 0.773 0.000 0.384 266 C C 0.327 175.545 174.990 0.380 0.000 1.289 266 C CA -0.720 58.490 59.018 0.321 0.000 2.372 266 C CB -0.054 27.848 27.740 0.271 0.000 2.593 266 C HN 0.663 nan 8.230 nan 0.000 0.639 267 E N 0.801 121.207 120.200 0.343 0.000 2.373 267 E HA 0.194 5.008 4.350 0.773 0.000 0.263 267 E C 0.099 176.789 176.600 0.150 0.000 1.073 267 E CA -0.299 56.259 56.400 0.263 0.000 0.894 267 E CB 0.579 30.364 29.700 0.141 0.000 1.008 267 E HN 0.486 nan 8.360 nan 0.000 0.420 268 R N 2.711 123.256 120.500 0.076 0.000 2.442 268 R HA 0.098 4.902 4.340 0.773 0.000 0.291 268 R C -0.436 175.872 176.300 0.013 0.000 1.069 268 R CA -0.005 56.113 56.100 0.030 0.000 1.022 268 R CB 0.525 30.819 30.300 -0.009 0.000 0.976 268 R HN 0.424 nan 8.270 nan 0.000 0.443 269 R N 4.089 124.599 120.500 0.016 0.000 2.589 269 R HA 0.404 5.208 4.340 0.773 0.000 0.293 269 R C -0.494 175.837 176.300 0.052 0.000 0.963 269 R CA -0.873 55.247 56.100 0.032 0.000 0.905 269 R CB 2.052 32.371 30.300 0.032 0.000 1.144 269 R HN 0.681 nan 8.270 nan 0.000 0.459 270 R N 0.164 120.712 120.500 0.080 0.000 2.803 270 R HA 0.306 5.110 4.340 0.773 0.000 0.276 270 R C -0.199 176.179 176.300 0.131 0.000 0.978 270 R CA -0.803 55.345 56.100 0.081 0.000 0.939 270 R CB 1.916 32.226 30.300 0.016 0.000 1.179 270 R HN 0.623 nan 8.270 nan 0.000 0.472 271 T N -0.945 113.661 114.554 0.086 0.000 2.897 271 T HA 0.645 5.459 4.350 0.773 0.000 0.294 271 T C 0.009 174.634 174.700 -0.123 0.000 1.004 271 T CA -0.625 61.423 62.100 -0.087 0.000 1.106 271 T CB 1.473 70.292 68.868 -0.082 0.000 0.949 271 T HN 0.649 nan 8.240 nan 0.000 0.520 272 A N 3.705 126.407 122.820 -0.196 0.000 2.515 272 A HA 0.821 5.605 4.320 0.773 0.000 0.296 272 A C -0.567 176.937 177.584 -0.134 0.000 1.094 272 A CA -1.196 50.773 52.037 -0.114 0.000 0.718 272 A CB 1.669 20.642 19.000 -0.044 0.000 1.307 272 A HN 0.883 nan 8.150 nan 0.000 0.408 273 M N 1.462 121.014 119.600 -0.079 0.000 2.327 273 M HA 0.450 5.394 4.480 0.773 0.000 0.298 273 M C 0.059 176.439 176.300 0.134 0.000 1.065 273 M CA -0.408 54.884 55.300 -0.013 0.000 0.916 273 M CB 2.123 34.621 32.600 -0.169 0.000 1.630 273 M HN 0.883 nan 8.290 nan 0.000 0.442 274 G N 1.476 110.433 108.800 0.261 0.000 2.319 274 G HA2 0.596 5.020 3.960 0.773 0.000 0.308 274 G HA3 0.596 5.020 3.960 0.773 0.000 0.308 274 G C 0.038 175.132 174.900 0.323 0.000 1.117 274 G CA -0.421 44.838 45.100 0.265 0.000 0.903 274 G HN 0.859 nan 8.290 nan 0.000 0.436 275 G N 2.351 111.328 108.800 0.294 0.000 2.507 275 G HA2 0.584 5.008 3.960 0.773 0.000 0.271 275 G HA3 0.584 5.008 3.960 0.773 0.000 0.271 275 G C -2.302 172.587 174.900 -0.019 0.000 1.189 275 G CA -1.181 44.004 45.100 0.142 0.000 0.859 275 G HN 0.485 nan 8.290 nan 0.000 0.542 276 P HA 0.030 nan 4.420 nan 0.000 0.275 276 P C 0.418 177.724 177.300 0.010 0.000 1.276 276 P CA -0.397 62.638 63.100 -0.110 0.000 0.782 276 P CB 0.854 32.464 31.700 -0.150 0.000 0.851 277 F N 5.090 124.980 119.950 -0.100 0.000 2.154 277 F HA -0.260 4.731 4.527 0.773 0.000 0.301 277 F C 2.259 178.047 175.800 -0.020 0.000 1.087 277 F CA 2.041 60.013 58.000 -0.046 0.000 1.274 277 F CB -0.854 38.122 39.000 -0.040 0.000 1.009 277 F HN 0.385 nan 8.300 nan 0.000 0.485 278 A N -0.344 122.424 122.820 -0.087 0.000 1.972 278 A HA -0.162 4.622 4.320 0.773 0.000 0.219 278 A C 2.105 179.592 177.584 -0.162 0.000 1.169 278 A CA 1.732 53.673 52.037 -0.160 0.000 0.635 278 A CB -1.053 17.933 19.000 -0.023 0.000 0.810 278 A HN 0.464 nan 8.150 nan 0.000 0.446 279 L N -0.275 120.887 121.223 -0.102 0.000 2.131 279 L HA 0.020 4.824 4.340 0.773 0.000 0.206 279 L C 1.658 178.478 176.870 -0.083 0.000 1.087 279 L CA 1.981 56.778 54.840 -0.071 0.000 0.767 279 L CB -0.642 41.378 42.059 -0.065 0.000 0.917 279 L HN 0.264 nan 8.230 nan 0.000 0.441 280 N N 0.234 118.876 118.700 -0.097 0.000 2.244 280 N HA -0.060 5.144 4.740 0.773 0.000 0.183 280 N C 1.871 177.318 175.510 -0.103 0.000 1.016 280 N CA 1.300 54.329 53.050 -0.035 0.000 0.866 280 N CB -0.430 38.106 38.487 0.082 0.000 0.980 280 N HN 0.492 nan 8.380 nan 0.000 0.430 281 A N 1.769 124.354 122.820 -0.390 0.000 1.873 281 A HA -0.131 4.653 4.320 0.773 0.000 0.218 281 A C -0.341 177.128 177.584 -0.192 0.000 1.193 281 A CA 1.760 53.538 52.037 -0.432 0.000 0.629 281 A CB -1.667 16.910 19.000 -0.705 0.000 0.826 281 A HN 0.273 nan 8.150 nan 0.000 0.447 282 P HA -0.065 nan 4.420 nan 0.000 0.226 282 P C 1.347 178.955 177.300 0.513 0.000 1.153 282 P CA 0.880 63.992 63.100 0.019 0.000 0.777 282 P CB -0.105 31.721 31.700 0.211 0.000 0.794 283 I N -1.191 119.590 120.570 0.352 0.000 2.400 283 I HA -0.097 4.537 4.170 0.773 0.000 0.248 283 I C 2.616 178.999 176.117 0.443 0.000 1.109 283 I CA 1.056 62.667 61.300 0.518 0.000 1.425 283 I CB -0.509 37.680 38.000 0.314 0.000 1.094 283 I HN -0.178 nan 8.210 nan 0.000 0.425 284 M N 0.603 120.356 119.600 0.257 0.000 2.213 284 M HA -0.173 4.771 4.480 0.773 0.000 0.263 284 M C 2.441 178.860 176.300 0.199 0.000 1.062 284 M CA 1.857 57.282 55.300 0.208 0.000 1.105 284 M CB -0.456 32.240 32.600 0.160 0.000 1.385 284 M HN 0.284 nan 8.290 nan 0.000 0.417 285 A N -0.498 122.440 122.820 0.196 0.000 2.024 285 A HA -0.086 4.698 4.320 0.773 0.000 0.220 285 A C 2.162 179.891 177.584 0.243 0.000 1.164 285 A CA 1.610 53.764 52.037 0.196 0.000 0.643 285 A CB -0.660 18.426 19.000 0.144 0.000 0.806 285 A HN 0.342 nan 8.150 nan 0.000 0.451 286 V N -1.212 118.884 119.914 0.303 0.000 2.795 286 V HA 0.019 4.602 4.120 0.773 0.000 0.243 286 V C 2.886 179.042 176.094 0.104 0.000 1.069 286 V CA 1.126 63.528 62.300 0.170 0.000 1.089 286 V CB -0.707 31.195 31.823 0.131 0.000 0.756 286 V HN 0.552 nan 8.190 nan 0.000 0.471 287 A N -0.022 122.909 122.820 0.185 0.000 1.883 287 A HA -0.313 4.471 4.320 0.773 0.000 0.217 287 A C 2.151 179.740 177.584 0.007 0.000 1.186 287 A CA 2.386 54.481 52.037 0.097 0.000 0.624 287 A CB -0.552 18.555 19.000 0.179 0.000 0.822 287 A HN 0.495 nan 8.150 nan 0.000 0.444 288 Q N 0.088 119.916 119.800 0.048 0.000 2.084 288 Q HA -0.073 4.731 4.340 0.773 0.000 0.202 288 Q C -0.676 175.303 176.000 -0.035 0.000 0.978 288 Q CA 2.269 58.086 55.803 0.022 0.000 0.844 288 Q CB -1.324 27.448 28.738 0.058 0.000 0.898 288 Q HN 0.448 nan 8.270 nan 0.000 0.426 289 P HA -0.133 nan 4.420 nan 0.000 0.216 289 P C 1.213 178.424 177.300 -0.147 0.000 1.150 289 P CA 1.155 64.212 63.100 -0.072 0.000 0.837 289 P CB 0.001 31.669 31.700 -0.054 0.000 0.786 290 V N -0.203 119.578 119.914 -0.221 0.000 2.343 290 V HA -0.243 4.341 4.120 0.773 0.000 0.247 290 V C 2.438 178.314 176.094 -0.363 0.000 1.051 290 V CA 1.780 63.862 62.300 -0.364 0.000 1.036 290 V CB -0.921 30.539 31.823 -0.606 0.000 0.654 290 V HN 0.089 nan 8.190 nan 0.000 0.451 291 R N 0.267 120.568 120.500 -0.331 0.000 2.073 291 R HA -0.148 4.656 4.340 0.773 0.000 0.234 291 R C 2.230 178.283 176.300 -0.411 0.000 1.134 291 R CA 1.681 57.479 56.100 -0.503 0.000 0.952 291 R CB -0.508 29.669 30.300 -0.206 0.000 0.850 291 R HN 0.524 nan 8.270 nan 0.000 0.433 292 N N 0.930 119.530 118.700 -0.167 0.000 2.149 292 N HA -0.186 5.018 4.740 0.773 0.000 0.188 292 N C 1.569 177.006 175.510 -0.121 0.000 1.019 292 N CA 1.158 54.154 53.050 -0.089 0.000 0.857 292 N CB -0.134 38.314 38.487 -0.064 0.000 0.997 292 N HN 0.279 nan 8.380 nan 0.000 0.426 293 K N 1.282 121.588 120.400 -0.155 0.000 2.001 293 K HA -0.035 4.749 4.320 0.773 0.000 0.208 293 K C 2.136 178.671 176.600 -0.109 0.000 1.048 293 K CA 0.981 57.196 56.287 -0.120 0.000 0.932 293 K CB -0.118 32.328 32.500 -0.089 0.000 0.715 293 K HN 0.250 nan 8.250 nan 0.000 0.437 294 I N -1.639 118.825 120.570 -0.177 0.000 2.493 294 I HA -0.186 4.448 4.170 0.773 0.000 0.254 294 I C 1.231 177.353 176.117 0.009 0.000 1.160 294 I CA 1.107 62.367 61.300 -0.066 0.000 1.445 294 I CB -0.410 37.341 38.000 -0.415 0.000 1.086 294 I HN 0.055 nan 8.210 nan 0.000 0.433 295 Y N 1.968 122.238 120.300 -0.049 0.000 2.519 295 Y HA 0.003 5.016 4.550 0.771 0.000 0.287 295 Y C 2.872 178.679 175.900 -0.155 0.000 1.128 295 Y CA 0.301 58.332 58.100 -0.115 0.000 1.282 295 Y CB -0.683 37.598 38.460 -0.297 0.000 1.027 295 Y HN 0.458 nan 8.280 nan 0.000 0.551 296 S N -0.469 115.230 115.700 -0.001 0.000 2.432 296 S HA -0.033 4.901 4.470 0.773 0.000 0.203 296 S C 1.990 176.545 174.600 -0.074 0.000 0.987 296 S CA 0.427 58.599 58.200 -0.047 0.000 0.908 296 S CB -0.453 62.704 63.200 -0.072 0.000 0.883 296 S HN 0.226 nan 8.310 nan 0.000 0.577 297 K N 0.147 120.436 120.400 -0.185 0.000 2.097 297 K HA -0.052 4.732 4.320 0.773 0.000 0.206 297 K C 0.296 176.606 176.600 -0.483 0.000 1.049 297 K CA 1.208 57.257 56.287 -0.395 0.000 0.933 297 K CB -0.177 31.944 32.500 -0.633 0.000 0.717 297 K HN 0.533 nan 8.250 nan 0.000 0.442 298 Y N -0.318 120.046 120.300 0.108 0.000 2.751 298 Y HA 0.367 5.381 4.550 0.774 0.000 0.289 298 Y C 1.167 177.133 175.900 0.110 0.000 1.110 298 Y CA -0.417 57.758 58.100 0.123 0.000 1.251 298 Y CB 0.071 38.646 38.460 0.192 0.000 1.178 298 Y HN 0.078 nan 8.280 nan 0.000 0.540 299 A N -0.273 122.656 122.820 0.182 0.000 1.958 299 A HA -0.321 4.463 4.320 0.773 0.000 0.221 299 A C 1.959 179.600 177.584 0.094 0.000 1.178 299 A CA 2.008 54.150 52.037 0.176 0.000 0.642 299 A CB -1.000 18.088 19.000 0.147 0.000 0.816 299 A HN 0.638 nan 8.150 nan 0.000 0.453 300 Y N 1.437 121.735 120.300 -0.003 0.000 2.081 300 Y HA -0.293 4.720 4.550 0.771 0.000 0.280 300 Y C 2.930 178.784 175.900 -0.078 0.000 1.163 300 Y CA 2.904 60.982 58.100 -0.037 0.000 1.135 300 Y CB -0.493 37.937 38.460 -0.050 0.000 0.970 300 Y HN 0.452 nan 8.280 nan 0.000 0.498 301 T N -3.042 111.479 114.554 -0.055 0.000 3.054 301 T HA -0.005 4.809 4.350 0.773 0.000 0.259 301 T C 1.426 175.939 174.700 -0.312 0.000 1.092 301 T CA 0.906 62.819 62.100 -0.312 0.000 1.121 301 T CB -0.755 67.690 68.868 -0.705 0.000 0.912 301 T HN 0.334 nan 8.240 nan 0.000 0.489 302 F N -0.086 119.885 119.950 0.035 0.000 2.694 302 F HA 0.373 5.368 4.527 0.781 0.000 0.292 302 F C 1.347 177.048 175.800 -0.165 0.000 1.121 302 F CA -0.724 57.323 58.000 0.077 0.000 1.352 302 F CB 0.304 39.353 39.000 0.081 0.000 1.107 302 F HN 0.256 nan 8.300 nan 0.000 0.597 303 H N 1.820 120.695 119.070 -0.325 0.000 2.690 303 H HA 0.228 5.247 4.556 0.772 0.000 0.289 303 H C -0.850 174.066 175.328 -0.686 0.000 1.089 303 H CA -0.461 55.326 56.048 -0.434 0.000 1.299 303 H CB 0.142 29.810 29.762 -0.157 0.000 1.405 303 H HN 0.050 nan 8.280 nan 0.000 0.463 304 H N 3.896 122.837 119.070 -0.215 0.000 2.529 304 H HA 0.130 5.149 4.556 0.772 0.000 0.348 304 H C 0.525 175.682 175.328 -0.284 0.000 1.079 304 H CA -0.387 55.516 56.048 -0.241 0.000 1.198 304 H CB 2.213 31.919 29.762 -0.094 0.000 1.521 304 H HN 0.754 nan 8.280 nan 0.000 0.514 305 T N -0.582 113.864 114.554 -0.179 0.000 3.463 305 T HA 0.089 4.903 4.350 0.773 0.000 0.203 305 T C 0.934 175.663 174.700 0.050 0.000 0.955 305 T CA 0.497 62.570 62.100 -0.046 0.000 1.230 305 T CB -0.169 68.571 68.868 -0.213 0.000 1.392 305 T HN 0.543 nan 8.240 nan 0.000 0.361 306 T N -0.165 114.352 114.554 -0.062 0.000 2.897 306 T HA 0.492 5.306 4.350 0.773 0.000 0.278 306 T C 1.134 175.761 174.700 -0.121 0.000 0.981 306 T CA -0.907 61.156 62.100 -0.063 0.000 0.973 306 T CB 1.530 70.349 68.868 -0.083 0.000 1.092 306 T HN 0.385 nan 8.240 nan 0.000 0.543 307 R N -0.120 120.315 120.500 -0.109 0.000 2.081 307 R HA -0.029 4.775 4.340 0.773 0.000 0.235 307 R C 2.146 178.410 176.300 -0.060 0.000 1.131 307 R CA 0.922 56.955 56.100 -0.111 0.000 0.960 307 R CB -0.748 29.543 30.300 -0.017 0.000 0.856 307 R HN 0.418 nan 8.270 nan 0.000 0.436 308 L N 1.325 122.518 121.223 -0.049 0.000 2.093 308 L HA -0.109 4.695 4.340 0.773 0.000 0.208 308 L C 2.080 178.914 176.870 -0.060 0.000 1.085 308 L CA 1.596 56.416 54.840 -0.034 0.000 0.755 308 L CB -1.702 40.331 42.059 -0.043 0.000 0.904 308 L HN 0.251 nan 8.230 nan 0.000 0.435 309 N N 0.786 119.429 118.700 -0.096 0.000 2.104 309 N HA -0.221 4.983 4.740 0.773 0.000 0.190 309 N C 1.776 177.206 175.510 -0.132 0.000 1.024 309 N CA 1.586 54.566 53.050 -0.116 0.000 0.853 309 N CB 0.094 38.494 38.487 -0.145 0.000 1.008 309 N HN 0.320 nan 8.380 nan 0.000 0.424 310 K N -0.028 120.265 120.400 -0.178 0.000 2.062 310 K HA -0.090 4.694 4.320 0.773 0.000 0.205 310 K C 2.002 178.565 176.600 -0.062 0.000 1.051 310 K CA 1.100 57.237 56.287 -0.249 0.000 0.941 310 K CB -0.172 31.896 32.500 -0.720 0.000 0.719 310 K HN 0.307 nan 8.250 nan 0.000 0.440 311 E N 1.633 121.904 120.200 0.118 0.000 2.085 311 E HA -0.245 4.569 4.350 0.773 0.000 0.194 311 E C 1.655 178.227 176.600 -0.046 0.000 0.994 311 E CA 1.374 57.882 56.400 0.180 0.000 0.801 311 E CB 0.131 29.921 29.700 0.150 0.000 0.743 311 E HN 0.272 nan 8.360 nan 0.000 0.453 312 E N -0.058 120.101 120.200 -0.068 0.000 2.160 312 E HA -0.202 4.612 4.350 0.773 0.000 0.195 312 E C 1.948 178.470 176.600 -0.129 0.000 0.991 312 E CA 1.237 57.588 56.400 -0.081 0.000 0.810 312 E CB 0.120 29.787 29.700 -0.055 0.000 0.742 312 E HN 0.217 nan 8.360 nan 0.000 0.466 313 K N -0.034 120.227 120.400 -0.231 0.000 2.044 313 K HA -0.005 4.779 4.320 0.773 0.000 0.204 313 K C 2.108 178.236 176.600 -0.786 0.000 1.045 313 K CA 0.794 56.873 56.287 -0.347 0.000 0.951 313 K CB -0.025 32.171 32.500 -0.507 0.000 0.738 313 K HN -0.070 nan 8.250 nan 0.000 0.443 314 V N 2.162 121.503 119.914 -0.955 0.000 2.594 314 V HA -0.230 4.354 4.120 0.773 0.000 0.253 314 V C 2.158 177.874 176.094 -0.631 0.000 1.069 314 V CA 1.546 63.085 62.300 -1.268 0.000 1.082 314 V CB -0.428 30.971 31.823 -0.706 0.000 0.680 314 V HN 0.218 nan 8.190 nan 0.000 0.469 315 K N 0.936 121.116 120.400 -0.366 0.000 2.057 315 K HA -0.167 4.617 4.320 0.773 0.000 0.207 315 K C 1.928 178.492 176.600 -0.060 0.000 1.049 315 K CA 1.542 57.729 56.287 -0.167 0.000 0.931 315 K CB -0.281 32.153 32.500 -0.110 0.000 0.714 315 K HN 0.607 nan 8.250 nan 0.000 0.440 316 E N -0.804 119.369 