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 1gt8_1_B DATA FIRST_RESID 2 DATA SEQUENCE APVLSKDVAD IESILALNPR TQSHAALHST LAKKLDKKHW KRNPDKNCFH DATA SEQUENCE CEKLENNFDD IKHTTLGERG ALREAMRCLK CADAPCQKSC PTHLDIKSFI DATA SEQUENCE TSISNKNYYG AAKMIFSDNP LGLTCGMVCP TSDLCVGGCN LYATEEGSIN DATA SEQUENCE IGGLQQFASE VFKAMNIPQI RNPCLPSQEK MPEAYSAKIA LLGAGPASIS DATA SEQUENCE CASFLARLGY SDITIFEKQE YVGGLSTSEI PQFRLPYDVV NFEIELMKDL DATA SEQUENCE GVKIICGKSL SENEITLNTL KEEGYKAAFI GIGLPEPKTD DIFQGLTQDQ DATA SEQUENCE GFYTSKDFLP LVAKSSKAGM CACHSPLPSI RGAVIVLGAG DTAFDCATSA DATA SEQUENCE LRCGARRVFL VFRKGFVNIR AVPEEVELAK EEKCEFLPFL SPRKVIVKGG DATA SEQUENCE RIVAVQFVRT EQDETGKWNE DEDQIVHLKA DVVISAFGSV LRDPKVKEAL DATA SEQUENCE SPIKFNRWDL PEVDPETMQT SEPWVFAGGD IVGMANTTVE SVNDGKQASW DATA SEQUENCE YIHKYIQAQY GASVSAKPEL PLFYTPVDLV DISVEMAGLK FINPFGLASA DATA SEQUENCE APTTSSSMIR RAFEAGWGFA LTKTFSLDKD IVTNVSPRIV RGTTSGPMYG DATA SEQUENCE PGQSSFLNIE LISEKTAAYW CQSVTELKAD FPDNIVIASI MCSYNKNDWM DATA SEQUENCE ELSRKAEASG ADALELNLSC PHGMGXXXMG LACGQDPELV RNICRWVRQA DATA SEQUENCE VQIPFFAKLT PNVTDIVSIA RAAKEGGADG VTATNTVSGL MGLKADGTPW DATA SEQUENCE PAVGAGKRTT YGGVSGTAIR PIALRAVTTI ARALPGFPIL ATGGIDSAES DATA SEQUENCE GLQFLHSGAS VLQVCSAVQN QDFTVIQDYC TGLKALLYLK SIEELQGWDG DATA SEQUENCE QSPGTESHQK GKPVPRIAEL MGKKLPNFGP YLEQRKKIIA EEKMRLKEQX DATA SEQUENCE XXXXXLERKP FIPKKPIPAI KDVIGKALQY LGTFGELSNI EQVVAVIDEE DATA SEQUENCE MCINCGKCYM TCNDSGYQAI QFDPETHLPT VTDTCTGCTL CLSVCPIIDC DATA SEQUENCE IRMVSRTTPY EPKRGLPLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.586 177.584 0.003 0.000 1.274 2 A CA 0.000 52.038 52.037 0.002 0.000 0.836 2 A CB 0.000 19.001 19.000 0.001 0.000 0.831 3 P HA 0.253 nan 4.420 nan 0.000 0.272 3 P C -0.104 177.198 177.300 0.004 0.000 1.239 3 P CA -0.417 62.686 63.100 0.004 0.000 0.807 3 P CB 0.353 32.056 31.700 0.006 0.000 0.951 4 V N 1.986 121.902 119.914 0.005 0.000 2.381 4 V HA -0.006 4.114 4.120 -0.000 0.000 0.257 4 V C 1.717 177.814 176.094 0.004 0.000 1.057 4 V CA 0.175 62.477 62.300 0.004 0.000 1.013 4 V CB -0.283 31.542 31.823 0.004 0.000 1.069 4 V HN 0.506 nan 8.190 nan 0.000 0.484 5 L N 3.690 124.915 121.223 0.004 0.000 2.079 5 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 5 L C 2.081 178.953 176.870 0.004 0.000 1.081 5 L CA 1.685 56.528 54.840 0.005 0.000 0.752 5 L CB -0.280 41.781 42.059 0.004 0.000 0.896 5 L HN 0.835 nan 8.230 nan 0.000 0.433 6 S N -1.105 114.596 115.700 0.001 0.000 2.667 6 S HA 0.185 4.655 4.470 -0.000 0.000 0.251 6 S C 0.123 174.722 174.600 -0.002 0.000 1.075 6 S CA -0.419 57.780 58.200 -0.002 0.000 1.130 6 S CB -0.209 62.989 63.200 -0.004 0.000 0.795 6 S HN 0.244 nan 8.310 nan 0.000 0.462 7 K N 1.148 121.549 120.400 0.002 0.000 2.513 7 K HA 0.237 4.557 4.320 -0.000 0.000 0.251 7 K C -1.635 174.969 176.600 0.007 0.000 0.939 7 K CA -0.537 55.752 56.287 0.003 0.000 0.793 7 K CB 1.276 33.779 32.500 0.004 0.000 1.241 7 K HN 0.130 nan 8.250 nan 0.000 0.431 8 D N 2.983 123.388 120.400 0.007 0.000 2.424 8 D HA 0.016 4.656 4.640 -0.000 0.000 0.244 8 D C 0.646 176.956 176.300 0.017 0.000 1.134 8 D CA 0.057 54.065 54.000 0.013 0.000 0.881 8 D CB 1.123 41.931 40.800 0.013 0.000 1.191 8 D HN 0.362 nan 8.370 nan 0.000 0.445 9 V N -0.025 119.901 119.914 0.021 0.000 3.185 9 V HA 0.294 4.414 4.120 -0.000 0.000 0.305 9 V C 1.548 177.657 176.094 0.025 0.000 1.090 9 V CA -0.027 62.286 62.300 0.021 0.000 1.107 9 V CB 0.755 32.592 31.823 0.022 0.000 1.061 9 V HN 0.629 nan 8.190 nan 0.000 0.480 10 A N 0.632 123.466 122.820 0.024 0.000 1.903 10 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 10 A C 1.746 179.351 177.584 0.034 0.000 1.191 10 A CA 2.378 54.432 52.037 0.027 0.000 0.638 10 A CB -1.076 17.938 19.000 0.024 0.000 0.823 10 A HN 1.045 nan 8.150 nan 0.000 0.451 11 D N -0.203 120.217 120.400 0.035 0.000 2.104 11 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 11 D C 1.854 178.185 176.300 0.052 0.000 0.994 11 D CA 1.318 55.343 54.000 0.042 0.000 0.830 11 D CB -0.240 40.583 40.800 0.039 0.000 0.959 11 D HN 0.370 nan 8.370 nan 0.000 0.452 12 I N 0.775 121.374 120.570 0.049 0.000 2.353 12 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 12 I C 2.281 178.432 176.117 0.056 0.000 1.119 12 I CA 0.762 62.095 61.300 0.055 0.000 1.417 12 I CB -1.061 36.966 38.000 0.044 0.000 1.078 12 I HN 0.118 nan 8.210 nan 0.000 0.421 13 E N 0.493 120.720 120.200 0.046 0.000 2.153 13 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 13 E C 2.377 179.014 176.600 0.062 0.000 0.988 13 E CA 1.377 57.804 56.400 0.045 0.000 0.811 13 E CB 0.148 29.869 29.700 0.035 0.000 0.746 13 E HN 0.313 nan 8.360 nan 0.000 0.466 14 S N 0.188 115.927 115.700 0.065 0.000 2.383 14 S HA -0.089 4.381 4.470 -0.000 0.000 0.227 14 S C 1.978 176.641 174.600 0.106 0.000 1.026 14 S CA 0.654 58.899 58.200 0.075 0.000 0.981 14 S CB -0.176 63.061 63.200 0.062 0.000 0.818 14 S HN 0.385 nan 8.310 nan 0.000 0.472 15 I N 0.838 121.477 120.570 0.116 0.000 2.493 15 I HA -0.025 4.145 4.170 -0.000 0.000 0.254 15 I C 1.116 177.388 176.117 0.257 0.000 1.160 15 I CA 0.991 62.392 61.300 0.168 0.000 1.445 15 I CB 0.049 38.142 38.000 0.155 0.000 1.086 15 I HN 0.329 nan 8.210 nan 0.000 0.433 16 L N 0.199 121.528 121.223 0.176 0.000 2.612 16 L HA 0.122 4.462 4.340 -0.000 0.000 0.230 16 L C 2.422 179.401 176.870 0.181 0.000 1.140 16 L CA 0.129 55.059 54.840 0.150 0.000 0.896 16 L CB -0.442 41.639 42.059 0.037 0.000 1.065 16 L HN 0.170 nan 8.230 nan 0.000 0.447 17 A N 0.406 123.344 122.820 0.197 0.000 1.958 17 A HA -0.218 4.102 4.320 -0.000 0.000 0.221 17 A C 1.944 179.648 177.584 0.200 0.000 1.178 17 A CA 1.819 53.955 52.037 0.164 0.000 0.642 17 A CB -0.297 18.787 19.000 0.139 0.000 0.816 17 A HN 0.375 nan 8.150 nan 0.000 0.453 18 L N -0.710 120.711 121.223 0.330 0.000 2.640 18 L HA 0.237 4.577 4.340 -0.000 0.000 0.230 18 L C 0.584 177.685 176.870 0.385 0.000 1.123 18 L CA -0.065 54.993 54.840 0.365 0.000 0.900 18 L CB -0.663 41.647 42.059 0.420 0.000 1.146 18 L HN 0.371 nan 8.230 nan 0.000 0.484 19 N N 1.166 120.000 118.700 0.223 0.000 2.454 19 N HA 0.069 4.809 4.740 -0.000 0.000 0.254 19 N C -2.320 173.176 175.510 -0.023 0.000 1.228 19 N CA -1.083 51.918 53.050 -0.082 0.000 0.900 19 N CB 0.530 38.878 38.487 -0.232 0.000 1.089 19 N HN -0.054 nan 8.380 nan 0.000 0.449 20 P HA 0.118 nan 4.420 nan 0.000 0.267 20 P C -1.116 176.161 177.300 -0.039 0.000 1.205 20 P CA 0.406 63.482 63.100 -0.039 0.000 0.765 20 P CB 0.517 32.181 31.700 -0.061 0.000 0.828 21 R N 1.347 121.837 120.500 -0.016 0.000 2.533 21 R HA 0.353 4.693 4.340 -0.000 0.000 0.288 21 R C -0.338 175.959 176.300 -0.005 0.000 1.039 21 R CA -0.621 55.471 56.100 -0.012 0.000 0.909 21 R CB 1.784 32.084 30.300 0.001 0.000 1.195 21 R HN 0.335 nan 8.270 nan 0.000 0.438 22 T N 3.398 117.946 114.554 -0.011 0.000 2.901 22 T HA 0.066 4.416 4.350 -0.000 0.000 0.301 22 T C 0.255 174.956 174.700 0.002 0.000 1.012 22 T CA -0.077 62.018 62.100 -0.009 0.000 1.135 22 T CB 0.687 69.544 68.868 -0.018 0.000 0.936 22 T HN 0.334 nan 8.240 nan 0.000 0.539 23 Q N 1.299 121.104 119.800 0.009 0.000 2.306 23 Q HA 0.290 4.630 4.340 -0.000 0.000 0.241 23 Q C 1.025 177.028 176.000 0.005 0.000 0.948 23 Q CA -0.549 55.269 55.803 0.026 0.000 0.886 23 Q CB 0.763 29.526 28.738 0.041 0.000 1.227 23 Q HN 0.812 nan 8.270 nan 0.000 0.457 24 S N -0.338 115.379 115.700 0.029 0.000 2.503 24 S HA 0.098 4.568 4.470 -0.000 0.000 0.215 24 S C -0.045 174.358 174.600 -0.328 0.000 1.003 24 S CA 0.053 58.202 58.200 -0.086 0.000 0.910 24 S CB 0.140 63.339 63.200 -0.001 0.000 0.790 24 S HN 0.599 nan 8.310 nan 0.000 0.514 25 H N 0.300 119.366 119.070 -0.007 0.000 2.949 25 H HA 0.765 5.321 4.556 -0.000 0.000 0.356 25 H C -0.356 174.967 175.328 -0.009 0.000 1.212 25 H CA -0.426 55.616 56.048 -0.009 0.000 1.136 25 H CB 1.199 30.953 29.762 -0.014 0.000 1.869 25 H HN 0.278 nan 8.280 nan 0.000 0.556 26 A N 0.810 123.701 122.820 0.118 0.000 2.371 26 A HA 0.620 4.940 4.320 -0.000 0.000 0.257 26 A C 0.203 177.814 177.584 0.045 0.000 1.089 26 A CA 0.044 52.117 52.037 0.060 0.000 0.794 26 A CB -0.193 18.831 19.000 0.041 0.000 1.029 26 A HN 0.802 nan 8.150 nan 0.000 0.488 27 A N 0.990 123.831 122.820 0.036 0.000 2.407 27 A HA 0.512 4.832 4.320 -0.000 0.000 0.248 27 A C -0.343 177.189 177.584 -0.087 0.000 1.082 27 A CA -0.163 51.867 52.037 -0.011 0.000 0.785 27 A CB 0.076 19.143 19.000 0.112 0.000 1.020 27 A HN 1.262 nan 8.150 nan 0.000 0.489 28 L N 3.410 124.460 121.223 -0.289 0.000 2.319 28 L HA 0.528 4.868 4.340 -0.000 0.000 0.281 28 L C -1.050 175.512 176.870 -0.515 0.000 1.005 28 L CA 0.181 54.864 54.840 -0.263 0.000 0.828 28 L CB 0.718 42.666 42.059 -0.183 0.000 1.227 28 L HN 0.723 nan 8.230 nan 0.000 0.415 29 H N 2.788 121.869 119.070 0.018 0.000 3.224 29 H HA 0.276 4.832 4.556 -0.000 0.000 0.331 29 H C -0.423 174.918 175.328 0.021 0.000 1.002 29 H CA -0.572 55.490 56.048 0.022 0.000 1.473 29 H CB 1.677 31.455 29.762 0.027 0.000 1.830 29 H HN 0.648 nan 8.280 nan 0.000 0.485 30 S N 1.754 117.526 115.700 0.119 0.000 2.558 30 S HA -0.048 4.422 4.470 -0.000 0.000 0.287 30 S C 1.240 175.888 174.600 0.080 0.000 1.321 30 S CA 0.210 58.456 58.200 0.076 0.000 1.048 30 S CB 0.917 64.149 63.200 0.054 0.000 0.844 30 S HN 0.573 nan 8.310 nan 0.000 0.512 31 T N 2.057 116.646 114.554 0.058 0.000 2.803 31 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 31 T C 1.601 176.329 174.700 0.046 0.000 1.052 31 T CA 1.501 63.631 62.100 0.050 0.000 1.136 31 T CB -0.502 68.388 68.868 0.038 0.000 0.864 31 T HN 0.578 nan 8.240 nan 0.000 0.467 32 L N 1.445 122.693 121.223 0.043 0.000 2.027 32 L HA 0.161 4.501 4.340 -0.000 0.000 0.206 32 L C 2.624 179.519 176.870 0.042 0.000 1.074 32 L CA 1.890 56.752 54.840 0.037 0.000 0.745 32 L CB -1.053 41.024 42.059 0.030 0.000 0.898 32 L HN 0.194 nan 8.230 nan 0.000 0.433 33 A N -0.585 122.267 122.820 0.054 0.000 1.940 33 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 33 A C 2.286 179.902 177.584 0.054 0.000 1.176 33 A CA 1.669 53.742 52.037 0.059 0.000 0.631 33 A CB -0.530 18.524 19.000 0.089 0.000 0.814 33 A HN 0.396 nan 8.150 nan 0.000 0.446 34 K N 0.034 120.467 120.400 0.056 0.000 1.985 34 K HA -0.112 4.208 4.320 -0.000 0.000 0.210 34 K C 1.972 178.605 176.600 0.056 0.000 1.047 34 K CA 1.670 57.986 56.287 0.048 0.000 0.932 34 K CB -0.541 31.987 32.500 0.046 0.000 0.716 34 K HN 0.517 nan 8.250 nan 0.000 0.439 35 K N 0.735 121.164 120.400 0.049 0.000 2.052 35 K HA -0.160 4.160 4.320 -0.000 0.000 0.215 35 K C 2.243 178.870 176.600 0.044 0.000 1.053 35 K CA 1.668 57.982 56.287 0.045 0.000 0.934 35 K CB -0.300 32.221 32.500 0.036 0.000 0.717 35 K HN 0.050 nan 8.250 nan 0.000 0.450 36 L N 0.101 121.346 121.223 0.037 0.000 2.079 36 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 36 L C 2.173 179.061 176.870 0.031 0.000 1.081 36 L CA 1.424 56.280 54.840 0.026 0.000 0.752 36 L CB -0.411 41.658 42.059 0.017 0.000 0.896 36 L HN 0.263 nan 8.230 nan 0.000 0.433 37 D N 0.009 120.443 120.400 0.057 0.000 2.234 37 D HA -0.170 4.470 4.640 -0.000 0.000 0.205 37 D C 2.191 178.594 176.300 0.172 0.000 0.962 37 D CA 0.672 54.732 54.000 0.099 0.000 0.855 37 D CB 0.144 41.026 40.800 0.137 0.000 0.951 37 D HN 0.050 nan 8.370 nan 0.000 0.500 38 K N 0.412 120.908 120.400 0.160 0.000 2.113 38 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 38 K C 1.667 178.357 176.600 0.150 0.000 1.047 38 K CA 1.064 57.468 56.287 0.196 0.000 0.928 38 K CB 0.129 32.701 32.500 0.120 0.000 0.716 38 K HN 0.013 nan 8.250 nan 0.000 0.446 39 K N -0.353 120.088 120.400 0.068 0.000 2.280 39 K HA -0.193 4.127 4.320 -0.000 0.000 0.202 39 K C 1.911 178.483 176.600 -0.046 0.000 1.047 39 K CA 1.301 57.599 56.287 0.019 0.000 0.942 39 K CB -0.343 32.157 32.500 0.000 0.000 0.739 39 K HN 0.411 nan 8.250 nan 0.000 0.457 40 H N -0.594 118.325 119.070 -0.251 0.000 2.389 40 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 40 H C 1.040 176.086 175.328 -0.469 0.000 1.081 40 H CA 1.793 57.530 56.048 -0.518 0.000 1.345 40 H CB 0.021 29.222 29.762 -0.935 0.000 1.393 40 H HN 0.233 nan 8.280 nan 0.000 0.520 41 W N 0.330 121.663 121.300 0.057 0.000 3.220 41 W HA 0.242 4.902 4.660 -0.000 0.000 0.328 41 W C 0.448 176.959 176.519 -0.013 0.000 1.205 41 W CA -0.716 56.573 57.345 -0.093 0.000 1.773 41 W CB 0.123 29.482 29.460 -0.168 0.000 1.086 41 W HN -0.155 nan 8.180 nan 0.000 0.622 42 K N 2.185 122.685 120.400 0.167 0.000 2.477 42 K HA -0.104 4.216 4.320 -0.000 0.000 0.275 42 K C 1.172 177.858 176.600 0.143 0.000 1.054 42 K CA 0.743 57.105 56.287 0.125 0.000 1.135 42 K CB 0.390 32.933 32.500 0.072 0.000 0.854 42 K HN -0.007 nan 8.250 nan 0.000 0.484 43 R N 1.902 122.471 120.500 0.114 0.000 2.191 43 R HA 0.055 4.395 4.340 -0.000 0.000 0.196 43 R C 0.391 176.729 176.300 0.063 0.000 0.991 43 R CA 0.279 56.447 56.100 0.114 0.000 1.075 43 R CB -0.151 30.205 30.300 0.094 0.000 1.040 43 R HN 0.816 nan 8.270 nan 0.000 0.526 44 N N 1.442 120.166 118.700 0.040 0.000 2.530 44 N HA 0.276 5.016 4.740 -0.000 0.000 0.283 44 N C -2.749 172.765 175.510 0.007 0.000 1.238 44 N CA -1.868 51.190 53.050 0.013 0.000 0.971 44 N CB -0.570 37.918 38.487 0.003 0.000 1.195 44 N HN -0.297 nan 8.380 nan 0.000 0.583 45 P HA 0.042 nan 4.420 nan 0.000 0.266 45 P C -0.796 176.496 177.300 -0.014 0.000 1.193 45 P CA 0.283 63.371 63.100 -0.019 0.000 0.770 45 P CB 0.239 31.925 31.700 -0.023 0.000 0.836 46 D N 2.126 122.512 120.400 -0.023 0.000 2.380 46 D HA 0.019 4.659 4.640 -0.000 0.000 0.230 46 D C 1.120 177.417 176.300 -0.006 0.000 1.154 46 D CA -0.316 53.681 54.000 -0.005 0.000 0.859 46 D CB 0.717 41.516 40.800 -0.002 0.000 1.045 46 D HN 0.334 nan 8.370 nan 0.000 0.495 47 K N 2.545 122.946 120.400 0.001 0.000 2.442 47 K HA -0.089 4.231 4.320 -0.000 0.000 0.199 47 K C 0.316 176.927 176.600 0.018 0.000 1.044 47 K CA 1.009 57.288 56.287 -0.013 0.000 0.941 47 K CB 0.129 32.624 32.500 -0.008 0.000 0.759 47 K HN 0.130 nan 8.250 nan 0.000 0.472 48 N N 0.480 119.231 118.700 0.085 0.000 2.251 48 N HA 0.021 4.761 4.740 -0.000 0.000 0.217 48 N C -0.734 174.963 175.510 0.311 0.000 1.124 48 N CA -0.103 53.076 53.050 0.216 0.000 0.843 48 N CB 0.590 39.169 38.487 0.153 0.000 1.024 48 N HN 0.206 nan 8.380 nan 0.000 0.501 49 C N 1.101 120.517 119.300 0.192 0.000 2.251 49 C HA 0.424 4.884 4.460 -0.000 0.000 0.323 49 C C 0.965 176.079 174.990 0.207 0.000 1.241 49 C CA -0.666 58.447 59.018 0.158 0.000 1.601 49 C CB -1.583 26.101 27.740 -0.094 0.000 2.251 49 C HN 0.248 nan 8.230 nan 0.000 0.488 50 F N 4.924 124.891 119.950 0.028 0.000 2.811 50 F HA 0.152 4.679 4.527 -0.000 0.000 0.301 50 F C 1.800 177.650 175.800 0.083 0.000 1.151 50 F CA 0.327 58.360 58.000 0.054 0.000 1.412 50 F CB -0.647 38.400 39.000 0.079 0.000 1.113 50 F HN 0.760 nan 8.300 nan 0.000 0.579 51 H N -1.529 117.633 119.070 0.153 0.000 3.779 51 H HA 0.743 5.299 4.556 -0.000 0.000 0.320 51 H C -0.073 175.276 175.328 0.034 0.000 1.666 51 H CA -0.729 55.361 56.048 0.072 0.000 1.439 51 H CB 1.203 30.999 29.762 0.057 0.000 1.281 51 H HN 0.025 nan 8.280 nan 0.000 0.809 52 C N -0.955 118.370 119.300 0.041 0.000 3.197 52 C HA 0.310 4.770 4.460 -0.000 0.000 0.343 52 C C 0.106 175.166 174.990 0.117 0.000 1.291 52 C CA -0.412 58.586 59.018 -0.034 0.000 1.191 52 C CB 0.886 28.603 27.740 -0.038 0.000 1.444 52 C HN 1.200 nan 8.230 nan 0.000 0.468 53 E N 1.962 122.196 120.200 0.056 0.000 2.478 53 E HA 0.159 4.509 4.350 -0.000 0.000 0.262 53 E C -0.688 175.927 176.600 0.025 0.000 1.243 53 E CA 0.110 56.542 56.400 0.054 0.000 1.039 53 E CB 0.453 30.160 29.700 0.012 0.000 0.983 53 E HN 0.671 nan 8.360 nan 0.000 0.479 54 K N 0.890 121.295 120.400 0.008 0.000 2.201 54 K HA 0.240 4.560 4.320 -0.000 0.000 0.278 54 K C 0.210 176.783 176.600 -0.044 0.000 1.027 54 K CA -0.283 55.996 56.287 -0.014 0.000 0.909 54 K CB 0.958 33.453 32.500 -0.008 0.000 1.062 54 K HN 0.461 nan 8.250 nan 0.000 0.465 55 L N 1.579 122.757 121.223 -0.075 0.000 2.728 55 L HA 0.148 4.488 4.340 -0.000 0.000 0.238 55 L C 0.540 177.320 176.870 -0.149 0.000 1.143 55 L CA -0.082 54.678 54.840 -0.134 0.000 0.937 55 L CB 0.212 42.154 42.059 -0.195 0.000 1.225 55 L HN 0.694 nan 8.230 nan 0.000 0.507 56 E N 1.730 121.881 120.200 -0.083 0.000 2.529 56 E HA -0.198 4.152 4.350 -0.000 0.000 0.259 56 E C 0.401 176.977 176.600 -0.040 0.000 0.966 56 E CA 0.181 56.549 56.400 -0.053 0.000 0.937 56 E CB 0.161 29.857 29.700 -0.007 0.000 0.923 56 E HN 0.214 nan 8.360 nan 0.000 0.468 57 N N 3.019 121.710 118.700 -0.015 0.000 2.710 57 N HA -0.254 4.486 4.740 -0.000 0.000 0.249 57 N C -1.463 174.091 175.510 0.072 0.000 1.059 57 N CA 0.825 53.967 53.050 0.154 0.000 0.720 57 N CB -0.826 37.775 38.487 0.190 0.000 0.983 57 N HN 0.409 nan 8.380 nan 0.000 0.544 58 N N 0.640 119.199 118.700 -0.235 0.000 2.621 58 N HA 0.229 4.969 4.740 -0.000 0.000 0.237 58 N C -0.953 174.365 175.510 -0.320 0.000 0.997 58 N CA -0.311 52.646 53.050 -0.156 0.000 0.918 58 N CB -0.078 38.317 38.487 -0.153 0.000 1.122 58 N HN 0.178 nan 8.380 nan 0.000 0.510 59 F N 0.859 120.872 119.950 0.105 0.000 2.925 59 F HA 0.315 4.842 4.527 -0.000 0.000 0.302 59 F C 0.491 176.396 175.800 0.175 0.000 1.189 59 F CA -0.735 57.390 58.000 0.209 0.000 1.346 59 F CB 0.236 39.342 39.000 0.177 0.000 0.954 59 F HN 0.138 nan 8.300 nan 0.000 0.506 60 D N 0.441 120.956 120.400 0.193 0.000 2.344 60 D HA -0.015 4.625 4.640 -0.000 0.000 0.244 60 D C -0.151 176.255 176.300 0.176 0.000 1.134 60 D CA -0.064 54.028 54.000 0.153 0.000 0.930 60 D CB 0.842 41.691 40.800 0.083 0.000 1.175 60 D HN 0.123 nan 8.370 nan 0.000 0.437 61 D N 0.471 120.966 120.400 0.158 0.000 2.401 61 D HA -0.006 4.634 4.640 -0.000 0.000 0.254 61 D C 1.018 177.399 176.300 0.134 0.000 1.192 61 D CA -0.022 54.076 54.000 0.163 0.000 0.885 61 D CB 0.196 41.071 40.800 0.125 0.000 1.147 61 D HN 0.408 nan 8.370 nan 0.000 0.478 62 I N -0.149 120.512 120.570 0.152 0.000 4.018 62 I HA 0.232 4.402 4.170 -0.000 0.000 0.337 62 I C 0.234 176.434 176.117 0.139 0.000 1.327 62 I CA -0.713 60.652 61.300 0.108 0.000 1.100 62 I CB -0.012 37.999 38.000 0.018 0.000 1.025 62 I HN 0.012 nan 8.210 nan 0.000 0.396 63 K N 1.895 122.375 120.400 0.134 0.000 2.484 63 K HA 0.023 4.343 4.320 -0.000 0.000 0.280 63 K C 0.230 176.949 176.600 0.197 0.000 1.013 63 K CA 0.311 56.664 56.287 0.110 0.000 1.029 63 K CB 0.435 32.993 32.500 0.097 0.000 0.902 63 K HN 0.426 nan 8.250 nan 0.000 0.481 64 H N 0.398 119.493 119.070 0.042 0.000 2.529 64 H HA -0.080 4.476 4.556 -0.000 0.000 0.277 64 H C 1.976 177.324 175.328 0.033 0.000 0.999 64 H CA 1.241 57.309 56.048 0.033 0.000 1.256 64 H CB 0.509 30.286 29.762 0.025 0.000 1.402 64 H HN 0.734 nan 8.280 nan 0.000 0.566 65 T N -1.635 113.016 114.554 0.160 0.000 3.014 65 T HA -0.046 4.304 4.350 -0.000 0.000 0.263 65 T C 1.198 175.948 174.700 0.084 0.000 1.078 65 T CA 0.106 62.269 62.100 0.104 0.000 1.135 65 T CB -0.367 68.551 68.868 0.083 0.000 0.895 65 T HN -0.032 nan 8.240 nan 0.000 0.480 66 T N 3.112 117.719 114.554 0.089 0.000 2.867 66 T HA 0.253 4.602 4.350 -0.000 0.000 0.290 66 T C -0.195 174.539 174.700 0.057 0.000 1.025 66 T CA 0.445 62.591 62.100 0.077 0.000 1.146 66 T CB -0.226 68.690 68.868 0.080 0.000 1.024 66 T HN 0.295 nan 8.240 nan 0.000 0.519 67 L N 2.303 123.555 121.223 0.047 0.000 2.341 67 L HA 0.725 5.065 4.340 -0.000 0.000 0.267 67 L C 0.933 177.770 176.870 -0.055 0.000 1.009 67 L CA -1.180 53.649 54.840 -0.020 0.000 0.819 67 L CB 1.995 44.009 42.059 -0.075 0.000 1.323 67 L HN 0.710 nan 8.230 nan 0.000 0.425 68 G N -0.365 108.341 108.800 -0.156 0.000 2.521 68 G HA2 0.255 4.215 3.960 -0.000 0.000 0.323 68 G HA3 0.255 4.215 3.960 -0.000 0.000 0.323 68 G C 0.407 175.040 174.900 -0.445 0.000 1.211 68 G CA -0.249 44.697 45.100 -0.256 0.000 0.979 68 G HN 0.815 nan 8.290 nan 0.000 0.490 69 E N -0.379 119.589 120.200 -0.387 0.000 2.038 69 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 69 E C 2.275 178.648 176.600 -0.378 0.000 1.000 69 E CA 1.276 57.350 56.400 -0.543 0.000 0.803 69 E CB -0.118 29.516 29.700 -0.111 0.000 0.750 69 E HN 0.507 nan 8.360 nan 0.000 0.448 70 R N -0.118 120.273 120.500 -0.182 0.000 2.143 70 R HA -0.204 4.136 4.340 -0.000 0.000 0.239 70 R C 2.402 178.632 176.300 -0.117 0.000 1.126 70 R CA 2.227 58.277 56.100 -0.083 0.000 0.927 70 R CB -1.027 29.278 30.300 0.008 0.000 0.860 70 R HN 0.357 nan 8.270 nan 0.000 0.433 71 G N -0.556 108.165 108.800 -0.130 0.000 2.432 71 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 71 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 71 G C 1.525 176.317 174.900 -0.180 0.000 1.135 71 G CA 0.818 45.848 45.100 -0.117 0.000 0.767 71 G HN 0.558 nan 8.290 nan 0.000 0.550 72 A N 0.679 123.282 122.820 -0.362 0.000 1.902 72 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 72 A C 2.405 179.860 177.584 -0.216 0.000 1.181 72 A CA 1.153 52.938 52.037 -0.420 0.000 0.623 72 A CB -0.415 17.904 19.000 -1.135 0.000 0.818 72 A HN 0.344 nan 8.150 nan 0.000 0.443 73 L N -1.005 120.106 121.223 -0.187 0.000 2.079 73 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 73 L C 2.917 179.774 176.870 -0.022 0.000 1.081 73 L CA 1.417 56.232 54.840 -0.040 0.000 0.752 73 L CB -0.452 41.605 42.059 -0.003 0.000 0.896 73 L HN 0.390 nan 8.230 nan 0.000 0.433 74 R N -0.150 120.325 120.500 -0.042 0.000 2.064 74 R HA -0.203 4.137 4.340 -0.000 0.000 0.228 74 R C 2.244 178.534 176.300 -0.017 0.000 1.144 74 R CA 1.597 57.683 56.100 -0.022 0.000 0.932 74 R CB -0.376 29.910 30.300 -0.025 0.000 0.833 74 R HN 0.172 nan 8.270 nan 0.000 0.429 75 E N 0.894 121.078 120.200 -0.027 0.000 2.130 75 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 75 E C 1.806 178.401 176.600 -0.007 0.000 0.998 75 E CA 1.657 58.047 56.400 -0.016 0.000 0.806 75 E CB -0.151 29.539 29.700 -0.016 0.000 0.738 75 E HN 0.379 nan 8.360 nan 0.000 0.459 76 A N 0.001 122.821 122.820 0.001 0.000 1.933 76 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 76 A C 2.216 179.808 177.584 0.013 0.000 1.175 76 A CA 1.818 53.868 52.037 0.021 0.000 0.628 76 A CB -0.476 18.563 19.000 0.065 0.000 0.814 76 A HN 0.357 nan 8.150 nan 0.000 0.444 77 M N -1.868 117.740 119.600 0.013 0.000 2.349 77 M HA -0.006 4.474 4.480 -0.000 0.000 0.266 77 M C 2.275 178.579 176.300 0.007 0.000 1.076 77 M CA 1.045 56.353 55.300 0.014 0.000 1.126 77 M CB -0.101 32.508 32.600 0.015 0.000 1.392 77 M HN 0.423 nan 8.290 nan 0.000 0.440 78 R N 0.057 120.557 120.500 0.000 0.000 2.115 78 R HA -0.031 4.309 4.340 -0.000 0.000 0.226 78 R C 0.763 177.060 176.300 -0.004 0.000 1.100 78 R CA 0.370 56.470 56.100 -0.001 0.000 0.980 78 R CB -0.026 30.271 30.300 -0.004 0.000 0.875 78 R HN 0.425 nan 8.270 nan 0.000 0.445 79 C N 1.215 120.507 119.300 -0.013 0.000 2.596 79 C HA 0.026 4.486 4.460 -0.000 0.000 0.414 79 C C 1.905 176.882 174.990 -0.021 0.000 1.396 79 C CA -0.405 58.597 59.018 -0.028 0.000 1.698 79 C CB -0.470 27.236 27.740 -0.056 0.000 2.572 79 C HN 0.559 nan 8.230 nan 0.000 0.604 80 L N 3.993 125.204 121.223 -0.020 0.000 2.395 80 L HA 0.041 4.381 4.340 -0.000 0.000 0.218 80 L C 1.651 178.509 176.870 -0.021 0.000 1.130 80 L CA 0.574 55.408 54.840 -0.010 0.000 0.826 80 L CB -0.531 41.525 42.059 -0.004 0.000 0.941 80 L HN 0.828 nan 8.230 nan 0.000 0.451 81 K N -0.411 119.962 120.400 -0.045 0.000 3.150 81 K HA -0.173 4.147 4.320 -0.000 0.000 0.267 81 K C 0.051 176.621 176.600 -0.049 0.000 1.028 81 K CA 0.004 56.255 56.287 -0.061 0.000 0.753 81 K CB -2.536 29.935 32.500 -0.047 0.000 1.288 81 K HN 0.322 nan 8.250 nan 0.000 0.473 82 C N 0.667 119.939 119.300 -0.047 0.000 2.746 82 C HA 0.233 4.693 4.460 -0.000 0.000 0.403 82 C C 1.664 176.631 174.990 -0.039 0.000 1.270 82 C CA -0.160 58.837 59.018 -0.036 0.000 1.978 82 C CB -0.218 27.503 27.740 -0.033 0.000 2.724 82 C HN 0.640 nan 8.230 nan 0.000 0.678 83 A N 0.972 123.775 122.820 -0.028 0.000 2.316 83 A HA 0.485 4.805 4.320 -0.000 0.000 0.284 83 A C 0.536 178.107 177.584 -0.023 0.000 1.115 83 A CA -0.049 51.973 52.037 -0.025 0.000 0.812 83 A CB -0.044 18.944 19.000 -0.020 0.000 1.064 83 A HN 1.066 nan 8.150 nan 0.000 0.489 84 D N -0.041 120.348 120.400 -0.019 0.000 2.706 84 D HA -0.119 4.521 4.640 -0.000 0.000 0.230 84 D C 0.548 176.831 176.300 -0.028 0.000 1.184 84 D CA 1.028 55.020 54.000 -0.013 0.000 0.628 84 D CB -0.999 39.801 40.800 0.000 0.000 1.019 84 D HN 1.072 nan 8.370 nan 0.000 0.415 85 A N 1.115 123.906 122.820 -0.049 0.000 2.587 85 A HA 0.208 4.528 4.320 -0.000 0.000 0.235 85 A C -0.507 177.040 177.584 -0.062 0.000 1.044 85 A CA -0.094 51.907 52.037 -0.060 0.000 0.754 85 A CB 0.427 19.376 19.000 -0.084 0.000 0.968 85 A HN 0.329 nan 8.150 nan 0.000 0.509 86 P HA -0.092 nan 4.420 nan 0.000 0.224 86 P C 1.554 178.826 177.300 -0.047 0.000 1.157 86 P CA 1.500 64.578 63.100 -0.037 0.000 0.799 86 P CB -0.361 31.325 31.700 -0.025 0.000 0.809 87 C N -0.702 118.565 119.300 -0.056 0.000 2.440 87 C HA -0.061 4.399 4.460 -0.000 0.000 0.278 87 C C 2.962 177.909 174.990 -0.071 0.000 1.295 87 C CA 0.800 59.785 59.018 -0.054 0.000 1.738 87 C CB -2.182 25.524 27.740 -0.057 0.000 1.987 87 C HN 0.218 nan 8.230 nan 0.000 0.492 88 Q N 1.253 120.983 119.800 -0.118 0.000 2.172 88 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 88 Q C 2.220 178.097 176.000 -0.206 0.000 0.964 88 Q CA 1.187 56.871 55.803 -0.198 0.000 0.855 88 Q CB -0.137 28.415 28.738 -0.310 0.000 0.918 88 Q HN 0.704 nan 8.270 nan 0.000 0.444 89 K N -0.229 120.099 120.400 -0.120 0.000 2.217 89 K HA 0.005 4.325 4.320 -0.000 0.000 0.202 89 K C 1.693 178.297 176.600 0.008 0.000 1.051 89 K CA 1.085 57.361 56.287 -0.017 0.000 0.952 89 K CB 0.194 32.698 32.500 0.008 0.000 0.736 89 K HN 0.037 nan 8.250 nan 0.000 0.453 90 S N 0.512 116.202 115.700 -0.018 0.000 2.593 90 S HA -0.002 4.468 4.470 -0.000 0.000 0.217 90 S C 0.486 175.085 174.600 -0.002 0.000 0.966 90 S CA -0.253 57.942 58.200 -0.008 0.000 0.914 90 S CB -0.152 63.035 63.200 -0.021 0.000 0.776 90 S HN 0.363 nan 8.310 nan 0.000 0.523 91 C N 2.986 122.284 119.300 -0.003 0.000 2.307 91 C HA 0.491 4.951 4.460 -0.000 0.000 0.340 91 C C -1.582 173.430 174.990 0.037 0.000 1.275 91 C CA -2.189 56.835 59.018 0.009 0.000 1.811 91 C CB 0.694 28.433 27.740 -0.001 0.000 2.372 91 C HN 0.217 nan 8.230 nan 0.000 0.531 92 P HA -0.087 nan 4.420 nan 0.000 0.219 92 P C 1.191 178.518 177.300 0.045 0.000 1.146 92 P CA 2.013 65.135 63.100 0.037 0.000 0.808 92 P CB 0.064 31.777 31.700 0.023 0.000 0.779 93 T N -6.872 107.710 114.554 0.047 0.000 3.134 93 T HA 0.209 4.558 4.350 -0.000 0.000 0.260 93 T C 0.377 175.151 174.700 0.124 0.000 1.027 93 T CA -0.356 61.777 62.100 0.055 0.000 0.913 93 T CB -1.039 67.845 68.868 0.028 0.000 1.046 93 T HN 0.054 nan 8.240 nan 0.000 0.553 94 H N -0.176 118.891 119.070 -0.004 0.000 2.776 94 H HA -0.126 4.430 4.556 -0.000 0.000 0.300 94 H C -0.360 174.978 175.328 0.018 0.000 1.161 94 H CA 0.010 56.059 56.048 0.001 0.000 1.147 94 H CB -2.295 27.459 29.762 -0.013 0.000 1.366 94 H HN 0.454 nan 8.280 nan 0.000 0.397 95 L N 1.136 122.374 121.223 0.025 0.000 2.601 95 L HA -0.043 4.297 4.340 -0.000 0.000 0.277 95 L C 0.997 177.885 176.870 0.029 0.000 1.219 95 L CA 0.972 55.846 54.840 0.056 0.000 0.915 95 L CB 0.232 42.358 42.059 0.113 0.000 1.160 95 L HN 0.358 nan 8.230 nan 0.000 0.494 96 D N 4.520 124.957 120.400 0.062 0.000 2.597 96 D HA -0.000 4.640 4.640 -0.000 0.000 0.228 96 D C 1.347 177.658 176.300 0.020 0.000 1.120 96 D CA 0.261 54.268 54.000 0.012 0.000 1.083 96 D CB 0.131 40.948 40.800 0.028 0.000 1.116 96 D HN 0.430 nan 8.370 nan 0.000 0.487 97 I N 1.583 122.105 120.570 -0.080 0.000 2.151 97 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 97 I C 2.531 178.344 176.117 -0.506 0.000 1.080 97 I CA 1.012 62.061 61.300 -0.419 0.000 1.339 97 I CB -0.224 37.591 38.000 -0.308 0.000 1.039 97 I HN 0.300 nan 8.210 nan 0.000 0.409 98 K N 1.010 121.254 120.400 -0.261 0.000 2.034 98 K HA -0.238 4.082 4.320 -0.000 0.000 0.214 98 K C 2.265 178.760 176.600 -0.175 0.000 1.051 98 K CA 2.314 58.484 56.287 -0.196 0.000 0.931 98 K CB -0.096 32.333 32.500 -0.117 0.000 0.715 98 K HN 0.198 nan 8.250 nan 0.000 0.446 99 S N 0.584 116.213 115.700 -0.118 0.000 2.345 99 S HA -0.130 4.340 4.470 -0.000 0.000 0.220 99 S C 1.654 176.251 174.600 -0.006 0.000 1.031 99 S CA 1.468 59.634 58.200 -0.057 0.000 0.996 99 S CB -0.489 62.699 63.200 -0.020 0.000 0.882 99 S HN 0.562 nan 8.310 nan 0.000 0.445 100 F N 1.516 121.442 119.950 -0.040 0.000 2.293 100 F HA 0.142 4.669 4.527 -0.000 0.000 0.300 100 F C 1.692 177.502 175.800 0.016 0.000 1.086 100 F CA 0.625 58.609 58.000 -0.025 0.000 1.375 100 F CB -0.674 38.306 39.000 -0.034 0.000 1.045 100 F HN 0.118 nan 8.300 nan 0.000 0.516 101 I N 0.312 120.646 120.570 -0.395 0.000 2.500 101 I HA -0.193 3.977 4.170 -0.000 0.000 0.252 101 I C 2.178 178.270 176.117 -0.041 0.000 1.142 101 I CA 1.298 62.456 61.300 -0.237 0.000 1.451 101 I CB -0.632 37.117 38.000 -0.419 0.000 1.093 101 I HN 0.218 nan 8.210 nan 0.000 0.430 102 T N 0.096 114.616 114.554 -0.056 0.000 2.777 102 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 102 T C 2.098 176.821 174.700 0.038 0.000 1.040 102 T CA 1.702 63.795 62.100 -0.010 0.000 1.141 102 T CB -0.084 68.764 68.868 -0.034 0.000 0.868 102 T HN 0.268 nan 8.240 nan 0.000 0.444 103 S N 1.066 116.799 115.700 0.057 0.000 2.383 103 S HA -0.005 4.465 4.470 -0.000 0.000 0.229 103 S C 2.017 176.691 174.600 0.124 0.000 1.030 103 S CA 0.879 59.124 58.200 0.075 0.000 1.002 103 S CB -0.388 62.858 63.200 0.078 0.000 0.829 103 S HN 0.429 nan 8.310 nan 0.000 0.467 104 I N 1.814 122.514 120.570 0.217 0.000 2.252 104 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 104 I C 2.616 178.874 176.117 0.235 0.000 1.102 104 I CA 1.364 62.869 61.300 0.342 0.000 1.385 104 I CB -0.545 37.704 38.000 0.415 0.000 1.064 104 I HN 0.372 nan 8.210 nan 0.000 0.414 105 S N 0.668 116.452 115.700 0.141 0.000 2.469 105 S HA -0.103 4.366 4.470 -0.000 0.000 0.238 105 S C 1.410 176.060 174.600 0.084 0.000 0.998 105 S CA 1.011 59.271 58.200 0.100 0.000 0.957 105 S CB -0.404 62.835 63.200 0.064 0.000 0.764 105 S HN 0.395 nan 8.310 nan 0.000 0.514 106 N N 1.434 120.178 118.700 0.072 0.000 2.270 106 N HA 0.233 4.973 4.740 -0.000 0.000 0.198 106 N C -0.247 175.246 175.510 -0.028 0.000 1.117 106 N CA 0.060 53.141 53.050 0.051 0.000 0.845 106 N CB -0.058 38.480 38.487 0.085 0.000 0.980 106 N HN 0.490 nan 8.380 nan 0.000 0.486 107 K N -0.486 119.852 120.400 -0.103 0.000 3.209 107 K HA -0.208 4.112 4.320 -0.000 0.000 0.289 107 K C -0.257 175.958 176.600 -0.641 0.000 1.191 107 K CA 0.478 56.491 56.287 -0.457 0.000 0.851 107 K CB -1.611 30.765 32.500 -0.207 0.000 1.242 107 K HN 0.131 nan 8.250 nan 0.000 0.480 108 N N 0.672 119.176 118.700 -0.326 0.000 3.301 108 N HA 0.161 4.901 4.740 -0.000 0.000 0.289 108 N C 0.532 176.019 175.510 -0.039 0.000 1.343 108 N CA -0.350 52.613 53.050 -0.144 0.000 1.136 108 N CB -0.047 38.437 38.487 -0.006 0.000 1.402 108 N HN 0.207 nan 8.380 nan 0.000 0.516 109 Y N -0.252 120.152 120.300 0.174 0.000 2.151 109 Y HA -0.329 4.221 4.550 -0.000 0.000 0.284 109 Y C 1.760 177.711 175.900 0.085 0.000 1.166 109 Y CA 1.197 59.377 58.100 0.133 0.000 1.163 109 Y CB -0.370 38.155 38.460 0.108 0.000 0.974 109 Y HN 0.426 nan 8.280 nan 0.000 0.511 110 Y N 0.904 121.295 120.300 0.152 0.000 2.070 110 Y HA -0.207 4.343 4.550 -0.000 0.000 0.280 110 Y C 2.493 178.347 175.900 -0.076 0.000 1.148 110 Y CA 1.375 59.486 58.100 0.018 0.000 1.125 110 Y CB -1.031 37.453 38.460 0.041 0.000 0.975 110 Y HN 0.039 nan 8.280 nan 0.000 0.492 111 G N -0.003 108.655 108.800 -0.237 0.000 2.469 111 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.219 111 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.219 111 G C 1.810 176.567 174.900 -0.238 0.000 1.150 111 G CA 1.487 46.401 45.100 -0.311 0.000 0.763 111 G HN 0.705 nan 8.290 nan 0.000 0.561 112 A N 1.127 123.901 122.820 -0.075 0.000 1.873 112 A HA 0.306 4.626 4.320 -0.000 0.000 0.215 112 A C 2.861 180.349 177.584 -0.159 0.000 1.186 112 A CA 2.294 54.349 52.037 0.029 0.000 0.616 112 A CB -0.898 18.228 19.000 0.210 0.000 0.823 112 A HN 0.868 nan 8.150 nan 0.000 0.442 113 A N -0.205 122.470 122.820 -0.241 0.000 1.908 113 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 113 A C 2.153 179.414 177.584 -0.539 0.000 1.181 113 A CA 2.078 53.896 52.037 -0.364 0.000 0.627 113 A CB -0.472 18.228 19.000 -0.500 0.000 0.818 113 A HN 0.569 nan 8.150 nan 0.000 0.445 114 K N -1.301 118.679 120.400 -0.701 0.000 2.057 114 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 114 K C 2.043 178.450 176.600 -0.320 0.000 1.049 114 K CA 1.844 57.776 56.287 -0.592 0.000 0.931 114 K CB -0.244 31.803 32.500 -0.755 0.000 0.714 114 K HN 0.362 nan 8.250 nan 0.000 0.440 115 M N 1.323 120.774 119.600 -0.249 0.000 2.159 115 M HA -0.084 4.396 4.480 -0.000 0.000 0.263 115 M C 1.617 177.850 176.300 -0.112 0.000 1.063 115 M CA 1.468 56.698 55.300 -0.117 0.000 1.110 115 M CB -0.104 32.489 32.600 -0.012 0.000 1.374 115 M HN 0.219 nan 8.290 nan 0.000 0.411 116 I N -1.252 119.187 120.570 -0.218 0.000 2.202 116 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 116 I C 1.662 177.590 176.117 -0.316 0.000 1.091 116 I CA 1.167 62.274 61.300 -0.321 0.000 1.368 116 I CB -0.532 37.142 38.000 -0.544 0.000 1.058 116 I HN 0.130 nan 8.210 nan 0.000 0.410 117 F N 0.750 120.417 119.950 -0.473 0.000 2.502 117 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 117 F C 2.643 178.256 175.800 -0.311 0.000 1.111 117 F CA 0.739 58.413 58.000 -0.543 0.000 1.445 117 F CB -0.535 37.740 39.000 -1.208 0.000 1.081 117 F HN -0.060 nan 8.300 nan 0.000 0.558 118 S N -0.695 114.979 115.700 -0.043 0.000 2.402 118 S HA -0.153 4.316 4.470 -0.000 0.000 0.229 118 S C 1.450 176.121 174.600 0.117 0.000 1.021 118 S CA 1.397 59.641 58.200 0.074 0.000 0.974 118 S CB -0.118 63.096 63.200 0.023 0.000 0.800 118 S HN 0.362 nan 8.310 nan 0.000 0.484 119 D N 0.080 120.522 120.400 0.070 0.000 2.441 119 D HA 0.153 4.793 4.640 -0.000 0.000 0.210 119 D C -0.004 176.372 176.300 0.126 0.000 1.102 119 D CA 0.192 54.279 54.000 0.144 0.000 0.840 119 D CB 0.285 41.139 40.800 0.091 0.000 0.990 119 D HN 0.145 nan 8.370 nan 0.000 0.505 120 N N 0.634 119.313 118.700 -0.035 0.000 2.621 120 N HA 0.156 4.895 4.740 -0.000 0.000 0.271 120 N C -2.382 172.931 175.510 -0.329 0.000 1.181 120 N CA -1.431 51.543 53.050 -0.127 0.000 0.805 120 N CB 2.221 40.581 38.487 -0.213 0.000 1.351 120 N HN -0.310 nan 8.380 nan 0.000 0.539 121 P HA -0.048 nan 4.420 nan 0.000 0.220 121 P C 0.431 177.601 177.300 -0.218 0.000 1.144 121 P CA 0.934 63.956 63.100 -0.130 0.000 0.800 121 P CB 0.397 32.055 31.700 -0.070 0.000 0.772 122 L N -1.444 119.609 121.223 -0.284 0.000 3.108 122 L HA 0.344 4.684 4.340 -0.000 0.000 0.251 122 L C 1.861 178.485 176.870 -0.409 0.000 1.315 122 L CA 0.041 54.732 54.840 -0.249 0.000 1.048 122 L CB -0.813 41.181 42.059 -0.108 0.000 1.432 122 L HN -0.093 nan 8.230 nan 0.000 0.543 123 G N 0.098 108.323 108.800 -0.958 0.000 2.553 123 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 123 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 123 G C 1.478 176.145 174.900 -0.388 0.000 1.195 123 G CA 1.030 45.579 45.100 -0.918 0.000 0.779 123 G HN 0.376 nan 8.290 nan 0.000 0.577 124 L N 0.814 121.965 121.223 -0.120 0.000 2.042 124 L HA -0.028 4.311 4.340 -0.000 0.000 0.210 124 L C 2.932 179.819 176.870 0.029 0.000 1.076 124 L CA 2.687 57.587 54.840 0.100 0.000 0.749 124 L CB -1.109 41.169 42.059 0.364 0.000 0.893 124 L HN 0.233 nan 8.230 nan 0.000 0.432 125 T N -1.297 113.261 114.554 0.007 0.000 2.668 125 T HA -0.204 4.146 4.350 -0.000 0.000 0.262 125 T C 1.990 176.674 174.700 -0.026 0.000 1.045 125 T CA 1.752 63.851 62.100 -0.002 0.000 1.152 125 T CB -0.660 68.204 68.868 -0.006 0.000 0.864 125 T HN 0.485 nan 8.240 nan 0.000 0.419 126 C N 1.426 120.688 119.300 -0.063 0.000 2.401 126 C HA -0.040 4.420 4.460 -0.000 0.000 0.276 126 C C 3.030 177.997 174.990 -0.038 0.000 1.233 126 C CA 0.584 59.569 59.018 -0.054 0.000 1.753 126 C CB -1.607 26.084 27.740 -0.082 0.000 2.029 126 C HN 0.754 nan 8.230 nan 0.000 0.478 127 G N -0.628 108.141 108.800 -0.052 0.000 2.479 127 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 127 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 127 G C 1.549 176.456 174.900 0.013 0.000 1.115 127 G CA 0.653 45.742 45.100 -0.018 0.000 0.757 127 G HN 0.553 nan 8.290 nan 0.000 0.560 128 M N -0.222 119.384 119.600 0.010 0.000 2.534 128 M HA 0.113 4.593 4.480 -0.000 0.000 0.263 128 M C 2.293 178.604 176.300 0.018 0.000 1.152 128 M CA 0.654 55.968 55.300 0.024 0.000 1.145 128 M CB 0.693 33.309 32.600 0.027 0.000 1.333 128 M HN 0.212 nan 8.290 nan 0.000 0.477 129 V N -4.380 115.538 119.914 0.007 0.000 3.570 129 V HA 0.199 4.319 4.120 -0.000 0.000 0.257 129 V C 0.947 177.041 176.094 -0.001 0.000 1.272 129 V CA -0.540 61.761 62.300 0.003 0.000 1.079 129 V CB -0.627 31.195 31.823 -0.002 0.000 0.829 129 V HN 0.253 nan 8.190 nan 0.000 0.454 130 C N 4.826 124.125 119.300 -0.002 0.000 2.437 130 C HA 0.187 4.647 4.460 -0.000 0.000 0.399 130 C C -1.048 173.941 174.990 -0.002 0.000 1.478 130 C CA 0.161 59.178 59.018 -0.002 0.000 1.538 130 C CB -0.040 27.700 27.740 -0.001 0.000 2.506 130 C HN 0.536 nan 8.230 nan 0.000 0.603 131 P HA 0.048 nan 4.420 nan 0.000 0.225 131 P C 1.159 178.453 177.300 -0.011 0.000 1.768 131 P CA 0.419 63.509 63.100 -0.016 0.000 0.943 131 P CB -0.349 31.336 31.700 -0.024 0.000 1.936 132 T N -1.303 113.251 114.554 0.000 0.000 2.736 132 T HA -0.318 4.032 4.350 -0.000 0.000 0.265 132 T C 1.869 176.568 174.700 -0.003 0.000 1.031 132 T CA 2.318 64.421 62.100 0.006 0.000 1.155 132 T CB -1.525 67.356 68.868 0.023 0.000 0.849 132 T HN 0.352 nan 8.240 nan 0.000 0.471 133 S N 1.421 117.118 115.700 -0.006 0.000 2.419 133 S HA -0.165 4.305 4.470 -0.000 0.000 0.235 133 S C 1.720 176.299 174.600 -0.035 0.000 1.019 133 S CA 1.546 59.737 58.200 -0.014 0.000 0.982 133 S CB -0.596 62.596 63.200 -0.013 0.000 0.789 133 S HN 0.643 nan 8.310 nan 0.000 0.490 134 D N -0.273 120.108 120.400 -0.032 0.000 2.369 134 D HA 0.351 4.990 4.640 -0.000 0.000 0.211 134 D C 0.866 177.149 176.300 -0.030 0.000 1.077 134 D CA 0.074 54.052 54.000 -0.037 0.000 0.842 134 D CB 0.187 40.965 40.800 -0.036 0.000 0.947 134 D HN 0.452 nan 8.370 nan 0.000 0.509 135 L N -0.944 120.266 121.223 -0.022 0.000 2.679 135 L HA 0.220 4.560 4.340 -0.000 0.000 0.217 135 L C 2.505 179.365 176.870 -0.016 0.000 1.659 135 L CA -0.154 54.678 54.840 -0.014 0.000 2.908 135 L CB -0.836 41.219 42.059 -0.005 0.000 2.698 135 L HN 0.063 nan 8.230 nan 0.000 0.828 136 C N -0.416 118.879 119.300 -0.007 0.000 2.413 136 C HA -0.100 4.360 4.460 -0.000 0.000 0.277 136 C C 2.398 177.381 174.990 -0.011 0.000 1.228 136 C CA 0.413 59.425 59.018 -0.009 0.000 1.731 136 C CB -1.164 26.579 27.740 0.006 0.000 2.042 136 C HN 0.472 nan 8.230 nan 0.000 0.468 137 V N 2.179 122.094 119.914 0.000 0.000 2.867 137 V HA 0.003 4.122 4.120 -0.000 0.000 0.260 137 V C 2.901 178.988 176.094 -0.012 0.000 1.099 137 V CA 2.029 64.335 62.300 0.010 0.000 1.122 137 V CB -1.423 30.418 31.823 0.031 0.000 0.708 137 V HN 0.814 nan 8.190 nan 0.000 0.490 138 G N 0.021 108.795 108.800 -0.043 0.000 2.448 138 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.219 138 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.219 138 G C 1.362 176.189 174.900 -0.122 0.000 1.127 138 G CA 0.818 45.858 45.100 -0.100 0.000 0.766 138 G HN 0.615 nan 8.290 nan 0.000 0.552 139 G N -1.073 107.686 108.800 -0.068 0.000 3.159 139 G HA2 0.163 4.123 3.960 -0.000 0.000 0.232 139 G HA3 0.163 4.123 3.960 -0.000 0.000 0.232 139 G C 0.476 175.360 174.900 -0.026 0.000 1.116 139 G CA 0.072 45.137 45.100 -0.058 0.000 0.767 139 G HN 0.401 nan 8.290 nan 0.000 0.547 140 C N 1.794 121.091 119.300 -0.004 0.000 2.519 140 C HA 0.059 4.519 4.460 -0.000 0.000 0.402 140 C C 1.967 176.994 174.990 0.062 0.000 1.475 140 C CA -0.400 58.635 59.018 0.027 0.000 1.504 140 C CB -0.843 26.929 27.740 0.053 0.000 2.454 140 C HN 0.473 nan 8.230 nan 0.000 0.615 141 N N 3.235 121.956 118.700 0.034 0.000 2.094 141 N HA -0.127 4.613 4.740 -0.000 0.000 0.191 141 N C 1.472 177.021 175.510 0.065 0.000 1.023 141 N CA 1.456 54.532 53.050 0.043 0.000 0.857 141 N CB -0.222 38.275 38.487 0.017 0.000 1.013 141 N HN 0.794 nan 8.380 nan 0.000 0.426 142 L N 0.234 121.488 121.223 0.051 0.000 2.642 142 L HA -0.145 4.195 4.340 -0.000 0.000 0.236 142 L C 1.643 178.542 176.870 0.048 0.000 1.169 142 L CA 0.341 55.202 54.840 0.036 0.000 0.851 142 L CB -0.470 41.598 42.059 0.015 0.000 0.968 142 L HN 0.228 nan 8.230 nan 0.000 0.453 143 Y N 0.529 120.821 120.300 -0.013 0.000 2.509 143 Y HA -0.044 4.506 4.550 -0.000 0.000 0.293 143 Y C 2.087 177.980 175.900 -0.012 0.000 1.133 143 Y CA 0.760 58.853 58.100 -0.011 0.000 1.283 143 Y CB 0.156 38.610 38.460 -0.011 0.000 1.001 143 Y HN 0.123 nan 8.280 nan 0.000 0.555 144 A N 0.471 123.339 122.820 0.080 0.000 2.412 144 A HA 0.265 4.585 4.320 -0.000 0.000 0.253 144 A C 0.475 178.035 177.584 -0.039 0.000 1.334 144 A CA 0.552 52.606 52.037 0.028 0.000 0.929 144 A CB -1.230 17.806 19.000 0.059 0.000 0.983 144 A HN 0.360 nan 8.150 nan 0.000 0.508 145 T N -5.189 109.312 114.554 -0.088 0.000 2.906 145 T HA 0.517 4.867 4.350 -0.000 0.000 0.295 145 T C 0.335 174.961 174.700 -0.123 0.000 1.075 145 T CA -0.477 61.573 62.100 -0.082 0.000 1.005 145 T CB 1.342 70.176 68.868 -0.056 0.000 1.136 145 T HN 0.052 nan 8.240 nan 0.000 0.498 146 E N 0.605 120.748 120.200 -0.096 0.000 2.153 146 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 146 E C 2.117 178.656 176.600 -0.102 0.000 0.988 146 E CA 1.453 57.792 56.400 -0.101 0.000 0.811 146 E CB -0.031 29.626 29.700 -0.071 0.000 0.746 146 E HN 0.802 nan 8.360 nan 0.000 0.466 147 E N 0.347 120.500 120.200 -0.079 0.000 2.204 147 E HA -0.028 4.322 4.350 -0.000 0.000 0.194 147 E C 1.152 177.705 176.600 -0.078 0.000 0.989 147 E CA 1.027 57.389 56.400 -0.064 0.000 0.824 147 E CB -0.380 29.296 29.700 -0.040 0.000 0.756 147 E HN 0.128 nan 8.360 nan 0.000 0.477 148 G N 0.427 109.161 108.800 -0.111 0.000 2.592 148 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.684 148 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.684 148 G C -0.511 174.369 174.900 -0.034 0.000 1.291 148 G CA -0.257 44.769 45.100 -0.124 0.000 0.891 148 G HN 0.226 nan 8.290 nan 0.000 0.544 149 S N -0.062 115.659 115.700 0.036 0.000 2.579 149 S HA 0.455 4.924 4.470 -0.000 0.000 0.275 149 S C 1.132 175.759 174.600 0.045 0.000 1.345 149 S CA -0.486 57.765 58.200 0.084 0.000 1.031 149 S CB 0.513 63.811 63.200 0.164 0.000 0.892 149 S HN 0.599 nan 8.310 nan 0.000 0.529 150 I N 3.070 123.658 120.570 0.031 0.000 2.556 150 I HA 0.037 4.207 4.170 -0.000 0.000 0.284 150 I C 0.927 177.061 176.117 0.029 0.000 1.114 150 I CA -0.207 61.103 61.300 0.016 0.000 1.418 150 I CB -0.260 37.735 38.000 -0.008 0.000 1.394 150 I HN 0.575 nan 8.210 nan 0.000 0.552 151 N N 6.949 125.669 118.700 0.033 0.000 2.892 151 N HA 0.057 4.797 4.740 -0.000 0.000 0.300 151 N C 1.105 176.656 175.510 0.068 0.000 1.211 151 N CA 0.116 53.195 53.050 0.050 0.000 1.158 151 N CB -0.187 38.328 38.487 0.047 0.000 1.455 151 N HN 0.516 nan 8.380 nan 0.000 0.524 152 I N 0.061 120.671 120.570 0.066 0.000 2.151 152 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 152 I C 2.362 178.581 176.117 0.171 0.000 1.080 152 I CA 1.399 62.764 61.300 0.108 0.000 1.339 152 I CB -0.646 37.402 38.000 0.081 0.000 1.039 152 I HN 0.483 nan 8.210 nan 0.000 0.409 153 G N 0.833 109.701 108.800 0.113 0.000 2.514 153 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 153 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 153 G C 1.720 176.681 174.900 0.103 0.000 1.198 153 G CA 1.051 46.209 45.100 0.096 0.000 0.780 153 G HN 0.512 nan 8.290 nan 0.000 0.565 154 G N 0.573 109.432 108.800 0.099 0.000 2.418 154 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.217 154 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.217 154 G C 1.843 176.831 174.900 0.146 0.000 1.158 154 G CA 0.738 45.899 45.100 0.102 0.000 0.771 154 G HN 0.420 nan 8.290 nan 0.000 0.545 155 L N -0.087 121.240 121.223 0.174 0.000 2.042 155 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 155 L C 3.008 180.068 176.870 0.316 0.000 1.076 155 L CA 1.768 56.766 54.840 0.263 0.000 0.749 155 L CB -0.390 41.840 42.059 0.284 0.000 0.893 155 L HN 0.369 nan 8.230 nan 0.000 0.432 156 Q N -0.218 119.724 119.800 0.236 0.000 2.079 156 Q HA -0.280 4.060 4.340 -0.000 0.000 0.200 156 Q C 2.236 178.221 176.000 -0.025 0.000 0.974 156 Q CA 1.698 57.463 55.803 -0.062 0.000 0.840 156 Q CB -0.061 28.604 28.738 -0.122 0.000 0.898 156 Q HN 0.453 nan 8.270 nan 0.000 0.430 157 Q N -0.469 119.361 119.800 0.049 0.000 2.045 157 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 157 Q C 1.920 177.950 176.000 0.051 0.000 0.991 157 Q CA 1.956 57.788 55.803 0.049 0.000 0.851 157 Q CB -0.330 28.450 28.738 0.070 0.000 0.911 157 Q HN 0.486 nan 8.270 nan 0.000 0.418 158 F N 0.671 120.599 119.950 -0.036 0.000 2.043 158 F HA -0.255 4.272 4.527 -0.000 0.000 0.297 158 F C 2.096 177.832 175.800 -0.106 0.000 1.121 158 F CA 1.928 59.874 58.000 -0.089 0.000 1.199 158 F CB -0.785 38.153 39.000 -0.103 0.000 0.968 158 F HN 0.166 nan 8.300 nan 0.000 0.478 159 A N -0.467 122.272 122.820 -0.135 0.000 1.908 159 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 159 A C 2.340 179.846 177.584 -0.130 0.000 1.181 159 A CA 2.234 54.168 52.037 -0.171 0.000 0.627 159 A CB -1.328 17.709 19.000 0.061 0.000 0.818 159 A HN 0.496 nan 8.150 nan 0.000 0.445 160 S N -0.322 115.353 115.700 -0.041 0.000 2.368 160 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 160 S C 1.885 176.473 174.600 -0.021 0.000 1.029 160 S CA 1.225 59.507 58.200 0.137 0.000 0.988 160 S CB -0.306 63.039 63.200 0.242 0.000 0.838 160 S HN 0.617 nan 8.310 nan 0.000 0.462 161 E N 0.876 120.979 120.200 -0.163 0.000 2.077 161 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 161 E C 2.261 178.679 176.600 -0.303 0.000 0.989 161 E CA 0.992 57.238 56.400 -0.257 0.000 0.800 161 E CB -0.417 29.146 29.700 -0.227 0.000 0.746 161 E HN 0.326 nan 8.360 nan 0.000 0.452 162 V N 1.368 121.036 119.914 -0.410 0.000 2.343 162 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 162 V C 2.142 178.250 176.094 0.025 0.000 1.051 162 V CA 1.700 63.814 62.300 -0.310 0.000 1.036 162 V CB -0.598 30.897 31.823 -0.546 0.000 0.654 162 V HN 0.170 nan 8.190 nan 0.000 0.451 163 F N 1.561 121.437 119.950 -0.122 0.000 2.134 163 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 163 F C 2.429 178.136 175.800 -0.155 0.000 1.097 163 F CA 2.208 60.181 58.000 -0.044 0.000 1.264 163 F CB -0.468 38.497 39.000 -0.058 0.000 1.001 163 F HN 0.058 nan 8.300 nan 0.000 0.479 164 K N 0.341 120.375 120.400 -0.610 0.000 2.097 164 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 164 K C 2.174 178.415 176.600 -0.597 0.000 1.049 164 K CA 1.249 56.914 56.287 -1.036 0.000 0.933 164 K CB -0.433 31.200 32.500 -1.446 0.000 0.717 164 K HN 0.302 nan 8.250 nan 0.000 0.442 165 A N 1.142 123.780 122.820 -0.303 0.000 1.972 165 A HA -0.125 4.194 4.320 -0.000 0.000 0.219 165 A C 2.034 179.575 177.584 -0.072 0.000 1.169 165 A CA 1.522 53.517 52.037 -0.070 0.000 0.635 165 A CB -0.451 18.656 19.000 0.179 0.000 0.810 165 A HN 0.379 nan 8.150 nan 0.000 0.446 166 M N -0.894 118.655 119.600 -0.085 0.000 2.374 166 M HA -0.053 4.427 4.480 -0.000 0.000 0.264 166 M C -0.072 175.979 176.300 -0.415 0.000 1.067 166 M CA 0.551 55.725 55.300 -0.210 0.000 1.103 166 M CB -0.459 32.131 32.600 -0.018 0.000 1.402 166 M HN 0.408 nan 8.290 nan 0.000 0.444 167 N N 2.032 120.385 118.700 -0.579 0.000 2.648 167 N HA -0.146 4.594 4.740 -0.000 0.000 0.265 167 N C -1.239 174.026 175.510 -0.409 0.000 1.100 167 N CA 0.710 53.343 53.050 -0.696 0.000 0.715 167 N CB -0.935 36.675 38.487 -1.462 0.000 0.881 167 N HN 0.373 nan 8.380 nan 0.000 0.548 168 I N 1.502 121.880 120.570 -0.320 0.000 2.474 168 I HA 0.437 4.607 4.170 -0.000 0.000 0.294 168 I C -1.783 174.295 176.117 -0.065 0.000 1.005 168 I CA -1.726 59.506 61.300 -0.114 0.000 1.113 168 I CB 2.189 40.187 38.000 -0.002 0.000 1.289 168 I HN -0.004 nan 8.210 nan 0.000 0.436 169 P HA 0.224 nan 4.420 nan 0.000 0.281 169 P C -1.438 175.861 177.300 -0.002 0.000 1.264 169 P CA -0.650 62.447 63.100 -0.005 0.000 0.824 169 P CB 1.339 33.032 31.700 -0.012 0.000 1.092 170 Q N 0.609 120.383 119.800 -0.044 0.000 2.221 170 Q HA 0.602 4.942 4.340 -0.000 0.000 0.242 170 Q C -0.396 175.513 176.000 -0.153 0.000 0.940 170 Q CA -0.723 54.966 55.803 -0.191 0.000 0.896 170 Q CB 0.678 29.294 28.738 -0.204 0.000 1.226 170 Q HN 0.511 nan 8.270 nan 0.000 0.463 171 I N -1.520 118.935 120.570 -0.192 0.000 2.913 171 I HA 0.537 4.707 4.170 -0.000 0.000 0.302 171 I C -0.955 175.073 176.117 -0.148 0.000 1.246 171 I CA -1.370 59.853 61.300 -0.128 0.000 1.010 171 I CB 2.043 39.987 38.000 -0.093 0.000 1.259 171 I HN 0.569 nan 8.210 nan 0.000 0.434 172 R N 2.142 122.558 120.500 -0.140 0.000 2.738 172 R HA 0.131 4.471 4.340 -0.000 0.000 0.268 172 R C 0.195 176.323 176.300 -0.287 0.000 1.062 172 R CA -0.657 55.339 56.100 -0.173 0.000 1.158 172 R CB 0.030 30.242 30.300 -0.146 0.000 1.046 172 R HN 0.629 nan 8.270 nan 0.000 0.493 173 N N 3.200 121.653 118.700 -0.412 0.000 2.294 173 N HA -0.058 4.682 4.740 -0.000 0.000 0.263 173 N C -1.471 173.764 175.510 -0.459 0.000 1.281 173 N CA -1.042 51.556 53.050 -0.755 0.000 0.846 173 N CB 0.709 38.828 38.487 -0.614 0.000 1.061 173 N HN 0.396 nan 8.380 nan 0.000 0.478 174 P HA -0.044 nan 4.420 nan 0.000 0.228 174 P C 0.823 178.022 177.300 -0.168 0.000 1.151 174 P CA 0.659 63.630 63.100 -0.214 0.000 0.770 174 P CB 0.144 31.765 31.700 -0.132 0.000 0.786 175 C N -0.906 118.274 119.300 -0.200 0.000 2.563 175 C HA 0.203 4.663 4.460 -0.000 0.000 0.268 175 C C 1.595 176.509 174.990 -0.126 0.000 1.365 175 C CA -0.380 58.561 59.018 -0.128 0.000 1.754 175 C CB -1.276 26.404 27.740 -0.099 0.000 1.932 175 C HN 0.160 nan 8.230 nan 0.000 0.536 176 L N 1.831 122.954 121.223 -0.165 0.000 2.483 176 L HA 0.161 4.500 4.340 -0.000 0.000 0.276 176 L C -1.853 174.930 176.870 -0.144 0.000 1.213 176 L CA -0.961 53.780 54.840 -0.164 0.000 0.843 176 L CB 0.110 42.051 42.059 -0.197 0.000 1.107 176 L HN 0.018 nan 8.230 nan 0.000 0.487 177 P HA 0.027 nan 4.420 nan 0.000 0.270 177 P C -0.777 176.447 177.300 -0.127 0.000 1.223 177 P CA -0.406 62.619 63.100 -0.125 0.000 0.785 177 P CB 0.556 32.175 31.700 -0.135 0.000 0.923 178 S N 1.110 116.752 115.700 -0.096 0.000 2.573 178 S HA -0.023 4.447 4.470 -0.000 0.000 0.277 178 S C 1.386 175.930 174.600 -0.094 0.000 1.346 178 S CA -0.229 57.919 58.200 -0.086 0.000 1.034 178 S CB 0.584 63.746 63.200 -0.062 0.000 0.879 178 S HN 0.407 nan 8.310 nan 0.000 0.528 179 Q N 1.753 121.502 119.800 -0.085 0.000 2.084 179 Q HA -0.281 4.059 4.340 -0.000 0.000 0.215 179 Q C 1.680 177.637 176.000 -0.072 0.000 1.020 179 Q CA 2.954 58.709 55.803 -0.080 0.000 0.887 179 Q CB -0.756 27.949 28.738 -0.055 0.000 0.975 179 Q HN 0.966 nan 8.270 nan 0.000 0.413 180 E N -0.208 119.960 120.200 -0.054 0.000 2.150 180 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 180 E C 1.417 177.988 176.600 -0.048 0.000 0.985 180 E CA 1.252 57.627 56.400 -0.042 0.000 0.814 180 E CB -0.065 29.616 29.700 -0.031 0.000 0.752 180 E HN 0.363 nan 8.360 nan 0.000 0.466 181 K N -0.002 120.361 120.400 -0.062 0.000 2.487 181 K HA 0.104 4.424 4.320 -0.000 0.000 0.192 181 K C 0.160 176.708 176.600 -0.087 0.000 1.027 181 K CA 0.187 56.436 56.287 -0.063 0.000 1.054 181 K CB 0.130 32.593 32.500 -0.062 0.000 0.824 181 K HN 0.175 nan 8.250 nan 0.000 0.510 182 M N 1.957 121.489 119.600 -0.114 0.000 2.217 182 M HA 0.205 4.685 4.480 -0.000 0.000 0.354 182 M C -2.140 174.116 176.300 -0.074 0.000 1.225 182 M CA -2.542 52.654 55.300 -0.173 0.000 1.137 182 M CB -0.188 32.263 32.600 -0.250 0.000 1.576 182 M HN -0.195 nan 8.290 nan 0.000 0.461 183 P HA -0.039 nan 4.420 nan 0.000 0.270 183 P C 0.756 178.071 177.300 0.025 0.000 1.216 183 P CA 0.058 63.190 63.100 0.054 0.000 0.788 183 P CB 0.620 32.407 31.700 0.145 0.000 0.883 184 E N 1.366 121.541 120.200 -0.042 0.000 2.038 184 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 184 E C 1.917 178.293 176.600 -0.374 0.000 1.000 184 E CA 1.415 57.750 56.400 -0.108 0.000 0.803 184 E CB -0.544 29.151 29.700 -0.008 0.000 0.750 184 E HN 0.460 nan 8.360 nan 0.000 0.448 185 A N 0.406 122.771 122.820 -0.760 0.000 1.969 185 A HA -0.265 4.055 4.320 -0.000 0.000 0.223 185 A C 1.884 178.997 177.584 -0.784 0.000 1.218 185 A CA 2.119 53.320 52.037 -1.393 0.000 0.667 185 A CB -1.381 17.063 19.000 -0.928 0.000 0.826 185 A HN 0.545 nan 8.150 nan 0.000 0.472 186 Y N 0.833 120.849 120.300 -0.473 0.000 2.639 186 Y HA -0.056 4.494 4.550 -0.000 0.000 0.297 186 Y C 2.476 178.255 175.900 -0.201 0.000 1.151 186 Y CA 1.067 58.868 58.100 -0.497 0.000 1.335 186 Y CB -0.153 38.000 38.460 -0.511 0.000 0.994 186 Y HN 0.466 nan 8.280 nan 0.000 0.548 187 S N -1.218 114.456 115.700 -0.043 0.000 2.557 187 S HA 0.454 4.924 4.470 -0.000 0.000 0.223 187 S C 0.974 175.630 174.600 0.094 0.000 0.969 187 S CA -0.237 57.987 58.200 0.041 0.000 0.927 187 S CB -0.280 62.933 63.200 0.021 0.000 0.806 187 S HN 0.213 nan 8.310 nan 0.000 0.489 188 A N 2.100 124.986 122.820 0.109 0.000 2.520 188 A HA 0.286 4.606 4.320 -0.000 0.000 0.235 188 A C 0.245 177.978 177.584 0.248 0.000 1.065 188 A CA -0.132 52.033 52.037 0.213 0.000 0.764 188 A CB 0.012 19.188 19.000 0.293 0.000 1.002 188 A HN 0.507 nan 8.150 nan 0.000 0.502 189 K N 1.639 122.186 120.400 0.245 0.000 2.349 189 K HA 0.367 4.687 4.320 -0.000 0.000 0.289 189 K C -0.803 176.098 176.600 0.501 0.000 1.064 189 K CA 0.513 56.996 56.287 0.327 0.000 0.947 189 K CB 0.396 32.981 32.500 0.142 0.000 1.007 189 K HN 0.567 nan 8.250 nan 0.000 0.478 190 I N 2.192 122.992 120.570 0.383 0.000 2.460 190 I HA 0.435 4.605 4.170 -0.000 0.000 0.298 190 I C -0.282 175.923 176.117 0.147 0.000 0.989 190 I CA -0.743 60.716 61.300 0.265 0.000 1.173 190 I CB 1.934 40.006 38.000 0.119 0.000 1.338 190 I HN 0.585 nan 8.210 nan 0.000 0.456 191 A N 6.593 129.430 122.820 0.028 0.000 2.393 191 A HA 0.889 5.209 4.320 -0.000 0.000 0.306 191 A C -1.369 176.224 177.584 0.016 0.000 1.050 191 A CA -0.414 51.549 52.037 -0.124 0.000 0.724 191 A CB 1.245 19.977 19.000 -0.446 0.000 1.248 191 A HN 0.518 nan 8.150 nan 0.000 0.424 192 L N 2.247 123.477 121.223 0.011 0.000 2.386 192 L HA 0.531 4.871 4.340 -0.000 0.000 0.271 192 L C -0.737 176.188 176.870 0.093 0.000 0.993 192 L CA -0.332 54.570 54.840 0.103 0.000 0.819 192 L CB 1.884 44.042 42.059 0.166 0.000 1.294 192 L HN 0.506 nan 8.230 nan 0.000 0.414 193 L N 2.942 124.201 121.223 0.059 0.000 2.272 193 L HA 0.738 5.078 4.340 -0.000 0.000 0.289 193 L C 0.476 177.363 176.870 0.027 0.000 1.032 193 L CA -0.176 54.702 54.840 0.063 0.000 0.810 193 L CB 0.575 42.635 42.059 0.001 0.000 1.205 193 L HN 0.796 nan 8.230 nan 0.000 0.422 194 G N 3.055 111.891 108.800 0.061 0.000 3.409 194 G HA2 0.026 3.986 3.960 -0.000 0.000 0.686 194 G HA3 0.026 3.986 3.960 -0.000 0.000 0.686 194 G C 0.024 174.967 174.900 0.072 0.000 1.017 194 G CA -0.323 44.807 45.100 0.051 0.000 0.854 194 G HN 0.972 nan 8.290 nan 0.000 0.508 195 A N 2.005 124.868 122.820 0.072 0.000 3.135 195 A HA 0.727 5.047 4.320 -0.000 0.000 0.253 195 A C 1.295 178.938 177.584 0.097 0.000 1.638 195 A CA 1.052 53.137 52.037 0.079 0.000 1.295 195 A CB -0.291 18.751 19.000 0.070 0.000 1.106 195 A HN 2.080 nan 8.150 nan 0.000 0.648 196 G N -0.237 108.625 108.800 0.103 0.000 2.552 196 G HA2 0.513 4.473 3.960 -0.000 0.000 0.324 196 G HA3 0.513 4.473 3.960 -0.000 0.000 0.324 196 G C -1.620 173.344 174.900 0.106 0.000 1.217 196 G CA -1.686 43.475 45.100 0.103 0.000 0.989 196 G HN 0.112 nan 8.290 nan 0.000 0.490 197 P HA -0.301 nan 4.420 nan 0.000 0.218 197 P C 2.228 179.594 177.300 0.110 0.000 1.165 197 P CA 2.903 66.049 63.100 0.078 0.000 0.922 197 P CB 0.158 31.895 31.700 0.062 0.000 0.794 198 A N -0.873 122.041 122.820 0.155 0.000 1.859 198 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 198 A C 2.377 180.139 177.584 0.297 0.000 1.209 198 A CA 3.020 55.209 52.037 0.253 0.000 0.639 198 A CB -1.696 17.516 19.000 0.354 0.000 0.835 198 A HN 0.210 nan 8.150 nan 0.000 0.450 199 S N -0.160 115.773 115.700 0.387 0.000 2.368 199 S HA -0.108 4.362 4.470 -0.000 0.000 0.225 199 S C 1.817 176.496 174.600 0.131 0.000 1.030 199 S CA 1.526 59.933 58.200 0.345 0.000 0.999 199 S CB -0.582 62.790 63.200 0.287 0.000 0.844 199 S HN 0.515 nan 8.310 nan 0.000 0.459 200 I N 1.334 121.966 120.570 0.103 0.000 2.226 200 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 200 I C 2.714 178.858 176.117 0.044 0.000 1.100 200 I CA 1.162 62.495 61.300 0.055 0.000 1.374 200 I CB -0.474 37.552 38.000 0.044 0.000 1.057 200 I HN 0.305 nan 8.210 nan 0.000 0.413 201 S N 0.127 115.868 115.700 0.068 0.000 2.344 201 S HA -0.271 4.199 4.470 -0.000 0.000 0.217 201 S C 2.363 177.060 174.600 0.162 0.000 1.033 201 S CA 1.739 60.015 58.200 0.127 0.000 1.017 201 S CB -0.716 62.565 63.200 0.136 0.000 0.941 201 S HN 0.621 nan 8.310 nan 0.000 0.430 202 C N 1.882 121.176 119.300 -0.010 0.000 2.359 202 C HA -0.134 4.326 4.460 -0.000 0.000 0.277 202 C C 3.055 178.016 174.990 -0.048 0.000 1.192 202 C CA 1.795 60.716 59.018 -0.162 0.000 1.759 202 C CB -1.879 25.447 27.740 -0.690 0.000 2.038 202 C HN 0.716 nan 8.230 nan 0.000 0.448 203 A N -0.153 122.639 122.820 -0.047 0.000 1.948 203 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 203 A C 2.310 179.894 177.584 -0.000 0.000 1.177 203 A CA 2.650 54.676 52.037 -0.018 0.000 0.636 203 A CB -1.058 17.940 19.000 -0.002 0.000 0.815 203 A HN 0.738 nan 8.150 nan 0.000 0.449 204 S N -0.721 114.973 115.700 -0.011 0.000 2.351 204 S HA -0.154 4.316 4.470 -0.000 0.000 0.220 204 S C 1.625 176.154 174.600 -0.119 0.000 1.035 204 S CA 1.697 59.847 58.200 -0.083 0.000 1.031 204 S CB -0.624 62.481 63.200 -0.159 0.000 0.928 204 S HN 0.566 nan 8.310 nan 0.000 0.433 205 F N 1.587 121.533 119.950 -0.006 0.000 2.134 205 F HA -0.050 4.477 4.527 -0.000 0.000 0.299 205 F C 2.139 177.947 175.800 0.012 0.000 1.097 205 F CA 0.832 58.836 58.000 0.006 0.000 1.264 205 F CB -0.600 38.388 39.000 -0.021 0.000 1.001 205 F HN 0.107 nan 8.300 nan 0.000 0.479 206 L N -0.492 120.811 121.223 0.133 0.000 2.042 206 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 206 L C 2.695 179.675 176.870 0.183 0.000 1.076 206 L CA 1.276 56.147 54.840 0.051 0.000 0.749 206 L CB -0.950 41.048 42.059 -0.101 0.000 0.893 206 L HN 0.173 nan 8.230 nan 0.000 0.432 207 A N -0.199 122.687 122.820 0.110 0.000 1.930 207 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 207 A C 2.343 179.973 177.584 0.076 0.000 1.175 207 A CA 1.195 53.294 52.037 0.104 0.000 0.627 207 A CB -0.406 18.616 19.000 0.037 0.000 0.815 207 A HN 0.322 nan 8.150 nan 0.000 0.443 208 R N -0.531 119.997 120.500 0.046 0.000 2.096 208 R HA -0.040 4.300 4.340 -0.000 0.000 0.235 208 R C 1.825 178.155 176.300 0.049 0.000 1.127 208 R CA 1.391 57.503 56.100 0.021 0.000 0.968 208 R CB -0.520 29.790 30.300 0.017 0.000 0.861 208 R HN 0.492 nan 8.270 nan 0.000 0.440 209 L N -0.840 120.462 121.223 0.131 0.000 2.362 209 L HA -0.055 4.285 4.340 -0.000 0.000 0.219 209 L C 1.556 178.473 176.870 0.079 0.000 1.134 209 L CA 1.163 56.082 54.840 0.131 0.000 0.807 209 L CB -0.055 42.106 42.059 0.171 0.000 0.927 209 L HN 0.590 nan 8.230 nan 0.000 0.447 210 G N -2.651 106.199 108.800 0.083 0.000 2.336 210 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.194 210 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.194 210 G C -0.028 174.888 174.900 0.027 0.000 0.999 210 G CA -0.640 44.404 45.100 -0.094 0.000 0.669 210 G HN 0.108 nan 8.290 nan 0.000 0.482 211 Y N 2.508 122.952 120.300 0.240 0.000 2.802 211 Y HA 0.263 4.813 4.550 -0.000 0.000 0.333 211 Y C 1.973 177.934 175.900 0.101 0.000 1.244 211 Y CA 0.984 59.202 58.100 0.197 0.000 1.558 211 Y CB 0.895 39.439 38.460 0.139 0.000 1.233 211 Y HN 0.279 nan 8.280 nan 0.000 0.547 212 S N -0.478 115.332 115.700 0.182 0.000 2.548 212 S HA 0.028 4.498 4.470 -0.000 0.000 0.215 212 S C 0.248 174.920 174.600 0.119 0.000 0.976 212 S CA 0.104 58.371 58.200 0.111 0.000 0.908 212 S CB 0.267 63.502 63.200 0.059 0.000 0.781 212 S HN 0.670 nan 8.310 nan 0.000 0.519 213 D N 1.456 121.955 120.400 0.165 0.000 2.441 213 D HA 0.420 5.060 4.640 -0.000 0.000 0.287 213 D C -1.188 175.212 176.300 0.168 0.000 1.198 213 D CA -0.330 53.762 54.000 0.152 0.000 0.894 213 D CB 0.318 41.213 40.800 0.158 0.000 1.070 213 D HN 0.361 nan 8.370 nan 0.000 0.499 214 I N 1.409 122.047 120.570 0.114 0.000 2.389 214 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 214 I C -0.003 176.113 176.117 -0.001 0.000 0.999 214 I CA -0.476 60.866 61.300 0.070 0.000 1.129 214 I CB 2.158 40.191 38.000 0.054 0.000 1.288 214 I HN -0.091 nan 8.210 nan 0.000 0.444 215 T N 6.813 121.322 114.554 -0.075 0.000 2.848 215 T HA 0.607 4.956 4.350 -0.000 0.000 0.285 215 T C -0.240 174.184 174.700 -0.459 0.000 0.995 215 T CA -0.395 61.538 62.100 -0.279 0.000 0.970 215 T CB 1.640 70.289 68.868 -0.365 0.000 0.976 215 T HN 0.276 nan 8.240 nan 0.000 0.441 216 I N 3.045 123.363 120.570 -0.419 0.000 2.354 216 I HA 0.412 4.582 4.170 -0.000 0.000 0.292 216 I C -0.834 175.048 176.117 -0.391 0.000 0.989 216 I CA -0.760 60.358 61.300 -0.303 0.000 1.188 216 I CB 1.086 39.028 38.000 -0.098 0.000 1.342 216 I HN 0.576 nan 8.210 nan 0.000 0.457 217 F N 4.500 124.453 119.950 0.005 0.000 2.313 217 F HA 0.297 4.824 4.527 -0.000 0.000 0.369 217 F C 0.514 176.309 175.800 -0.008 0.000 1.109 217 F CA -0.667 57.332 58.000 -0.002 0.000 1.132 217 F CB 0.894 39.884 39.000 -0.016 0.000 1.291 217 F HN 0.428 nan 8.300 nan 0.000 0.496 218 E N 3.712 123.999 120.200 0.145 0.000 2.197 218 E HA 0.168 4.518 4.350 -0.000 0.000 0.281 218 E C 0.830 177.447 176.600 0.028 0.000 0.995 218 E CA -0.385 56.053 56.400 0.063 0.000 0.808 218 E CB 1.382 31.096 29.700 0.024 0.000 1.093 218 E HN 0.530 nan 8.360 nan 0.000 0.394 219 K N 3.192 123.587 120.400 -0.009 0.000 1.985 219 K HA -0.107 4.213 4.320 -0.000 0.000 0.210 219 K C 0.454 176.988 176.600 -0.110 0.000 1.047 219 K CA 0.992 57.254 56.287 -0.041 0.000 0.932 219 K CB 0.058 32.533 32.500 -0.040 0.000 0.716 219 K HN 0.567 nan 8.250 nan 0.000 0.439 220 Q N 0.467 120.129 119.800 -0.230 0.000 2.697 220 Q HA -0.091 4.249 4.340 -0.000 0.000 0.196 220 Q C 1.122 176.918 176.000 -0.341 0.000 1.121 220 Q CA 0.727 56.280 55.803 -0.416 0.000 1.151 220 Q CB 0.337 28.474 28.738 -1.002 0.000 1.250 220 Q HN 0.539 nan 8.270 nan 0.000 0.658 221 E N -0.598 119.381 120.200 -0.369 0.000 2.474 221 E HA -0.029 4.321 4.350 -0.000 0.000 0.194 221 E C -0.414 176.140 176.600 -0.078 0.000 1.041 221 E CA 0.054 56.363 56.400 -0.152 0.000 0.874 221 E CB 0.062 29.725 29.700 -0.062 0.000 0.914 221 E HN 0.471 nan 8.360 nan 0.000 0.498 222 Y N -0.141 120.164 120.300 0.008 0.000 2.509 222 Y HA 0.598 5.148 4.550 -0.000 0.000 0.341 222 Y C -0.194 175.735 175.900 0.048 0.000 1.038 222 Y CA -2.032 56.077 58.100 0.014 0.000 1.089 222 Y CB 0.801 39.233 38.460 -0.047 0.000 1.241 222 Y HN -0.112 nan 8.280 nan 0.000 0.468 223 V N -1.066 119.058 119.914 0.351 0.000 3.093 223 V HA 0.960 5.080 4.120 -0.000 0.000 0.320 223 V C 0.690 176.958 176.094 0.291 0.000 1.093 223 V CA -0.413 62.044 62.300 0.262 0.000 1.016 223 V CB 0.859 32.779 31.823 0.161 0.000 1.096 223 V HN 1.780 nan 8.190 nan 0.000 0.452 224 G N -0.628 108.290 108.800 0.197 0.000 2.195 224 G HA2 0.195 4.155 3.960 -0.000 0.000 0.224 224 G HA3 0.195 4.155 3.960 -0.000 0.000 0.224 224 G C 1.568 176.552 174.900 0.139 0.000 0.990 224 G CA 0.453 45.645 45.100 0.153 0.000 0.639 224 G HN 2.878 nan 8.290 nan 0.000 0.514 225 G N -0.145 108.768 108.800 0.189 0.000 2.598 225 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.269 225 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.269 225 G C 1.145 176.106 174.900 0.101 0.000 1.289 225 G CA 0.402 45.599 45.100 0.162 0.000 0.926 225 G HN 1.251 nan 8.290 nan 0.000 0.567 226 L N -0.029 121.235 121.223 0.069 0.000 2.123 226 L HA -0.246 4.094 4.340 -0.000 0.000 0.217 226 L C 3.171 180.036 176.870 -0.008 0.000 1.081 226 L CA 2.409 57.262 54.840 0.023 0.000 0.772 226 L CB -0.585 41.489 42.059 0.024 0.000 0.890 226 L HN 0.615 nan 8.230 nan 0.000 0.437 227 S N -1.537 114.171 115.700 0.014 0.000 2.440 227 S HA -0.164 4.306 4.470 -0.000 0.000 0.238 227 S C 1.785 176.385 174.600 0.001 0.000 1.010 227 S CA 1.679 59.884 58.200 0.009 0.000 0.972 227 S CB -0.171 63.047 63.200 0.029 0.000 0.774 227 S HN 0.531 nan 8.310 nan 0.000 0.501 228 T N 0.770 115.310 114.554 -0.023 0.000 3.071 228 T HA 0.041 4.391 4.350 -0.000 0.000 0.239 228 T C 2.230 176.747 174.700 -0.305 0.000 0.997 228 T CA 0.800 62.839 62.100 -0.102 0.000 1.134 228 T CB -0.226 68.586 68.868 -0.093 0.000 0.928 228 T HN 0.552 nan 8.240 nan 0.000 0.453 229 S N 1.305 116.806 115.700 -0.331 0.000 2.447 229 S HA 0.032 4.502 4.470 -0.000 0.000 0.233 229 S C 1.536 176.014 174.600 -0.204 0.000 1.006 229 S CA 1.057 59.046 58.200 -0.351 0.000 0.957 229 S CB -0.104 62.991 63.200 -0.175 0.000 0.773 229 S HN 0.548 nan 8.310 nan 0.000 0.507 230 E N -0.277 119.838 120.200 -0.141 0.000 2.571 230 E HA 0.378 4.728 4.350 -0.000 0.000 0.204 230 E C -0.208 176.318 176.600 -0.123 0.000 0.851 230 E CA -0.297 56.034 56.400 -0.116 0.000 1.358 230 E CB 0.337 30.002 29.700 -0.058 0.000 1.327 230 E HN 0.377 nan 8.360 nan 0.000 0.665 231 I N 4.655 125.163 120.570 -0.104 0.000 2.742 231 I HA -0.016 4.153 4.170 -0.000 0.000 0.287 231 I C -2.246 173.750 176.117 -0.201 0.000 1.186 231 I CA -1.470 59.759 61.300 -0.118 0.000 1.417 231 I CB 0.066 38.020 38.000 -0.076 0.000 1.377 231 I HN -0.167 nan 8.210 nan 0.000 0.556 232 P HA -0.114 nan 4.420 nan 0.000 0.264 232 P C 0.236 177.254 177.300 -0.470 0.000 1.179 232 P CA 0.111 62.831 63.100 -0.634 0.000 0.763 232 P CB 0.530 31.382 31.700 -1.414 0.000 0.806 233 Q N 3.658 123.273 119.800 -0.309 0.000 2.170 233 Q HA -0.172 4.168 4.340 -0.000 0.000 0.203 233 Q C 1.236 177.261 176.000 0.041 0.000 0.976 233 Q CA 1.933 57.693 55.803 -0.072 0.000 0.858 233 Q CB -0.915 27.820 28.738 -0.005 0.000 0.907 233 Q HN 0.584 nan 8.270 nan 0.000 0.433 234 F N -1.762 118.304 119.950 0.194 0.000 2.771 234 F HA 0.293 4.820 4.527 -0.000 0.000 0.299 234 F C 1.403 177.246 175.800 0.072 0.000 1.177 234 F CA 0.156 58.230 58.000 0.124 0.000 1.450 234 F CB -0.081 38.965 39.000 0.077 0.000 1.114 234 F HN -0.027 nan 8.300 nan 0.000 0.587 235 R N -0.202 120.325 120.500 0.044 0.000 2.320 235 R HA 0.351 4.691 4.340 -0.000 0.000 0.193 235 R C -0.573 175.746 176.300 0.031 0.000 0.885 235 R CA -0.085 56.057 56.100 0.069 0.000 1.085 235 R CB 0.286 30.593 30.300 0.011 0.000 1.253 235 R HN 0.228 nan 8.270 nan 0.000 0.636 236 L N 2.620 123.834 121.223 -0.015 0.000 2.427 236 L HA 0.489 4.829 4.340 -0.000 0.000 0.264 236 L C -2.910 173.967 176.870 0.013 0.000 0.989 236 L CA -2.263 52.579 54.840 0.004 0.000 0.865 236 L CB 1.686 43.741 42.059 -0.008 0.000 1.209 236 L HN -0.182 nan 8.230 nan 0.000 0.430 237 P HA 0.008 nan 4.420 nan 0.000 0.264 237 P C -0.003 177.328 177.300 0.053 0.000 1.193 237 P CA 0.150 63.279 63.100 0.048 0.000 0.763 237 P CB 0.245 31.970 31.700 0.042 0.000 0.810 238 Y N 4.073 124.349 120.300 -0.039 0.000 2.241 238 Y HA -0.304 4.246 4.550 -0.000 0.000 0.286 238 Y C 1.871 177.771 175.900 -0.000 0.000 1.166 238 Y CA 1.852 59.928 58.100 -0.040 0.000 1.203 238 Y CB -0.567 37.850 38.460 -0.071 0.000 0.977 238 Y HN 0.384 nan 8.280 nan 0.000 0.529 239 D N -0.526 119.786 120.400 -0.146 0.000 2.182 239 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 239 D C 2.168 178.388 176.300 -0.134 0.000 0.986 239 D CA 1.340 55.236 54.000 -0.174 0.000 0.847 239 D CB 0.021 40.790 40.800 -0.052 0.000 0.942 239 D HN 0.335 nan 8.370 nan 0.000 0.467 240 V N 0.139 120.013 119.914 -0.066 0.000 2.307 240 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 240 V C 2.792 178.913 176.094 0.045 0.000 1.045 240 V CA 0.980 63.311 62.300 0.052 0.000 1.024 240 V CB -0.341 31.518 31.823 0.060 0.000 0.651 240 V HN 0.072 nan 8.190 nan 0.000 0.449 241 V N 0.615 120.469 119.914 -0.100 0.000 2.255 241 V HA -0.348 3.772 4.120 -0.000 0.000 0.247 241 V C 2.346 178.341 176.094 -0.164 0.000 1.051 241 V CA 2.612 64.841 62.300 -0.119 0.000 1.018 241 V CB -0.934 30.812 31.823 -0.128 0.000 0.641 241 V HN 0.689 nan 8.190 nan 0.000 0.445 242 N N -0.452 118.043 118.700 -0.341 0.000 2.094 242 N HA -0.255 4.485 4.740 -0.000 0.000 0.191 242 N C 2.037 177.508 175.510 -0.064 0.000 1.023 242 N CA 1.974 54.888 53.050 -0.226 0.000 0.857 242 N CB -0.196 38.113 38.487 -0.297 0.000 1.013 242 N HN 0.481 nan 8.380 nan 0.000 0.426 243 F N 2.265 122.127 119.950 -0.147 0.000 2.065 243 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 243 F C 2.055 177.830 175.800 -0.043 0.000 1.112 243 F CA 1.733 59.671 58.000 -0.103 0.000 1.212 243 F CB -0.651 38.289 39.000 -0.100 0.000 0.975 243 F HN 0.113 nan 8.300 nan 0.000 0.476 244 E N 0.161 120.088 120.200 -0.456 0.000 2.150 244 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 244 E C 2.378 178.837 176.600 -0.234 0.000 0.985 244 E CA 1.131 57.251 56.400 -0.467 0.000 0.814 244 E CB -0.147 29.448 29.700 -0.175 0.000 0.752 244 E HN 0.398 nan 8.360 nan 0.000 0.466 245 I N 1.658 122.144 120.570 -0.140 0.000 2.202 245 I HA -0.195 3.975 4.170 -0.000 0.000 0.242 245 I C 2.278 178.351 176.117 -0.075 0.000 1.091 245 I CA 1.220 62.476 61.300 -0.073 0.000 1.368 245 I CB -0.909 37.071 38.000 -0.033 0.000 1.058 245 I HN 0.085 nan 8.210 nan 0.000 0.410 246 E N 0.924 121.072 120.200 -0.087 0.000 2.058 246 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 246 E C 2.434 178.986 176.600 -0.079 0.000 0.997 246 E CA 0.862 57.224 56.400 -0.062 0.000 0.801 246 E CB -0.493 29.183 29.700 -0.039 0.000 0.746 246 E HN 0.448 nan 8.360 nan 0.000 0.450 247 L N 0.463 121.597 121.223 -0.149 0.000 2.051 247 L HA -0.249 4.091 4.340 -0.000 0.000 0.214 247 L C 2.728 179.572 176.870 -0.043 0.000 1.076 247 L CA 1.465 56.241 54.840 -0.107 0.000 0.758 247 L CB -0.377 41.566 42.059 -0.194 0.000 0.890 247 L HN 0.232 nan 8.230 nan 0.000 0.433 248 M N -0.099 119.470 119.600 -0.051 0.000 2.067 248 M HA -0.255 4.225 4.480 -0.000 0.000 0.260 248 M C 2.264 178.547 176.300 -0.027 0.000 1.069 248 M CA 1.843 57.124 55.300 -0.031 0.000 1.117 248 M CB -0.088 32.494 32.600 -0.031 0.000 1.334 248 M HN 0.026 nan 8.290 nan 0.000 0.407 249 K N 0.312 120.696 120.400 -0.027 0.000 2.160 249 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 249 K C 1.426 178.015 176.600 -0.020 0.000 1.047 249 K CA 1.688 57.964 56.287 -0.019 0.000 0.930 249 K CB -0.456 32.035 32.500 -0.014 0.000 0.720 249 K HN 0.467 nan 8.250 nan 0.000 0.450 250 D N 0.890 121.274 120.400 -0.027 0.000 2.228 250 D HA -0.164 4.476 4.640 -0.000 0.000 0.203 250 D C 1.324 177.604 176.300 -0.034 0.000 0.988 250 D CA 1.056 55.038 54.000 -0.030 0.000 0.864 250 D CB 0.018 40.796 