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 2nsx_1_C DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT FPALGTFSRY ESTRSGRRME DATA SEQUENCE LSMGPIQANH TGTGLLLTLQ PEQKFQKVKG FGGAMTDAAA LNILALSPPA DATA SEQUENCE QNLLLKSYFS EEGIGYNIIR VPMASCDFSI RTYTYADTPD DFQLHNFSLP DATA SEQUENCE EEDTKLKIPL IHRALQLAQR PVSLLASPWT SPTWLKTNGA VNGKGSLKGQ DATA SEQUENCE PGDIYHQTWA RYFVKFLDAY AEHKLQFWAV TAENEPSAGL LSGYPFQCLG DATA SEQUENCE FTPEHQRDFI ARDLGPTLAN STHHNVRLLM LDDQRLLLPH WAKVVLTDPE DATA SEQUENCE AAKYVHGIAV HWYLDFLAPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITN LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWHRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.555 177.584 -0.049 0.000 1.274 1 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 1 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 2 R N 1.518 121.952 120.500 -0.110 0.000 2.255 2 R HA 0.532 4.872 4.340 0.001 0.000 0.326 2 R C -2.739 173.509 176.300 -0.087 0.000 0.986 2 R CA -1.900 54.124 56.100 -0.126 0.000 0.847 2 R CB 1.476 31.562 30.300 -0.355 0.000 1.111 2 R HN 0.382 nan 8.270 nan 0.000 0.452 3 P HA -0.002 nan 4.420 nan 0.000 0.274 3 P C -0.132 177.220 177.300 0.086 0.000 1.246 3 P CA -0.604 62.513 63.100 0.029 0.000 0.795 3 P CB 0.705 32.428 31.700 0.039 0.000 1.006 4 c N 2.654 121.266 118.600 0.020 0.000 2.642 4 c HA 0.219 4.790 4.570 0.001 0.000 0.420 4 c C 0.618 174.733 174.090 0.041 0.000 1.349 4 c CA -0.178 56.170 56.329 0.032 0.000 1.821 4 c CB -2.096 40.389 42.510 -0.042 0.000 2.637 4 c HN 0.367 nan 8.230 nan 0.000 0.605 5 I N 9.127 129.726 120.570 0.048 0.000 2.307 5 I HA 0.314 4.485 4.170 0.001 0.000 0.287 5 I C -1.701 174.411 176.117 -0.010 0.000 1.054 5 I CA -1.534 59.745 61.300 -0.034 0.000 1.218 5 I CB 1.183 39.090 38.000 -0.155 0.000 1.398 5 I HN 0.621 nan 8.210 nan 0.000 0.475 6 P HA 0.218 nan 4.420 nan 0.000 0.277 6 P C -1.101 176.187 177.300 -0.020 0.000 1.240 6 P CA -0.638 62.460 63.100 -0.004 0.000 0.798 6 P CB 1.299 32.986 31.700 -0.021 0.000 0.979 7 K N 0.778 121.175 120.400 -0.005 0.000 2.565 7 K HA 0.381 4.702 4.320 0.001 0.000 0.251 7 K C -0.994 175.554 176.600 -0.088 0.000 0.956 7 K CA -0.494 55.734 56.287 -0.097 0.000 0.809 7 K CB 1.642 34.071 32.500 -0.118 0.000 1.267 7 K HN 0.364 nan 8.250 nan 0.000 0.438 8 S N 2.929 118.523 115.700 -0.177 0.000 2.585 8 S HA 0.515 4.986 4.470 0.001 0.000 0.277 8 S C -0.455 173.952 174.600 -0.321 0.000 1.241 8 S CA -0.422 57.711 58.200 -0.112 0.000 1.041 8 S CB 0.319 63.463 63.200 -0.093 0.000 0.987 8 S HN 0.523 nan 8.310 nan 0.000 0.512 9 F N 2.071 121.980 119.950 -0.068 0.000 2.814 9 F HA 0.395 4.923 4.527 0.001 0.000 0.326 9 F C 1.494 177.162 175.800 -0.220 0.000 1.159 9 F CA 0.100 58.039 58.000 -0.102 0.000 1.234 9 F CB 0.709 39.683 39.000 -0.043 0.000 1.016 9 F HN 0.891 nan 8.300 nan 0.000 0.510 10 G N -0.737 108.003 108.800 -0.101 0.000 2.175 10 G HA2 -0.312 3.648 3.960 0.001 0.000 0.244 10 G HA3 -0.312 3.648 3.960 0.001 0.000 0.244 10 G C 0.061 174.735 174.900 -0.376 0.000 0.982 10 G CA -0.228 44.713 45.100 -0.265 0.000 0.641 10 G HN 0.363 nan 8.290 nan 0.000 0.527 11 Y N 0.628 120.971 120.300 0.071 0.000 2.496 11 Y HA 0.467 5.018 4.550 0.001 0.000 0.325 11 Y C 2.174 178.102 175.900 0.048 0.000 1.271 11 Y CA 0.049 58.183 58.100 0.056 0.000 1.368 11 Y CB 0.792 39.289 38.460 0.060 0.000 1.415 11 Y HN 0.210 nan 8.280 nan 0.000 0.527 12 S N -1.216 114.620 115.700 0.227 0.000 2.442 12 S HA -0.071 4.399 4.470 0.001 0.000 0.236 12 S C 0.720 175.371 174.600 0.085 0.000 1.007 12 S CA 1.153 59.417 58.200 0.107 0.000 0.965 12 S CB -0.194 63.048 63.200 0.071 0.000 0.773 12 S HN 0.498 nan 8.310 nan 0.000 0.504 13 S N -0.808 114.991 115.700 0.164 0.000 2.903 13 S HA 0.689 5.160 4.470 0.001 0.000 0.314 13 S C -0.814 173.886 174.600 0.167 0.000 1.177 13 S CA -0.253 58.031 58.200 0.140 0.000 0.859 13 S CB 1.091 64.434 63.200 0.239 0.000 1.265 13 S HN 0.808 nan 8.310 nan 0.000 0.584 14 V N 0.862 120.869 119.914 0.154 0.000 2.966 14 V HA 0.942 5.063 4.120 0.001 0.000 0.317 14 V C 0.124 176.340 176.094 0.204 0.000 1.070 14 V CA -0.478 61.911 62.300 0.148 0.000 1.008 14 V CB 0.994 32.862 31.823 0.074 0.000 1.070 14 V HN 0.872 nan 8.190 nan 0.000 0.457 15 V N -0.476 119.563 119.914 0.208 0.000 2.973 15 V HA 0.687 4.807 4.120 0.001 0.000 0.314 15 V C 0.089 176.304 176.094 0.202 0.000 1.066 15 V CA -0.547 61.893 62.300 0.234 0.000 1.021 15 V CB 1.181 33.141 31.823 0.229 0.000 1.076 15 V HN 1.086 nan 8.190 nan 0.000 0.462 16 c N 2.027 120.759 118.600 0.219 0.000 2.303 16 c HA 0.683 5.254 4.570 0.001 0.000 0.326 16 c C 0.215 174.374 174.090 0.115 0.000 1.285 16 c CA -0.573 55.841 56.329 0.142 0.000 1.675 16 c CB 0.553 43.155 42.510 0.153 0.000 2.289 16 c HN 0.764 nan 8.230 nan 0.000 0.512 17 V N 3.213 123.178 119.914 0.085 0.000 2.406 17 V HA 0.363 4.484 4.120 0.001 0.000 0.272 17 V C 0.220 176.212 176.094 -0.170 0.000 1.043 17 V CA -0.111 62.215 62.300 0.044 0.000 0.915 17 V CB 0.489 32.379 31.823 0.111 0.000 0.988 17 V HN 1.063 nan 8.190 nan 0.000 0.466 18 c N 5.248 123.533 118.600 -0.525 0.000 2.667 18 c HA 0.865 5.436 4.570 0.001 0.000 0.323 18 c C 0.215 173.903 174.090 -0.671 0.000 1.214 18 c CA -0.623 55.268 56.329 -0.730 0.000 1.721 18 c CB 1.610 43.240 42.510 -1.467 0.000 2.275 18 c HN 1.102 nan 8.230 nan 0.000 0.491 19 N N -0.054 118.448 118.700 -0.329 0.000 3.522 19 N HA 0.497 5.237 4.740 0.001 0.000 0.328 19 N C 0.220 175.735 175.510 0.009 0.000 1.623 19 N CA -0.081 52.890 53.050 -0.132 0.000 0.812 19 N CB 0.157 38.594 38.487 -0.082 0.000 2.008 19 N HN 0.496 nan 8.380 nan 0.000 0.601 20 A N -1.052 121.788 122.820 0.033 0.000 2.015 20 A HA -0.007 4.313 4.320 0.001 0.000 0.219 20 A C 1.501 179.116 177.584 0.051 0.000 1.163 20 A CA 2.467 54.537 52.037 0.054 0.000 0.646 20 A CB -1.277 17.746 19.000 0.038 0.000 0.806 20 A HN 0.891 nan 8.150 nan 0.000 0.448 21 T N -6.210 108.377 114.554 0.055 0.000 3.044 21 T HA 0.384 4.734 4.350 0.001 0.000 0.260 21 T C -0.133 174.637 174.700 0.116 0.000 1.019 21 T CA -0.077 62.064 62.100 0.068 0.000 0.921 21 T CB -0.122 68.784 68.868 0.063 0.000 1.053 21 T HN 0.313 nan 8.240 nan 0.000 0.533 22 Y N 0.032 120.301 120.300 -0.052 0.000 2.442 22 Y HA 0.548 5.098 4.550 0.001 0.000 0.330 22 Y C -1.658 174.172 175.900 -0.117 0.000 1.100 22 Y CA -1.470 56.587 58.100 -0.071 0.000 1.034 22 Y CB 1.740 40.153 38.460 -0.078 0.000 1.285 22 Y HN 0.293 nan 8.280 nan 0.000 0.440 23 c N 6.614 124.936 118.600 -0.462 0.000 2.985 23 c HA 0.378 4.949 4.570 0.001 0.000 0.332 23 c C -1.363 172.448 174.090 -0.465 0.000 1.164 23 c CA -0.838 55.306 56.329 -0.309 0.000 1.347 23 c CB 0.733 43.165 42.510 -0.129 0.000 1.764 23 c HN 0.921 nan 8.230 nan 0.000 0.489 24 D N 3.211 123.469 120.400 -0.237 0.000 2.488 24 D HA 0.366 5.006 4.640 0.001 0.000 0.238 24 D C -0.153 176.002 176.300 -0.243 0.000 1.138 24 D CA 0.506 54.382 54.000 -0.207 0.000 0.873 24 D CB 0.940 41.696 40.800 -0.073 0.000 1.183 24 D HN 0.839 nan 8.370 nan 0.000 0.458 25 S N 0.247 115.768 115.700 -0.299 0.000 2.588 25 S HA 0.621 5.091 4.470 0.001 0.000 0.269 25 S C -1.075 173.330 174.600 -0.326 0.000 1.157 25 S CA -1.091 56.949 58.200 -0.267 0.000 0.824 25 S CB 0.776 63.896 63.200 -0.133 0.000 1.126 25 S HN 0.344 nan 8.310 nan 0.000 0.464 26 F N 1.255 121.222 119.950 0.027 0.000 2.432 26 F HA 0.494 5.021 4.527 0.001 0.000 0.329 26 F C 0.862 176.676 175.800 0.023 0.000 1.076 26 F CA -0.542 57.486 58.000 0.048 0.000 1.018 26 F CB 0.845 39.876 39.000 0.051 0.000 1.201 26 F HN 0.526 nan 8.300 nan 0.000 0.489 27 D N 1.808 122.345 120.400 0.228 0.000 2.358 27 D HA 0.200 4.841 4.640 0.001 0.000 0.244 27 D C -2.188 174.178 176.300 0.110 0.000 1.163 27 D CA -1.021 53.054 54.000 0.125 0.000 0.945 27 D CB 0.330 41.181 40.800 0.085 0.000 1.152 27 D HN 0.124 nan 8.370 nan 0.000 0.451 28 P HA 0.089 nan 4.420 nan 0.000 0.266 28 P C -2.364 174.897 177.300 -0.065 0.000 1.193 28 P CA -0.684 62.415 63.100 -0.002 0.000 0.770 28 P CB -0.382 31.312 31.700 -0.010 0.000 0.836 29 P HA 0.044 nan 4.420 nan 0.000 0.265 29 P C -0.800 176.119 177.300 -0.635 0.000 1.193 29 P CA 0.529 63.454 63.100 -0.291 0.000 0.765 29 P CB 0.343 31.872 31.700 -0.285 0.000 0.823 30 T N 3.766 117.993 114.554 -0.545 0.000 3.050 30 T HA 0.444 4.795 4.350 0.001 0.000 0.310 30 T C -0.809 173.758 174.700 -0.222 0.000 0.978 30 T CA -0.281 61.521 62.100 -0.497 0.000 1.013 30 T CB 0.112 68.888 68.868 -0.153 0.000 1.000 30 T HN 0.112 nan 8.240 nan 0.000 0.447 31 F N 2.683 122.675 119.950 0.070 0.000 2.347 31 F HA 0.567 5.095 4.527 0.001 0.000 0.366 31 F C -2.007 173.720 175.800 -0.122 0.000 1.107 31 F CA -4.147 53.873 58.000 0.034 0.000 1.058 31 F CB -0.616 38.505 39.000 0.202 0.000 1.236 31 F HN 0.187 nan 8.300 nan 0.000 0.456 32 P HA 0.229 nan 4.420 nan 0.000 0.271 32 P C -0.098 177.030 177.300 -0.288 0.000 1.233 32 P CA -0.329 62.705 63.100 -0.110 0.000 0.789 32 P CB 0.723 32.366 31.700 -0.094 0.000 0.951 33 A N 1.557 124.304 122.820 -0.122 0.000 2.475 33 A HA 0.116 4.436 4.320 0.001 0.000 0.239 33 A C 0.339 177.905 177.584 -0.031 0.000 1.087 33 A CA -0.402 51.603 52.037 -0.054 0.000 0.779 33 A CB -0.467 18.533 19.000 -0.001 0.000 1.036 33 A HN 0.651 nan 8.150 nan 0.000 0.506 34 L N 1.245 122.516 121.223 0.079 0.000 2.578 34 L HA 0.384 4.725 4.340 0.001 0.000 0.279 34 L C 1.327 178.237 176.870 0.067 0.000 1.227 34 L CA 2.196 57.110 54.840 0.123 0.000 0.900 34 L CB -0.048 42.086 42.059 0.126 0.000 1.144 34 L HN 1.696 nan 8.230 nan 0.000 0.496 35 G N 2.069 110.911 108.800 0.070 0.000 2.175 35 G HA2 -0.230 3.731 3.960 0.001 0.000 0.244 35 G HA3 -0.230 3.731 3.960 0.001 0.000 0.244 35 G C 0.358 175.265 174.900 0.012 0.000 0.982 35 G CA 0.163 45.281 45.100 0.029 0.000 0.641 35 G HN 0.885 nan 8.290 nan 0.000 0.527 36 T N 1.032 115.593 114.554 0.012 0.000 2.863 36 T HA 0.656 5.007 4.350 0.001 0.000 0.285 36 T C -0.480 174.256 174.700 0.058 0.000 1.009 36 T CA -0.074 61.994 62.100 -0.054 0.000 0.989 36 T CB 1.767 70.565 68.868 -0.117 0.000 1.004 36 T HN 0.944 nan 8.240 nan 0.000 0.455 37 F N -0.156 119.811 119.950 0.028 0.000 2.556 37 F HA 0.889 5.416 4.527 0.001 0.000 0.327 37 F C -0.293 175.556 175.800 0.083 0.000 1.059 37 F CA -1.140 56.934 58.000 0.123 0.000 0.953 37 F CB 1.149 40.204 39.000 0.093 0.000 1.227 37 F HN 0.357 nan 8.300 nan 0.000 0.478 38 S N 1.963 117.886 115.700 0.373 0.000 2.509 38 S HA 0.592 5.063 4.470 0.001 0.000 0.297 38 S C -0.912 173.849 174.600 0.269 0.000 1.118 38 S CA -0.879 57.408 58.200 0.144 0.000 1.074 38 S CB 1.404 64.629 63.200 0.042 0.000 1.038 38 S HN 0.777 nan 8.310 nan 0.000 0.498 39 R N 2.267 122.768 120.500 0.001 0.000 2.476 39 R HA 0.361 4.701 4.340 0.001 0.000 0.305 39 R C -1.968 174.072 176.300 -0.433 0.000 0.965 39 R CA -0.440 55.528 56.100 -0.220 0.000 0.867 39 R CB 0.679 30.912 30.300 -0.112 0.000 1.176 39 R HN 0.640 nan 8.270 nan 0.000 0.447 40 Y N 2.111 122.214 120.300 -0.329 0.000 2.328 40 Y HA 0.265 4.816 4.550 0.001 0.000 0.337 40 Y C 0.173 176.017 175.900 -0.094 0.000 1.008 40 Y CA -0.370 57.631 58.100 -0.164 0.000 1.129 40 Y CB 1.616 39.978 38.460 -0.163 0.000 1.185 40 Y HN 0.537 nan 8.280 nan 0.000 0.476 41 E N 1.997 122.234 120.200 0.061 0.000 2.199 41 E HA 0.585 4.935 4.350 0.001 0.000 0.265 41 E C -1.365 175.395 176.600 0.268 0.000 0.882 41 E CA -0.554 55.880 56.400 0.056 0.000 0.759 41 E CB 1.078 30.666 29.700 -0.187 0.000 1.148 41 E HN 0.576 nan 8.360 nan 0.000 0.412 42 S N 2.320 118.253 115.700 0.389 0.000 2.482 42 S HA 0.553 5.023 4.470 0.001 0.000 0.303 42 S C -0.742 174.072 174.600 0.356 0.000 1.091 42 S CA -0.739 57.701 58.200 0.400 0.000 1.057 42 S CB 1.706 65.252 63.200 0.577 0.000 1.031 42 S HN 0.651 nan 8.310 nan 0.000 0.485 43 T N -0.763 113.865 114.554 0.122 0.000 2.906 43 T HA 0.483 4.834 4.350 0.001 0.000 0.295 43 T C 0.830 174.991 174.700 -0.898 0.000 1.061 43 T CA -0.986 60.971 62.100 -0.238 0.000 1.000 43 T CB 1.651 70.454 68.868 -0.110 0.000 1.103 43 T HN 0.451 nan 8.240 nan 0.000 0.486 44 R N 0.933 120.549 120.500 -1.473 0.000 2.105 44 R HA -0.119 4.222 4.340 0.001 0.000 0.239 44 R C 2.167 178.144 176.300 -0.540 0.000 1.135 44 R CA 2.155 57.392 56.100 -1.438 0.000 0.967 44 R CB -0.750 28.782 30.300 -1.281 0.000 0.861 44 R HN 0.832 nan 8.270 nan 0.000 0.442 45 S N -1.651 113.837 115.700 -0.354 0.000 2.507 45 S HA 0.030 4.500 4.470 0.001 0.000 0.235 45 S C 1.321 175.842 174.600 -0.132 0.000 0.988 45 S CA 0.974 59.066 58.200 -0.179 0.000 0.944 45 S CB 0.392 63.522 63.200 -0.117 0.000 0.762 45 S HN 0.586 nan 8.310 nan 0.000 0.526 46 G N 0.476 109.187 108.800 -0.148 0.000 2.425 46 G HA2 -0.105 3.855 3.960 0.001 0.000 0.177 46 G HA3 -0.105 3.855 3.960 0.001 0.000 0.177 46 G C -0.004 174.865 174.900 -0.053 0.000 0.999 46 G CA -0.694 44.360 45.100 -0.077 0.000 0.723 46 G HN 0.481 nan 8.290 nan 0.000 0.491 47 R N 0.646 121.120 120.500 -0.044 0.000 2.590 47 R HA 0.547 4.888 4.340 0.001 0.000 0.274 47 R C -0.238 176.070 176.300 0.013 0.000 1.061 47 R CA 0.021 56.116 56.100 -0.008 0.000 1.081 47 R CB 0.415 30.726 30.300 0.019 0.000 0.984 47 R HN -0.024 nan 8.270 nan 0.000 0.448 48 R N 3.717 124.199 120.500 -0.029 0.000 2.467 48 R HA 0.175 4.516 4.340 0.001 0.000 0.299 48 R C -0.128 176.199 176.300 0.044 0.000 1.120 48 R CA -0.583 55.436 56.100 -0.134 0.000 0.940 48 R CB 1.153 31.163 30.300 -0.484 0.000 1.161 48 R HN 0.795 nan 8.270 nan 0.000 0.506 49 M N 0.886 120.626 119.600 0.233 0.000 2.175 49 M HA -0.257 4.223 4.480 0.001 0.000 0.192 49 M C -0.515 176.027 176.300 0.403 0.000 0.473 49 M CA 1.278 56.804 55.300 0.378 0.000 0.414 49 M CB -1.150 31.765 32.600 0.525 0.000 1.069 49 M HN 0.408 nan 8.290 nan 0.000 0.933 50 E N 0.955 121.278 120.200 0.205 0.000 2.259 50 E HA 0.365 4.716 4.350 0.001 0.000 0.281 50 E C -0.320 176.258 176.600 -0.037 0.000 1.037 50 E CA -0.619 55.834 56.400 0.089 0.000 0.854 50 E CB 1.110 30.825 29.700 0.025 0.000 1.051 50 E HN 0.283 nan 8.360 nan 0.000 0.409 51 L N 3.294 124.438 121.223 -0.131 0.000 2.349 51 L HA 0.256 4.596 4.340 0.001 0.000 0.275 51 L C -0.433 176.277 176.870 -0.267 0.000 1.115 51 L CA 0.407 54.991 54.840 -0.427 0.000 0.820 51 L CB 0.899 42.688 42.059 -0.451 0.000 1.135 51 L HN 0.563 nan 8.230 nan 0.000 0.445 52 S N 4.377 119.904 115.700 -0.289 0.000 2.651 52 S HA 0.835 5.306 4.470 0.001 0.000 0.279 52 S C -0.719 173.746 174.600 -0.227 0.000 1.148 52 S CA -1.062 57.023 58.200 -0.192 0.000 0.837 52 S CB 1.510 64.642 63.200 -0.114 0.000 1.138 52 S HN 0.615 nan 8.310 nan 0.000 0.478 53 M N 0.296 119.736 119.600 -0.266 0.000 2.619 53 M HA 0.770 5.250 4.480 0.001 0.000 0.297 53 M C -0.043 175.885 176.300 -0.620 0.000 1.229 53 M CA -0.446 54.578 55.300 -0.460 0.000 0.860 53 M CB 2.672 35.077 32.600 -0.326 0.000 1.741 53 M HN 1.126 nan 8.290 nan 0.000 0.462 54 G N 0.960 109.042 108.800 -1.197 0.000 2.663 54 G HA2 0.800 4.760 3.960 0.001 0.000 0.299 54 G HA3 0.800 4.760 3.960 0.001 0.000 0.299 54 G C -3.402 171.081 174.900 -0.696 0.000 1.372 54 G CA -0.822 43.759 45.100 -0.864 0.000 0.781 54 G HN 0.356 nan 8.290 nan 0.000 0.491 55 P HA 0.551 nan 4.420 nan 0.000 0.290 55 P C -0.718 176.691 177.300 0.182 0.000 1.275 55 P CA -0.557 62.540 63.100 -0.004 0.000 0.841 55 P CB 1.997 33.701 31.700 0.006 0.000 1.042 56 I N 2.463 123.092 120.570 0.099 0.000 2.328 56 I HA 0.272 4.442 4.170 0.001 0.000 0.287 56 I C 0.697 176.815 176.117 0.002 0.000 1.012 56 I CA -0.377 60.925 61.300 0.005 0.000 1.195 56 I CB 0.880 38.799 38.000 -0.135 0.000 1.350 56 I HN 0.241 nan 8.210 nan 0.000 0.464 57 Q N 3.156 122.979 119.800 0.038 0.000 2.194 57 Q HA 0.583 4.924 4.340 0.001 0.000 0.245 57 Q C 0.822 176.903 176.000 0.135 0.000 0.993 57 Q CA -0.506 55.340 55.803 0.071 0.000 0.930 57 Q CB 1.879 30.660 28.738 0.071 0.000 1.238 57 Q HN 0.766 nan 8.270 nan 0.000 0.486 58 A N 0.826 123.723 122.820 0.129 0.000 1.984 58 A HA 0.061 4.382 4.320 0.001 0.000 0.214 58 A C 0.162 177.872 177.584 0.210 0.000 1.173 58 A CA 0.489 52.638 52.037 0.186 0.000 0.673 58 A CB -0.214 18.849 19.000 0.105 0.000 0.830 58 A HN 0.750 nan 8.150 nan 0.000 0.453 59 N N -0.545 118.209 118.700 0.090 0.000 2.515 59 N HA 0.379 5.120 4.740 0.001 0.000 0.279 59 N C -0.585 174.856 175.510 -0.115 0.000 1.164 59 N CA -0.183 52.858 53.050 -0.014 0.000 0.982 59 N CB 0.530 39.011 38.487 -0.011 0.000 1.170 59 N HN 0.500 nan 8.380 nan 0.000 0.474 60 H N -0.206 118.614 119.070 -0.417 0.000 2.638 60 H HA 0.178 4.735 4.556 0.001 0.000 0.317 60 H C 0.297 175.455 175.328 -0.284 0.000 1.006 60 H CA -0.609 55.101 56.048 -0.563 0.000 1.222 60 H CB 0.772 29.935 29.762 -0.997 0.000 1.419 60 H HN 0.767 nan 8.280 nan 0.000 0.489 61 T N 0.692 115.289 114.554 0.072 0.000 3.037 61 T HA 0.188 4.538 4.350 0.001 0.000 0.252 61 T C 1.239 175.963 174.700 0.039 0.000 1.073 61 T CA 0.116 62.226 62.100 0.018 0.000 1.091 61 T CB 0.262 69.133 68.868 0.005 0.000 0.935 61 T HN 0.532 nan 8.240 nan 0.000 0.488 62 G N 1.520 110.426 108.800 0.176 0.000 2.441 62 G HA2 0.403 4.363 3.960 0.001 0.000 0.243 62 G HA3 0.403 4.363 3.960 0.001 0.000 0.243 62 G C 0.653 175.552 174.900 -0.001 0.000 1.281 62 G CA 0.222 45.395 45.100 0.122 0.000 0.854 62 G HN 0.437 nan 8.290 nan 