120.200 -0.046 0.000 2.516 316 E HA -0.100 4.714 4.350 0.773 0.000 0.199 316 E C -0.242 176.557 176.600 0.333 0.000 1.069 316 E CA -0.020 56.458 56.400 0.129 0.000 0.876 316 E CB 0.027 29.832 29.700 0.175 0.000 0.843 316 E HN 0.215 nan 8.360 nan 0.000 0.530 317 W N 0.358 121.699 121.300 0.068 0.000 2.283 317 W HA 0.199 5.366 4.660 0.845 0.000 0.341 317 W C 1.285 177.864 176.519 0.099 0.000 1.206 317 W CA -1.280 56.116 57.345 0.086 0.000 1.294 317 W CB 0.700 30.206 29.460 0.077 0.000 1.154 317 W HN -0.206 nan 8.180 nan 0.000 0.613 318 S N 0.503 116.411 115.700 0.347 0.000 2.483 318 S HA 0.119 5.053 4.470 0.773 0.000 0.221 318 S C -0.053 174.697 174.600 0.251 0.000 1.030 318 S CA 0.106 58.459 58.200 0.255 0.000 0.925 318 S CB 0.170 63.501 63.200 0.218 0.000 0.795 318 S HN 0.250 nan 8.310 nan 0.000 0.511 319 L N 0.742 122.131 121.223 0.276 0.000 2.464 319 L HA 0.623 5.427 4.340 0.773 0.000 0.266 319 L C -1.633 175.430 176.870 0.322 0.000 0.965 319 L CA -0.587 54.362 54.840 0.180 0.000 0.833 319 L CB 1.728 43.721 42.059 -0.111 0.000 1.296 319 L HN 0.123 nan 8.230 nan 0.000 0.405 320 C N 5.368 124.829 119.300 0.267 0.000 2.340 320 C HA 0.855 5.779 4.460 0.773 0.000 0.323 320 C C -0.804 174.213 174.990 0.045 0.000 1.260 320 C CA -0.417 58.815 59.018 0.357 0.000 1.464 320 C CB 0.716 28.709 27.740 0.422 0.000 2.156 320 C HN 0.625 nan 8.230 nan 0.000 0.476 321 V N 6.269 126.207 119.914 0.041 0.000 2.357 321 V HA 0.618 5.202 4.120 0.773 0.000 0.284 321 V C 0.611 176.713 176.094 0.013 0.000 1.018 321 V CA -0.284 61.911 62.300 -0.175 0.000 0.841 321 V CB 1.345 33.084 31.823 -0.140 0.000 0.991 321 V HN 1.065 nan 8.190 nan 0.000 0.437 322 A N 4.163 127.027 122.820 0.072 0.000 2.343 322 A HA 0.621 5.404 4.320 0.773 0.000 0.305 322 A C 0.721 178.414 177.584 0.182 0.000 1.308 322 A CA -0.247 51.877 52.037 0.146 0.000 0.949 322 A CB -0.096 19.033 19.000 0.215 0.000 1.148 322 A HN 0.905 nan 8.150 nan 0.000 0.545 323 T N -0.216 114.407 114.554 0.115 0.000 2.847 323 T HA 0.597 5.411 4.350 0.773 0.000 0.279 323 T C -0.625 174.185 174.700 0.184 0.000 0.984 323 T CA -0.493 61.705 62.100 0.164 0.000 0.988 323 T CB 1.334 70.279 68.868 0.128 0.000 1.040 323 T HN 0.453 nan 8.240 nan 0.000 0.528 324 D N -0.457 120.068 120.400 0.208 0.000 2.964 324 D HA 0.503 5.606 4.640 0.773 0.000 0.234 324 D C -1.372 175.054 176.300 0.210 0.000 1.223 324 D CA -0.443 53.664 54.000 0.179 0.000 0.889 324 D CB 2.031 42.894 40.800 0.105 0.000 1.609 324 D HN 0.524 nan 8.370 nan 0.000 0.523 325 V N 1.868 121.918 119.914 0.227 0.000 2.459 325 V HA 0.524 5.107 4.120 0.773 0.000 0.295 325 V C 0.320 176.538 176.094 0.206 0.000 1.029 325 V CA -0.885 61.557 62.300 0.236 0.000 0.874 325 V CB 1.642 33.654 31.823 0.315 0.000 0.985 325 V HN 0.577 nan 8.190 nan 0.000 0.438 326 S N 3.069 118.875 115.700 0.176 0.000 2.523 326 S HA 0.218 5.151 4.470 0.773 0.000 0.275 326 S C 0.418 175.231 174.600 0.354 0.000 1.281 326 S CA -0.231 58.096 58.200 0.211 0.000 1.050 326 S CB -0.010 63.296 63.200 0.177 0.000 0.937 326 S HN 0.950 nan 8.310 nan 0.000 0.492 327 D N 2.976 123.561 120.400 0.308 0.000 2.810 327 D HA -0.235 4.869 4.640 0.773 0.000 0.224 327 D C 1.007 177.539 176.300 0.387 0.000 1.222 327 D CA 0.904 55.082 54.000 0.297 0.000 0.698 327 D CB -1.009 39.927 40.800 0.228 0.000 0.961 327 D HN 0.884 nan 8.370 nan 0.000 0.403 328 H N 0.687 119.908 119.070 0.251 0.000 2.289 328 H HA -0.176 4.844 4.556 0.772 0.000 0.296 328 H C 1.079 176.559 175.328 0.253 0.000 1.091 328 H CA 2.186 58.392 56.048 0.262 0.000 1.274 328 H CB 0.400 30.287 29.762 0.207 0.000 1.364 328 H HN 0.326 nan 8.280 nan 0.000 0.490 329 D N -0.456 120.097 120.400 0.255 0.000 2.144 329 D HA -0.114 4.990 4.640 0.773 0.000 0.200 329 D C 2.324 178.650 176.300 0.044 0.000 0.978 329 D CA 2.105 56.172 54.000 0.112 0.000 0.833 329 D CB -0.530 40.319 40.800 0.081 0.000 0.961 329 D HN 0.635 nan 8.370 nan 0.000 0.470 330 T N -2.392 112.175 114.554 0.021 0.000 2.985 330 T HA -0.031 4.783 4.350 0.773 0.000 0.266 330 T C 1.918 176.569 174.700 -0.082 0.000 1.076 330 T CA 0.388 62.448 62.100 -0.068 0.000 1.135 330 T CB -0.609 68.164 68.868 -0.157 0.000 0.890 330 T HN 0.081 nan 8.240 nan 0.000 0.480 331 F N -0.338 119.627 119.950 0.026 0.000 2.664 331 F HA 0.339 5.332 4.527 0.777 0.000 0.296 331 F C 0.875 176.646 175.800 -0.048 0.000 1.125 331 F CA -1.371 56.631 58.000 0.003 0.000 1.444 331 F CB 0.019 39.028 39.000 0.014 0.000 1.114 331 F HN 0.168 nan 8.300 nan 0.000 0.576 332 W N 5.369 126.604 121.300 -0.108 0.000 2.385 332 W HA 0.031 5.154 4.660 0.773 0.000 0.336 332 W C -2.245 174.124 176.519 -0.250 0.000 1.351 332 W CA -1.815 55.373 57.345 -0.262 0.000 1.295 332 W CB 0.129 29.404 29.460 -0.307 0.000 1.239 332 W HN -0.185 nan 8.180 nan 0.000 0.565 333 P HA 0.099 nan 4.420 nan 0.000 0.287 333 P C 0.593 177.256 177.300 -1.060 0.000 1.294 333 P CA 0.163 62.666 63.100 -0.995 0.000 0.776 333 P CB 1.306 32.056 31.700 -1.584 0.000 0.889 334 G N 3.858 112.406 108.800 -0.420 0.000 2.470 334 G HA2 -0.226 4.198 3.960 0.773 0.000 0.220 334 G HA3 -0.226 4.198 3.960 0.773 0.000 0.220 334 G C 1.210 175.986 174.900 -0.207 0.000 1.121 334 G CA -0.066 44.927 45.100 -0.179 0.000 0.766 334 G HN 0.709 nan 8.290 nan 0.000 0.553 335 W N -0.014 121.158 121.300 -0.213 0.000 2.467 335 W HA 0.125 5.247 4.660 0.769 0.000 0.275 335 W C 1.600 177.944 176.519 -0.290 0.000 1.239 335 W CA 0.230 57.455 57.345 -0.201 0.000 1.266 335 W CB -0.806 28.546 29.460 -0.180 0.000 1.112 335 W HN 0.152 nan 8.180 nan 0.000 0.576 336 L N 2.326 123.013 121.223 -0.893 0.000 2.141 336 L HA -0.063 4.740 4.340 0.773 0.000 0.209 336 L C 3.001 179.698 176.870 -0.289 0.000 1.094 336 L CA 1.916 56.275 54.840 -0.802 0.000 0.763 336 L CB -0.954 40.212 42.059 -1.488 0.000 0.908 336 L HN -0.047 nan 8.230 nan 0.000 0.437 337 R N -0.397 119.984 120.500 -0.199 0.000 2.080 337 R HA -0.189 4.615 4.340 0.773 0.000 0.236 337 R C 1.748 178.121 176.300 0.122 0.000 1.137 337 R CA 2.126 58.331 56.100 0.175 0.000 0.943 337 R CB -0.496 29.941 30.300 0.228 0.000 0.846 337 R HN 0.409 nan 8.270 nan 0.000 0.431 338 D N 0.910 121.354 120.400 0.074 0.000 2.144 338 D HA -0.175 4.929 4.640 0.773 0.000 0.200 338 D C 1.979 178.324 176.300 0.074 0.000 0.978 338 D CA 0.926 54.977 54.000 0.084 0.000 0.833 338 D CB -0.260 40.591 40.800 0.086 0.000 0.961 338 D HN 0.294 nan 8.370 nan 0.000 0.470 339 L N 0.606 121.875 121.223 0.077 0.000 2.017 339 L HA -0.138 4.666 4.340 0.773 0.000 0.208 339 L C 2.314 179.205 176.870 0.036 0.000 1.073 339 L CA 1.053 55.931 54.840 0.065 0.000 0.745 339 L CB -0.142 41.970 42.059 0.089 0.000 0.894 339 L HN -0.068 nan 8.230 nan 0.000 0.432 340 I N -0.882 119.710 120.570 0.037 0.000 2.163 340 I HA -0.382 4.252 4.170 0.773 0.000 0.243 340 I C 2.641 178.712 176.117 -0.077 0.000 1.085 340 I CA 1.427 62.719 61.300 -0.012 0.000 1.347 340 I CB -0.552 37.485 38.000 0.061 0.000 1.044 340 I HN 0.442 nan 8.210 nan 0.000 0.408 341 C N 0.542 119.854 119.300 0.020 0.000 2.413 341 C HA -0.225 4.699 4.460 0.773 0.000 0.276 341 C C 2.611 177.589 174.990 -0.019 0.000 1.236 341 C CA 1.391 60.415 59.018 0.010 0.000 1.735 341 C CB -1.080 26.719 27.740 0.098 0.000 2.031 341 C HN 0.581 nan 8.230 nan 0.000 0.474 342 D N 0.539 120.943 120.400 0.007 0.000 2.104 342 D HA -0.194 4.910 4.640 0.773 0.000 0.194 342 D C 2.062 178.352 176.300 -0.016 0.000 0.994 342 D CA 1.792 55.797 54.000 0.007 0.000 0.830 342 D CB -0.223 40.589 40.800 0.021 0.000 0.959 342 D HN 0.410 nan 8.370 nan 0.000 0.452 343 E N -0.329 119.849 120.200 -0.036 0.000 2.110 343 E HA -0.089 4.725 4.350 0.773 0.000 0.193 343 E C 2.170 178.712 176.600 -0.096 0.000 0.988 343 E CA 0.748 57.119 56.400 -0.048 0.000 0.804 343 E CB -0.318 29.358 29.700 -0.041 0.000 0.745 343 E HN 0.421 nan 8.360 nan 0.000 0.458 344 L N -0.278 120.827 121.223 -0.197 0.000 2.046 344 L HA -0.158 4.646 4.340 0.773 0.000 0.208 344 L C 2.438 179.270 176.870 -0.062 0.000 1.077 344 L CA 0.854 55.515 54.840 -0.299 0.000 0.747 344 L CB -0.395 41.337 42.059 -0.544 0.000 0.896 344 L HN 0.200 nan 8.230 nan 0.000 0.432 345 L N -0.271 120.936 121.223 -0.027 0.000 2.042 345 L HA -0.231 4.573 4.340 0.773 0.000 0.210 345 L C 2.361 179.248 176.870 0.029 0.000 1.076 345 L CA 1.058 55.912 54.840 0.024 0.000 0.749 345 L CB -0.625 41.448 42.059 0.024 0.000 0.893 345 L HN 0.380 nan 8.230 nan 0.000 0.432 346 N N -0.022 118.687 118.700 0.015 0.000 2.166 346 N HA -0.157 5.046 4.740 0.773 0.000 0.186 346 N C 1.787 177.317 175.510 0.034 0.000 1.019 346 N CA 1.406 54.468 53.050 0.021 0.000 0.856 346 N CB -0.226 38.270 38.487 0.014 0.000 0.993 346 N HN 0.380 nan 8.380 nan 0.000 0.426 347 M N -0.848 118.782 119.600 0.050 0.000 2.557 347 M HA 0.085 5.029 4.480 0.773 0.000 0.259 347 M C 0.966 177.322 176.300 0.093 0.000 1.086 347 M CA 0.849 56.201 55.300 0.087 0.000 1.096 347 M CB 0.216 32.899 32.600 0.138 0.000 1.424 347 M HN 0.272 nan 8.290 nan 0.000 0.488 348 G N -0.577 108.273 108.800 0.084 0.000 2.148 348 G HA2 -0.238 4.186 3.960 0.773 0.000 0.203 348 G HA3 -0.238 4.186 3.960 0.773 0.000 0.203 348 G C -0.229 174.672 174.900 0.002 0.000 0.993 348 G CA -0.747 44.371 45.100 0.031 0.000 0.661 348 G HN 0.419 nan 8.290 nan 0.000 0.518 349 Y N 1.215 121.441 120.300 -0.123 0.000 2.480 349 Y HA 0.378 5.392 4.550 0.774 0.000 0.338 349 Y C 1.393 177.169 175.900 -0.206 0.000 1.220 349 Y CA 0.382 58.365 58.100 -0.193 0.000 1.430 349 Y CB 0.794 39.142 38.460 -0.188 0.000 1.311 349 Y HN 0.509 nan 8.280 nan 0.000 0.575 350 A N 6.343 129.001 122.820 -0.269 0.000 2.548 350 A HA 0.057 4.841 4.320 0.773 0.000 0.247 350 A C -1.730 175.645 177.584 -0.348 0.000 1.067 350 A CA -1.060 50.719 52.037 -0.431 0.000 0.757 350 A CB -0.145 18.257 19.000 -0.996 0.000 0.996 350 A HN 0.655 nan 8.150 nan 0.000 0.504 351 P HA -0.181 nan 4.420 nan 0.000 0.215 351 P C 1.597 178.924 177.300 0.046 0.000 1.153 351 P CA 1.876 64.975 63.100 -0.002 0.000 0.853 351 P CB -0.128 31.617 31.700 0.075 0.000 0.788 352 W N -1.736 119.645 121.300 0.134 0.000 2.363 352 W HA -0.134 4.990 4.660 0.775 0.000 0.296 352 W C 1.927 178.548 176.519 0.170 0.000 1.212 352 W CA 0.331 57.746 57.345 0.118 0.000 1.260 352 W CB -1.896 27.620 29.460 0.093 0.000 1.131 352 W HN 0.058 nan 8.180 nan 0.000 0.530 353 W N 2.318 123.305 121.300 -0.523 0.000 2.381 353 W HA -0.135 4.988 4.660 0.772 0.000 0.301 353 W C 2.429 178.944 176.519 -0.007 0.000 1.205 353 W CA 2.837 60.000 57.345 -0.303 0.000 1.285 353 W CB -0.633 28.382 29.460 -0.741 0.000 1.133 353 W HN -0.279 nan 8.180 nan 0.000 0.521 354 V N 1.264 121.270 119.914 0.154 0.000 2.407 354 V HA -0.300 4.284 4.120 0.773 0.000 0.248 354 V C 2.279 178.390 176.094 0.028 0.000 1.055 354 V CA 2.225 64.582 62.300 0.096 0.000 1.049 354 V CB -1.048 30.848 31.823 0.121 0.000 0.662 354 V HN 0.059 nan 8.190 nan 0.000 0.455 355 K N 0.470 120.906 120.400 0.059 0.000 2.057 355 K HA -0.072 4.711 4.320 0.773 0.000 0.206 355 K C 1.910 178.545 176.600 0.058 0.000 1.050 355 K CA 1.484 57.826 56.287 0.091 0.000 0.935 355 K CB -0.539 32.038 32.500 0.129 0.000 0.715 355 K HN 0.398 nan 8.250 nan 0.000 0.439 356 L N -0.489 120.730 121.223 -0.007 0.000 2.046 356 L HA -0.155 4.648 4.340 0.773 0.000 0.208 356 L C 2.250 179.033 176.870 -0.145 0.000 1.077 356 L CA 1.404 56.210 54.840 -0.056 0.000 0.747 356 L CB -0.483 41.520 42.059 -0.093 0.000 0.896 356 L HN 0.165 nan 8.230 nan 0.000 0.432 357 F N 0.910 120.570 119.950 -0.484 0.000 2.102 357 F HA -0.247 4.744 4.527 0.772 0.000 0.298 357 F C 2.654 178.350 175.800 -0.173 0.000 1.105 357 F CA 1.973 59.707 58.000 -0.444 0.000 1.239 357 F CB -0.151 38.415 39.000 -0.723 0.000 0.991 357 F HN 0.111 nan 8.300 nan 0.000 0.474 358 E N -0.619 119.584 120.200 0.004 0.000 2.077 358 E HA -0.202 4.612 4.350 0.773 0.000 0.193 358 E C 1.937 178.511 176.600 -0.043 0.000 0.989 358 E CA 1.898 58.301 56.400 0.004 0.000 0.800 358 E CB -0.266 29.488 29.700 0.089 0.000 0.746 358 E HN 0.388 nan 8.360 nan 0.000 0.452 359 T N 0.469 115.024 114.554 0.001 0.000 2.833 359 T HA -0.154 4.660 4.350 0.773 0.000 0.269 359 T C 2.011 176.682 174.700 -0.049 0.000 1.054 359 T CA 1.424 63.533 62.100 0.015 0.000 1.135 359 T CB -0.327 68.624 68.868 0.139 0.000 0.869 359 T HN 0.310 nan 8.240 nan 0.000 0.466 360 S N 1.118 116.752 115.700 -0.110 0.000 2.474 360 S HA 0.080 5.014 4.470 0.773 0.000 0.235 360 S C 1.508 176.090 174.600 -0.029 0.000 0.997 360 S CA 0.540 58.684 58.200 -0.094 0.000 0.949 360 S CB -0.532 62.569 63.200 -0.165 0.000 0.766 360 S HN 0.477 nan 8.310 nan 0.000 0.517 361 L N -0.256 120.891 121.223 -0.126 0.000 2.818 361 L HA 0.426 5.230 4.340 0.773 0.000 0.243 361 L C 1.068 177.931 176.870 -0.012 0.000 1.185 361 L CA 0.049 54.829 54.840 -0.099 0.000 0.988 361 L CB 0.160 42.113 42.059 -0.176 0.000 1.292 361 L HN 0.191 nan 8.230 nan 0.000 0.519 362 K N -0.751 119.651 120.400 0.003 0.000 2.554 362 K HA 0.222 5.006 4.320 0.773 0.000 0.211 362 K C -0.217 176.382 176.600 -0.002 0.000 1.226 362 K CA -0.478 55.807 56.287 -0.004 0.000 1.025 362 K CB 1.132 33.610 32.500 -0.037 0.000 1.021 362 K HN -0.038 nan 8.250 nan 0.000 0.600 363 L N 2.585 123.838 121.223 0.050 0.000 2.461 363 L HA 0.148 4.952 4.340 0.773 0.000 0.272 363 L C -2.319 174.606 176.870 0.092 0.000 1.197 363 L CA -1.605 53.253 54.840 0.029 0.000 0.836 363 L CB 0.193 42.228 42.059 -0.040 0.000 1.105 363 L HN -0.108 nan 8.230 nan 0.000 0.477 364 P HA 0.198 nan 4.420 nan 0.000 0.273 364 P C -1.550 175.845 177.300 0.159 0.000 1.250 364 P CA -0.206 62.949 63.100 0.092 0.000 0.793 364 P CB 0.702 32.442 31.700 0.067 0.000 1.011 365 V N -1.329 118.697 119.914 0.186 0.000 2.709 365 V HA 0.529 5.113 4.120 0.773 0.000 0.308 365 V C -1.502 174.732 176.094 0.234 0.000 1.062 365 V CA -1.021 61.407 62.300 0.214 0.000 0.901 365 V CB 1.665 33.579 31.823 0.151 0.000 1.003 365 V HN 0.413 nan 8.190 nan 0.000 0.425 366 Y N 3.966 