40.800 -0.037 0.000 0.928 250 D HN 0.234 nan 8.370 nan 0.000 0.469 251 L N -0.632 120.571 121.223 -0.033 0.000 2.653 251 L HA 0.195 4.535 4.340 -0.000 0.000 0.232 251 L C 1.487 178.350 176.870 -0.012 0.000 1.169 251 L CA 0.194 55.015 54.840 -0.032 0.000 0.951 251 L CB 0.041 42.079 42.059 -0.036 0.000 1.181 251 L HN 0.103 nan 8.230 nan 0.000 0.460 252 G N -0.328 108.466 108.800 -0.009 0.000 2.199 252 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.254 252 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.254 252 G C 0.423 175.328 174.900 0.009 0.000 0.982 252 G CA 0.102 45.204 45.100 0.003 0.000 0.632 252 G HN 0.112 nan 8.290 nan 0.000 0.529 253 V N 1.288 121.204 119.914 0.003 0.000 2.788 253 V HA 0.251 4.371 4.120 -0.000 0.000 0.307 253 V C 0.854 176.941 176.094 -0.012 0.000 1.069 253 V CA 0.799 63.099 62.300 -0.001 0.000 1.173 253 V CB 1.086 32.904 31.823 -0.008 0.000 0.925 253 V HN 0.377 nan 8.190 nan 0.000 0.492 254 K N 5.310 125.694 120.400 -0.027 0.000 2.244 254 K HA 0.659 4.978 4.320 -0.000 0.000 0.260 254 K C -0.963 175.586 176.600 -0.086 0.000 0.951 254 K CA -0.500 55.763 56.287 -0.041 0.000 0.826 254 K CB 1.998 34.479 32.500 -0.032 0.000 1.108 254 K HN 0.489 nan 8.250 nan 0.000 0.433 255 I N 4.271 124.806 120.570 -0.057 0.000 2.433 255 I HA 0.409 4.578 4.170 -0.000 0.000 0.292 255 I C -0.521 175.577 176.117 -0.031 0.000 1.001 255 I CA -0.840 60.423 61.300 -0.062 0.000 1.119 255 I CB 1.546 39.537 38.000 -0.015 0.000 1.289 255 I HN 0.436 nan 8.210 nan 0.000 0.438 256 I N 5.584 126.136 120.570 -0.030 0.000 2.448 256 I HA 0.295 4.465 4.170 -0.000 0.000 0.281 256 I C -0.374 175.812 176.117 0.113 0.000 1.027 256 I CA -0.361 60.982 61.300 0.071 0.000 1.111 256 I CB 1.401 39.502 38.000 0.169 0.000 1.236 256 I HN 0.559 nan 8.210 nan 0.000 0.452 257 C N 3.486 122.828 119.300 0.070 0.000 2.520 257 C HA 0.661 5.121 4.460 -0.000 0.000 0.376 257 C C 1.608 176.626 174.990 0.047 0.000 1.268 257 C CA 0.609 59.653 59.018 0.042 0.000 2.414 257 C CB 0.543 28.287 27.740 0.006 0.000 2.521 257 C HN 1.114 nan 8.230 nan 0.000 0.618 258 G N 0.862 109.671 108.800 0.014 0.000 2.175 258 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.244 258 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.244 258 G C -0.262 174.650 174.900 0.020 0.000 0.982 258 G CA -0.093 45.012 45.100 0.009 0.000 0.641 258 G HN 0.596 nan 8.290 nan 0.000 0.527 259 K N 1.050 121.481 120.400 0.052 0.000 2.206 259 K HA 0.762 5.082 4.320 -0.000 0.000 0.264 259 K C -0.287 176.318 176.600 0.008 0.000 0.967 259 K CA -0.343 55.957 56.287 0.021 0.000 0.844 259 K CB 1.802 34.331 32.500 0.048 0.000 1.099 259 K HN 0.153 nan 8.250 nan 0.000 0.441 260 S N 1.357 117.037 115.700 -0.034 0.000 2.648 260 S HA 0.470 4.940 4.470 -0.000 0.000 0.305 260 S C -0.878 173.696 174.600 -0.044 0.000 1.094 260 S CA -0.778 57.407 58.200 -0.025 0.000 0.983 260 S CB 1.405 64.592 63.200 -0.021 0.000 1.101 260 S HN 0.436 nan 8.310 nan 0.000 0.514 261 L N 3.514 124.723 121.223 -0.024 0.000 2.314 261 L HA 0.648 4.987 4.340 -0.000 0.000 0.275 261 L C -0.492 176.369 176.870 -0.014 0.000 1.068 261 L CA 0.350 55.175 54.840 -0.025 0.000 0.894 261 L CB -0.467 41.582 42.059 -0.016 0.000 1.275 261 L HN 0.745 nan 8.230 nan 0.000 0.432 262 S N 1.679 117.369 115.700 -0.017 0.000 2.567 262 S HA 0.404 4.874 4.470 -0.000 0.000 0.270 262 S C -0.666 173.928 174.600 -0.009 0.000 1.152 262 S CA -1.021 57.174 58.200 -0.008 0.000 0.835 262 S CB 0.779 63.974 63.200 -0.008 0.000 1.115 262 S HN 0.608 nan 8.310 nan 0.000 0.459 263 E N 0.871 121.068 120.200 -0.005 0.000 2.508 263 E HA 0.001 4.351 4.350 -0.000 0.000 0.266 263 E C 0.385 176.980 176.600 -0.008 0.000 1.010 263 E CA 0.769 57.166 56.400 -0.004 0.000 0.955 263 E CB 0.062 29.759 29.700 -0.005 0.000 0.946 263 E HN 0.690 nan 8.360 nan 0.000 0.454 264 N N 0.917 119.613 118.700 -0.006 0.000 2.967 264 N HA -0.177 4.563 4.740 -0.000 0.000 0.218 264 N C -0.288 175.213 175.510 -0.016 0.000 0.870 264 N CA 1.685 54.730 53.050 -0.009 0.000 1.030 264 N CB -0.421 38.061 38.487 -0.008 0.000 1.027 264 N HN 0.586 nan 8.380 nan 0.000 0.603 265 E N 0.240 120.426 120.200 -0.023 0.000 3.446 265 E HA 0.410 4.760 4.350 -0.000 0.000 0.229 265 E C 0.444 177.011 176.600 -0.054 0.000 0.740 265 E CA -0.682 55.694 56.400 -0.041 0.000 1.531 265 E CB 0.465 30.139 29.700 -0.045 0.000 1.891 265 E HN 0.035 nan 8.360 nan 0.000 0.383 266 I N 2.041 122.557 120.570 -0.091 0.000 2.529 266 I HA 0.069 4.239 4.170 -0.000 0.000 0.284 266 I C 0.566 176.658 176.117 -0.041 0.000 1.082 266 I CA 0.309 61.543 61.300 -0.109 0.000 1.406 266 I CB 0.641 38.504 38.000 -0.228 0.000 1.405 266 I HN 0.415 nan 8.210 nan 0.000 0.548 267 T N 3.021 117.577 114.554 0.004 0.000 2.864 267 T HA 0.433 4.783 4.350 -0.000 0.000 0.299 267 T C 0.858 175.624 174.700 0.110 0.000 1.166 267 T CA -0.909 61.216 62.100 0.042 0.000 1.007 267 T CB 1.330 70.224 68.868 0.044 0.000 1.219 267 T HN 0.425 nan 8.240 nan 0.000 0.506 268 L N 1.072 122.374 121.223 0.131 0.000 2.081 268 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 268 L C 2.612 179.721 176.870 0.399 0.000 1.080 268 L CA 1.400 56.407 54.840 0.279 0.000 0.754 268 L CB -0.709 41.456 42.059 0.175 0.000 0.893 268 L HN 0.682 nan 8.230 nan 0.000 0.433 269 N N -0.206 118.631 118.700 0.227 0.000 2.080 269 N HA -0.153 4.587 4.740 -0.000 0.000 0.189 269 N C 2.001 177.589 175.510 0.130 0.000 1.036 269 N CA 2.175 55.323 53.050 0.164 0.000 0.846 269 N CB -0.594 37.954 38.487 0.101 0.000 1.015 269 N HN 0.452 nan 8.380 nan 0.000 0.423 270 T N 0.072 114.695 114.554 0.114 0.000 2.759 270 T HA -0.057 4.292 4.350 -0.000 0.000 0.269 270 T C 2.208 177.003 174.700 0.158 0.000 1.042 270 T CA 0.813 62.971 62.100 0.096 0.000 1.140 270 T CB -0.551 68.353 68.868 0.060 0.000 0.864 270 T HN 0.086 nan 8.240 nan 0.000 0.455 271 L N 0.607 121.979 121.223 0.248 0.000 2.027 271 L HA 0.031 4.371 4.340 -0.000 0.000 0.206 271 L C 3.001 180.063 176.870 0.320 0.000 1.074 271 L CA 1.730 56.838 54.840 0.447 0.000 0.745 271 L CB -0.522 41.813 42.059 0.460 0.000 0.898 271 L HN 0.294 nan 8.230 nan 0.000 0.433 272 K N 0.734 121.203 120.400 0.114 0.000 2.032 272 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 272 K C 1.927 178.469 176.600 -0.096 0.000 1.048 272 K CA 1.762 57.916 56.287 -0.222 0.000 0.927 272 K CB -0.048 32.257 32.500 -0.324 0.000 0.712 272 K HN 0.220 nan 8.250 nan 0.000 0.441 273 E N 0.282 120.472 120.200 -0.018 0.000 2.160 273 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 273 E C 1.652 178.238 176.600 -0.024 0.000 0.991 273 E CA 1.385 57.774 56.400 -0.018 0.000 0.810 273 E CB 0.084 29.789 29.700 0.009 0.000 0.742 273 E HN 0.411 nan 8.360 nan 0.000 0.466 274 E N -1.127 119.075 120.200 0.003 0.000 2.482 274 E HA -0.017 4.333 4.350 -0.000 0.000 0.196 274 E C 0.854 177.342 176.600 -0.187 0.000 1.047 274 E CA 0.360 56.721 56.400 -0.065 0.000 0.869 274 E CB 0.416 30.103 29.700 -0.022 0.000 0.836 274 E HN 0.388 nan 8.360 nan 0.000 0.520 275 G N 0.662 109.377 108.800 -0.141 0.000 2.163 275 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.213 275 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.213 275 G C -0.250 174.579 174.900 -0.118 0.000 0.991 275 G CA -0.451 44.560 45.100 -0.148 0.000 0.653 275 G HN 0.262 nan 8.290 nan 0.000 0.518 276 Y N 1.294 121.623 120.300 0.048 0.000 2.496 276 Y HA 0.311 4.861 4.550 -0.000 0.000 0.334 276 Y C 1.824 177.783 175.900 0.098 0.000 1.080 276 Y CA -0.206 57.975 58.100 0.136 0.000 1.355 276 Y CB 0.839 39.445 38.460 0.243 0.000 1.193 276 Y HN -0.076 nan 8.280 nan 0.000 0.523 277 K N 2.445 123.054 120.400 0.348 0.000 2.365 277 K HA 0.250 4.570 4.320 -0.000 0.000 0.197 277 K C 0.161 177.091 176.600 0.550 0.000 1.042 277 K CA 0.452 56.936 56.287 0.329 0.000 0.987 277 K CB 0.216 32.921 32.500 0.341 0.000 0.779 277 K HN 0.613 nan 8.250 nan 0.000 0.484 278 A N 0.077 123.269 122.820 0.621 0.000 2.594 278 A HA 0.700 5.020 4.320 -0.000 0.000 0.296 278 A C -1.718 176.148 177.584 0.470 0.000 1.061 278 A CA -0.394 52.028 52.037 0.643 0.000 0.689 278 A CB 1.466 20.739 19.000 0.454 0.000 1.280 278 A HN 0.052 nan 8.150 nan 0.000 0.406 279 A N 0.578 123.573 122.820 0.291 0.000 2.422 279 A HA 0.774 5.094 4.320 -0.000 0.000 0.302 279 A C -1.520 176.137 177.584 0.122 0.000 1.041 279 A CA -0.397 51.717 52.037 0.128 0.000 0.708 279 A CB 1.026 20.026 19.000 0.001 0.000 1.257 279 A HN 1.793 nan 8.150 nan 0.000 0.414 280 F N 4.216 124.160 119.950 -0.010 0.000 2.402 280 F HA 0.617 5.144 4.527 -0.000 0.000 0.355 280 F C -0.750 175.042 175.800 -0.014 0.000 1.123 280 F CA -1.511 56.487 58.000 -0.002 0.000 1.021 280 F CB 0.849 39.836 39.000 -0.022 0.000 1.160 280 F HN 0.373 nan 8.300 nan 0.000 0.451 281 I N 5.561 125.697 120.570 -0.722 0.000 2.325 281 I HA 0.367 4.537 4.170 -0.000 0.000 0.291 281 I C 0.724 176.291 176.117 -0.916 0.000 1.019 281 I CA -0.497 60.439 61.300 -0.607 0.000 1.302 281 I CB 0.601 38.376 38.000 -0.374 0.000 1.401 281 I HN 0.834 nan 8.210 nan 0.000 0.485 282 G N 6.522 114.985 108.800 -0.561 0.000 4.412 282 G HA2 0.380 4.340 3.960 -0.000 0.000 0.262 282 G HA3 0.380 4.340 3.960 -0.000 0.000 0.262 282 G C 0.506 175.340 174.900 -0.110 0.000 1.142 282 G CA -0.234 44.654 45.100 -0.352 0.000 0.783 282 G HN 0.674 nan 8.290 nan 0.000 0.533 283 I N -1.768 118.743 120.570 -0.098 0.000 3.883 283 I HA 0.486 4.656 4.170 -0.000 0.000 0.326 283 I C 1.256 177.371 176.117 -0.003 0.000 1.283 283 I CA 0.233 61.515 61.300 -0.029 0.000 1.161 283 I CB 0.108 38.093 38.000 -0.026 0.000 1.012 283 I HN 0.441 nan 8.210 nan 0.000 0.421 284 G N 3.038 111.830 108.800 -0.012 0.000 2.547 284 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.271 284 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.271 284 G C -0.308 174.604 174.900 0.020 0.000 1.209 284 G CA 0.168 45.276 45.100 0.012 0.000 0.959 284 G HN 0.346 nan 8.290 nan 0.000 0.563 285 L N 2.245 123.487 121.223 0.032 0.000 2.445 285 L HA 0.322 4.662 4.340 -0.000 0.000 0.252 285 L C -1.026 175.869 176.870 0.041 0.000 1.105 285 L CA -1.321 53.542 54.840 0.039 0.000 0.943 285 L CB 1.806 43.889 42.059 0.039 0.000 1.277 285 L HN 0.497 nan 8.230 nan 0.000 0.465 286 P HA -0.152 nan 4.420 nan 0.000 0.218 286 P C 0.085 177.411 177.300 0.043 0.000 1.148 286 P CA 1.238 64.363 63.100 0.042 0.000 0.822 286 P CB 0.552 32.273 31.700 0.036 0.000 0.784 287 E N 0.989 121.216 120.200 0.045 0.000 2.207 287 E HA 0.382 4.732 4.350 -0.000 0.000 0.270 287 E C -2.436 174.193 176.600 0.050 0.000 0.927 287 E CA -2.882 53.546 56.400 0.046 0.000 0.799 287 E CB 1.196 30.924 29.700 0.047 0.000 1.172 287 E HN 0.175 nan 8.360 nan 0.000 0.404 288 P HA 0.021 nan 4.420 nan 0.000 0.275 288 P C -0.983 176.360 177.300 0.070 0.000 1.228 288 P CA -0.337 62.791 63.100 0.047 0.000 0.786 288 P CB 0.828 32.545 31.700 0.028 0.000 0.927 289 K N 2.050 122.505 120.400 0.091 0.000 2.310 289 K HA 0.223 4.543 4.320 -0.000 0.000 0.290 289 K C 0.298 176.999 176.600 0.168 0.000 1.077 289 K CA -0.246 56.124 56.287 0.138 0.000 0.922 289 K CB 0.095 32.702 32.500 0.179 0.000 1.057 289 K HN 0.508 nan 8.250 nan 0.000 0.479 290 T N 0.308 114.960 114.554 0.163 0.000 2.927 290 T HA 0.316 4.666 4.350 -0.000 0.000 0.281 290 T C -0.372 174.484 174.700 0.261 0.000 0.998 290 T CA -0.911 61.309 62.100 0.200 0.000 1.019 290 T CB 1.646 70.605 68.868 0.152 0.000 1.061 290 T HN 0.518 nan 8.240 nan 0.000 0.518 291 D N -0.608 119.990 120.400 0.329 0.000 2.671 291 D HA 0.239 4.879 4.640 -0.000 0.000 0.232 291 D C 0.292 176.625 176.300 0.055 0.000 1.114 291 D CA -0.459 53.686 54.000 0.242 0.000 0.858 291 D CB 2.768 43.804 40.800 0.394 0.000 1.544 291 D HN 0.580 nan 8.370 nan 0.000 0.471 292 D N 1.446 121.824 120.400 -0.037 0.000 2.205 292 D HA -0.215 4.425 4.640 -0.000 0.000 0.190 292 D C 1.937 178.100 176.300 -0.229 0.000 1.002 292 D CA 2.682 56.620 54.000 -0.104 0.000 0.848 292 D CB -0.228 40.512 40.800 -0.100 0.000 0.975 292 D HN 0.641 nan 8.370 nan 0.000 0.449 293 I N -2.343 117.987 120.570 -0.401 0.000 2.874 293 I HA -0.227 3.942 4.170 -0.000 0.000 0.271 293 I C 0.750 176.434 176.117 -0.722 0.000 1.263 293 I CA 1.175 62.120 61.300 -0.591 0.000 1.443 293 I CB -0.771 36.790 38.000 -0.732 0.000 1.100 293 I HN -0.011 nan 8.210 nan 0.000 0.480 294 F N 0.714 120.520 119.950 -0.241 0.000 2.668 294 F HA 0.337 4.864 4.527 -0.000 0.000 0.301 294 F C 1.198 176.723 175.800 -0.459 0.000 1.106 294 F CA -0.627 57.060 58.000 -0.521 0.000 1.289 294 F CB 0.072 38.660 39.000 -0.687 0.000 1.006 294 F HN 0.082 nan 8.300 nan 0.000 0.535 295 Q N 0.506 120.212 119.800 -0.157 0.000 2.332 295 Q HA 0.376 4.716 4.340 -0.000 0.000 0.263 295 Q C 1.265 177.190 176.000 -0.123 0.000 0.979 295 Q CA 1.074 56.810 55.803 -0.112 0.000 0.885 295 Q CB 1.004 29.695 28.738 -0.080 0.000 1.218 295 Q HN 0.563 nan 8.270 nan 0.000 0.405 296 G N 2.895 111.638 108.800 -0.095 0.000 2.284 296 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.247 296 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.247 296 G C 0.046 174.891 174.900 -0.093 0.000 1.012 296 G CA 0.122 45.175 45.100 -0.079 0.000 0.618 296 G HN 0.556 nan 8.290 nan 0.000 0.521 297 L N 2.169 123.292 121.223 -0.168 0.000 2.456 297 L HA 0.518 4.858 4.340 -0.000 0.000 0.272 297 L C 1.204 178.044 176.870 -0.049 0.000 1.189 297 L CA 0.773 55.508 54.840 -0.175 0.000 0.846 297 L CB 0.782 42.561 42.059 -0.467 0.000 1.111 297 L HN 0.518 nan 8.230 nan 0.000 0.475 298 T N -1.692 112.862 114.554 0.001 0.000 2.887 298 T HA 0.279 4.629 4.350 -0.000 0.000 0.292 298 T C 0.439 175.097 174.700 -0.070 0.000 1.087 298 T CA -0.893 61.205 62.100 -0.003 0.000 1.009 298 T CB 1.662 70.515 68.868 -0.024 0.000 1.203 298 T HN 0.568 nan 8.240 nan 0.000 0.518 299 Q N 0.153 119.835 119.800 -0.197 0.000 2.135 299 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 299 Q C 1.514 177.396 176.000 -0.198 0.000 0.981 299 Q CA 1.908 57.449 55.803 -0.438 0.000 0.856 299 Q CB -0.190 28.288 28.738 -0.435 0.000 0.902 299 Q HN 0.661 nan 8.270 nan 0.000 0.425 300 D N 0.651 121.002 120.400 -0.080 0.000 2.149 300 D HA -0.182 4.458 4.640 -0.000 0.000 0.198 300 D C 1.808 178.109 176.300 0.001 0.000 0.990 300 D CA 1.228 55.218 54.000 -0.016 0.000 0.839 300 D CB -0.063 40.734 40.800 -0.006 0.000 0.948 300 D HN 0.435 nan 8.370 nan 0.000 0.460 301 Q N -0.576 119.219 119.800 -0.008 0.000 2.172 301 Q HA 0.098 4.438 4.340 -0.000 0.000 0.200 301 Q C 1.202 177.229 176.000 0.044 0.000 0.964 301 Q CA 0.994 56.808 55.803 0.018 0.000 0.855 301 Q CB 0.445 29.192 28.738 0.015 0.000 0.918 301 Q HN 0.337 nan 8.270 nan 0.000 0.444 302 G N 0.526 109.343 108.800 0.028 0.000 2.157 302 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.118 302 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.118 302 G C -0.800 174.169 174.900 0.115 0.000 1.032 302 G CA -0.576 44.584 45.100 0.100 0.000 0.697 302 G HN 0.233 nan 8.290 nan 0.000 0.495 303 F N 1.513 121.337 119.950 -0.211 0.000 2.482 303 F HA 0.841 5.368 4.527 -0.000 0.000 0.331 303 F C -0.644 174.916 175.800 -0.400 0.000 1.115 303 F CA -1.354 56.525 58.000 -0.201 0.000 0.955 303 F CB 1.126 40.025 39.000 -0.168 0.000 1.136 303 F HN 0.053 nan 8.300 nan 0.000 0.452 304 Y N 1.209 120.826 120.300 -1.138 0.000 2.644 304 Y HA 0.612 5.162 4.550 -0.000 0.000 0.338 304 Y C -0.218 175.020 175.900 -1.104 0.000 1.119 304 Y CA -1.133 56.484 58.100 -0.805 0.000 1.060 304 Y CB 2.126 40.368 38.460 -0.363 0.000 1.294 304 Y HN 0.602 nan 8.280 nan 0.000 0.472 305 T N -3.135 111.182 114.554 -0.397 0.000 2.887 305 T HA 0.339 4.688 4.350 -0.000 0.000 0.288 305 T C 0.831 175.457 174.700 -0.124 0.000 1.021 305 T CA -0.236 61.658 62.100 -0.343 0.000 1.000 305 T CB 1.527 70.279 68.868 -0.192 0.000 1.034 305 T HN 0.768 nan 8.240 nan 0.000 0.467 306 S N 2.026 117.658 115.700 -0.113 0.000 2.406 306 S HA -0.295 4.175 4.470 -0.000 0.000 0.242 306 S C 1.794 176.413 174.600 0.031 0.000 1.079 306 S CA 1.139 59.335 58.200 -0.007 0.000 1.133 306 S CB -0.790 62.403 63.200 -0.012 0.000 1.005 306 S HN 0.690 nan 8.310 nan 0.000 0.443 307 K N 1.221 121.627 120.400 0.010 0.000 2.281 307 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 307 K C 1.441 178.066 176.600 0.042 0.000 1.046 307 K CA 1.330 57.632 56.287 0.025 0.000 0.938 307 K CB -0.469 32.046 32.500 0.025 0.000 0.737 307 K HN 0.577 nan 8.250 nan 0.000 0.458 308 D N -0.602 119.839 120.400 0.067 0.000 2.320 308 D HA -0.043 4.597 4.640 -0.000 0.000 0.228 308 D C 1.711 178.122 176.300 0.185 0.000 0.978 308 D CA 0.329 54.403 54.000 0.124 0.000 0.905 308 D CB -0.345 40.540 40.800 0.141 0.000 1.051 308 D HN -0.005 nan 8.370 nan 0.000 0.471 309 F N 2.229 122.198 119.950 0.033 0.000 1.997 309 F HA -0.149 4.378 4.527 -0.000 0.000 0.296 309 F C 2.307 178.040 175.800 -0.112 0.000 1.160 309 F CA 1.380 59.309 58.000 -0.118 0.000 1.176 309 F CB -0.766 38.060 39.000 -0.289 0.000 0.964 309 F HN -0.158 nan 8.300 nan 0.000 0.484 310 L N 0.185 121.309 121.223 -0.165 0.000 2.034 310 L HA -0.248 4.092 4.340 -0.000 0.000 0.217 310 L C -0.417 176.291 176.870 -0.271 0.000 1.077 310 L CA 1.937 56.612 54.840 -0.274 0.000 0.769 310 L CB -2.359 39.653 42.059 -0.079 0.000 0.890 310 L HN 0.193 nan 8.230 nan 0.000 0.435 311 P HA -0.169 nan 4.420 nan 0.000 0.218 311 P C 1.906 179.088 177.300 -0.196 0.000 1.148 311 P CA 1.284 64.287 63.100 -0.161 0.000 0.822 311 P CB 0.075 31.739 31.700 -0.061 0.000 0.784 312 L N -1.358 119.742 121.223 -0.206 0.000 2.027 312 L HA -0.130 4.209 4.340 -0.000 0.000 0.206 312 L C 2.273 178.979 176.870 -0.274 0.000 1.074 312 L CA 1.329 56.050 54.840 -0.199 0.000 0.745 312 L CB -1.031 40.938 42.059 -0.149 0.000 0.898 312 L HN -0.129 nan 8.230 nan 0.000 0.433 313 V N -0.055 119.626 119.914 -0.388 0.000 2.427 313 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 313 V C 2.675 178.569 176.094 -0.334 0.000 1.051 313 V CA 1.548 63.644 62.300 -0.340 0.000 1.048 313 V CB -0.983 30.618 31.823 -0.370 0.000 0.666 313 V HN 0.454 nan 8.190 nan 0.000 0.456 314 A N 0.593 123.217 122.820 -0.325 0.000 1.829 314 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 314 A C 2.248 179.612 177.584 -0.367 0.000 1.207 314 A CA 2.261 54.094 52.037 -0.339 0.000 0.622 314 A CB -0.677 18.123 19.000 -0.333 0.000 0.846 314 A HN 0.501 nan 8.150 nan 0.000 0.447 315 K N -0.292 119.909 120.400 -0.331 0.000 2.189 315 K HA -0.196 4.123 4.320 -0.000 0.000 0.207 315 K C 2.385 178.791 176.600 -0.323 0.000 1.046 315 K CA 1.631 57.737 56.287 -0.302 0.000 0.928 315 K CB -0.258 32.118 32.500 -0.205 0.000 0.720 315 K HN 0.512 nan 8.250 nan 0.000 0.458 316 S N 0.466 115.964 115.700 -0.337 0.000 2.377 316 S HA -0.078 4.392 4.470 -0.000 0.000 0.223 316 S C 1.911 176.241 174.600 -0.451 0.000 1.030 316 S CA 1.422 59.395 58.200 -0.380 0.000 0.970 316 S CB -0.020 63.003 63.200 -0.295 0.000 0.830 316 S HN 0.394 nan 8.310 nan 0.000 0.473 317 S N 0.047 115.412 115.700 -0.559 0.000 2.517 317 S HA 0.315 4.785 4.470 -0.000 0.000 0.214 317 S C 0.370 174.691 174.600 -0.465 0.000 0.991 317 S CA -0.383 57.370 58.200 -0.745 0.000 0.906 317 S CB -0.153 62.088 63.200 -1.597 0.000 0.789 317 S HN 0.369 nan 8.310 nan 0.000 0.513 318 K N 2.669 122.843 120.400 -0.376 0.000 2.300 318 K HA 0.549 4.869 4.320 -0.000 0.000 0.264 318 K C -0.654 175.804 176.600 -0.236 0.000 1.083 318 K CA -0.252 55.873 56.287 -0.270 0.000 0.958 318 K CB 1.193 33.480 32.500 -0.354 0.000 1.318 318 K HN 0.311 nan 8.250 nan 0.000 0.448 319 A N 1.827 124.585 122.820 -0.104 0.000 2.484 319 A HA 0.428 4.748 4.320 -0.000 0.000 0.268 319 A C 1.250 178.851 177.584 0.027 0.000 1.114 319 A CA 0.866 52.877 52.037 -0.043 0.000 0.780 319 A CB -0.326 18.682 19.000 0.012 0.000 1.061 319 A HN 0.969 nan 8.150 nan 0.000 0.505 320 G N 1.925 110.710 108.800 -0.024 0.000 2.253 320 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.209 320 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.209 320 G C 1.063 175.892 174.900 -0.118 0.000 0.997 320 G CA 0.620 45.757 45.100 0.061 0.000 0.640 320 G HN 0.783 nan 8.290 nan 0.000 0.496 321 M N 0.246 119.534 119.600 -0.520 0.000 2.091 321 M HA 0.118 4.598 4.480 -0.000 0.000 0.259 321 M C 1.078 177.250 176.300 -0.213 0.000 1.076 321 M CA 2.145 57.037 55.300 -0.679 0.000 1.111 321 M CB -0.148 32.005 32.600 -0.744 0.000 1.291 321 M HN 0.387 nan 8.290 nan 0.000 0.417 322 C N -0.373 118.835 119.300 -0.154 0.000 2.454 322 C HA 0.628 5.088 4.460 -0.000 0.000 0.336 322 C C 1.709 176.683 174.990 -0.027 0.000 1.189 322 C CA -0.708 58.287 59.018 -0.037 0.000 1.877 322 C CB 1.246 28.969 27.740 -0.027 0.000 2.348 322 C HN 0.669 nan 8.230 nan 0.000 0.508 323 A N 0.381 123.206 122.820 0.008 0.000 1.897 323 A HA -0.031 4.288 4.320 -0.000 0.000 0.215 323 A C 1.031 178.630 177.584 0.026 0.000 1.181 323 A CA 1.158 53.207 52.037 0.020 0.000 0.620 323 A CB -0.509 18.507 19.000 0.027 0.000 0.821 323 A HN 0.873 nan 8.150 nan 0.000 0.443 324 C N 1.599 120.911 119.300 0.020 0.000 2.555 324 C HA 0.230 4.690 4.460 -0.000 0.000 0.385 324 C C 0.561 175.572 174.990 0.034 0.000 1.296 324 C CA -0.629 58.410 59.018 0.035 0.000 1.757 324 C CB -1.430 26.324 27.740 0.025 0.000 2.445 324 C HN 0.539 nan 8.230 nan 0.000 0.571 325 H N 3.842 122.898 119.070 -0.024 0.000 3.017 325 H HA 0.216 4.772 4.556 -0.000 0.000 0.276 325 H C 0.251 175.560 175.328 -0.031 0.000 1.062 325 H CA 0.378 56.405 56.048 -0.034 0.000 1.486 325 H CB 0.662 30.409 29.762 -0.025 0.000 1.507 325 H HN 0.784 nan 8.280 nan 0.000 0.508 326 S N 5.047 120.606 115.700 -0.235 0.000 2.713 326 S HA 0.605 5.075 4.470 -0.000 0.000 0.283 326 S C -2.687 171.816 174.600 -0.161 0.000 1.161 326 S CA -1.572 56.562 58.200 -0.109 0.000 0.999 326 S CB 1.993 65.126 63.200 -0.112 0.000 1.039 326 S HN 0.474 nan 8.310 nan 0.000 0.548 327 P HA 0.393 nan 4.420 nan 0.000 0.276 327 P C -1.159 176.120 177.300 -0.035 0.000 1.261 327 P CA -0.756 62.355 63.100 0.020 0.000 0.800 327 P CB 0.327 32.059 31.700 0.053 0.000 1.066 328 L N 2.949 124.173 121.223 0.002 0.000 2.264 328 L HA 0.453 4.793 4.340 -0.000 0.000 0.289 328 L C -2.328 174.559 176.870 0.028 0.000 1.044 328 L CA -2.427 52.413 54.840 0.001 0.000 0.807 328 L CB -0.008 42.088 42.059 0.062 0.000 1.192 328 L HN 0.254 nan 8.230 nan 0.000 0.425 329 P HA -0.093 nan 4.420 nan 0.000 0.263 329 P C -0.717 176.635 177.300 0.087 0.000 1.162 329 P CA 0.399 63.534 63.100 0.058 0.000 0.758 329 P CB 0.353 32.068 31.700 0.024 0.000 0.773 330 S N 3.987 119.750 115.700 0.105 0.000 3.036 330 S HA 0.260 4.730 4.470 -0.000 0.000 0.301 330 S C -0.011 174.652 174.600 0.105 0.000 1.205 330 S CA -0.592 57.665 58.200 0.094 0.000 0.999 330 S CB -1.042 62.210 63.200 0.086 0.000 1.337 330 S HN 0.179 nan 8.310 nan 0.000 0.515 331 I N 6.117 126.743 120.570 0.093 0.000 2.306 331 I HA 0.478 4.648 4.170 -0.000 0.000 0.288 331 I C 0.150 176.302 176.117 0.058 0.000 1.036 331 I CA -0.510 60.836 61.300 0.076 0.000 1.221 331 I CB 0.668 38.704 38.000 0.059 0.000 1.385 331 I HN 0.352 nan 8.210 nan 0.000 0.472 332 R N 4.041 124.576 120.500 0.058 0.000 2.686 332 R HA 0.793 5.133 4.340 -0.000 0.000 0.286 332 R C 0.142 176.473 176.300 0.051 0.000 0.969 332 R CA -0.544 55.586 56.100 0.049 0.000 0.898 332 R CB 2.249 32.578 30.300 0.049 0.000 1.183 332 R HN 0.873 nan 8.270 nan 0.000 0.456 333 G N 0.659 109.489 108.800 0.050 0.000 2.526 333 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.250 333 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.250 333 G C -1.137 173.812 174.900 0.080 0.000 1.289 333 G CA -0.455 44.682 45.100 0.063 0.000 0.947 333 G HN 0.729 nan 8.290 nan 0.000 0.517 334 A N -0.725 122.164 122.820 0.114 0.000 2.409 334 A HA 0.661 4.981 4.320 -0.000 0.000 0.267 334 A C 0.431 178.105 177.584 0.150 0.000 1.127 334 A CA 0.309 52.461 52.037 0.192 0.000 0.795 334 A CB 0.664 19.817 19.000 0.255 0.000 1.061 334 A HN 1.815 nan 8.150 nan 0.000 0.502 335 V N 3.921 123.921 119.914 0.144 0.000 2.630 335 V HA 0.443 4.563 4.120 -0.000 0.000 0.305 335 V C 0.022 176.191 176.094 0.124 0.000 1.046 335 V CA -0.353 61.981 62.300 0.056 0.000 0.934 335 V CB 1.603 33.392 31.823 -0.058 0.000 1.003 335 V HN 0.744 nan 8.190 nan 0.000 0.451 336 I N 3.836 124.438 120.570 0.052 0.000 2.439 336 I HA 0.370 4.540 4.170 -0.000 0.000 0.285 336 I C -0.833 175.274 176.117 -0.017 0.000 1.021 336 I CA -0.620 60.729 61.300 0.083 0.000 1.091 336 I CB 2.062 40.142 38.000 0.134 0.000 1.242 336 I HN 0.279 nan 8.210 nan 0.000 0.439 337 V N 7.447 127.330 119.914 -0.053 0.000 2.364 337 V HA 0.336 4.456 4.120 -0.000 0.000 0.272 337 V C 0.231 176.315 176.094 -0.017 0.000 1.036 337 V CA -0.492 61.736 62.300 -0.120 0.000 0.880 337 V CB 1.498 33.201 31.823 -0.201 0.000 0.991 337 V HN 0.475 nan 8.190 nan 0.000 0.460 338 L N 5.490 126.737 121.223 0.040 0.000 2.281 338 L HA 0.794 5.134 4.340 -0.000 0.000 0.285 338 L C 0.768 177.838 176.870 0.334 0.000 1.074 338 L CA 0.235 55.235 54.840 0.268 0.000 0.817 338 L CB 0.837 43.164 42.059 0.447 0.000 1.168 338 L HN 0.937 nan 8.230 nan 0.000 0.434 339 G N 2.588 111.538 108.800 0.250 0.000 2.484 339 G HA2 0.190 4.150 3.960 -0.000 0.000 0.685 339 G HA3 0.190 4.150 3.960 -0.000 0.000 0.685 339 G C -0.565 174.339 174.900 0.008 0.000 1.294 339 G CA -0.278 44.919 45.100 0.162 0.000 0.879 339 G HN 0.794 nan 8.290 nan 0.000 0.646 340 A N 0.111 122.897 122.820 -0.057 0.000 2.616 340 A HA 0.785 5.105 4.320 -0.000 0.000 0.294 340 A C 1.151 178.758 177.584 0.039 0.000 1.091 340 A CA 1.192 53.121 52.037 -0.180 0.000 0.971 340 A CB -0.094 18.584 19.000 -0.537 0.000 1.222 340 A HN 2.225 nan 8.150 nan 0.000 0.521 341 G N -0.944 107.879 108.800 0.038 0.000 2.616 341 G HA2 0.315 4.275 3.960 -0.000 0.000 0.268 341 G HA3 0.315 4.275 3.960 -0.000 0.000 0.268 341 G C 0.217 175.253 174.900 0.225 0.000 1.213 341 G CA -0.094 45.058 45.100 0.086 0.000 0.926 341 G HN 0.219 nan 8.290 nan 0.000 0.523 342 D N -0.279 120.219 120.400 0.164 0.000 2.218 342 D HA -0.104 4.536 4.640 -0.000 0.000 0.204 342 D C 2.463 178.892 176.300 0.214 0.000 0.976 342 D CA 1.486 55.605 54.000 0.198 0.000 0.853 342 D CB 0.097 40.934 40.800 0.061 0.000 0.939 342 D HN 0.352 nan 8.370 nan 0.000 0.481 343 T N 1.095 115.725 114.554 0.126 0.000 2.737 343 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 343 T C 2.174 176.915 174.700 0.068 0.000 1.038 343 T CA 1.261 63.411 62.100 0.084 0.000 1.144 343 T CB -0.243 68.656 68.868 0.051 0.000 0.866 343 T HN 0.168 nan 8.240 nan 0.000 0.434 344 A N 1.237 124.067 122.820 0.018 0.000 1.927 344 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 344 A C 1.965 179.419 177.584 -0.216 0.000 1.185 344 A CA 1.782 53.732 52.037 -0.145 0.000 0.639 344 A CB -1.175 17.657 19.000 -0.279 0.000 0.820 344 A HN 0.519 nan 8.150 nan 0.000 0.451 345 F N 0.045 119.985 119.950 -0.017 0.000 2.234 345 F HA -0.096 4.431 4.527 -0.000 0.000 0.299 345 F C 2.106 177.930 175.800 0.041 0.000 1.087 345 F CA 1.328 59.323 58.000 -0.008 0.000 1.340 345 F CB -0.240 38.759 39.000 -0.001 0.000 1.031 345 F HN 0.184 nan 8.300 nan 0.000 0.500 346 D N -0.478 120.048 120.400 0.211 0.000 2.183 346 D HA -0.121 4.519 4.640 -0.000 0.000 0.203 346 D C 2.329 178.741 176.300 0.187 0.000 0.969 346 D CA 0.997 55.108 54.000 0.186 0.000 0.842 346 D CB -0.432 40.427 40.800 0.099 0.000 0.957 346 D HN 0.255 nan 8.370 nan 0.000 0.484 347 C N 1.167 120.542 119.300 0.126 0.000 2.432 347 C HA -0.043 4.417 4.460 -0.000 0.000 0.277 347 C C 2.910 177.944 174.990 0.073 0.000 1.249 347 C CA 0.768 59.871 59.018 0.141 0.000 1.725 347 C CB -0.968 26.748 27.740 -0.040 0.000 2.028 347 C HN 0.356 nan 8.230 nan 0.000 0.477 348 A N 1.506 124.308 122.820 -0.031 0.000 1.859 348 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 348 A C 2.318 179.909 177.584 0.012 0.000 1.198 348 A CA 3.328 55.319 52.037 -0.075 0.000 0.629 348 A CB -1.512 17.392 19.000 -0.160 0.000 0.830 348 A HN 0.689 nan 8.150 nan 0.000 0.446 349 T N -2.720 111.887 114.554 0.088 0.000 2.788 349 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 349 T C 2.009 176.796 174.700 0.145 0.000 1.044 349 T CA 1.931 64.077 62.100 0.077 0.000 1.139 349 T CB -0.690 68.258 68.868 0.134 0.000 0.867 349 T HN 0.288 nan 8.240 nan 0.000 0.454 350 S N 1.934 117.836 115.700 0.336 0.000 2.368 350 S HA 0.088 4.558 4.470 -0.000 0.000 0.225 350 S C 2.686 177.451 174.600 0.276 0.000 1.030 350 S CA 0.975 59.395 58.200 0.366 0.000 0.999 350 S CB -0.967 62.421 63.200 0.314 0.000 0.844 350 S HN 0.780 nan 8.310 nan 0.000 0.459 351 A N 1.740 124.738 122.820 0.298 0.000 1.927 351 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 351 A C 2.099 179.732 177.584 0.081 0.000 1.185 351 A CA 1.503 53.665 52.037 0.207 0.000 0.639 351 A CB -0.932 18.045 19.000 -0.038 0.000 0.820 351 A HN 0.480 nan 8.150 nan 0.000 0.451 352 L N -1.720 119.508 121.223 0.009 0.000 2.079 352 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 352 L C 2.739 179.568 176.870 -0.067 0.000 1.081 352 L CA 1.433 56.244 54.840 -0.048 0.000 0.752 352 L CB -0.408 41.593 42.059 -0.097 0.000 0.896 352 L HN 0.233 nan 8.230 nan 0.000 0.433 353 R N -0.850 119.594 120.500 -0.094 0.000 2.189 353 R HA -0.063 4.277 4.340 -0.000 0.000 0.223 353 R C 2.072 178.366 176.300 -0.010 0.000 1.092 353 R CA 0.886 56.876 56.100 -0.184 0.000 0.989 353 R CB -0.954 29.063 30.300 -0.470 0.000 0.876 353 R HN 0.329 nan 8.270 nan 0.000 0.457 354 C N -1.237 118.104 119.300 0.068 0.000 2.562 354 C HA 0.345 4.805 4.460 -0.000 0.000 0.266 354 C C 1.520 176.551 174.990 0.069 0.000 1.382 354 C CA 0.686 59.765 59.018 0.101 0.000 1.742 354 C CB -0.719 27.112 27.740 0.152 0.000 1.812 354 C HN 0.731 nan 8.230 nan 0.000 0.559 355 G N -0.142 108.680 108.800 0.037 0.000 2.192 355 G HA2 0.024 3.984 3.960 -0.000 0.000 0.193 355 G HA3 0.024 3.984 3.960 -0.000 0.000 0.193 355 G C 0.194 175.106 174.900 0.020 0.000 0.999 355 G CA 0.040 45.156 45.100 0.026 0.000 0.659 355 G HN 0.851 nan 8.290 nan 0.000 0.503 356 A N 0.309 123.139 122.820 0.016 0.000 2.587 356 A HA 0.488 4.808 4.320 -0.000 0.000 0.235 356 A C 1.424 179.008 177.584 0.000 0.000 1.044 356 A CA 1.498 53.539 52.037 0.006 0.000 0.754 356 A CB 0.128 19.119 19.000 -0.017 0.000 0.968 356 A HN 0.622 nan 8.150 nan 0.000 0.509 357 R N 1.013 121.522 120.500 0.014 0.000 2.080 357 R HA 0.068 4.408 4.340 -0.000 0.000 0.222 357 R C 0.546 176.845 176.300 -0.001 0.000 1.107 357 R CA 0.970 57.080 56.100 0.016 0.000 0.980 357 R CB 0.113 30.436 30.300 0.038 0.000 0.879 357 R HN 0.806 nan 8.270 nan 0.000 0.439 358 R N -0.475 120.022 120.500 -0.004 0.000 2.707 358 R HA 0.397 4.737 4.340 -0.000 0.000 0.272 358 R C -1.860 174.359 176.300 -0.136 0.000 1.011 358 R CA -0.704 55.340 56.100 -0.093 0.000 0.893 358 R CB 2.832 33.102 30.300 -0.050 0.000 1.233 358 R HN -0.075 nan 8.270 nan 0.000 0.464 359 V N 3.297 123.002 119.914 -0.348 0.000 2.623 359 V HA 0.533 4.653 4.120 -0.000 0.000 0.304 359 V C -1.260 174.537 176.094 -0.496 0.000 1.054 359 V CA -0.754 61.384 62.300 -0.271 0.000 0.882 359 V CB 1.748 33.456 31.823 -0.191 0.000 1.002 359 V HN 0.524 nan 8.190 nan 0.000 0.424 360 F N 4.424 124.305 119.950 -0.115 0.000 2.467 360 F HA 0.661 5.188 4.527 -0.000 0.000 0.336 360 F C -0.110 175.573 175.800 -0.194 0.000 1.123 360 F CA -0.743 57.174 58.000 -0.138 0.000 0.964 360 F CB 1.653 40.600 39.000 -0.087 0.000 1.136 360 F HN 0.199 nan 8.300 nan 0.000 0.447 361 L N 4.309 125.445 121.223 -0.145 0.000 2.265 361 L HA 0.620 4.959 4.340 -0.000 0.000 0.289 361 L C -0.850 175.990 176.870 -0.050 0.000 1.033 361 L CA -0.661 54.058 54.840 -0.201 0.000 0.814 361 L CB 1.300 43.043 42.059 -0.526 0.000 1.203 361 L HN 0.345 nan 8.230 nan 0.000 0.423 362 V N 4.571 124.476 119.914 -0.014 0.000 2.407 362 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 362 V C -0.359 175.744 176.094 0.015 0.000 1.018 362 V CA -0.571 61.644 62.300 -0.142 0.000 0.842 362 V CB 1.040 32.736 31.823 -0.212 0.000 0.996 362 V HN 0.479 nan 8.190 nan 0.000 0.426 363 F N 2.371 122.280 119.950 -0.068 0.000 2.556 363 F HA 0.671 5.198 4.527 -0.000 0.000 0.327 363 F C 1.160 176.891 175.800 -0.115 0.000 1.059 363 F CA -1.381 56.562 58.000 -0.096 0.000 0.953 363 F CB 1.382 40.289 39.000 -0.155 0.000 1.227 363 F HN 0.460 nan 8.300 nan 0.000 0.478 364 R N 0.227 120.731 120.500 0.006 0.000 2.313 364 R HA 0.297 4.637 4.340 -0.000 0.000 0.199 364 R C -0.346 175.801 176.300 -0.254 0.000 0.958 364 R CA 0.337 56.382 56.100 -0.093 0.000 1.047 364 R CB -0.145 30.083 30.300 -0.120 0.000 0.955 364 R HN 0.680 nan 8.270 nan 0.000 0.481 365 K N -0.025 120.199 120.400 -0.294 0.000 2.158 365 K HA 0.465 4.785 4.320 -0.000 0.000 0.243 365 K C 0.041 176.241 176.600 -0.667 0.000 1.079 365 K CA -0.698 55.211 56.287 -0.631 0.000 0.920 365 K CB 1.071 33.133 32.500 -0.730 0.000 1.400 365 K HN 0.098 nan 8.250 nan 0.000 0.561 366 G N -0.163 108.274 108.800 -0.605 0.000 2.535 366 G HA2 0.212 4.172 3.960 -0.000 0.000 0.303 366 G HA3 0.212 4.172 3.960 -0.000 0.000 0.303 366 G C 0.011 175.015 174.900 0.173 0.000 1.237 366 G CA -0.297 44.478 45.100 -0.542 0.000 0.986 366 G HN 0.410 nan 8.290 nan 0.000 0.494 367 F N -0.228 119.862 119.950 0.234 0.000 2.134 367 F HA -0.113 4.413 4.527 -0.000 0.000 0.299 367 F C 2.901 178.727 175.800 0.044 0.000 1.097 367 F CA 1.657 59.772 58.000 0.191 0.000 1.264 367 F CB -0.108 38.992 39.000 0.165 0.000 1.001 367 F HN 0.100 nan 8.300 nan 0.000 0.479 368 V N -0.956 119.121 119.914 0.272 0.000 3.026 368 V HA -0.254 3.866 4.120 -0.000 0.000 0.265 368 V C 1.081 177.220 176.094 0.074 0.000 1.121 368 V CA 1.908 64.304 62.300 0.160 0.000 1.142 368 V CB -1.289 30.640 31.823 0.178 0.000 0.730 368 V HN 0.343 nan 8.190 nan 0.000 0.503 369 N N -0.250 118.471 118.700 0.034 0.000 2.353 369 N HA 0.276 5.016 4.740 -0.000 0.000 0.185 369 N C 0.358 175.772 175.510 -0.160 0.000 1.098 369 N CA -0.013 53.018 53.050 -0.033 0.000 0.872 369 N CB 0.054 38.523 38.487 -0.030 0.000 0.970 369 N HN 0.437 nan 8.380 nan 0.000 0.467 370 I N 1.396 121.811 120.570 -0.258 0.000 2.587 370 I HA -0.021 4.149 4.170 -0.000 0.000 0.284 370 I C 0.757 176.764 176.117 -0.183 0.000 1.134 370 I CA 0.404 61.505 61.300 -0.332 0.000 1.410 370 I CB 0.697 38.423 38.000 -0.456 0.000 1.392 370 I HN 0.052 nan 8.210 nan 0.000 0.545 371 R N 4.650 125.064 120.500 -0.144 0.000 2.427 371 R HA 0.333 4.673 4.340 -0.000 0.000 0.262 371 R C 0.355 176.598 176.300 -0.095 0.000 0.943 371 R CA -0.271 55.769 56.100 -0.101 0.000 1.081 371 R CB 0.488 30.740 30.300 -0.080 0.000 1.166 371 R HN 0.698 nan 8.270 nan 0.000 0.534 372 A N 1.256 124.006 122.820 -0.118 0.000 2.371 372 A HA 0.313 4.633 4.320 -0.000 0.000 0.257 372 A C 0.602 178.071 177.584 -0.191 0.000 1.089 372 A CA -0.567 51.385 52.037 -0.141 0.000 0.794 372 A CB 0.443 19.318 19.000 -0.207 0.000 1.029 372 A HN 0.194 nan 8.150 nan 0.000 0.488 373 V N 1.258 121.081 119.914 -0.152 0.000 2.720 373 V HA 0.101 4.221 4.120 -0.000 0.000 0.307 373 V C -1.600 174.384 176.094 -0.183 0.000 1.071 373 V CA -0.394 61.826 62.300 -0.132 0.000 1.199 373 V CB 0.246 32.013 31.823 -0.093 0.000 0.900 373 V HN 0.773 nan 8.190 nan 0.000 0.494 374 P HA -0.120 nan 4.420 nan 0.000 0.216 374 P C 1.396 178.617 177.300 -0.132 0.000 1.153 374 P CA 1.705 64.726 63.100 -0.132 0.000 0.858 374 P CB 0.189 31.847 31.700 -0.070 0.000 0.789 375 E N -0.537 119.601 120.200 -0.104 0.000 2.118 375 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 375 E C 1.977 178.492 176.600 -0.143 0.000 0.992 375 E CA 1.272 57.611 56.400 -0.102 0.000 0.804 375 E CB -0.789 28.869 29.700 -0.070 0.000 0.741 375 E HN 0.324 nan 8.360 nan 0.000 0.458 376 E N 0.132 120.232 120.200 -0.167 0.000 2.072 376 