0.000 0.560 63 T N -0.770 113.767 114.554 -0.027 0.000 3.170 63 T HA 0.461 4.811 4.350 0.001 0.000 0.288 63 T C 1.013 175.697 174.700 -0.028 0.000 0.992 63 T CA 0.428 62.481 62.100 -0.077 0.000 0.909 63 T CB 0.510 69.326 68.868 -0.086 0.000 1.133 63 T HN 0.737 nan 8.240 nan 0.000 0.530 64 G N 1.616 110.422 108.800 0.010 0.000 2.849 64 G HA2 0.583 4.543 3.960 0.001 0.000 0.174 64 G HA3 0.583 4.543 3.960 0.001 0.000 0.174 64 G C -0.445 174.473 174.900 0.030 0.000 1.370 64 G CA -1.059 44.048 45.100 0.011 0.000 1.040 64 G HN 0.439 nan 8.290 nan 0.000 0.582 65 L N -0.025 121.211 121.223 0.022 0.000 2.615 65 L HA 0.340 4.681 4.340 0.001 0.000 0.284 65 L C -0.382 176.513 176.870 0.041 0.000 1.237 65 L CA 0.013 54.869 54.840 0.026 0.000 0.905 65 L CB 0.363 42.429 42.059 0.011 0.000 1.149 65 L HN 0.322 nan 8.230 nan 0.000 0.499 66 L N 6.397 127.653 121.223 0.056 0.000 2.341 66 L HA 0.575 4.915 4.340 0.001 0.000 0.278 66 L C -1.292 175.599 176.870 0.035 0.000 1.005 66 L CA -0.258 54.620 54.840 0.064 0.000 0.818 66 L CB 1.477 43.621 42.059 0.142 0.000 1.259 66 L HN 0.560 nan 8.230 nan 0.000 0.418 67 L N 4.877 126.101 121.223 0.002 0.000 2.298 67 L HA 0.535 4.875 4.340 0.001 0.000 0.284 67 L C -0.366 176.502 176.870 -0.003 0.000 1.013 67 L CA -0.427 54.416 54.840 0.004 0.000 0.824 67 L CB 1.658 43.714 42.059 -0.005 0.000 1.221 67 L HN 0.582 nan 8.230 nan 0.000 0.418 68 T N 4.059 118.625 114.554 0.019 0.000 2.756 68 T HA 0.329 4.680 4.350 0.001 0.000 0.290 68 T C -0.150 174.572 174.700 0.037 0.000 0.985 68 T CA -0.462 61.644 62.100 0.010 0.000 0.955 68 T CB 1.350 70.229 68.868 0.019 0.000 0.930 68 T HN 0.235 nan 8.240 nan 0.000 0.451 69 L N 4.012 125.268 121.223 0.054 0.000 2.540 69 L HA 0.131 4.471 4.340 0.001 0.000 0.276 69 L C 0.178 177.085 176.870 0.062 0.000 1.212 69 L CA 0.838 55.733 54.840 0.091 0.000 0.893 69 L CB 0.308 42.465 42.059 0.162 0.000 1.138 69 L HN 0.519 nan 8.230 nan 0.000 0.491 70 Q N 7.160 127.001 119.800 0.069 0.000 2.788 70 Q HA 0.279 4.620 4.340 0.001 0.000 0.261 70 Q C -1.883 174.145 176.000 0.047 0.000 1.029 70 Q CA -1.578 54.257 55.803 0.054 0.000 0.848 70 Q CB 1.163 29.940 28.738 0.064 0.000 1.185 70 Q HN 0.539 nan 8.270 nan 0.000 0.482 71 P HA -0.127 nan 4.420 nan 0.000 0.222 71 P C 0.616 177.913 177.300 -0.005 0.000 1.147 71 P CA 1.043 64.155 63.100 0.019 0.000 0.790 71 P CB 0.616 32.325 31.700 0.016 0.000 0.780 72 E N -0.499 119.693 120.200 -0.013 0.000 2.478 72 E HA -0.017 4.333 4.350 0.001 0.000 0.194 72 E C 0.927 177.478 176.600 -0.082 0.000 1.045 72 E CA 0.215 56.592 56.400 -0.037 0.000 0.868 72 E CB -0.139 29.546 29.700 -0.025 0.000 0.885 72 E HN 0.443 nan 8.360 nan 0.000 0.505 73 Q N 1.900 121.647 119.800 -0.088 0.000 2.406 73 Q HA 0.075 4.416 4.340 0.001 0.000 0.242 73 Q C -0.735 175.028 176.000 -0.395 0.000 1.036 73 Q CA -0.193 55.479 55.803 -0.218 0.000 0.904 73 Q CB 0.354 29.045 28.738 -0.079 0.000 1.244 73 Q HN -0.271 nan 8.270 nan 0.000 0.478 74 K N 4.055 124.137 120.400 -0.531 0.000 2.206 74 K HA 0.379 4.700 4.320 0.001 0.000 0.264 74 K C -0.818 175.405 176.600 -0.628 0.000 0.967 74 K CA -0.207 55.845 56.287 -0.392 0.000 0.844 74 K CB 1.204 33.600 32.500 -0.173 0.000 1.099 74 K HN 0.416 nan 8.250 nan 0.000 0.441 75 F N 0.327 120.302 119.950 0.042 0.000 3.114 75 F HA 0.176 4.704 4.527 0.001 0.000 0.195 75 F C 1.077 176.917 175.800 0.068 0.000 1.540 75 F CA -0.693 57.340 58.000 0.056 0.000 0.910 75 F CB -0.147 38.867 39.000 0.023 0.000 1.972 75 F HN 0.323 nan 8.300 nan 0.000 0.385 76 Q N 2.091 122.074 119.800 0.304 0.000 2.354 76 Q HA 0.269 4.609 4.340 0.001 0.000 0.244 76 Q C -1.363 174.730 176.000 0.155 0.000 0.969 76 Q CA -0.285 55.635 55.803 0.196 0.000 0.885 76 Q CB 1.291 30.132 28.738 0.172 0.000 1.241 76 Q HN 0.382 nan 8.270 nan 0.000 0.461 77 K N 0.737 121.214 120.400 0.129 0.000 2.143 77 K HA 0.388 4.709 4.320 0.001 0.000 0.272 77 K C -0.872 175.787 176.600 0.098 0.000 1.001 77 K CA -0.507 55.844 56.287 0.106 0.000 0.915 77 K CB 1.645 34.199 32.500 0.090 0.000 1.047 77 K HN 0.455 nan 8.250 nan 0.000 0.458 78 V N 4.091 124.055 119.914 0.083 0.000 2.498 78 V HA 0.080 4.200 4.120 0.001 0.000 0.279 78 V C 1.046 177.148 176.094 0.013 0.000 1.048 78 V CA -0.224 62.107 62.300 0.052 0.000 0.967 78 V CB 1.358 33.237 31.823 0.093 0.000 0.988 78 V HN 0.711 nan 8.190 nan 0.000 0.473 79 K N 3.663 124.053 120.400 -0.017 0.000 2.044 79 K HA 0.350 4.670 4.320 0.001 0.000 0.204 79 K C 0.706 177.220 176.600 -0.143 0.000 1.045 79 K CA 1.500 57.726 56.287 -0.102 0.000 0.951 79 K CB -0.100 32.337 32.500 -0.104 0.000 0.738 79 K HN 0.985 nan 8.250 nan 0.000 0.443 80 G N -2.100 106.600 108.800 -0.167 0.000 2.351 80 G HA2 0.283 4.244 3.960 0.001 0.000 0.279 80 G HA3 0.283 4.244 3.960 0.001 0.000 0.279 80 G C -1.581 173.049 174.900 -0.450 0.000 1.297 80 G CA -0.828 44.179 45.100 -0.156 0.000 0.886 80 G HN 0.008 nan 8.290 nan 0.000 0.493 81 F N -0.081 119.843 119.950 -0.043 0.000 2.578 81 F HA 0.859 5.387 4.527 0.001 0.000 0.311 81 F C 0.793 176.349 175.800 -0.405 0.000 1.094 81 F CA 0.406 58.323 58.000 -0.137 0.000 0.923 81 F CB 2.331 41.281 39.000 -0.085 0.000 1.230 81 F HN 1.186 nan 8.300 nan 0.000 0.450 82 G N -0.031 108.486 108.800 -0.472 0.000 2.529 82 G HA2 0.630 4.591 3.960 0.001 0.000 0.238 82 G HA3 0.630 4.591 3.960 0.001 0.000 0.238 82 G C -1.104 173.380 174.900 -0.693 0.000 1.207 82 G CA -0.024 44.442 45.100 -1.055 0.000 0.928 82 G HN 1.112 nan 8.290 nan 0.000 0.495 83 G N -1.686 106.929 108.800 -0.307 0.000 2.606 83 G HA2 0.734 4.695 3.960 0.001 0.000 0.300 83 G HA3 0.734 4.695 3.960 0.001 0.000 0.300 83 G C -1.362 173.564 174.900 0.044 0.000 1.360 83 G CA 0.491 45.545 45.100 -0.077 0.000 0.783 83 G HN 1.757 nan 8.290 nan 0.000 0.484 84 A N -0.249 122.609 122.820 0.063 0.000 2.288 84 A HA 0.634 4.955 4.320 0.001 0.000 0.320 84 A C -0.093 177.487 177.584 -0.007 0.000 1.217 84 A CA -0.607 51.494 52.037 0.107 0.000 0.840 84 A CB 1.242 20.405 19.000 0.271 0.000 1.179 84 A HN 0.735 nan 8.150 nan 0.000 0.504 85 M N 4.067 123.704 119.600 0.061 0.000 3.586 85 M HA 0.163 4.644 4.480 0.001 0.000 0.225 85 M C 0.856 177.156 176.300 0.000 0.000 1.428 85 M CA -0.101 55.219 55.300 0.033 0.000 1.613 85 M CB -1.081 31.571 32.600 0.087 0.000 1.063 85 M HN 0.781 nan 8.290 nan 0.000 0.593 86 T N -1.839 112.625 114.554 -0.149 0.000 2.748 86 T HA 0.141 4.491 4.350 0.001 0.000 0.304 86 T C 0.914 175.556 174.700 -0.097 0.000 1.041 86 T CA -0.499 61.477 62.100 -0.206 0.000 1.033 86 T CB 0.626 69.174 68.868 -0.532 0.000 0.995 86 T HN 0.453 nan 8.240 nan 0.000 0.536 87 D N 0.915 121.287 120.400 -0.046 0.000 2.104 87 D HA -0.085 4.556 4.640 0.001 0.000 0.194 87 D C 2.404 178.697 176.300 -0.012 0.000 0.994 87 D CA 1.852 55.862 54.000 0.017 0.000 0.830 87 D CB -0.930 39.914 40.800 0.073 0.000 0.959 87 D HN 0.741 nan 8.370 nan 0.000 0.452 88 A N 1.073 123.875 122.820 -0.030 0.000 1.883 88 A HA -0.119 4.201 4.320 0.001 0.000 0.217 88 A C 2.339 179.877 177.584 -0.077 0.000 1.186 88 A CA 2.672 54.696 52.037 -0.022 0.000 0.624 88 A CB -0.923 18.105 19.000 0.046 0.000 0.822 88 A HN 0.251 nan 8.150 nan 0.000 0.444 89 A N -0.196 122.534 122.820 -0.149 0.000 1.883 89 A HA 0.103 4.423 4.320 0.001 0.000 0.217 89 A C 2.553 180.104 177.584 -0.055 0.000 1.186 89 A CA 2.451 54.416 52.037 -0.121 0.000 0.624 89 A CB -1.167 17.747 19.000 -0.144 0.000 0.822 89 A HN 1.156 nan 8.150 nan 0.000 0.444 90 A N -0.230 122.568 122.820 -0.037 0.000 1.883 90 A HA -0.075 4.245 4.320 0.001 0.000 0.217 90 A C 2.198 179.773 177.584 -0.015 0.000 1.186 90 A CA 1.605 53.634 52.037 -0.013 0.000 0.624 90 A CB -0.695 18.306 19.000 0.003 0.000 0.822 90 A HN 0.494 nan 8.150 nan 0.000 0.444 91 L N -0.321 120.893 121.223 -0.014 0.000 2.017 91 L HA -0.224 4.117 4.340 0.001 0.000 0.208 91 L C 2.432 179.294 176.870 -0.014 0.000 1.073 91 L CA 1.472 56.307 54.840 -0.009 0.000 0.745 91 L CB -0.783 41.276 42.059 0.000 0.000 0.894 91 L HN 0.413 nan 8.230 nan 0.000 0.432 92 N N 0.351 119.039 118.700 -0.021 0.000 2.166 92 N HA -0.135 4.606 4.740 0.001 0.000 0.186 92 N C 1.940 177.429 175.510 -0.035 0.000 1.019 92 N CA 1.452 54.487 53.050 -0.024 0.000 0.856 92 N CB -0.102 38.366 38.487 -0.032 0.000 0.993 92 N HN 0.364 nan 8.380 nan 0.000 0.426 93 I N 1.012 121.556 120.570 -0.043 0.000 2.252 93 I HA -0.181 3.990 4.170 0.001 0.000 0.245 93 I C 1.832 177.924 176.117 -0.041 0.000 1.102 93 I CA 0.783 62.047 61.300 -0.060 0.000 1.385 93 I CB -0.133 37.839 38.000 -0.047 0.000 1.064 93 I HN 0.018 nan 8.210 nan 0.000 0.414 94 L N 0.531 121.739 121.223 -0.024 0.000 2.552 94 L