124.352 120.300 0.143 0.000 2.335 366 Y HA 0.722 5.736 4.550 0.773 0.000 0.339 366 Y C -0.296 175.621 175.900 0.028 0.000 0.987 366 Y CA -0.637 57.565 58.100 0.171 0.000 1.140 366 Y CB 1.677 40.317 38.460 0.300 0.000 1.173 366 Y HN 0.681 nan 8.280 nan 0.000 0.486 367 V N 8.102 127.678 119.914 -0.564 0.000 2.385 367 V HA 0.288 4.872 4.120 0.773 0.000 0.269 367 V C 0.849 176.479 176.094 -0.773 0.000 1.043 367 V CA 0.467 62.413 62.300 -0.590 0.000 0.906 367 V CB 0.656 32.109 31.823 -0.616 0.000 0.995 367 V HN 1.102 nan 8.190 nan 0.000 0.467 368 G N 3.918 112.401 108.800 -0.528 0.000 2.629 368 G HA2 0.346 4.770 3.960 0.773 0.000 0.213 368 G HA3 0.346 4.770 3.960 0.773 0.000 0.213 368 G C 0.362 174.958 174.900 -0.507 0.000 1.425 368 G CA 0.604 45.468 45.100 -0.393 0.000 0.929 368 G HN 1.051 nan 8.290 nan 0.000 0.527 369 A N -0.125 122.582 122.820 -0.188 0.000 2.745 369 A HA 0.673 5.457 4.320 0.773 0.000 0.301 369 A C -1.968 175.612 177.584 -0.007 0.000 1.188 369 A CA -0.832 51.142 52.037 -0.105 0.000 0.746 369 A CB 1.610 20.652 19.000 0.070 0.000 1.207 369 A HN 0.163 nan 8.150 nan 0.000 0.432 370 P HA 0.157 nan 4.420 nan 0.000 0.223 370 P C 0.523 177.693 177.300 -0.217 0.000 1.151 370 P CA 1.732 64.515 63.100 -0.529 0.000 0.787 370 P CB 0.417 31.758 31.700 -0.597 0.000 0.788 371 A N -2.782 119.988 122.820 -0.082 0.000 2.540 371 A HA 0.569 5.353 4.320 0.773 0.000 0.291 371 A C -3.092 174.342 177.584 -0.251 0.000 1.083 371 A CA -1.386 50.469 52.037 -0.303 0.000 0.650 371 A CB 0.066 18.928 19.000 -0.230 0.000 1.292 371 A HN -0.310 nan 8.150 nan 0.000 0.435 372 P HA 0.396 nan 4.420 nan 0.000 0.268 372 P C -0.324 176.966 177.300 -0.017 0.000 1.204 372 P CA 1.136 64.142 63.100 -0.157 0.000 0.768 372 P CB 0.490 32.059 31.700 -0.219 0.000 0.842 373 E N -0.562 119.686 120.200 0.079 0.000 2.971 373 E HA -0.241 4.573 4.350 0.773 0.000 0.278 373 E C -0.480 176.190 176.600 0.116 0.000 1.009 373 E CA 1.270 57.724 56.400 0.090 0.000 0.862 373 E CB -1.726 28.001 29.700 0.045 0.000 1.436 373 E HN 0.560 nan 8.360 nan 0.000 0.434 374 Q N -1.531 118.354 119.800 0.140 0.000 2.421 374 Q HA 0.653 5.457 4.340 0.773 0.000 0.280 374 Q C 0.427 176.495 176.000 0.114 0.000 1.085 374 Q CA -0.440 55.472 55.803 0.182 0.000 0.807 374 Q CB 2.385 31.243 28.738 0.200 0.000 1.405 374 Q HN 0.260 nan 8.270 nan 0.000 0.419 375 G N 0.451 109.358 108.800 0.178 0.000 2.416 375 G HA2 -0.180 4.244 3.960 0.773 0.000 0.203 375 G HA3 -0.180 4.244 3.960 0.773 0.000 0.203 375 G C -0.913 173.926 174.900 -0.101 0.000 1.227 375 G CA -0.394 44.600 45.100 -0.177 0.000 1.041 375 G HN 0.883 nan 8.290 nan 0.000 0.546 376 H N -0.595 118.408 119.070 -0.112 0.000 2.677 376 H HA -0.119 4.901 4.556 0.774 0.000 0.321 376 H C 0.013 175.322 175.328 -0.032 0.000 1.171 376 H CA 1.596 57.611 56.048 -0.054 0.000 1.139 376 H CB -2.497 27.336 29.762 0.119 0.000 1.515 376 H HN 0.974 nan 8.280 nan 0.000 0.423 377 T N 1.372 115.801 114.554 -0.207 0.000 2.971 377 T HA 0.400 5.214 4.350 0.773 0.000 0.304 377 T C 0.080 174.815 174.700 0.058 0.000 1.038 377 T CA -0.832 61.324 62.100 0.092 0.000 1.007 377 T CB 2.403 71.449 68.868 0.296 0.000 1.055 377 T HN 0.211 nan 8.240 nan 0.000 0.451 378 L N 4.256 125.679 121.223 0.333 0.000 2.305 378 L HA 0.609 5.413 4.340 0.773 0.000 0.281 378 L C -1.178 175.923 176.870 0.385 0.000 1.085 378 L CA -0.325 54.773 54.840 0.430 0.000 0.813 378 L CB 0.199 42.593 42.059 0.558 0.000 1.157 378 L HN 0.584 nan 8.230 nan 0.000 0.436 379 L N 6.127 127.537 121.223 0.311 0.000 2.287 379 L HA 0.827 5.631 4.340 0.773 0.000 0.287 379 L C 0.531 177.531 176.870 0.216 0.000 1.022 379 L CA -0.380 54.608 54.840 0.247 0.000 0.814 379 L CB 1.001 43.194 42.059 0.223 0.000 1.217 379 L HN 0.930 nan 8.230 nan 0.000 0.420 380 G N 2.179 111.099 108.800 0.200 0.000 2.663 380 G HA2 -0.148 4.276 3.960 0.773 0.000 0.686 380 G HA3 -0.148 4.276 3.960 0.773 0.000 0.686 380 G C -1.464 173.630 174.900 0.323 0.000 1.246 380 G CA -0.853 44.359 45.100 0.187 0.000 0.795 380 G HN 0.657 nan 8.290 nan 0.000 0.627 381 D N 1.502 122.035 120.400 0.221 0.000 2.392 381 D HA 0.580 5.684 4.640 0.773 0.000 0.228 381 D C -0.989 175.298 176.300 -0.022 0.000 1.074 381 D CA -2.289 51.815 54.000 0.173 0.000 0.838 381 D CB 1.775 42.696 40.800 0.201 0.000 1.067 381 D HN 0.011 nan 8.370 nan 0.000 0.511 382 P HA -0.093 nan 4.420 nan 0.000 0.219 382 P C 1.106 178.329 177.300 -0.130 0.000 1.146 382 P CA 0.815 63.815 63.100 -0.168 0.000 0.808 382 P CB 0.364 31.902 31.700 -0.270 0.000 0.779 383 S N -1.707 113.945 115.700 -0.080 0.000 2.447 383 S HA -0.069 4.865 4.470 0.773 0.000 0.233 383 S C 0.985 175.579 174.600 -0.011 0.000 1.006 383 S CA 0.864 59.073 58.200 0.015 0.000 0.957 383 S CB -0.505 62.708 63.200 0.021 0.000 0.773 383 S HN 0.177 nan 8.310 nan 0.000 0.507 384 N N 0.861 119.461 118.700 -0.167 0.000 2.751 384 N HA 0.244 5.448 4.740 0.773 0.000 0.238 384 N C -3.400 171.896 175.510 -0.357 0.000 1.351 384 N CA -1.173 51.684 53.050 -0.323 0.000 0.751 384 N CB 1.253 39.685 38.487 -0.090 0.000 1.342 384 N HN -0.054 nan 8.380 nan 0.000 0.540 385 P HA 0.062 nan 4.420 nan 0.000 0.258 385 P C -0.294 176.873 177.300 -0.222 0.000 1.187 385 P CA 0.466 63.356 63.100 -0.349 0.000 0.767 385 P CB 0.346 31.789 31.700 -0.427 0.000 0.770 386 D N 1.930 122.265 120.400 -0.108 0.000 2.783 386 D HA 0.092 5.196 4.640 0.773 0.000 0.306 386 D C -0.328 175.960 176.300 -0.020 0.000 1.633 386 D CA -0.151 53.815 54.000 -0.057 0.000 0.796 386 D CB -0.732 40.042 40.800 -0.045 0.000 1.230 386 D HN 0.007 nan 8.370 nan 0.000 0.441 387 L N 0.674 121.891 121.223 -0.010 0.000 2.456 387 L HA 0.434 5.238 4.340 0.773 0.000 0.257 387 L C 0.756 177.634 176.870 0.013 0.000 1.162 387 L CA 0.387 55.233 54.840 0.009 0.000 0.808 387 L CB 0.744 42.821 42.059 0.029 0.000 1.136 387 L HN 0.002 nan 8.230 nan 0.000 0.466 388 E N 1.034 121.242 120.200 0.014 0.000 3.935 388 E HA 0.119 4.933 4.350 0.773 0.000 0.226 388 E C 0.641 177.251 176.600 0.017 0.000 1.220 388 E CA 0.039 56.453 56.400 0.022 0.000 1.226 388 E CB 0.846 30.557 29.700 0.019 0.000 1.237 388 E HN 0.469 nan 8.360 nan 0.000 0.417 389 V N -1.636 118.285 119.914 0.011 0.000 3.217 389 V HA 0.282 4.866 4.120 0.773 0.000 0.264 389 V C 1.027 177.116 176.094 -0.007 0.000 1.135 389 V CA 1.287 63.583 62.300 -0.008 0.000 1.142 389 V CB -0.479 31.326 31.823 -0.030 0.000 0.754 389 V HN 0.495 nan 8.190 nan 0.000 0.484 390 G N 0.225 109.049 108.800 0.041 0.000 2.709 390 G HA2 -0.168 4.256 3.960 0.773 0.000 0.228 390 G HA3 -0.168 4.256 3.960 0.773 0.000 0.228 390 G C -0.571 174.360 174.900 0.052 0.000 1.215 390 G CA -0.088 45.084 45.100 0.120 0.000 1.003 390 G HN 0.534 nan 8.290 nan 0.000 0.584 391 L N 1.896 123.054 121.223 -0.108 0.000 2.280 391 L HA 0.590 5.394 4.340 0.773 0.000 0.287 391 L C 0.175 176.852 176.870 -0.322 0.000 1.023 391 L CA -0.550 54.048 54.840 -0.402 0.000 0.819 391 L CB 1.516 43.225 42.059 -0.583 0.000 1.212 391 L HN 0.560 nan 8.230 nan 0.000 0.420 392 S N 1.355 116.809 115.700 -0.411 0.000 2.499 392 S HA 0.027 4.961 4.470 0.773 0.000 0.275 392 S C 1.257 175.606 174.600 -0.419 0.000 1.257 392 S CA -0.245 57.630 58.200 -0.542 0.000 1.050 392 S CB 1.513 64.054 63.200 -1.099 0.000 0.937 392 S HN 0.830 nan 8.310 nan 0.000 0.490 393 S N 3.309 118.833 115.700 -0.293 0.000 2.383 393 S HA -0.103 4.831 4.470 0.773 0.000 0.229 393 S C 1.711 176.252 174.600 -0.099 0.000 1.030 393 S CA 1.019 59.125 58.200 -0.157 0.000 1.002 393 S CB -0.645 62.499 63.200 -0.093 0.000 0.829 393 S HN 0.813 nan 8.310 nan 0.000 0.467 394 G N 0.913 109.652 108.800 -0.102 0.000 3.181 394 G HA2 0.121 4.545 3.960 0.773 0.000 0.219 394 G HA3 0.121 4.545 3.960 0.773 0.000 0.219 394 G C 0.339 175.353 174.900 0.190 0.000 1.182 394 G CA -0.398 44.755 45.100 0.089 0.000 0.791 394 G HN 0.492 nan 8.290 nan 0.000 0.537 395 Q N 0.471 120.305 119.800 0.057 0.000 2.373 395 Q HA 0.180 4.984 4.340 0.773 0.000 0.255 395 Q C 1.618 177.673 176.000 0.091 0.000 0.980 395 Q CA 0.234 56.106 55.803 0.115 0.000 0.882 395 Q CB 1.311 30.015 28.738 -0.056 0.000 1.249 395 Q HN 0.125 nan 8.270 nan 0.000 0.438 396 G N 2.457 111.330 108.800 0.121 0.000 2.516 396 G HA2 -0.137 4.287 3.960 0.773 0.000 0.221 396 G HA3 -0.137 4.287 3.960 0.773 0.000 0.221 396 G C 0.617 175.621 174.900 0.173 0.000 1.107 396 G CA 0.868 46.063 45.100 0.159 0.000 0.747 396 G HN 0.617 nan 8.290 nan 0.000 0.567 397 A N -0.088 122.826 122.820 0.156 0.000 2.585 397 A HA 0.464 5.248 4.320 0.773 0.000 0.281 397 A C 1.821 179.451 177.584 0.076 0.000 0.945 397 A CA 0.948 53.091 52.037 0.176 0.000 1.031 397 A CB -0.395 18.823 19.000 0.364 0.000 1.221 397 A HN 0.278 nan 8.150 nan 0.000 0.496 398 T N -0.673 113.878 114.554 -0.005 0.000 2.737 398 T HA -0.266 4.548 4.350 0.773 0.000 0.269 398 T C 1.515 176.193 174.700 -0.037 0.000 1.040 398 T CA 1.827 63.870 62.100 -0.095 0.000 1.142 398 T CB -0.560 68.244 68.868 -0.106 0.000 0.861 398 T HN 0.594 nan 8.240 nan 0.000 0.456 399 D N 2.124 122.537 120.400 0.022 0.000 2.117 399 D HA -0.118 4.986 4.640 0.773 0.000 0.197 399 D C 2.231 178.559 176.300 0.046 0.000 0.987 399 D CA 0.959 54.985 54.000 0.043 0.000 0.829 399 D CB -0.766 40.079 40.800 0.074 0.000 0.961 399 D HN 0.453 nan 8.370 nan 0.000 0.460 400 L N -0.508 120.743 121.223 0.046 0.000 2.046 400 L HA -0.129 4.675 4.340 0.773 0.000 0.208 400 L C 2.842 179.800 176.870 0.148 0.000 1.077 400 L CA 0.836 55.702 54.840 0.043 0.000 0.747 400 L CB -0.426 41.668 42.059 0.057 0.000 0.896 400 L HN -0.022 nan 8.230 nan 0.000 0.432 401 M N -0.355 119.337 119.600 0.154 0.000 2.159 401 M HA -0.095 4.849 4.480 0.773 0.000 0.263 401 M C 2.370 178.894 176.300 0.374 0.000 1.063 401 M CA 1.854 57.287 55.300 0.221 0.000 1.110 401 M CB -1.723 30.750 32.600 -0.213 0.000 1.374 401 M HN 0.309 nan 8.290 nan 0.000 0.411 402 G N -0.574 108.367 108.800 0.235 0.000 2.394 402 G HA2 -0.146 4.278 3.960 0.773 0.000 0.215 402 G HA3 -0.146 4.278 3.960 0.773 0.000 0.215 402 G C 1.575 176.691 174.900 0.360 0.000 1.165 402 G CA 1.236 46.591 45.100 0.425 0.000 0.784 402 G HN 0.388 nan 8.290 nan 0.000 0.535 403 T N 1.397 116.084 114.554 0.223 0.000 2.708 403 T HA -0.112 4.702 4.350 0.773 0.000 0.266 403 T C 2.212 177.076 174.700 0.274 0.000 1.037 403 T CA 1.120 63.344 62.100 0.207 0.000 1.146 403 T CB -0.258 68.614 68.868 0.006 0.000 0.865 403 T HN 0.107 nan 8.240 nan 0.000 0.435 404 L N 1.667 123.052 121.223 0.270 0.000 1.989 404 L HA -0.005 4.799 4.340 0.773 0.000 0.211 404 L C 2.236 179.362 176.870 0.427 0.000 1.071 404 L CA 1.708 56.769 54.840 0.368 0.000 0.749 404 L CB -1.577 40.706 42.059 0.374 0.000 0.890 404 L HN 0.254 nan 8.230 nan 0.000 0.431 405 L N -0.509 120.966 121.223 0.419 0.000 1.970 405 L HA -0.234 4.570 4.340 0.773 0.000 0.212 405 L C 2.407 179.450 176.870 0.288 0.000 1.071 405 L CA 2.185 57.225 54.840 0.332 0.000 0.751 405 L CB -0.640 41.569 42.059 0.250 0.000 0.889 405 L HN 0.241 nan 8.230 nan 0.000 0.432 406 M N -0.972 118.781 119.600 0.254 0.000 2.132 406 M HA -0.138 4.806 4.480 0.773 0.000 0.263 406 M C 2.619 178.864 176.300 -0.091 0.000 1.065 406 M CA 1.819 57.096 55.300 -0.038 0.000 1.122 406 M CB -1.823 30.826 32.600 0.082 0.000 1.365 406 M HN 0.495 nan 8.290 nan 0.000 0.411 407 S N 0.749 116.657 115.700 0.346 0.000 2.359 407 S HA -0.111 4.823 4.470 0.773 0.000 0.224 407 S C 1.867 176.719 174.600 0.420 0.000 1.035 407 S CA 1.091 59.638 58.200 0.579 0.000 1.018 407 S CB -0.033 63.665 63.200 0.829 0.000 0.876 407 S HN 0.283 nan 8.310 nan 0.000 0.448 408 I N 1.385 122.112 120.570 0.261 0.000 2.315 408 I HA -0.075 4.559 4.170 0.773 0.000 0.248 408 I C 2.462 178.530 176.117 -0.082 0.000 1.117 408 I CA 1.303 62.578 61.300 -0.043 0.000 1.404 408 I CB -2.120 35.628 38.000 -0.420 0.000 1.071 408 I HN 0.309 nan 8.210 nan 0.000 0.419 409 T N 0.654 115.214 114.554 0.009 0.000 2.746 409 T HA -0.191 4.623 4.350 0.773 0.000 0.267 409 T C 1.878 176.636 174.700 0.096 0.000 1.039 409 T CA 1.521 63.677 62.100 0.092 0.000 1.142 409 T CB -0.312 68.580 68.868 0.041 0.000 0.866 409 T HN 0.175 nan 8.240 nan 0.000 0.444 410 Y N 0.898 121.336 120.300 0.229 0.000 2.200 410 Y HA 0.072 5.083 4.550 0.768 0.000 0.290 410 Y C 2.157 178.138 175.900 0.134 0.000 1.137 410 Y CA -0.149 58.071 58.100 0.200 0.000 1.163 410 Y CB -1.054 37.531 38.460 0.209 0.000 0.988 410 Y HN 0.114 nan 8.280 nan 0.000 0.518 411 L N -0.408 120.941 121.223 0.210 0.000 2.017 411 L HA -0.143 4.661 4.340 0.773 0.000 0.208 411 L C 2.157 179.004 176.870 -0.038 0.000 1.073 411 L CA 1.510 56.316 54.840 -0.056 0.000 0.745 411 L CB -1.032 40.849 42.059 -0.298 0.000 0.894 411 L HN 0.039 nan 8.230 nan 0.000 0.432 412 V N -0.342 119.572 119.914 0.001 0.000 2.392 412 V HA -0.354 4.230 4.120 0.773 0.000 0.249 412 V C 2.662 178.814 176.094 0.096 0.000 1.059 412 V CA 2.298 64.614 62.300 0.025 0.000 1.051 412 V CB -0.556 31.328 31.823 0.103 0.000 0.658 412 V HN 0.502 nan 8.190 nan 0.000 0.455 413 M N -0.964 118.755 119.600 0.199 0.000 2.117 413 M HA -0.258 4.686 4.480 0.773 0.000 0.262 413 M C 2.374 178.883 176.300 0.349 0.000 1.065 413 M CA 1.908 57.402 55.300 0.322 0.000 1.114 413 M CB -0.294 32.534 32.600 0.379 0.000 1.361 413 M HN 0.387 nan 8.290 nan 0.000 0.408 414 Q N -0.142 119.817 119.800 0.264 0.000 2.079 414 Q HA -0.120 4.684 4.340 0.773 0.000 0.200 414 Q C 2.040 178.149 176.000 0.182 0.000 0.974 414 Q CA 1.164 57.142 55.803 0.293 0.000 0.840 414 Q CB -0.107 28.696 28.738 0.109 0.000 0.898 414 Q HN 0.527 nan 8.270 nan 0.000 0.430 415 L N 0.687 121.935 121.223 0.041 0.000 1.988 415 L HA -0.218 4.586 4.340 0.773 0.000 0.207 415 L C 1.935 178.778 176.870 -0.046 0.000 1.071 415 L CA 1.072 55.880 54.840 -0.052 0.000 0.744 415 L CB -0.530 41.450 42.059 -0.130 0.000 0.893 415 L HN 0.176 nan 8.230 nan 0.000 0.433 416 D N -0.710 119.645 120.400 -0.074 0.000 2.116 416 D HA -0.202 4.902 4.640 0.773 0.000 0.193 416 D C 