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 376 E C 1.899 178.318 176.600 -0.301 0.000 0.985 376 E CA 0.918 57.206 56.400 -0.187 0.000 0.801 376 E CB -0.191 29.393 29.700 -0.193 0.000 0.750 376 E HN 0.094 nan 8.360 nan 0.000 0.452 377 V N 0.870 120.495 119.914 -0.481 0.000 2.295 377 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 377 V C 2.444 178.482 176.094 -0.094 0.000 1.049 377 V CA 2.197 64.171 62.300 -0.544 0.000 1.024 377 V CB -0.685 30.856 31.823 -0.470 0.000 0.648 377 V HN 0.404 nan 8.190 nan 0.000 0.447 378 E N 0.168 120.316 120.200 -0.085 0.000 2.130 378 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 378 E C 2.111 178.718 176.600 0.011 0.000 0.998 378 E CA 1.640 58.033 56.400 -0.012 0.000 0.806 378 E CB -0.272 29.410 29.700 -0.030 0.000 0.738 378 E HN 0.573 nan 8.360 nan 0.000 0.459 379 L N 0.042 121.240 121.223 -0.042 0.000 2.012 379 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 379 L C 2.634 179.535 176.870 0.051 0.000 1.073 379 L CA 1.187 56.010 54.840 -0.029 0.000 0.748 379 L CB -0.687 41.350 42.059 -0.037 0.000 0.891 379 L HN 0.294 nan 8.230 nan 0.000 0.431 380 A N 0.273 123.175 122.820 0.137 0.000 1.841 380 A HA -0.310 4.010 4.320 -0.000 0.000 0.216 380 A C 2.365 180.072 177.584 0.205 0.000 1.199 380 A CA 2.277 54.432 52.037 0.197 0.000 0.621 380 A CB -0.702 18.542 19.000 0.407 0.000 0.835 380 A HN 0.345 nan 8.150 nan 0.000 0.445 381 K N 0.287 120.892 120.400 0.341 0.000 2.127 381 K HA -0.268 4.052 4.320 -0.000 0.000 0.208 381 K C 2.000 178.693 176.600 0.155 0.000 1.047 381 K CA 2.091 58.583 56.287 0.341 0.000 0.927 381 K CB -0.237 32.419 32.500 0.261 0.000 0.716 381 K HN 0.812 nan 8.250 nan 0.000 0.450 382 E N -0.146 120.114 120.200 0.099 0.000 2.285 382 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 382 E C 0.604 177.216 176.600 0.020 0.000 0.997 382 E CA 0.800 57.232 56.400 0.053 0.000 0.845 382 E CB 0.029 29.770 29.700 0.070 0.000 0.782 382 E HN 0.404 nan 8.360 nan 0.000 0.491 383 E N 1.153 121.361 120.200 0.013 0.000 2.359 383 E HA 0.027 4.377 4.350 -0.000 0.000 0.187 383 E C -0.430 176.156 176.600 -0.024 0.000 1.081 383 E CA -0.188 56.195 56.400 -0.028 0.000 0.929 383 E CB 0.230 29.889 29.700 -0.068 0.000 1.086 383 E HN 0.090 nan 8.360 nan 0.000 0.462 384 K N -0.733 119.669 120.400 0.003 0.000 3.129 384 K HA -0.175 4.145 4.320 -0.000 0.000 0.273 384 K C -0.383 176.200 176.600 -0.029 0.000 1.123 384 K CA 0.315 56.601 56.287 -0.003 0.000 0.800 384 K CB -3.121 29.366 32.500 -0.021 0.000 1.238 384 K HN 0.279 nan 8.250 nan 0.000 0.492 385 C N 1.245 120.536 119.300 -0.015 0.000 2.644 385 C HA 0.229 4.689 4.460 -0.000 0.000 0.417 385 C C 1.403 176.335 174.990 -0.097 0.000 1.304 385 C CA -0.374 58.560 59.018 -0.139 0.000 2.035 385 C CB 0.546 28.170 27.740 -0.193 0.000 2.673 385 C HN 0.371 nan 8.230 nan 0.000 0.602 386 E N 0.911 120.958 120.200 -0.254 0.000 2.248 386 E HA 0.613 4.963 4.350 -0.000 0.000 0.272 386 E C -1.354 175.238 176.600 -0.013 0.000 1.008 386 E CA -0.251 56.127 56.400 -0.036 0.000 0.856 386 E CB 0.502 30.085 29.700 -0.194 0.000 1.120 386 E HN 0.388 nan 8.360 nan 0.000 0.397 387 F N 2.637 122.716 119.950 0.215 0.000 2.495 387 F HA 0.487 5.014 4.527 -0.000 0.000 0.327 387 F C -0.489 175.426 175.800 0.192 0.000 1.103 387 F CA -0.754 57.426 58.000 0.299 0.000 0.949 387 F CB 1.188 40.557 39.000 0.616 0.000 1.142 387 F HN 0.224 nan 8.300 nan 0.000 0.457 388 L N 5.532 126.808 121.223 0.089 0.000 2.427 388 L HA 0.424 4.764 4.340 -0.000 0.000 0.264 388 L C -2.641 173.903 176.870 -0.545 0.000 0.989 388 L CA -1.731 53.040 54.840 -0.115 0.000 0.865 388 L CB 2.061 44.022 42.059 -0.163 0.000 1.209 388 L HN 0.319 nan 8.230 nan 0.000 0.430 389 P HA 0.368 nan 4.420 nan 0.000 0.283 389 P C -0.324 176.948 177.300 -0.047 0.000 1.271 389 P CA -0.467 62.283 63.100 -0.583 0.000 0.841 389 P CB 0.992 32.695 31.700 0.004 0.000 1.122 390 F N -1.812 118.077 119.950 -0.102 0.000 2.905 390 F HA -0.186 4.341 4.527 -0.000 0.000 0.291 390 F C -0.297 175.497 175.800 -0.009 0.000 1.002 390 F CA 0.561 58.591 58.000 0.049 0.000 0.978 390 F CB -1.909 37.173 39.000 0.136 0.000 1.036 390 F HN 0.156 nan 8.300 nan 0.000 0.820 391 L N 0.584 121.832 121.223 0.042 0.000 2.516 391 L HA 0.476 4.816 4.340 -0.000 0.000 0.267 391 L C -0.171 176.821 176.870 0.204 0.000 0.957 391 L CA -0.580 54.299 54.840 0.065 0.000 0.860 391 L CB 2.241 44.150 42.059 -0.251 0.000 1.265 391 L HN 0.140 nan 8.230 nan 0.000 0.403 392 S N 4.848 120.720 115.700 0.287 0.000 2.437 392 S HA 0.623 5.093 4.470 -0.000 0.000 0.305 392 S C -2.436 172.318 174.600 0.256 0.000 1.109 392 S CA -1.500 56.839 58.200 0.232 0.000 1.099 392 S CB 1.416 64.684 63.200 0.112 0.000 1.004 392 S HN 0.315 nan 8.310 nan 0.000 0.475 393 P HA 0.262 nan 4.420 nan 0.000 0.269 393 P C -0.308 176.876 177.300 -0.194 0.000 1.215 393 P CA -0.093 62.884 63.100 -0.205 0.000 0.780 393 P CB 0.906 32.644 31.700 0.063 0.000 0.898 394 R N 0.431 120.746 120.500 -0.308 0.000 2.725 394 R HA 0.311 4.651 4.340 -0.000 0.000 0.207 394 R C 0.031 176.178 176.300 -0.254 0.000 0.924 394 R CA 0.710 56.678 56.100 -0.221 0.000 1.098 394 R CB 0.522 30.738 30.300 -0.140 0.000 1.602 394 R HN 0.428 nan 8.270 nan 0.000 0.615 395 K N -0.239 119.985 120.400 -0.294 0.000 2.557 395 K HA 0.419 4.739 4.320 -0.000 0.000 0.261 395 K C -1.586 174.878 176.600 -0.227 0.000 0.932 395 K CA -0.625 55.515 56.287 -0.244 0.000 0.829 395 K CB 2.367 34.759 32.500 -0.180 0.000 1.358 395 K HN -0.160 nan 8.250 nan 0.000 0.430 396 V N 5.300 125.117 119.914 -0.161 0.000 2.275 396 V HA 0.294 4.414 4.120 -0.000 0.000 0.272 396 V C 0.078 176.127 176.094 -0.074 0.000 1.028 396 V CA -0.927 61.324 62.300 -0.082 0.000 0.810 396 V CB 0.625 32.448 31.823 0.000 0.000 1.043 396 V HN 0.595 nan 8.190 nan 0.000 0.453 397 I N 5.426 125.948 120.570 -0.079 0.000 2.581 397 I HA 0.095 4.265 4.170 -0.000 0.000 0.285 397 I C 0.197 176.306 176.117 -0.014 0.000 1.129 397 I CA 0.564 61.839 61.300 -0.042 0.000 1.397 397 I CB 0.607 38.590 38.000 -0.028 0.000 1.399 397 I HN 0.239 nan 8.210 nan 0.000 0.537 398 V N 7.902 127.809 119.914 -0.012 0.000 2.409 398 V HA 0.449 4.569 4.120 -0.000 0.000 0.291 398 V C 0.120 176.217 176.094 0.004 0.000 1.020 398 V CA -0.862 61.437 62.300 -0.002 0.000 0.848 398 V CB 1.615 33.430 31.823 -0.012 0.000 0.990 398 V HN 0.612 nan 8.190 nan 0.000 0.430 399 K N 3.016 123.424 120.400 0.013 0.000 2.578 399 K HA 0.614 4.934 4.320 -0.000 0.000 0.250 399 K C 0.455 177.064 176.600 0.015 0.000 0.955 399 K CA -0.233 56.063 56.287 0.014 0.000 0.825 399 K CB 1.879 34.391 32.500 0.020 0.000 1.151 399 K HN 1.055 nan 8.250 nan 0.000 0.432 400 G N 1.503 110.310 108.800 0.011 0.000 2.164 400 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.212 400 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.212 400 G C 0.683 175.590 174.900 0.012 0.000 1.031 400 G CA 0.289 45.397 45.100 0.012 0.000 0.730 400 G HN 1.097 nan 8.290 nan 0.000 0.501 401 G N -1.018 107.787 108.800 0.008 0.000 2.189 401 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.267 401 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.267 401 G C 0.406 175.313 174.900 0.010 0.000 0.975 401 G CA 1.570 46.674 45.100 0.006 0.000 0.644 401 G HN 1.885 nan 8.290 nan 0.000 0.537 402 R N -0.683 119.827 120.500 0.016 0.000 2.795 402 R HA 0.774 5.114 4.340 -0.000 0.000 0.275 402 R C 0.046 176.363 176.300 0.028 0.000 0.981 402 R CA -1.345 54.770 56.100 0.025 0.000 0.917 402 R CB 1.492 31.811 30.300 0.032 0.000 1.202 402 R HN 0.140 nan 8.270 nan 0.000 0.469 403 I N 1.806 122.399 120.570 0.038 0.000 2.696 403 I HA 0.009 4.179 4.170 -0.000 0.000 0.284 403 I C 1.260 177.402 176.117 0.042 0.000 1.129 403 I CA -0.261 61.063 61.300 0.040 0.000 1.410 403 I CB 1.351 39.388 38.000 0.062 0.000 1.399 403 I HN 0.687 nan 8.210 nan 0.000 0.579 404 V N 1.159 121.094 119.914 0.036 0.000 3.359 404 V HA 0.676 4.796 4.120 -0.000 0.000 0.270 404 V C 0.236 176.354 176.094 0.039 0.000 1.583 404 V CA 0.381 62.705 62.300 0.040 0.000 1.019 404 V CB 0.213 32.061 31.823 0.041 0.000 0.831 404 V HN 0.834 nan 8.190 nan 0.000 0.426 405 A N -0.464 122.370 122.820 0.023 0.000 2.586 405 A HA 0.828 5.148 4.320 -0.000 0.000 0.291 405 A C -1.567 175.989 177.584 -0.046 0.000 1.062 405 A CA -0.247 51.792 52.037 0.004 0.000 0.666 405 A CB 1.872 20.882 19.000 0.016 0.000 1.281 405 A HN 0.658 nan 8.150 nan 0.000 0.421 406 V N 0.979 120.856 119.914 -0.062 0.000 2.656 406 V HA 0.533 4.653 4.120 -0.000 0.000 0.307 406 V C -0.239 175.670 176.094 -0.309 0.000 1.051 406 V CA -0.435 61.757 62.300 -0.179 0.000 0.893 406 V CB 1.751 33.485 31.823 -0.148 0.000 0.999 406 V HN 0.905 nan 8.190 nan 0.000 0.426 407 Q N 2.875 122.403 119.800 -0.453 0.000 2.290 407 Q HA 0.612 4.952 4.340 -0.000 0.000 0.259 407 Q C -1.646 174.107 176.000 -0.412 0.000 0.941 407 Q CA -0.285 55.290 55.803 -0.381 0.000 0.912 407 Q CB 1.119 29.657 28.738 -0.333 0.000 1.244 407 Q HN 0.616 nan 8.270 nan 0.000 0.441 408 F N 1.551 121.470 119.950 -0.052 0.000 2.585 408 F HA 0.715 5.242 4.527 -0.000 0.000 0.350 408 F C -0.278 175.530 175.800 0.014 0.000 1.074 408 F CA -0.906 57.091 58.000 -0.006 0.000 1.032 408 F CB 1.472 40.474 39.000 0.004 0.000 1.330 408 F HN 0.251 nan 8.300 nan 0.000 0.495 409 V N 1.273 121.345 119.914 0.263 0.000 2.851 409 V HA 0.460 4.580 4.120 -0.000 0.000 0.307 409 V C -0.715 175.484 176.094 0.176 0.000 1.129 409 V CA -0.885 61.514 62.300 0.164 0.000 0.932 409 V CB 2.117 34.003 31.823 0.104 0.000 1.024 409 V HN 0.635 nan 8.190 nan 0.000 0.426 410 R N 2.351 122.938 120.500 0.144 0.000 2.641 410 R HA 0.542 4.882 4.340 -0.000 0.000 0.269 410 R C 0.033 176.445 176.300 0.188 0.000 1.074 410 R CA 0.166 56.359 56.100 0.155 0.000 1.133 410 R CB 0.912 31.276 30.300 0.108 0.000 1.029 410 R HN 0.863 nan 8.270 nan 0.000 0.488 411 T N -1.462 113.260 114.554 0.279 0.000 2.930 411 T HA 0.639 4.989 4.350 -0.000 0.000 0.290 411 T C -0.706 174.241 174.700 0.411 0.000 1.052 411 T CA -0.931 61.392 62.100 0.372 0.000 1.017 411 T CB 2.243 71.401 68.868 0.484 0.000 1.137 411 T HN 0.446 nan 8.240 nan 0.000 0.511 412 E N -0.198 120.220 120.200 0.363 0.000 2.378 412 E HA 0.300 4.650 4.350 -0.000 0.000 0.283 412 E C -1.798 174.737 176.600 -0.109 0.000 0.979 412 E CA -0.423 56.051 56.400 0.123 0.000 0.795 412 E CB 2.287 31.984 29.700 -0.006 0.000 1.221 412 E HN 0.758 nan 8.360 nan 0.000 0.428 413 Q N 2.561 122.111 119.800 -0.418 0.000 2.314 413 Q HA 0.340 4.680 4.340 -0.000 0.000 0.259 413 Q C -0.734 175.057 176.000 -0.348 0.000 0.951 413 Q CA -0.773 54.609 55.803 -0.702 0.000 0.909 413 Q CB 0.762 28.785 28.738 -1.193 0.000 1.236 413 Q HN 0.596 nan 8.270 nan 0.000 0.444 414 D N 1.540 121.787 120.400 -0.256 0.000 2.478 414 D HA -0.048 4.592 4.640 -0.000 0.000 0.269 414 D C 0.870 177.093 176.300 -0.128 0.000 1.232 414 D CA -0.258 53.654 54.000 -0.147 0.000 1.059 414 D CB 0.476 41.221 40.800 -0.092 0.000 1.104 414 D HN 0.707 nan 8.370 nan 0.000 0.566 415 E N -0.754 119.397 120.200 -0.081 0.000 2.045 415 E HA -0.363 3.987 4.350 -0.000 0.000 0.212 415 E C 1.733 178.299 176.600 -0.055 0.000 1.039 415 E CA 2.968 59.333 56.400 -0.059 0.000 0.860 415 E CB -0.686 28.991 29.700 -0.039 0.000 0.776 415 E HN 0.657 nan 8.360 nan 0.000 0.467 416 T N -2.716 111.811 114.554 -0.045 0.000 2.918 416 T HA -0.056 4.294 4.350 -0.000 0.000 0.271 416 T C 1.447 176.124 174.700 -0.038 0.000 1.104 416 T CA 1.347 63.429 62.100 -0.030 0.000 1.114 416 T CB -0.608 68.250 68.868 -0.016 0.000 0.855 416 T HN 0.712 nan 8.240 nan 0.000 0.518 417 G N 0.801 109.550 108.800 -0.085 0.000 2.142 417 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.225 417 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.225 417 G C -0.218 174.600 174.900 -0.136 0.000 1.015 417 G CA 0.177 45.206 45.100 -0.120 0.000 0.716 417 G HN 0.885 nan 8.290 nan 0.000 0.508 418 K N -0.704 119.613 120.400 -0.138 0.000 2.123 418 K HA 0.604 4.924 4.320 -0.000 0.000 0.248 418 K C -0.611 175.889 176.600 -0.167 0.000 0.969 418 K CA -1.161 55.097 56.287 -0.047 0.000 0.882 418 K CB 0.880 33.392 32.500 0.019 0.000 1.080 418 K HN 0.089 nan 8.250 nan 0.000 0.441 419 W N 2.534 123.865 121.300 0.050 0.000 2.349 419 W HA 0.361 5.021 4.660 -0.000 0.000 0.309 419 W C -0.243 176.309 176.519 0.055 0.000 1.083 419 W CA -0.608 56.776 57.345 0.065 0.000 1.224 419 W CB 1.047 30.546 29.460 0.065 0.000 1.256 419 W HN 0.416 nan 8.180 nan 0.000 0.461 420 N N 2.559 121.395 118.700 0.227 0.000 2.370 420 N HA 0.343 5.083 4.740 -0.000 0.000 0.303 420 N C -1.053 174.565 175.510 0.179 0.000 1.103 420 N CA -0.840 52.304 53.050 0.156 0.000 0.848 420 N CB 1.961 40.495 38.487 0.079 0.000 1.235 420 N HN 0.475 nan 8.380 nan 0.000 0.496 421 E N 0.312 120.592 120.200 0.134 0.000 2.186 421 E HA 0.083 4.433 4.350 -0.000 0.000 0.255 421 E C -1.250 175.403 176.600 0.088 0.000 0.881 421 E CA -0.605 55.870 56.400 0.126 0.000 0.752 421 E CB 1.401 31.167 29.700 0.110 0.000 1.176 421 E HN 0.359 nan 8.360 nan 0.000 0.421 422 D N 3.483 123.933 120.400 0.084 0.000 2.398 422 D HA -0.028 4.612 4.640 -0.000 0.000 0.250 422 D C 0.555 176.889 176.300 0.057 0.000 1.287 422 D CA 0.233 54.269 54.000 0.060 0.000 0.992 422 D CB 0.411 41.242 40.800 0.051 0.000 1.071 422 D HN 0.343 nan 8.370 nan 0.000 0.514 423 E N 2.002 122.230 120.200 0.047 0.000 2.501 423 E HA -0.154 4.196 4.350 -0.000 0.000 0.203 423 E C 0.364 176.986 176.600 0.037 0.000 1.072 423 E CA 0.501 56.924 56.400 0.040 0.000 0.885 423 E CB 0.286 30.003 29.700 0.028 0.000 0.813 423 E HN 0.543 nan 8.360 nan 0.000 0.556 424 D N 0.708 121.131 120.400 0.037 0.000 2.201 424 D HA -0.045 4.595 4.640 -0.000 0.000 0.209 424 D C 0.296 176.620 176.300 0.041 0.000 0.961 424 D CA 0.665 54.685 54.000 0.033 0.000 0.861 424 D CB 0.206 41.022 40.800 0.026 0.000 0.997 424 D HN 0.097 nan 8.370 nan 0.000 0.486 425 Q N 1.417 121.246 119.800 0.048 0.000 2.664 425 Q HA 0.248 4.588 4.340 -0.000 0.000 0.223 425 Q C -0.040 176.008 176.000 0.079 0.000 1.298 425 Q CA -0.125 55.712 55.803 0.057 0.000 0.965 425 Q CB 0.352 29.121 28.738 0.052 0.000 1.510 425 Q HN 0.344 nan 8.270 nan 0.000 0.567 426 I N -0.860 119.762 120.570 0.086 0.000 3.004 426 I HA 0.350 4.520 4.170 -0.000 0.000 0.287 426 I C 0.055 176.264 176.117 0.153 0.000 1.144 426 I CA -1.035 60.337 61.300 0.119 0.000 1.353 426 I CB 0.580 38.658 38.000 0.131 0.000 1.417 426 I HN 0.027 nan 8.210 nan 0.000 0.602 427 V N 1.995 122.031 119.914 0.203 0.000 2.655 427 V HA 0.255 4.375 4.120 -0.000 0.000 0.301 427 V C -1.044 175.210 176.094 0.266 0.000 1.082 427 V CA -0.620 61.813 62.300 0.222 0.000 0.899 427 V CB 1.312 33.253 31.823 0.197 0.000 1.014 427 V HN 0.594 nan 8.190 nan 0.000 0.429 428 H N 4.359 123.492 119.070 0.104 0.000 2.556 428 H HA 0.702 5.257 4.556 -0.000 0.000 0.310 428 H C -0.625 174.749 175.328 0.077 0.000 1.057 428 H CA -0.175 55.929 56.048 0.094 0.000 1.264 428 H CB 1.323 31.112 29.762 0.046 0.000 1.404 428 H HN 0.529 nan 8.280 nan 0.000 0.462 429 L N 3.708 125.014 121.223 0.138 0.000 2.325 429 L HA 0.347 4.687 4.340 -0.000 0.000 0.281 429 L C 0.251 177.130 176.870 0.015 0.000 1.004 429 L CA -0.812 54.053 54.840 0.041 0.000 0.823 429 L CB 1.589 43.675 42.059 0.046 0.000 1.236 429 L HN 0.471 nan 8.230 nan 0.000 0.415 430 K N 2.555 122.934 120.400 -0.035 0.000 2.336 430 K HA 0.594 4.914 4.320 -0.000 0.000 0.262 430 K C -0.582 176.004 176.600 -0.023 0.000 0.992 430 K CA 0.042 56.324 56.287 -0.010 0.000 0.927 430 K CB 0.808 33.304 32.500 -0.007 0.000 0.956 430 K HN 0.722 nan 8.250 nan 0.000 0.495 431 A N 3.026 125.859 122.820 0.022 0.000 2.573 431 A HA 0.233 4.552 4.320 -0.000 0.000 0.299 431 A C -1.275 176.343 177.584 0.056 0.000 1.060 431 A CA -0.772 51.291 52.037 0.043 0.000 0.736 431 A CB 1.104 20.136 19.000 0.053 0.000 1.280 431 A HN 0.789 nan 8.150 nan 0.000 0.401 432 D N -0.114 120.325 120.400 0.065 0.000 2.392 432 D HA 0.354 4.994 4.640 -0.000 0.000 0.206 432 D C 0.144 176.487 176.300 0.072 0.000 1.046 432 D CA 1.041 55.080 54.000 0.065 0.000 0.865 432 D CB 0.962 41.801 40.800 0.065 0.000 0.969 432 D HN 0.369 nan 8.370 nan 0.000 0.509 433 V N 0.314 120.267 119.914 0.064 0.000 3.012 433 V HA 0.503 4.623 4.120 -0.000 0.000 0.307 433 V C -0.917 175.192 176.094 0.024 0.000 1.166 433 V CA -0.936 61.401 62.300 0.060 0.000 0.974 433 V CB 2.991 34.825 31.823 0.019 0.000 1.040 433 V HN -0.309 nan 8.190 nan 0.000 0.428 434 V N 4.535 124.460 119.914 0.018 0.000 2.623 434 V HA 0.587 4.707 4.120 -0.000 0.000 0.304 434 V C -0.850 175.081 176.094 -0.271 0.000 1.054 434 V CA -0.303 61.967 62.300 -0.050 0.000 0.882 434 V CB 1.964 33.842 31.823 0.092 0.000 1.002 434 V HN 0.712 nan 8.190 nan 0.000 0.424 435 I N 3.866 124.215 120.570 -0.368 0.000 2.447 435 I HA 0.495 4.665 4.170 -0.000 0.000 0.287 435 I C 0.047 175.865 176.117 -0.498 0.000 1.023 435 I CA -0.483 60.500 61.300 -0.528 0.000 1.083 435 I CB 2.251 39.907 38.000 -0.574 0.000 1.245 435 I HN 0.644 nan 8.210 nan 0.000 0.434 436 S N 4.683 119.973 115.700 -0.683 0.000 2.442 436 S HA 0.723 5.193 4.470 -0.000 0.000 0.297 436 S C 0.010 174.315 174.600 -0.490 0.000 1.131 436 S CA -0.545 57.203 58.200 -0.753 0.000 1.092 436 S CB 1.668 64.109 63.200 -1.266 0.000 0.998 436 S HN 0.743 nan 8.310 nan 0.000 0.478 437 A N 4.264 126.955 122.820 -0.214 0.000 3.215 437 A HA 0.522 4.842 4.320 -0.000 0.000 0.320 437 A C 0.211 177.949 177.584 0.256 0.000 1.084 437 A CA -0.805 51.226 52.037 -0.011 0.000 0.969 437 A CB -0.737 18.257 19.000 -0.010 0.000 1.064 437 A HN 0.943 nan 8.150 nan 0.000 0.513 438 F N 0.568 120.516 119.950 -0.004 0.000 2.789 438 F HA 0.333 4.860 4.527 -0.000 0.000 0.300 438 F C 1.564 177.369 175.800 0.009 0.000 1.132 438 F CA 0.452 58.463 58.000 0.018 0.000 1.404 438 F CB 0.428 39.464 39.000 0.060 0.000 1.114 438 F HN 0.622 nan 8.300 nan 0.000 0.584 439 G N 0.234 109.141 108.800 0.179 0.000 2.343 439 G HA2 0.044 4.004 3.960 -0.000 0.000 0.562 439 G HA3 0.044 4.004 3.960 -0.000 0.000 0.562 439 G C -1.360 173.587 174.900 0.078 0.000 1.269 439 G CA -0.909 44.251 45.100 0.101 0.000 1.011 439 G HN 0.025 nan 8.290 nan 0.000 0.498 440 S N -1.425 114.310 115.700 0.058 0.000 2.595 440 S HA 0.941 5.411 4.470 -0.000 0.000 0.281 440 S C -0.001 174.630 174.600 0.052 0.000 1.117 440 S CA -0.033 58.199 58.200 0.052 0.000 0.873 440 S CB 1.954 65.179 63.200 0.042 0.000 1.108 440 S HN 2.150 nan 8.310 nan 0.000 0.477 441 V N -1.058 118.890 119.914 0.057 0.000 3.130 441 V HA 0.806 4.926 4.120 -0.000 0.000 0.308 441 V C -2.014 174.119 176.094 0.066 0.000 1.413 441 V CA -1.051 61.287 62.300 0.063 0.000 1.053 441 V CB 1.676 33.541 31.823 0.070 0.000 1.075 441 V HN 0.700 nan 8.190 nan 0.000 0.465 442 L N 0.924 122.196 121.223 0.081 0.000 2.345 442 L HA 0.702 5.042 4.340 -0.000 0.000 0.274 442 L C 0.552 177.471 176.870 0.083 0.000 0.999 442 L CA 0.251 55.142 54.840 0.085 0.000 0.849 442 L CB 1.045 43.172 42.059 0.115 0.000 1.220 442 L HN 0.771 nan 8.230 nan 0.000 0.422 443 R N 1.006 121.542 120.500 0.060 0.000 2.197 443 R HA 0.164 4.504 4.340 -0.000 0.000 0.188 443 R C -0.244 176.071 176.300 0.025 0.000 1.015 443 R CA -0.374 55.752 56.100 0.043 0.000 1.132 443 R CB 0.173 30.498 30.300 0.042 0.000 1.134 443 R HN 0.642 nan 8.270 nan 0.000 0.560 444 D N 2.914 123.329 120.400 0.026 0.000 3.941 444 D HA -0.083 4.557 4.640 -0.000 0.000 0.225 444 D C -1.764 174.538 176.300 0.003 0.000 1.298 444 D CA -0.406 53.603 54.000 0.015 0.000 0.835 444 D CB 0.956 41.766 40.800 0.018 0.000 1.205 444 D HN 0.030 nan 8.370 nan 0.000 0.644 445 P HA -0.129 nan 4.420 nan 0.000 0.221 445 P C 1.143 178.428 177.300 -0.026 0.000 1.145 445 P CA 1.060 64.142 63.100 -0.030 0.000 0.795 445 P CB 0.244 31.925 31.700 -0.031 0.000 0.775 446 K N -0.621 119.772 120.400 -0.012 0.000 2.057 446 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 446 K C 1.889 178.486 176.600 -0.004 0.000 1.049 446 K CA 1.292 57.573 56.287 -0.009 0.000 0.931 446 K CB -0.778 31.719 32.500 -0.005 0.000 0.714 446 K HN 0.057 nan 8.250 nan 0.000 0.440 447 V N 1.722 121.639 119.914 0.005 0.000 2.283 447 V HA -0.207 3.913 4.120 -0.000 0.000 0.243 447 V C 2.029 178.142 176.094 0.031 0.000 1.039 447 V CA 1.559 63.869 62.300 0.018 0.000 1.016 447 V CB -0.432 31.408 31.823 0.028 0.000 0.650 447 V HN 0.254 nan 8.190 nan 0.000 0.449 448 K N -0.158 120.255 120.400 0.021 0.000 2.228 448 K HA -0.308 4.012 4.320 -0.000 0.000 0.205 448 K C 2.147 178.714 176.600 -0.054 0.000 1.045 448 K CA 2.100 58.379 56.287 -0.013 0.000 0.931 448 K CB -0.104 32.316 32.500 -0.134 0.000 0.727 448 K HN 0.537 nan 8.250 nan 0.000 0.458 449 E N 0.474 120.651 120.200 -0.039 0.000 2.051 449 E HA -0.044 4.306 4.350 -0.000 0.000 0.189 449 E C 1.696 178.299 176.600 0.004 0.000 0.979 449 E CA 0.992 57.372 56.400 -0.034 0.000 0.803 449 E CB -0.078 29.604 29.700 -0.030 0.000 0.761 449 E HN 0.256 nan 8.360 nan 0.000 0.451 450 A N 0.490 123.318 122.820 0.013 0.000 2.194 450 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 450 A C 1.857 179.462 177.584 0.035 0.000 1.162 450 A CA 1.078 53.128 52.037 0.022 0.000 0.674 450 A CB -0.587 18.420 19.000 0.012 0.000 0.789 450 A HN 0.370 nan 8.150 nan 0.000 0.470 451 L N -0.678 120.578 121.223 0.057 0.000 2.607 451 L HA 0.103 4.443 4.340 -0.000 0.000 0.228 451 L C 1.234 178.154 176.870 0.085 0.000 1.123 451 L CA -0.171 54.714 54.840 0.074 0.000 0.890 451 L CB -0.017 42.143 42.059 0.168 0.000 1.103 451 L HN 0.337 nan 8.230 nan 0.000 0.468 452 S N 1.924 117.662 115.700 0.064 0.000 2.558 452 S HA 0.092 4.562 4.470 -0.000 0.000 0.288 452 S C -1.766 172.873 174.600 0.066 0.000 1.318 452 S CA -0.746 57.486 58.200 0.054 0.000 1.056 452 S CB 0.545 63.761 63.200 0.026 0.000 0.853 452 S HN 0.071 nan 8.310 nan 0.000 0.505 453 P HA 0.260 nan 4.420 nan 0.000 0.253 453 P C 0.064 177.398 177.300 0.056 0.000 1.863 453 P CA -0.403 62.728 63.100 0.053 0.000 1.145 453 P CB -0.717 31.010 31.700 0.045 0.000 1.666 454 I N -2.378 118.233 120.570 0.068 0.000 2.648 454 I HA 0.236 4.406 4.170 -0.000 0.000 0.284 454 I C 0.265 176.479 176.117 0.162 0.000 1.153 454 I CA -0.497 60.824 61.300 0.036 0.000 1.426 454 I CB 0.705 38.671 38.000 -0.057 0.000 1.381 454 I HN -0.142 nan 8.210 nan 0.000 0.571 455 K N 5.303 125.744 120.400 0.069 0.000 2.368 455 K HA 0.285 4.605 4.320 -0.000 0.000 0.282 455 K C -1.414 175.277 176.600 0.152 0.000 1.035 455 K CA -0.320 56.035 56.287 0.112 0.000 0.973 455 K CB 0.508 33.011 32.500 0.006 0.000 0.957 455 K HN 0.522 nan 8.250 nan 0.000 0.474 456 F N 3.164 123.070 119.950 -0.073 0.000 2.450 456 F HA 0.224 4.751 4.527 -0.000 0.000 0.332 456 F C 0.676 176.420 175.800 -0.094 0.000 1.093 456 F CA -0.862 57.095 58.000 -0.072 0.000 1.003 456 F CB 1.238 40.213 39.000 -0.043 0.000 1.151 456 F HN 0.682 nan 8.300 nan 0.000 0.474 457 N N 1.313 120.012 118.700 -0.002 0.000 2.381 457 N HA 0.269 5.009 4.740 -0.000 0.000 0.289 457 N C 0.745 176.217 175.510 -0.064 0.000 1.288 457 N CA -0.412 52.558 53.050 -0.133 0.000 0.960 457 N CB 0.428 38.690 38.487 -0.375 0.000 1.116 457 N HN 0.468 nan 8.380 nan 0.000 0.557 458 R N -1.687 118.712 120.500 -0.169 0.000 2.115 458 R HA -0.021 4.319 4.340 -0.000 0.000 0.230 458 R C 0.662 177.065 176.300 0.171 0.000 1.111 458 R CA 1.115 57.204 56.100 -0.018 0.000 0.976 458 R CB -0.215 30.076 30.300 -0.015 0.000 0.870 458 R HN 0.619 nan 8.270 nan 0.000 0.445 459 W N 0.995 122.323 121.300 0.047 0.000 3.204 459 W HA 0.052 4.712 4.660 -0.000 0.000 0.249 459 W C -0.046 176.521 176.519 0.079 0.000 1.322 459 W CA -0.568 56.806 57.345 0.047 0.000 1.593 459 W CB -0.629 28.848 29.460 0.028 0.000 1.122 459 W HN 0.121 nan 8.180 nan 0.000 0.710 460 D N 0.140 120.716 120.400 0.294 0.000 2.800 460 D HA -0.178 4.461 4.640 -0.000 0.000 0.232 460 D C -0.404 176.155 176.300 0.432 0.000 1.137 460 D CA 0.943 55.138 54.000 0.325 0.000 0.718 460 D CB -1.389 39.541 40.800 0.217 0.000 1.084 460 D HN 0.169 nan 8.370 nan 0.000 0.432 461 L N -0.196 121.198 121.223 0.286 0.000 2.388 461 L HA 0.491 4.830 4.340 -0.000 0.000 0.264 461 L C -2.041 174.551 176.870 -0.464 0.000 0.998 461 L CA -1.951 52.902 54.840 0.021 0.000 0.817 461 L CB 2.381 44.511 42.059 0.118 0.000 1.338 461 L HN -0.272 nan 8.230 nan 0.000 0.414 462 P HA -0.050 nan 4.420 nan 0.000 0.265 462 P C -1.006 176.014 177.300 -0.466 0.000 1.187 462 P CA 0.052 62.557 63.100 -0.991 0.000 0.766 462 P CB 0.709 31.951 31.700 -0.763 0.000 0.820 463 E N 2.534 122.507 120.200 -0.379 0.000 2.197 463 E HA 0.424 4.774 4.350 -0.000 0.000 0.281 463 E C -0.830 175.639 176.600 -0.219 0.000 0.995 463 E CA -0.804 55.442 56.400 -0.257 0.000 0.808 463 E CB 0.739 30.311 29.700 -0.214 0.000 1.093 463 E HN 0.310 nan 8.360 nan 0.000 0.394 464 V N 1.119 120.930 119.914 -0.171 0.000 3.078 464 V HA 0.506 4.626 4.120 -0.000 0.000 0.311 464 V C -0.405 175.622 176.094 -0.112 0.000 1.138 464 V CA -1.185 61.031 62.300 -0.141 0.000 1.007 464 V CB 1.933 33.705 31.823 -0.085 0.000 1.045 464 V HN 0.744 nan 8.190 nan 0.000 0.432 465 D N 4.512 124.843 120.400 -0.114 0.000 2.358 465 D HA 0.224 4.864 4.640 -0.000 0.000 0.258 465 D C -1.231 175.036 176.300 -0.056 0.000 1.223 465 D CA -1.371 52.570 54.000 -0.099 0.000 0.886 465 D CB 2.087 42.810 40.800 -0.129 0.000 1.120 465 D HN 0.532 nan 8.370 nan 0.000 0.482 466 P HA -0.222 nan 4.420 nan 0.000 0.218 466 P C 0.935 178.249 177.300 0.023 0.000 1.146 466 P CA 1.255 64.357 63.100 0.004 0.000 0.820 466 P CB 0.541 32.245 31.700 0.006 0.000 0.778 467 E N 0.179 120.373 120.200 -0.010 0.000 2.166 467 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 467 E C 1.837 178.409 176.600 -0.047 0.000 0.967 467 E CA 1.546 57.950 56.400 0.006 0.000 0.840 467 E CB -0.692 28.993 29.700 -0.025 0.000 0.795 467 E HN 0.254 nan 8.360 nan 0.000 0.470 468 T N -2.387 112.045 114.554 -0.205 0.000 3.022 468 T HA 0.162 4.512 4.350 -0.000 0.000 0.250 468 T C 0.825 175.630 174.700 0.176 0.000 1.060 468 T CA 0.290 62.194 62.100 -0.328 0.000 1.013 468 T CB 0.170 68.753 68.868 -0.476 0.000 0.982 468 T HN 0.082 nan 8.240 nan 0.000 0.508 469 M N 0.126 119.809 119.600 0.138 0.000 2.856 469 M HA -0.172 4.308 4.480 -0.000 0.000 0.189 469 M C 0.092 176.530 176.300 0.229 0.000 0.612 469 M CA 0.600 56.039 55.300 0.232 0.000 0.673 469 M CB -2.717 30.094 32.600 0.353 0.000 2.440 469 M HN 0.706 nan 8.290 nan 0.000 0.437 470 Q N 1.622 121.392 119.800 -0.051 0.000 2.256 470 Q HA 0.457 4.797 4.340 -0.000 0.000 0.254 470 Q C 0.675 176.435 176.000 -0.399 0.000 0.916 470 Q CA 0.223 55.687 55.803 -0.566 0.000 0.932 470 Q CB 1.348 29.664 28.738 -0.704 0.000 1.207 470 Q HN 0.434 nan 8.270 nan 0.000 0.426 471 T N -0.172 114.112 114.554 -0.451 0.000 2.814 471 T HA 0.132 4.482 4.350 -0.000 0.000 0.284 471 T C 1.345 175.863 174.700 -0.303 0.000 0.998 471 T CA -0.038 61.865 62.100 -0.328 0.000 0.935 471 T CB 0.779 69.451 68.868 -0.326 0.000 1.167 471 T HN 0.730 nan 8.240 nan 0.000 0.545 472 S N -0.506 115.063 115.700 -0.218 0.000 2.440 472 S HA -0.085 4.385 4.470 -0.000 0.000 0.238 472 S C 0.501 175.008 174.600 -0.155 0.000 1.010 472 S CA 0.581 58.687 58.200 -0.156 0.000 0.972 472 S CB -0.573 62.569 63.200 -0.095 0.000 0.774 472 S HN 0.746 nan 8.310 nan 0.000 0.501 473 E N 1.965 122.034 120.200 -0.219 0.000 2.055 473 E HA 0.284 4.634 4.350 -0.000 0.000 0.274 473 E C -2.116 174.289 176.600 -0.325 0.000 0.949 473 E CA -2.506 53.782 56.400 -0.186 0.000 0.775 473 E CB 1.353 30.936 29.700 -0.196 0.000 1.097 473 E HN 0.106 nan 8.360 nan 0.000 0.404 474 P HA -0.208 nan 4.420 nan 0.000 0.222 474 P C 1.037 177.891 177.300 -0.743 0.000 1.154 474 P CA 1.540 64.442 63.100 -0.330 0.000 0.874 474 P CB -0.014 31.706 31.700 0.033 0.000 0.787 475 W N -2.102 118.835 121.300 -0.605 0.000 3.290 475 W HA 0.341 5.001 4.660 -0.000 0.000 0.287 475 W C -0.888 175.533 176.519 -0.164 0.000 1.288 475 W CA 0.097 57.119 57.345 -0.539 0.000 1.725 475 W CB -0.667 28.732 29.460 -0.102 0.000 1.103 475 W HN -0.299 nan 8.180 nan 0.000 0.670 476 V N 2.849 122.286 119.914 -0.795 0.000 2.409 476 V HA 0.407 4.527 4.120 -0.000 0.000 0.291 476 V C -0.924 174.898 176.094 -0.453 0.000 1.020 476 V CA -0.381 61.523 62.300 -0.660 0.000 0.848 476 V CB 0.784 32.092 31.823 -0.858 0.000 0.990 476 V HN -0.176 nan 8.190 nan 0.000 0.430 477 F N 2.329 122.161 119.950 -0.196 0.000 2.579 477 F HA 0.930 5.457 4.527 -0.000 0.000 0.324 477 F C 0.406 176.173 175.800 -0.055 0.000 1.058 477 F CA -0.645 57.331 58.000 -0.040 0.000 0.944 477 F CB 2.106 41.187 39.000 0.135 0.000 1.245 477 F HN 0.596 nan 8.300 nan 0.000 0.477 478 A N 0.185 123.090 122.820 0.143 0.000 2.530 478 A HA 1.010 5.330 4.320 -0.000 0.000 0.288 478 A C -0.641 177.011 177.584 0.114 0.000 1.172 478 A CA -0.317 51.609 52.037 -0.186 0.000 0.733 478 A CB 1.758 20.622 19.000 -0.228 0.000 1.320 478 A HN 1.402 nan 8.150 nan 0.000 0.419 479 G N -2.147 106.627 108.800 -0.044 0.000 2.338 479 G HA2 0.750 4.710 3.960 -0.000 0.000 0.295 479 G HA3 0.750 4.710 3.960 -0.000 0.000 0.295 479 G C 0.155 175.150 174.900 0.158 0.000 1.461 479 G CA 0.908 46.150 45.100 0.236 0.000 0.817 479 G HN 2.726 nan 8.290 nan 0.000 0.556 480 G N 0.098 108.993 108.800 0.158 0.000 2.508 480 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.220 480 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.220 480 G C 0.524 175.464 174.900 0.066 0.000 1.287 480 G CA 0.871 46.039 45.100 0.113 0.000 0.916 480 G HN 0.954 nan 8.290 nan 0.000 0.574 481 D N -0.481 119.948 120.400 0.049 0.000 2.144 481 D HA -0.039 4.601 4.640 -0.000 0.000 0.199 481 D C 2.469 178.786 176.300 0.029 0.000 0.984 481 D CA 1.288 55.310 54.000 0.036 0.000 0.834 481 D CB -0.126 40.693 40.800 0.032 0.000 0.955 481 D HN 0.448 nan 8.370 nan 0.000 0.465 482 I N 0.110 120.684 120.570 0.006 0.000 2.399 482 I HA -0.224 3.946 4.170 -0.000 0.000 0.254 482 I C 1.815 177.927 176.117 -0.008 0.000 1.146 482 I CA 1.052 62.343 61.300 -0.016 0.000 1.412 482 I CB 0.104 38.059 38.000 -0.076 0.000 1.076 482 I HN -0.137 nan 8.210 nan 0.000 0.432 483 V N 0.596 120.519 119.914 0.014 0.000 3.235 483 V HA 0.216 4.336 4.120 -0.000 0.000 0.259 483 V C 1.894 178.083 176.094 0.158 0.000 1.133 483 V CA 0.953 63.281 62.300 0.047 0.000 1.128 483 V CB -0.765 31.085 31.823 0.045 0.000 0.757 483 V HN 0.686 nan 8.190 nan 0.000 0.469 484 G N -0.339 108.534 108.800 0.123 0.000 2.179 484 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.260 484 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.260 484 G C 0.727 175.673 174.900 0.075 0.000 0.977 484 G CA 0.875 46.040 45.100 0.108 0.000 0.641 484 G HN 0.403 nan 8.290 nan 0.000 0.533 485 M N 0.173 119.842 119.600 0.115 0.000 2.412 485 M HA 0.393 4.872 4.480 -0.000 0.000 0.263 485 M C 1.829 178.156 176.300 0.045 0.000 1.122 485 M CA 1.132 56.488 55.300 0.093 0.000 1.179 485 M CB 0.177 32.849 32.600 0.120 0.000 1.335 485 M HN 0.466 nan 8.290 nan 0.000 0.465 486 A N 1.395 124.245 122.820 0.049 0.000 2.440 486 A HA 0.159 4.479 4.320 -0.000 0.000 0.251 486 A C 0.136 177.731 177.584 0.018 0.000 1.089 486 A CA -0.012 52.047 52.037 0.036 0.000 0.779 486 A CB -0.169 18.859 19.000 0.048 0.000 1.022 486 A HN 0.599 nan 8.150 nan 0.000 0.492 487 N N 0.218 118.924 118.700 0.009 0.000 2.197 487 N HA 0.096 4.836 4.740 -0.000 0.000 0.228 487 N C -0.519 174.993 175.510 0.003 0.000 1.212 487 N CA 0.486 53.535 53.050 -0.001 0.000 0.883 487 N CB 0.887 39.366 38.487 -0.013 0.000 1.107 487 N HN 0.811 nan 8.380 nan 0.000 0.519 488 T N -3.979 110.581 114.554 0.011 0.000 2.816 488 T HA 0.245 4.595 4.350 -0.000 0.000 0.299 488 T C 0.887 175.596 174.700 0.016 0.000 1.230 488 T CA -0.531 61.574 62.100 0.009 0.000 1.007 488 T CB 1.909 70.779 68.868 0.004 0.000 1.289 488 T HN -0.267 nan 8.240 nan 0.000 0.508 489 T N 0.722 115.283 114.554 0.011 0.000 2.737 489 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 489 T C 2.080 176.787 174.700 0.012 0.000 1.038 489 T CA 1.409 63.517 62.100 0.014 0.000 1.144 489 T CB -0.355 68.516 68.868 0.004 0.000 0.866 489 T HN 0.542 nan 8.240 nan 0.000 0.434 490 V N 1.439 121.355 119.914 0.002 0.000 2.392 490 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 490 V C 2.290 178.391 176.094 0.013 0.000 1.059 490 V CA 1.993 64.292 62.300 -0.001 0.000 1.051 490 V CB -0.425 31.395 31.823 -0.006 0.000 0.658 490 V HN 0.537 nan 8.190 nan 0.000 0.455 491 E N -0.445 119.767 120.200 0.019 0.000 2.152 491 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 491 E C 2.326 178.951 176.600 0.042 0.000 0.983 491 E CA 1.326 57.743 56.400 0.028 0.000 0.818 491 E CB -0.076 29.641 29.700 0.028 0.000 0.758 491 E HN 0.652 nan 8.360 nan 0.000 0.467 492 S N 0.273 116.002 115.700 0.049 0.000 2.414 492 S HA -0.075 4.395 4.470 -0.000 0.000 0.227 492 S C 2.153 176.799 174.600 0.078 0.000 1.022 492 S CA 0.439 58.685 58.200 0.076 0.000 0.958 492 S CB 0.063 63.310 63.200 0.077 0.000 0.797 492 S HN 0.040 nan 8.310 nan 0.000 0.493 493 V N 2.875 122.821 119.914 0.053 0.000 2.343 493 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 493 V C 2.341 178.455 176.094 0.032 0.000 1.051 493 V CA 1.937 64.269 62.300 0.052 0.000 1.036 493 V CB -0.864 30.980 31.823 0.035 0.000 0.654 493 V HN 0.470 nan 8.190 nan 0.000 0.451 494 N N 0.277 118.985 118.700 0.014 0.000 2.223 494 N HA -0.179 4.561 4.740 -0.000 0.000 0.185 494 N C 1.452 176.943 175.510 -0.033 0.000 1.016 494 N CA 1.518 54.554 53.050 -0.024 0.000 0.863 494 N CB -0.193 38.292 38.487 -0.004 0.000 0.983 494 N HN 0.428 nan 8.380 nan 0.000 0.429 495 D N -0.720 119.693 120.400 0.023 0.000 2.084 495 D HA -0.048 4.592 4.640 -0.000 0.000 0.194 495 D C 1.896 178.192 176.300 -0.007 0.000 0.990 495 D CA 1.459 55.495 54.000 0.061 0.000 0.826 495 D CB -0.936 39.947 40.800 0.139 0.000 0.971 495 D HN 0.425 nan 8.370 nan 0.000 0.453 496 G N 0.812 109.582 108.800 -0.049 0.000 2.446 496 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.217 496 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.217 496 G C 1.542 176.254 174.900 -0.314 0.000 1.168 496 G CA 1.144 46.049 45.100 -0.325 0.000 0.771 496 G HN 0.277 nan 8.290 nan 0.000 0.551 497 K N -0.265 119.989 120.400 -0.243 0.000 2.009 497 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 497 K C 2.570 178.920 176.600 -0.417 0.000 1.049 497 K CA 1.813 57.762 56.287 -0.563 0.000 0.929 497 K CB -0.227 31.858 32.500 -0.692 0.000 0.714 497 K HN 0.274 nan 8.250 nan 0.000 0.440 498 Q N 0.638 120.305 119.800 -0.222 0.000 2.014 498 Q HA -0.174 4.166 4.340 -0.000 0.000 0.207 498 Q C 1.819 177.829 176.000 0.016 0.000 0.993 498 Q CA 2.508 58.272 55.803 -0.065 0.000 0.850 498 Q CB -0.675 28.088 28.738 0.041 0.000 0.916 498 Q HN 0.428 nan 8.270 nan 0.000 0.417 499 A N -0.094 122.712 122.820 -0.023 0.000 1.908 499 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 499 A C 2.288 179.726 177.584 -0.243 0.000 1.181 499 A CA 2.516 54.522 52.037 -0.051 0.000 0.627 499 A CB -1.316 17.603 19.000 -0.135 0.000 0.818 499 A HN 0.656 nan 8.150 nan 0.000 0.445 500 S N -1.068 114.466 115.700 -0.278 0.000 2.368 500 S HA -0.305 4.165 4.470 -0.000 0.000 0.226 500 S C 1.947 176.482 174.600 -0.107 0.000 1.044 500 S CA 1.638 59.705 58.200 -0.222 0.000 1.062 500 S CB -1.144 61.994 63.200 -0.104 0.000 0.931 500 S HN 0.766 nan 8.310 nan 0.000 0.440 501 W N 1.142 122.276 121.300 -0.277 0.000 2.333 501 W HA -0.254 4.406 4.660 -0.000 0.000 0.316 501 W C 2.007 178.405 176.519 -0.202 0.000 1.215 501 W CA 1.580 58.768 57.345 -0.262 0.000 1.278 501 W CB -0.521 28.648 29.460 -0.485 0.000 1.154 501 W HN 0.445 nan 8.180 nan 0.000 0.486 502 Y N 0.345 120.581 120.300 -0.107 0.000 2.293 502 Y HA -0.209 4.340 4.550 -0.000 0.000 0.291 