HA -0.002 4.338 4.340 0.001 0.000 0.227 94 L C 2.511 179.375 176.870 -0.010 0.000 1.146 94 L CA 0.261 55.092 54.840 -0.016 0.000 0.858 94 L CB -0.446 41.606 42.059 -0.012 0.000 0.969 94 L HN 0.197 nan 8.230 nan 0.000 0.451 95 A N -0.180 122.634 122.820 -0.011 0.000 2.067 95 A HA 0.103 4.424 4.320 0.001 0.000 0.217 95 A C 1.163 178.748 177.584 0.002 0.000 1.156 95 A CA 0.335 52.370 52.037 -0.003 0.000 0.683 95 A CB -0.180 18.820 19.000 -0.001 0.000 0.808 95 A HN 0.256 nan 8.150 nan 0.000 0.455 96 L N 0.754 121.977 121.223 -0.001 0.000 2.456 96 L HA 0.250 4.590 4.340 0.001 0.000 0.257 96 L C 1.054 177.931 176.870 0.013 0.000 1.162 96 L CA -0.463 54.385 54.840 0.014 0.000 0.808 96 L CB 0.964 43.035 42.059 0.019 0.000 1.136 96 L HN 0.346 nan 8.230 nan 0.000 0.466 97 S N 0.394 116.108 115.700 0.023 0.000 2.579 97 S HA 0.167 4.638 4.470 0.001 0.000 0.275 97 S C -1.951 172.661 174.600 0.019 0.000 1.345 97 S CA -1.035 57.177 58.200 0.019 0.000 1.031 97 S CB 0.878 64.092 63.200 0.022 0.000 0.892 97 S HN 0.401 nan 8.310 nan 0.000 0.529 98 P HA -0.037 nan 4.420 nan 0.000 0.216 98 P C -1.551 175.760 177.300 0.018 0.000 1.153 98 P CA 1.336 64.442 63.100 0.011 0.000 0.858 98 P CB -1.130 30.575 31.700 0.008 0.000 0.789 99 P HA -0.102 nan 4.420 nan 0.000 0.218 99 P C 1.397 178.730 177.300 0.054 0.000 1.149 99 P CA 1.715 64.834 63.100 0.033 0.000 0.817 99 P CB -0.589 31.130 31.700 0.031 0.000 0.785 100 A N -0.254 122.610 122.820 0.072 0.000 1.898 100 A HA -0.235 4.085 4.320 0.001 0.000 0.216 100 A C 2.247 179.875 177.584 0.073 0.000 1.181 100 A CA 1.396 53.521 52.037 0.147 0.000 0.620 100 A CB -1.306 17.802 19.000 0.181 0.000 0.819 100 A HN 0.146 nan 8.150 nan 0.000 0.442 101 Q N -0.130 119.671 119.800 0.002 0.000 2.096 101 Q HA -0.238 4.103 4.340 0.001 0.000 0.208 101 Q C 1.836 177.808 176.000 -0.047 0.000 0.993 101 Q CA 1.747 57.516 55.803 -0.056 0.000 0.862 101 Q CB -0.306 28.417 28.738 -0.025 0.000 0.915 101 Q HN 0.623 nan 8.270 nan 0.000 0.416 102 N N 0.343 119.042 118.700 -0.000 0.000 2.166 102 N HA -0.100 4.641 4.740 0.001 0.000 0.186 102 N C 1.749 177.274 175.510 0.024 0.000 1.019 102 N CA 0.918 53.977 53.050 0.016 0.000 0.856 102 N CB -0.142 38.358 38.487 0.023 0.000 0.993 102 N HN 0.234 nan 8.380 nan 0.000 0.426 103 L N 0.393 121.643 121.223 0.046 0.000 2.141 103 L HA -0.045 4.295 4.340 0.001 0.000 0.209 103 L C 2.307 179.203 176.870 0.043 0.000 1.094 103 L CA 0.451 55.347 54.840 0.094 0.000 0.763 103 L CB -0.228 41.948 42.059 0.194 0.000 0.908 103 L HN 0.152 nan 8.230 nan 0.000 0.437 104 L N -0.407 120.684 121.223 -0.219 0.000 2.005 104 L HA -0.205 4.136 4.340 0.001 0.000 0.207 104 L C 2.463 179.226 176.870 -0.178 0.000 1.072 104 L CA 1.281 55.775 54.840 -0.576 0.000 0.744 104 L CB -0.058 41.432 42.059 -0.948 0.000 0.895 104 L HN 0.170 nan 8.230 nan 0.000 0.433 105 L N -0.294 120.927 121.223 -0.004 0.000 2.046 105 L HA -0.259 4.082 4.340 0.001 0.000 0.208 105 L C 2.622 179.650 176.870 0.263 0.000 1.077 105 L CA 1.452 56.428 54.840 0.226 0.000 0.747 105 L CB -0.528 41.629 42.059 0.163 0.000 0.896 105 L HN 0.248 nan 8.230 nan 0.000 0.432 106 K N -0.424 120.053 120.400 0.128 0.000 2.097 106 K HA -0.105 4.215 4.320 0.001 0.000 0.205 106 K C 2.292 178.948 176.600 0.093 0.000 1.050 106 K CA 1.406 57.765 56.287 0.120 0.000 0.938 106 K CB -0.083 32.462 32.500 0.074 0.000 0.718 106 K HN 0.158 nan 8.250 nan 0.000 0.442 107 S N 0.211 115.926 115.700 0.026 0.000 2.383 107 S HA -0.151 4.319 4.470 0.001 0.000 0.229 107 S C 1.732 176.355 174.600 0.039 0.000 1.030 107 S CA 1.248 59.457 58.200 0.015 0.000 1.002 107 S CB -0.254 62.828 63.200 -0.196 0.000 0.829 107 S HN 0.340 nan 8.310 nan 0.000 0.467 108 Y N -0.847 119.369 120.300 -0.140 0.000 2.231 108 Y HA 0.071 4.621 4.550 0.001 0.000 0.294 108 Y C 1.709 177.184 175.900 -0.709 0.000 1.120 108 Y CA 0.760 58.452 58.100 -0.680 0.000 1.141 108 Y CB 0.016 37.885 38.460 -0.984 0.000 1.022 108 Y HN 0.207 nan 8.280 nan 0.000 0.523 109 F N -1.023 118.996 119.950 0.114 0.000 2.678 109 F HA 0.080 4.608 4.527 0.001 0.000 0.291 109 F C 1.318 177.157 175.800 0.064 0.000 1.123 109 F CA -0.212 57.852 58.000 0.106 0.000 1.395 109 F CB 0.060 39.126 39.000 0.109 0.000 1.121 109 F HN -0.195 nan 8.300 nan 0.000 0.592 110 S N 0.067 115.880 115.700 0.189 0.000 2.672 110 S HA 0.093 4.563 4.470 0.001 0.000 0.276 110 S C 1.172 175.811 174.600 0.064 0.000 1.207 110 S CA -0.481 57.794 58.200 0.125 0.000 1.002 110 S CB 1.369 64.637 63.200 0.113 0.000 0.998 110 S HN 0.397 nan 8.310 nan 0.000 0.542 111 E N 0.533 120.760 120.200 0.046 0.000 2.265 111 E HA -0.198 4.152 4.350 0.001 0.000 0.196 111 E C 1.210 177.837 176.600 0.046 0.000 0.996 111 E CA 1.235 57.638 56.400 0.005 0.000 0.832 111 E CB -0.189 29.517 29.700 0.009 0.000 0.756 111 E HN 0.852 nan 8.360 nan 0.000 0.491 112 E N 0.088 120.349 120.200 0.101 0.000 2.427 112 E HA 0.032 4.382 4.350 0.001 0.000 0.196 112 E C 0.938 177.709 176.600 0.285 0.000 1.028 112 E CA 0.461 56.967 56.400 0.176 0.000 0.864 112 E CB 0.454 30.214 29.700 0.100 0.000 0.813 112 E HN 0.342 nan 8.360 nan 0.000 0.514 113 G N 0.926 109.850 108.800 0.206 0.000 3.194 113 G HA2 0.324 4.284 3.960 0.001 0.000 0.160 113 G HA3 0.324 4.284 3.960 0.001 0.000 0.160 113 G C 0.602 175.547 174.900 0.074 0.000 1.267 113 G CA -0.408 44.837 45.100 0.241 0.000 0.962 113 G HN 0.188 nan 8.290 nan 0.000 0.612 114 I N -2.319 118.193 120.570 -0.097 0.000 3.974 114 I HA 0.494 4.664 4.170 0.001 0.000 0.334 114 I C 1.141 177.099 176.117 -0.264 0.000 1.437 114 I CA 0.305 61.407 61.300 -0.330 0.000 1.113 114 I CB 0.449 38.141 38.000 -0.513 0.000 1.063 114 I HN 0.794 nan 8.210 nan 0.000 0.400 115 G N 1.471 110.187 108.800 -0.140 0.000 2.273 115 G HA2 -0.323 3.637 3.960 0.001 0.000 0.280 115 G HA3 -0.323 3.637 3.960 0.001 0.000 0.280 115 G C 0.043 175.010 174.900 0.112 0.000 1.047 115 G CA -0.043 45.040 45.100 -0.029 0.000 0.869 115 G HN 0.661 nan 8.290 nan 0.000 0.502 116 Y N 0.179 120.408 120.300 -0.119 0.000 2.903 116 Y HA -0.022 4.529 4.550 0.001 0.000 0.338 116 Y C 1.660 177.643 175.900 0.139 0.000 1.265 116 Y CA 0.655 58.707 58.100 -0.080 0.000 1.532 116 Y CB 0.493 38.662 38.460 -0.485 0.000 1.293 116 Y HN 0.515 nan 8.280 nan 0.000 0.609 117 N N 2.792 121.633 118.700 0.235 0.000 2.232 117 N HA 0.198 4.939 4.740 0.001 0.000 0.240 117 N C -0.984 174.585 175.510 0.098 0.000 1.307 117 N CA 0.118 53.274 53.050 0.176 0.000 0.859 117 N CB 0.269 38.811 38.487 0.090 0.000 1.260 117 N HN 0.482 nan 8.380 nan 0.000 0.501 118 I N 1.000 121.640 120.570 0.115 0.000 2.656 118 I HA 0.464 4.635 4.170 0.001 0.000 0.292 118 I C -1.053 175.156 176.117 0.154 0.000 1.144 118 I CA -0.817 60.540 61.300 0.095 0.000 1.038 118 I CB 2.450 40.497 38.000 0.078 0.000 1.244 118 I HN -0.168 nan 8.210 nan 0.000 0.420 119 I N 5.147 125.824 120.570 0.177 0.000 2.439 119 I HA 0.414 4.584 4.170 0.001 0.000 0.285 119 I C -0.112 176.136 176.117 0.217 0.000 1.021 119 I CA -0.527 60.887 61.300 0.191 0.000 1.091 119 I CB 1.930 40.027 38.000 0.162 0.000 1.242 119 I HN 0.512 nan 8.210 nan 0.000 0.439 120 R N 5.213 125.852 120.500 0.232 0.000 2.390 120 R HA 0.600 4.941 4.340 0.001 0.000 0.291 120 R C -1.294 175.190 176.300 0.307 0.000 1.070 120 R CA -0.285 55.990 56.100 0.292 0.000 1.014 120 R CB 1.039 31.515 30.300 0.294 0.000 1.007 120 R HN 0.459 nan 8.270 nan 0.000 0.466 121 V N 7.314 127.440 119.914 0.353 0.000 2.407 121 V HA 0.332 4.452 4.120 0.001 0.000 0.291 121 V C -2.235 174.037 176.094 0.296 0.000 1.018 121 V CA -2.202 60.303 62.300 0.342 0.000 0.842 121 V CB 1.599 33.694 31.823 0.453 0.000 0.996 121 V HN 0.839 nan 8.190 nan 0.000 0.426 122 P HA 0.264 nan 4.420 nan 0.000 0.271 122 P C -0.422 176.967 177.300 0.148 0.000 1.216 122 P CA -0.121 63.139 63.100 0.267 0.000 0.776 122 P CB 0.443 32.139 31.700 -0.006 0.000 0.881 123 M N 3.002 122.616 119.600 0.024 0.000 2.151 123 M HA 0.434 4.915 4.480 0.001 0.000 0.349 123 M C 0.745 177.016 176.300 -0.048 0.000 1.284 123 M CA 0.186 55.444 55.300 -0.070 0.000 1.173 123 M CB -0.303 32.004 32.600 -0.489 0.000 1.469 123 M HN 0.598 nan 8.290 nan 0.000 0.439 124 A N 1.935 124.620 122.820 -0.225 0.000 5.821 124 A HA -0.184 4.136 4.320 0.001 0.000 0.282 124 A C 0.327 177.604 177.584 -0.512 0.000 2.032 124 A CA 0.659 52.317 52.037 -0.631 0.000 0.715 124 A CB -1.783 16.561 19.000 -1.093 0.000 1.178 124 A HN 0.910 nan 8.150 nan 0.000 0.370 125 S N -0.283 114.883 115.700 -0.890 0.000 2.610 125 S HA 0.651 5.121 4.470 0.001 0.000 0.273 125 S C 0.416 174.789 174.600 -0.377 0.000 1.274 125 S CA 0.194 57.966 58.200 -0.714 