1.997 178.137 176.300 -0.266 0.000 0.998 416 D CA 1.502 55.370 54.000 -0.219 0.000 0.836 416 D CB -0.197 40.376 40.800 -0.379 0.000 0.951 416 D HN 0.442 nan 8.370 nan 0.000 0.449 417 H N -1.812 117.306 119.070 0.080 0.000 2.622 417 H HA 0.192 5.203 4.556 0.758 0.000 0.269 417 H C 1.457 176.839 175.328 0.091 0.000 0.977 417 H CA 1.267 57.363 56.048 0.080 0.000 1.179 417 H CB 0.931 30.747 29.762 0.089 0.000 1.458 417 H HN 0.280 nan 8.280 nan 0.000 0.531 418 T N -3.561 111.130 114.554 0.229 0.000 3.100 418 T HA 0.340 5.154 4.350 0.773 0.000 0.255 418 T C 1.030 175.877 174.700 0.245 0.000 0.893 418 T CA 0.301 62.544 62.100 0.238 0.000 0.882 418 T CB 0.077 69.172 68.868 0.378 0.000 1.266 418 T HN 0.127 nan 8.240 nan 0.000 0.528 419 A N 2.651 125.545 122.820 0.122 0.000 3.105 419 A HA 0.616 5.400 4.320 0.773 0.000 0.297 419 A C -1.453 175.952 177.584 -0.298 0.000 0.977 419 A CA -1.090 50.864 52.037 -0.138 0.000 1.020 419 A CB 0.496 19.366 19.000 -0.217 0.000 1.098 419 A HN 0.323 nan 8.150 nan 0.000 0.497 420 P HA -0.224 nan 4.420 nan 0.000 0.221 420 P C 0.989 178.234 177.300 -0.090 0.000 1.145 420 P CA 1.324 64.380 63.100 -0.072 0.000 0.795 420 P CB -0.327 31.378 31.700 0.009 0.000 0.775 421 H N -0.721 118.334 119.070 -0.025 0.000 2.561 421 H HA 0.086 5.047 4.556 0.675 0.000 0.278 421 H C 1.568 176.861 175.328 -0.058 0.000 1.014 421 H CA 0.406 56.437 56.048 -0.029 0.000 1.211 421 H CB -0.983 28.778 29.762 -0.000 0.000 1.365 421 H HN 0.215 nan 8.280 nan 0.000 0.594 422 L N 0.228 121.175 121.223 -0.461 0.000 2.554 422 L HA 0.039 4.843 4.340 0.773 0.000 0.225 422 L C 1.608 178.223 176.870 -0.424 0.000 1.104 422 L CA -0.096 54.504 54.840 -0.399 0.000 0.866 422 L CB -0.108 41.680 42.059 -0.452 0.000 1.047 422 L HN 0.077 nan 8.230 nan 0.000 0.468 423 N N 0.584 119.093 118.700 -0.319 0.000 2.149 423 N HA -0.177 5.027 4.740 0.773 0.000 0.188 423 N C 2.051 177.418 175.510 -0.239 0.000 1.019 423 N CA 1.785 54.665 53.050 -0.284 0.000 0.857 423 N CB -0.234 38.141 38.487 -0.188 0.000 0.997 423 N HN 0.351 nan 8.380 nan 0.000 0.426 424 S N 0.400 115.997 115.700 -0.172 0.000 2.507 424 S HA 0.021 4.955 4.470 0.773 0.000 0.235 424 S C 1.569 176.087 174.600 -0.137 0.000 0.988 424 S CA 0.363 58.490 58.200 -0.122 0.000 0.944 424 S CB -0.022 63.136 63.200 -0.070 0.000 0.762 424 S HN 0.188 nan 8.310 nan 0.000 0.526 425 R N 0.634 121.003 120.500 -0.218 0.000 2.276 425 R HA 0.282 5.086 4.340 0.773 0.000 0.203 425 R C 0.121 176.296 176.300 -0.208 0.000 1.017 425 R CA 0.455 56.432 56.100 -0.204 0.000 1.010 425 R CB -0.385 29.730 30.300 -0.309 0.000 0.900 425 R HN 0.512 nan 8.270 nan 0.000 0.469 426 I N 1.161 121.577 120.570 -0.257 0.000 2.503 426 I HA 0.170 4.804 4.170 0.773 0.000 0.277 426 I C 0.786 176.829 176.117 -0.124 0.000 1.078 426 I CA -0.067 61.117 61.300 -0.193 0.000 1.184 426 I CB 1.351 39.187 38.000 -0.272 0.000 1.353 426 I HN -0.198 nan 8.210 nan 0.000 0.490 427 K N 2.457 122.810 120.400 -0.079 0.000 2.370 427 K HA 0.157 4.941 4.320 0.773 0.000 0.194 427 K C -0.319 176.258 176.600 -0.039 0.000 1.070 427 K CA 0.325 56.578 56.287 -0.056 0.000 0.998 427 K CB 0.469 32.943 32.500 -0.043 0.000 0.911 427 K HN 0.674 nan 8.250 nan 0.000 0.533 428 D N -2.327 118.054 120.400 -0.031 0.000 2.851 428 D HA 0.068 5.172 4.640 0.773 0.000 0.339 428 D C 0.643 176.936 176.300 -0.012 0.000 1.347 428 D CA -0.690 53.299 54.000 -0.019 0.000 0.888 428 D CB 0.028 40.822 40.800 -0.011 0.000 1.431 428 D HN -0.365 nan 8.370 nan 0.000 0.509 429 M N -0.692 118.907 119.600 -0.003 0.000 2.067 429 M HA 0.037 4.981 4.480 0.773 0.000 0.260 429 M C -0.984 175.322 176.300 0.009 0.000 1.069 429 M CA 1.664 56.966 55.300 0.004 0.000 1.117 429 M CB -2.336 30.270 32.600 0.011 0.000 1.334 429 M HN 0.350 nan 8.290 nan 0.000 0.407 430 P HA -0.112 nan 4.420 nan 0.000 0.215 430 P C 1.698 179.013 177.300 0.025 0.000 1.157 430 P CA 2.147 65.259 63.100 0.021 0.000 0.868 430 P CB -0.185 31.526 31.700 0.019 0.000 0.788 431 S N -0.929 114.782 115.700 0.017 0.000 2.406 431 S HA -0.028 4.906 4.470 0.773 0.000 0.228 431 S C 2.096 176.721 174.600 0.042 0.000 1.020 431 S CA 0.943 59.158 58.200 0.026 0.000 0.965 431 S CB -1.371 61.830 63.200 0.003 0.000 0.798 431 S HN 0.085 nan 8.310 nan 0.000 0.488 432 A N 1.098 123.926 122.820 0.014 0.000 1.902 432 A HA -0.049 4.735 4.320 0.773 0.000 0.217 432 A C 2.496 180.089 177.584 0.016 0.000 1.181 432 A CA 1.481 53.526 52.037 0.013 0.000 0.623 432 A CB -1.539 17.446 19.000 -0.024 0.000 0.818 432 A HN 0.681 nan 8.150 nan 0.000 0.443 433 C N -1.072 118.229 119.300 0.002 0.000 2.432 433 C HA -0.086 4.838 4.460 0.773 0.000 0.277 433 C C 2.870 177.861 174.990 0.001 0.000 1.249 433 C CA 1.147 60.157 59.018 -0.012 0.000 1.725 433 C CB -1.324 26.429 27.740 0.021 0.000 2.028 433 C HN 0.604 nan 8.230 nan 0.000 0.477 434 R N -0.443 120.083 120.500 0.043 0.000 2.091 434 R HA -0.164 4.640 4.340 0.773 0.000 0.238 434 R C 2.079 178.413 176.300 0.057 0.000 1.136 434 R CA 1.841 57.977 56.100 0.060 0.000 0.959 434 R CB -0.579 29.765 30.300 0.073 0.000 0.856 434 R HN 0.623 nan 8.270 nan 0.000 0.437 435 F N 1.054 120.970 119.950 -0.056 0.000 2.146 435 F HA -0.152 4.821 4.527 0.743 0.000 0.298 435 F C 1.948 177.683 175.800 -0.108 0.000 1.096 435 F CA 1.035 58.992 58.000 -0.072 0.000 1.275 435 F CB -0.256 38.679 39.000 -0.108 0.000 1.008 435 F HN -0.077 nan 8.300 nan 0.000 0.480 436 L N 0.883 121.924 121.223 -0.303 0.000 2.056 436 L HA -0.183 4.621 4.340 0.773 0.000 0.207 436 L C 2.276 178.849 176.870 -0.495 0.000 1.078 436 L CA 2.253 56.752 54.840 -0.570 0.000 0.749 436 L CB -1.280 40.403 42.059 -0.627 0.000 0.901 436 L HN 0.348 nan 8.230 nan 0.000 0.433 437 D N -1.588 118.673 120.400 -0.231 0.000 2.149 437 D HA -0.237 4.867 4.640 0.773 0.000 0.198 437 D C 2.014 178.350 176.300 0.061 0.000 0.990 437 D CA 1.505 55.531 54.000 0.043 0.000 0.839 437 D CB 0.281 41.177 40.800 0.160 0.000 0.948 437 D HN 0.464 nan 8.370 nan 0.000 0.460 438 S N -1.275 114.375 115.700 -0.084 0.000 2.395 438 S HA -0.166 4.768 4.470 0.773 0.000 0.225 438 S C 2.035 176.507 174.600 -0.214 0.000 1.027 438 S CA 0.496 58.639 58.200 -0.094 0.000 0.965 438 S CB -0.594 62.578 63.200 -0.046 0.000 0.812 438 S HN 0.491 nan 8.310 nan 0.000 0.482 439 Y N 0.201 120.193 120.300 -0.514 0.000 2.242 439 Y HA -0.048 4.949 4.550 0.745 0.000 0.291 439 Y C 1.777 177.561 175.900 -0.195 0.000 1.137 439 Y CA 1.761 59.564 58.100 -0.495 0.000 1.181 439 Y CB -0.356 37.626 38.460 -0.797 0.000 0.989 439 Y HN 0.339 nan 8.280 nan 0.000 0.527 440 W N 1.209 122.327 121.300 -0.302 0.000 2.465 440 W HA -0.063 5.058 4.660 0.768 0.000 0.268 440 W C 1.763 178.170 176.519 -0.188 0.000 1.242 440 W CA 1.021 58.177 57.345 -0.315 0.000 1.248 440 W CB -0.653 28.605 29.460 -0.337 0.000 1.118 440 W HN 0.298 nan 8.180 nan 0.000 0.587 441 Q N -0.665 119.108 119.800 -0.047 0.000 2.403 441 Q HA 0.193 4.997 4.340 0.773 0.000 0.203 441 Q C 1.517 177.105 176.000 -0.686 0.000 0.932 441 Q CA 0.644 56.269 55.803 -0.298 0.000 0.945 441 Q CB -0.049 28.321 28.738 -0.614 0.000 1.045 441 Q HN 0.247 nan 8.270 nan 0.000 0.511 442 G N 0.860 109.211 108.800 -0.748 0.000 2.147 442 G HA2 -0.304 4.120 3.960 0.773 0.000 0.244 442 G HA3 -0.304 4.120 3.960 0.773 0.000 0.244 442 G C 0.106 174.689 174.900 -0.527 0.000 1.005 442 G CA 0.398 44.814 45.100 -1.140 0.000 0.713 442 G HN 0.635 nan 8.290 nan 0.000 0.515 443 H N -0.302 118.571 119.070 -0.327 0.000 2.539 443 H HA 0.193 5.210 4.556 0.768 0.000 0.269 443 H C 0.964 176.218 175.328 -0.124 0.000 0.980 443 H CA 0.159 56.097 56.048 -0.183 0.000 1.152 443 H CB 0.517 30.214 29.762 -0.107 0.000 1.407 443 H HN 0.394 nan 8.280 nan 0.000 0.564 444 E N 0.757 120.933 120.200 -0.040 0.000 2.243 444 E HA 0.003 4.817 4.350 0.773 0.000 0.260 444 E C 0.906 177.501 176.600 -0.008 0.000 0.985 444 E CA -0.249 56.162 56.400 0.018 0.000 0.858 444 E CB 1.105 30.842 29.700 0.061 0.000 1.210 444 E HN 0.526 nan 8.360 nan 0.000 0.411 445 E N 0.264 120.493 120.200 0.049 0.000 2.347 445 E HA -0.053 4.761 4.350 0.773 0.000 0.196 445 E C 0.735 177.290 176.600 -0.075 0.000 1.008 445 E CA 0.607 57.026 56.400 0.032 0.000 0.852 445 E CB -0.361 29.413 29.700 0.123 0.000 0.783 445 E HN 0.406 nan 8.360 nan 0.000 0.505 446 I N -0.975 119.535 120.570 -0.099 0.000 2.441 446 I HA 0.579 5.213 4.170 0.773 0.000 0.295 446 I C -0.262 175.687 176.117 -0.279 0.000 0.994 446 I CA -1.265 59.833 61.300 -0.336 0.000 1.144 446 I CB 1.677 39.550 38.000 -0.211 0.000 1.314 446 I HN -0.147 nan 8.210 nan 0.000 0.445 447 R N 3.871 124.003 120.500 -0.612 0.000 2.846 447 R HA 0.702 5.506 4.340 0.773 0.000 0.263 447 R C -1.530 174.415 176.300 -0.591 0.000 1.080 447 R CA -0.988 54.747 56.100 -0.608 0.000 0.961 447 R CB 2.266 32.300 30.300 -0.442 0.000 1.231 447 R HN 0.842 nan 8.270 nan 0.000 0.465 448 Q N 0.383 120.004 119.800 -0.298 0.000 2.527 448 Q HA 0.547 5.350 4.340 0.773 0.000 0.280 448 Q C -1.439 174.557 176.000 -0.006 0.000 0.977 448 Q CA -1.020 54.697 55.803 -0.143 0.000 0.837 448 Q CB 1.697 30.394 28.738 -0.068 0.000 1.454 448 Q HN 0.628 nan 8.270 nan 0.000 0.387 449 I N -0.497 120.015 120.570 -0.097 0.000 2.498 449 I HA 0.900 5.534 4.170 0.773 0.000 0.290 449 I C -0.845 175.063 176.117 -0.347 0.000 1.032 449 I CA -0.586 60.571 61.300 -0.240 0.000 1.073 449 I CB 2.125 39.824 38.000 -0.501 0.000 1.251 449 I HN 0.883 nan 8.210 nan 0.000 0.426 450 S N 4.155 119.929 115.700 0.123 0.000 2.625 450 S HA 0.734 5.668 4.470 0.773 0.000 0.271 450 S C -1.091 173.903 174.600 0.656 0.000 1.161 450 S CA -0.908 57.525 58.200 0.389 0.000 0.820 450 S CB 2.375 65.819 63.200 0.406 0.000 1.137 450 S HN 0.902 nan 8.310 nan 0.000 0.470 451 K N 0.939 121.657 120.400 0.530 0.000 2.606 451 K HA 0.547 5.331 4.320 0.773 0.000 0.259 451 K C -0.011 176.744 176.600 0.258 0.000 1.001 451 K CA 0.085 56.603 56.287 0.384 0.000 0.881 451 K CB 1.085 33.737 32.500 0.253 0.000 1.288 451 K HN 0.921 nan 8.250 nan 0.000 0.452 452 S N 1.720 117.545 115.700 0.209 0.000 4.050 452 S HA -0.285 4.649 4.470 0.773 0.000 0.602 452 S C 0.380 175.039 174.600 0.097 0.000 2.030 452 S CA 1.797 60.031 58.200 0.056 0.000 4.208 452 S CB -0.949 62.208 63.200 -0.072 0.000 0.290 452 S HN 1.008 nan 8.310 nan 0.000 0.615 453 D N 1.982 122.355 120.400 -0.046 0.000 2.370 453 D HA 0.353 5.457 4.640 0.773 0.000 0.230 453 D C -0.257 176.184 176.300 0.234 0.000 1.143 453 D CA 0.114 54.189 54.000 0.125 0.000 0.834 453 D CB -0.335 40.490 40.800 0.041 0.000 0.944 453 D HN 0.349 nan 8.370 nan 0.000 0.504 454 D N 0.026 120.575 120.400 0.249 0.000 2.498 454 D HA 0.680 5.784 4.640 0.773 0.000 0.247 454 D C -1.187 175.349 176.300 0.393 0.000 1.070 454 D CA -0.720 53.442 54.000 0.270 0.000 0.842 454 D CB 1.916 42.806 40.800 0.150 0.000 1.361 454 D HN 0.160 nan 8.370 nan 0.000 0.484 455 A N 2.661 125.631 122.820 0.251 0.000 2.567 455 A HA 0.650 5.434 4.320 0.773 0.000 0.291 455 A C -1.596 175.850 177.584 -0.231 0.000 1.048 455 A CA -0.706 51.284 52.037 -0.078 0.000 0.661 455 A CB 1.158 19.918 19.000 -0.399 0.000 1.288 455 A HN 0.474 nan 8.150 nan 0.000 0.424 456 M N 1.618 120.985 119.600 -0.387 0.000 2.267 456 M HA 0.449 5.393 4.480 0.773 0.000 0.289 456 M C -1.448 174.805 176.300 -0.078 0.000 1.043 456 M CA -0.199 55.018 55.300 -0.139 0.000 0.928 456 M CB 1.807 34.364 32.600 -0.072 0.000 1.613 456 M HN 0.573 nan 8.290 nan 0.000 0.450 457 L N 2.268 123.425 121.223 -0.109 0.000 2.295 457 L HA 0.863 5.667 4.340 0.773 0.000 0.285 457 L C 0.426 176.929 176.870 -0.611 0.000 1.035 457 L CA -0.715 53.906 54.840 -0.365 0.000 0.806 457 L CB 1.511 43.415 42.059 -0.259 0.000 1.214 457 L HN 0.797 nan 8.230 nan 0.000 0.426 458 G N 1.831 109.771 108.800 -1.432 0.000 2.498 458 G HA2 0.614 5.038 3.960 0.773 0.000 0.312 458 G HA3 0.614 5.038 3.960 0.773 0.000 0.312 458 G C -1.873 172.246 174.900 -1.300 0.000 1.230 458 G CA -0.356 43.762 45.100 -1.638 0.000 0.968 458 G HN 0.483 nan 8.290 nan 0.000 0.481 459 W N 1.588 122.585 121.300 -0.505 0.000 2.781 459 W HA 0.357 5.083 4.660 0.110 0.000 0.333 459 W C 0.511 176.952 176.519 -0.131 0.000 1.047 459 W CA -0.619 56.578 57.345 -0.246 0.000 1.236 459 W CB 2.238 31.613 29.460 -0.142 0.000 1.394 459 W HN 0.833 nan 8.180 nan 0.000 0.466 460 T N -0.264 114.335 114.554 0.076 0.000 2.914 460 T HA 0.366 5.180 4.350 0.773 0.000 0.313 460 T C 0.458 175.257 174.700 0.166 0.000 1.137 460 T CA -0.592 61.587 62.100 0.133 0.000 0.946 460 T CB 1.051 69.978 68.868 0.099 0.000 1.558 460 T HN 0.025 nan 8.240 nan 0.000 0.565 461 K N 0.848 121.331 120.400 0.139 0.000 2.270 461 K HA 0.622 5.406 4.320 0.773 0.000 0.276 461 K C 0.576 177.244 176.600 0.114 0.000 1.023 461 K CA 0.414 56.774 56.287 0.123 0.000 0.955 461 K CB 0.632 33.190 32.500 0.096 0.000 0.975 461 K HN 1.095 nan 8.250 nan 0.000 0.471 462 G N 0.989 109.852 108.800 0.106 0.000 2.362 462 G HA2 -0.051 4.373 3.960 0.773 0.000 0.288 462 G HA3 -0.051 4.373 3.960 0.773 0.000 0.288 462 G C 0.267 175.211 174.900 0.072 0.000 1.305 462 G CA -0.815 44.338 45.100 0.087 0.000 0.910 462 G HN 0.479 nan 8.290 nan 0.000 0.518 463 R N -0.270 120.235 120.500 0.009 0.000 2.120 463 R HA -0.001 4.803 4.340 0.773 0.000 0.234 463 R C 2.877 179.225 176.300 0.081 0.000 1.123 463 R CA 1.931 57.983 56.100 -0.081 0.000 0.975 463 R CB -0.299 29.717 30.300 -0.472 0.000 0.866 463 R HN 0.601 nan 8.270 nan 0.000 0.446 464 A N 0.837 123.821 122.820 0.273 0.000 2.067 464 A HA -0.086 4.698 4.320 0.773 0.000 0.217 464 A C 1.955 179.687 177.584 0.247 0.000 1.156 464 A CA 0.489 52.763 52.037 0.395 0.000 0.683 464 A CB -0.245 19.086 19.000 0.551 0.000 0.808 464 A HN 0.201 nan 8.150 nan 0.000 0.455 465 L N -0.112 121.235 121.223 0.206 0.000 1.997 465 L HA -0.175 4.629 4.340 0.773 0.000 0.216 465 L C 2.416 179.288 176.870 0.003 0.000 1.074 465 L CA 2.342 57.233 54.840 0.084 0.000 0.763 465 L CB -0.735 41.417 42.059 0.156 0.000 0.890 465 L HN 0.208 