502 Y C 2.626 178.384 175.900 -0.238 0.000 1.137 502 Y CA 1.348 59.361 58.100 -0.145 0.000 1.202 502 Y CB -0.697 37.858 38.460 0.158 0.000 0.990 502 Y HN -0.135 nan 8.280 nan 0.000 0.537 503 I N -0.599 119.669 120.570 -0.504 0.000 2.286 503 I HA -0.350 3.820 4.170 -0.000 0.000 0.248 503 I C 2.486 178.499 176.117 -0.173 0.000 1.115 503 I CA 1.649 62.567 61.300 -0.635 0.000 1.392 503 I CB -0.304 37.256 38.000 -0.734 0.000 1.065 503 I HN 0.322 nan 8.210 nan 0.000 0.418 504 H N 1.386 120.252 119.070 -0.340 0.000 2.293 504 H HA -0.220 4.336 4.556 -0.000 0.000 0.300 504 H C 2.223 177.398 175.328 -0.255 0.000 1.082 504 H CA 2.107 57.989 56.048 -0.276 0.000 1.308 504 H CB -0.106 29.480 29.762 -0.293 0.000 1.375 504 H HN 0.087 nan 8.280 nan 0.000 0.495 505 K N -1.004 119.064 120.400 -0.554 0.000 2.044 505 K HA -0.267 4.052 4.320 -0.000 0.000 0.210 505 K C 2.239 178.743 176.600 -0.160 0.000 1.049 505 K CA 1.848 57.852 56.287 -0.472 0.000 0.927 505 K CB -0.526 31.786 32.500 -0.313 0.000 0.713 505 K HN 0.388 nan 8.250 nan 0.000 0.443 506 Y N 1.353 121.622 120.300 -0.051 0.000 2.070 506 Y HA -0.229 4.321 4.550 -0.000 0.000 0.279 506 Y C 1.902 177.839 175.900 0.061 0.000 1.134 506 Y CA 1.968 60.115 58.100 0.079 0.000 1.113 506 Y CB -0.330 38.297 38.460 0.278 0.000 0.981 506 Y HN 0.030 nan 8.280 nan 0.000 0.487 507 I N 0.272 120.912 120.570 0.116 0.000 2.185 507 I HA -0.407 3.763 4.170 -0.000 0.000 0.246 507 I C 2.459 178.574 176.117 -0.003 0.000 1.088 507 I CA 1.503 62.851 61.300 0.081 0.000 1.347 507 I CB -0.578 37.558 38.000 0.227 0.000 1.041 507 I HN 0.416 nan 8.210 nan 0.000 0.415 508 Q N 0.543 120.261 119.800 -0.137 0.000 2.061 508 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 508 Q C 2.479 178.420 176.000 -0.098 0.000 0.984 508 Q CA 1.994 57.691 55.803 -0.177 0.000 0.846 508 Q CB -0.616 27.909 28.738 -0.355 0.000 0.902 508 Q HN 0.594 nan 8.270 nan 0.000 0.421 509 A N 1.409 124.130 122.820 -0.164 0.000 1.892 509 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 509 A C 2.025 179.508 177.584 -0.168 0.000 1.188 509 A CA 1.676 53.622 52.037 -0.152 0.000 0.631 509 A CB -0.575 18.324 19.000 -0.170 0.000 0.822 509 A HN 0.318 nan 8.150 nan 0.000 0.447 510 Q N -1.629 118.005 119.800 -0.276 0.000 2.308 510 Q HA -0.183 4.157 4.340 -0.000 0.000 0.209 510 Q C 0.658 176.484 176.000 -0.290 0.000 0.985 510 Q CA 1.354 56.975 55.803 -0.304 0.000 0.881 510 Q CB -0.348 28.173 28.738 -0.363 0.000 0.917 510 Q HN 0.891 nan 8.270 nan 0.000 0.443 511 Y N -0.654 119.560 120.300 -0.142 0.000 2.571 511 Y HA 0.302 4.852 4.550 -0.000 0.000 0.275 511 Y C 1.250 177.104 175.900 -0.077 0.000 1.179 511 Y CA 0.137 58.181 58.100 -0.093 0.000 1.242 511 Y CB 0.503 38.911 38.460 -0.086 0.000 1.126 511 Y HN 0.187 nan 8.280 nan 0.000 0.524 512 G N 0.634 109.433 108.800 -0.002 0.000 2.221 512 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.265 512 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.265 512 G C 0.024 174.929 174.900 0.008 0.000 1.041 512 G CA 0.252 45.347 45.100 -0.009 0.000 0.807 512 G HN 0.649 nan 8.290 nan 0.000 0.502 513 A N -0.535 122.287 122.820 0.003 0.000 2.365 513 A HA 0.954 5.273 4.320 -0.000 0.000 0.318 513 A C 0.284 177.845 177.584 -0.039 0.000 1.091 513 A CA 0.508 52.542 52.037 -0.006 0.000 0.763 513 A CB 1.550 20.548 19.000 -0.003 0.000 1.248 513 A HN 1.798 nan 8.150 nan 0.000 0.442 514 S N 0.313 116.002 115.700 -0.019 0.000 2.681 514 S HA 0.827 5.296 4.470 -0.000 0.000 0.299 514 S C 0.018 174.609 174.600 -0.015 0.000 1.113 514 S CA -0.076 58.110 58.200 -0.024 0.000 1.013 514 S CB 1.224 64.431 63.200 0.010 0.000 1.076 514 S HN 1.942 nan 8.310 nan 0.000 0.534 515 V N -1.093 118.812 119.914 -0.014 0.000 2.960 515 V HA 0.820 4.940 4.120 -0.000 0.000 0.315 515 V C 0.274 176.477 176.094 0.182 0.000 1.087 515 V CA -0.817 61.520 62.300 0.062 0.000 0.982 515 V CB 1.009 32.768 31.823 -0.105 0.000 1.039 515 V HN 1.248 nan 8.190 nan 0.000 0.437 516 S N 1.765 117.637 115.700 0.286 0.000 2.549 516 S HA 0.261 4.731 4.470 -0.000 0.000 0.278 516 S C 1.315 176.078 174.600 0.272 0.000 1.344 516 S CA 0.221 58.572 58.200 0.251 0.000 1.025 516 S CB 0.527 63.874 63.200 0.244 0.000 0.851 516 S HN 1.935 nan 8.310 nan 0.000 0.530 517 A N 1.570 124.499 122.820 0.182 0.000 1.929 517 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 517 A C 1.163 178.849 177.584 0.169 0.000 1.176 517 A CA 1.025 53.163 52.037 0.169 0.000 0.628 517 A CB -0.319 18.748 19.000 0.112 0.000 0.816 517 A HN 0.824 nan 8.150 nan 0.000 0.444 518 K N 0.959 121.422 120.400 0.105 0.000 2.211 518 K HA 0.358 4.678 4.320 -0.000 0.000 0.275 518 K C -2.872 173.649 176.600 -0.132 0.000 1.024 518 K CA -2.435 53.855 56.287 0.004 0.000 0.887 518 K CB 0.775 33.266 32.500 -0.015 0.000 1.084 518 K HN -0.044 nan 8.250 nan 0.000 0.463 519 P HA -0.089 nan 4.420 nan 0.000 0.258 519 P C -1.221 175.555 177.300 -0.873 0.000 1.172 519 P CA 0.649 63.062 63.100 -1.144 0.000 0.762 519 P CB 0.300 31.409 31.700 -0.986 0.000 0.764 520 E N 3.093 122.655 120.200 -1.062 0.000 3.588 520 E HA 0.179 4.529 4.350 -0.000 0.000 0.213 520 E C -0.299 176.154 176.600 -0.246 0.000 1.168 520 E CA -0.340 55.816 56.400 -0.406 0.000 1.254 520 E CB 0.240 29.881 29.700 -0.098 0.000 1.302 520 E HN 0.403 nan 8.360 nan 0.000 0.429 521 L N 2.337 123.397 121.223 -0.272 0.000 2.410 521 L HA 0.230 4.570 4.340 -0.000 0.000 0.273 521 L C -1.888 175.050 176.870 0.114 0.000 1.152 521 L CA -1.711 53.136 54.840 0.013 0.000 0.855 521 L CB -0.066 41.998 42.059 0.009 0.000 1.129 521 L HN 0.022 nan 8.230 nan 0.000 0.463 522 P HA 0.110 nan 4.420 nan 0.000 0.269 522 P C -0.277 177.170 177.300 0.244 0.000 1.217 522 P CA -0.196 63.023 63.100 0.199 0.000 0.783 522 P CB 0.589 32.382 31.700 0.156 0.000 0.898 523 L N 0.811 122.221 121.223 0.312 0.000 2.488 523 L HA 0.387 4.727 4.340 -0.000 0.000 0.249 523 L C 0.586 177.563 176.870 0.179 0.000 1.151 523 L CA -0.767 54.166 54.840 0.155 0.000 0.806 523 L CB 0.086 42.086 42.059 -0.098 0.000 1.261 523 L HN 0.293 nan 8.230 nan 0.000 0.484 524 F N 0.251 120.108 119.950 -0.155 0.000 2.410 524 F HA 0.391 4.918 4.527 -0.000 0.000 0.348 524 F C -0.882 174.775 175.800 -0.239 0.000 1.106 524 F CA -0.247 57.694 58.000 -0.098 0.000 1.163 524 F CB 0.379 39.315 39.000 -0.107 0.000 1.129 524 F HN 0.039 nan 8.300 nan 0.000 0.516 525 Y N 2.506 122.409 120.300 -0.661 0.000 2.512 525 Y HA 0.556 5.106 4.550 -0.000 0.000 0.348 525 Y C 0.072 175.669 175.900 -0.505 0.000 0.990 525 Y CA -0.887 56.968 58.100 -0.409 0.000 1.033 525 Y CB 2.209 40.540 38.460 -0.215 0.000 1.259 525 Y HN 0.674 nan 8.280 nan 0.000 0.461 526 T N -1.710 112.811 114.554 -0.055 0.000 2.883 526 T HA 0.402 4.752 4.350 -0.000 0.000 0.296 526 T C -2.620 172.046 174.700 -0.056 0.000 1.117 526 T CA -2.574 59.491 62.100 -0.058 0.000 1.006 526 T CB 2.174 71.086 68.868 0.073 0.000 1.191 526 T HN 0.183 nan 8.240 nan 0.000 0.508 527 P HA -0.112 nan 4.420 nan 0.000 0.218 527 P C 1.669 178.869 177.300 -0.167 0.000 1.146 527 P CA 0.652 63.703 63.100 -0.081 0.000 0.820 527 P CB -0.176 31.520 31.700 -0.008 0.000 0.778 528 V N 0.244 119.894 119.914 -0.440 0.000 2.392 528 V HA -0.238 3.881 4.120 -0.000 0.000 0.249 528 V C 1.792 177.799 176.094 -0.145 0.000 1.059 528 V CA 1.988 63.980 62.300 -0.512 0.000 1.051 528 V CB -1.182 30.053 31.823 -0.980 0.000 0.658 528 V HN 0.179 nan 8.190 nan 0.000 0.455 529 D N -0.054 120.333 120.400 -0.022 0.000 2.350 529 D HA -0.048 4.591 4.640 -0.000 0.000 0.216 529 D C 1.919 178.270 176.300 0.084 0.000 0.968 529 D CA 0.880 54.935 54.000 0.092 0.000 0.894 529 D CB 0.120 41.031 40.800 0.184 0.000 0.909 529 D HN 0.402 nan 8.370 nan 0.000 0.520 530 L N 0.315 121.572 121.223 0.055 0.000 2.375 530 L HA 0.039 4.379 4.340 -0.000 0.000 0.215 530 L C 0.771 177.681 176.870 0.066 0.000 1.108 530 L CA -0.017 54.858 54.840 0.059 0.000 0.830 530 L CB 0.143 42.231 42.059 0.048 0.000 0.959 530 L HN -0.216 nan 8.230 nan 0.000 0.457 531 V N 1.505 121.466 119.914 0.079 0.000 2.752 531 V HA -0.181 3.939 4.120 -0.000 0.000 0.306 531 V C 0.351 176.489 176.094 0.074 0.000 1.099 531 V CA 0.556 62.909 62.300 0.088 0.000 1.240 531 V CB 0.225 32.111 31.823 0.106 0.000 0.887 531 V HN 0.204 nan 8.190 nan 0.000 0.499 532 D N 5.011 125.449 120.400 0.064 0.000 2.274 532 D HA 0.254 4.894 4.640 -0.000 0.000 0.239 532 D C 0.434 176.772 176.300 0.063 0.000 1.104 532 D CA -0.468 53.568 54.000 0.060 0.000 0.840 532 D CB 1.222 42.050 40.800 0.047 0.000 1.100 532 D HN 0.578 nan 8.370 nan 0.000 0.477 533 I N 1.300 121.916 120.570 0.077 0.000 3.736 533 I HA 0.221 4.391 4.170 -0.000 0.000 0.338 533 I C 0.281 176.445 176.117 0.078 0.000 1.558 533 I CA -0.721 60.628 61.300 0.082 0.000 1.147 533 I CB 0.139 38.213 38.000 0.123 0.000 1.275 533 I HN 0.090 nan 8.210 nan 0.000 0.454 534 S N 0.860 116.603 115.700 0.071 0.000 2.652 534 S HA 0.737 5.207 4.470 -0.000 0.000 0.270 534 S C -0.401 174.236 174.600 0.061 0.000 1.243 534 S CA -0.462 57.788 58.200 0.083 0.000 0.999 534 S CB 2.514 65.761 63.200 0.078 0.000 0.973 534 S HN 0.299 nan 8.310 nan 0.000 0.544 535 V N 0.678 120.644 119.914 0.086 0.000 3.077 535 V HA 0.488 4.608 4.120 -0.000 0.000 0.299 535 V C -1.718 174.448 176.094 0.120 0.000 1.276 535 V CA -0.640 61.690 62.300 0.049 0.000 0.993 535 V CB 2.191 33.987 31.823 -0.044 0.000 1.076 535 V HN 1.097 nan 8.190 nan 0.000 0.434 536 E N 5.569 125.815 120.200 0.077 0.000 2.166 536 E HA 0.589 4.939 4.350 -0.000 0.000 0.275 536 E C -0.821 175.819 176.600 0.068 0.000 0.941 536 E CA -0.539 55.928 56.400 0.110 0.000 0.784 536 E CB 2.139 31.878 29.700 0.065 0.000 1.115 536 E HN 0.642 nan 8.360 nan 0.000 0.399 537 M N 1.956 121.633 119.600 0.129 0.000 2.238 537 M HA 0.387 4.867 4.480 -0.000 0.000 0.278 537 M C -1.019 175.357 176.300 0.127 0.000 1.040 537 M CA -0.097 55.229 55.300 0.042 0.000 0.969 537 M CB 1.533 34.048 32.600 -0.141 0.000 1.694 537 M HN 0.728 nan 8.290 nan 0.000 0.472 538 A N 3.034 125.907 122.820 0.089 0.000 2.872 538 A HA -0.035 4.285 4.320 -0.000 0.000 0.273 538 A C 1.164 178.812 177.584 0.106 0.000 1.442 538 A CA 1.596 53.707 52.037 0.122 0.000 0.801 538 A CB -2.609 16.551 19.000 0.266 0.000 1.031 538 A HN 2.471 nan 8.150 nan 0.000 0.582 539 G N -3.018 105.830 108.800 0.081 0.000 2.179 539 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 539 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 539 G C 0.123 175.055 174.900 0.052 0.000 0.977 539 G CA 0.575 45.710 45.100 0.057 0.000 0.641 539 G HN 1.476 nan 8.290 nan 0.000 0.533 540 L N 0.278 121.556 121.223 0.092 0.000 2.307 540 L HA 0.507 4.846 4.340 -0.000 0.000 0.282 540 L C 0.484 177.358 176.870 0.006 0.000 1.051 540 L CA -0.653 54.191 54.840 0.005 0.000 0.804 540 L CB 1.372 43.444 42.059 0.022 0.000 1.197 540 L HN -0.020 nan 8.230 nan 0.000 0.431 541 K N 3.552 123.874 120.400 -0.130 0.000 2.292 541 K HA 0.414 4.734 4.320 -0.000 0.000 0.270 541 K C -1.279 175.225 176.600 -0.161 0.000 1.062 541 K CA -0.344 55.913 56.287 -0.049 0.000 0.916 541 K CB 0.875 33.355 32.500 -0.034 0.000 1.166 541 K HN 0.209 nan 8.250 nan 0.000 0.458 542 F N 3.365 123.299 119.950 -0.025 0.000 2.410 542 F HA 0.199 4.726 4.527 -0.000 0.000 0.349 542 F C 1.735 177.550 175.800 0.025 0.000 1.117 542 F CA -1.006 56.993 58.000 -0.002 0.000 1.104 542 F CB 0.606 39.586 39.000 -0.034 0.000 1.122 542 F HN 0.459 nan 8.300 nan 0.000 0.483 543 I N 0.224 120.895 120.570 0.169 0.000 2.614 543 I HA -0.048 4.122 4.170 -0.000 0.000 0.258 543 I C -0.229 175.986 176.117 0.163 0.000 1.189 543 I CA 0.651 62.027 61.300 0.128 0.000 1.462 543 I CB -0.443 37.608 38.000 0.084 0.000 1.092 543 I HN 0.661 nan 8.210 nan 0.000 0.442 544 N N -1.006 117.835 118.700 0.235 0.000 2.636 544 N HA 0.298 5.038 4.740 -0.000 0.000 0.261 544 N C -2.477 173.180 175.510 0.245 0.000 1.195 544 N CA -1.531 51.655 53.050 0.227 0.000 0.902 544 N CB 0.889 39.529 38.487 0.255 0.000 1.627 544 N HN -0.302 nan 8.380 nan 0.000 0.491 545 P HA -0.016 nan 4.420 nan 0.000 0.228 545 P C -0.597 176.627 177.300 -0.128 0.000 1.151 545 P CA 0.720 63.703 63.100 -0.195 0.000 0.770 545 P CB -0.057 31.374 31.700 -0.447 0.000 0.786 546 F N 0.887 120.969 119.950 0.220 0.000 2.396 546 F HA 0.588 5.115 4.527 -0.000 0.000 0.343 546 F C 1.460 177.386 175.800 0.211 0.000 1.104 546 F CA 0.001 58.120 58.000 0.199 0.000 1.161 546 F CB 1.048 40.050 39.000 0.004 0.000 1.146 546 F HN -0.126 nan 8.300 nan 0.000 0.522 547 G N 2.330 111.165 108.800 0.057 0.000 2.704 547 G HA2 0.595 4.555 3.960 -0.000 0.000 0.293 547 G HA3 0.595 4.555 3.960 -0.000 0.000 0.293 547 G C -1.784 172.869 174.900 -0.412 0.000 1.421 547 G CA -1.016 43.585 45.100 -0.832 0.000 0.870 547 G HN 0.542 nan 8.290 nan 0.000 0.492 548 L N 1.270 122.155 121.223 -0.563 0.000 2.319 548 L HA 0.546 4.886 4.340 -0.000 0.000 0.280 548 L C 0.996 177.699 176.870 -0.278 0.000 1.099 548 L CA -0.555 53.977 54.840 -0.513 0.000 0.828 548 L CB 1.318 42.996 42.059 -0.635 0.000 1.150 548 L HN 0.653 nan 8.230 nan 0.000 0.442 549 A N 2.606 125.330 122.820 -0.161 0.000 2.316 549 A HA 0.298 4.618 4.320 -0.000 0.000 0.284 549 A C 0.401 177.943 177.584 -0.069 0.000 1.115 549 A CA -0.388 51.609 52.037 -0.066 0.000 0.812 549 A CB 0.953 19.931 19.000 -0.035 0.000 1.064 549 A HN 0.642 nan 8.150 nan 0.000 0.489 550 S N 0.784 116.459 115.700 -0.040 0.000 2.752 550 S HA 0.412 4.882 4.470 -0.000 0.000 0.329 550 S C 0.367 174.935 174.600 -0.053 0.000 1.204 550 S CA 0.703 58.867 58.200 -0.060 0.000 1.252 550 S CB -1.275 61.890 63.200 -0.058 0.000 1.053 550 S HN 1.967 nan 8.310 nan 0.000 0.533 551 A N 4.416 127.204 122.820 -0.053 0.000 4.056 551 A HA 0.792 5.112 4.320 -0.000 0.000 0.277 551 A C 0.981 178.545 177.584 -0.033 0.000 1.037 551 A CA -0.036 51.974 52.037 -0.045 0.000 0.572 551 A CB -0.598 18.367 19.000 -0.059 0.000 1.685 551 A HN 1.229 nan 8.150 nan 0.000 0.799 552 A N -0.143 122.645 122.820 -0.052 0.000 1.873 552 A HA 0.044 4.363 4.320 -0.000 0.000 0.218 552 A C -0.348 177.218 177.584 -0.029 0.000 1.193 552 A CA 2.659 54.666 52.037 -0.049 0.000 0.629 552 A CB -2.050 16.887 19.000 -0.104 0.000 0.826 552 A HN 0.496 nan 8.150 nan 0.000 0.447 553 P HA -0.076 nan 4.420 nan 0.000 0.224 553 P C 0.493 177.831 177.300 0.064 0.000 1.142 553 P CA 1.749 64.858 63.100 0.015 0.000 0.778 553 P CB -0.162 31.528 31.700 -0.016 0.000 0.764 554 T N -6.757 107.811 114.554 0.023 0.000 3.483 554 T HA 0.234 4.584 4.350 -0.000 0.000 0.258 554 T C 0.952 175.775 174.700 0.204 0.000 1.013 554 T CA -0.339 61.799 62.100 0.063 0.000 1.078 554 T CB -0.711 68.142 68.868 -0.025 0.000 1.111 554 T HN -0.193 nan 8.240 nan 0.000 0.538 555 T N 2.044 116.707 114.554 0.182 0.000 2.904 555 T HA 0.101 4.451 4.350 -0.000 0.000 0.267 555 T C 0.659 175.551 174.700 0.321 0.000 1.059 555 T CA 0.771 63.008 62.100 0.229 0.000 1.137 555 T CB 0.039 68.968 68.868 0.103 0.000 0.879 555 T HN 0.515 nan 8.240 nan 0.000 0.467 556 S N 0.152 115.995 115.700 0.238 0.000 2.526 556 S HA 0.335 4.805 4.470 -0.000 0.000 0.293 556 S C 1.169 175.857 174.600 0.147 0.000 1.092 556 S CA -0.737 57.549 58.200 0.143 0.000 0.980 556 S CB 2.009 65.244 63.200 0.058 0.000 1.048 556 S HN 0.365 nan 8.310 nan 0.000 0.483 557 S N 1.632 117.341 115.700 0.015 0.000 2.419 557 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 557 S C 1.997 176.562 174.600 -0.059 0.000 1.016 557 S CA 1.315 59.495 58.200 -0.034 0.000 0.974 557 S CB -0.726 62.316 63.200 -0.264 0.000 0.786 557 S HN 0.820 nan 8.310 nan 0.000 0.492 558 S N 2.673 118.363 115.700 -0.018 0.000 2.383 558 S HA -0.126 4.344 4.470 -0.000 0.000 0.229 558 S C 1.936 176.523 174.600 -0.021 0.000 1.030 558 S CA 1.462 59.656 58.200 -0.009 0.000 1.002 558 S CB -0.807 62.406 63.200 0.023 0.000 0.829 558 S HN 0.551 nan 8.310 nan 0.000 0.467 559 M N 1.036 120.641 119.600 0.008 0.000 2.099 559 M HA 0.072 4.552 4.480 -0.000 0.000 0.262 559 M C 2.275 178.421 176.300 -0.256 0.000 1.067 559 M CA 1.494 56.825 55.300 0.051 0.000 1.124 559 M CB -0.719 31.985 32.600 0.172 0.000 1.353 559 M HN 0.274 nan 8.290 nan 0.000 0.410 560 I N -0.204 120.169 120.570 -0.329 0.000 2.264 560 I HA -0.316 3.854 4.170 -0.000 0.000 0.248 560 I C 2.720 178.293 176.117 -0.905 0.000 1.111 560 I CA 1.305 62.194 61.300 -0.686 0.000 1.382 560 I CB -0.589 37.059 38.000 -0.586 0.000 1.060 560 I HN 0.340 nan 8.210 nan 0.000 0.418 561 R N 1.478 121.646 120.500 -0.553 0.000 2.080 561 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 561 R C 2.504 178.587 176.300 -0.363 0.000 1.137 561 R CA 1.608 57.426 56.100 -0.471 0.000 0.943 561 R CB -0.170 30.082 30.300 -0.081 0.000 0.846 561 R HN 0.272 nan 8.270 nan 0.000 0.431 562 R N -0.007 120.363 120.500 -0.216 0.000 2.105 562 R HA -0.117 4.223 4.340 -0.000 0.000 0.239 562 R C 2.359 178.515 176.300 -0.240 0.000 1.135 562 R CA 1.322 57.368 56.100 -0.090 0.000 0.967 562 R CB -0.418 29.937 30.300 0.092 0.000 0.861 562 R HN 0.321 nan 8.270 nan 0.000 0.442 563 A N 1.094 123.494 122.820 -0.700 0.000 1.908 563 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 563 A C 1.848 179.373 177.584 -0.098 0.000 1.181 563 A CA 1.249 52.775 52.037 -0.852 0.000 0.627 563 A CB -0.511 17.668 19.000 -1.369 0.000 0.818 563 A HN 0.155 nan 8.150 nan 0.000 0.445 564 F N 0.140 119.878 119.950 -0.353 0.000 2.146 564 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 564 F C 2.381 178.116 175.800 -0.108 0.000 1.096 564 F CA 1.011 58.834 58.000 -0.294 0.000 1.275 564 F CB -1.120 37.381 39.000 -0.831 0.000 1.008 564 F HN 0.368 nan 8.300 nan 0.000 0.480 565 E N -0.098 120.162 120.200 0.100 0.000 2.110 565 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 565 E C 2.329 179.031 176.600 0.170 0.000 0.988 565 E CA 1.048 57.569 56.400 0.202 0.000 0.804 565 E CB -0.227 29.587 29.700 0.190 0.000 0.745 565 E HN 0.295 nan 8.360 nan 0.000 0.458 566 A N -0.021 122.898 122.820 0.166 0.000 2.015 566 A HA 0.046 4.366 4.320 -0.000 0.000 0.219 566 A C 1.844 179.504 177.584 0.125 0.000 1.163 566 A CA 1.433 53.575 52.037 0.174 0.000 0.646 566 A CB -0.152 19.015 19.000 0.278 0.000 0.806 566 A HN 0.392 nan 8.150 nan 0.000 0.448 567 G N -3.810 105.092 108.800 0.171 0.000 2.164 567 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.154 567 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.154 567 G C -0.287 174.676 174.900 0.105 0.000 1.014 567 G CA -0.350 44.812 45.100 0.103 0.000 0.683 567 G HN 0.305 nan 8.290 nan 0.000 0.500 568 W N 1.001 122.354 121.300 0.087 0.000 2.264 568 W HA 0.465 5.125 4.660 -0.000 0.000 0.331 568 W C 1.615 178.224 176.519 0.150 0.000 1.364 568 W CA 1.103 58.522 57.345 0.123 0.000 1.253 568 W CB 0.892 30.394 29.460 0.071 0.000 1.215 568 W HN 0.220 nan 8.180 nan 0.000 0.561 569 G N 2.825 111.868 108.800 0.405 0.000 2.440 569 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.218 569 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.218 569 G C -0.071 175.137 174.900 0.514 0.000 1.154 569 G CA 1.156 46.513 45.100 0.428 0.000 0.767 569 G HN 0.565 nan 8.290 nan 0.000 0.552 570 F N -2.850 117.358 119.950 0.430 0.000 2.817 570 F HA 0.769 5.295 4.527 -0.000 0.000 0.317 570 F C -0.719 175.376 175.800 0.491 0.000 1.168 570 F CA -1.180 57.069 58.000 0.415 0.000 0.911 570 F CB 1.041 40.320 39.000 0.465 0.000 1.337 570 F HN 0.302 nan 8.300 nan 0.000 0.464 571 A N 1.429 124.516 122.820 0.444 0.000 2.612 571 A HA 0.738 5.058 4.320 -0.000 0.000 0.293 571 A C -2.434 175.272 177.584 0.205 0.000 1.075 571 A CA -0.813 51.273 52.037 0.082 0.000 0.680 571 A CB 1.828 20.755 19.000 -0.123 0.000 1.279 571 A HN 0.807 nan 8.150 nan 0.000 0.411 572 L N 1.910 123.170 121.223 0.061 0.000 2.329 572 L HA 0.564 4.904 4.340 -0.000 0.000 0.279 572 L C 0.790 177.632 176.870 -0.047 0.000 1.014 572 L CA -0.173 54.709 54.840 0.070 0.000 0.814 572 L CB 1.623 43.715 42.059 0.056 0.000 1.257 572 L HN 1.043 nan 8.230 nan 0.000 0.424 573 T N -0.054 114.441 114.554 -0.099 0.000 2.913 573 T HA 0.239 4.589 4.350 -0.000 0.000 0.297 573 T C 0.182 174.580 174.700 -0.503 0.000 1.029 573 T CA -0.741 61.124 62.100 -0.392 0.000 1.104 573 T CB 1.419 69.985 68.868 -0.504 0.000 0.964 573 T HN 0.380 nan 8.240 nan 0.000 0.532 574 K N 1.777 121.792 120.400 -0.641 0.000 2.494 574 K HA 0.089 4.409 4.320 -0.000 0.000 0.273 574 K C 0.064 176.413 176.600 -0.419 0.000 0.970 574 K CA 0.274 56.364 56.287 -0.328 0.000 0.963 574 K CB -0.308 32.159 32.500 -0.056 0.000 0.913 574 K HN 0.749 nan 8.250 nan 0.000 0.502 575 T N 5.156 119.578 114.554 -0.220 0.000 2.867 575 T HA 0.246 4.596 4.350 -0.000 0.000 0.297 575 T C -0.222 174.382 174.700 -0.162 0.000 0.989 575 T CA 0.219 62.180 62.100 -0.231 0.000 1.159 575 T CB -0.540 68.253 68.868 -0.126 0.000 0.928 575 T HN 0.425 nan 8.240 nan 0.000 0.538 576 F N 0.501 120.322 119.950 -0.215 0.000 2.611 576 F HA 0.878 5.405 4.527 -0.000 0.000 0.324 576 F C 0.016 175.784 175.800 -0.053 0.000 1.061 576 F CA -1.355 56.590 58.000 -0.093 0.000 0.954 576 F CB 1.321 40.293 39.000 -0.048 0.000 1.301 576 F HN 0.556 nan 8.300 nan 0.000 0.482 577 S N 0.910 116.760 115.700 0.249 0.000 2.720 577 S HA 0.718 5.188 4.470 -0.000 0.000 0.287 577 S C -0.986 173.709 174.600 0.157 0.000 1.168 577 S CA -1.161 57.088 58.200 0.082 0.000 0.832 577 S CB 1.111 64.292 63.200 -0.031 0.000 1.166 577 S HN 0.869 nan 8.310 nan 0.000 0.493 578 L N 1.411 122.658 121.223 0.040 0.000 2.467 578 L HA 0.225 4.565 4.340 -0.000 0.000 0.270 578 L C 1.020 177.913 176.870 0.038 0.000 1.205 578 L CA -0.275 54.589 54.840 0.040 0.000 0.828 578 L CB -0.054 41.992 42.059 -0.022 0.000 1.101 578 L HN 0.753 nan 8.230 nan 0.000 0.479 579 D N 0.529 120.951 120.400 0.038 0.000 2.172 579 D HA -0.234 4.406 4.640 -0.000 0.000 0.196 579 D C 1.887 178.195 176.300 0.014 0.000 0.999 579 D CA 1.882 55.899 54.000 0.029 0.000 0.856 579 D CB 0.004 40.816 40.800 0.019 0.000 0.934 579 D HN 0.578 nan 8.370 nan 0.000 0.453 580 K N -0.002 120.399 120.400 0.001 0.000 2.360 580 K HA -0.088 4.232 4.320 -0.000 0.000 0.201 580 K C 0.327 176.924 176.600 -0.006 0.000 1.046 580 K CA 1.183 57.467 56.287 -0.006 0.000 0.945 580 K CB 0.192 32.683 32.500 -0.015 0.000 0.750 580 K HN 0.056 nan 8.250 nan 0.000 0.464 581 D N 0.978 121.375 120.400 -0.005 0.000 2.388 581 D HA 0.084 4.724 4.640 -0.000 0.000 0.221 581 D C -0.117 176.190 176.300 0.012 0.000 1.133 581 D CA -0.366 53.631 54.000 -0.005 0.000 0.831 581 D CB -0.001 40.782 40.800 -0.027 0.000 0.962 581 D HN 0.140 nan 8.370 nan 0.000 0.502 582 I N 2.133 122.715 120.570 0.020 0.000 2.752 582 I HA -0.121 4.049 4.170 -0.000 0.000 0.289 582 I C 0.245 176.375 176.117 0.022 0.000 1.197 582 I CA 0.001 61.319 61.300 0.030 0.000 1.432 582 I CB 0.455 38.469 38.000 0.024 0.000 1.359 582 I HN -0.142 nan 8.210 nan 0.000 0.571 583 V N 4.114 124.045 119.914 0.028 0.000 3.096 583 V HA 0.805 4.925 4.120 -0.000 0.000 0.319 583 V C -0.167 175.936 176.094 0.014 0.000 1.103 583 V CA -0.424 61.888 62.300 0.019 0.000 1.016 583 V CB 1.875 33.712 31.823 0.023 0.000 1.090 583 V HN 0.752 nan 8.190 nan 0.000 0.449 584 T N 2.434 116.993 114.554 0.007 0.000 3.011 584 T HA 0.426 4.776 4.350 -0.000 0.000 0.303 584 T C -0.576 174.123 174.700 -0.002 0.000 0.997 584 T CA -0.415 61.686 62.100 0.001 0.000 1.007 584 T CB 0.860 69.727 68.868 -0.002 0.000 1.017 584 T HN 0.818 nan 8.240 nan 0.000 0.443 585 N N 1.659 120.356 118.700 -0.004 0.000 2.467 585 N HA 0.499 5.239 4.740 -0.000 0.000 0.262 585 N C 0.329 175.830 175.510 -0.016 0.000 1.234 585 N CA -0.272 52.772 53.050 -0.010 0.000 0.952 585 N CB 1.353 39.834 38.487 -0.010 0.000 1.158 585 N HN 0.524 nan 8.380 nan 0.000 0.463 586 V N -1.754 118.146 119.914 -0.024 0.000 3.267 586 V HA 0.887 5.007 4.120 -0.000 0.000 0.317 586 V C 0.079 176.151 176.094 -0.037 0.000 1.131 586 V CA -0.792 61.491 62.300 -0.029 0.000 1.031 586 V CB 1.463 33.265 31.823 -0.035 0.000 1.159 586 V HN 0.780 nan 8.190 nan 0.000 0.454 587 S N 0.313 115.990 115.700 -0.038 0.000 2.535 587 S HA 0.664 5.134 4.470 -0.000 0.000 0.272 587 S C -2.944 171.629 174.600 -0.045 0.000 1.149 587 S CA -0.839 57.334 58.200 -0.045 0.000 0.888 587 S CB 1.617 64.804 63.200 -0.021 0.000 1.110 587 S HN 1.083 nan 8.310 nan 0.000 0.463 588 P HA 0.381 nan 4.420 nan 0.000 0.270 588 P C -0.134 177.049 177.300 -0.195 0.000 1.223 588 P CA -0.454 62.554 63.100 -0.153 0.000 0.785 588 P CB 0.616 32.140 31.700 -0.293 0.000 0.923 589 R N 0.202 120.605 120.500 -0.161 0.000 2.591 589 R HA 0.398 4.738 4.340 -0.000 0.000 0.288 589 R C 0.181 176.409 176.300 -0.120 0.000 0.947 589 R CA -0.168 55.849 56.100 -0.138 0.000 1.085 589 R CB 0.151 30.403 30.300 -0.081 0.000 1.618 589 R HN 0.271 nan 8.270 nan 0.000 0.524 590 I N 2.926 123.434 120.570 -0.103 0.000 2.439 590 I HA 0.417 4.587 4.170 -0.000 0.000 0.285 590 I C -0.569 175.551 176.117 0.006 0.000 1.021 590 I CA -1.440 59.838 61.300 -0.036 0.000 1.091 590 I CB 2.229 40.216 38.000 -0.021 0.000 1.242 590 I HN -0.065 nan 8.210 nan 0.000 0.439 591 V N 3.012 122.951 119.914 0.041 0.000 3.001 591 V HA 0.677 4.797 4.120 -0.000 0.000 0.314 591 V C -0.127 176.090 176.094 0.205 0.000 1.099 591 V CA -1.091 61.273 62.300 0.107 0.000 0.989 591 V CB 1.830 33.593 31.823 -0.101 0.000 1.040 591 V HN 0.892 nan 8.190 nan 0.000 0.434 592 R N 1.926 122.523 120.500 0.161 0.000 2.679 592 R HA 0.633 4.973 4.340 -0.000 0.000 0.269 592 R C 0.330 176.547 176.300 -0.138 0.000 1.076 592 R CA 0.191 56.224 56.100 -0.113 0.000 1.160 592 R CB 0.353 30.578 30.300 -0.126 0.000 1.054 592 R HN 1.164 nan 8.270 nan 0.000 0.507 593 G N -0.092 108.528 108.800 -0.301 0.000 2.372 593 G HA2 0.234 4.194 3.960 -0.000 0.000 0.283 593 G HA3 0.234 4.194 3.960 -0.000 0.000 0.283 593 G C 0.516 175.319 174.900 -0.162 0.000 1.177 593 G CA -0.575 44.417 45.100 -0.180 0.000 0.842 593 G HN 0.755 nan 8.290 nan 0.000 0.503 594 T N -1.676 112.823 114.554 -0.091 0.000 3.163 594 T HA 0.016 4.366 4.350 -0.000 0.000 0.252 594 T C 1.893 176.548 174.700 -0.074 0.000 1.056 594 T CA 0.613 62.660 62.100 -0.088 0.000 0.947 594 T CB -0.086 68.762 68.868 -0.034 0.000 1.016 594 T HN 0.486 nan 8.240 nan 0.000 0.554 595 T N 0.155 114.663 114.554 -0.075 0.000 3.072 595 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 595 T C 1.646 176.310 174.700 -0.060 0.000 1.127 595 T CA 0.802 62.869 62.100 -0.055 0.000 1.107 595 T CB -0.440 68.400 68.868 -0.046 0.000 0.910 595 T HN 0.576 nan 8.240 nan 0.000 0.513 596 S N -0.390 115.260 115.700 -0.084 0.000 2.846 596 S HA 0.615 5.085 4.470 -0.000 0.000 0.249 596 S C 0.969 175.521 174.600 -0.080 0.000 1.028 596 S CA -0.190 57.965 58.200 -0.075 0.000 1.043 596 S CB 0.068 63.220 63.200 -0.081 0.000 0.990 596 S HN 1.127 nan 8.310 nan 0.000 0.564 597 G N 2.790 111.539 108.800 -0.085 0.000 2.698 597 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.225 597 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.225 597 G C -2.856 171.971 174.900 -0.121 0.000 1.345 597 G CA -0.496 44.559 45.100 -0.075 0.000 0.871 597 G HN 0.280 nan 8.290 nan 0.000 0.540 598 P HA 0.310 nan 4.420 nan 0.000 0.225 598 P C -0.289 176.997 177.300 -0.023 0.000 1.768 598 P CA 0.249 63.326 63.100 -0.039 0.000 0.943 598 P CB -0.169 31.614 31.700 0.139 0.000 1.936 599 M N 2.348 121.820 119.600 -0.213 0.000 2.044 599 M HA 0.342 4.822 4.480 -0.000 0.000 0.333 599 M C -1.016 175.153 176.300 -0.217 0.000 1.004 599 M CA -0.730 54.513 55.300 -0.096 0.000 0.954 599 M CB 0.730 33.283 32.600 -0.079 0.000 1.468 599 M HN -0.041 nan 8.290 nan 0.000 0.414 600 Y N 2.587 122.869 120.300 -0.029 0.000 2.419 600 Y HA 0.876 5.426 4.550 -0.000 0.000 0.328 600 Y C 1.020 176.911 175.900 -0.015 0.000 1.162 600 Y CA 0.133 58.219 58.100 -0.024 0.000 1.174 600 Y CB 1.503 39.952 38.460 -0.020 0.000 1.228 600 Y HN 0.854 nan 8.280 nan 0.000 0.473 601 G N 1.090 109.974 108.800 0.141 0.000 2.594 601 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.217 601 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.217 601 G C -2.803 172.131 174.900 0.057 0.000 1.163 601 G CA -0.796 44.357 45.100 0.089 0.000 1.074 601 G HN 0.598 nan 8.290 nan 0.000 0.589 602 P HA 0.447 nan 4.420 nan 0.000 0.276 602 P C 0.644 177.962 177.300 0.030 0.000 1.244 602 P CA 1.520 64.645 63.100 0.042 0.000 0.801 602 P CB 0.723 32.441 31.700 0.030 0.000 1.006 603 G N 1.168 109.997 108.800 0.047 0.000 2.367 603 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.295 603 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.295 603 G C -0.011 174.879 174.900 -0.018 0.000 1.019 603 G CA -0.339 44.783 45.100 0.036 0.000 1.224 603 G HN 0.583 nan 8.290 nan 0.000 0.510 604 Q N 0.253 120.016 119.800 -0.062 0.000 2.304 604 Q HA 0.326 4.666 4.340 -0.000 0.000 0.260 604 Q C 1.780 177.669 176.000 -0.185 0.000 0.965 604 Q CA 0.501 56.165 55.803 -0.232 0.000 0.898 604 Q CB 1.215 29.607 28.738 -0.576 0.000 1.196 604 Q HN 0.749 nan 8.270 nan 0.000 0.402 605 S N 0.594 116.197 115.700 -0.161 0.000 2.547 605 S HA -0.018 4.452 4.470 -0.000 0.000 0.235 605 S C 0.638 175.190 174.600 -0.081 0.000 0.980 605 S CA 0.506 58.655 58.200 -0.086 0.000 0.941 605 S CB -0.061 63.096 63.200 -0.071 0.000 0.763 605 S HN 0.657 nan 8.310 nan 0.000 0.532 606 S N -1.200 114.380 115.700 -0.201 0.000 2.656 606 S HA 0.700 5.170 4.470 -0.000 0.000 0.265 606 S C -1.598 172.793 174.600 -0.348 0.000 1.110 606 S CA -1.194 56.938 58.200 -0.113 0.000 0.821 606 S CB 0.150 63.326 63.200 -0.041 0.000 1.099 606 S HN 0.187 nan 8.310 nan 0.000 0.471 607 F N -0.065 119.890 119.950 0.009 0.000 2.645 607 F HA 0.803 5.330 4.527 -0.000 0.000 0.310 607 F C -0.800 175.001 175.800 0.002 0.000 1.102 607 F CA -0.844 57.160 58.000 0.007 0.000 0.952 607 F CB 2.051 41.054 39.000 0.006 0.000 1.326 607 F HN 0.808 nan 8.300 nan 0.000 0.456 608 L N 2.596 123.935 121.223 0.193 0.000 2.401 608 L HA 0.695 5.034 4.340 -0.000 0.000 0.266 608 L C -1.742 175.164 176.870 0.060 0.000 0.991 608 L CA -0.435 54.461 54.840 0.095 0.000 0.818 608 L CB 2.082 44.171 42.059 0.050 0.000 1.321 608 L HN 0.897 nan 8.230 nan 0.000 0.413 609 N N 3.315 122.034 118.700 0.030 0.000 2.308 609 N HA 0.418 5.158 4.740 -0.000 0.000 0.283 609 N C -0.682 174.820 175.510 -0.013 0.000 1.105 609 N CA -0.901 52.146 53.050 -0.007 0.000 0.840 609 N CB 1.595 40.078 38.487 -0.007 0.000 1.633 609 N HN 0.602 nan 8.380 nan 0.000 0.476 610 I N -2.561 117.986 120.570 -0.038 0.000 3.637 610 I HA 0.413 4.582 4.170 -0.000 0.000 0.342 610 I C -0.085 176.015 176.117 -0.029 0.000 1.545 610 I CA -0.570 60.712 61.300 -0.031 0.000 1.126 610 I CB 0.013 37.982 38.000 -0.052 0.000 1.375 610 I HN 0.575 nan 8.210 nan 0.000 0.467 611 E N 1.989 122.175 120.200 -0.022 0.000 2.313 611 E HA 0.525 4.875 4.350 -0.000 0.000 0.272 611 E C -0.604 175.994 176.600 -0.004 0.000 1.038 611 E CA -0.576 55.814 56.400 -0.017 0.000 0.863 611 E CB 1.388 31.076 29.700 -0.019 0.000 1.060 611 E HN 0.472 nan 8.360 nan 0.000 0.402 612 L N 3.680 124.904 121.223 0.002 0.000 2.635 612 L HA 0.433 4.773 4.340 -0.000 0.000 0.250 612 L C 1.161 178.041 176.870 0.017 0.000 1.117 612 L CA -1.087 53.759 54.840 0.010 0.000 0.834 612 L CB 0.044 42.109 42.059 0.012 0.000 1.544 612 L HN 0.605 nan 8.230 nan 0.000 0.511 613 I N -2.108 118.475 120.570 0.021 0.000 3.176 613 I HA 0.042 4.212 4.170 -0.000 0.000 0.204 613 I C 0.852 177.004 176.117 0.059 0.000 1.334 613 I CA -0.284 61.032 61.300 0.026 0.000 0.825 613 I CB -0.019 37.993 38.000 0.019 0.000 1.694 613 I HN 0.481 nan 8.210 nan 0.000 0.970 614 S N -0.270 115.490 115.700 0.100 0.000 2.562 614 S HA 0.070 4.540 4.470 -0.000 0.000 0.281 614 S C 0.623 175.325 174.600 0.170 0.000 1.333 614 S CA -0.262 58.056 58.200 0.196 0.000 1.052 614 S CB 0.393 63.823 63.200 0.383 0.000 0.884 614 S HN 0.649 nan 8.310 nan 0.000 0.506 615 E N 1.937 122.215 120.200 0.129 0.000 2.474 615 E HA 0.096 4.446 4.350 -0.000 0.000 0.195 615 E C -0.183 176.441 176.600 0.040 0.000 1.039 615 E CA 0.176 56.614 56.400 0.064 0.000 0.881 615 E CB 0.359 30.069 29.700 0.016 0.000 0.970 615 E HN 0.501 nan 8.360 nan 0.000 0.486 616 K N 1.883 122.338 120.400 0.091 0.000 2.172 616 K HA 0.125 4.445 4.320 -0.000 0.000 0.276 616 K C 0.191 176.869 176.600 0.131 0.000 1.013 616 K CA -0.290 55.958 56.287 -0.065 0.000 0.913 616 K CB 1.242 33.487 32.500 -0.425 0.000 1.055 616 K HN -0.011 nan 8.250 nan 0.000 0.461 617 T N -0.752 113.819 114.554 0.029 0.000 2.903 617 T HA 0.063 4.413 4.350 -0.000 0.000 0.314 617 T C 1.376 176.154 174.700 0.130 0.000 1.078 617 T CA -0.213 61.945 62.100 0.097 0.000 1.114 617 T CB 1.225 70.113 68.868 0.033 0.000 0.987 617 T HN 0.605 nan 8.240 nan 0.000 0.548 618 A N 2.136 125.018 122.820 0.103 0.000 2.024 618 A HA 0.153 4.473 4.320 -0.000 0.000 0.220 618 A C 2.610 180.116 177.584 -0.130 0.000 1.164 618 A CA 1.729 53.713 52.037 -0.089 0.000 0.643 618 A CB -1.415 17.654 19.000 0.116 0.000 0.806 618 A HN 1.252 nan 8.150 nan 0.000 0.451 619 A N -1.004 121.798 122.820 -0.030 0.000 1.858 619 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 619 A C 2.120 179.663 177.584 -0.069 0.000 1.190 619 A CA 1.633 53.648 52.037 -0.036 0.000 0.617 619 A CB -0.945 18.051 19.000 -0.008 0.000 0.827 619 A HN 0.782 nan 8.150 nan 0.000 0.443 620 Y N -0.991 119.182 120.300 -0.212 0.000 2.081 620 Y HA -0.305 4.245 4.550 -0.000 0.000 0.280 620 Y C 2.183 177.847 175.900 -0.393 0.000 1.163 620 Y CA 2.089 59.992 58.100 -0.327 0.000 1.135 620 Y CB -0.601 37.587 38.460 -0.453 0.000 0.970 620 Y HN 0.450 nan 8.280 nan 0.000 0.498 621 W N -0.612 120.518 121.300 -0.284 0.000 2.355 621 W HA -0.216 4.444 4.660 -0.000 0.000 0.309 621 W C 2.751 179.023 176.519 -0.413 0.000 1.206 621 W CA 1.513 58.576 57.345 -0.470 0.000 1.284 621 W CB -0.927 28.043 29.460 -0.817 0.000 1.145 621 W HN 0.091 nan 8.180 nan 0.000 0.502 622 C N -0.912 118.285 119.300 -0.171 0.000 2.422 622 C HA -0.195 4.265 4.460 -0.000 0.000 0.279 622 C C 2.564 177.515 174.990 -0.065 0.000 1.305 622 C CA 1.177 60.157 59.018 -0.064 0.000 1.757 622 C CB -1.355 26.361 27.740 -0.040 0.000 1.962 622 C HN 0.447 nan 8.230 nan 0.000 0.499 623 Q N 1.039 120.757 119.800 -0.138 0.000 2.049 623 Q HA -0.152 4.188 4.340 -0.000 0.000 0.198 623 Q C 2.298 178.200 176.000 -0.164 0.000 0.971 623 Q CA 1.806 57.528 55.803 -0.135 0.000 0.833 623 Q CB -0.115 28.525 28.738 -0.163 0.000 0.896 623 Q HN 0.613 nan 8.270 nan 0.000 0.434 624 S N 0.020 115.531 115.700 -0.315 0.000 2.387 624 S HA -0.162 4.308 4.470 -0.000 0.000 0.230 624 S C 1.965 176.524 174.600 -0.067 0.000 1.035 624 S CA 1.419 59.432 58.200 -0.311 0.000 1.014 624 S CB -0.325 62.499 63.200 -0.627 0.000 0.836 624 S HN 0.258 nan 8.310 nan 0.000 0.466 625 V N 1.634 121.557 119.914 0.016 0.000 2.261 625 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 625 V C 2.536 178.684 176.094 0.089 0.000 1.047 625 V CA 2.171 64.536 62.300 0.108 0.000 1.015 625 V CB -1.469 30.442 31.823 0.146 0.000 0.642 625 V HN 0.509 nan 8.190 nan 0.000 0.446 626 T N -0.174 114.408 114.554 0.046 0.000 2.684 626 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 626 T C 1.757 176.486 174.700 0.049 0.000 1.036 626 T CA 1.913 64.039 62.100 0.043 0.000 1.148 626 T CB -0.301 68.577 68.868 0.016 0.000 0.863 626 T HN 0.628 nan 8.240 nan 0.000 0.436 627 E N 0.886 121.104 120.200 0.029 0.000 2.023 627 E HA -0.096 4.254 4.350 -0.000 0.000 0.196 627 E C 2.336 179.008 176.600 0.121 0.000 1.003 627 E CA 1.044 57.468 56.400 0.040 0.000 0.809 627 E CB -0.421 29.277 29.700 -0.002 0.000 0.755 627 E HN 0.392 nan 8.360 nan 0.000 0.449 628 L N 1.000 122.326 121.223 0.172 0.000 1.990 628 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 628 L C 2.444 179.553 176.870 0.399 0.000 1.072 628 L CA 1.152 56.204 