0.000 1.023 125 S CB 0.759 63.381 63.200 -0.965 0.000 0.962 125 S HN 2.514 nan 8.310 nan 0.000 0.523 126 C N 0.503 119.609 119.300 -0.323 0.000 3.301 126 C HA 0.647 5.107 4.460 0.001 0.000 0.367 126 C C 1.389 176.387 174.990 0.014 0.000 1.980 126 C CA -0.005 58.770 59.018 -0.406 0.000 1.349 126 C CB 0.555 27.478 27.740 -1.362 0.000 2.412 126 C HN 0.873 nan 8.230 nan 0.000 0.451 127 D N 0.785 121.146 120.400 -0.065 0.000 2.144 127 D HA -0.150 4.490 4.640 0.001 0.000 0.199 127 D C 0.712 176.801 176.300 -0.351 0.000 0.984 127 D CA 1.300 55.126 54.000 -0.289 0.000 0.834 127 D CB -0.546 39.779 40.800 -0.791 0.000 0.955 127 D HN 0.614 nan 8.370 nan 0.000 0.465 128 F N 1.303 121.164 119.950 -0.148 0.000 2.783 128 F HA 0.263 4.790 4.527 0.001 0.000 0.338 128 F C 0.422 176.155 175.800 -0.112 0.000 1.178 128 F CA -0.047 57.836 58.000 -0.194 0.000 1.343 128 F CB -0.052 38.704 39.000 -0.407 0.000 1.496 128 F HN -0.238 nan 8.300 nan 0.000 0.583 129 S N 0.294 116.065 115.700 0.118 0.000 2.627 129 S HA 0.486 4.956 4.470 0.001 0.000 0.283 129 S C 0.684 175.394 174.600 0.182 0.000 1.127 129 S CA -0.753 57.532 58.200 0.142 0.000 0.863 129 S CB 1.850 65.118 63.200 0.113 0.000 1.121 129 S HN 0.368 nan 8.310 nan 0.000 0.479 130 I N -0.993 119.650 120.570 0.123 0.000 3.928 130 I HA 0.422 4.593 4.170 0.001 0.000 0.335 130 I C 0.232 176.371 176.117 0.037 0.000 1.325 130 I CA -0.320 61.040 61.300 0.100 0.000 1.107 130 I CB -0.247 37.789 38.000 0.060 0.000 1.014 130 I HN 0.502 nan 8.210 nan 0.000 0.400 131 R N 0.292 120.770 120.500 -0.036 0.000 2.712 131 R HA 0.480 4.821 4.340 0.001 0.000 0.272 131 R C -0.821 175.266 176.300 -0.355 0.000 1.032 131 R CA -0.574 55.414 56.100 -0.186 0.000 0.874 131 R CB 0.473 30.740 30.300 -0.054 0.000 1.256 131 R HN 0.077 nan 8.270 nan 0.000 0.468 132 T N -0.625 113.607 114.554 -0.538 0.000 2.806 132 T HA 0.630 4.981 4.350 0.001 0.000 0.290 132 T C -0.485 174.129 174.700 -0.142 0.000 0.966 132 T CA -0.461 61.336 62.100 -0.505 0.000 1.060 132 T CB 0.453 68.945 68.868 -0.626 0.000 0.927 132 T HN 0.647 nan 8.240 nan 0.000 0.485 133 Y N -0.635 119.536 120.300 -0.214 0.000 2.677 133 Y HA 0.726 5.276 4.550 0.001 0.000 0.334 133 Y C -0.535 175.271 175.900 -0.157 0.000 1.196 133 Y CA -1.074 56.935 58.100 -0.151 0.000 1.059 133 Y CB 0.859 39.242 38.460 -0.129 0.000 1.315 133 Y HN 0.950 nan 8.280 nan 0.000 0.455 134 T N -2.648 111.872 114.554 -0.056 0.000 2.831 134 T HA 0.407 4.758 4.350 0.001 0.000 0.287 134 T C -0.487 174.249 174.700 0.059 0.000 1.070 134 T CA -0.697 61.324 62.100 -0.132 0.000 1.010 134 T CB 1.049 69.889 68.868 -0.047 0.000 1.264 134 T HN 0.772 nan 8.240 nan 0.000 0.532 135 Y N 0.028 120.462 120.300 0.224 0.000 2.546 135 Y HA 0.480 5.031 4.550 0.001 0.000 0.287 135 Y C 1.560 177.383 175.900 -0.127 0.000 1.158 135 Y CA -0.036 57.963 58.100 -0.169 0.000 1.307 135 Y CB 0.380 38.328 38.460 -0.854 0.000 1.036 135 Y HN 0.808 nan 8.280 nan 0.000 0.532 136 A N -0.375 122.668 122.820 0.371 0.000 3.300 136 A HA 0.269 4.589 4.320 0.001 0.000 0.300 136 A C -0.336 177.551 177.584 0.504 0.000 1.099 136 A CA -0.469 51.844 52.037 0.460 0.000 0.846 136 A CB -0.098 19.324 19.000 0.704 0.000 1.255 136 A HN 0.111 nan 8.150 nan 0.000 0.519 137 D N 0.412 121.025 120.400 0.355 0.000 2.346 137 D HA 0.022 4.663 4.640 0.001 0.000 0.206 137 D C 0.405 176.890 176.300 0.308 0.000 1.001 137 D CA 0.977 55.178 54.000 0.336 0.000 0.871 137 D CB 0.403 41.312 40.800 0.182 0.000 0.943 137 D HN 0.434 nan 8.370 nan 0.000 0.518 138 T N 4.687 119.363 114.554 0.203 0.000 2.765 138 T HA 0.086 4.436 4.350 0.001 0.000 0.284 138 T C -2.309 172.200 174.700 -0.318 0.000 0.946 138 T CA -0.952 61.149 62.100 0.002 0.000 1.185 138 T CB 0.965 69.840 68.868 0.011 0.000 0.887 138 T HN 0.080 nan 8.240 nan 0.000 0.532 139 P HA 0.044 nan 4.420 nan 0.000 0.267 139 P C 0.031 176.537 177.300 -1.323 0.000 1.200 139 P CA -0.027 62.370 63.100 -1.172 0.000 0.772 139 P CB 0.382 31.813 31.700 -0.449 0.000 0.855 140 D N -0.847 118.358 120.400 -1.992 0.000 2.689 140 D HA -0.200 4.440 4.640 0.001 0.000 0.237 140 D C -0.200 175.558 176.300 -0.903 0.000 1.148 140 D CA 1.104 54.375 54.000 -1.214 0.000 0.656 140 D CB -1.686 38.968 40.800 -0.243 0.000 1.050 140 D HN 0.495 nan 8.370 nan 0.000 0.426 141 D N -0.668 118.956 120.400 -1.294 0.000 2.622 141 D HA 0.206 4.847 4.640 0.001 0.000 0.262 141 D C 0.802 177.158 176.300 0.094 0.000 1.189 141 D CA -0.654 53.165 54.000 -0.302 0.000 0.985 141 D CB -0.481 40.275 40.800 -0.073 0.000 0.994 141 D HN 0.032 nan 8.370 nan 0.000 0.513 142 F N 0.474 120.573 119.950 0.247 0.000 2.293 142 F HA -0.066 4.461 4.527 0.001 0.000 0.300 142 F C 2.137 178.089 175.800 0.252 0.000 1.086 142 F CA 0.684 58.891 58.000 0.344 0.000 1.375 142 F CB 0.226 39.347 39.000 0.201 0.000 1.045 142 F HN 0.264 nan 8.300 nan 0.000 0.516 143 Q N 0.287 120.278 119.800 0.318 0.000 2.320 143 Q HA 0.193 4.534 4.340 0.001 0.000 0.201 143 Q C 0.660 176.651 176.000 -0.015 0.000 0.910 143 Q CA 0.069 55.934 55.803 0.103 0.000 0.946 143 Q CB -0.227 28.503 28.738 -0.013 0.000 1.062 143 Q HN 0.477 nan 8.270 nan 0.000 0.503 144 L N 0.780 122.116 121.223 0.189 0.000 3.677 144 L HA -0.304 4.037 4.340 0.001 0.000 0.464 144 L C 0.674 177.643 176.870 0.165 0.000 1.278 144 L CA 0.074 55.076 54.840 0.269 0.000 0.806 144 L CB -1.925 40.318 42.059 0.307 0.000 1.610 144 L HN 0.359 nan 8.230 nan 0.000 0.867 145 H N -0.510 118.688 119.070 0.214 0.000 2.428 145 H HA 0.009 4.566 4.556 0.001 0.000 0.296 145 H C 1.732 177.168 175.328 0.179 0.000 1.062 145 H CA 1.627 57.773 56.048 0.164 0.000 1.350 145 H CB 0.216 30.048 29.762 0.117 0.000 1.403 145 H HN 0.480 nan 8.280 nan 0.000 0.533 146 N N 0.356 119.246 118.700 0.316 0.000 2.268 146 N HA -0.038 4.702 4.740 0.001 0.000 0.204 146 N C -0.427 175.249 175.510 0.277 0.000 1.124 146 N CA -0.076 53.122 53.050 0.247 0.000 0.838 146 N CB -0.096 38.501 38.487 0.183 0.000 0.994 146 N HN 0.184 nan 8.380 nan 0.000 0.489 147 F N 2.906 122.971 119.950 0.192 0.000 2.590 147 F HA -0.003 4.525 4.527 0.001 0.000 0.389 147 F C 0.691 176.566 175.800 0.125 0.000 1.049 147 F CA -0.057 58.049 58.000 0.178 0.000 1.199 147 F CB 0.332 39.401 39.000 0.115 0.000 1.058 147 F HN -0.044 nan 8.300 nan 0.000 0.556 148 S N 5.991 121.533 115.700 -0.262 0.000 2.565 148 S HA 0.573 5.043 4.470 0.001 0.000 0.269 148 S C -1.234 173.245 174.600 -0.201 0.000 1.153 148 S CA -1.281 56.837 58.200 -0.137 0.000 0.835 148 S CB 1.155 64.370 63.200 0.025 0.000 1.122 148 S HN 0.645 nan 8.310 nan 0.000 0.462 149 L N 2.709 123.874 121.223 -0.096 0.000 2.319 149 L HA 0.433 4.774 4.340 0.001 0.000 0.280 149 L C -1.591 175.301 176.870 0.036 0.000 1.099 149 L CA -1.520 53.314 54.840 -0.010 0.000 0.828 149 L CB 0.290 42.312 42.059 -0.062 0.000 1.150 149 L HN 0.612 nan 8.230 nan 0.000 0.442 150 P HA 0.050 nan 4.420 nan 0.000 0.297 150 P C 0.358 177.613 177.300 -0.075 0.000 1.303 150 P CA -0.473 62.590 63.100 -0.063 0.000 0.753 150 P CB 0.878 32.427 31.700 -0.251 0.000 1.281 151 E N -0.223 119.908 120.200 -0.116 0.000 2.153 151 E HA -0.210 4.140 4.350 0.001 0.000 0.194 151 E C 1.531 178.082 176.600 -0.081 0.000 0.988 151 E CA 1.153 57.498 56.400 -0.090 0.000 0.811 151 E CB -0.030 29.615 29.700 -0.091 0.000 0.746 151 E HN 0.325 nan 8.360 nan 0.000 0.466 152 E N 0.779 120.911 120.200 -0.114 0.000 2.118 152 E HA -0.192 4.158 4.350 0.001 0.000 0.195 152 E C 1.409 178.031 176.600 0.038 0.000 0.992 152 E CA 1.924 58.303 56.400 -0.035 0.000 0.804 152 E CB 0.004 29.695 29.700 -0.016 0.000 0.741 152 E HN 0.393 nan 8.360 nan 0.000 0.458 153 D N -1.399 119.035 120.400 0.057 0.000 2.214 153 D HA -0.078 4.562 4.640 0.001 0.000 0.217 153 D C 1.996 178.205 176.300 -0.151 0.000 0.973 153 D CA 1.805 55.830 54.000 0.042 0.000 0.880 153 D CB -0.232 40.650 40.800 0.136 0.000 1.031 153 D HN 0.232 nan 8.370 nan 0.000 0.468 154 T N -1.434 113.013 114.554 -0.178 0.000 2.951 154 T HA -0.062 4.288 4.350 0.001 0.000 0.268 154 T C 1.696 176.322 174.700 -0.123 0.000 1.073 154 T CA 0.847 62.805 62.100 -0.236 0.000 1.134 154 T CB 0.058 68.852 68.868 -0.123 0.000 0.884 154 T HN -0.037 nan 8.240 nan 0.000 0.479 155 K N 0.001 120.355 120.400 -0.075 0.000 2.313 155 K HA 0.303 4.623 4.320 0.001 0.000 0.197 155 K C 1.891 178.470 176.600 -0.034 0.000 1.061 155 K CA 0.119 56.379 56.287 -0.045 0.000 0.980 155 K CB 0.189 32.667 32.500 -0.036 0.000 0.888 155 K HN 0.360 nan 8.250 nan 0.000 0.502 156 L N -0.027 121.178 121.223 -0.031 0.000 2.416 156 L HA 0.098 4.438 4.340 0.001 0.000 0.188 156 L C 2.215 179.081 176.870 -0.007 0.000 1.145 