nan 8.230 nan 0.000 0.434 466 V N -0.172 119.780 119.914 0.063 0.000 2.392 466 V HA -0.219 4.365 4.120 0.773 0.000 0.249 466 V C 2.369 178.465 176.094 0.002 0.000 1.059 466 V CA 2.104 64.441 62.300 0.060 0.000 1.051 466 V CB -0.884 30.960 31.823 0.034 0.000 0.658 466 V HN 0.652 nan 8.190 nan 0.000 0.455 467 G N -0.884 107.900 108.800 -0.027 0.000 2.408 467 G HA2 -0.106 4.318 3.960 0.773 0.000 0.217 467 G HA3 -0.106 4.318 3.960 0.773 0.000 0.217 467 G C 1.578 176.327 174.900 -0.252 0.000 1.150 467 G CA 0.749 45.822 45.100 -0.045 0.000 0.776 467 G HN 0.683 nan 8.290 nan 0.000 0.542 468 G N 0.217 108.629 108.800 -0.647 0.000 2.446 468 G HA2 -0.242 4.182 3.960 0.773 0.000 0.217 468 G HA3 -0.242 4.182 3.960 0.773 0.000 0.217 468 G C 1.529 175.934 174.900 -0.825 0.000 1.168 468 G CA 1.248 45.460 45.100 -1.480 0.000 0.771 468 G HN 0.566 nan 8.290 nan 0.000 0.551 469 H N -0.294 118.546 119.070 -0.383 0.000 2.423 469 H HA 0.120 5.143 4.556 0.778 0.000 0.297 469 H C 2.862 178.138 175.328 -0.087 0.000 1.075 469 H CA 1.101 57.056 56.048 -0.154 0.000 1.342 469 H CB 0.103 29.798 29.762 -0.112 0.000 1.395 469 H HN 0.205 nan 8.280 nan 0.000 0.530 470 R N -0.133 120.365 120.500 -0.004 0.000 2.075 470 R HA -0.105 4.699 4.340 0.773 0.000 0.232 470 R C 2.068 178.358 176.300 -0.016 0.000 1.126 470 R CA 1.069 57.172 56.100 0.004 0.000 0.963 470 R CB -0.370 29.936 30.300 0.011 0.000 0.858 470 R HN 0.219 nan 8.270 nan 0.000 0.435 471 L N 0.476 121.653 121.223 -0.077 0.000 2.012 471 L HA -0.177 4.627 4.340 0.773 0.000 0.210 471 L C 2.017 178.910 176.870 0.038 0.000 1.073 471 L CA 1.702 56.488 54.840 -0.089 0.000 0.748 471 L CB -0.797 41.191 42.059 -0.119 0.000 0.891 471 L HN 0.039 nan 8.230 nan 0.000 0.431 472 F N 0.798 120.651 119.950 -0.162 0.000 2.126 472 F HA -0.197 4.796 4.527 0.776 0.000 0.299 472 F C 2.507 178.310 175.800 0.005 0.000 1.096 472 F CA 1.894 59.850 58.000 -0.073 0.000 1.255 472 F CB -0.633 38.288 39.000 -0.133 0.000 0.997 472 F HN 0.316 nan 8.300 nan 0.000 0.479 473 E N 0.250 120.503 120.200 0.088 0.000 2.077 473 E HA -0.254 4.560 4.350 0.773 0.000 0.193 473 E C 2.386 178.971 176.600 -0.025 0.000 0.989 473 E CA 1.706 58.108 56.400 0.002 0.000 0.800 473 E CB -0.570 29.143 29.700 0.021 0.000 0.746 473 E HN 0.507 nan 8.360 nan 0.000 0.452 474 M N -0.441 119.159 119.600 0.001 0.000 2.117 474 M HA -0.153 4.791 4.480 0.773 0.000 0.262 474 M C 1.754 178.069 176.300 0.025 0.000 1.065 474 M CA 1.451 56.747 55.300 -0.007 0.000 1.114 474 M CB -0.080 32.493 32.600 -0.045 0.000 1.361 474 M HN 0.191 nan 8.290 nan 0.000 0.408 475 L N 0.267 121.537 121.223 0.079 0.000 2.046 475 L HA -0.210 4.593 4.340 0.773 0.000 0.208 475 L C 2.654 179.607 176.870 0.137 0.000 1.077 475 L CA 1.552 56.503 54.840 0.185 0.000 0.747 475 L CB -0.764 41.492 42.059 0.328 0.000 0.896 475 L HN 0.394 nan 8.230 nan 0.000 0.432 476 K N 0.439 120.756 120.400 -0.138 0.000 2.057 476 K HA -0.206 4.578 4.320 0.773 0.000 0.207 476 K C 1.919 178.443 176.600 -0.127 0.000 1.049 476 K CA 1.509 57.565 56.287 -0.386 0.000 0.931 476 K CB 0.026 32.106 32.500 -0.699 0.000 0.714 476 K HN 0.336 nan 8.250 nan 0.000 0.440 477 E N -0.568 119.581 120.200 -0.083 0.000 2.153 477 E HA -0.100 4.713 4.350 0.773 0.000 0.194 477 E C 0.877 177.490 176.600 0.022 0.000 0.988 477 E CA 0.701 57.077 56.400 -0.039 0.000 0.811 477 E CB -0.162 29.519 29.700 -0.032 0.000 0.746 477 E HN 0.610 nan 8.360 nan 0.000 0.466 478 G N 1.760 110.600 108.800 0.067 0.000 2.356 478 G HA2 -0.336 4.088 3.960 0.773 0.000 0.296 478 G HA3 -0.336 4.088 3.960 0.773 0.000 0.296 478 G C 0.568 175.501 174.900 0.055 0.000 1.022 478 G CA 1.167 46.323 45.100 0.093 0.000 0.961 478 G HN 0.286 nan 8.290 nan 0.000 0.510 479 K N -1.627 118.796 120.400 0.038 0.000 2.370 479 K HA 0.353 5.137 4.320 0.773 0.000 0.194 479 K C 0.530 177.149 176.600 0.032 0.000 1.070 479 K CA 0.534 56.838 56.287 0.029 0.000 0.998 479 K CB 1.241 33.752 32.500 0.018 0.000 0.911 479 K HN 0.285 nan 8.250 nan 0.000 0.533 480 V N 2.258 122.194 119.914 0.036 0.000 2.531 480 V HA 0.163 4.747 4.120 0.773 0.000 0.301 480 V C -0.869 175.251 176.094 0.045 0.000 1.034 480 V CA -1.325 60.998 62.300 0.038 0.000 0.865 480 V CB 1.509 33.356 31.823 0.039 0.000 0.995 480 V HN 0.144 nan 8.190 nan 0.000 0.424 481 N N 7.047 125.774 118.700 0.045 0.000 2.438 481 N HA 0.192 5.396 4.740 0.773 0.000 0.267 481 N C -0.942 174.612 175.510 0.073 0.000 1.222 481 N CA -1.563 51.519 53.050 0.052 0.000 0.930 481 N CB 1.219 39.723 38.487 0.029 0.000 1.083 481 N HN 0.431 nan 8.380 nan 0.000 0.476 482 P HA -0.028 nan 4.420 nan 0.000 0.239 482 P C -0.400 177.061 177.300 0.267 0.000 1.184 482 P CA 0.420 63.601 63.100 0.134 0.000 0.760 482 P CB 0.369 32.059 31.700 -0.017 0.000 0.884 483 S N 0.613 116.397 115.700 0.140 0.000 2.548 483 S HA 0.516 5.450 4.470 0.773 0.000 0.286 483 S C -2.261 172.305 174.600 -0.056 0.000 1.098 483 S CA -1.698 56.548 58.200 0.078 0.000 0.930 483 S CB 1.982 65.263 63.200 0.135 0.000 1.070 483 S HN -0.177 nan 8.310 nan 0.000 0.480 484 P HA 0.135 nan 4.420 nan 0.000 0.245 484 P C 0.250 177.358 177.300 -0.320 0.000 1.203 484 P CA 0.400 63.288 63.100 -0.355 0.000 0.792 484 P CB 0.033 31.410 31.700 -0.539 0.000 0.997 485 Y N -0.751 119.619 120.300 0.118 0.000 2.343 485 Y HA 0.257 5.268 4.550 0.769 0.000 0.294 485 Y C 1.686 177.599 175.900 0.022 0.000 1.122 485 Y CA 0.531 58.713 58.100 0.137 0.000 1.173 485 Y CB -0.141 38.458 38.460 0.231 0.000 1.077 485 Y HN -0.142 nan 8.280 nan 0.000 0.542 486 M N -0.292 119.378 119.600 0.116 0.000 2.618 486 M HA 0.307 5.251 4.480 0.773 0.000 0.281 486 M C -0.930 175.321 176.300 -0.082 0.000 1.267 486 M CA -1.041 54.234 55.300 -0.041 0.000 0.845 486 M CB 1.870 34.496 32.600 0.042 0.000 1.732 486 M HN -0.274 nan 8.290 nan 0.000 0.461 487 K N 2.287 122.561 120.400 -0.209 0.000 2.292 487 K HA 0.461 5.245 4.320 0.773 0.000 0.290 487 K C -0.572 176.042 176.600 0.024 0.000 1.083 487 K CA -0.143 56.075 56.287 -0.116 0.000 0.918 487 K CB 0.033 32.419 32.500 -0.189 0.000 1.089 487 K HN 0.457 nan 8.250 nan 0.000 0.473 488 I N 1.935 122.555 120.570 0.084 0.000 2.460 488 I HA 0.272 4.906 4.170 0.773 0.000 0.298 488 I C 0.874 177.082 176.117 0.152 0.000 0.989 488 I CA -0.381 61.015 61.300 0.161 0.000 1.173 488 I CB 1.361 39.495 38.000 0.223 0.000 1.338 488 I HN 0.567 nan 8.210 nan 0.000 0.456 489 S N 4.954 120.755 115.700 0.168 0.000 2.840 489 S HA 0.679 5.613 4.470 0.773 0.000 0.307 489 S C -0.992 173.745 174.600 0.228 0.000 1.180 489 S CA -0.780 57.520 58.200 0.167 0.000 0.846 489 S CB 1.760 64.994 63.200 0.058 0.000 1.233 489 S HN 0.470 nan 8.310 nan 0.000 0.548 490 Y N 0.090 120.501 120.300 0.184 0.000 2.387 490 Y HA 0.735 5.748 4.550 0.773 0.000 0.330 490 Y C -0.015 176.012 175.900 0.212 0.000 1.133 490 Y CA -1.012 57.223 58.100 0.225 0.000 1.152 490 Y CB 0.626 39.274 38.460 0.314 0.000 1.215 490 Y HN 0.892 nan 8.280 nan 0.000 0.466 491 E N 1.850 122.151 120.200 0.168 0.000 2.316 491 E HA 0.019 4.833 4.350 0.773 0.000 0.275 491 E C -1.213 175.471 176.600 0.139 0.000 1.029 491 E CA -0.515 55.941 56.400 0.094 0.000 0.871 491 E CB 0.289 30.085 29.700 0.160 0.000 1.022 491 E HN 0.823 nan 8.360 nan 0.000 0.418 492 H N 3.552 122.592 119.070 -0.050 0.000 3.067 492 H HA 0.302 5.322 4.556 0.773 0.000 0.265 492 H C 0.055 175.452 175.328 0.114 0.000 1.234 492 H CA 1.149 57.231 56.048 0.058 0.000 1.452 492 H CB 0.145 29.900 29.762 -0.012 0.000 1.527 492 H HN 0.730 nan 8.280 nan 0.000 0.486 493 G N 3.618 112.400 108.800 -0.030 0.000 2.970 493 G HA2 -0.124 4.300 3.960 0.773 0.000 0.249 493 G HA3 -0.124 4.300 3.960 0.773 0.000 0.249 493 G C 0.497 175.467 174.900 0.117 0.000 1.113 493 G CA -0.390 44.715 45.100 0.009 0.000 1.119 493 G HN 0.965 nan 8.290 nan 0.000 0.552 494 G N -0.157 108.759 108.800 0.193 0.000 2.178 494 G HA2 0.622 5.046 3.960 0.773 0.000 0.244 494 G HA3 0.622 5.046 3.960 0.773 0.000 0.244 494 G C 0.541 175.565 174.900 0.207 0.000 1.213 494 G CA 0.994 46.230 45.100 0.227 0.000 0.912 494 G HN 2.014 nan 8.290 nan 0.000 0.474 495 A N 2.067 125.021 122.820 0.223 0.000 2.587 495 A HA 0.783 5.567 4.320 0.773 0.000 0.293 495 A C -1.617 176.159 177.584 0.320 0.000 1.087 495 A CA -0.683 51.507 52.037 0.255 0.000 0.692 495 A CB 1.861 20.957 19.000 0.160 0.000 1.291 495 A HN 1.191 nan 8.150 nan 0.000 0.407 496 F N 1.958 121.965 119.950 0.094 0.000 2.579 496 F HA 0.564 5.561 4.527 0.784 0.000 0.325 496 F C -0.269 175.432 175.800 -0.165 0.000 1.162 496 F CA -1.095 56.872 58.000 -0.056 0.000 0.946 496 F CB 1.260 40.185 39.000 -0.125 0.000 1.211 496 F HN 0.432 nan 8.300 nan 0.000 0.447 497 L N 6.081 126.905 121.223 -0.665 0.000 3.660 497 L HA -0.125 4.679 4.340 0.773 0.000 0.440 497 L C 1.180 177.840 176.870 -0.351 0.000 1.262 497 L CA 1.478 55.950 54.840 -0.614 0.000 0.837 497 L CB -1.619 39.868 42.059 -0.953 0.000 1.689 497 L HN 1.245 nan 8.230 nan 0.000 0.890 498 G N -2.123 106.572 108.800 -0.176 0.000 2.268 498 G HA2 -0.247 4.177 3.960 0.773 0.000 0.240 498 G HA3 -0.247 4.177 3.960 0.773 0.000 0.240 498 G C 0.209 175.090 174.900 -0.032 0.000 1.010 498 G CA 0.233 45.282 45.100 -0.085 0.000 0.618 498 G HN 0.478 nan 8.290 nan 0.000 0.516 499 D N 1.016 121.384 120.400 -0.054 0.000 2.232 499 D HA 0.522 5.626 4.640 0.773 0.000 0.242 499 D C 0.690 177.147 176.300 0.263 0.000 1.093 499 D CA -0.268 53.772 54.000 0.067 0.000 0.845 499 D CB 1.383 42.165 40.800 -0.030 0.000 1.124 499 D HN 0.335 nan 8.370 nan 0.000 0.467 500 I N 1.977 122.681 120.570 0.224 0.000 2.529 500 I HA -0.016 4.618 4.170 0.773 0.000 0.284 500 I C 0.286 176.494 176.117 0.150 0.000 1.082 500 I CA -0.639 60.776 61.300 0.191 0.000 1.406 500 I CB 0.921 38.986 38.000 0.109 0.000 1.405 500 I HN 0.091 nan 8.210 nan 0.000 0.548 501 L N 8.266 129.484 121.223 -0.008 0.000 2.282 501 L HA 0.288 5.092 4.340 0.773 0.000 0.287 501 L C -0.576 176.112 176.870 -0.303 0.000 1.075 501 L CA -0.214 54.340 54.840 -0.477 0.000 0.839 501 L CB 0.575 42.260 42.059 -0.624 0.000 1.219 501 L HN 0.413 nan 8.230 nan 0.000 0.434 502 L N 6.070 127.139 121.223 -0.257 0.000 2.315 502 L HA 0.367 5.171 4.340 0.773 0.000 0.283 502 L C -0.977 175.805 176.870 -0.148 0.000 1.089 502 L CA 0.337 55.123 54.840 -0.091 0.000 0.833 502 L CB 0.139 42.178 42.059 -0.034 0.000 1.170 502 L HN 0.464 nan 8.230 nan 0.000 0.442 503 Y N 2.893 123.211 120.300 0.030 0.000 2.376 503 Y HA 0.391 5.402 4.550 0.768 0.000 0.325 503 Y C 0.411 176.357 175.900 0.076 0.000 1.199 503 Y CA -0.538 57.585 58.100 0.038 0.000 1.206 503 Y CB 1.128 39.627 38.460 0.065 0.000 1.229 503 Y HN 0.761 nan 8.280 nan 0.000 0.480 504 D N -1.479 119.052 120.400 0.218 0.000 2.560 504 D HA 0.127 5.231 4.640 0.773 0.000 0.277 504 D C 1.157 177.524 176.300 0.111 0.000 1.194 504 D CA -0.058 54.031 54.000 0.147 0.000 1.092 504 D CB -0.182 40.672 40.800 0.090 0.000 1.169 504 D HN 0.397 nan 8.370 nan 0.000 0.607 505 S N -0.960 114.775 115.700 0.058 0.000 2.419 505 S HA -0.214 4.720 4.470 0.773 0.000 0.235 505 S C 1.694 176.294 174.600 0.000 0.000 1.019 505 S CA 0.727 58.931 58.200 0.005 0.000 0.982 505 S CB -0.550 62.651 63.200 0.003 0.000 0.789 505 S HN 0.453 nan 8.310 nan 0.000 0.490 506 R N 0.547 121.067 120.500 0.033 0.000 2.235 506 R HA 0.189 4.993 4.340 0.773 0.000 0.213 506 R C 0.116 176.436 176.300 0.033 0.000 1.059 506 R CA 0.321 56.440 56.100 0.030 0.000 0.997 506 R CB -0.159 30.170 30.300 0.048 0.000 0.884 506 R HN 0.202 nan 8.270 nan 0.000 0.462 507 R N 1.459 122.001 120.500 0.069 0.000 3.333 507 R HA -0.162 4.642 4.340 0.773 0.000 0.256 507 R C -1.144 175.204 176.300 0.080 0.000 1.010 507 R CA 0.978 57.081 56.100 0.006 0.000 0.680 507 R CB -2.176 28.027 30.300 -0.162 0.000 1.102 507 R HN 0.535 nan 8.270 nan 0.000 0.440 508 E N -0.807 119.569 120.200 0.294 0.000 2.317 508 E HA 0.264 5.078 4.350 0.773 0.000 0.270 508 E C -1.993 174.803 176.600 0.328 0.000 0.885 508 E CA -2.259 54.309 56.400 0.279 0.000 0.760 508 E CB 1.784 31.578 29.700 0.157 0.000 1.227 508 E HN -0.231 nan 8.360 nan 0.000 0.434 509 P HA -0.167 nan 4.420 nan 0.000 0.216 509 P C 1.323 178.611 177.300 -0.020 0.000 1.150 509 P CA 1.331 64.479 63.100 0.079 0.000 0.837 509 P CB 0.148 31.949 31.700 0.169 0.000 0.786 510 G N -0.199 108.631 108.800 0.051 0.000 2.442 510 G HA2 -0.221 4.202 3.960 0.773 0.000 0.219 510 G HA3 -0.221 4.202 3.960 0.773 0.000 0.219 510 G C 1.263 176.157 174.900 -0.009 0.000 1.141 510 G CA 1.212 46.324 45.100 0.021 0.000 0.763 510 G HN 0.452 nan 8.290 nan 0.000 0.554 511 S N -0.671 115.033 115.700 0.007 0.000 2.561 511 S HA 0.738 5.672 4.470 0.773 0.000 0.245 511 S C 0.462 175.034 174.600 -0.048 0.000 1.001 511 S CA 0.142 58.339 58.200 -0.005 0.000 1.002 511 S CB 0.549 63.767 63.200 0.031 0.000 0.805 511 S HN 0.552 nan 8.310 nan 0.000 0.458 512 A N 1.868 124.597 122.820 -0.151 0.000 2.311 512 A HA 0.905 5.689 4.320 0.773 0.000 0.334 512 A C -0.209 177.179 177.584 -0.328 0.000 1.139 512 A CA -1.137 50.710 52.037 -0.316 0.000 0.830 512 A CB 0.803 19.361 19.000 -0.737 0.000 1.234 512 A HN 0.933 nan 8.150 nan 0.000 0.483 513 I N -2.660 117.710 120.570 -0.334 0.000 2.769 513 I HA 0.667 5.301 4.170 0.773 0.000 0.298 513 I C -1.423 174.515 176.117 -0.298 0.000 1.128 513 I CA -0.812 60.335 61.300 -0.255 0.000 1.031 513 I CB 2.006 39.941 38.000 -0.107 0.000 1.235 513 I HN 0.482 nan 8.210 nan 0.000 0.423 514 F N 4.352 124.231 119.950 -0.118 0.000 2.410 514 F HA 0.573 5.562 4.527 0.770 0.000 0.348 514 F C 0.411 176.170 175.800 -0.068 0.000 1.106 514 F CA -0.387 57.558 58.000 -0.091 0.000 1.163 514 F CB 1.821 40.768 39.000 -0.087 0.000 1.129 514 F HN 0.416 nan 8.300 nan 0.000 0.516 515 V N 1.081 121.088 119.914 0.155 0.000 2.962 515 V HA 0.876 5.460 4.120 0.773 0.000 0.313 515 V C 0.130 176.277 176.094 0.088 0.000 1.099 515 V CA -1.036 61.312 62.300 0.081 0.000 0.971 515 V CB 1.025 32.879 31.823 0.053 0.000 1.028 515 V HN 0.831 nan 