54.840 0.353 0.000 0.755 628 L CB -0.476 41.750 42.059 0.278 0.000 0.889 628 L HN 0.036 nan 8.230 nan 0.000 0.432 629 K N 0.006 120.559 120.400 0.254 0.000 2.360 629 K HA -0.073 4.247 4.320 -0.000 0.000 0.201 629 K C 2.002 178.676 176.600 0.122 0.000 1.046 629 K CA 1.203 57.606 56.287 0.193 0.000 0.945 629 K CB -0.358 32.222 32.500 0.135 0.000 0.750 629 K HN 0.335 nan 8.250 nan 0.000 0.464 630 A N 1.516 124.393 122.820 0.095 0.000 1.898 630 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 630 A C 1.572 179.137 177.584 -0.032 0.000 1.183 630 A CA 1.433 53.487 52.037 0.028 0.000 0.622 630 A CB -0.088 18.922 19.000 0.016 0.000 0.824 630 A HN 0.165 nan 8.150 nan 0.000 0.444 631 D N -1.463 118.897 120.400 -0.068 0.000 2.305 631 D HA 0.098 4.738 4.640 -0.000 0.000 0.206 631 D C -0.583 175.304 176.300 -0.689 0.000 0.974 631 D CA 0.669 54.434 54.000 -0.390 0.000 0.871 631 D CB 0.080 40.569 40.800 -0.517 0.000 0.947 631 D HN 0.440 nan 8.370 nan 0.000 0.516 632 F N 0.790 120.789 119.950 0.081 0.000 2.660 632 F HA 0.261 4.788 4.527 -0.000 0.000 0.352 632 F C -1.757 174.028 175.800 -0.025 0.000 1.257 632 F CA -1.781 56.242 58.000 0.039 0.000 1.200 632 F CB 1.738 40.806 39.000 0.113 0.000 1.473 632 F HN -0.224 nan 8.300 nan 0.000 0.561 633 P HA -0.078 nan 4.420 nan 0.000 0.226 633 P C 0.312 177.606 177.300 -0.010 0.000 1.153 633 P CA 1.226 64.343 63.100 0.028 0.000 0.777 633 P CB 0.499 32.202 31.700 0.005 0.000 0.794 634 D N -0.825 119.561 120.400 -0.022 0.000 2.379 634 D HA 0.047 4.687 4.640 -0.000 0.000 0.208 634 D C 0.074 176.291 176.300 -0.138 0.000 1.065 634 D CA 0.243 54.206 54.000 -0.062 0.000 0.848 634 D CB -0.398 40.384 40.800 -0.029 0.000 0.949 634 D HN 0.218 nan 8.370 nan 0.000 0.509 635 N N 1.083 119.644 118.700 -0.232 0.000 2.419 635 N HA 0.153 4.892 4.740 -0.000 0.000 0.264 635 N C -0.155 175.157 175.510 -0.329 0.000 1.031 635 N CA -0.348 52.395 53.050 -0.512 0.000 0.951 635 N CB 1.451 39.014 38.487 -1.540 0.000 1.101 635 N HN -0.103 nan 8.380 nan 0.000 0.488 636 I N 2.470 122.920 120.570 -0.201 0.000 2.533 636 I HA 0.089 4.259 4.170 -0.000 0.000 0.284 636 I C 0.024 176.267 176.117 0.210 0.000 1.109 636 I CA -0.180 61.061 61.300 -0.098 0.000 1.412 636 I CB 0.248 37.998 38.000 -0.417 0.000 1.396 636 I HN 0.204 nan 8.210 nan 0.000 0.543 637 V N 8.315 128.365 119.914 0.227 0.000 2.417 637 V HA 0.466 4.586 4.120 -0.000 0.000 0.291 637 V C 0.162 176.415 176.094 0.265 0.000 1.024 637 V CA -0.556 61.942 62.300 0.330 0.000 0.861 637 V CB 2.142 34.156 31.823 0.319 0.000 0.985 637 V HN 0.434 nan 8.190 nan 0.000 0.436 638 I N 3.981 124.728 120.570 0.294 0.000 2.406 638 I HA 0.669 4.839 4.170 -0.000 0.000 0.290 638 I C 0.354 176.591 176.117 0.199 0.000 0.999 638 I CA -0.573 60.886 61.300 0.265 0.000 1.124 638 I CB 1.910 40.111 38.000 0.335 0.000 1.289 638 I HN 0.665 nan 8.210 nan 0.000 0.441 639 A N 4.401 127.325 122.820 0.173 0.000 2.301 639 A HA 0.527 4.847 4.320 -0.000 0.000 0.298 639 A C -0.077 177.495 177.584 -0.021 0.000 1.185 639 A CA -0.302 51.809 52.037 0.123 0.000 0.830 639 A CB 0.958 20.104 19.000 0.244 0.000 1.112 639 A HN 0.607 nan 8.150 nan 0.000 0.508 640 S N 2.790 118.389 115.700 -0.168 0.000 2.420 640 S HA 0.594 5.064 4.470 -0.000 0.000 0.313 640 S C -0.171 174.129 174.600 -0.500 0.000 1.079 640 S CA -0.626 57.450 58.200 -0.207 0.000 1.104 640 S CB -0.588 62.524 63.200 -0.146 0.000 0.969 640 S HN 0.660 nan 8.310 nan 0.000 0.471 641 I N 2.517 122.857 120.570 -0.384 0.000 2.693 641 I HA 0.703 4.873 4.170 -0.000 0.000 0.303 641 I C -0.690 175.301 176.117 -0.209 0.000 1.025 641 I CA -1.093 59.899 61.300 -0.513 0.000 1.086 641 I CB 2.151 39.890 38.000 -0.436 0.000 1.268 641 I HN 0.594 nan 8.210 nan 0.000 0.440 642 M N 5.017 124.407 119.600 -0.350 0.000 2.322 642 M HA 0.591 5.071 4.480 -0.000 0.000 0.286 642 M C -2.184 173.747 176.300 -0.614 0.000 1.111 642 M CA -0.035 55.066 55.300 -0.331 0.000 0.941 642 M CB 1.924 34.474 32.600 -0.083 0.000 1.671 642 M HN 0.925 nan 8.290 nan 0.000 0.470 643 C N 1.198 119.859 119.300 -1.065 0.000 2.994 643 C HA 0.745 5.205 4.460 -0.000 0.000 0.304 643 C C 0.475 175.318 174.990 -0.245 0.000 1.273 643 C CA -0.556 57.946 59.018 -0.860 0.000 1.537 643 C CB 2.343 29.196 27.740 -1.480 0.000 2.001 643 C HN 1.008 nan 8.230 nan 0.000 0.471 644 S N -0.037 115.625 115.700 -0.063 0.000 2.634 644 S HA 0.121 4.591 4.470 -0.000 0.000 0.254 644 S C -0.454 174.407 174.600 0.435 0.000 1.299 644 S CA -0.272 58.031 58.200 0.171 0.000 0.974 644 S CB -0.060 63.198 63.200 0.096 0.000 1.001 644 S HN 0.681 nan 8.310 nan 0.000 0.584 645 Y N 3.074 123.552 120.300 0.297 0.000 2.517 645 Y HA 0.286 4.836 4.550 -0.000 0.000 0.341 645 Y C 0.105 176.259 175.900 0.423 0.000 1.247 645 Y CA -0.612 57.752 58.100 0.439 0.000 1.774 645 Y CB -1.103 37.490 38.460 0.223 0.000 1.641 645 Y HN 0.604 nan 8.280 nan 0.000 0.457 646 N N 4.051 122.971 118.700 0.366 0.000 2.549 646 N HA 0.093 4.833 4.740 -0.000 0.000 0.290 646 N C 0.476 175.819 175.510 -0.279 0.000 1.122 646 N CA -0.372 52.643 53.050 -0.059 0.000 0.885 646 N CB 1.262 39.724 38.487 -0.041 0.000 1.455 646 N HN 0.568 nan 8.380 nan 0.000 0.521 647 K N 2.842 122.546 120.400 -1.160 0.000 2.044 647 K HA -0.123 4.197 4.320 -0.000 0.000 0.210 647 K C 0.950 177.262 176.600 -0.481 0.000 1.049 647 K CA 1.451 56.887 56.287 -1.420 0.000 0.927 647 K CB 0.129 31.505 32.500 -1.874 0.000 0.713 647 K HN 0.481 nan 8.250 nan 0.000 0.443 648 N N 1.355 119.840 118.700 -0.358 0.000 2.104 648 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 648 N C 1.341 176.784 175.510 -0.112 0.000 1.024 648 N CA 1.601 54.536 53.050 -0.192 0.000 0.853 648 N CB -0.491 37.901 38.487 -0.158 0.000 1.008 648 N HN 0.295 nan 8.380 nan 0.000 0.424 649 D N 0.048 120.377 120.400 -0.117 0.000 2.078 649 D HA -0.140 4.500 4.640 -0.000 0.000 0.193 649 D C 1.896 178.131 176.300 -0.109 0.000 0.990 649 D CA 0.821 54.743 54.000 -0.130 0.000 0.827 649 D CB -0.663 40.022 40.800 -0.191 0.000 0.975 649 D HN 0.343 nan 8.370 nan 0.000 0.451 650 W N 0.834 122.139 121.300 0.009 0.000 2.325 650 W HA -0.134 4.526 4.660 -0.000 0.000 0.299 650 W C 2.631 179.155 176.519 0.009 0.000 1.215 650 W CA 0.864 58.248 57.345 0.064 0.000 1.244 650 W CB -0.276 29.332 29.460 0.247 0.000 1.140 650 W HN -0.021 nan 8.180 nan 0.000 0.523 651 M N -0.903 118.807 119.600 0.183 0.000 2.200 651 M HA -0.136 4.344 4.480 -0.000 0.000 0.265 651 M C 2.039 178.363 176.300 0.041 0.000 1.066 651 M CA 1.497 56.849 55.300 0.086 0.000 1.127 651 M CB -0.722 31.888 32.600 0.017 0.000 1.379 651 M HN 0.059 nan 8.290 nan 0.000 0.420 652 E N 1.123 121.329 120.200 0.010 0.000 2.007 652 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 652 E C 1.992 178.606 176.600 0.024 0.000 0.999 652 E CA 1.360 57.761 56.400 0.002 0.000 0.811 652 E CB -0.070 29.616 29.700 -0.023 0.000 0.762 652 E HN 0.265 nan 8.360 nan 0.000 0.450 653 L N 1.248 122.475 121.223 0.008 0.000 2.012 653 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 653 L C 2.595 179.508 176.870 0.071 0.000 1.073 653 L CA 2.599 57.459 54.840 0.033 0.000 0.748 653 L CB -0.935 41.081 42.059 -0.072 0.000 0.891 653 L HN 0.286 nan 8.230 nan 0.000 0.431 654 S N -1.130 114.613 115.700 0.072 0.000 2.419 654 S HA -0.213 4.256 4.470 -0.000 0.000 0.233 654 S C 2.158 176.797 174.600 0.064 0.000 1.016 654 S CA 1.100 59.344 58.200 0.075 0.000 0.974 654 S CB -0.495 62.744 63.200 0.065 0.000 0.786 654 S HN 0.539 nan 8.310 nan 0.000 0.492 655 R N 1.006 121.540 120.500 0.058 0.000 2.075 655 R HA 0.142 4.482 4.340 -0.000 0.000 0.226 655 R C 2.541 178.882 176.300 0.069 0.000 1.114 655 R CA 1.307 57.438 56.100 0.051 0.000 0.972 655 R CB -0.256 30.065 30.300 0.036 0.000 0.869 655 R HN 0.503 nan 8.270 nan 0.000 0.437 656 K N 0.702 121.152 120.400 0.083 0.000 2.032 656 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 656 K C 1.982 178.663 176.600 0.137 0.000 1.048 656 K CA 1.653 58.000 56.287 0.100 0.000 0.927 656 K CB -0.142 32.428 32.500 0.116 0.000 0.712 656 K HN 0.153 nan 8.250 nan 0.000 0.441 657 A N 1.290 124.227 122.820 0.193 0.000 1.858 657 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 657 A C 2.094 179.774 177.584 0.159 0.000 1.190 657 A CA 1.961 54.146 52.037 0.247 0.000 0.617 657 A CB -0.849 18.315 19.000 0.275 0.000 0.827 657 A HN 0.633 nan 8.150 nan 0.000 0.443 658 E N -0.028 120.242 120.200 0.117 0.000 2.130 658 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 658 E C 2.039 178.685 176.600 0.078 0.000 0.998 658 E CA 1.222 57.675 56.400 0.089 0.000 0.806 658 E CB -0.280 29.459 29.700 0.065 0.000 0.738 658 E HN 0.534 nan 8.360 nan 0.000 0.459 659 A N 0.912 123.777 122.820 0.074 0.000 1.972 659 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 659 A C 2.298 179.916 177.584 0.058 0.000 1.169 659 A CA 1.847 53.918 52.037 0.057 0.000 0.635 659 A CB -0.667 18.363 19.000 0.050 0.000 0.810 659 A HN 0.458 nan 8.150 nan 0.000 0.446 660 S N -1.972 113.772 115.700 0.074 0.000 2.515 660 S HA 0.317 4.787 4.470 -0.000 0.000 0.231 660 S C 1.422 176.065 174.600 0.072 0.000 0.987 660 S CA 1.258 59.498 58.200 0.067 0.000 0.936 660 S CB -0.260 62.987 63.200 0.079 0.000 0.766 660 S HN 1.908 nan 8.310 nan 0.000 0.528 661 G N 0.389 109.236 108.800 0.078 0.000 2.184 661 G HA2 0.029 3.989 3.960 -0.000 0.000 0.206 661 G HA3 0.029 3.989 3.960 -0.000 0.000 0.206 661 G C 0.234 175.189 174.900 0.091 0.000 0.995 661 G CA -0.195 44.950 45.100 0.074 0.000 0.651 661 G HN 1.285 nan 8.290 nan 0.000 0.511 662 A N 0.593 123.481 122.820 0.114 0.000 2.584 662 A HA 0.371 4.691 4.320 -0.000 0.000 0.239 662 A C 1.340 178.988 177.584 0.106 0.000 1.043 662 A CA 1.195 53.312 52.037 0.133 0.000 0.756 662 A CB 0.166 19.260 19.000 0.157 0.000 0.963 662 A HN 0.330 nan 8.150 nan 0.000 0.511 663 D N 0.949 121.413 120.400 0.106 0.000 2.178 663 D HA 0.147 4.787 4.640 -0.000 0.000 0.202 663 D C 0.852 177.201 176.300 0.081 0.000 0.974 663 D CA 1.992 56.033 54.000 0.069 0.000 0.841 663 D CB 0.181 41.000 40.800 0.032 0.000 0.953 663 D HN 0.798 nan 8.370 nan 0.000 0.478 664 A N -0.615 122.278 122.820 0.122 0.000 2.536 664 A HA 0.625 4.945 4.320 -0.000 0.000 0.293 664 A C -1.692 175.974 177.584 0.137 0.000 1.119 664 A CA -0.665 51.432 52.037 0.101 0.000 0.654 664 A CB 0.743 19.834 19.000 0.152 0.000 1.291 664 A HN 0.024 nan 8.150 nan 0.000 0.439 665 L N -0.005 121.279 121.223 0.101 0.000 2.323 665 L HA 0.749 5.089 4.340 -0.000 0.000 0.265 665 L C -0.223 176.781 176.870 0.223 0.000 1.012 665 L CA -0.523 54.409 54.840 0.154 0.000 0.820 665 L CB 2.158 44.300 42.059 0.138 0.000 1.334 665 L HN 0.862 nan 8.230 nan 0.000 0.427 666 E N 1.596 121.924 120.200 0.213 0.000 2.246 666 E HA 0.401 4.751 4.350 -0.000 0.000 0.266 666 E C -1.749 174.965 176.600 0.189 0.000 0.880 666 E CA -0.840 55.708 56.400 0.247 0.000 0.762 666 E CB 1.949 31.777 29.700 0.215 0.000 1.180 666 E HN 0.292 nan 8.360 nan 0.000 0.416 667 L N 4.297 125.651 121.223 0.219 0.000 2.260 667 L HA 0.238 4.578 4.340 -0.000 0.000 0.289 667 L C 0.265 177.247 176.870 0.186 0.000 1.057 667 L CA -0.279 54.691 54.840 0.216 0.000 0.811 667 L CB 0.607 42.721 42.059 0.090 0.000 1.184 667 L HN 0.425 nan 8.230 nan 0.000 0.429 668 N N 4.712 123.548 118.700 0.228 0.000 2.482 668 N HA 0.104 4.844 4.740 -0.000 0.000 0.242 668 N C -0.295 175.346 175.510 0.218 0.000 1.100 668 N CA -0.163 52.984 53.050 0.162 0.000 0.946 668 N CB 0.434 38.977 38.487 0.093 0.000 1.227 668 N HN 0.527 nan 8.380 nan 0.000 0.508 669 L N 2.311 123.624 121.223 0.151 0.000 2.873 669 L HA 0.170 4.510 4.340 -0.000 0.000 0.236 669 L C 0.902 177.842 176.870 0.116 0.000 1.375 669 L CA -0.127 54.798 54.840 0.141 0.000 1.239 669 L CB -0.203 41.894 42.059 0.062 0.000 1.603 669 L HN 0.316 nan 8.230 nan 0.000 0.430 670 S N -1.302 114.472 115.700 0.123 0.000 2.593 670 S HA 0.084 4.554 4.470 -0.000 0.000 0.236 670 S C 0.456 175.113 174.600 0.096 0.000 0.991 670 S CA -0.439 57.815 58.200 0.090 0.000 0.963 670 S CB 0.203 63.444 63.200 0.068 0.000 0.865 670 S HN 0.597 nan 8.310 nan 0.000 0.488 671 C N 3.286 122.665 119.300 0.132 0.000 2.520 671 C HA 0.500 4.960 4.460 -0.000 0.000 0.376 671 C C -2.552 172.511 174.990 0.122 0.000 1.268 671 C CA -1.755 57.340 59.018 0.129 0.000 2.414 671 C CB 0.244 28.087 27.740 0.172 0.000 2.521 671 C HN 0.212 nan 8.230 nan 0.000 0.618 672 P HA 0.196 nan 4.420 nan 0.000 0.284 672 P C 0.517 177.885 177.300 0.114 0.000 1.253 672 P CA 0.068 63.227 63.100 0.099 0.000 0.800 672 P CB 0.381 32.125 31.700 0.073 0.000 0.961 673 H N 2.859 121.947 119.070 0.030 0.000 2.293 673 H HA -0.121 4.435 4.556 -0.000 0.000 0.300 673 H C 1.177 176.535 175.328 0.049 0.000 1.082 673 H CA 2.512 58.559 56.048 -0.002 0.000 1.308 673 H CB -0.110 29.606 29.762 -0.077 0.000 1.375 673 H HN 0.658 nan 8.280 nan 0.000 0.495 674 G N 0.471 109.285 108.800 0.022 0.000 2.229 674 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.189 674 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.189 674 G C 0.278 175.225 174.900 0.079 0.000 1.000 674 G CA 0.278 45.373 45.100 -0.009 0.000 0.663 674 G HN 0.536 nan 8.290 nan 0.000 0.493 675 M N 0.603 120.346 119.600 0.237 0.000 2.593 675 M HA 0.678 5.157 4.480 -0.000 0.000 0.290 675 M C 0.334 176.718 176.300 0.139 0.000 1.244 675 M CA -0.006 55.411 55.300 0.194 0.000 0.857 675 M CB 1.696 34.438 32.600 0.237 0.000 1.738 675 M HN 0.370 nan 8.290 nan 0.000 0.461 681 G N 0.490 109.269 108.800 -0.035 0.000 2.647 681 G HA2 0.364 4.324 3.960 -0.000 0.000 0.271 681 G HA3 0.364 4.324 3.960 -0.000 0.000 0.271 681 G C 0.511 175.405 174.900 -0.010 0.000 1.300 681 G CA -0.451 44.639 45.100 -0.016 0.000 0.997 681 G HN 0.711 nan 8.290 nan 0.000 0.533 682 L N -0.068 121.165 121.223 0.017 0.000 2.209 682 L HA 0.190 4.530 4.340 -0.000 0.000 0.207 682 L C 2.031 178.935 176.870 0.057 0.000 1.094 682 L CA 0.631 55.495 54.840 0.041 0.000 0.790 682 L CB -0.499 41.592 42.059 0.053 0.000 0.932 682 L HN 0.497 nan 8.230 nan 0.000 0.447 683 A N -1.108 121.739 122.820 0.044 0.000 2.322 683 A HA 0.110 4.430 4.320 -0.000 0.000 0.269 683 A C 1.223 178.829 177.584 0.037 0.000 1.094 683 A CA -0.509 51.561 52.037 0.055 0.000 0.807 683 A CB 0.656 19.687 19.000 0.052 0.000 1.047 683 A HN 0.248 nan 8.150 nan 0.000 0.487 684 C N 1.601 120.937 119.300 0.061 0.000 2.413 684 C HA -0.089 4.371 4.460 -0.000 0.000 0.276 684 C C 2.728 177.710 174.990 -0.014 0.000 1.236 684 C CA 1.547 60.579 59.018 0.023 0.000 1.735 684 C CB -1.404 26.388 27.740 0.086 0.000 2.031 684 C HN 1.017 nan 8.230 nan 0.000 0.474 685 G N -0.874 107.935 108.800 0.015 0.000 2.615 685 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.213 685 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.213 685 G C 1.446 176.338 174.900 -0.012 0.000 1.135 685 G CA 0.416 45.517 45.100 0.002 0.000 0.772 685 G HN 0.759 nan 8.290 nan 0.000 0.542 686 Q N -0.822 118.964 119.800 -0.023 0.000 2.319 686 Q HA 0.092 4.432 4.340 -0.000 0.000 0.209 686 Q C -0.153 175.813 176.000 -0.058 0.000 0.884 686 Q CA -0.117 55.667 55.803 -0.032 0.000 0.938 686 Q CB 0.816 29.540 28.738 -0.025 0.000 1.098 686 Q HN 0.237 nan 8.270 nan 0.000 0.517 687 D N 0.415 120.765 120.400 -0.084 0.000 2.460 687 D HA 0.158 4.798 4.640 -0.000 0.000 0.232 687 D C -2.094 174.141 176.300 -0.108 0.000 1.079 687 D CA -2.214 51.716 54.000 -0.116 0.000 0.864 687 D CB 1.678 42.365 40.800 -0.188 0.000 1.048 687 D HN -0.188 nan 8.370 nan 0.000 0.523 688 P HA -0.224 nan 4.420 nan 0.000 0.217 688 P C 1.167 178.414 177.300 -0.089 0.000 1.158 688 P CA 1.286 64.340 63.100 -0.077 0.000 0.887 688 P CB 0.402 32.064 31.700 -0.063 0.000 0.792 689 E N -0.315 119.829 120.200 -0.094 0.000 2.038 689 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 689 E C 1.921 178.459 176.600 -0.104 0.000 1.000 689 E CA 1.281 57.630 56.400 -0.084 0.000 0.803 689 E CB -0.657 28.999 29.700 -0.073 0.000 0.750 689 E HN 0.110 nan 8.360 nan 0.000 0.448 690 L N 0.467 121.597 121.223 -0.155 0.000 2.042 690 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 690 L C 2.654 179.421 176.870 -0.171 0.000 1.076 690 L CA 0.926 55.649 54.840 -0.196 0.000 0.749 690 L CB -0.707 41.159 42.059 -0.321 0.000 0.893 690 L HN 0.107 nan 8.230 nan 0.000 0.432 691 V N 0.041 119.863 119.914 -0.152 0.000 2.255 691 V HA -0.333 3.786 4.120 -0.000 0.000 0.247 691 V C 2.786 178.772 176.094 -0.180 0.000 1.051 691 V CA 2.169 64.379 62.300 -0.150 0.000 1.018 691 V CB -0.671 31.096 31.823 -0.092 0.000 0.641 691 V HN 0.464 nan 8.190 nan 0.000 0.445 692 R N 0.106 120.520 120.500 -0.144 0.000 2.103 692 R HA -0.214 4.126 4.340 -0.000 0.000 0.242 692 R C 2.213 178.380 176.300 -0.222 0.000 1.142 692 R CA 2.137 58.155 56.100 -0.138 0.000 0.960 692 R CB -0.311 29.931 30.300 -0.098 0.000 0.858 692 R HN 0.582 nan 8.270 nan 0.000 0.439 693 N N 0.674 119.196 118.700 -0.297 0.000 2.106 693 N HA -0.146 4.593 4.740 -0.000 0.000 0.188 693 N C 1.958 176.788 175.510 -1.134 0.000 1.029 693 N CA 1.530 54.246 53.050 -0.556 0.000 0.848 693 N CB -0.284 37.953 38.487 -0.418 0.000 1.007 693 N HN 0.295 nan 8.380 nan 0.000 0.423 694 I N 0.846 120.790 120.570 -1.044 0.000 2.208 694 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 694 I C 2.111 177.794 176.117 -0.723 0.000 1.097 694 I CA 0.872 61.480 61.300 -1.154 0.000 1.363 694 I CB -0.354 37.075 38.000 -0.952 0.000 1.051 694 I HN 0.150 nan 8.210 nan 0.000 0.413 695 C N 0.321 119.369 119.300 -0.421 0.000 2.422 695 C HA -0.115 4.345 4.460 -0.000 0.000 0.279 695 C C 2.914 177.868 174.990 -0.060 0.000 1.305 695 C CA 0.683 59.642 59.018 -0.098 0.000 1.757 695 C CB -1.259 26.520 27.740 0.065 0.000 1.962 695 C HN 0.419 nan 8.230 nan 0.000 0.499 696 R N -0.513 119.888 120.500 -0.167 0.000 2.062 696 R HA -0.099 4.241 4.340 -0.000 0.000 0.229 696 R C 2.212 178.553 176.300 0.068 0.000 1.128 696 R CA 1.553 57.634 56.100 -0.033 0.000 0.960 696 R CB -0.247 30.033 30.300 -0.032 0.000 0.855 696 R HN 0.548 nan 8.270 nan 0.000 0.432 697 W N 0.257 121.494 121.300 -0.106 0.000 2.317 697 W HA -0.173 4.487 4.660 -0.000 0.000 0.318 697 W C 2.056 178.492 176.519 -0.140 0.000 1.227 697 W CA 0.589 57.874 57.345 -0.101 0.000 1.269 697 W CB -1.277 28.129 29.460 -0.090 0.000 1.155 697 W HN -0.077 nan 8.180 nan 0.000 0.484 698 V N 0.688 120.573 119.914 -0.048 0.000 2.427 698 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 698 V C 2.465 178.328 176.094 -0.385 0.000 1.051 698 V CA 2.196 64.300 62.300 -0.327 0.000 1.048 698 V CB -0.979 30.361 31.823 -0.805 0.000 0.666 698 V HN 0.008 nan 8.190 nan 0.000 0.456 699 R N 1.153 121.503 120.500 -0.250 0.000 2.091 699 R HA -0.216 4.124 4.340 -0.000 0.000 0.238 699 R C 2.330 178.657 176.300 0.044 0.000 1.136 699 R CA 2.226 58.354 56.100 0.048 0.000 0.959 699 R CB -0.656 29.765 30.300 0.203 0.000 0.856 699 R HN 0.699 nan 8.270 nan 0.000 0.437 700 Q N -1.053 118.770 119.800 0.039 0.000 2.389 700 Q HA 0.042 4.382 4.340 -0.000 0.000 0.204 700 Q C 1.443 177.459 176.000 0.026 0.000 0.944 700 Q CA 1.067 56.897 55.803 0.045 0.000 0.908 700 Q CB 0.079 28.856 28.738 0.065 0.000 1.002 700 Q HN 0.390 nan 8.270 nan 0.000 0.493 701 A N 1.015 123.839 122.820 0.007 0.000 1.903 701 A HA 0.179 4.499 4.320 -0.000 0.000 0.213 701 A C 1.151 178.737 177.584 0.003 0.000 1.185 701 A CA 0.904 52.944 52.037 0.005 0.000 0.628 701 A CB -0.078 18.928 19.000 0.010 0.000 0.830 701 A HN 0.359 nan 8.150 nan 0.000 0.446 702 V N -4.102 115.805 119.914 -0.012 0.000 3.113 702 V HA 0.504 4.624 4.120 -0.000 0.000 0.316 702 V C 0.183 176.301 176.094 0.039 0.000 1.125 702 V CA -0.665 61.642 62.300 0.012 0.000 1.026 702 V CB 1.650 33.477 31.823 0.006 0.000 1.080 702 V HN 0.328 nan 8.190 nan 0.000 0.444 703 Q N 1.342 121.170 119.800 0.046 0.000 2.394 703 Q HA 0.326 4.666 4.340 -0.000 0.000 0.218 703 Q C 0.948 176.984 176.000 0.059 0.000 0.907 703 Q CA 0.596 56.431 55.803 0.053 0.000 0.919 703 Q CB 0.460 29.221 28.738 0.039 0.000 1.051 703 Q HN 0.916 nan 8.270 nan 0.000 0.538 704 I N 1.717 122.320 120.570 0.056 0.000 2.752 704 I HA 0.152 4.322 4.170 -0.000 0.000 0.287 704 I C -2.086 174.057 176.117 0.043 0.000 1.188 704 I CA -1.896 59.431 61.300 0.044 0.000 1.427 704 I CB -0.235 37.794 38.000 0.048 0.000 1.365 704 I HN -0.171 nan 8.210 nan 0.000 0.585 705 P HA 0.117 nan 4.420 nan 0.000 0.267 705 P C -1.024 176.070 177.300 -0.343 0.000 1.200 705 P CA 0.315 63.291 63.100 -0.207 0.000 0.772 705 P CB 0.453 32.004 31.700 -0.248 0.000 0.855 706 F N 0.230 119.789 119.950 -0.652 0.000 2.599 706 F HA 0.772 5.298 4.527 -0.000 0.000 0.311 706 F C -1.620 173.693 175.800 -0.812 0.000 1.076 706 F CA -1.440 56.173 58.000 -0.644 0.000 0.937 706 F CB 1.248 40.106 39.000 -0.237 0.000 1.282 706 F HN 0.069 nan 8.300 nan 0.000 0.460 707 F N 1.230 121.178 119.950 -0.005 0.000 2.577 707 F HA 0.814 5.341 4.527 -0.000 0.000 0.318 707 F C -0.093 175.728 175.800 0.035 0.000 1.065 707 F CA -1.477 56.453 58.000 -0.117 0.000 0.929 707 F CB 2.061 40.993 39.000 -0.115 0.000 1.237 707 F HN 0.835 nan 8.300 nan 0.000 0.468 708 A N 1.937 124.865 122.820 0.179 0.000 2.260 708 A HA 0.473 4.792 4.320 -0.000 0.000 0.308 708 A C -0.402 177.250 177.584 0.113 0.000 1.254 708 A CA -0.757 51.366 52.037 0.143 0.000 0.874 708 A CB 0.552 19.614 19.000 0.104 0.000 1.153 708 A HN 0.763 nan 8.150 nan 0.000 0.527 709 K N 4.498 124.961 120.400 0.104 0.000 2.250 709 K HA 0.402 4.722 4.320 -0.000 0.000 0.285 709 K C -0.723 175.911 176.600 0.058 0.000 1.097 709 K CA -0.238 56.092 56.287 0.072 0.000 0.913 709 K CB -0.134 32.409 32.500 0.072 0.000 1.179 709 K HN 0.723 nan 8.250 nan 0.000 0.462 710 L N 2.592 123.844 121.223 0.049 0.000 2.439 710 L HA 0.160 4.500 4.340 -0.000 0.000 0.269 710 L C 0.867 177.758 176.870 0.036 0.000 1.179 710 L CA -0.346 54.519 54.840 0.042 0.000 0.828 710 L CB 1.031 43.117 42.059 0.045 0.000 1.106 710 L HN 0.538 nan 8.230 nan 0.000 0.467 711 T N 2.171 116.743 114.554 0.031 0.000 2.875 711 T HA 0.342 4.692 4.350 -0.000 0.000 0.284 711 T C -1.513 173.201 174.700 0.025 0.000 0.995 711 T CA -1.757 60.360 62.100 0.029 0.000 1.060 711 T CB 1.427 70.311 68.868 0.026 0.000 0.967 711 T HN 0.497 nan 8.240 nan 0.000 0.476 712 P HA 0.067 nan 4.420 nan 0.000 0.235 712 P C 0.165 177.473 177.300 0.013 0.000 1.177 712 P CA 0.218 63.332 63.100 0.024 0.000 0.785 712 P CB 0.291 32.010 31.700 0.031 0.000 0.885 713 N N 1.439 120.145 118.700 0.009 0.000 3.210 713 N HA 0.127 4.867 4.740 -0.000 0.000 0.314 713 N C 0.119 175.626 175.510 -0.005 0.000 1.291 713 N CA 0.320 53.370 53.050 -0.001 0.000 1.202 713 N CB 0.025 38.511 38.487 -0.003 0.000 1.475 713 N HN 0.185 nan 8.380 nan 0.000 0.554 714 V N -3.751 116.160 119.914 -0.004 0.000 2.971 714 V HA 0.371 4.491 4.120 -0.000 0.000 0.309 714 V C 1.199 177.287 176.094 -0.010 0.000 1.130 714 V CA -0.835 61.459 62.300 -0.009 0.000 0.964 714 V CB 1.598 33.416 31.823 -0.008 0.000 1.029 714 V HN -0.025 nan 8.190 nan 0.000 0.427 715 T N 1.111 115.656 114.554 -0.015 0.000 2.803 715 T HA -0.068 4.282 4.350 -0.000 0.000 0.269 715 T C 0.371 175.064 174.700 -0.011 0.000 1.052 715 T CA 2.471 64.562 62.100 -0.014 0.000 1.136 715 T CB -0.269 68.588 68.868 -0.018 0.000 0.864 715 T HN 0.933 nan 8.240 nan 0.000 0.467 716 D N -0.776 119.617 120.400 -0.011 0.000 2.479 716 D HA 0.285 4.925 4.640 -0.000 0.000 0.246 716 D C 0.331 176.629 176.300 -0.005 0.000 1.336 716 D CA -0.442 53.553 54.000 -0.008 0.000 0.967 716 D CB 0.720 41.513 40.800 -0.012 0.000 1.275 716 D HN 0.046 nan 8.370 nan 0.000 0.577 717 I N 3.109 123.682 120.570 0.004 0.000 2.617 717 I HA -0.122 4.048 4.170 -0.000 0.000 0.256 717 I C 1.475 177.601 176.117 0.014 0.000 1.167 717 I CA 0.519 61.826 61.300 0.012 0.000 1.469 717 I CB 0.521 38.535 38.000 0.023 0.000 1.098 717 I HN 0.271 nan 8.210 nan 0.000 0.436 718 V N 0.970 120.890 119.914 0.010 0.000 2.594 718 V HA -0.245 3.875 4.120 -0.000 0.000 0.253 718 V C 2.590 178.678 176.094 -0.011 0.000 1.069 718 V CA 1.944 64.248 62.300 0.007 0.000 1.082 718 V CB -0.929 30.894 31.823 0.001 0.000 0.680 718 V HN 0.633 nan 8.190 nan 0.000 0.469 719 S N 1.516 117.206 115.700 -0.016 0.000 2.371 719 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 719 S C 1.966 176.547 174.600 -0.032 0.000 1.029 719 S CA 1.507 59.690 58.200 -0.029 0.000 0.978 719 S CB -0.628 62.554 63.200 -0.030 0.000 0.833 719 S HN 0.720 nan 8.310 nan 0.000 0.466 720 I N 0.001 120.559 120.570 -0.020 0.000 2.761 720 I HA 0.237 4.407 4.170 -0.000 0.000 0.261 720 I C 2.596 178.713 176.117 -0.000 0.000 1.198 720 I CA 0.810 62.099 61.300 -0.019 0.000 1.482 720 I CB -0.751 37.241 38.000 -0.013 0.000 1.100 720 I HN 0.324 nan 8.210 nan 0.000 0.445 721 A N 2.102 124.933 122.820 0.019 0.000 1.898 721 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 721 A C 2.615 180.192 177.584 -0.011 0.000 1.181 721 A CA 1.627 53.705 52.037 0.068 0.000 0.620 721 A CB -0.613 18.444 19.000 0.095 0.000 0.819 721 A HN 0.506 nan 8.150 nan 0.000 0.442 722 R N -0.277 120.179 120.500 -0.073 0.000 2.062 722 R HA -0.015 4.325 4.340 -0.000 0.000 0.229 722 R C 2.238 178.456 176.300 -0.136 0.000 1.128 722 R CA 1.392 57.401 56.100 -0.153 0.000 0.960 722 R CB -0.467 29.764 30.300 -0.114 0.000 0.855 722 R HN 0.362 nan 8.270 nan 0.000 0.432 723 A N 0.668 123.437 122.820 -0.085 0.000 2.032 723 A HA -0.130 4.190 4.320 -0.000 0.000 0.221 723 A C 2.255 179.796 177.584 -0.071 0.000 1.165 723 A CA 1.787 53.778 52.037 -0.077 0.000 0.645 723 A CB -0.615 18.344 19.000 -0.067 0.000 0.807 723 A HN 0.584 nan 8.150 nan 0.000 0.453 724 A N -0.726 122.067 122.820 -0.045 0.000 1.975 724 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 724 A C 2.058 179.636 177.584 -0.011 0.000 1.170 724 A CA 1.475 53.513 52.037 0.001 0.000 0.656 724 A CB -0.278 18.763 19.000 0.069 0.000 0.821 724 A HN 0.516 nan 8.150 nan 0.000 0.449 725 K N 0.167 120.485 120.400 -0.137 0.000 2.155 725 K HA -0.109 4.211 4.320 -0.000 0.000 0.203 725 K C 1.631 178.122 176.600 -0.181 0.000 1.052 725 K CA 1.389 57.489 56.287 -0.312 0.000 0.948 725 K CB -0.100 31.872 32.500 -0.881 0.000 0.728 725 K HN 0.600 nan 8.250 nan 0.000 0.448 726 E N -0.581 119.531 120.200 -0.146 0.000 2.152 726 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 726 E C 1.840 178.408 176.600 -0.053 0.000 0.983 726 E CA 0.908 57.250 56.400 -0.096 0.000 0.818 726 E CB -0.009 29.638 29.700 -0.088 0.000 0.758 726 E HN 0.465 nan 8.360 nan 0.000 0.467 727 G N 0.078 108.852 108.800 -0.044 0.000 2.679 727 G HA2 0.025 3.985 3.960 -0.000 0.000 0.212 727 G HA3 0.025 3.985 3.960 -0.000 0.000 0.212 727 G C 1.092 176.026 174.900 0.056 0.000 1.137 727 G CA 0.586 45.676 45.100 -0.016 0.000 0.787 727 G HN 0.435 nan 8.290 nan 0.000 0.534 728 G N -1.389 107.439 108.800 0.047 0.000 2.231 728 G HA2 0.168 4.128 3.960 -0.000 0.000 0.206 728 G HA3 0.168 4.128 3.960 -0.000 0.000 0.206 728 G C 0.625 175.513 174.900 -0.021 0.000 0.996 728 G CA 0.268 45.418 45.100 0.085 0.000 0.645 728 G HN 1.315 nan 8.290 nan 0.000 0.498 729 A N 0.556 123.293 122.820 -0.138 0.000 2.555 729 A HA 0.433 4.753 4.320 -0.000 0.000 0.233 729 A C 1.006 178.390 177.584 -0.333 0.000 1.060 729 A CA 1.178 52.819 52.037 -0.660 0.000 0.759 729 A CB 0.172 19.015 19.000 -0.262 0.000 0.995 729 A HN 0.301 nan 8.150 nan 0.000 0.506 730 D N 0.616 120.680 120.400 -0.561 0.000 2.339 730 D HA 0.306 4.946 4.640 -0.000 0.000 0.217 730 D C 0.715 176.954 176.300 -0.101 0.000 1.050 730 D CA 1.355 55.223 54.000 -0.221 0.000 0.856 730 D CB 0.455 41.055 40.800 -0.333 0.000 0.922 730 D HN 0.828 nan 8.370 nan 0.000 0.518 731 G N 0.319 109.024 108.800 -0.158 0.000 2.338 731 G HA2 0.355 4.315 3.960 -0.000 0.000 0.295 731 G HA3 0.355 4.315 3.960 -0.000 0.000 0.295 731 G C -1.444 173.328 174.900 -0.214 0.000 1.461 731 G CA -0.530 44.268 45.100 -0.503 0.000 0.817 731 G HN 0.037 nan 8.290 nan 0.000 0.556 732 V N -2.397 117.296 119.914 -0.369 0.000 2.823 732 V HA 0.924 5.044 4.120 -0.000 0.000 0.312 732 V C -0.156 175.863 176.094 -0.125 0.000 1.072 732 V CA -0.784 61.469 62.300 -0.078 0.000 0.937 732 V CB 1.720 33.583 31.823 0.065 0.000 1.013 732 V HN 0.863 nan 8.190 nan 0.000 0.430 733 T N 3.581 118.108 114.554 -0.046 0.000 2.767 733 T HA 0.778 5.128 4.350 -0.000 0.000 0.284 733 T C -0.062 174.626 174.700 -0.020 0.000 0.973 733 T CA 0.207 62.267 62.100 -0.067 0.000 0.996 733 T CB 1.097 69.952 68.868 -0.022 0.000 0.927 733 T HN 1.414 nan 8.240 nan 0.000 0.456 734 A N 3.300 126.105 122.820 -0.025 0.000 2.353 734 A HA 0.813 5.133 4.320 -0.000 0.000 0.299 734 A C 0.213 177.809 177.584 0.019 0.000 1.089 734 A CA -0.764 51.284 52.037 0.018 0.000 0.736 734 A CB 1.089 20.116 19.000 0.045 0.000 1.195 734 A HN 0.831 nan 8.150 nan 0.000 0.447 735 T N -0.529 114.040 114.554 0.024 0.000 2.716 735 T HA 0.533 4.883 4.350 -0.000 0.000 0.286 735 T C -0.133 174.580 174.700 0.021 0.000 1.052 735 T CA -0.902 61.216 62.100 0.030 0.000 1.024 735 T CB 1.211 70.106 68.868 0.045 0.000 1.349 735 T HN 0.485 nan 8.240 nan 0.000 0.525 736 N N 0.482 119.198 118.700 0.027 0.000 2.418 736 N HA 0.310 5.050 4.740 -0.000 0.000 0.283 736 N C 0.107 175.634 175.510 0.029 0.000 1.267 736 N CA 0.075 53.139 53.050 0.025 0.000 0.975 736 N CB 1.394 39.898 38.487 0.029 0.000 1.167 736 N HN 0.970 nan 8.380 nan 0.000 0.581 737 T N -1.517 113.054 114.554 0.029 0.000 2.932 737 T HA 0.176 4.526 4.350 -0.000 0.000 0.312 737 T C 0.425 175.145 174.700 0.033 0.000 1.071 737 T CA -0.613 61.508 62.100 0.034 0.000 1.128 737 T CB 0.211 69.100 68.868 0.037 0.000 0.984 737 T HN 0.115 nan 8.240 nan 0.000 0.549 738 V N 3.276 123.211 119.914 0.033 0.000 2.488 738 V HA 0.292 4.412 4.120 -0.000 0.000 0.277 738 V C 0.978 177.084 176.094 0.019 0.000 1.046 738 V CA -0.534 61.780 62.300 0.023 0.000 0.986 738 V CB 1.157 32.993 31.823 0.022 0.000 0.989 738 V HN 1.122 nan 8.190 nan 0.000 0.475 739 S N 3.398 119.102 115.700 0.007 0.000 2.549 739 S HA 0.656 5.126 4.470 -0.000 0.000 0.279 739 S C 0.273 174.860 174.600 -0.023 0.000 1.321 739 S CA 0.427 58.628 58.200 0.003 0.000 1.054 739 S CB 0.383 63.576 63.200 -0.012 0.000 0.899 739 S HN 1.253 nan 8.310 nan 0.000 0.497 740 G N 2.442 111.242 108.800 0.001 0.000 2.441 740 G HA2 0.478 4.438 3.960 -0.000 0.000 0.294 740 G HA3 0.478 4.438 3.960 -0.000 0.000 0.294 740 G C -2.287 172.648 174.900 0.059 0.000 1.393 740 G CA -0.761 44.333 45.100 -0.010 0.000 0.796 740 G HN 0.710 nan 8.290 nan 0.000 0.494 741 L N 0.226 121.487 121.223 0.063 0.000 2.341 741 L HA 0.686 5.025 4.340 -0.000 0.000 0.278 741 L C 1.015 177.928 176.870 0.071 0.000 1.005 741 L CA -0.804 54.103 54.840 0.111 0.000 0.818 741 L CB 1.984 44.131 42.059 0.147 0.000 1.259 741 L HN 0.603 nan 8.230 nan 0.000 0.418 742 M N 2.795 122.438 119.600 0.071 0.000 2.561 742 M HA 0.489 4.969 4.480 -0.000 0.000 0.238 742 M C 0.365 176.715 176.300 0.083 0.000 1.131 742 M CA 0.286 55.625 55.300 0.064 0.000 1.046 742 M CB -0.603 32.033 32.600 0.060 0.000 1.532 742 M HN 0.654 nan 8.290 nan 0.000 0.497 743 G N -0.646 108.209 108.800 0.092 0.000 2.355 743 G HA2 0.197 4.157 3.960 -0.000 0.000 0.619 743 G HA3 0.197 4.157 3.960 -0.000 0.000 0.619 743 G C -1.901 173.070 174.900 0.118 0.000 1.337 743 G CA -0.971 44.186 45.100 0.095 0.000 0.993 743 G HN 0.255 nan 8.290 nan 0.000 0.599 744 L N -0.102 121.178 121.223 0.096 0.000 2.376 744 L HA 0.589 4.929 4.340 -0.000 0.000 0.258 744 L C 0.459 177.370 176.870 0.068 0.000 1.013 744 L CA -1.340 53.556 54.840 0.093 0.000 0.822 744 L CB 2.219 44.320 42.059 0.069 0.000 1.388 744 L HN 0.557 nan 8.230 nan 0.000 0.413 745 K N 0.295 120.730 120.400 0.057 0.000 2.318 745 K HA 0.382 4.702 4.320 -0.000 0.000 0.243 745 K C 0.833 177.443 176.600 0.016 0.000 1.047 745 K CA -0.028 56.271 56.287 0.020 0.000 0.937 745 K CB 0.684 33.185 32.500 0.002 0.000 1.225 745 K HN 0.725 nan 8.250 nan 0.000 0.506 746 A N 1.020 123.842 122.820 0.002 0.000 2.066 746 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 746 A C 1.279 178.866 177.584 0.006 0.000 1.157 746 A CA 1.760 53.798 52.037 0.003 0.000 0.670 746 A CB -0.526 18.471 19.000 -0.005 0.000 0.804 746 A HN 0.772 nan 8.150 nan 0.000 0.453 747 D N -2.119 118.284 120.400 0.006 0.000 2.349 747 D HA 0.257 4.897 4.640 -0.000 0.000 0.224 747 D C 1.204 177.514 176.300 0.017 0.000 1.029 747 D CA 0.963 54.968 54.000 0.009 0.000 0.879 747 D CB -0.491 40.312 40.800 0.006 0.000 0.906 747 D HN 0.667 nan 8.370 nan 0.000 0.528 748 G N 0.031 108.846 108.800 0.024 0.000 2.225 748 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 748 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 748 G C 0.560 175.486 174.900 0.043 0.000 0.988 748 G CA 0.540 45.658 45.100 0.031 0.000 0.625 748 G HN 0.859 nan 8.290 nan 0.000 0.527 749 T N 1.074 115.657 114.554 0.048 0.000 2.919 749 T HA 0.601 4.951 4.350 -0.000 0.000 0.302 749 T C -1.301 173.461 174.700 0.104 0.000 1.031 749 T CA -0.571 61.570 62.100 0.069 0.000 1.127 749 T CB 2.481 71.391 68.868 0.071 0.000 0.952 749 T HN 0.301 nan 8.240 nan 0.000 0.540 750 P HA 0.265 nan 4.420 nan 0.000 0.297 750 P C -0.976 176.512 177.300 0.313 0.000 1.303 750 P CA -0.778 62.418 63.100 0.161 0.000 0.753 750 P CB 0.824 32.581 31.700 0.095 0.000 1.281 751 W N 0.696 122.009 121.300 0.022 0.000 3.889 751 W HA 0.200 4.860 4.660 -0.000 0.000 0.310 751 W C -2.801 173.737 176.519 0.032 0.000 1.167 751 W CA -1.798 55.562 57.345 0.026 0.000 1.299 751 W CB 1.751 31.228 29.460 0.028 0.000 1.214 751 W HN 0.254 nan 8.180 nan 0.000 0.451 752 P HA 0.204 nan 4.420 nan 0.000 0.267 752 P C -0.726 176.384 177.300 -0.317 0.000 1.200 752 P CA 0.229 62.761 63.100 -0.946 0.000 0.772 752 P CB 1.323 32.628 31.700 -0.658 0.000 0.855 753 A N 3.471 126.190 122.820 -0.168 0.000 2.360 753 A HA 0.467 4.787 4.320 -0.000 0.000 0.309 753 A C -0.275 177.330 177.584 0.035 0.000 1.311 753 A CA -0.668 51.421 52.037 0.086 0.000 0.805 753 A CB 0.545 19.734 19.000 0.314 0.000 1.144 753 A HN 0.323 nan 8.150 nan 0.000 0.486 754 V N 2.354 122.260 119.914 -0.014 0.000 2.607 754 V HA 0.690 4.810 4.120 -0.000 0.000 0.289 754 V C 1.210 177.310 176.094 0.011 0.000 1.053 754 V CA 0.899 63.191 62.300 -0.014 0.000 0.996 754 V CB 0.617 32.416 31.823 -0.040 0.000 0.995 754 V HN 1.928 nan 8.190 nan 0.000 0.476 755 G N 3.822 112.632 108.800 0.016 0.000 2.894 755 G HA2 0.057 4.016 3.960 -0.000 0.000 0.247 755 G HA3 0.057 4.016 3.960 -0.000 0.000 0.247 755 G C 0.774 175.692 174.900 0.030 0.000 1.442 755 G CA 0.119 45.230 45.100 0.018 0.000 0.897 755 G HN 1.553 nan 8.290 nan 0.000 0.550 756 A N -0.545 122.289 122.820 0.024 0.000 2.119 756 A HA 0.417 4.737 4.320 -0.000 0.000 0.216 756 A C 2.561 180.160 177.584 0.025 0.000 1.152 756 A CA 2.024 54.077 52.037 0.026 0.000 0.708 756 A CB -0.414 18.598 19.000 0.019 0.000 0.805 756 A HN 2.255 nan 8.150 nan 0.000 0.460 757 G N -0.581 108.231 108.800 0.019 0.000 3.026 757 G HA2 0.143 4.103 3.960 -0.000 0.000 0.208 757 G HA3 0.143 4.103 3.960 -0.000 0.000 0.208 757 G C 0.551 175.464 174.900 0.022 0.000 1.169 757 G CA 0.124 45.234 45.100 0.016 0.000 0.788 757 G HN 0.519 nan 8.290 nan 0.000 0.533 758 K N 0.064 120.485 120.400 0.036 0.000 3.311 758 K HA -0.216 4.104 4.320 -0.000 0.000 0.270 758 K C 0.334 176.956 176.600 0.037 0.000 0.927 758 K CA 0.525 56.845 56.287 0.054 0.000 0.706 758 K CB -0.877 31.662 32.500 0.066 0.000 1.418 758 K HN 0.482 nan 8.250 nan 0.000 0.459 759 R N -0.175 120.333 120.500 0.014 0.000 2.691 759 R HA 0.588 4.928 4.340 -0.000 0.000 0.259 759 R C 0.405 176.689 176.300 -0.027 0.000 1.048 759 R CA -0.562 55.533 56.100 -0.009 0.000 1.086 759 R CB 1.860 32.147 30.300 -0.021 0.000 1.166 759 R HN 0.230 nan 8.270 nan 0.000 0.526 760 T N -1.116 113.406 114.554 -0.053 0.000 2.718 760 T HA 0.323 4.672 4.350 -0.000 0.000 0.306 760 T C -1.437 173.189 174.700 -0.123 0.000 1.485 760 T CA -0.411 61.643 62.100 -0.076 0.000 0.997 760 T CB 1.990 70.824 68.868 -0.057 0.000 1.504 760 T HN 0.547 nan 8.240 nan 0.000 0.497 761 T N 0.068 114.540 114.554 -0.136 0.000 2.841 761 T HA 0.645 4.995 4.350 -0.000 0.000 0.296 761 T C -1.403 173.210 174.700 -0.145 0.000 1.166 761 T CA -0.526 61.435 62.100 -0.231 0.000 1.007 761 T CB 0.736 69.508 68.868 -0.161 0.000 1.253 761 T HN 0.525 nan 8.240 nan 0.000 0.511 762 Y N 1.091 121.389 120.300 -0.004 0.000 2.650 762 Y HA 0.407 4.957 4.550 -0.000 0.000 0.331 762 Y C 1.384 177.281 175.900 -0.005 0.000 1.165 762 Y CA -0.275 57.824 58.100 -0.002 0.000 1.473 762 Y CB 0.414 38.876 38.460 0.004 0.000 1.224 762 Y HN 0.739 nan 8.280 nan 0.000 0.533 763 G N 1.516 110.407 108.800 0.151 0.000 2.753 763 G HA2 0.589 4.549 3.960 -0.000 0.000 0.285 763 G HA3 0.589 4.549 3.960 -0.000 0.000 0.285 763 G C -0.560 174.383 174.900 0.072 0.000 1.344 763 G CA -0.746 44.400 45.100 0.077 0.000 1.050 763 G HN 0.776 nan 8.290 nan 0.000 0.532 764 G N -1.211 107.619 108.800 0.050 0.000 2.417 764 G HA2 0.493 4.453 3.960 -0.000 0.000 0.320 764 G HA3 0.493 4.453 3.960 -0.000 0.000 0.320 764 G C -0.866 174.066 174.900 0.054 0.000 1.204 764 G CA -0.259 44.870 45.100 0.047 0.000 0.923 764 G HN 0.559 nan 8.290 nan 0.000 0.466 765 V N 2.316 122.261 119.914 0.052 0.000 2.432 765 V HA 0.553 4.673 4.120 -0.000 0.000 0.275 765 V C 0.463 176.601 176.094 0.073 0.000 1.043 765 V CA -0.339 61.998 62.300 0.063 0.000 0.925 765 V CB 0.716 32.566 31.823 0.045 0.000 0.985 765 V HN 0.963 nan 8.190 nan 0.000 0.466 766 S N 3.070 118.835 115.700 0.109 0.000 2.671 766 S HA 1.028 5.498 4.470 -0.000 0.000 0.299 766 S C -0.060 174.636 174.600 0.161 0.000 1.116 766 S CA -0.165 58.105 58.200 0.116 0.000 0.912 766 S CB 2.153 65.418 63.200 0.108 0.000 1.130 766 S HN 1.898 nan 8.310 nan 0.000 0.501 767 G N 0.419 109.308 108.800 0.148 0.000 2.422 767 G HA2 0.052 4.012 3.960 -0.000 0.000 0.607 767 G HA3 0.052 4.012 3.960 -0.000 0.000 0.607 767 G C 0.458 175.422 174.900 0.107 0.000 1.270 767 G CA 0.360 45.557 45.100 0.162 0.000 0.992 767 G HN 1.681 nan 8.290 nan 0.000 0.499 768 T N -1.452 113.157 114.554 0.093 0.000 2.962 768 T HA 0.230 4.580 4.350 -0.000 0.000 0.270 768 T C 2.521 177.258 174.700 0.062 0.000 1.088 768 T CA 2.180 64.328 62.100 0.079 0.000 1.127 768 T CB -0.261 68.647 68.868 0.065 0.000 0.883 768 T HN 2.011 nan 8.240 nan 0.000 0.493 769 A N 1.803 124.649 122.820 0.044 0.000 2.178 769 A HA 0.241 4.561 4.320 -0.000 0.000 0.218 769 A C 2.154 179.763 177.584 0.042 0.000 1.157 769 A CA 1.106 53.161 52.037 0.030 0.000 0.689 769 A CB -0.853 18.154 19.000 0.010 0.000 0.787 769 A HN 0.898 nan 8.150 nan 0.000 0.465 770 I N -5.353 115.253 120.570 0.061 0.000 4.025 770 I HA 0.338 4.508 4.170 -0.000 0.000 0.336 770 I C 1.573 177.747 176.117 0.095 0.000 1.390 770 I CA -0.173 61.166 61.300 0.066 0.000 1.099 770 I CB 0.165 38.203 38.000 0.064 0.000 1.049 770 I HN 0.098 nan 8.210 nan 0.000 0.394 771 R N 2.069 122.637 120.500 0.114 0.000 2.081 771 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 771 R C -0.548 175.830 176.300 0.130 0.000 1.131 771 R CA 1.918 58.126 56.100 0.180 0.000 0.960 771 R CB -1.124 29.287 30.300 0.184 0.000 0.856 771 R HN 0.315 nan 8.270 nan 0.000 0.436 772 P HA -0.155 nan 4.420 nan 0.000 0.217 772 P C 0.973 178.293 177.300 0.033 0.000 1.148 772 P CA 1.353 64.471 63.100 0.029 0.000 0.828 772 P CB 0.014 31.727 31.700 0.022 0.000 0.783 773 I N -1.005 119.597 120.570 0.054 0.000 2.235 773 I HA -0.167 4.003 4.170 -0.000 0.000 0.241 773 I C 2.337 178.501 176.117 0.079 0.000 1.085 773 I CA 1.270 62.601 61.300 0.053 0.000 1.378 773 I CB -0.886 37.144 38.000 0.049 0.000 1.076 773 I HN -0.110 nan 8.210 nan 0.000 0.415 774 A N 0.931 123.831 122.820 0.133 0.000 1.933 774 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 774 A C 2.346 180.072 177.584 0.236 0.000 1.175 774 A CA 1.386 53.548 52.037 0.208 0.000 0.628 774 A CB -0.830 18.338 19.000 0.281 0.000 0.814 774 A HN 0.366 nan 8.150 nan 0.000 0.444 775 L N -0.886 120.404 121.223 0.111 0.000 1.994 775 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 775 L C 2.864 179.689 176.870 -0.075 0.000 1.071 775 L CA 1.926 56.664 54.840 -0.171 0.000 0.745 775 L CB -0.413 41.468 42.059 -0.296 0.000 0.892 775 L HN 0.566 nan 8.230 nan 0.000 0.431 776 R N 0.299 120.785 120.500 -0.023 0.000 2.082 776 R HA -0.237 4.103 4.340 -0.000 0.000 0.234 776 R C 2.260 178.569 176.300 0.014 0.000 1.136 776 R CA 1.813 57.909 56.100 -0.007 0.000 0.935 776 R CB -0.501 29.803 30.300 0.006 0.000 0.842 776 R HN 0.330 nan 8.270 nan 0.000 0.430 777 A N 0.605 123.448 122.820 0.038 0.000 1.903 777 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 777 A C 2.380 179.998 177.584 0.056 0.000 1.191 777 A CA 2.174 54.241 52.037 0.050 0.000 0.638 777 A CB -0.820 18.219 19.000 0.065 0.000 0.823 777 A HN 0.297 nan 8.150 nan 0.000 0.451 778 V N 0.326 120.285 119.914 0.075 0.000 2.358 778 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 778 V C 2.926 179.041 176.094 0.034 0.000 1.047 778 V CA 2.390 64.737 62.300 0.077 0.000 1.035 778 V CB -1.350 30.563 31.823 0.150 0.000 0.658 778 V HN 0.842 nan 8.190 nan 0.000 0.452 779 T N -1.307 113.247 114.554 -0.000 0.000 2.867 779 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 779 T C 1.862 176.569 174.700 0.011 0.000 1.057 779 T CA 1.764 63.861 62.100 -0.005 0.000 1.136 779 T CB -0.765 68.087 68.868 -0.026 0.000 0.874 779 T HN 0.637 nan 8.240 nan 0.000 0.466 780 T N 1.623 116.187 114.554 0.016 0.000 2.737 780 T HA 0.101 4.451 4.350 -0.000 0.000 0.265 780 T C 2.059 176.776 174.700 0.028 0.000 1.038 780 T CA 0.815 62.926 62.100 0.019 0.000 1.144 780 T CB -0.747 68.132 68.868 0.019 0.000 0.866 780 T HN 0.394 nan 8.240 nan 0.000 0.434 781 I N 1.927 122.523 120.570 0.043 0.000 2.361 781 I HA -0.094 4.076 4.170 -0.000 0.000 0.251 781 I C 3.075 179.238 176.117 0.075 0.000 1.133 781 I CA 1.057 62.398 61.300 0.067 0.000 1.413 781 I CB -0.537 37.519 38.000 0.094 0.000 1.073 781 I HN 0.330 nan 8.210 nan 0.000 0.424 782 A N 0.773 123.625 122.820 0.054 0.000 2.014 782 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 782 A C 2.341 179.945 177.584 0.034 0.000 1.163 782 A CA 1.100 53.165 52.037 0.048 0.000 0.652 782 A CB -0.324 18.693 19.000 0.029 0.000 0.808 782 A HN 0.346 nan 8.150 nan 0.000 0.449 783 R N -1.046 119.468 120.500 0.022 0.000 2.189 783 R HA 0.237 4.577 4.340 -0.000 0.000 0.203 783 R C 2.322 178.626 176.300 0.007 0.000 1.012 783 R CA 0.773 56.878 56.100 0.009 0.000 1.015 783 R CB -0.153 30.149 30.300 0.002 0.000 0.938 783 R HN 0.445 nan 8.270 nan 0.000 0.472 784 A N 1.248 124.074 122.820 0.011 0.000 1.874 784 A HA 0.047 4.367 4.320 -0.000 0.000 0.214 784 A C 1.177 178.754 177.584 -0.012 0.000 1.189 784 A CA 0.780 52.815 52.037 -0.003 0.000 0.615 784 A CB 0.001 18.999 19.000 -0.004 0.000 0.830 784 A HN 0.136 nan 8.150 nan 0.000 0.443 785 L N 1.713 122.942 121.223 0.009 0.000 2.709 785 L HA 0.281 4.620 4.340 -0.000 0.000 0.236 785 L C -2.517 174.396 176.870 0.071 0.000 1.266 785 L CA -1.923 52.914 54.840 -0.004 0.000 0.987 785 L CB 0.701 42.718 42.059 -0.069 0.000 1.306 785 L HN 0.137 nan 8.230 nan 0.000 0.467 786 P HA -0.018 nan 4.420 nan 0.000 0.265 786 P C 1.030 178.374 177.300 0.074 0.000 1.187 786 P CA 1.231 64.360 63.100 0.049 0.000 0.766 786 P CB 1.283 32.993 31.700 0.018 0.000 0.820 787 G N 2.399 111.242 108.800 0.072 0.000 2.347 787 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.247 787 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.247 787 G C 0.007 174.981 174.900 0.124 0.000 1.037 787 G CA -0.026 45.117 45.100 0.073 0.000 0.622 787 G HN 0.562 nan 8.290 nan 0.000 0.521 788 F N 4.384 124.322 119.950 -0.021 0.000 2.571 788 F HA 0.514 5.041 4.527 -0.000 0.000 0.384 788 F C -1.587 174.198 175.800 -0.026 0.000 1.058 788 F CA -2.495 55.492 58.000 -0.021 0.000 1.200 788 F CB 0.471 39.457 39.000 -0.022 0.000 1.077 788 F HN -0.022 nan 8.300 nan 0.000 0.558 789 P HA 0.107 nan 4.420 nan 0.000 0.261 789 P C -0.798 176.183 177.300 -0.532 0.000 1.183 789 P CA 0.667 63.509 63.100 -0.430 0.000 0.761 789 P CB 0.204 31.698 31.700 -0.343 0.000 0.785 790 I N 4.178 124.538 120.570 -0.349 0.000 2.447 790 I HA 0.232 4.402 4.170 -0.000 0.000 0.287 790 I C -0.580 175.356 176.117 -0.302 0.000 1.023 790 I CA -0.890 60.240 61.300 -0.284 0.000 1.083 790 I CB 1.606 39.526 38.000 -0.133 0.000 1.245 790 I HN 0.020 nan 8.210 nan 0.000 0.434 791 L N 6.413 127.430 121.223 -0.344 0.000 2.259 791 L HA 0.567 4.907 4.340 -0.000 0.000 0.288 791 L C 0.591 177.344 176.870 -0.195 0.000 1.051 791 L CA 0.041 54.676 54.840 -0.342 0.000 0.824 791 L CB 1.129 42.924 42.059 -0.440 0.000 1.206 791 L HN 0.646 nan 8.230 nan 0.000 0.429 792 A N 2.377 125.093 122.820 -0.174 0.000 2.340 792 A HA 0.736 5.056 4.320 -0.000 0.000 0.268 792 A C 0.296 177.711 177.584 -0.282 0.000 1.100 792 A CA -0.040 51.883 52.037 -0.190 0.000 0.803 792 A CB 0.620 19.506 19.000 -0.190 0.000 1.043 792 A HN 0.652 nan 8.150 nan 0.000 0.488 793 T N -1.032 113.351 114.554 -0.285 0.000 3.193 793 T HA 0.595 4.945 4.350 -0.000 0.000 0.332 793 T C -0.519 174.069 174.700 -0.187 0.000 1.208 793 T CA 0.452 62.412 62.100 -0.233 0.000 1.080 793 T CB 0.797 69.608 68.868 -0.096 0.000 1.180 793 T HN 2.495 nan 8.240 nan 0.000 0.469 794 G N 1.072 109.762 108.800 -0.183 0.000 2.220 794 G HA2 0.486 4.446 3.960 -0.000 0.000 0.221 794 G HA3 0.486 4.446 3.960 -0.000 0.000 0.221 794 G C 0.765 175.671 174.900 0.009 0.000 2.189 794 G CA 0.518 45.592 45.100 -0.044 0.000 1.153 794 G HN 2.301 nan 8.290 nan 0.000 0.621 795 G N -0.191 108.623 108.800 0.023 0.000 2.157 795 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.239 795 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.239 795 G C 0.494 175.434 174.900 0.066 0.000 0.982 795 G CA 0.148 45.296 45.100 0.081 0.000 0.650 795 G HN 1.304 nan 8.290 nan 0.000 0.527 796 I N 1.874 122.420 120.570 -0.040 0.000 2.471 796 I HA 0.353 4.523 4.170 -0.000 0.000 0.286 796 I C 0.699 176.809 176.117 -0.011 0.000 1.079 796 I CA 0.549 61.819 61.300 -0.050 0.000 1.398 796 I CB 0.950 38.849 38.000 -0.168 0.000 1.403 796 I HN 0.302 nan 8.210 nan 0.000 0.530 797 D N 3.138 123.518 120.400 -0.034 0.000 2.567 797 D HA 0.072 4.711 4.640 -0.000 0.000 0.268 797 D C -0.386 175.893 176.300 -0.035 0.000 1.448 797 D CA -0.085 53.929 54.000 0.023 0.000 0.811 797 D CB 0.229 41.097 40.800 0.115 0.000 1.192 797 D HN 0.467 nan 8.370 nan 0.000 0.488 798 S N -1.675 113.864 115.700 -0.268 0.000 2.578 798 S HA 0.609 5.079 4.470 -0.000 0.000 0.272 798 S C 0.871 175.361 174.600 -0.184 0.000 1.145 798 S CA -0.411 57.690 58.200 -0.165 0.000 0.835 798 S CB 1.201 64.420 63.200 0.032 0.000 1.104 798 S HN 0.132 nan 8.310 nan 0.000 0.458 799 A N 1.085 123.874 122.820 -0.051 0.000 1.908 799 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 799 A C 1.956 179.599 177.584 0.099 0.000 1.181 799 A CA 1.988 54.078 52.037 0.090 0.000 0.627 799 A CB -0.988 18.081 19.000 0.114 0.000 0.818 799 A HN 0.945 nan 8.150 nan 0.000 0.445 800 E N 0.746 120.983 120.200 0.060 0.000 2.051 800 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 800 E C 2.259 178.901 176.600 0.070 0.000 0.991 800 E CA 2.041 58.477 56.400 0.060 0.000 0.799 800 E CB -0.255 29.474 29.700 0.047 0.000 0.748 800 E HN 0.694 nan 8.360 nan 0.000 0.449 801 S N -0.017 115.729 115.700 0.076 0.000 2.368 801 S HA -0.088 4.382 4.470 -0.000 0.000 0.225 801 S C 2.284 177.005 174.600 0.201 0.000 1.030 801 S CA 1.269 59.545 58.200 0.128 0.000 0.999 801 S CB -1.118 62.159 63.200 0.129 0.000 0.844 801 S HN 0.392 nan 8.310 nan 0.000 0.459 802 G N 1.866 110.750 108.800 0.139 0.000 2.442 802 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.219 802 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.219 802 G C 1.376 176.317 174.900 0.068 0.000 1.141 802 G CA 1.014 46.186 45.100 0.119 0.000 0.763 802 G HN 0.482 nan 8.290 nan 0.000 0.554 803 L N 0.421 121.662 121.223 0.028 0.000 2.083 803 L HA -0.022 4.318 4.340 -0.000 0.000 0.209 803 L C 2.786 179.585 176.870 -0.119 0.000 1.083 803 L CA 1.875 56.649 54.840 -0.109 0.000 0.752 803 L CB -0.691 41.299 42.059 -0.115 0.000 0.899 803 L HN 0.321 nan 8.230 nan 0.000 0.433 804 Q N -1.389 118.422 119.800 0.018 0.000 2.096 804 Q HA -0.228 4.111 4.340 -0.000 0.000 0.204 804 Q C 2.136 178.094 176.000 -0.069 0.000 0.982 804 Q CA 2.108 57.915 55.803 0.007 0.000 0.850 804 Q CB -0.261 28.455 28.738 -0.036 0.000 0.901 804 Q HN 0.515 nan 8.270 nan 0.000 0.422 805 F N 0.087 120.018 119.950 -0.031 0.000 2.259 805 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 805 F C 1.925 177.688 175.800 -0.062 0.000 1.088 805 F CA 0.740 58.715 58.000 -0.041 0.000 1.358 805 F CB -0.044 38.917 39.000 -0.064 0.000 1.040 805 F HN 0.024 nan 8.300 nan 0.000 0.505 806 L N -1.045 120.207 121.223 0.049 0.000 2.027 806 L HA -0.241 4.099 4.340 -0.000 0.000 0.206 806 L C 2.205 179.089 176.870 0.023 0.000 1.074 806 L CA 1.570 56.387 54.840 -0.038 0.000 0.745 806 L CB -0.937 41.034 42.059 -0.147 0.000 0.898 806 L HN 0.201 nan 8.230 nan 0.000 0.433 807 H N -1.224 117.845 119.070 -0.003 0.000 2.518 807 H HA -0.081 4.475 4.556 -0.000 0.000 0.289 807 H C 1.820 177.138 175.328 -0.016 0.000 1.051 807 H CA 0.674 56.720 56.048 -0.003 0.000 1.280 807 H CB 0.298 30.062 29.762 0.004 0.000 1.380 807 H HN 0.230 nan 8.280 nan 0.000 0.566 808 S N -1.041 114.704 115.700 0.074 0.000 2.577 808 S HA 0.174 4.644 4.470 -0.000 0.000 0.219 808 S C 1.519 176.129 174.600 0.017 0.000 0.962 808 S CA 0.501 58.704 58.200 0.004 0.000 0.921 808 S CB 1.016 64.149 63.200 -0.112 0.000 0.789 808 S HN 0.756 nan 8.310 nan 0.000 0.497 809 G N 1.063 109.881 108.800 0.030 0.000 2.201 809 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.212 809 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.212 809 G C 0.179 175.073 174.900 -0.011 0.000 0.994 809 G CA -0.273 44.835 45.100 0.013 0.000 0.644 809 G HN 0.766 nan 8.290 nan 0.000 0.508 810 A N 0.304 123.126 122.820 0.004 0.000 2.351 810 A HA 0.803 5.122 4.320 -0.000 0.000 0.257 810 A C 1.320 178.836 177.584 -0.115 0.000 1.087 810 A CA 1.125 53.135 52.037 -0.045 0.000 0.798 810 A CB 0.869 19.888 19.000 0.031 0.000 1.033 810 A HN 0.803 nan 8.150 nan 0.000 0.488 811 S N -0.708 114.868 115.700 -0.208 0.000 2.502 811 S HA 0.231 4.701 4.470 -0.000 0.000 0.228 811 S C 0.618 174.993 174.600 -0.374 0.000 1.061 811 S CA 0.714 58.757 58.200 -0.262 0.000 0.935 811 S CB 0.062 63.088 63.200 -0.290 0.000 0.809 811 S HN 1.277 nan 8.310 nan 0.000 0.510 812 V N 0.026 119.671 119.914 -0.448 0.000 2.962 812 V HA 0.724 4.844 4.120 -0.000 0.000 0.313 812 V C -1.498 174.426 176.094 -0.283 0.000 1.099 812 V CA -1.225 60.773 62.300 -0.503 0.000 0.971 812 V CB 1.663 32.891 31.823 -0.991 0.000 1.028 812 V HN 0.185 nan 8.190 nan 0.000 0.430 813 L N 2.358 123.487 121.223 -0.158 0.000 2.349 813 L HA 0.617 4.957 4.340 -0.000 0.000 0.278 813 L C -0.121 176.791 176.870 0.069 0.000 0.996 813 L CA -0.461 54.301 54.840 -0.130 0.000 0.825 813 L CB 1.575 43.462 42.059 -0.286 0.000 1.243 813 L HN 0.698 nan 8.230 nan 0.000 0.412 814 Q N 2.118 121.935 119.800 0.028 0.000 2.259 814 Q HA 0.643 4.983 4.340 -0.000 0.000 0.249 814 Q C -0.905 175.106 176.000 0.019 0.000 0.914 814 Q CA -0.557 55.274 55.803 0.047 0.000 0.904 814 Q CB 2.841 31.604 28.738 0.041 0.000 1.213 814 Q HN 0.428 nan 8.270 nan 0.000 0.428 815 V N 1.127 121.081 119.914 0.067 0.000 2.823 815 V HA 0.381 4.501 4.120 -0.000 0.000 0.312 815 V C -0.196 175.914 176.094 0.026 0.000 1.072 815 V CA -0.550 61.822 62.300 0.119 0.000 0.937 815 V CB 1.724 33.792 31.823 0.408 0.000 1.013 815 V HN 1.129 nan 8.190 nan 0.000 0.430 816 C N 1.787 121.106 119.300 0.033 0.000 3.235 816 C HA 0.096 4.556 4.460 -0.000 0.000 0.222 816 C C 2.568 177.541 174.990 -0.028 0.000 2.525 816 C CA 1.234 60.236 59.018 -0.025 0.000 1.216 816 C CB 0.432 28.143 27.740 -0.049 0.000 1.314 816 C HN 0.807 nan 8.230 nan 0.000 0.705 817 S N 1.825 117.517 115.700 -0.014 0.000 2.387 817 S HA -0.126 4.344 4.470 -0.000 0.000 0.230 817 S C 1.965 176.625 174.600 0.101 0.000 1.035 817 S CA 1.907 60.105 58.200 -0.004 0.000 1.014 817 S CB -0.648 62.670 63.200 0.196 0.000 0.836 817 S HN 0.936 nan 8.310 nan 0.000 0.466 818 A N 0.673 123.583 122.820 0.150 0.000 1.972 818 A HA -0.027 4.292 4.320 -0.000 0.000 0.219 818 A C 2.199 179.892 177.584 0.180 0.000 1.169 818 A CA 1.398 53.559 52.037 0.206 0.000 0.635 818 A CB -0.524 18.644 19.000 0.280 0.000 0.810 818 A HN 0.392 nan 8.150 nan 0.000 0.446 819 V N -0.669 119.325 119.914 0.132 0.000 3.052 819 V HA -0.146 3.974 4.120 -0.000 0.000 0.254 819 V C 2.319 178.379 176.094 -0.056 0.000 1.100 819 V CA 1.462 63.803 62.300 0.068 0.000 1.112 819 V CB -0.548 31.317 31.823 0.069 0.000 0.738 819 V HN 0.599 nan 8.190 nan 0.000 0.469 820 Q N -0.054 119.687 119.800 -0.099 0.000 2.245 820 Q HA -0.067 4.272 4.340 -0.000 0.000 0.201 820 Q C 1.756 177.728 176.000 -0.048 0.000 0.955 820 Q CA 0.849 56.531 55.803 -0.201 0.000 0.870 820 Q CB -0.047 28.371 28.738 -0.533 0.000 0.945 820 Q HN 0.541 nan 8.270 nan 0.000 0.461 821 N N -0.488 118.262 118.700 0.084 0.000 2.412 821 N HA -0.041 4.699 4.740 -0.000 0.000 0.184 821 N C 0.768 176.333 175.510 0.091 0.000 1.101 821 N CA 0.595 53.755 53.050 0.185 0.000 0.881 821 N CB 0.668 39.301 38.487 0.243 0.000 0.969 821 N HN 0.149 nan 8.380 nan 0.000 0.459 822 Q N 0.104 119.928 119.800 0.040 0.000 2.012 822 Q HA 0.195 4.535 4.340 -0.000 0.000 0.206 822 Q C -1.551 174.417 176.000 -0.053 0.000 0.627 822 Q CA 0.148 55.956 55.803 0.009 0.000 0.597 822 Q CB 0.541 29.301 28.738 0.037 0.000 2.100 822 Q HN 0.228 nan 8.270 nan 0.000 0.196 823 D N -2.265 118.104 120.400 -0.052 0.000 2.764 823 D HA 0.192 4.832 4.640 -0.000 0.000 0.293 823 D C -0.197 176.110 176.300 0.012 0.000 1.287 823 D CA -0.594 53.316 54.000 -0.149 0.000 0.768 823 D CB -0.574 40.138 40.800 -0.146 0.000 1.288 823 D HN 0.237 nan 8.370 nan 0.000 0.426 824 F N -0.268 119.737 119.950 0.092 0.000 2.225 824 F HA -0.193 4.334 4.527 -0.000 0.000 0.302 824 F C 2.636 178.606 175.800 0.283 0.000 1.068 824 F CA 1.318 59.476 58.000 0.264 0.000 1.327 824 F CB -0.266 38.839 39.000 0.175 0.000 1.043 824 F HN 0.594 nan 8.300 nan 0.000 0.506 825 T N -1.915 112.782 114.554 0.239 0.000 2.977 825 T HA -0.130 4.219 4.350 -0.000 0.000 0.271 825 T C 1.832 176.455 174.700 -0.129 0.000 1.105 825 T CA 0.987 63.122 62.100 0.059 0.000 1.116 825 T CB -1.181 67.695 68.868 0.012 0.000 0.878 825 T HN 0.300 nan 8.240 nan 0.000 0.509 826 V N -0.458 119.354 119.914 -0.171 0.000 2.828 826 V HA -0.065 4.055 4.120 -0.000 0.000 0.260 826 V C 2.271 177.717 176.094 -1.079 0.000 1.101 826 V CA 1.186 63.152 62.300 -0.556 0.000 1.123 826 V CB -1.444 30.057 31.823 -0.538 0.000 0.704 826 V HN 0.449 nan 8.190 nan 0.000 0.493 827 I N 0.970 121.044 120.570 -0.827 0.000 2.208 827 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 827 I C 2.507 178.216 176.117 -0.679 0.000 1.097 827 I CA 2.210 62.856 61.300 -1.090 0.000 1.363 827 I CB -0.745 36.494 38.000 -1.268 0.000 1.051 827 I HN 0.486 nan 8.210 nan 0.000 0.413 828 Q N 0.388 119.929 119.800 -0.431 0.000 2.096 828 Q HA -0.309 4.031 4.340 -0.000 0.000 0.204 828 Q C 1.916 177.757 176.000 -0.265 0.000 0.982 828 Q CA 2.545 58.189 55.803 -0.265 0.000 0.850 828 Q CB -0.522 28.114 28.738 -0.169 0.000 0.901 828 Q HN 0.710 nan 8.270 nan 0.000 0.422 829 D N -1.052 119.144 120.400 -0.340 0.000 2.117 829 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 829 D C 1.848 178.056 176.300 -0.153 0.000 0.982 829 D CA 1.351 55.217 54.000 -0.224 0.000 0.828 829 D CB -0.263 40.405 40.800 -0.220 0.000 0.967 829 D HN 0.446 nan 8.370 nan 0.000 0.464 830 Y N -0.111 119.923 120.300 -0.443 0.000 2.128 830 Y HA -0.248 4.302 4.550 -0.000 0.000 0.284 830 Y C 2.794 178.364 175.900 -0.551 0.000 1.154 830 Y CA 0.552 58.209 58.100 -0.737 0.000 1.149 830 Y CB -0.324 37.196 38.460 -1.567 0.000 0.976 830 Y HN 0.213 nan 8.280 nan 0.000 0.505 831 C N -0.330 118.810 119.300 -0.267 0.000 2.462 831 C HA -0.167 4.293 4.460 -0.000 0.000 0.278 831 C C 2.995 178.009 174.990 0.040 0.000 1.253 831 C CA 1.671 60.666 59.018 -0.039 0.000 1.713 831 C CB -1.348 26.369 27.740 -0.039 0.000 2.049 831 C HN 0.672 nan 8.230 nan 0.000 0.477 832 T N -0.419 114.145 114.554 0.018 0.000 2.881 832 T HA -0.039 4.311 4.350 -0.000 0.000 0.270 832 T C 1.835 176.641 174.700 0.176 0.000 1.068 832 T CA 1.902 64.073 62.100 0.118 0.000 1.131 832 T CB -0.676 68.229 68.868 0.063 0.000 0.871 832 T HN 0.540 nan 8.240 nan 0.000 0.479 833 G N 1.245 110.107 108.800 0.103 0.000 2.394 833 G HA2 0.000 3.960 3.960 -0.000 0.000 0.215 833 G HA3 0.000 3.960 3.960 -0.000 0.000 0.215 833 G C 1.414 176.390 174.900 0.128 0.000 1.165 833 G CA 0.714 45.885 45.100 0.120 0.000 0.784 833 G HN 0.454 nan 8.290 nan 0.000 0.535 834 L N 0.744 122.055 121.223 0.146 0.000 2.093 834 L HA 0.117 4.457 4.340 -0.000 0.000 0.208 834 L C 2.666 179.613 176.870 0.128 0.000 1.085 834 L CA 1.698 56.640 54.840 0.170 0.000 0.755 834 L CB -0.516 41.716 42.059 0.288 0.000 0.904 834 L HN 0.132 nan 8.230 nan 0.000 0.435 835 K N -0.558 119.915 120.400 0.121 0.000 1.991 835 K HA -0.149 4.171 4.320 -0.000 0.000 0.212 835 K C 2.097 178.733 176.600 0.060 0.000 1.049 835 K CA 1.511 57.852 56.287 0.089 0.000 0.932 835 K CB -0.530 32.015 32.500 0.076 0.000 0.717 835 K HN 0.434 nan 8.250 nan 0.000 0.441 836 A N 1.756 124.588 122.820 0.019 0.000 1.892 836 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 836 A C 2.210 179.852 177.584 0.098 0.000 1.188 836 A CA 1.489 53.503 52.037 -0.038 0.000 0.631 836 A CB -0.839 18.177 19.000 0.026 0.000 0.822 836 A HN 0.190 nan 8.150 nan 0.000 0.447 837 L N -0.760 120.529 121.223 0.110 0.000 1.970 837 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 837 L C 2.677 179.611 176.870 0.107 0.000 1.071 837 L CA 1.655 56.565 54.840 0.115 0.000 0.751 837 L CB -0.566 41.551 42.059 0.098 0.000 0.889 837 L HN 0.416 nan 8.230 nan 0.000 0.432 838 L N -1.811 119.470 121.223 0.096 0.000 2.046 838 L HA -0.272 4.068 4.340 -0.000 0.000 0.208 838 L C 2.598 179.513 176.870 0.076 0.000 1.077 838 L CA 1.339 56.225 54.840 0.076 0.000 0.747 838 L CB -0.766 41.333 42.059 0.066 0.000 0.896 838 L HN 0.254 nan 8.230 nan 0.000 0.432 839 Y N 1.029 121.317 120.300 -0.020 0.000 2.128 839 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 839 Y C 2.364 178.240 175.900 -0.040 0.000 1.154 839 Y CA 1.561 59.636 58.100 -0.041 0.000 1.149 839 Y CB -0.161 38.247 38.460 -0.087 0.000 0.976 839 Y HN 0.005 nan 8.280 nan 0.000 0.505 840 L N 0.354 121.667 121.223 0.151 0.000 2.275 840 L HA -0.194 4.146 4.340 -0.000 0.000 0.215 840 L C 2.055 178.886 176.870 -0.064 0.000 1.119 840 L CA 1.192 56.057 54.840 0.041 0.000 0.790 840 L CB -0.459 41.661 42.059 0.102 0.000 0.919 840 L HN 0.179 nan 8.230 nan 0.000 0.443 841 K N -0.187 120.187 120.400 -0.042 0.000 2.515 841 K HA -0.069 4.251 4.320 -0.000 0.000 0.196 841 K C 1.939 178.479 176.600 -0.100 0.000 1.038 841 K CA 1.250 57.513 56.287 -0.040 0.000 0.967 841 K CB -0.013 32.489 32.500 0.005 0.000 0.780 841 K HN 0.369 nan 8.250 nan 0.000 0.483 842 S N -0.136 115.450 115.700 -0.189 0.000 2.523 842 S HA 0.136 4.606 4.470 -0.000 0.000 0.217 842 S C 0.568 175.024 174.600 -0.239 0.000 0.996 842 S CA -0.468 57.600 58.200 -0.221 0.000 0.921 842 S CB 0.230 63.250 63.200 -0.301 0.000 0.829 842 S HN -0.056 nan 8.310 nan 0.000 0.495 843 I N 2.956 123.382 120.570 -0.240 0.000 2.312 843 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 843 I C 1.372 177.363 176.117 -0.210 0.000 1.031 843 I CA -0.229 60.941 61.300 -0.216 0.000 1.293 843 I CB 0.852 38.755 38.000 -0.161 0.000 1.403 843 I HN 0.382 nan 8.210 nan 0.000 0.484 844 E N 5.341 125.407 120.200 -0.224 0.000 2.072 844 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 844 E C 1.215 177.667 176.600 -0.246 0.000 0.982 844 E CA 0.906 57.184 56.400 -0.203 0.000 0.803 844 E CB 0.436 30.028 29.700 -0.180 0.000 0.755 844 E HN 0.614 nan 8.360 nan 0.000 0.453 845 E N 0.315 120.278 120.200 -0.395 0.000 2.516 845 E HA -0.127 4.223 4.350 -0.000 0.000 0.199 845 E C 0.997 177.408 176.600 -0.315 0.000 1.069 845 E CA 0.464 56.601 56.400 -0.438 0.000 0.876 845 E CB 0.038 29.198 29.700 -0.900 0.000 0.843 845 E HN 0.376 nan 8.360 nan 0.000 0.530 846 L N 1.063 122.097 121.223 -0.315 0.000 3.209 846 L HA 0.212 4.552 4.340 -0.000 0.000 0.279 846 L C 1.451 178.183 176.870 -0.231 0.000 1.301 846 L CA -0.106 54.468 54.840 -0.444 0.000 1.004 846 L CB 0.362 42.000 42.059 -0.702 0.000 1.402 846 L HN -0.095 nan 8.230 nan 0.000 0.577 847 Q N -0.033 119.716 119.800 -0.085 0.000 2.424 847 Q HA 0.038 4.378 4.340 -0.000 0.000 0.204 847 Q C 2.014 178.077 176.000 0.105 0.000 0.933 847 Q CA 0.794 56.599 55.803 0.004 0.000 0.929 847 Q CB 0.413 29.141 28.738 -0.017 0.000 1.037 847 Q HN 0.647 nan 8.270 nan 0.000 0.511 848 G N -0.185 108.723 108.800 0.180 0.000 2.650 848 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.214 848 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.214 848 G C -0.199 174.915 174.900 0.358 0.000 1.136 848 G CA -0.273 44.972 45.100 0.242 0.000 0.789 848 G HN 0.095 nan 8.290 nan 0.000 0.536 849 W N 0.243 121.574 121.300 0.051 0.000 2.215 849 W HA 0.486 5.146 4.660 -0.000 0.000 0.342 849 W C -0.424 176.135 176.519 0.066 0.000 1.237 849 W CA -1.446 55.941 57.345 0.070 0.000 1.283 849 W CB 0.656 30.170 29.460 0.090 0.000 1.131 849 W HN -0.059 nan 8.180 nan 0.000 0.606 850 D N 0.561 121.131 120.400 0.284 0.000 2.477 850 D HA 0.423 5.063 4.640 -0.000 0.000 0.239 850 D C 0.799 177.232 176.300 0.222 0.000 1.102 850 D CA 0.702 54.816 54.000 0.191 0.000 0.901 850 D CB -0.001 40.869 40.800 0.117 0.000 1.026 850 D HN 0.549 nan 8.370 nan 0.000 0.515 851 G N 3.728 112.671 108.800 0.239 0.000 2.543 851 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.286 851 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.286 851 G C 0.694 175.807 174.900 0.354 0.000 1.153 851 G CA 0.310 45.548 45.100 0.230 0.000 0.968 851 G HN 0.525 nan 8.290 nan 0.000 0.544 852 Q N 0.476 120.470 119.800 0.324 0.000 2.280 852 Q HA 0.360 4.700 4.340 -0.000 0.000 0.201 852 Q C 0.407 176.707 176.000 0.501 0.000 0.890 852 Q CA 0.427 56.522 55.803 0.487 0.000 0.947 852 Q CB 0.555 29.485 28.738 0.320 0.000 1.081 852 Q HN 0.312 nan 8.270 nan 0.000 0.502 853 S N 2.669 118.560 115.700 0.319 0.000 2.430 853 S HA 0.290 4.760 4.470 -0.000 0.000 0.289 853 S C -2.256 172.128 174.600 -0.359 0.000 1.143 853 S CA -1.096 57.167 58.200 0.106 0.000 1.067 853 S CB 0.917 64.215 63.200 0.163 0.000 0.964 853 S HN 0.037 nan 8.310 nan 0.000 0.485 854 P HA 0.153 nan 4.420 nan 0.000 0.272 854 P C 0.260 177.176 177.300 -0.640 0.000 1.254 854 P CA -0.270 61.820 63.100 -1.683 0.000 0.795 854 P CB 0.365 31.232 31.700 -1.389 0.000 1.022 855 G N -0.173 108.381 108.800 -0.410 0.000 2.380 855 G HA2 0.214 4.174 3.960 -0.000 0.000 0.262 855 G HA3 0.214 4.174 3.960 -0.000 0.000 0.262 855 G C -0.309 174.531 174.900 -0.100 0.000 1.243 855 G CA -0.070 44.959 45.100 -0.118 0.000 0.865 855 G HN 0.301 nan 8.290 nan 0.000 0.513 856 T N 3.105 117.631 114.554 -0.047 0.000 2.829 856 T HA 0.129 4.479 4.350 -0.000 0.000 0.293 856 T C 0.182 174.901 174.700 0.031 0.000 0.970 856 T CA 0.317 62.410 62.100 -0.011 0.000 1.168 856 T CB 0.560 69.449 68.868 0.034 0.000 0.911 856 T HN 0.465 nan 8.240 nan 0.000 0.535 857 E N 2.349 122.574 120.200 0.042 0.000 2.191 857 E HA 0.247 4.597 4.350 -0.000 0.000 0.278 857 E C -0.086 176.606 176.600 0.153 0.000 0.972 857 E CA -0.541 55.902 56.400 0.071 0.000 0.804 857 E CB 1.386 31.113 29.700 0.044 0.000 1.110 857 E HN 0.466 nan 8.360 nan 0.000 0.394 858 S N 3.631 119.395 115.700 0.107 0.000 2.737 858 S HA -0.025 4.445 4.470 -0.000 0.000 0.315 858 S C 0.225 174.900 174.600 0.126 0.000 1.236 858 S CA 0.388 58.638 58.200 0.084 0.000 1.093 858 S CB -0.437 62.784 63.200 0.036 0.000 0.832 858 S HN 0.468 nan 8.310 nan 0.000 0.507 859 H N 1.570 120.647 119.070 0.011 0.000 2.977 859 H HA 0.548 5.104 4.556 -0.000 0.000 0.350 859 H C -1.380 173.956 175.328 0.014 0.000 1.238 859 H CA -1.167 54.889 56.048 0.013 0.000 1.124 859 H CB 1.172 30.941 29.762 0.011 0.000 1.866 859 H HN 0.381 nan 8.280 nan 0.000 0.550 860 Q N 1.089 120.881 119.800 -0.014 0.000 2.275 860 Q HA 0.221 4.561 4.340 -0.000 0.000 0.266 860 Q C -0.630 175.421 176.000 0.084 0.000 1.002 860 Q CA -0.489 55.284 55.803 -0.049 0.000 0.761 860 Q CB 2.130 30.853 28.738 -0.024 0.000 1.255 860 Q HN 0.866 nan 8.270 nan 0.000 0.446 861 K N 1.061 121.525 120.400 0.107 0.000 3.192 861 K HA -0.297 4.023 4.320 -0.000 0.000 0.278 861 K C 0.726 177.423 176.600 0.161 0.000 1.164 861 K CA 0.672 57.026 56.287 0.113 0.000 0.816 861 K CB -1.382 31.152 32.500 0.057 0.000 1.256 861 K HN 1.136 nan 8.250 nan 0.000 0.497 862 G N -0.299 108.707 108.800 0.343 0.000 2.320 862 G HA2 -0.375 3.584 3.960 -0.000 0.000 0.242 862 G HA3 -0.375 3.584 3.960 -0.000 0.000 0.242 862 G C -0.007 174.940 174.900 0.079 0.000 1.033 862 G CA 0.767 45.931 45.100 0.106 0.000 0.620 862 G HN 0.325 nan 8.290 nan 0.000 0.517 863 K N 2.626 123.107 120.400 0.135 0.000 2.174 863 K HA 0.475 4.795 4.320 -0.000 0.000 0.275 863 K C -2.156 174.528 176.600 0.140 0.000 1.015 863 K CA -1.579 54.770 56.287 0.105 0.000 0.933 863 K CB 1.394 33.948 32.500 0.089 0.000 1.025 863 K HN 0.181 nan 8.250 nan 0.000 0.463 864 P HA -0.070 nan 4.420 nan 0.000 0.269 864 P C -0.372 176.980 177.300 0.086 0.000 1.217 864 P CA -0.203 62.963 63.100 0.110 0.000 0.783 864 P CB 0.517 32.260 31.700 0.072 0.000 0.898 865 V N 4.212 124.169 119.914 0.072 0.000 2.406 865 V HA 0.163 4.283 4.120 -0.000 0.000 0.272 865 V C -1.802 174.315 176.094 0.038 0.000 1.043 865 V CA -1.467 60.858 62.300 0.043 0.000 0.915 865 V CB 0.301 32.139 31.823 0.024 0.000 0.988 865 V HN 0.555 nan 8.190 nan 0.000 0.466 866 P HA 0.098 nan 4.420 nan 0.000 0.261 866 P C 0.072 177.388 177.300 0.027 0.000 1.183 866 P CA 0.158 63.278 63.100 0.033 0.000 0.761 866 P CB 0.217 31.935 31.700 0.029 0.000 0.785 867 R N 3.193 123.711 120.500 0.029 0.000 4.263 867 R HA 0.220 4.560 4.340 -0.000 0.000 0.248 867 R C 0.261 176.574 176.300 0.022 0.000 1.796 867 R CA -0.236 55.879 56.100 0.025 0.000 1.518 867 R CB -0.530 29.787 30.300 0.028 0.000 1.342 867 R HN 0.502 nan 8.270 nan 0.000 0.706 868 I N 0.323 120.905 120.570 0.019 0.000 2.474 868 I HA 0.038 4.208 4.170 -0.000 0.000 0.287 868 I C 1.547 177.671 176.117 0.012 0.000 1.048 868 I CA -0.119 61.191 61.300 0.017 0.000 1.383 868 I CB 1.527 39.537 38.000 0.015 0.000 1.412 868 I HN 0.279 nan 8.210 nan 0.000 0.531 869 A N 4.517 127.344 122.820 0.012 0.000 1.902 869 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 869 A C 1.860 179.448 177.584 0.006 0.000 1.181 869 A CA 1.328 53.371 52.037 0.009 0.000 0.623 869 A CB -0.434 18.572 19.000 0.009 0.000 0.818 869 A HN 0.801 nan 8.150 nan 0.000 0.443 870 E N -0.426 119.777 120.200 0.005 0.000 2.515 870 E HA 0.022 4.371 4.350 -0.000 0.000 0.201 870 E C 1.427 178.026 176.600 -0.000 0.000 1.071 870 E CA 0.425 56.827 56.400 0.002 0.000 0.880 870 E CB -0.107 29.594 29.700 0.002 0.000 0.828 870 E HN 0.673 nan 8.360 nan 0.000 0.540 871 L N -0.930 120.294 121.223 0.000 0.000 2.547 871 L HA 0.179 4.519 4.340 -0.000 0.000 0.218 871 L C 0.269 177.135 176.870 -0.006 0.000 1.048 871 L CA -0.268 54.570 54.840 -0.003 0.000 0.859 871 L CB 0.047 42.105 42.059 -0.002 0.000 1.128 871 L HN 0.166 nan 8.230 nan 0.000 0.483 872 M N 0.945 120.544 119.600 -0.001 0.000 2.251 872 M HA 0.119 4.599 4.480 -0.000 0.000 0.343 872 M C 1.211 177.508 176.300 -0.004 0.000 1.245 872 M CA 0.359 55.658 55.300 -0.001 0.000 1.061 872 M CB -1.061 31.541 32.600 0.004 0.000 1.723 872 M HN 0.298 nan 8.290 nan 0.000 0.449 873 G N 3.534 112.330 108.800 -0.007 0.000 2.371 873 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.299 873 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.299 873 G C 0.685 175.579 174.900 -0.010 0.000 1.014 873 G CA 0.178 45.274 45.100 -0.007 0.000 1.097 873 G HN 0.703 nan 8.290 nan 0.000 0.512 874 K N -0.244 120.146 120.400 -0.016 0.000 2.440 874 K HA 0.140 4.460 4.320 -0.000 0.000 0.207 874 K C 1.154 177.739 176.600 -0.025 0.000 1.112 874 K CA 0.215 56.494 56.287 -0.014 0.000 1.036 874 K CB 0.459 32.953 32.500 -0.009 0.000 0.935 874 K HN 0.620 nan 8.250 nan 0.000 0.564 875 K N 1.453 121.825 120.400 -0.047 0.000 3.393 875 K HA -0.154 4.166 4.320 -0.000 0.000 0.272 875 K C -0.654 175.855 176.600 -0.152 0.000 1.004 875 K CA 0.437 56.669 56.287 -0.092 0.000 0.764 875 K CB -1.974 30.480 32.500 -0.078 0.000 1.373 875 K HN 0.165 nan 8.250 nan 0.000 0.458 876 L N 1.894 123.037 121.223 -0.134 0.000 2.335 876 L HA 0.309 4.649 4.340 -0.000 0.000 0.268 876 L C -1.558 175.165 176.870 -0.245 0.000 1.037 876 L CA -1.839 52.914 54.840 -0.145 0.000 0.895 876 L CB 0.804 42.845 42.059 -0.030 0.000 1.266 876 L HN 0.003 nan 8.230 nan 0.000 0.439 877 P HA 0.032 nan 4.420 nan 0.000 0.272 877 P C -0.621 176.457 177.300 -0.370 0.000 1.240 877 P CA -0.426 62.414 63.100 -0.434 0.000 0.791 877 P CB 0.880 32.193 31.700 -0.645 0.000 0.978 878 N N 1.199 119.830 118.700 -0.114 0.000 3.111 878 N HA 0.154 4.894 4.740 -0.000 0.000 0.302 878 N C -0.419 175.168 175.510 0.128 0.000 1.317 878 N CA 0.276 53.321 53.050 -0.008 0.000 1.151 878 N CB -0.782 37.730 38.487 0.041 0.000 1.456 878 N HN 0.398 nan 8.380 nan 0.000 0.547 879 F N -2.929 117.042 119.950 0.034 0.000 2.713 879 F HA 0.610 5.137 4.527 -0.000 0.000 0.311 879 F C 0.577 176.374 175.800 -0.004 0.000 1.141 879 F CA -0.756 57.258 58.000 0.024 0.000 0.939 879 F CB 0.425 39.456 39.000 0.050 0.000 1.325 879 F HN 0.114 nan 8.300 nan 0.000 0.453 880 G N 1.312 110.252 108.800 0.233 0.000 2.578 880 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.284 880 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.284 880 G C -1.522 173.264 174.900 -0.191 0.000 1.283 880 G CA 0.031 45.114 45.100 -0.029 0.000 0.944 880 G HN 0.828 nan 8.290 nan 0.000 0.558 881 P HA -0.191 nan 4.420 nan 0.000 0.218 881 P C 1.322 178.371 177.300 -0.418 0.000 1.146 881 P CA 2.481 65.343 63.100 -0.397 0.000 0.813 881 P CB -0.184 31.217 31.700 -0.499 0.000 0.778 882 Y N -0.275 119.835 120.300 -0.316 0.000 2.181 882 Y HA -0.122 4.427 4.550 -0.000 0.000 0.288 882 Y C 2.659 178.418 175.900 -0.236 0.000 1.146 882 Y CA 0.490 58.399 58.100 -0.318 0.000 1.164 882 Y CB -1.339 36.808 38.460 -0.521 0.000 0.982 882 Y HN -0.108 nan 8.280 nan 0.000 0.515 883 L N 0.509 121.687 121.223 -0.076 0.000 2.093 883 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 883 L C 2.087 178.931 176.870 -0.043 0.000 1.085 883 L CA 1.703 56.514 54.840 -0.048 0.000 0.755 883 L CB -0.667 41.380 42.059 -0.020 0.000 0.904 883 L HN 0.199 nan 8.230 nan 0.000 0.435 884 E N -0.943 119.219 120.200 -0.064 0.000 2.077 884 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 884 E C 2.128 178.702 176.600 -0.044 0.000 0.989 884 E CA 1.551 57.923 56.400 -0.047 0.000 0.800 884 E CB -0.034 29.629 29.700 -0.062 0.000 0.746 884 E HN 0.660 nan 8.360 nan 0.000 0.452 885 Q N -0.096 119.665 119.800 -0.064 0.000 2.084 885 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 885 Q C 2.266 178.249 176.000 -0.029 0.000 0.978 885 Q CA 1.057 56.831 55.803 -0.049 0.000 0.844 885 Q CB -0.068 28.637 28.738 -0.056 0.000 0.898 885 Q HN 0.174 nan 8.270 nan 0.000 0.426 886 R N 0.866 121.350 