156 L CA 0.400 55.232 54.840 -0.013 0.000 0.826 156 L CB -0.462 41.596 42.059 -0.002 0.000 1.064 156 L HN -0.113 nan 8.230 nan 0.000 0.490 157 K N 0.682 121.091 120.400 0.014 0.000 2.001 157 K HA -0.058 4.262 4.320 0.001 0.000 0.208 157 K C 2.059 178.656 176.600 -0.005 0.000 1.048 157 K CA 1.412 57.727 56.287 0.046 0.000 0.932 157 K CB -0.145 32.445 32.500 0.151 0.000 0.715 157 K HN 0.141 nan 8.250 nan 0.000 0.437 158 I N 0.889 121.406 120.570 -0.088 0.000 2.179 158 I HA -0.195 3.975 4.170 0.001 0.000 0.242 158 I C -1.025 175.032 176.117 -0.099 0.000 1.088 158 I CA 1.105 62.283 61.300 -0.204 0.000 1.357 158 I CB -0.857 36.874 38.000 -0.448 0.000 1.051 158 I HN 0.097 nan 8.210 nan 0.000 0.409 159 P HA -0.122 nan 4.420 nan 0.000 0.218 159 P C 1.905 179.226 177.300 0.036 0.000 1.149 159 P CA 1.312 64.456 63.100 0.074 0.000 0.817 159 P CB 0.062 31.780 31.700 0.030 0.000 0.785 160 L N -1.377 119.840 121.223 -0.010 0.000 2.072 160 L HA -0.121 4.219 4.340 0.001 0.000 0.205 160 L C 2.370 179.190 176.870 -0.083 0.000 1.079 160 L CA 1.219 56.043 54.840 -0.027 0.000 0.752 160 L CB -0.731 41.320 42.059 -0.013 0.000 0.906 160 L HN -0.084 nan 8.230 nan 0.000 0.436 161 I N -0.927 119.576 120.570 -0.111 0.000 2.163 161 I HA -0.363 3.808 4.170 0.001 0.000 0.243 161 I C 2.654 178.641 176.117 -0.216 0.000 1.085 161 I CA 1.230 62.413 61.300 -0.195 0.000 1.347 161 I CB -0.596 37.298 38.000 -0.177 0.000 1.044 161 I HN 0.324 nan 8.210 nan 0.000 0.408 162 H N 0.995 120.005 119.070 -0.100 0.000 2.352 162 H HA -0.134 4.422 4.556 0.001 0.000 0.299 162 H C 2.503 177.769 175.328 -0.102 0.000 1.097 162 H CA 1.577 57.572 56.048 -0.089 0.000 1.311 162 H CB -0.246 29.479 29.762 -0.061 0.000 1.377 162 H HN 0.337 nan 8.280 nan 0.000 0.504 163 R N 0.178 120.693 120.500 0.025 0.000 2.115 163 R HA -0.005 4.335 4.340 0.001 0.000 0.230 163 R C 2.539 178.787 176.300 -0.086 0.000 1.111 163 R CA 0.885 56.975 56.100 -0.017 0.000 0.976 163 R CB -0.079 30.216 30.300 -0.008 0.000 0.870 163 R HN 0.214 nan 8.270 nan 0.000 0.445 164 A N 1.215 123.900 122.820 -0.224 0.000 1.898 164 A HA -0.073 4.247 4.320 0.001 0.000 0.216 164 A C 2.122 179.479 177.584 -0.378 0.000 1.181 164 A CA 0.954 52.691 52.037 -0.499 0.000 0.620 164 A CB -0.409 17.869 19.000 -1.202 0.000 0.819 164 A HN 0.140 nan 8.150 nan 0.000 0.442 165 L N -0.770 120.294 121.223 -0.265 0.000 2.093 165 L HA -0.241 4.099 4.340 0.001 0.000 0.208 165 L C 2.775 179.619 176.870 -0.042 0.000 1.085 165 L CA 1.561 56.325 54.840 -0.128 0.000 0.755 165 L CB -0.953 41.054 42.059 -0.088 0.000 0.904 165 L HN 0.516 nan 8.230 nan 0.000 0.435 166 Q N 0.098 119.883 119.800 -0.025 0.000 2.170 166 Q HA -0.154 4.187 4.340 0.001 0.000 0.203 166 Q C 2.278 178.287 176.000 0.014 0.000 0.976 166 Q CA 1.181 56.985 55.803 0.002 0.000 0.858 166 Q CB -0.070 28.671 28.738 0.004 0.000 0.907 166 Q HN 0.545 nan 8.270 nan 0.000 0.433 167 L N 0.132 121.365 121.223 0.017 0.000 2.341 167 L HA 0.127 4.468 4.340 0.001 0.000 0.214 167 L C 0.970 177.893 176.870 0.088 0.000 1.115 167 L CA -0.466 54.409 54.840 0.058 0.000 0.820 167 L CB -0.267 41.845 42.059 0.088 0.000 0.944 167 L HN 0.031 nan 8.230 nan 0.000 0.452 168 A N 0.281 123.151 122.820 0.083 0.000 2.540 168 A HA -0.082 4.238 4.320 0.001 0.000 0.239 168 A C 1.334 178.976 177.584 0.098 0.000 1.061 168 A CA 0.056 52.174 52.037 0.135 0.000 0.758 168 A CB 0.404 19.474 19.000 0.118 0.000 0.991 168 A HN 0.396 nan 8.150 nan 0.000 0.502 169 Q N 1.458 121.322 119.800 0.106 0.000 2.096 169 Q HA -0.160 4.180 4.340 0.001 0.000 0.204 169 Q C 0.407 176.441 176.000 0.057 0.000 0.982 169 Q CA 1.592 57.436 55.803 0.069 0.000 0.850 169 Q CB 0.076 28.844 28.738 0.050 0.000 0.901 169 Q HN 0.798 nan 8.270 nan 0.000 0.422 170 R N -0.287 120.252 120.500 0.066 0.000 2.888 170 R HA 0.457 4.797 4.340 0.001 0.000 0.266 170 R C -2.625 173.701 176.300 0.042 0.000 1.020 170 R CA -2.204 53.923 56.100 0.046 0.000 0.963 170 R CB 1.082 31.407 30.300 0.042 0.000 1.197 170 R HN 0.002 nan 8.270 nan 0.000 0.481 171 P HA 0.014 nan 4.420 nan 0.000 0.265 171 P C -0.908 176.394 177.300 0.003 0.000 1.193 171 P CA -0.081 63.022 63.100 0.005 0.000 0.765 171 P CB 0.490 32.184 31.700 -0.011 0.000 0.823 172 V N 3.304 123.219 119.914 0.002 0.000 2.427 172 V HA 0.272 4.393 4.120 0.001 0.000 0.286 172 V C 0.358 176.433 176.094 -0.033 0.000 1.034 172 V CA -0.203 62.104 62.300 0.012 0.000 0.893 172 V CB 1.627 33.464 31.823 0.023 0.000 0.982 172 V HN 0.460 nan 8.190 nan 0.000 0.452 173 S N 5.584 121.253 115.700 -0.052 0.000 2.442 173 S HA 0.622 5.092 4.470 0.001 0.000 0.297 173 S C -0.336 174.301 174.600 0.063 0.000 1.131 173 S CA -0.488 57.684 58.200 -0.048 0.000 1.092 173 S CB 0.719 63.740 63.200 -0.298 0.000 0.998 173 S HN 0.492 nan 8.310 nan 0.000 0.478 174 L N 3.722 124.966 121.223 0.035 0.000 2.326 174 L HA 0.552 4.893 4.340 0.001 0.000 0.278 174 L C -0.523 176.563 176.870 0.361 0.000 1.092 174 L CA -0.755 54.065 54.840 -0.034 0.000 0.810 174 L CB 0.701 42.331 42.059 -0.715 0.000 1.153 174 L HN 0.420 nan 8.230 nan 0.000 0.439 175 L N 3.380 124.896 121.223 0.488 0.000 2.381 175 L HA 0.787 5.127 4.340 0.001 0.000 0.274 175 L C -0.381 176.761 176.870 0.453 0.000 0.988 175 L CA -0.153 54.974 54.840 0.477 0.000 0.824 175 L CB 1.564 43.842 42.059 0.366 0.000 1.263 175 L HN 0.644 nan 8.230 nan 0.000 0.410 176 A N 3.240 126.157 122.820 0.162 0.000 2.312 176 A HA 0.913 5.234 4.320 0.001 0.000 0.328 176 A C -0.610 176.897 177.584 -0.128 0.000 1.158 176 A CA -0.407 51.543 52.037 -0.145 0.000 0.821 176 A CB 0.917 19.458 19.000 -0.765 0.000 1.170 176 A HN 0.743 nan 8.150 nan 0.000 0.490 177 S N 2.566 118.223 115.700 -0.071 0.000 2.572 177 S HA 0.661 5.131 4.470 0.001 0.000 0.274 177 S C -3.089 171.531 174.600 0.035 0.000 1.150 177 S CA -0.840 57.332 58.200 -0.048 0.000 0.944 177 S CB 2.205 65.382 63.200 -0.037 0.000 1.071 177 S HN 0.647 nan 8.310 nan 0.000 0.479 178 P HA 0.299 nan 4.420 nan 0.000 0.286 178 P C 0.043 177.464 177.300 0.202 0.000 1.261 178 P CA -0.648 62.529 63.100 0.128 0.000 0.821 178 P CB 1.147 32.897 31.700 0.084 0.000 1.013 179 W N 0.678 122.005 121.300 0.045 0.000 2.678 179 W HA 0.061 4.721 4.660 0.001 0.000 0.282 179 W C 0.631 177.162 176.519 0.020 0.000 1.137 179 W CA 0.718 58.099 57.345 0.060 0.000 1.515 179 W CB 0.419 29.931 29.460 0.086 0.000 1.101 179 W HN 0.242 nan 8.180 nan 0.000 0.564 180 T N 0.075 114.736 114.554 0.179 0.000 2.903 180 T HA 0.319 4.669 4.350 0.001 0.000 0.299 180 T C -0.108 174.404 174.700 -0.314 0.000 1.093 180 T CA -0.423 61.623 62.100 -0.090 0.000 1.002 180 T CB 1.481 70.299 68.868 -0.084 0.000 1.127 180 T HN -0.068 nan 8.240 nan 0.000 0.488 181 S N 3.648 118.862 115.700 -0.811 0.000 2.655 181 S HA 0.593 5.063 4.470 0.001 0.000 0.265 181 S C -2.699 171.458 174.600 -0.739 0.000 1.240 181 S CA -1.183 56.240 58.200 -1.295 0.000 0.986 181 S CB 0.027 62.115 63.200 -1.853 0.000 0.985 181 S HN 0.538 nan 8.310 nan 0.000 0.562 182 P HA 0.043 nan 4.420 nan 0.000 0.263 182 P C 1.070 177.957 177.300 -0.688 0.000 1.175 182 P CA 0.247 62.952 63.100 -0.659 0.000 0.761 182 P CB 0.150 31.196 31.700 -1.090 0.000 0.794 183 T N -0.920 113.430 114.554 -0.341 0.000 3.051 183 T HA -0.109 4.241 4.350 0.001 0.000 0.269 183 T C 1.034 175.659 174.700 -0.126 0.000 1.127 183 T CA 0.396 62.367 62.100 -0.215 0.000 1.107 183 T CB -0.617 68.207 68.868 -0.072 0.000 0.898 183 T HN 0.585 nan 8.240 nan 0.000 0.517 184 W N 0.980 122.211 121.300 -0.116 0.000 3.434 184 W HA 0.454 5.115 4.660 0.001 0.000 0.297 184 W C 0.192 176.684 176.519 -0.045 0.000 1.295 184 W CA -0.670 56.631 57.345 -0.072 0.000 1.731 184 W CB -0.803 28.616 29.460 -0.068 0.000 1.070 184 W HN 0.270 nan 8.180 nan 0.000 0.726 185 L N 0.570 121.618 121.223 -0.292 0.000 2.966 185 L HA 0.270 4.610 4.340 0.001 0.000 0.262 185 L C 0.473 177.115 176.870 -0.379 0.000 1.165 185 L CA 0.161 54.829 54.840 -0.286 0.000 0.978 185 L CB 0.155 41.871 42.059 -0.572 0.000 1.337 185 L HN -0.293 nan 8.230 nan 0.000 0.563 186 K N 0.006 120.209 120.400 -0.328 0.000 2.164 186 K HA 0.256 4.577 4.320 0.001 0.000 0.258 186 K C 1.197 177.650 176.600 -0.246 0.000 0.951 186 K CA -0.044 56.047 56.287 -0.328 0.000 0.844 186 K CB 1.936 34.252 32.500 -0.306 0.000 1.099 186 K HN -0.057 nan 8.250 nan 0.000 0.435 187 T N -1.414 112.993 114.554 -0.245 0.000 2.803 187 T HA -0.190 4.161 4.350 0.001 0.000 0.269 187 T C 1.189 175.811 174.700 -0.130 0.000 1.052 187 T CA 1.671 63.660 62.100 -0.186 0.000 1.136 187 T CB -0.252 68.517 68.868 -0.165 0.000 0.864 187 T HN 0.677 nan 8.240 nan 0.000 0.467 188 N N 