8.190 nan 0.000 0.430 516 G N 1.287 110.112 108.800 0.041 0.000 2.664 516 G HA2 0.174 4.598 3.960 0.773 0.000 0.242 516 G HA3 0.174 4.598 3.960 0.773 0.000 0.242 516 G C -0.080 174.932 174.900 0.187 0.000 1.225 516 G CA -0.201 44.927 45.100 0.046 0.000 0.849 516 G HN 1.007 nan 8.290 nan 0.000 0.581 517 N N 0.589 119.438 118.700 0.247 0.000 2.462 517 N HA 0.081 5.285 4.740 0.773 0.000 0.242 517 N C 1.150 176.842 175.510 0.303 0.000 1.010 517 N CA -0.752 52.431 53.050 0.223 0.000 0.939 517 N CB 1.126 39.706 38.487 0.156 0.000 1.127 517 N HN 0.235 nan 8.380 nan 0.000 0.509 518 I N 4.236 124.942 120.570 0.228 0.000 2.335 518 I HA -0.175 4.459 4.170 0.773 0.000 0.251 518 I C 1.701 177.881 176.117 0.104 0.000 1.129 518 I CA 1.110 62.506 61.300 0.159 0.000 1.402 518 I CB -0.383 37.721 38.000 0.174 0.000 1.069 518 I HN 0.627 nan 8.210 nan 0.000 0.424 519 N N -0.526 118.240 118.700 0.111 0.000 2.244 519 N HA -0.139 5.065 4.740 0.773 0.000 0.183 519 N C 1.847 177.406 175.510 0.083 0.000 1.016 519 N CA 1.487 54.588 53.050 0.085 0.000 0.866 519 N CB -0.004 38.444 38.487 -0.066 0.000 0.980 519 N HN 0.302 nan 8.380 nan 0.000 0.430 520 S N -0.121 115.638 115.700 0.098 0.000 2.406 520 S HA -0.081 4.853 4.470 0.773 0.000 0.228 520 S C 1.819 176.458 174.600 0.065 0.000 1.020 520 S CA 0.671 58.947 58.200 0.127 0.000 0.965 520 S CB -0.210 63.122 63.200 0.220 0.000 0.798 520 S HN 0.439 nan 8.310 nan 0.000 0.488 521 M N 1.228 120.704 119.600 -0.206 0.000 2.086 521 M HA -0.058 4.886 4.480 0.773 0.000 0.261 521 M C 1.710 177.927 176.300 -0.138 0.000 1.067 521 M CA 1.490 56.459 55.300 -0.552 0.000 1.116 521 M CB -0.254 31.639 32.600 -1.178 0.000 1.348 521 M HN 0.264 nan 8.290 nan 0.000 0.407 522 L N 0.289 121.520 121.223 0.014 0.000 2.083 522 L HA -0.246 4.558 4.340 0.773 0.000 0.209 522 L C 2.136 179.138 176.870 0.220 0.000 1.083 522 L CA 0.948 55.917 54.840 0.215 0.000 0.752 522 L CB -1.072 41.185 42.059 0.329 0.000 0.899 522 L HN 0.377 nan 8.230 nan 0.000 0.433 523 N N 0.430 119.223 118.700 0.154 0.000 2.084 523 N HA -0.177 5.027 4.740 0.773 0.000 0.190 523 N C 1.534 177.124 175.510 0.133 0.000 1.030 523 N CA 1.465 54.602 53.050 0.145 0.000 0.849 523 N CB -0.592 37.950 38.487 0.093 0.000 1.012 523 N HN 0.460 nan 8.380 nan 0.000 0.423 524 N N 0.646 119.409 118.700 0.105 0.000 2.142 524 N HA -0.098 5.106 4.740 0.773 0.000 0.186 524 N C 1.556 177.119 175.510 0.089 0.000 1.023 524 N CA 0.733 53.851 53.050 0.113 0.000 0.852 524 N CB -0.020 38.558 38.487 0.151 0.000 0.998 524 N HN 0.398 nan 8.380 nan 0.000 0.424 525 Q N -0.619 119.160 119.800 -0.036 0.000 2.212 525 Q HA 0.034 4.838 4.340 0.773 0.000 0.199 525 Q C 0.701 176.568 176.000 -0.221 0.000 0.950 525 Q CA 0.889 56.569 55.803 -0.206 0.000 0.863 525 Q CB 0.292 28.665 28.738 -0.608 0.000 0.944 525 Q HN 0.421 nan 8.270 nan 0.000 0.465 526 F N -1.664 118.558 119.950 0.453 0.000 2.728 526 F HA 0.247 5.238 4.527 0.773 0.000 0.314 526 F C 0.626 176.717 175.800 0.485 0.000 1.094 526 F CA -0.299 58.062 58.000 0.602 0.000 1.217 526 F CB 1.255 40.595 39.000 0.566 0.000 1.056 526 F HN -0.298 nan 8.300 nan 0.000 0.577 527 S N 1.762 117.701 115.700 0.398 0.000 2.327 527 S HA 0.225 5.159 4.470 0.773 0.000 0.203 527 S C -2.512 172.177 174.600 0.149 0.000 1.326 527 S CA -1.003 57.366 58.200 0.281 0.000 1.248 527 S CB 0.199 63.534 63.200 0.225 0.000 1.199 527 S HN -0.120 nan 8.310 nan 0.000 0.422 528 P HA 0.043 nan 4.420 nan 0.000 0.269 528 P C 0.551 177.850 177.300 -0.002 0.000 1.217 528 P CA -0.016 63.113 63.100 0.048 0.000 0.783 528 P CB 0.952 32.650 31.700 -0.004 0.000 0.898 529 E N 0.597 120.764 120.200 -0.055 0.000 2.299 529 E HA -0.077 4.737 4.350 0.773 0.000 0.193 529 E C -0.352 175.979 176.600 -0.447 0.000 0.998 529 E CA 0.529 56.769 56.400 -0.267 0.000 0.851 529 E CB 0.068 29.540 29.700 -0.380 0.000 0.795 529 E HN 0.472 nan 8.360 nan 0.000 0.492 530 Y N -1.233 119.059 120.300 -0.013 0.000 2.576 530 Y HA 0.525 5.539 4.550 0.773 0.000 0.346 530 Y C 0.754 176.618 175.900 -0.061 0.000 1.018 530 Y CA -0.909 57.170 58.100 -0.034 0.000 1.050 530 Y CB 1.727 40.169 38.460 -0.030 0.000 1.280 530 Y HN -0.089 nan 8.280 nan 0.000 0.474 531 G N -0.058 108.810 108.800 0.114 0.000 2.621 531 G HA2 0.337 4.761 3.960 0.773 0.000 0.271 531 G HA3 0.337 4.761 3.960 0.773 0.000 0.271 531 G C 0.777 175.673 174.900 -0.006 0.000 1.236 531 G CA -0.167 44.938 45.100 0.009 0.000 0.958 531 G HN 0.761 nan 8.290 nan 0.000 0.512 532 V N -3.054 116.833 119.914 -0.045 0.000 3.380 532 V HA 0.089 4.673 4.120 0.773 0.000 0.268 532 V C 0.984 177.042 176.094 -0.061 0.000 1.168 532 V CA 1.190 63.459 62.300 -0.052 0.000 1.156 532 V CB -1.476 30.325 31.823 -0.035 0.000 0.785 532 V HN 0.779 nan 8.190 nan 0.000 0.487 533 Q N 1.311 121.081 119.800 -0.049 0.000 2.423 533 Q HA -0.246 4.558 4.340 0.773 0.000 0.332 533 Q C 1.455 177.421 176.000 -0.057 0.000 1.355 533 Q CA 0.610 56.380 55.803 -0.055 0.000 0.947 533 Q CB -1.729 26.962 28.738 -0.078 0.000 1.189 533 Q HN 1.022 nan 8.270 nan 0.000 0.418 534 S N -2.357 113.318 115.700 -0.043 0.000 2.500 534 S HA -0.081 4.853 4.470 0.773 0.000 0.239 534 S C 1.583 176.165 174.600 -0.030 0.000 0.989 534 S CA 0.729 58.907 58.200 -0.036 0.000 0.951 534 S CB 0.165 63.353 63.200 -0.020 0.000 0.759 534 S HN 0.630 nan 8.310 nan 0.000 0.523 535 G N 0.546 109.328 108.800 -0.030 0.000 2.880 535 G HA2 0.270 4.694 3.960 0.773 0.000 0.209 535 G HA3 0.270 4.694 3.960 0.773 0.000 0.209 535 G C 0.191 175.076 174.900 -0.026 0.000 1.157 535 G CA -0.132 44.954 45.100 -0.023 0.000 0.779 535 G HN 0.447 nan 8.290 nan 0.000 0.539 536 V N 2.673 122.565 119.914 -0.037 0.000 2.339 536 V HA 0.181 4.765 4.120 0.773 0.000 0.261 536 V C 1.278 177.355 176.094 -0.029 0.000 1.058 536 V CA -0.763 61.514 62.300 -0.038 0.000 0.897 536 V CB 0.970 32.756 31.823 -0.060 0.000 1.052 536 V HN 0.209 nan 8.190 nan 0.000 0.480 537 R N 1.983 122.479 120.500 -0.008 0.000 2.091 537 R HA -0.082 4.722 4.340 0.773 0.000 0.238 537 R C 0.892 177.226 176.300 0.055 0.000 1.136 537 R CA 0.761 56.871 56.100 0.016 0.000 0.959 537 R CB -0.300 30.010 30.300 0.017 0.000 0.856 537 R HN 0.695 nan 8.270 nan 0.000 0.437 538 D N 1.261 121.693 120.400 0.053 0.000 2.374 538 D HA 0.040 5.144 4.640 0.773 0.000 0.240 538 D C 0.738 177.069 176.300 0.050 0.000 1.229 538 D CA -0.003 54.073 54.000 0.126 0.000 0.895 538 D CB 0.490 41.343 40.800 0.088 0.000 1.046 538 D HN 0.007 nan 8.370 nan 0.000 0.498 539 R N 1.479 121.984 120.500 0.008 0.000 2.120 539 R HA -0.137 4.667 4.340 0.773 0.000 0.234 539 R C 2.167 178.222 176.300 -0.409 0.000 1.123 539 R CA 1.388 57.258 56.100 -0.382 0.000 0.975 539 R CB -0.171 29.625 30.300 -0.840 0.000 0.866 539 R HN 0.457 nan 8.270 nan 0.000 0.446 540 S N 1.028 116.592 115.700 -0.227 0.000 2.442 540 S HA -0.125 4.809 4.470 0.773 0.000 0.236 540 S C 1.636 176.190 174.600 -0.077 0.000 1.007 540 S CA 1.004 59.145 58.200 -0.098 0.000 0.965 540 S CB -0.015 63.255 63.200 0.117 0.000 0.773 540 S HN 0.279 nan 8.310 nan 0.000 0.504 541 K N 0.530 120.890 120.400 -0.067 0.000 2.400 541 K HA 0.180 4.964 4.320 0.773 0.000 0.194 541 K C 0.688 177.214 176.600 -0.122 0.000 1.033 541 K CA -0.013 56.229 56.287 -0.075 0.000 1.021 541 K CB 0.144 32.616 32.500 -0.047 0.000 0.808 541 K HN 0.393 nan 8.250 nan 0.000 0.505 542 R N 1.019 121.420 120.500 -0.164 0.000 2.679 542 R HA 0.084 4.888 4.340 0.773 0.000 0.269 542 R C 1.094 177.270 176.300 -0.206 0.000 1.076 542 R CA -0.259 55.728 56.100 -0.189 0.000 1.160 542 R CB 0.430 30.601 30.300 -0.214 0.000 1.054 542 R HN -0.132 nan 8.270 nan 0.000 0.507 543 K N 1.757 121.998 120.400 -0.265 0.000 2.211 543 K HA -0.086 4.698 4.320 0.773 0.000 0.203 543 K C 0.382 176.898 176.600 -0.139 0.000 1.050 543 K CA 1.343 57.441 56.287 -0.316 0.000 0.945 543 K CB 0.103 32.159 32.500 -0.740 0.000 0.732 543 K HN 0.421 nan 8.250 nan 0.000 0.451 544 R N 0.475 120.904 120.500 -0.119 0.000 2.494 544 R HA 0.177 4.981 4.340 0.773 0.000 0.284 544 R C -2.192 174.006 176.300 -0.170 0.000 1.525 544 R CA -1.421 54.640 56.100 -0.066 0.000 1.460 544 R CB 1.201 31.497 30.300 -0.008 0.000 1.134 544 R HN -0.124 nan 8.270 nan 0.000 0.592 545 P HA -0.144 nan 4.420 nan 0.000 0.214 545 P C -0.279 176.437 177.300 -0.974 0.000 1.163 545 P CA 1.342 64.080 63.100 -0.602 0.000 0.883 545 P CB 0.260 31.695 31.700 -0.441 0.000 0.788 546 F N -3.501 116.400 119.950 -0.083 0.000 2.710 546 F HA 0.344 5.334 4.527 0.773 0.000 0.345 546 F C -1.908 173.888 175.800 -0.005 0.000 1.362 546 F CA -2.041 55.921 58.000 -0.062 0.000 1.175 546 F CB 0.986 39.936 39.000 -0.084 0.000 1.561 546 F HN -0.088 nan 8.300 nan 0.000 0.593 547 P HA -0.183 nan 4.420 nan 0.000 0.216 547 P C 1.922 179.310 177.300 0.147 0.000 1.154 547 P CA 1.736 64.931 63.100 0.157 0.000 0.865 547 P CB 0.253 32.076 31.700 0.205 0.000 0.789 548 G N -0.548 108.300 108.800 0.080 0.000 2.470 548 G HA2 -0.195 4.229 3.960 0.773 0.000 0.220 548 G HA3 -0.195 4.229 3.960 0.773 0.000 0.220 548 G C 1.383 176.322 174.900 0.066 0.000 1.121 548 G CA 0.297 45.394 45.100 -0.004 0.000 0.766 548 G HN 0.252 nan 8.290 nan 0.000 0.553 549 L N 0.469 121.756 121.223 0.107 0.000 2.201 549 L HA -0.016 4.788 4.340 0.773 0.000 0.212 549 L C 3.250 180.192 176.870 0.122 0.000 1.105 549 L CA 0.707 55.602 54.840 0.093 0.000 0.775 549 L CB -0.383 41.716 42.059 0.067 0.000 0.913 549 L HN 0.284 nan 8.230 nan 0.000 0.440 550 A N -0.363 122.552 122.820 0.158 0.000 2.070 550 A HA -0.252 4.531 4.320 0.773 0.000 0.220 550 A C 2.149 179.864 177.584 0.219 0.000 1.159 550 A CA 0.996 53.142 52.037 0.183 0.000 0.656 550 A CB -0.859 18.270 19.000 0.214 0.000 0.800 550 A HN 0.706 nan 8.150 nan 0.000 0.453 551 W N 0.412 121.713 121.300 0.001 0.000 2.402 551 W HA -0.099 5.026 4.660 0.774 0.000 0.286 551 W C 2.028 178.553 176.519 0.010 0.000 1.221 551 W CA 1.262 58.597 57.345 -0.017 0.000 1.257 551 W CB -0.002 29.393 29.460 -0.109 0.000 1.120 551 W HN 0.433 nan 8.180 nan 0.000 0.551 552 A N 0.006 122.888 122.820 0.103 0.000 2.119 552 A HA -0.116 4.667 4.320 0.773 0.000 0.216 552 A C 1.873 179.430 177.584 -0.044 0.000 1.152 552 A CA 1.677 53.716 52.037 0.003 0.000 0.708 552 A CB -0.734 18.284 19.000 0.030 0.000 0.805 552 A HN 0.278 nan 8.150 nan 0.000 0.460 553 S N -1.613 114.078 115.700 -0.016 0.000 2.512 553 S HA 0.098 5.032 4.470 0.773 0.000 0.216 553 S C 1.745 176.337 174.600 -0.014 0.000 1.006 553 S CA 0.571 58.755 58.200 -0.027 0.000 0.915 553 S CB -0.458 62.738 63.200 -0.005 0.000 0.824 553 S HN 0.491 nan 8.310 nan 0.000 0.497 554 M N 1.929 121.534 119.600 0.008 0.000 2.088 554 M HA -0.229 4.715 4.480 0.773 0.000 0.256 554 M C 2.153 178.508 176.300 0.091 0.000 1.071 554 M CA 2.244 57.618 55.300 0.123 0.000 1.097 554 M CB -0.247 32.325 32.600 -0.046 0.000 1.315 554 M HN 0.295 nan 8.290 nan 0.000 0.406 555 K N 0.626 120.994 120.400 -0.055 0.000 2.032 555 K HA -0.225 4.559 4.320 0.773 0.000 0.209 555 K C 1.798 178.262 176.600 -0.226 0.000 1.048 555 K CA 2.284 58.463 56.287 -0.181 0.000 0.927 555 K CB -0.685 31.735 32.500 -0.133 0.000 0.712 555 K HN 0.565 nan 8.250 nan 0.000 0.441 556 D N -1.193 119.115 120.400 -0.154 0.000 2.144 556 D HA -0.118 4.986 4.640 0.773 0.000 0.199 556 D C 1.144 177.328 176.300 -0.193 0.000 0.984 556 D CA 1.530 55.436 54.000 -0.157 0.000 0.834 556 D CB 0.231 40.956 40.800 -0.125 0.000 0.955 556 D HN 0.305 nan 8.370 nan 0.000 0.465 557 T N -1.049 113.370 114.554 -0.225 0.000 2.851 557 T HA -0.093 4.721 4.350 0.773 0.000 0.262 557 T C 1.127 175.456 174.700 -0.618 0.000 1.043 557 T CA 0.922 62.762 62.100 -0.434 0.000 1.140 557 T CB -0.145 68.381 68.868 -0.570 0.000 0.872 557 T HN 0.265 nan 8.240 nan 0.000 0.446 558 Y N 0.012 120.256 120.300 -0.093 0.000 2.500 558 Y HA 0.427 5.441 4.550 0.773 0.000 0.246 558 Y C 2.337 178.002 175.900 -0.391 0.000 1.146 558 Y CA -0.727 57.320 58.100 -0.089 0.000 1.230 558 Y CB -0.156 38.386 38.460 0.137 0.000 1.214 558 Y HN 0.192 nan 8.280 nan 0.000 0.526 559 G N 0.726 109.191 108.800 -0.559 0.000 2.475 559 G HA2 -0.285 4.139 3.960 0.773 0.000 0.220 559 G HA3 -0.285 4.139 3.960 0.773 0.000 0.220 559 G C 1.728 176.396 174.900 -0.386 0.000 1.125 559 G CA 1.091 45.687 45.100 -0.839 0.000 0.755 559 G HN 0.434 nan 8.290 nan 0.000 0.565 560 A N -0.794 121.908 122.820 -0.196 0.000 2.235 560 A HA 0.213 4.997 4.320 0.773 0.000 0.208 560 A C 1.424 179.002 177.584 -0.011 0.000 1.172 560 A CA 0.426 52.414 52.037 -0.082 0.000 0.786 560 A CB -0.680 18.287 19.000 -0.056 0.000 0.804 560 A HN 0.478 nan 8.150 nan 0.000 0.479 561 C N 0.775 120.093 119.300 0.028 0.000 2.648 561 C HA 0.338 5.262 4.460 0.773 0.000 0.415 561 C C -0.599 174.450 174.990 0.098 0.000 1.366 561 C CA -1.352 57.725 59.018 0.099 0.000 1.756 561 C CB 0.238 28.089 27.740 0.185 0.000 2.549 561 C HN 0.423 nan 8.230 nan 0.000 0.597 562 P HA -0.174 nan 4.420 nan 0.000 0.216 562 P C 0.878 178.219 177.300 0.068 0.000 1.154 562 P CA 1.902 65.045 63.100 0.072 0.000 0.865 562 P CB -0.110 31.631 31.700 0.069 0.000 0.789 563 I N -5.920 114.660 120.570 0.016 0.000 3.884 563 I HA 0.172 4.806 4.170 0.773 0.000 0.330 563 I C 1.810 177.892 176.117 -0.059 0.000 1.451 563 I CA -0.389 60.842 61.300 -0.117 0.000 1.165 563 I CB -0.743 36.959 38.000 -0.496 0.000 1.097 563 I HN -0.145 nan 8.210 nan 0.000 0.404 564 Y N 1.991 122.260 120.300 -0.051 0.000 2.014 564 Y HA -0.350 4.664 4.550 0.774 0.000 0.272 564 Y C 2.669 178.560 175.900 -0.014 0.000 1.164 564 Y CA 2.459 60.551 58.100 -0.015 0.000 1.114 564 Y CB -0.224 38.251 38.460 0.025 0.000 0.961 564 Y HN 0.297 nan 8.280 nan 0.000 0.489 565 S N 0.281 116.009 115.700 0.047 0.000 2.374 565 S HA -0.267 4.667 4.470 0.773 0.000 0.227 565 S C 1.391 175.947 174.600 -0.073 0.000 1.037 565 S CA 1.841 60.012 58.200 -0.049 0.000 1.024 565 S CB -0.622 62.626 63.200 0.080 0.000 0.861 565 S HN 0.631 nan 8.310 nan 0.000 0.456 566 D N 0.456 120.832 120.400 -0.041 0.000 