120.500 -0.027 0.000 2.083 886 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 886 R C 2.232 178.525 176.300 -0.012 0.000 1.137 886 R CA 1.463 57.552 56.100 -0.018 0.000 0.951 886 R CB -0.181 30.106 30.300 -0.021 0.000 0.851 886 R HN 0.166 nan 8.270 nan 0.000 0.434 887 K N 0.668 121.061 120.400 -0.012 0.000 2.063 887 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 887 K C 2.144 178.741 176.600 -0.005 0.000 1.048 887 K CA 1.380 57.663 56.287 -0.007 0.000 0.928 887 K CB -0.109 32.389 32.500 -0.004 0.000 0.713 887 K HN 0.092 nan 8.250 nan 0.000 0.442 888 K N 1.445 121.841 120.400 -0.007 0.000 2.002 888 K HA -0.133 4.187 4.320 -0.000 0.000 0.209 888 K C 2.044 178.641 176.600 -0.005 0.000 1.048 888 K CA 1.386 57.669 56.287 -0.006 0.000 0.930 888 K CB -0.125 32.367 32.500 -0.013 0.000 0.714 888 K HN 0.029 nan 8.250 nan 0.000 0.438 889 I N 1.134 121.700 120.570 -0.007 0.000 2.248 889 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 889 I C 2.216 178.334 176.117 0.002 0.000 1.107 889 I CA 1.299 62.597 61.300 -0.003 0.000 1.373 889 I CB -0.241 37.756 38.000 -0.005 0.000 1.055 889 I HN 0.267 nan 8.210 nan 0.000 0.418 890 I N 0.480 121.051 120.570 0.002 0.000 2.353 890 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 890 I C 2.761 178.883 176.117 0.009 0.000 1.119 890 I CA 1.121 62.425 61.300 0.008 0.000 1.417 890 I CB -0.424 37.580 38.000 0.006 0.000 1.078 890 I HN 0.154 nan 8.210 nan 0.000 0.421 891 A N 0.249 123.071 122.820 0.003 0.000 1.930 891 A HA -0.219 4.100 4.320 -0.000 0.000 0.217 891 A C 2.256 179.845 177.584 0.008 0.000 1.175 891 A CA 1.533 53.571 52.037 0.002 0.000 0.627 891 A CB -0.518 18.480 19.000 -0.003 0.000 0.815 891 A HN 0.407 nan 8.150 nan 0.000 0.443 892 E N -0.600 119.604 120.200 0.007 0.000 2.077 892 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 892 E C 1.993 178.603 176.600 0.016 0.000 0.989 892 E CA 1.413 57.818 56.400 0.009 0.000 0.800 892 E CB -0.045 29.658 29.700 0.005 0.000 0.746 892 E HN 0.652 nan 8.360 nan 0.000 0.452 893 E N 0.721 120.932 120.200 0.018 0.000 2.110 893 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 893 E C 1.703 178.323 176.600 0.035 0.000 0.988 893 E CA 1.294 57.709 56.400 0.024 0.000 0.804 893 E CB 0.095 29.810 29.700 0.024 0.000 0.745 893 E HN -0.010 nan 8.360 nan 0.000 0.458 894 K N -0.149 120.273 120.400 0.037 0.000 2.057 894 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 894 K C 1.970 178.603 176.600 0.055 0.000 1.049 894 K CA 1.152 57.471 56.287 0.053 0.000 0.931 894 K CB -0.301 32.227 32.500 0.046 0.000 0.714 894 K HN 0.308 nan 8.250 nan 0.000 0.440 895 M N 0.340 119.964 119.600 0.040 0.000 2.175 895 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 895 M C 2.186 178.510 176.300 0.039 0.000 1.063 895 M CA 1.286 56.609 55.300 0.039 0.000 1.119 895 M CB -0.884 31.733 32.600 0.027 0.000 1.377 895 M HN 0.152 nan 8.290 nan 0.000 0.415 896 R N 0.744 121.264 120.500 0.033 0.000 2.081 896 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 896 R C 2.030 178.351 176.300 0.036 0.000 1.131 896 R CA 1.261 57.379 56.100 0.030 0.000 0.960 896 R CB -0.318 29.997 30.300 0.024 0.000 0.856 896 R HN 0.336 nan 8.270 nan 0.000 0.436 897 L N 0.802 122.052 121.223 0.045 0.000 2.362 897 L HA -0.088 4.252 4.340 -0.000 0.000 0.219 897 L C 2.601 179.509 176.870 0.065 0.000 1.134 897 L CA 1.120 55.992 54.840 0.054 0.000 0.807 897 L CB -0.324 41.774 42.059 0.065 0.000 0.927 897 L HN 0.290 nan 8.230 nan 0.000 0.447 898 K N 0.655 121.096 120.400 0.069 0.000 2.167 898 K HA -0.135 4.185 4.320 -0.000 0.000 0.203 898 K C 1.667 178.304 176.600 0.060 0.000 1.052 898 K CA 0.965 57.300 56.287 0.080 0.000 0.956 898 K CB 0.189 32.738 32.500 0.080 0.000 0.735 898 K HN 0.325 nan 8.250 nan 0.000 0.451 899 E N 0.315 120.540 120.200 0.042 0.000 2.427 899 E HA -0.093 4.257 4.350 -0.000 0.000 0.196 899 E C 0.690 177.299 176.600 0.015 0.000 1.028 899 E CA 0.174 56.590 56.400 0.027 0.000 0.864 899 E CB 0.339 30.053 29.700 0.022 0.000 0.813 899 E HN 0.322 nan 8.360 nan 0.000 0.514 908 E N 2.793 123.014 120.200 0.035 0.000 2.384 908 E HA 0.113 4.463 4.350 -0.000 0.000 0.266 908 E C -0.262 176.352 176.600 0.023 0.000 1.012 908 E CA -0.131 56.288 56.400 0.031 0.000 0.901 908 E CB 1.393 31.112 29.700 0.032 0.000 0.967 908 E HN 0.353 nan 8.360 nan 0.000 0.435 909 R N 3.000 123.507 120.500 0.012 0.000 2.204 909 R HA 0.166 4.505 4.340 -0.000 0.000 0.341 909 R C -0.446 175.849 176.300 -0.008 0.000 1.035 909 R CA -0.249 55.846 56.100 -0.008 0.000 0.887 909 R CB 0.321 30.613 30.300 -0.014 0.000 1.114 909 R HN 0.303 nan 8.270 nan 0.000 0.473 910 K N 5.165 125.564 120.400 -0.001 0.000 2.259 910 K HA 0.453 4.773 4.320 -0.000 0.000 0.252 910 K C -2.358 174.237 176.600 -0.009 0.000 0.936 910 K CA -1.959 54.340 56.287 0.020 0.000 0.810 910 K CB 2.178 34.721 32.500 0.072 0.000 1.143 910 K HN 0.445 nan 8.250 nan 0.000 0.427 911 P HA 0.135 nan 4.420 nan 0.000 0.274 911 P C -0.804 176.611 177.300 0.192 0.000 1.231 911 P CA -0.148 62.940 63.100 -0.020 0.000 0.790 911 P CB 0.537 32.236 31.700 -0.003 0.000 0.951 912 F N 1.183 121.120 119.950 -0.023 0.000 2.410 912 F HA 0.370 4.897 4.527 -0.000 0.000 0.348 912 F C 1.023 176.816 175.800 -0.012 0.000 1.106 912 F CA -0.985 56.995 58.000 -0.034 0.000 1.163 912 F CB 0.985 39.947 39.000 -0.063 0.000 1.129 912 F HN -0.028 nan 8.300 nan 0.000 0.516 913 I N 4.740 125.389 120.570 0.133 0.000 2.377 913 I HA 0.251 4.421 4.170 -0.000 0.000 0.293 913 I C -2.310 173.781 176.117 -0.043 0.000 0.987 913 I CA -2.374 58.954 61.300 0.046 0.000 1.185 913 I CB 1.704 39.717 38.000 0.022 0.000 1.341 913 I HN 0.252 nan 8.210 nan 0.000 0.455 914 P HA 0.032 nan 4.420 nan 0.000 0.260 914 P C -0.565 176.663 177.300 -0.120 0.000 1.207 914 P CA 0.069 63.061 63.100 -0.179 0.000 0.780 914 P CB 0.139 31.704 31.700 -0.226 0.000 0.789 915 K N 3.558 123.883 120.400 -0.125 0.000 2.827 915 K HA 0.146 4.466 4.320 -0.000 0.000 0.222 915 K C 0.402 176.949 176.600 -0.089 0.000 1.114 915 K CA -0.083 56.146 56.287 -0.096 0.000 1.206 915 K CB 0.039 32.479 32.500 -0.101 0.000 1.035 915 K HN 0.385 nan 8.250 nan 0.000 0.464 916 K N 0.848 121.192 120.400 -0.094 0.000 2.675 916 K HA 0.167 4.487 4.320 -0.000 0.000 0.280 916 K C -3.158 173.392 176.600 -0.082 0.000 0.993 916 K CA -1.207 55.032 56.287 -0.079 0.000 0.863 916 K CB 1.486 33.938 32.500 -0.080 0.000 1.438 916 K HN -0.199 nan 8.250 nan 0.000 0.389 917 P HA 0.130 nan 4.420 nan 0.000 0.271 917 P C -0.011 177.255 177.300 -0.058 0.000 1.216 917 P CA -0.387 62.683 63.100 -0.050 0.000 0.776 917 P CB 0.318 31.999 31.700 -0.031 0.000 0.881 918 I N 5.019 125.554 120.570 -0.057 0.000 2.581 918 I HA 0.062 4.232 4.170 -0.000 0.000 0.285 918 I C -1.141 174.966 176.117 -0.016 0.000 1.129 918 I CA -1.725 59.544 61.300 -0.052 0.000 1.397 918 I CB -0.521 37.465 38.000 -0.024 0.000 1.399 918 I HN 0.294 nan 8.210 nan 0.000 0.537 919 P HA 0.173 nan 4.420 nan 0.000 0.269 919 P C -0.653 176.656 177.300 0.016 0.000 1.217 919 P CA -0.296 62.809 63.100 0.008 0.000 0.783 919 P CB 1.089 32.802 31.700 0.021 0.000 0.898 920 A N 1.633 124.462 122.820 0.015 0.000 2.354 920 A HA 0.444 4.764 4.320 -0.000 0.000 0.321 920 A C 1.606 179.195 177.584 0.008 0.000 1.125 920 A CA -0.790 51.257 52.037 0.016 0.000 0.799 920 A CB 0.472 19.481 19.000 0.014 0.000 1.293 920 A HN 0.400 nan 8.150 nan 0.000 0.452 921 I N 0.810 121.379 120.570 -0.001 0.000 2.113 921 I HA -0.367 3.803 4.170 -0.000 0.000 0.242 921 I C 2.512 178.617 176.117 -0.021 0.000 1.057 921 I CA 2.631 63.916 61.300 -0.025 0.000 1.314 921 I CB -1.266 36.708 38.000 -0.044 0.000 1.022 921 I HN 0.971 nan 8.210 nan 0.000 0.408 922 K N 0.599 120.991 120.400 -0.013 0.000 2.113 922 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 922 K C 1.316 177.919 176.600 0.004 0.000 1.047 922 K CA 1.890 58.171 56.287 -0.009 0.000 0.928 922 K CB -0.505 31.993 32.500 -0.004 0.000 0.716 922 K HN 0.284 nan 8.250 nan 0.000 0.446 923 D N 1.074 121.481 120.400 0.011 0.000 2.378 923 D HA -0.076 4.564 4.640 -0.000 0.000 0.222 923 D C 1.726 178.053 176.300 0.045 0.000 0.980 923 D CA 1.275 55.287 54.000 0.021 0.000 0.907 923 D CB 0.534 41.345 40.800 0.018 0.000 0.899 923 D HN 0.387 nan 8.370 nan 0.000 0.527 924 V N -2.411 117.537 119.914 0.055 0.000 3.604 924 V HA 0.241 4.361 4.120 -0.000 0.000 0.277 924 V C 0.853 177.037 176.094 0.151 0.000 1.399 924 V CA -0.374 62.006 62.300 0.134 0.000 1.034 924 V CB 0.032 31.925 31.823 0.117 0.000 0.824 924 V HN -0.121 nan 8.190 nan 0.000 0.439 925 I N 3.091 123.694 120.570 0.055 0.000 2.752 925 I HA 0.351 4.521 4.170 -0.000 0.000 0.289 925 I C 1.727 177.880 176.117 0.059 0.000 1.197 925 I CA 1.506 62.828 61.300 0.036 0.000 1.432 925 I CB 0.156 38.149 38.000 -0.012 0.000 1.359 925 I HN 0.520 nan 8.210 nan 0.000 0.571 926 G N 5.163 114.006 108.800 0.072 0.000 2.196 926 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.268 926 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.268 926 G C 1.220 176.144 174.900 0.039 0.000 0.975 926 G CA 0.127 45.257 45.100 0.050 0.000 0.648 926 G HN 0.648 nan 8.290 nan 0.000 0.538 927 K N 0.157 120.597 120.400 0.066 0.000 2.360 927 K HA 0.116 4.436 4.320 -0.000 0.000 0.201 927 K C 2.614 179.192 176.600 -0.037 0.000 1.046 927 K CA 1.349 57.632 56.287 -0.007 0.000 0.940 927 K CB -0.378 32.121 32.500 -0.003 0.000 0.748 927 K HN 0.749 nan 8.250 nan 0.000 0.465 928 A N 0.554 123.375 122.820 0.002 0.000 2.123 928 A HA 0.053 4.373 4.320 -0.000 0.000 0.214 928 A C 2.076 179.729 177.584 0.115 0.000 1.152 928 A CA 0.227 52.325 52.037 0.101 0.000 0.728 928 A CB -0.245 18.786 19.000 0.051 0.000 0.814 928 A HN 0.140 nan 8.150 nan 0.000 0.464 929 L N 0.092 121.325 121.223 0.017 0.000 2.131 929 L HA -0.301 4.039 4.340 -0.000 0.000 0.210 929 L C 2.937 179.768 176.870 -0.065 0.000 1.092 929 L CA 1.736 56.570 54.840 -0.009 0.000 0.759 929 L CB -0.637 41.411 42.059 -0.018 0.000 0.903 929 L HN 0.697 nan 8.230 nan 0.000 0.435 930 Q N -0.488 119.200 119.800 -0.187 0.000 2.197 930 Q HA -0.257 4.083 4.340 -0.000 0.000 0.207 930 Q C 1.773 177.584 176.000 -0.315 0.000 0.984 930 Q CA 2.092 57.706 55.803 -0.316 0.000 0.869 930 Q CB -0.738 27.696 28.738 -0.507 0.000 0.906 930 Q HN 0.517 nan 8.270 nan 0.000 0.426 931 Y N 0.763 121.030 120.300 -0.054 0.000 2.516 931 Y HA 0.164 4.714 4.550 -0.000 0.000 0.291 931 Y C 0.779 176.650 175.900 -0.048 0.000 1.131 931 Y CA -0.280 57.788 58.100 -0.054 0.000 1.281 931 Y CB 0.206 38.630 38.460 -0.060 0.000 1.013 931 Y HN 0.019 nan 8.280 nan 0.000 0.554 932 L N 0.210 121.479 121.223 0.077 0.000 2.371 932 L HA 0.510 4.850 4.340 -0.000 0.000 0.272 932 L C 0.695 177.570 176.870 0.010 0.000 1.124 932 L CA 0.022 54.885 54.840 0.039 0.000 0.816 932 L CB 0.896 42.971 42.059 0.026 0.000 1.129 932 L HN 0.212 nan 8.230 nan 0.000 0.448 933 G N 0.377 109.182 108.800 0.009 0.000 2.606 933 G HA2 0.471 4.431 3.960 -0.000 0.000 0.300 933 G HA3 0.471 4.431 3.960 -0.000 0.000 0.300 933 G C -0.721 174.188 174.900 0.014 0.000 1.360 933 G CA -0.076 45.024 45.100 -0.001 0.000 0.783 933 G HN 0.554 nan 8.290 nan 0.000 0.484 934 T N -2.227 112.339 114.554 0.019 0.000 2.729 934 T HA 0.353 4.703 4.350 -0.000 0.000 0.298 934 T C 1.150 175.893 174.700 0.072 0.000 1.013 934 T CA 0.192 62.327 62.100 0.059 0.000 0.957 934 T CB 0.676 69.580 68.868 0.061 0.000 1.130 934 T HN 0.485 nan 8.240 nan 0.000 0.526 935 F N 0.758 120.707 119.950 -0.001 0.000 2.259 935 F HA 0.212 4.739 4.527 -0.000 0.000 0.298 935 F C 2.458 178.258 175.800 0.000 0.000 1.088 935 F CA 1.562 59.562 58.000 0.000 0.000 1.358 935 F CB -0.861 38.140 39.000 0.001 0.000 1.040 935 F HN 0.721 nan 8.300 nan 0.000 0.505 936 G N -0.344 108.522 108.800 0.110 0.000 2.470 936 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 936 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 936 G C 1.348 176.209 174.900 -0.066 0.000 1.121 936 G CA 0.716 45.838 45.100 0.037 0.000 0.766 936 G HN 0.470 nan 8.290 nan 0.000 0.553 937 E N -0.304 119.846 120.200 -0.082 0.000 2.502 937 E HA 0.145 4.495 4.350 -0.000 0.000 0.194 937 E C 0.149 176.667 176.600 -0.138 0.000 1.062 937 E CA -0.257 56.091 56.400 -0.085 0.000 0.867 937 E CB 0.108 29.775 29.700 -0.054 0.000 0.888 937 E HN 0.362 nan 8.360 nan 0.000 0.510 938 L N 1.460 122.529 121.223 -0.256 0.000 2.265 938 L HA 0.166 4.506 4.340 -0.000 0.000 0.288 938 L C 0.459 177.175 176.870 -0.257 0.000 1.058 938 L CA -0.547 54.107 54.840 -0.310 0.000 0.809 938 L CB 1.379 43.097 42.059 -0.568 0.000 1.179 938 L HN -0.098 nan 8.230 nan 0.000 0.429 939 S N 2.308 117.910 115.700 -0.163 0.000 2.465 939 S HA 0.037 4.507 4.470 -0.000 0.000 0.280 939 S C 0.830 175.364 174.600 -0.111 0.000 1.232 939 S CA -0.686 57.447 58.200 -0.111 0.000 1.066 939 S CB -0.014 63.141 63.200 -0.076 0.000 0.929 939 S HN 0.735 nan 8.310 nan 0.000 0.494 940 N N 4.801 123.455 118.700 -0.076 0.000 2.295 940 N HA 0.138 4.878 4.740 -0.000 0.000 0.221 940 N C 0.716 176.217 175.510 -0.015 0.000 1.129 940 N CA -0.035 52.988 53.050 -0.046 0.000 0.836 940 N CB -0.262 38.236 38.487 0.018 0.000 1.040 940 N HN 0.721 nan 8.380 nan 0.000 0.494 941 I N -3.784 116.770 120.570 -0.025 0.000 4.032 941 I HA 0.274 4.444 4.170 -0.000 0.000 0.313 941 I C 0.036 176.135 176.117 -0.029 0.000 1.272 941 I CA -0.146 61.154 61.300 -0.000 0.000 1.307 941 I CB -0.005 37.998 38.000 0.006 0.000 1.155 941 I HN -0.083 nan 8.210 nan 0.000 0.431 942 E N 3.874 124.040 120.200 -0.056 0.000 1.979 942 E HA 0.178 4.528 4.350 -0.000 0.000 0.285 942 E C -0.305 176.232 176.600 -0.105 0.000 1.188 942 E CA -0.248 56.114 56.400 -0.064 0.000 1.214 942 E CB 0.307 29.973 29.700 -0.057 0.000 1.210 942 E HN 0.345 nan 8.360 nan 0.000 0.477 943 Q N 0.748 120.466 119.800 -0.137 0.000 2.260 943 Q HA 0.413 4.753 4.340 -0.000 0.000 0.238 943 Q C 0.216 176.125 176.000 -0.152 0.000 0.948 943 Q CA -0.477 55.188 55.803 -0.230 0.000 0.895 943 Q CB 2.021 30.496 28.738 -0.438 0.000 1.218 943 Q HN 0.302 nan 8.270 nan 0.000 0.470 944 V N -2.242 117.580 119.914 -0.155 0.000 3.141 944 V HA 0.914 5.034 4.120 -0.000 0.000 0.312 944 V C -0.259 175.789 176.094 -0.076 0.000 1.157 944 V CA -0.942 61.304 62.300 -0.090 0.000 1.041 944 V CB 1.813 33.596 31.823 -0.067 0.000 1.071 944 V HN 0.611 nan 8.190 nan 0.000 0.441 945 V N -2.156 117.735 119.914 -0.037 0.000 3.159 945 V HA 1.033 5.153 4.120 -0.000 0.000 0.308 945 V C 0.060 176.153 176.094 -0.000 0.000 1.190 945 V CA -0.497 61.794 62.300 -0.015 0.000 1.037 945 V CB 1.273 33.096 31.823 0.000 0.000 1.060 945 V HN 2.030 nan 8.190 nan 0.000 0.437 946 A N 1.077 123.906 122.820 0.014 0.000 2.327 946 A HA 0.826 5.146 4.320 -0.000 0.000 0.283 946 A C -0.400 177.198 177.584 0.024 0.000 1.127 946 A CA -0.447 51.602 52.037 0.020 0.000 0.810 946 A CB 1.328 20.346 19.000 0.031 0.000 1.066 946 A HN 1.966 nan 8.150 nan 0.000 0.492 947 V N 4.663 124.590 119.914 0.022 0.000 2.482 947 V HA 0.494 4.614 4.120 -0.000 0.000 0.295 947 V C -0.741 175.368 176.094 0.024 0.000 1.026 947 V CA -0.511 61.803 62.300 0.023 0.000 0.856 947 V CB 1.114 32.948 31.823 0.018 0.000 1.001 947 V HN 0.749 nan 8.190 nan 0.000 0.424 948 I N 5.542 126.129 120.570 0.028 0.000 2.396 948 I HA 0.382 4.552 4.170 -0.000 0.000 0.292 948 I C -0.079 176.051 176.117 0.022 0.000 0.999 948 I CA -0.291 61.026 61.300 0.028 0.000 1.310 948 I CB 1.400 39.424 38.000 0.040 0.000 1.404 948 I HN 0.533 nan 8.210 nan 0.000 0.496 949 D N 6.269 126.679 120.400 0.016 0.000 2.479 949 D HA 0.083 4.723 4.640 -0.000 0.000 0.218 949 D C 0.944 177.245 176.300 0.003 0.000 1.131 949 D CA -0.097 53.908 54.000 0.009 0.000 0.916 949 D CB 0.673 41.476 40.800 0.006 0.000 1.022 949 D HN 0.512 nan 8.370 nan 0.000 0.515 950 E N 1.640 121.842 120.200 0.003 0.000 2.273 950 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 950 E C 0.995 177.585 176.600 -0.016 0.000 1.002 950 E CA 0.809 57.208 56.400 -0.002 0.000 0.828 950 E CB 0.373 30.065 29.700 -0.013 0.000 0.747 950 E HN 0.501 nan 8.360 nan 0.000 0.491 951 E N -0.287 119.901 120.200 -0.021 0.000 2.347 951 E HA -0.055 4.295 4.350 -0.000 0.000 0.196 951 E C 1.672 178.239 176.600 -0.056 0.000 1.008 951 E CA 0.768 57.149 56.400 -0.031 0.000 0.852 951 E CB 0.093 29.781 29.700 -0.019 0.000 0.783 951 E HN 0.429 nan 8.360 nan 0.000 0.505 952 M N -0.544 119.018 119.600 -0.064 0.000 2.461 952 M HA 0.077 4.557 4.480 -0.000 0.000 0.255 952 M C 1.107 177.353 176.300 -0.090 0.000 1.137 952 M CA -0.208 55.015 55.300 -0.129 0.000 1.086 952 M CB 0.785 33.313 32.600 -0.119 0.000 1.356 952 M HN -0.069 nan 8.290 nan 0.000 0.487 953 C N 2.867 122.150 119.300 -0.029 0.000 2.657 953 C HA 0.160 4.620 4.460 -0.000 0.000 0.420 953 C C 1.624 176.634 174.990 0.034 0.000 1.323 953 C CA -0.424 58.602 59.018 0.013 0.000 1.894 953 C CB -0.337 27.431 27.740 0.046 0.000 2.681 953 C HN 0.657 nan 8.230 nan 0.000 0.613 954 I N 1.733 122.335 120.570 0.052 0.000 3.877 954 I HA 0.366 4.536 4.170 -0.000 0.000 0.332 954 I C 0.465 176.657 176.117 0.124 0.000 1.525 954 I CA -0.237 61.108 61.300 0.075 0.000 1.146 954 I CB -0.899 37.125 38.000 0.041 0.000 1.137 954 I HN 0.839 nan 8.210 nan 0.000 0.424 955 N N 0.330 119.132 118.700 0.170 0.000 2.693 955 N HA -0.270 4.470 4.740 -0.000 0.000 0.249 955 N C 1.296 176.949 175.510 0.238 0.000 1.119 955 N CA 1.257 54.465 53.050 0.264 0.000 0.717 955 N CB -2.410 36.273 38.487 0.326 0.000 1.071 955 N HN 0.875 nan 8.380 nan 0.000 0.555 956 C N -2.656 116.715 119.300 0.118 0.000 2.435 956 C HA 0.368 4.828 4.460 -0.000 0.000 0.279 956 C C 2.196 177.153 174.990 -0.054 0.000 1.321 956 C CA 0.588 59.623 59.018 0.029 0.000 1.752 956 C CB -1.060 26.675 27.740 -0.008 0.000 1.959 956 C HN 1.091 nan 8.230 nan 0.000 0.500 957 G N 0.598 109.305 108.800 -0.155 0.000 2.136 957 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.242 957 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.242 957 G C 0.795 175.485 174.900 -0.350 0.000 0.989 957 G CA 0.598 45.286 45.100 -0.686 0.000 0.682 957 G HN 0.645 nan 8.290 nan 0.000 0.522 958 K N -0.274 120.021 120.400 -0.175 0.000 2.057 958 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 958 K C 3.008 179.547 176.600 -0.101 0.000 1.050 958 K CA 1.858 58.074 56.287 -0.119 0.000 0.935 958 K CB -0.532 31.925 32.500 -0.072 0.000 0.715 958 K HN 0.895 nan 8.250 nan 0.000 0.439 959 C N -0.041 119.215 119.300 -0.074 0.000 2.413 959 C HA -0.163 4.297 4.460 -0.000 0.000 0.276 959 C C 2.523 177.504 174.990 -0.016 0.000 1.248 959 C CA 0.415 59.415 59.018 -0.031 0.000 1.742 959 C CB -1.437 26.302 27.740 -0.000 0.000 2.017 959 C HN 0.468 nan 8.230 nan 0.000 0.481 960 Y N 1.943 122.103 120.300 -0.234 0.000 2.097 960 Y HA -0.223 4.327 4.550 -0.000 0.000 0.282 960 Y C 2.722 178.511 175.900 -0.185 0.000 1.152 960 Y CA 2.384 60.335 58.100 -0.248 0.000 1.136 960 Y CB -0.354 37.782 38.460 -0.539 0.000 0.975 960 Y HN 0.232 nan 8.280 nan 0.000 0.498 961 M N -0.440 118.989 119.600 -0.286 0.000 2.117 961 M HA -0.211 4.269 4.480 -0.000 0.000 0.262 961 M C 1.954 178.123 176.300 -0.218 0.000 1.065 961 M CA 2.043 57.146 55.300 -0.328 0.000 1.114 961 M CB -0.608 31.854 32.600 -0.231 0.000 1.361 961 M HN 0.284 nan 8.290 nan 0.000 0.408 962 T N 0.088 114.556 114.554 -0.143 0.000 2.622 962 T HA -0.221 4.129 4.350 -0.000 0.000 0.266 962 T C 1.923 176.556 174.700 -0.113 0.000 1.047 962 T CA 1.621 63.657 62.100 -0.106 0.000 1.159 962 T CB -0.844 67.984 68.868 -0.066 0.000 0.863 962 T HN 0.534 nan 8.240 nan 0.000 0.422 963 C N 2.053 121.302 119.300 -0.086 0.000 2.410 963 C HA -0.072 4.388 4.460 -0.000 0.000 0.281 963 C C 2.577 177.495 174.990 -0.121 0.000 1.318 963 C CA 0.685 59.665 59.018 -0.063 0.000 1.776 963 C CB -1.636 26.116 27.740 0.021 0.000 1.942 963 C HN 0.430 nan 8.230 nan 0.000 0.508 964 N N 1.023 119.607 118.700 -0.194 0.000 2.173 964 N HA -0.031 4.709 4.740 -0.000 0.000 0.184 964 N C 0.982 176.381 175.510 -0.186 0.000 1.025 964 N CA 1.480 54.394 53.050 -0.228 0.000 0.852 964 N CB -0.418 37.828 38.487 -0.402 0.000 0.998 964 N HN 0.548 nan 8.380 nan 0.000 0.427 965 D N -1.275 119.016 120.400 -0.181 0.000 2.398 965 D HA 0.215 4.855 4.640 -0.000 0.000 0.210 965 D C 0.132 176.349 176.300 -0.139 0.000 1.094 965 D CA 0.295 54.207 54.000 -0.147 0.000 0.839 965 D CB 0.473 41.192 40.800 -0.134 0.000 0.963 965 D HN -0.033 nan 8.370 nan 0.000 0.506 966 S N -0.867 114.741 115.700 -0.154 0.000 2.993 966 S HA 0.417 4.887 4.470 -0.000 0.000 0.257 966 S C 0.602 175.073 174.600 -0.215 0.000 0.997 966 S CA -0.252 57.856 58.200 -0.153 0.000 1.191 966 S CB 1.727 64.863 63.200 -0.108 0.000 1.143 966 S HN 0.302 nan 8.310 nan 0.000 0.655 967 G N 0.295 108.929 108.800 -0.276 0.000 3.253 967 G HA2 0.506 4.466 3.960 -0.000 0.000 0.175 967 G HA3 0.506 4.466 3.960 -0.000 0.000 0.175 967 G C -0.937 173.533 174.900 -0.715 0.000 1.098 967 G CA -0.361 44.475 45.100 -0.440 0.000 0.790 967 G HN 0.270 nan 8.290 nan 0.000 0.648 968 Y N 0.426 120.731 120.300 0.007 0.000 2.696 968 Y HA 0.327 4.877 4.550 -0.000 0.000 0.260 968 Y C 0.459 176.371 175.900 0.021 0.000 1.165 968 Y CA -0.558 57.552 58.100 0.018 0.000 1.189 968 Y CB 0.527 39.009 38.460 0.036 0.000 1.180 968 Y HN 0.292 nan 8.280 nan 0.000 0.538 969 Q N 0.125 119.960 119.800 0.059 0.000 2.431 969 Q HA -0.239 4.101 4.340 -0.000 0.000 0.344 969 Q C 0.808 176.884 176.000 0.126 0.000 1.384 969 Q CA 0.922 56.764 55.803 0.066 0.000 0.984 969 Q CB -1.638 27.127 28.738 0.045 0.000 1.204 969 Q HN 0.589 nan 8.270 nan 0.000 0.392 970 A N -0.531 122.378 122.820 0.148 0.000 2.430 970 A HA 0.465 4.785 4.320 -0.000 0.000 0.243 970 A C 0.347 178.014 177.584 0.139 0.000 1.254 970 A CA -0.134 51.990 52.037 0.144 0.000 0.914 970 A CB 0.622 19.712 19.000 0.151 0.000 0.998 970 A HN 0.425 nan 8.150 nan 0.000 0.515 971 I N 0.507 121.182 120.570 0.175 0.000 2.474 971 I HA 0.240 4.410 4.170 -0.000 0.000 0.294 971 I C -0.515 175.736 176.117 0.223 0.000 1.005 971 I CA -0.482 60.931 61.300 0.189 0.000 1.113 971 I CB 2.032 40.154 38.000 0.203 0.000 1.289 971 I HN 0.209 nan 8.210 nan 0.000 0.436 972 Q N 4.749 124.628 119.800 0.132 0.000 2.241 972 Q HA 0.411 4.751 4.340 -0.000 0.000 0.254 972 Q C -1.345 174.672 176.000 0.028 0.000 0.917 972 Q CA -0.539 55.312 55.803 0.080 0.000 0.919 972 Q CB 2.498 31.276 28.738 0.066 0.000 1.237 972 Q HN 0.405 nan 8.270 nan 0.000 0.434 973 F N 2.715 122.434 119.950 -0.386 0.000 2.434 973 F HA 0.188 4.715 4.527 -0.000 0.000 0.367 973 F C -0.411 175.278 175.800 -0.185 0.000 1.093 973 F CA -1.605 56.123 58.000 -0.454 0.000 1.085 973 F CB 0.631 38.934 39.000 -1.162 0.000 1.322 973 F HN 0.507 nan 8.300 nan 0.000 0.452 974 D N 7.189 127.450 120.400 -0.232 0.000 2.583 974 D HA 0.017 4.657 4.640 -0.000 0.000 0.232 974 D C -1.543 174.652 176.300 -0.174 0.000 1.128 974 D CA -0.563 53.342 54.000 -0.159 0.000 0.859 974 D CB 1.194 41.925 40.800 -0.115 0.000 1.169 974 D HN 0.288 nan 8.370 nan 0.000 0.481 975 P HA -0.033 nan 4.420 nan 0.000 0.241 975 P C 0.175 177.551 177.300 0.128 0.000 1.191 975 P CA 0.642 63.788 63.100 0.077 0.000 0.771 975 P CB 0.543 32.294 31.700 0.084 0.000 0.929 976 E N -0.577 119.667 120.200 0.072 0.000 2.332 976 E HA 0.031 4.381 4.350 -0.000 0.000 0.202 976 E C 1.639 178.370 176.600 0.219 0.000 0.877 976 E CA 1.326 57.813 56.400 0.145 0.000 0.979 976 E CB -0.285 29.490 29.700 0.125 0.000 0.969 976 E HN 0.315 nan 8.360 nan 0.000 0.495 977 T N -3.046 111.506 114.554 -0.004 0.000 3.023 977 T HA 0.102 4.452 4.350 -0.000 0.000 0.253 977 T C 0.436 175.206 174.700 0.116 0.000 1.038 977 T CA -0.109 61.892 62.100 -0.166 0.000 0.962 977 T CB -0.343 68.248 68.868 -0.461 0.000 1.018 977 T HN 0.238 nan 8.240 nan 0.000 0.521 978 H N 0.630 119.625 119.070 -0.124 0.000 2.690 978 H HA -0.102 4.454 4.556 -0.000 0.000 0.309 978 H C -0.749 174.392 175.328 -0.311 0.000 1.138 978 H CA -0.160 55.568 56.048 -0.535 0.000 1.142 978 H CB -1.684 27.979 29.762 -0.165 0.000 1.410 978 H HN 0.433 nan 8.280 nan 0.000 0.409 979 L N 1.884 123.034 121.223 -0.121 0.000 2.307 979 L HA 0.436 4.776 4.340 -0.000 0.000 0.284 979 L C -1.902 175.022 176.870 0.091 0.000 1.023 979 L CA -1.811 53.047 54.840 0.029 0.000 0.810 979 L CB 1.494 43.535 42.059 -0.029 0.000 1.231 979 L HN -0.030 nan 8.230 nan 0.000 0.423 980 P HA 0.312 nan 4.420 nan 0.000 0.282 980 P C -1.099 176.264 177.300 0.105 0.000 1.259 980 P CA -0.441 62.786 63.100 0.213 0.000 0.826 980 P CB 1.828 33.649 31.700 0.202 0.000 1.064 981 T N 0.614 115.223 114.554 0.092 0.000 3.170 981 T HA 0.192 4.542 4.350 -0.000 0.000 0.315 981 T C -0.316 174.428 174.700 0.073 0.000 0.967 981 T CA -0.393 61.747 62.100 0.066 0.000 1.024 981 T CB 0.642 69.538 68.868 0.048 0.000 1.018 981 T HN 0.084 nan 8.240 nan 0.000 0.449 982 V N 4.739 124.693 119.914 0.067 0.000 2.485 982 V HA 0.261 4.381 4.120 -0.000 0.000 0.287 982 V C 1.444 177.575 176.094 0.063 0.000 1.022 982 V CA -0.205 62.138 62.300 0.071 0.000 1.067 982 V CB 0.113 31.972 31.823 0.059 0.000 0.967 982 V HN 1.040 nan 8.190 nan 0.000 0.479 983 T N 0.865 115.462 114.554 0.072 0.000 2.810 983 T HA 0.170 4.520 4.350 -0.000 0.000 0.277 983 T C 0.828 175.561 174.700 0.056 0.000 0.973 983 T CA -0.141 61.996 62.100 0.062 0.000 0.949 983 T CB 1.019 69.928 68.868 0.068 0.000 1.075 983 T HN 0.785 nan 8.240 nan 0.000 0.537 984 D N -0.309 120.119 120.400 0.048 0.000 2.323 984 D HA -0.037 4.603 4.640 -0.000 0.000 0.239 984 D C 1.154 177.481 176.300 0.045 0.000 1.129 984 D CA 0.260 54.286 54.000 0.043 0.000 0.865 984 D CB -0.520 40.301 40.800 0.036 0.000 0.913 984 D HN 0.667 nan 8.370 nan 0.000 0.517 985 T N -1.840 112.746 114.554 0.053 0.000 3.081 985 T HA 0.041 4.391 4.350 -0.000 0.000 0.250 985 T C 1.383 176.112 174.700 0.047 0.000 1.100 985 T CA -0.412 61.719 62.100 0.052 0.000 1.038 985 T CB -0.854 68.058 68.868 0.075 0.000 0.962 985 T HN 0.347 nan 8.240 nan 0.000 0.516 986 C N 4.168 123.502 119.300 0.056 0.000 2.634 986 C HA 0.332 4.792 4.460 -0.000 0.000 0.417 986 C C 2.172 177.155 174.990 -0.011 0.000 1.334 986 C CA 0.686 59.732 59.018 0.047 0.000 1.829 986 C CB -0.067 27.706 27.740 0.054 0.000 2.665 986 C HN 0.686 nan 8.230 nan 0.000 0.614 987 T N 1.058 115.555 114.554 -0.094 0.000 3.010 987 T HA 0.330 4.680 4.350 -0.000 0.000 0.257 987 T C 1.305 175.923 174.700 -0.136 0.000 1.020 987 T CA 1.027 63.034 62.100 -0.154 0.000 0.938 987 T CB -0.095 68.469 68.868 -0.506 0.000 1.049 987 T HN 2.359 nan 8.240 nan 0.000 0.522 988 G N 1.169 109.937 108.800 -0.054 0.000 2.147 988 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.244 988 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.244 988 G C 1.306 176.200 174.900 -0.010 0.000 1.005 988 G CA 0.429 45.504 45.100 -0.041 0.000 0.713 988 G HN 1.251 nan 8.290 nan 0.000 0.515 989 C N -1.850 117.482 119.300 0.053 0.000 2.403 989 C HA 0.183 4.643 4.460 -0.000 0.000 0.279 989 C C 2.272 177.298 174.990 0.060 0.000 1.269 989 C CA 1.616 60.691 59.018 0.096 0.000 1.774 989 C CB -1.289 26.587 27.740 0.227 0.000 1.993 989 C HN 1.789 nan 8.230 nan 0.000 0.496 990 T N -0.638 113.947 114.554 0.051 0.000 5.496 990 T HA -0.210 4.140 4.350 -0.000 0.000 0.269 990 T C 0.529 175.246 174.700 0.029 0.000 2.195 990 T CA 0.948 63.066 62.100 0.031 0.000 3.732 990 T CB -2.048 66.829 68.868 0.015 0.000 0.680 990 T HN 0.705 nan 8.240 nan 0.000 1.131 991 L N 0.863 122.109 121.223 0.038 0.000 2.005 991 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 991 L C 3.166 180.042 176.870 0.009 0.000 1.072 991 L CA 2.398 57.248 54.840 0.018 0.000 0.744 991 L CB -0.569 41.495 42.059 0.009 0.000 0.895 991 L HN 0.870 nan 8.230 nan 0.000 0.433 992 C N -0.399 118.911 119.300 0.017 0.000 2.336 992 C HA -0.292 4.168 4.460 -0.000 0.000 0.275 992 C C 2.616 177.610 174.990 0.008 0.000 1.175 992 C CA 1.151 60.175 59.018 0.010 0.000 1.771 992 C CB -1.418 26.337 27.740 0.026 0.000 2.030 992 C HN 0.618 nan 8.230 nan 0.000 0.442 993 L N 1.587 122.819 121.223 0.015 0.000 2.051 993 L HA -0.191 4.149 4.340 -0.000 0.000 0.214 993 L C 2.699 179.574 176.870 0.008 0.000 1.076 993 L CA 2.498 57.346 54.840 0.012 0.000 0.758 993 L CB -0.531 41.536 42.059 0.013 0.000 0.890 993 L HN 0.572 nan 8.230 nan 0.000 0.433 994 S N -0.729 114.974 115.700 0.006 0.000 2.399 994 S HA -0.132 4.337 4.470 -0.000 0.000 0.231 994 S C 1.593 176.191 174.600 -0.003 0.000 1.022 994 S CA 1.411 59.612 58.200 0.002 0.000 0.983 994 S CB -0.219 62.982 63.200 0.001 0.000 0.803 994 S HN 0.611 nan 8.310 nan 0.000 0.480 995 V N -1.622 118.287 119.914 -0.008 0.000 3.621 995 V HA 0.333 4.453 4.120 -0.000 0.000 0.285 995 V C 0.891 176.977 176.094 -0.014 0.000 1.346 995 V CA -0.803 61.488 62.300 -0.015 0.000 1.104 995 V CB -1.180 30.627 31.823 -0.027 0.000 0.913 995 V HN 0.471 nan 8.190 nan 0.000 0.432 996 C N 4.668 123.965 119.300 -0.006 0.000 2.634 996 C HA 0.343 4.803 4.460 -0.000 0.000 0.418 996 C C 0.320 175.311 174.990 0.001 0.000 1.373 996 C CA -0.301 58.716 59.018 -0.002 0.000 1.756 996 C CB 0.692 28.436 27.740 0.007 0.000 2.589 996 C HN 0.578 nan 8.230 nan 0.000 0.602 997 P HA 0.104 nan 4.420 nan 0.000 0.245 997 P C -0.023 177.284 177.300 0.011 0.000 1.206 997 P CA 0.746 63.847 63.100 0.002 0.000 0.781 997 P CB -0.007 31.692 31.700 -0.002 0.000 0.994 998 I N 1.580 122.158 120.570 0.013 0.000 2.330 998 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 998 I C 0.932 177.069 176.117 0.034 0.000 1.001 998 I CA -1.981 59.332 61.300 0.022 0.000 1.193 998 I CB 1.038 39.036 38.000 -0.003 0.000 1.345 998 I HN -0.171 nan 8.210 nan 0.000 0.461 999 I N 6.473 127.076 120.570 0.054 0.000 2.741 999 I HA -0.069 4.101 4.170 -0.000 0.000 0.288 999 I C 0.613 176.766 176.117 0.061 0.000 1.192 999 I CA 0.652 61.983 61.300 0.052 0.000 1.426 999 I CB 0.059 38.091 38.000 0.053 0.000 1.367 999 I HN 0.594 nan 8.210 nan 0.000 0.563 1000 D N 2.750 123.176 120.400 0.042 0.000 3.076 1000 D HA -0.229 4.411 4.640 -0.000 0.000 0.218 1000 D C 1.092 177.412 176.300 0.035 0.000 1.156 1000 D CA 1.056 55.079 54.000 0.039 0.000 0.921 1000 D CB -1.391 39.436 40.800 0.046 0.000 1.113 1000 D HN 0.809 nan 8.370 nan 0.000 0.418 1001 C N 0.064 119.380 119.300 0.027 0.000 2.466 1001 C HA 0.154 4.614 4.460 -0.000 0.000 0.278 1001 C C 1.211 176.211 174.990 0.018 0.000 1.288 1001 C CA 0.077 59.103 59.018 0.013 0.000 1.722 1001 C CB -0.457 27.285 27.740 0.003 0.000 2.017 1001 C HN 0.351 nan 8.230 nan 0.000 0.488 1002 I N 1.269 121.851 120.570 0.020 0.000 2.437 1002 I HA 0.470 4.640 4.170 -0.000 0.000 0.298 1002 I C -0.131 175.997 176.117 0.018 0.000 0.984 1002 I CA -0.229 61.083 61.300 0.020 0.000 1.214 1002 I CB 1.148 39.160 38.000 0.021 0.000 1.365 1002 I HN 0.272 nan 8.210 nan 0.000 0.469 1003 R N 5.348 125.858 120.500 0.017 0.000 2.740 1003 R HA 0.589 4.929 4.340 -0.000 0.000 0.273 1003 R C -1.335 174.971 176.300 0.009 0.000 0.998 1003 R CA -1.005 55.102 56.100 0.013 0.000 0.900 1003 R CB 2.195 32.503 30.300 0.014 0.000 1.223 1003 R HN 0.385 nan 8.270 nan 0.000 0.466 1004 M N 2.794 122.395 119.600 0.002 0.000 2.157 1004 M HA 0.331 4.811 4.480 -0.000 0.000 0.354 1004 M C -0.231 176.064 176.300 -0.008 0.000 1.170 1004 M CA -0.727 54.570 55.300 -0.005 0.000 1.060 1004 M CB 1.045 33.637 32.600 -0.013 0.000 1.615 1004 M HN 0.506 nan 8.290 nan 0.000 0.460 1005 V N 0.349 120.259 119.914 -0.008 0.000 3.001 1005 V HA 0.704 4.824 4.120 -0.000 0.000 0.314 1005 V C 0.159 176.243 176.094 -0.016 0.000 1.099 1005 V CA -0.903 61.392 62.300 -0.008 0.000 0.989 1005 V CB 1.754 33.577 31.823 -0.000 0.000 1.040 1005 V HN 0.783 nan 8.190 nan 0.000 0.434 1006 S N 1.928 117.618 115.700 -0.016 0.000 2.549 1006 S HA 0.253 4.723 4.470 -0.000 0.000 0.286 1006 S C 0.268 174.859 174.600 -0.015 0.000 1.314 1006 S CA -0.176 58.011 58.200 -0.021 0.000 1.062 1006 S CB -0.004 63.186 63.200 -0.016 0.000 0.865 1006 S HN 0.823 nan 8.310 nan 0.000 0.498 1007 R N 1.426 121.913 120.500 -0.021 0.000 2.442 1007 R HA 0.082 4.422 4.340 -0.000 0.000 0.291 1007 R C 1.469 177.772 176.300 0.006 0.000 1.069 1007 R CA 0.318 56.415 56.100 -0.006 0.000 1.022 1007 R CB 0.351 30.646 30.300 -0.009 0.000 0.976 1007 R HN 0.884 nan 8.270 nan 0.000 0.443 1008 T N -0.986 113.576 114.554 0.013 0.000 3.044 1008 T HA -0.025 4.325 4.350 -0.000 0.000 0.255 1008 T C 1.050 175.763 174.700 0.021 0.000 1.073 1008 T CA 0.618 62.727 62.100 0.014 0.000 1.125 1008 T CB -0.009 68.867 68.868 0.013 0.000 0.908 1008 T HN 0.655 nan 8.240 nan 0.000 0.480 1009 T N 0.726 115.297 114.554 0.029 0.000 2.881 1009 T HA 0.599 4.949 4.350 -0.000 0.000 0.278 1009 T C -2.961 171.768 174.700 0.049 0.000 0.982 1009 T CA -1.861 60.258 62.100 0.033 0.000 0.989 1009 T CB 0.676 69.564 68.868 0.032 0.000 1.058 1009 T HN -0.044 nan 8.240 nan 0.000 0.529 1010 P HA 0.222 nan 4.420 nan 0.000 0.276 1010 P C -1.378 175.975 177.300 0.088 0.000 1.230 1010 P CA -0.381 62.752 63.100 0.055 0.000 0.776 1010 P CB 0.054 31.768 31.700 0.023 0.000 0.888 1011 Y N 2.513 122.802 120.300 -0.018 0.000 2.299 1011 Y HA 0.330 4.880 4.550 -0.000 0.000 0.326 1011 Y C 0.100 175.986 175.900 -0.024 0.000 1.164 1011 Y CA -0.232 57.852 58.100 -0.027 0.000 1.234 1011 Y CB 0.965 39.407 38.460 -0.030 0.000 1.219 1011 Y HN 0.374 nan 8.280 nan 0.000 0.497 1012 E N 7.204 126.937 120.200 -0.779 0.000 2.361 1012 E HA 0.282 4.632 4.350 -0.000 0.000 0.270 1012 E C -2.598 173.552 176.600 -0.750 0.000 0.911 1012 E CA -2.120 53.920 56.400 -0.600 0.000 0.818 1012 E CB 1.260 30.798 29.700 -0.269 0.000 1.332 1012 E HN 0.563 nan 8.360 nan 0.000 0.402 1013 P HA -0.073 nan 4.420 nan 0.000 0.266 1013 P C -0.821 176.351 177.300 -0.213 0.000 1.186 1013 P CA 0.203 63.062 63.100 -0.400 0.000 0.767 1013 P CB 0.515 32.116 31.700 -0.165 0.000 0.820 1014 K N 3.053 123.384 120.400 -0.115 0.000 2.250 1014 K HA 0.153 4.473 4.320 -0.000 0.000 0.280 1014 K C 0.947 177.544 176.600 -0.006 0.000 1.098 1014 K CA -0.421 55.839 56.287 -0.045 0.000 0.916 1014 K CB 0.552 33.058 32.500 0.010 0.000 1.209 1014 K HN 0.233 nan 8.250 nan 0.000 0.461 1015 R N 1.613 122.103 120.500 -0.018 0.000 2.276 1015 R HA 0.076 4.416 4.340 -0.000 0.000 0.196 1015 R C 1.384 177.688 176.300 0.005 0.000 0.961 1015 R CA 0.750 56.848 56.100 -0.004 0.000 1.024 1015 R CB -0.019 30.273 30.300 -0.013 0.000 0.940 1015 R HN 0.987 nan 8.270 nan 0.000 0.480 1016 G N 1.176 109.980 108.800 0.006 0.000 4.039 1016 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.220 1016 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.220 1016 G C 0.073 174.975 174.900 0.004 0.000 1.391 1016 G CA 0.145 45.251 45.100 0.010 0.000 0.920 1016 G HN 0.250 nan 8.290 nan 0.000 0.599 1017 L N 2.142 123.366 121.223 0.001 0.000 2.356 1017 L HA 0.471 4.811 4.340 -0.000 0.000 0.277 1017 L C -1.920 174.948 176.870 -0.004 0.000 0.996 1017 L CA -1.878 52.962 54.840 -0.001 0.000 0.822 1017 L CB 2.017 44.076 42.059 0.000 0.000 1.256 1017 L HN 0.135 nan 8.230 nan 0.000 0.413 1018 P HA 0.047 nan 4.420 nan 0.000 0.269 1018 P C -0.761 176.535 177.300 -0.006 0.000 1.205 1018 P CA 0.032 63.127 63.100 -0.009 0.000 0.780 1018 P CB 0.554 32.249 31.700 -0.008 0.000 0.858 1019 L N 0.539 121.758 121.223 -0.007 0.000 2.344 1019 L HA 0.608 4.948 4.340 -0.000 0.000 0.272 1019 L C 0.658 177.525 176.870 -0.004 0.000 1.035 1019 L CA -0.807 54.031 54.840 -0.005 0.000 0.807 1019 L CB 1.353 43.409 42.059 -0.005 0.000 1.237 1019 L HN 0.430 nan 8.230 nan 0.000 0.442 1020 A N 0.000 122.818 122.820 -0.003 0.000 2.254 1020 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1020 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 1020 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 1020 A HN 0.000 nan 8.150 nan 0.000 0.486