1.160 119.785 118.700 -0.126 0.000 2.236 188 N HA 0.187 4.927 4.740 0.001 0.000 0.196 188 N C 1.429 176.899 175.510 -0.066 0.000 1.114 188 N CA 0.414 53.412 53.050 -0.086 0.000 0.859 188 N CB -0.643 37.795 38.487 -0.082 0.000 0.982 188 N HN 0.591 nan 8.380 nan 0.000 0.493 189 G N -0.048 108.708 108.800 -0.074 0.000 2.422 189 G HA2 -0.048 3.912 3.960 0.001 0.000 0.301 189 G HA3 -0.048 3.912 3.960 0.001 0.000 0.301 189 G C 0.032 174.910 174.900 -0.037 0.000 0.981 189 G CA 0.682 45.756 45.100 -0.043 0.000 0.994 189 G HN 0.896 nan 8.290 nan 0.000 0.514 190 A N -1.526 121.260 122.820 -0.058 0.000 2.475 190 A HA 0.832 5.153 4.320 0.001 0.000 0.301 190 A C 1.128 178.685 177.584 -0.045 0.000 1.059 190 A CA 0.169 52.185 52.037 -0.034 0.000 0.710 190 A CB 1.360 20.351 19.000 -0.016 0.000 1.288 190 A HN 1.426 nan 8.150 nan 0.000 0.408 191 V N -0.495 119.410 119.914 -0.014 0.000 2.667 191 V HA 0.020 4.141 4.120 0.001 0.000 0.252 191 V C 0.748 176.881 176.094 0.064 0.000 1.065 191 V CA 1.793 64.089 62.300 -0.005 0.000 1.083 191 V CB -1.533 30.288 31.823 -0.004 0.000 0.692 191 V HN 0.935 nan 8.190 nan 0.000 0.468 192 N N 0.335 119.094 118.700 0.099 0.000 3.184 192 N HA 0.614 5.355 4.740 0.001 0.000 0.353 192 N C 0.499 176.046 175.510 0.062 0.000 1.441 192 N CA 0.188 53.315 53.050 0.128 0.000 0.723 192 N CB 0.568 39.156 38.487 0.168 0.000 1.547 192 N HN 0.861 nan 8.380 nan 0.000 0.624 193 G N -0.190 108.653 108.800 0.071 0.000 2.894 193 G HA2 -0.269 3.691 3.960 0.001 0.000 0.247 193 G HA3 -0.269 3.691 3.960 0.001 0.000 0.247 193 G C -0.663 174.238 174.900 0.002 0.000 1.442 193 G CA 0.041 45.161 45.100 0.035 0.000 0.897 193 G HN 0.921 nan 8.290 nan 0.000 0.550 194 K N 0.653 121.038 120.400 -0.025 0.000 2.366 194 K HA 0.465 4.785 4.320 0.001 0.000 0.279 194 K C 0.674 177.224 176.600 -0.084 0.000 1.098 194 K CA 0.974 57.224 56.287 -0.060 0.000 1.087 194 K CB -0.667 31.800 32.500 -0.054 0.000 0.901 194 K HN 1.514 nan 8.250 nan 0.000 0.463 195 G N 1.894 110.622 108.800 -0.121 0.000 2.733 195 G HA2 0.348 4.308 3.960 0.001 0.000 0.297 195 G HA3 0.348 4.308 3.960 0.001 0.000 0.297 195 G C -1.303 173.455 174.900 -0.237 0.000 1.452 195 G CA -0.588 44.415 45.100 -0.162 0.000 0.940 195 G HN 0.592 nan 8.290 nan 0.000 0.547 196 S N 0.874 116.406 115.700 -0.280 0.000 2.810 196 S HA 0.799 5.269 4.470 0.001 0.000 0.315 196 S C 0.017 174.346 174.600 -0.453 0.000 1.138 196 S CA -0.968 56.979 58.200 -0.423 0.000 0.889 196 S CB 1.037 64.044 63.200 -0.322 0.000 1.236 196 S HN 0.689 nan 8.310 nan 0.000 0.548 197 L N 1.166 122.042 121.223 -0.578 0.000 2.483 197 L HA 0.259 4.599 4.340 0.001 0.000 0.275 197 L C 0.536 177.209 176.870 -0.329 0.000 1.220 197 L CA -0.121 54.394 54.840 -0.542 0.000 0.833 197 L CB 0.338 41.942 42.059 -0.759 0.000 1.102 197 L HN 0.685 nan 8.230 nan 0.000 0.490 198 K N 1.704 121.851 120.400 -0.421 0.000 2.322 198 K HA 0.387 4.708 4.320 0.001 0.000 0.283 198 K C 0.512 176.967 176.600 -0.243 0.000 1.042 198 K CA 0.611 56.599 56.287 -0.499 0.000 0.958 198 K CB 0.917 32.776 32.500 -1.068 0.000 0.984 198 K HN 0.831 nan 8.250 nan 0.000 0.473 199 G N 1.695 110.449 108.800 -0.077 0.000 2.545 199 G HA2 -0.231 3.730 3.960 0.001 0.000 0.240 199 G HA3 -0.231 3.730 3.960 0.001 0.000 0.240 199 G C -1.201 173.777 174.900 0.130 0.000 1.172 199 G CA -0.182 44.983 45.100 0.107 0.000 0.949 199 G HN 0.619 nan 8.290 nan 0.000 0.574 200 Q N 0.711 120.580 119.800 0.114 0.000 2.359 200 Q HA 0.606 4.946 4.340 0.001 0.000 0.274 200 Q C -3.138 172.533 176.000 -0.549 0.000 1.074 200 Q CA -1.851 53.849 55.803 -0.171 0.000 0.810 200 Q CB 2.614 31.296 28.738 -0.093 0.000 1.342 200 Q HN 0.353 nan 8.270 nan 0.000 0.427 201 P HA 0.044 nan 4.420 nan 0.000 0.261 201 P C 0.621 177.808 177.300 -0.190 0.000 1.173 201 P CA 2.359 65.132 63.100 -0.545 0.000 0.760 201 P CB 0.287 31.921 31.700 -0.109 0.000 0.783 202 G N 2.286 111.073 108.800 -0.022 0.000 2.308 202 G HA2 -0.204 3.756 3.960 0.001 0.000 0.221 202 G HA3 -0.204 3.756 3.960 0.001 0.000 0.221 202 G C 0.085 175.039 174.900 0.091 0.000 1.032 202 G CA 0.219 45.346 45.100 0.045 0.000 0.623 202 G HN 0.706 nan 8.290 nan 0.000 0.506 203 D N 1.693 122.162 120.400 0.115 0.000 2.371 203 D HA 0.385 5.025 4.640 0.001 0.000 0.242 203 D C 2.081 178.490 176.300 0.183 0.000 1.218 203 D CA -0.151 53.941 54.000 0.153 0.000 0.945 203 D CB 0.174 41.101 40.800 0.212 0.000 1.137 203 D HN 0.256 nan 8.370 nan 0.000 0.464 204 I N -0.822 119.745 120.570 -0.004 0.000 2.315 204 I HA -0.306 3.865 4.170 0.001 0.000 0.251 204 I C 1.941 178.103 176.117 0.075 0.000 1.125 204 I CA 1.374 62.619 61.300 -0.093 0.000 1.392 204 I CB -1.569 36.155 38.000 -0.460 0.000 1.065 204 I HN 0.413 nan 8.210 nan 0.000 0.424 205 Y N 1.089 121.574 120.300 0.308 0.000 2.181 205 Y HA -0.217 4.333 4.550 0.001 0.000 0.288 205 Y C 2.872 178.891 175.900 0.198 0.000 1.146 205 Y CA 1.806 60.074 58.100 0.280 0.000 1.164 205 Y CB -0.935 37.611 38.460 0.144 0.000 0.982 205 Y HN 0.222 nan 8.280 nan 0.000 0.515 206 H N -0.941 118.357 119.070 0.381 0.000 2.395 206 H HA -0.094 4.462 4.556 0.001 0.000 0.299 206 H C 2.061 177.653 175.328 0.440 0.000 1.070 206 H CA 1.297 57.593 56.048 0.414 0.000 1.356 206 H CB -0.043 29.969 29.762 0.416 0.000 1.401 206 H HN 0.213 nan 8.280 nan 0.000 0.524 207 Q N -0.143 119.909 119.800 0.419 0.000 2.119 207 Q HA -0.074 4.266 4.340 0.001 0.000 0.201 207 Q C 2.073 178.256 176.000 0.305 0.000 0.972 207 Q CA 1.486 57.466 55.803 0.296 0.000 0.847 207 Q CB -0.279 28.577 28.738 0.196 0.000 0.903 207 Q HN 0.473 nan 8.270 nan 0.000 0.433 208 T N 0.457 115.225 114.554 0.357 0.000 2.770 208 T HA -0.135 4.216 4.350 0.001 0.000 0.263 208 T C 1.255 176.217 174.700 0.436 0.000 1.039 208 T CA 0.738 63.065 62.100 0.379 0.000 1.142 208 T CB -0.384 68.750 68.868 0.443 0.000 0.868 208 T HN 0.490 nan 8.240 nan 0.000 0.435 209 W N 1.773 123.176 121.300 0.172 0.000 2.317 209 W HA -0.227 4.434 4.660 0.001 0.000 0.318 209 W C 2.594 179.379 176.519 0.444 0.000 1.227 209 W CA 1.009 58.449 57.345 0.158 0.000 1.269 209 W CB -0.243 29.199 29.460 -0.030 0.000 1.155 209 W HN 0.283 nan 8.180 nan 0.000 0.484 210 A N 0.617 123.696 122.820 0.431 0.000 1.933 210 A HA -0.238 4.082 4.320 0.001 0.000 0.218 210 A C 2.009 179.685 177.584 0.154 0.000 1.175 210 A CA 1.753 53.900 52.037 0.184 0.000 0.628 210 A CB -1.023 18.024 19.000 0.077 0.000 0.814 210 A HN 0.407 nan 8.150 nan 0.000 0.444 211 R N -2.092 118.524 120.500 0.193 0.000 2.115 211 R HA -0.165 4.175 4.340 0.001 0.000 0.230 211 R C 1.979 178.339 176.300 0.101 0.000 1.111 211 R CA 1.588 57.763 56.100 0.124 0.000 0.976 211 R CB -0.403 29.976 30.300 0.132 0.000 0.870 211 R HN 0.693 nan 8.270 nan 0.000 0.445 212 Y N 0.224 120.548 120.300 0.040 0.000 2.165 212 Y HA -0.282 4.269 4.550 0.001 0.000 0.286 212 Y C 1.672 177.485 175.900 -0.146 0.000 1.155 212 Y CA 1.849 59.930 58.100 -0.031 0.000 1.164 212 Y CB -0.373 38.162 38.460 0.124 0.000 0.978 212 Y HN -0.026 nan 8.280 nan 0.000 0.513 213 F N -0.780 119.098 119.950 -0.120 0.000 2.095 213 F HA -0.288 4.239 4.527 0.001 0.000 0.298 213 F C 2.367 178.070 175.800 -0.162 0.000 1.104 213 F CA 1.907 59.794 58.000 -0.189 0.000 1.232 213 F CB -0.991 37.856 39.000 -0.255 0.000 0.987 213 F HN -0.116 nan 8.300 nan 0.000 0.475 214 V N -0.335 119.608 119.914 0.048 0.000 2.427 214 V HA -0.244 3.876 4.120 0.001 0.000 0.248 214 V C 2.391 178.393 176.094 -0.153 0.000 1.051 214 V CA 1.509 63.805 62.300 -0.006 0.000 1.048 214 V CB -0.550 31.295 31.823 0.037 0.000 0.666 214 V HN 0.215 nan 8.190 nan 0.000 0.456 215 K N -0.435 119.739 120.400 -0.378 0.000 2.097 215 K HA -0.121 4.199 4.320 0.001 0.000 0.205 215 K C 2.051 178.213 176.600 -0.731 0.000 1.050 215 K CA 1.424 57.241 56.287 -0.784 0.000 0.938 215 K CB -0.520 31.066 32.500 -1.523 0.000 0.718 215 K HN 0.536 nan 8.250 nan 0.000 0.442 216 F N 1.841 121.400 119.950 -0.651 0.000 2.113 216 F HA -0.145 4.382 4.527 0.001 0.000 0.297 216 F C 1.938 177.616 175.800 -0.203 0.000 1.103 216 F CA 1.199 59.031 58.000 -0.280 0.000 1.248 216 F CB -0.266 38.528 39.000 -0.344 0.000 0.999 216 F HN -0.140 nan 8.300 nan 0.000 0.475 217 L N 0.052 121.087 121.223 -0.314 0.000 2.046 217 L HA -0.212 4.129 4.340 0.001 0.000 0.208 217 L C 2.230 178.863 176.870 -0.394 0.000 1.077 217 L CA 1.365 55.903 54.840 -0.504 0.000 0.747 217 L CB -0.932 40.667 42.059 -0.767 0.000 0.896 217 L HN 0.107 nan 8.230 nan 0.000 0.432 218 D N 0.434 120.731 120.400 -0.172 0.000 2.104 218 D HA -0.191 4.450 4.640 0.001 0.000 0.194 218 D C 2.225 178.526 176.300 0.003 0.000 0.994 218 D CA 1.658 55.691 