2.097 566 D HA -0.084 5.020 4.640 0.773 0.000 0.195 566 D C 1.931 178.203 176.300 -0.047 0.000 0.989 566 D CA 1.077 55.075 54.000 -0.002 0.000 0.827 566 D CB -0.225 40.559 40.800 -0.026 0.000 0.966 566 D HN 0.168 nan 8.370 nan 0.000 0.456 567 V N 0.631 120.445 119.914 -0.167 0.000 2.295 567 V HA -0.204 4.380 4.120 0.773 0.000 0.246 567 V C 2.392 178.451 176.094 -0.058 0.000 1.049 567 V CA 1.226 63.449 62.300 -0.129 0.000 1.024 567 V CB -0.481 31.255 31.823 -0.145 0.000 0.648 567 V HN 0.271 nan 8.190 nan 0.000 0.447 568 L N -0.404 120.733 121.223 -0.143 0.000 2.079 568 L HA -0.231 4.573 4.340 0.773 0.000 0.210 568 L C 2.570 179.471 176.870 0.051 0.000 1.081 568 L CA 1.766 56.572 54.840 -0.057 0.000 0.752 568 L CB -0.499 41.426 42.059 -0.224 0.000 0.896 568 L HN 0.419 nan 8.230 nan 0.000 0.433 569 E N -0.355 119.857 120.200 0.020 0.000 2.107 569 E HA -0.144 4.670 4.350 0.773 0.000 0.191 569 E C 2.281 178.908 176.600 0.046 0.000 0.982 569 E CA 0.905 57.336 56.400 0.053 0.000 0.809 569 E CB -0.068 29.658 29.700 0.043 0.000 0.756 569 E HN 0.476 nan 8.360 nan 0.000 0.459 570 A N 0.966 123.804 122.820 0.031 0.000 1.930 570 A HA -0.156 4.628 4.320 0.773 0.000 0.217 570 A C 2.103 179.701 177.584 0.022 0.000 1.175 570 A CA 0.939 52.946 52.037 -0.049 0.000 0.627 570 A CB -0.469 18.554 19.000 0.040 0.000 0.815 570 A HN 0.134 nan 8.150 nan 0.000 0.443 571 I N -0.858 119.777 120.570 0.109 0.000 2.142 571 I HA -0.236 4.398 4.170 0.773 0.000 0.240 571 I C 2.560 178.867 176.117 0.316 0.000 1.078 571 I CA 1.775 63.218 61.300 0.237 0.000 1.343 571 I CB -0.270 37.861 38.000 0.218 0.000 1.046 571 I HN 0.370 nan 8.210 nan 0.000 0.405 572 E N 1.210 121.567 120.200 0.262 0.000 2.058 572 E HA -0.283 4.531 4.350 0.773 0.000 0.194 572 E C 2.263 179.072 176.600 0.349 0.000 0.997 572 E CA 1.612 58.200 56.400 0.314 0.000 0.801 572 E CB -0.183 29.661 29.700 0.239 0.000 0.746 572 E HN 0.198 nan 8.360 nan 0.000 0.450 573 R N -0.615 120.013 120.500 0.213 0.000 2.073 573 R HA -0.135 4.669 4.340 0.773 0.000 0.234 573 R C 2.273 178.723 176.300 0.251 0.000 1.134 573 R CA 1.852 58.054 56.100 0.171 0.000 0.952 573 R CB -0.677 29.618 30.300 -0.007 0.000 0.850 573 R HN 0.346 nan 8.270 nan 0.000 0.433 574 C N -0.431 119.014 119.300 0.242 0.000 2.450 574 C HA -0.052 4.872 4.460 0.773 0.000 0.279 574 C C 2.305 177.636 174.990 0.568 0.000 1.335 574 C CA -0.123 59.078 59.018 0.304 0.000 1.749 574 C CB -1.277 26.542 27.740 0.132 0.000 1.963 574 C HN 0.688 nan 8.230 nan 0.000 0.501 575 W N -0.493 121.042 121.300 0.392 0.000 2.418 575 W HA -0.098 5.026 4.660 0.773 0.000 0.292 575 W C 2.212 178.858 176.519 0.212 0.000 1.213 575 W CA 0.834 58.291 57.345 0.186 0.000 1.283 575 W CB -0.610 28.810 29.460 -0.066 0.000 1.119 575 W HN 0.478 nan 8.180 nan 0.000 0.542 576 W N 1.758 123.270 121.300 0.353 0.000 2.358 576 W HA -0.220 4.903 4.660 0.773 0.000 0.303 576 W C 2.232 178.812 176.519 0.102 0.000 1.208 576 W CA 1.983 59.455 57.345 0.213 0.000 1.274 576 W CB -0.699 28.859 29.460 0.163 0.000 1.138 576 W HN -0.224 nan 8.180 nan 0.000 0.515 577 N N -0.079 118.803 118.700 0.304 0.000 2.166 577 N HA -0.158 5.046 4.740 0.773 0.000 0.186 577 N C 1.626 177.110 175.510 -0.043 0.000 1.019 577 N CA 2.033 55.171 53.050 0.147 0.000 0.856 577 N CB -1.050 37.509 38.487 0.120 0.000 0.993 577 N HN 0.203 nan 8.380 nan 0.000 0.426 578 A N -0.610 122.139 122.820 -0.119 0.000 1.903 578 A HA 0.130 4.914 4.320 0.773 0.000 0.213 578 A C 1.482 178.616 177.584 -0.750 0.000 1.185 578 A CA 0.730 52.505 52.037 -0.437 0.000 0.628 578 A CB -0.329 18.368 19.000 -0.504 0.000 0.830 578 A HN 0.218 nan 8.150 nan 0.000 0.446 579 F N -1.280 118.344 119.950 -0.542 0.000 2.717 579 F HA 0.374 5.365 4.527 0.773 0.000 0.297 579 F C 1.703 177.170 175.800 -0.556 0.000 1.113 579 F CA 0.442 58.091 58.000 -0.585 0.000 1.319 579 F CB 0.319 38.806 39.000 -0.855 0.000 1.097 579 F HN 0.320 nan 8.300 nan 0.000 0.595 580 G N 1.171 109.616 108.800 -0.592 0.000 2.221 580 G HA2 -0.211 4.213 3.960 0.773 0.000 0.265 580 G HA3 -0.211 4.213 3.960 0.773 0.000 0.265 580 G C -0.201 174.030 174.900 -1.115 0.000 1.041 580 G CA 0.170 44.588 45.100 -1.136 0.000 0.807 580 G HN 0.286 nan 8.290 nan 0.000 0.502 581 E N -0.973 118.714 120.200 -0.855 0.000 2.446 581 E HA 0.557 5.371 4.350 0.773 0.000 0.276 581 E C -0.597 176.038 176.600 0.059 0.000 0.969 581 E CA -0.488 55.743 56.400 -0.281 0.000 0.800 581 E CB 1.321 31.005 29.700 -0.027 0.000 1.341 581 E HN 0.335 nan 8.360 nan 0.000 0.460 582 S N 0.345 116.215 115.700 0.283 0.000 2.489 582 S HA 0.136 5.070 4.470 0.773 0.000 0.277 582 S C 0.575 175.254 174.600 0.132 0.000 1.230 582 S CA -0.362 58.051 58.200 0.355 0.000 1.053 582 S CB 0.117 63.479 63.200 0.270 0.000 0.955 582 S HN 0.643 nan 8.310 nan 0.000 0.488 583 Y N 5.518 125.733 120.300 -0.142 0.000 2.200 583 Y HA -0.088 4.926 4.550 0.773 0.000 0.290 583 Y C 2.479 178.113 175.900 -0.444 0.000 1.137 583 Y CA 1.869 59.555 58.100 -0.689 0.000 1.163 583 Y CB -0.129 37.838 38.460 -0.822 0.000 0.988 583 Y HN 0.805 nan 8.280 nan 0.000 0.518 584 R N 0.533 120.896 120.500 -0.229 0.000 2.080 584 R HA -0.231 4.573 4.340 0.773 0.000 0.236 584 R C 2.370 178.428 176.300 -0.403 0.000 1.137 584 R CA 1.713 57.651 56.100 -0.270 0.000 0.943 584 R CB -0.714 29.656 30.300 0.116 0.000 0.846 584 R HN 0.438 nan 8.270 nan 0.000 0.431 585 A N 0.056 122.764 122.820 -0.187 0.000 1.908 585 A HA -0.238 4.546 4.320 0.773 0.000 0.218 585 A C 2.079 179.499 177.584 -0.273 0.000 1.181 585 A CA 1.516 53.459 52.037 -0.158 0.000 0.627 585 A CB -1.044 17.942 19.000 -0.024 0.000 0.818 585 A HN 0.676 nan 8.150 nan 0.000 0.445 586 Y N 0.518 120.551 120.300 -0.445 0.000 2.151 586 Y HA -0.252 4.761 4.550 0.773 0.000 0.284 586 Y C 2.407 177.877 175.900 -0.717 0.000 1.166 586 Y CA 2.242 60.038 58.100 -0.507 0.000 1.163 586 Y CB -0.148 37.993 38.460 -0.531 0.000 0.974 586 Y HN 0.161 nan 8.280 nan 0.000 0.511 587 R N 0.726 120.506 120.500 -1.200 0.000 2.090 587 R HA -0.086 4.718 4.340 0.773 0.000 0.228 587 R C 2.122 177.765 176.300 -1.095 0.000 1.110 587 R CA 1.573 56.761 56.100 -1.521 0.000 0.973 587 R CB -0.607 28.124 30.300 -2.615 0.000 0.869 587 R HN 0.591 nan 8.270 nan 0.000 0.440 588 E N 0.428 120.145 120.200 -0.806 0.000 2.106 588 E HA -0.150 4.664 4.350 0.773 0.000 0.192 588 E C 1.311 177.727 176.600 -0.307 0.000 0.984 588 E CA 0.974 57.142 56.400 -0.387 0.000 0.806 588 E CB 0.015 29.606 29.700 -0.181 0.000 0.750 588 E HN 0.269 nan 8.360 nan 0.000 0.458 589 D N 0.536 120.723 120.400 -0.356 0.000 2.117 589 D HA -0.142 4.962 4.640 0.773 0.000 0.198 589 D C 1.891 178.014 176.300 -0.296 0.000 0.982 589 D CA 0.864 54.701 54.000 -0.270 0.000 0.828 589 D CB -0.152 40.504 40.800 -0.241 0.000 0.967 589 D HN 0.130 nan 8.370 nan 0.000 0.464 590 M N 0.448 119.769 119.600 -0.464 0.000 2.159 590 M HA -0.123 4.821 4.480 0.773 0.000 0.263 590 M C 2.139 178.296 176.300 -0.239 0.000 1.063 590 M CA 0.882 55.940 55.300 -0.403 0.000 1.110 590 M CB 0.067 32.293 32.600 -0.624 0.000 1.374 590 M HN 0.021 nan 8.290 nan 0.000 0.411 591 L N 0.111 121.190 121.223 -0.240 0.000 2.017 591 L HA -0.279 4.525 4.340 0.773 0.000 0.208 591 L C 2.249 179.080 176.870 -0.065 0.000 1.073 591 L CA 1.707 56.490 54.840 -0.096 0.000 0.745 591 L CB -0.369 41.673 42.059 -0.028 0.000 0.894 591 L HN 0.317 nan 8.230 nan 0.000 0.432 592 K N -0.558 119.791 120.400 -0.086 0.000 2.026 592 K HA -0.191 4.593 4.320 0.773 0.000 0.208 592 K C 2.141 178.716 176.600 -0.042 0.000 1.048 592 K CA 1.482 57.735 56.287 -0.056 0.000 0.929 592 K CB -0.117 32.347 32.500 -0.061 0.000 0.713 592 K HN 0.345 nan 8.250 nan 0.000 0.439 593 R N 0.797 121.264 120.500 -0.055 0.000 2.083 593 R HA -0.142 4.662 4.340 0.773 0.000 0.237 593 R C 1.846 178.161 176.300 0.025 0.000 1.137 593 R CA 1.622 57.709 56.100 -0.022 0.000 0.951 593 R CB -0.334 29.941 30.300 -0.042 0.000 0.851 593 R HN 0.221 nan 8.270 nan 0.000 0.434 594 D N -0.318 120.102 120.400 0.033 0.000 2.178 594 D HA -0.076 5.028 4.640 0.773 0.000 0.202 594 D C 1.747 178.079 176.300 0.053 0.000 0.974 594 D CA 1.208 55.286 54.000 0.130 0.000 0.841 594 D CB -0.199 40.699 40.800 0.162 0.000 0.953 594 D HN 0.154 nan 8.370 nan 0.000 0.478 595 T N 0.765 115.313 114.554 -0.010 0.000 2.777 595 T HA -0.051 4.763 4.350 0.773 0.000 0.266 595 T C 2.176 176.851 174.700 -0.041 0.000 1.040 595 T CA 0.537 62.604 62.100 -0.055 0.000 1.141 595 T CB -0.181 68.662 68.868 -0.041 0.000 0.868 595 T HN 0.128 nan 8.240 nan 0.000 0.444 596 L N 0.553 121.773 121.223 -0.005 0.000 2.093 596 L HA -0.061 4.743 4.340 0.773 0.000 0.208 596 L C 2.773 179.673 176.870 0.050 0.000 1.085 596 L CA 1.142 55.989 54.840 0.012 0.000 0.755 596 L CB -0.372 41.696 42.059 0.014 0.000 0.904 596 L HN 0.174 nan 8.230 nan 0.000 0.435 597 E N 0.354 120.616 120.200 0.104 0.000 2.152 597 E HA -0.203 4.611 4.350 0.773 0.000 0.192 597 E C 1.936 178.705 176.600 0.282 0.000 0.983 597 E CA 0.734 57.272 56.400 0.231 0.000 0.818 597 E CB -0.161 29.725 29.700 0.311 0.000 0.758 597 E HN 0.231 nan 8.360 nan 0.000 0.467 598 L N 0.595 121.799 121.223 -0.032 0.000 2.042 598 L HA -0.177 4.627 4.340 0.773 0.000 0.210 598 L C 2.146 178.991 176.870 -0.042 0.000 1.076 598 L CA 2.345 56.962 54.840 -0.373 0.000 0.749 598 L CB -0.992 40.683 42.059 -0.640 0.000 0.893 598 L HN 0.240 nan 8.230 nan 0.000 0.432 599 S N -0.759 114.930 115.700 -0.018 0.000 2.440 599 S HA -0.292 4.642 4.470 0.773 0.000 0.238 599 S C 2.170 176.788 174.600 0.030 0.000 1.010 599 S CA 1.254 59.453 58.200 -0.003 0.000 0.972 599 S CB -0.853 62.339 63.200 -0.013 0.000 0.774 599 S HN 0.642 nan 8.310 nan 0.000 0.501 600 R N -0.439 120.113 120.500 0.086 0.000 2.235 600 R HA 0.006 4.810 4.340 0.773 0.000 0.213 600 R C 0.982 177.183 176.300 -0.165 0.000 1.059 600 R CA 0.994 57.079 56.100 -0.025 0.000 0.997 600 R CB -0.141 30.145 30.300 -0.024 0.000 0.884 600 R HN 0.578 nan 8.270 nan 0.000 0.462 601 Y N -1.132 119.180 120.300 0.020 0.000 2.481 601 Y HA 0.219 5.233 4.550 0.773 0.000 0.258 601 Y C 0.188 176.082 175.900 -0.010 0.000 1.103 601 Y CA -0.180 57.941 58.100 0.035 0.000 1.287 601 Y CB 1.053 39.579 38.460 0.110 0.000 1.108 601 Y HN -0.242 nan 8.280 nan 0.000 0.529 602 V N 0.774 120.739 119.914 0.085 0.000 2.334 602 V HA 0.407 4.990 4.120 0.773 0.000 0.281 602 V C 0.950 177.042 176.094 -0.004 0.000 1.016 602 V CA -0.362 61.952 62.300 0.024 0.000 0.832 602 V CB 0.727 32.540 31.823 -0.017 0.000 0.999 602 V HN 0.305 nan 8.190 nan 0.000 0.439 603 A N 4.052 126.868 122.820 -0.007 0.000 1.892 603 A HA -0.176 4.608 4.320 0.773 0.000 0.218 603 A C 2.432 180.004 177.584 -0.020 0.000 1.188 603 A CA 2.462 54.489 52.037 -0.017 0.000 0.631 603 A CB -0.583 18.408 19.000 -0.016 0.000 0.822 603 A HN 0.926 nan 8.150 nan 0.000 0.447 604 S N 0.508 116.196 115.700 -0.021 0.000 2.521 604 S HA -0.242 4.692 4.470 0.773 0.000 0.246 604 S C 1.353 175.936 174.600 -0.028 0.000 1.059 604 S CA 1.930 60.115 58.200 -0.026 0.000 1.302 604 S CB -0.941 62.241 63.200 -0.030 0.000 1.216 604 S HN 0.743 nan 8.310 nan 0.000 0.421 605 M N 1.776 121.356 119.600 -0.034 0.000 2.248 605 M HA 0.408 5.352 4.480 0.773 0.000 0.343 605 M C 0.490 176.772 176.300 -0.029 0.000 1.243 605 M CA 0.103 55.381 55.300 -0.035 0.000 1.025 605 M CB -0.360 32.212 32.600 -0.046 0.000 1.759 605 M HN 0.452 nan 8.290 nan 0.000 0.452 606 A N 3.906 126.710 122.820 -0.027 0.000 2.454 606 A HA 0.076 4.860 4.320 0.773 0.000 0.256 606 A C 0.913 178.484 177.584 -0.022 0.000 1.132 606 A CA -0.041 51.982 52.037 -0.023 0.000 0.810 606 A CB 0.026 19.013 19.000 -0.021 0.000 1.083 606 A HN 0.966 nan 8.150 nan 0.000 0.516 607 R N -0.482 120.007 120.500 -0.019 0.000 2.362 607 R HA -0.006 4.798 4.340 0.773 0.000 0.204 607 R C 0.256 176.548 176.300 -0.014 0.000 1.088 607 R CA 1.064 57.155 56.100 -0.016 0.000 1.121 607 R CB -0.202 30.088 30.300 -0.015 0.000 0.954 607 R HN 0.734 nan 8.270 nan 0.000 0.478 608 Q N -1.746 118.043 119.800 -0.017 0.000 1.472 608 Q HA 0.113 4.917 4.340 0.773 0.000 0.141 608 Q C -1.091 174.896 176.000 -0.022 0.000 0.779 608 Q CA -0.187 55.606 55.803 -0.018 0.000 0.683 608 Q CB 0.591 29.320 28.738 -0.014 0.000 1.193 608 Q HN 0.315 nan 8.270 nan 0.000 0.335 609 A N 0.259 123.063 122.820 -0.026 0.000 2.466 609 A HA 0.593 5.377 4.320 0.773 0.000 0.238 609 A C 0.965 178.529 177.584 -0.035 0.000 1.074 609 A CA 0.796 52.815 52.037 -0.029 0.000 0.774 609 A CB 0.200 19.181 19.000 -0.031 0.000 1.015 609 A HN 0.341 nan 8.150 nan 0.000 0.498 610 G N -0.699 108.081 108.800 -0.033 0.000 2.467 610 G HA2 0.340 4.764 3.960 0.773 0.000 0.243 610 G HA3 0.340 4.764 3.960 0.773 0.000 0.243 610 G C 0.554 175.425 174.900 -0.049 0.000 1.521 610 G CA -0.108 44.970 45.100 -0.037 0.000 1.055 610 G HN 0.691 nan 8.290 nan 0.000 0.553 611 L N 0.695 121.889 121.223 -0.048 0.000 2.693 611 L HA 0.212 5.016 4.340 0.773 0.000 0.235 611 L C 2.880 179.717 176.870 -0.056 0.000 1.127 611 L CA 0.448 55.252 54.840 -0.059 0.000 0.914 611 L CB -0.027 41.999 42.059 -0.056 0.000 1.193 611 L HN 0.577 nan 8.230 nan 0.000 0.502 612 A N 1.726 124.518 122.820 -0.047 0.000 1.923 612 A HA -0.289 4.495 4.320 0.773 0.000 0.222 612 A C 2.197 179.751 177.584 -0.051 0.000 1.258 612 A CA 2.548 54.559 52.037 -0.044 0.000 0.670 612 A CB -0.389 18.588 19.000 -0.038 0.000 0.834 612 A HN 0.590 nan 8.150 nan 0.000 0.470 613 E N 0.243 120.410 120.200 -0.054 0.000 2.435 613 E HA 0.072 4.886 4.350 0.773 0.000 0.195 613 E C 0.550 177.108 176.600 -0.069 0.000 1.029 613 E CA 0.041 56.406 56.400 -0.057 0.000 0.865 613 E CB -0.700 28.969 29.700 -0.053 0.000 0.833 613 E HN 0.634 nan 8.360 nan 0.000 0.510 614 L N 2.375 123.553 121.223 -0.075 0.000 2.417 614 L HA 0.198 5.002 4.340 0.773 0.000 0.268 614 L C 0.914 177.725 176.870 -0.099 0.000 1.158 614 L CA -0.256 54.530 54.840 -0.090 0.000 0.819 614 L CB 0.909 42.912 42.059 -0.094 0.000 1.112 614 L HN 0.005 nan 8.230 nan 0.000 0.458 615 T N -1.331 113.149 114.554 -0.123 0.000 2.912 615 T HA 0.335 5.149 4.350 0.773 0.000 0.280 615 T C -1.983 172.620 174.700 -0.162 0.000 0.989 615 T CA -1.916 60.097 62.100 -0.144 0.000 0.995 615 T CB 1.691 70.453 68.868 -0.177 0.000 1.077 615 T HN 0.290 nan 8.240 nan 0.000 0.531 616 P HA -0.038 nan 4.420 nan 0.000 0.216 616 P C 1.633 178.794 177.300 -0.232 0.000 1.153 616 P CA 1.051 64.055 63.100 -0.159 0.000 0.858 616 P CB -0.118 31.491 31.700 -0.151 0.000 0.789 617 I N -0.532 119.798 120.570 -0.400 0.000 2.226 617 I HA -0.251 4.383 4.170 0.773 0.000 0.245 617 I C 1.875 177.714 176.117 -0.464 0.000 1.100 617 I CA 1.544 62.399 61.300 -0.742 0.000 1.374 617 I CB -0.816 36.559 38.000 -1.042 0.000 1.057 617 I HN -0.043 nan 8.210 nan 0.000 0.413 618 D N 1.055 121.275 120.400 -0.301 0.000 2.116 618 D HA -0.176 4.928 4.640 0.773 0.000 0.193 618 D C 2.335 178.567 176.300 -0.114 0.000 0.998 618 D CA 1.410 55.303 54.000 -0.179 0.000 0.836 618 D CB -0.294 40.420 40.800 -0.143 0.000 0.951 618 D HN 0.319 nan 8.370 nan 0.000 0.449 619 L N 0.821 121.983 121.223 -0.101 0.000 2.056 619 L HA -0.112 4.692 4.340 0.773 0.000 0.207 619 L C 2.412 179.298 176.870 0.026 0.000 1.078 619 L CA 0.887 55.706 54.840 -0.035 0.000 0.749 619 L CB -0.369 41.673 42.059 -0.028 0.000 0.901 619 L HN -0.066 nan 8.230 nan 0.000 0.433 620 E N 0.091 120.309 120.200 0.031 0.000 2.110 620 E HA -0.160 4.654 4.350 0.773 0.000 0.193 620 E C 2.352 179.060 176.600 0.179 0.000 0.988 620 E CA 1.117 57.609 56.400 0.152 0.000 0.804 620 E CB -0.220 29.648 29.700 0.280 0.000 0.745 620 E HN 0.320 nan 8.360 nan 0.000 0.458 621 V N 1.282 121.268 119.914 0.120 0.000 2.548 621 V HA -0.164 4.420 4.120 0.773 0.000 0.249 621 V C 2.410 178.560 176.094 0.095 0.000 1.055 621 V CA 0.947 63.322 62.300 0.125 0.000 1.065 621 V CB -0.343 31.523 31.823 0.072 0.000 0.681 621 V HN 0.178 nan 8.190 nan 0.000 0.462 622 L N -0.027 121.246 121.223 0.083 0.000 2.156 622 L HA -0.057 4.747 4.340 0.773 0.000 0.208 622 L C 2.526 179.508 176.870 0.187 0.000 1.095 622 L CA 1.328 56.254 54.840 0.143 0.000 0.770 622 L CB -0.504 41.615 42.059 0.101 0.000 0.914 622 L HN 0.356 nan 8.230 nan 0.000 0.439 623 A N -1.471 121.441 122.820 0.152 0.000 2.072 623 A HA -0.084 4.700 4.320 0.773 0.000 0.216 623 A C 0.549 178.207 177.584 0.123 0.000 1.156 623 A CA 0.938 53.063 52.037 0.147 0.000 0.701 623 A CB 0.043 19.140 19.000 0.160 0.000 0.816 623 A HN 0.334 nan 8.150 nan 0.000 0.458 624 D N -2.207 118.269 120.400 0.127 0.000 2.527 624 D HA 0.295 5.399 4.640 0.773 0.000 0.242 624 D C -2.502 173.863 176.300 0.109 0.000 1.285 624 D CA -1.413 52.663 54.000 0.126 0.000 0.886 624 D CB 0.957 41.852 40.800 0.159 0.000 1.402 624 D HN -0.114 nan 8.370 nan 0.000 0.528 625 P HA -0.102 nan 4.420 nan 0.000 0.220 625 P C 1.062 178.399 177.300 0.061 0.000 1.144 625 P CA 0.873 64.005 63.100 0.054 0.000 0.800 625 P CB 0.277 31.985 31.700 0.013 0.000 0.772 626 N N -0.608 118.150 118.700 0.096 0.000 2.205 626 N HA -0.147 5.057 4.740 0.773 0.000 0.186 626 N C 1.418 176.938 175.510 0.016 0.000 1.015 626 N CA 1.033 54.170 53.050 0.145 0.000 0.862 626 N CB -0.273 38.372 38.487 0.264 0.000 0.986 626 N HN 0.082 nan 8.380 nan 0.000 0.429 627 K N -0.433 119.883 120.400 -0.141 0.000 2.280 627 K HA -0.084 4.699 4.320 0.773 0.000 0.202 627 K C 1.009 177.358 176.600 -0.418 0.000 1.047 627 K CA 0.457 56.361 56.287 -0.638 0.000 0.942 627 K CB -0.010 32.298 32.500 -0.320 0.000 0.739 627 K HN 0.161 nan 8.250 nan 0.000 0.457 628 L N 0.570 121.751 121.223 -0.069 0.000 2.599 628 L HA -0.026 4.778 4.340 0.773 0.000 0.230 628 L C 1.467 178.347 176.870 0.017 0.000 1.141 628 L CA 1.280 56.152 54.840 0.053 0.000 0.877 628 L CB 0.109 42.231 42.059 0.105 0.000 1.009 628 L HN -0.009 nan 8.230 nan 0.000 0.447 629 Q N -1.922 117.858 119.800 -0.034 0.000 2.217 629 Q HA 0.077 4.881 4.340 0.773 0.000 0.217 629 Q C 0.244 176.319 176.000 0.125 0.000 0.844 629 Q CA 0.477 56.322 55.803 0.071 0.000 0.957 629 Q CB 0.385 29.204 28.738 0.135 0.000 1.127 629 Q HN 0.637 nan 8.270 nan 0.000 0.503 630 Y N -4.500 115.777 120.300 -0.038 0.000 2.730 630 Y HA 0.460 5.474 4.550 0.772 0.000 0.298 630 Y C 1.032 176.819 175.900 -0.188 0.000 0.948 630 Y CA -0.256 57.793 58.100 -0.085 0.000 1.127 630 Y CB -0.041 38.367 38.460 -0.086 0.000 1.437 630 Y HN -0.092 nan 8.280 nan 0.000 0.589 631 K N -0.367 119.616 120.400 -0.695 0.000 2.309 631 K HA 0.209 4.993 4.320 0.773 0.000 0.210 631 K C -0.141 176.045 176.600 -0.690 0.000 1.114 631 K CA 0.260 56.040 56.287 -0.845 0.000 0.912 631 K CB 0.588 32.191 32.500 -1.495 0.000 1.198 631 K HN 0.134 nan 8.250 nan 0.000 0.471 632 W N 0.435 121.595 121.300 -0.234 0.000 2.804 632 W HA 0.402 5.525 4.660 0.773 0.000 0.352 632 W C -0.002 176.446 176.519 -0.119 0.000 1.153 632 W CA -0.701 56.542 57.345 -0.169 0.000 1.119 632 W CB 0.724 30.094 29.460 -0.151 0.000 1.448 632 W HN -0.110 nan 8.180 nan 0.000 0.600 633 T N -0.461 114.186 114.554 0.154 0.000 2.930 633 T HA 0.122 4.936 4.350 0.773 0.000 0.290 633 T C 0.973 175.710 174.700 0.061 0.000 1.052 633 T CA -0.349 61.796 62.100 0.075 0.000 1.017 633 T CB 1.565 70.405 68.868 -0.046 0.000 1.137 633 T HN 0.542 nan 8.240 nan 0.000 0.511 634 E N 1.743 121.971 120.200 0.047 0.000 2.169 634 E HA -0.240 4.574 4.350 0.773 0.000 0.202 634 E C 1.802 178.273 176.600 -0.214 0.000 1.016 634 E CA 1.968 58.284 56.400 -0.140 0.000 0.817 634 E CB -0.414 29.089 29.700 -0.329 0.000 0.736 634 E HN 0.674 nan 8.360 nan 0.000 0.462 635 A N 0.637 123.375 122.820 -0.137 0.000 2.172 635 A HA -0.137 4.646 4.320 0.773 0.000 0.216 635 A C 1.431 178.958 177.584 -0.095 0.000 1.154 635 A CA 1.391 53.350 52.037 -0.130 0.000 0.701 635 A CB -0.123 18.800 19.000 -0.128 0.000 0.789 635 A HN 0.339 nan 8.150 nan 0.000 0.465 636 D N -0.626 119.728 120.400 -0.076 0.000 2.349 636 D HA 0.117 5.221 4.640 0.773 0.000 0.215 636 D C 0.052 176.229 176.300 -0.206 0.000 1.016 636 D CA 0.429 54.350 54.000 -0.131 0.000 0.870 636 D CB 0.338 41.039 40.800 -0.165 0.000 0.917 636 D HN 0.201 nan 8.370 nan 0.000 0.524 637 V N 1.258 121.092 119.914 -0.134 0.000 2.435 637 V HA 0.153 4.737 4.120 0.773 0.000 0.290 637 V C 0.553 176.601 176.094 -0.077 0.000 1.030 637 V CA -0.893 61.343 62.300 -0.107 0.000 0.881 637 V CB 1.851 33.687 31.823 0.021 0.000 0.983 637 V HN -0.072 nan 8.190 nan 0.000 0.445 638 S N 3.127 118.776 115.700 -0.085 0.000 2.573 638 S HA 0.077 5.011 4.470 0.773 0.000 0.297 638 S C 1.538 176.124 174.600 -0.023 0.000 1.280 638 S CA 0.242 58.403 58.200 -0.064 0.000 1.061 638 S CB 0.893 64.052 63.200 -0.068 0.000 0.812 638 S HN 1.060 nan 8.310 nan 0.000 0.500 639 A N 3.945 126.748 122.820 -0.029 0.000 1.883 639 A HA -0.209 4.575 4.320 0.773 0.000 0.217 639 A C 2.067 179.665 177.584 0.024 0.000 1.186 639 A CA 1.764 53.799 52.037 -0.004 0.000 0.624 639 A CB -0.733 18.251 19.000 -0.027 0.000 0.822 639 A HN 0.930 nan 8.150 nan 0.000 0.444 640 N N 0.235 118.935 118.700 -0.001 0.000 2.364 640 N HA -0.123 5.081 4.740 0.773 0.000 0.183 640 N C 1.277 176.791 175.510 0.006 0.000 1.022 640 N CA 1.585 54.634 53.050 -0.002 0.000 0.883 640 N CB -0.405 38.071 38.487 -0.018 0.000 0.965 640 N HN 0.406 nan 8.380 nan 0.000 0.438 641 I N 0.884 121.458 120.570 0.006 0.000 2.480 641 I HA -0.093 4.541 4.170 0.773 0.000 0.251 641 I C 2.418 178.554 176.117 0.031 0.000 1.124 641 I CA 0.686 61.986 61.300 -0.001 0.000 1.444 641 I CB -1.428 36.554 38.000 -0.029 0.000 1.098 641 I HN 0.284 nan 8.210 nan 0.000 0.428 642 H N 1.770 120.824 119.070 -0.027 0.000 2.387 642 H HA -0.148 4.872 4.556 0.773 0.000 0.299 642 H C 1.766 177.093 175.328 -0.000 0.000 1.090 642 H CA 1.603 57.644 56.048 -0.012 0.000 1.332 642 H CB 0.397 30.148 29.762 -0.019 0.000 1.386 642 H HN 0.400 nan 8.280 nan 0.000 0.516 643 E N -0.111 120.128 120.200 0.064 0.000 2.209 643 E HA -0.117 4.697 4.350 0.773 0.000 0.196 643 E C 2.365 178.965 176.600 -0.000 0.000 0.993 643 E CA 0.862 57.270 56.400 0.013 0.000 0.819 643 E CB 0.229 29.933 29.700 0.008 0.000 0.745 643 E HN 0.271 nan 8.360 nan 0.000 0.477 644 V N 1.003 120.926 119.914 0.015 0.000 2.358 644 V HA -0.231 4.353 4.120 0.773 0.000 0.246 644 V C 2.105 178.221 176.094 0.037 0.000 1.047 644 V CA 1.450 63.789 62.300 0.065 0.000 1.035 644 V CB -0.245 31.625 31.823 0.077 0.000 0.658 644 V HN 0.275 nan 8.190 nan 0.000 0.452 645 L N -1.437 119.756 121.223 -0.050 0.000 2.416 645 L HA 0.174 4.978 4.340 0.773 0.000 0.216 645 L C 0.699 177.504 176.870 -0.109 0.000 1.098 645 L CA 0.510 55.299 54.840 -0.086 0.000 0.840 645 L CB -0.017 41.962 42.059 -0.133 0.000 0.981 645 L HN 0.280 nan 8.230 nan 0.000 0.462 646 M N -1.619 117.893 119.600 -0.147 0.000 2.658 646 M HA 0.437 5.381 4.480 0.773 0.000 0.295 646 M C -1.067 175.254 176.300 0.036 0.000 1.248 646 M CA -0.400 54.857 55.300 -0.071 0.000 0.843 646 M CB 2.115 34.624 32.600 -0.150 0.000 1.749 646 M HN -0.136 nan 8.290 nan 0.000 0.464 647 H N -0.425 118.649 119.070 0.007 0.000 2.768 647 H HA 0.757 5.777 4.556 0.773 0.000 0.371 647 H C -1.269 174.091 175.328 0.053 0.000 1.151 647 H CA -0.237 55.829 56.048 0.029 0.000 1.165 647 H CB 2.204 31.976 29.762 0.017 0.000 1.722 647 H HN 0.835 nan 8.280 nan 0.000 0.543 648 G N 1.787 110.724 108.800 0.228 0.000 2.473 648 G HA2 0.493 4.916 3.960 0.773 0.000 0.321 648 G HA3 0.493 4.916 3.960 0.773 0.000 0.321 648 G C -0.879 174.181 174.900 0.267 0.000 1.200 648 G CA -0.476 44.757 45.100 0.222 0.000 0.963 648 G HN 0.439 nan 8.290 nan 0.000 0.483 649 V N 0.819 120.833 119.914 0.168 0.000 2.743 649 V HA 0.366 4.950 4.120 0.773 0.000 0.301 649 V C 0.993 177.142 176.094 0.092 0.000 1.057 649 V CA -0.509 61.864 62.300 0.123 0.000 1.006 649 V CB 1.582 33.456 31.823 0.085 0.000 1.024 649 V HN 1.059 nan 8.190 nan 0.000 0.473 650 S N 3.063 118.809 115.700 0.076 0.000 2.573 650 S HA -0.002 4.932 4.470 0.773 0.000 0.297 650 S C 1.054 175.685 174.600 0.053 0.000 1.280 650 S CA -0.325 57.910 58.200 0.058 0.000 1.061 650 S CB 0.618 63.847 63.200 0.048 0.000 0.812 650 S HN 0.486 nan 8.310 nan 0.000 0.500 651 V N 2.744 122.685 119.914 0.044 0.000 2.515 651 V HA -0.147 4.437 4.120 0.773 0.000 0.250 651 V C 2.376 178.496 176.094 0.043 0.000 1.058 651 V CA 2.101 64.426 62.300 0.041 0.000 1.064 651 V CB -1.317 30.522 31.823 0.027 0.000 0.675 651 V HN 0.861 nan 8.190 nan 0.000 0.461 652 E N 0.641 120.864 120.200 0.038 0.000 2.110 652 E HA -0.166 4.648 4.350 0.773 0.000 0.193 652 E C 2.152 178.784 176.600 0.052 0.000 0.988 652 E CA 1.065 57.488 56.400 0.037 0.000 0.804 652 E CB -0.323 29.395 29.700 0.030 0.000 0.745 652 E HN 0.555 nan 8.360 nan 0.000 0.458 653 K N 0.028 120.462 120.400 0.057 0.000 2.103 653 K HA -0.053 4.731 4.320 0.773 0.000 0.204 653 K C 2.376 179.044 176.600 0.114 0.000 1.052 653 K CA 1.653 57.983 56.287 0.071 0.000 0.945 653 K CB -0.247 32.283 32.500 0.050 0.000 0.722 653 K HN 0.316 nan 8.250 nan 0.000 0.443 654 T N -1.070 113.547 114.554 0.105 0.000 2.942 654 T HA -0.097 4.717 4.350 0.773 0.000 0.265 654 T C 1.844 176.654 174.700 0.182 0.000 1.062 654 T CA 0.917 63.113 62.100 0.159 0.000 1.139 654 T CB 0.072 69.007 68.868 0.112 0.000 0.883 654 T HN 0.223 nan 8.240 nan 0.000 0.468 655 E N 0.995 121.259 120.200 0.107 0.000 2.051 655 E HA -0.164 4.650 4.350 0.773 0.000 0.192 655 E C 2.523 179.164 176.600 0.069 0.000 0.991 655 E CA 0.836 57.277 56.400 0.069 0.000 0.799 655 E CB -0.126 29.598 29.700 0.040 0.000 0.748 655 E HN 0.537 nan 8.360 nan 0.000 0.449 656 R N -0.462 120.090 120.500 0.087 0.000 2.096 656 R HA -0.166 4.638 4.340 0.773 0.000 0.235 656 R C 2.252 178.619 176.300 0.110 0.000 1.127 656 R CA 1.433 57.580 56.100 0.078 0.000 0.968 656 R CB -0.380 29.967 30.300 0.078 0.000 0.861 656 R HN 0.229 nan 8.270 nan 0.000 0.440 657 F N 0.788 120.763 119.950 0.042 0.000 2.102 657 F HA -0.190 4.801 4.527 0.773 0.000 0.298 657 F C 1.655 177.494 175.800 0.064 0.000 1.105 657 F CA 1.190 59.240 58.000 0.083 0.000 1.239 657 F CB -0.269 38.788 39.000 0.096 0.000 0.991 657 F HN -0.001 nan 8.300 nan 0.000 0.474 658 L N 0.888 122.096 121.223 -0.025 0.000 2.046 658 L HA -0.177 4.627 4.340 0.773 0.000 0.208 658 L C 2.593 179.306 176.870 -0.263 0.000 1.077 658 L CA 1.856 56.578 54.840 -0.196 0.000 0.747 658 L CB -1.617 40.414 42.059 -0.047 0.000 0.896 658 L HN 0.220 nan 8.230 nan 0.000 0.432 659 R N -0.149 120.263 120.500 -0.147 0.000 2.117 659 R HA -0.177 4.627 4.340 0.773 0.000 0.243 659 R C 2.374 178.580 176.300 -0.157 0.000 1.143 659 R CA 1.838 57.858 56.100 -0.133 0.000 0.968 659 R CB -0.143 30.119 30.300 -0.065 0.000 0.863 659 R HN 0.508 nan 8.270 nan 0.000 0.444 660 S N -1.098 114.516 115.700 -0.144 0.000 2.489 660 S HA 0.008 4.942 4.470 0.773 0.000 0.228 660 S C 1.742 176.263 174.600 -0.131 0.000 0.995 660 S CA 0.713 58.880 58.200 -0.054 0.000 0.934 660 S CB 0.345 63.590 63.200 0.075 0.000 0.771 660 S HN 0.162 nan 8.310 nan 0.000 0.522 661 V N 1.427 121.087 119.914 -0.422 0.000 2.436 661 V HA 0.218 4.802 4.120 0.773 0.000 0.240 661 V C 1.512 177.144 176.094 -0.770 0.000 1.040 661 V CA 0.891 62.770 62.300 -0.701 0.000 1.052 661 V CB -0.530 30.692 31.823 -1.000 0.000 0.707 661 V HN 0.440 nan 8.190 nan 0.000 0.469 662 M N 0.580 119.727 119.600 -0.756 0.000 2.207 662 M HA 0.193 5.137 4.480 0.773 0.000 0.311 662 M C -2.180 173.776 176.300 -0.572 0.000 1.127 662 M CA -1.176 53.591 55.300 -0.888 0.000 1.181 662 M CB -0.264 31.967 32.600 -0.616 0.000 1.409 662 M HN 0.022 nan 8.290 nan 0.000 0.461 663 P HA -0.037 nan 4.420 nan 0.000 0.261 663 P C -0.901 176.298 177.300 -0.169 0.000 1.183 663 P CA 0.265 63.218 63.100 -0.246 0.000 0.761 663 P CB 0.225 31.840 31.700 -0.143 0.000 0.785 664 R N 0.000 120.428 120.500 -0.119 0.000 2.786 664 R HA 0.000 4.804 4.340 0.773 0.000 0.208 664 R CA 0.000 56.051 56.100 -0.082 0.000 0.921 664 R CB 0.000 30.267 30.300 -0.055 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535