54.000 0.055 0.000 0.830 218 D CB -0.073 40.751 40.800 0.040 0.000 0.959 218 D HN 0.340 nan 8.370 nan 0.000 0.452 219 A N 0.295 123.093 122.820 -0.036 0.000 1.877 219 A HA -0.207 4.114 4.320 0.001 0.000 0.216 219 A C 2.130 179.742 177.584 0.047 0.000 1.186 219 A CA 1.127 53.183 52.037 0.032 0.000 0.620 219 A CB -1.155 17.900 19.000 0.092 0.000 0.822 219 A HN 0.199 nan 8.150 nan 0.000 0.443 220 Y N 0.003 120.166 120.300 -0.228 0.000 2.256 220 Y HA -0.122 4.428 4.550 0.001 0.000 0.288 220 Y C 2.827 178.721 175.900 -0.009 0.000 1.155 220 Y CA 0.886 58.902 58.100 -0.140 0.000 1.203 220 Y CB -0.408 37.907 38.460 -0.242 0.000 0.980 220 Y HN 0.344 nan 8.280 nan 0.000 0.530 221 A N -0.269 122.615 122.820 0.108 0.000 1.968 221 A HA -0.142 4.178 4.320 0.001 0.000 0.217 221 A C 2.017 179.636 177.584 0.057 0.000 1.169 221 A CA 1.347 53.447 52.037 0.104 0.000 0.638 221 A CB -0.478 18.619 19.000 0.163 0.000 0.812 221 A HN 0.493 nan 8.150 nan 0.000 0.446 222 E N -0.584 119.625 120.200 0.015 0.000 2.160 222 E HA -0.174 4.176 4.350 0.001 0.000 0.195 222 E C 0.928 177.429 176.600 -0.164 0.000 0.991 222 E CA 1.048 57.398 56.400 -0.085 0.000 0.810 222 E CB -0.204 29.417 29.700 -0.133 0.000 0.742 222 E HN 0.686 nan 8.360 nan 0.000 0.466 223 H N 0.628 119.670 119.070 -0.046 0.000 2.555 223 H HA 0.102 4.658 4.556 0.001 0.000 0.283 223 H C -0.099 175.282 175.328 0.088 0.000 1.037 223 H CA 0.301 56.338 56.048 -0.019 0.000 1.169 223 H CB 0.270 29.946 29.762 -0.143 0.000 1.375 223 H HN 0.025 nan 8.280 nan 0.000 0.582 224 K N 0.312 120.792 120.400 0.133 0.000 3.148 224 K HA -0.184 4.136 4.320 0.001 0.000 0.267 224 K C -0.478 176.209 176.600 0.145 0.000 0.996 224 K CA 0.442 56.810 56.287 0.136 0.000 0.737 224 K CB -2.045 30.530 32.500 0.125 0.000 1.308 224 K HN 0.397 nan 8.250 nan 0.000 0.470 225 L N 1.165 122.437 121.223 0.083 0.000 2.381 225 L HA 0.308 4.649 4.340 0.001 0.000 0.274 225 L C 0.184 177.063 176.870 0.014 0.000 0.988 225 L CA -0.754 54.083 54.840 -0.006 0.000 0.824 225 L CB 1.970 44.003 42.059 -0.044 0.000 1.263 225 L HN 0.030 nan 8.230 nan 0.000 0.410 226 Q N 2.526 122.291 119.800 -0.059 0.000 2.345 226 Q HA 0.544 4.884 4.340 0.001 0.000 0.268 226 Q C -1.218 174.705 176.000 -0.128 0.000 1.054 226 Q CA -0.621 55.186 55.803 0.007 0.000 0.835 226 Q CB 3.017 31.782 28.738 0.044 0.000 1.339 226 Q HN 0.313 nan 8.270 nan 0.000 0.447 227 F N 0.312 120.274 119.950 0.019 0.000 2.422 227 F HA 0.165 4.692 4.527 0.001 0.000 0.333 227 F C 0.985 176.836 175.800 0.085 0.000 1.095 227 F CA -0.675 57.353 58.000 0.047 0.000 1.038 227 F CB 0.874 39.874 39.000 0.002 0.000 1.156 227 F HN 0.716 nan 8.300 nan 0.000 0.483 228 W N 3.607 124.949 121.300 0.069 0.000 2.409 228 W HA 0.347 5.007 4.660 0.001 0.000 0.299 228 W C -0.092 176.432 176.519 0.009 0.000 1.203 228 W CA 1.126 58.473 57.345 0.003 0.000 1.298 228 W CB -0.106 29.326 29.460 -0.047 0.000 1.127 228 W HN 0.450 nan 8.180 nan 0.000 0.528 229 A N -0.232 122.424 122.820 -0.274 0.000 2.599 229 A HA 0.604 4.924 4.320 0.001 0.000 0.290 229 A C -1.279 176.158 177.584 -0.245 0.000 1.101 229 A CA -0.228 51.446 52.037 -0.605 0.000 0.674 229 A CB 0.808 18.944 19.000 -1.440 0.000 1.277 229 A HN 0.594 nan 8.150 nan 0.000 0.419 230 V N -1.755 117.995 119.914 -0.273 0.000 3.078 230 V HA 0.950 5.071 4.120 0.001 0.000 0.311 230 V C -0.143 175.854 176.094 -0.160 0.000 1.138 230 V CA 0.047 62.243 62.300 -0.174 0.000 1.007 230 V CB 1.393 33.165 31.823 -0.085 0.000 1.045 230 V HN 1.787 nan 8.190 nan 0.000 0.432 231 T N -0.030 114.469 114.554 -0.091 0.000 2.929 231 T HA 0.723 5.073 4.350 0.001 0.000 0.284 231 T C 1.109 175.802 174.700 -0.013 0.000 1.014 231 T CA -0.034 62.011 62.100 -0.092 0.000 1.051 231 T CB 1.658 70.462 68.868 -0.107 0.000 1.028 231 T HN 1.732 nan 8.240 nan 0.000 0.485 232 A N 0.790 123.554 122.820 -0.093 0.000 2.178 232 A HA 0.294 4.614 4.320 0.001 0.000 0.218 232 A C 0.795 178.402 177.584 0.038 0.000 1.157 232 A CA 1.290 53.271 52.037 -0.093 0.000 0.689 232 A CB -0.913 17.974 19.000 -0.189 0.000 0.787 232 A HN 1.111 nan 8.150 nan 0.000 0.465 233 E N -1.914 118.273 120.200 -0.022 0.000 3.419 233 E HA 0.067 4.417 4.350 0.001 0.000 0.330 233 E C -1.209 175.247 176.600 -0.240 0.000 1.127 233 E CA -0.225 56.151 56.400 -0.039 0.000 0.899 233 E CB -0.606 29.057 29.700 -0.061 0.000 1.169 233 E HN 0.218 nan 8.360 nan 0.000 0.498 234 N N 2.974 121.435 118.700 -0.398 0.000 2.483 234 N HA 0.160 4.901 4.740 0.001 0.000 0.264 234 N C -0.725 174.435 175.510 -0.583 0.000 1.197 234 N CA 0.675 53.316 53.050 -0.681 0.000 0.927 234 N CB 0.470 38.063 38.487 -1.490 0.000 1.065 234 N HN 0.593 nan 8.380 nan 0.000 0.461 235 E N 1.673 121.508 120.200 -0.608 0.000 2.131 235 E HA -0.205 4.145 4.350 0.001 0.000 0.166 235 E C -1.603 174.766 176.600 -0.385 0.000 1.514 235 E CA -0.030 56.050 56.400 -0.533 0.000 0.646 235 E CB -0.366 29.068 29.700 -0.443 0.000 1.051 235 E HN 0.665 nan 8.360 nan 0.000 0.315 236 P HA -0.259 nan 4.420 nan 0.000 0.219 236 P C 1.380 178.661 177.300 -0.032 0.000 1.146 236 P CA 1.829 64.909 63.100 -0.033 0.000 0.808 236 P CB 0.104 31.859 31.700 0.092 0.000 0.779 237 S N -0.318 115.274 115.700 -0.179 0.000 2.453 237 S HA 0.033 4.504 4.470 0.001 0.000 0.231 237 S C 2.191 176.644 174.600 -0.244 0.000 1.005 237 S CA 0.785 58.916 58.200 -0.115 0.000 0.949 237 S CB -1.167 61.939 63.200 -0.156 0.000 0.774 237 S HN 0.125 nan 8.310 nan 0.000 0.510 238 A N 1.875 124.440 122.820 -0.425 0.000 1.933 238 A HA 0.214 4.534 4.320 0.001 0.000 0.218 238 A C 2.251 179.445 177.584 -0.651 0.000 1.175 238 A CA 1.349 52.903 52.037 -0.804 0.000 0.628 238 A CB -1.573 16.652 19.000 -1.293 0.000 0.814 238 A HN 0.685 nan 8.150 nan 0.000 0.444 239 G N -0.864 107.717 108.800 -0.366 0.000 2.882 239 G HA2 0.213 4.173 3.960 0.001 0.000 0.206 239 G HA3 0.213 4.173 3.960 0.001 0.000 0.206 239 G C 0.999 175.807 174.900 -0.153 0.000 1.155 239 G CA 0.412 45.384 45.100 -0.213 0.000 0.800 239 G HN 0.456 nan 8.290 nan 0.000 0.524 240 L N -0.282 120.857 121.223 -0.140 0.000 2.640 240 L HA 0.398 4.738 4.340 0.001 0.000 0.230 240 L C 0.347 177.168 176.870 -0.082 0.000 1.123 240 L CA -0.076 54.713 54.840 -0.084 0.000 0.900 240 L CB 0.178 42.217 42.059 -0.034 0.000 1.146 240 L HN 0.050 nan 8.230 nan 0.000 0.484 241 L N 0.767 121.925 121.223 -0.108 0.000 2.282 241 L HA 0.300 4.641 4.340 0.001 0.000 0.288 241 L C 0.517 177.370 176.870 -0.028 0.000 1.033 241 L CA -0.476 54.322 54.840 -0.070 0.000 0.807 241 L CB 1.705 43.715 42.059 -0.082 0.000 1.209 241 L HN 0.111 nan 8.230 nan 0.000 0.423 242 S N 1.255 116.938 115.700 -0.029 0.000 2.516 242 S HA 0.401 4.871 4.470 0.001 0.000 0.282 242 S C 1.094 175.681 174.600 -0.022 0.000 1.286 242 S CA 0.067 58.251 58.200 -0.026 0.000 1.066 242 S CB 1.089 64.271 63.200 -0.031 0.000 0.884 242 S HN 1.051 nan 8.310 nan 0.000 0.491 243 G N 1.247 110.034 108.800 -0.022 0.000 2.143 243 G HA2 -0.301 3.660 3.960 0.001 0.000 0.249 243 G HA3 -0.301 3.660 3.960 0.001 0.000 0.249 243 G C -0.146 174.708 174.900 -0.077 0.000 0.981 243 G CA 0.063 45.135 45.100 -0.047 0.000 0.665 243 G HN 0.991 nan 8.290 nan 0.000 0.528 244 Y N 2.350 122.545 120.300 -0.174 0.000 2.802 244 Y HA 0.239 4.789 4.550 0.001 0.000 0.333 244 Y C -0.071 175.654 175.900 -0.292 0.000 1.244 244 Y CA -0.382 57.559 58.100 -0.264 0.000 1.558 244 Y CB 0.940 39.266 38.460 -0.223 0.000 1.233 244 Y HN 0.117 nan 8.280 nan 0.000 0.547 245 P HA -0.108 nan 4.420 nan 0.000 0.220 245 P C -0.383 176.630 177.300 -0.478 0.000 1.152 245 P CA 1.105 63.794 63.100 -0.685 0.000 0.812 245 P CB 0.129 31.335 31.700 -0.824 0.000 0.792 246 F N -0.378 119.351 119.950 -0.368 0.000 2.408 246 F HA 0.433 4.960 4.527 0.001 0.000 0.325 246 F C 0.955 176.914 175.800 0.264 0.000 1.082 246 F CA -1.803 56.175 58.000 -0.036 0.000 1.032 246 F CB -0.204 38.835 39.000 0.065 0.000 1.259 246 F HN -0.371 nan 8.300 nan 0.000 0.503 247 Q N 1.125 121.274 119.800 0.581 0.000 2.436 247 Q HA 0.151 4.492 4.340 0.001 0.000 0.326 247 Q C -0.408 175.889 176.000 0.495 0.000 1.079 247 Q CA 0.296 56.372 55.803 0.455 0.000 1.049 247 Q CB 0.073 29.045 28.738 0.390 0.000 1.047 247 Q HN 0.718 nan 8.270 nan 0.000 0.386 248 C N 0.528 119.989 119.300 0.268 0.000 3.318 248 C HA 0.916 5.377 4.460 0.001 0.000 0.329 248 C C -1.412 173.562 174.990 -0.028 0.000 1.449 248 C CA -1.246 57.846 59.018 0.123 0.000 1.397 248 C CB 0.985 28.764 27.740 0.066 0.000 1.810 248 C HN 0.747 nan 8.230 nan 0.000 0.449 249 L N 1.582 122.751 121.223 -0.089 0.000 2.676 249 L HA 0.667 5.007 4.340 0.001 0.000 0.262 249 L C 0.127 176.897 176.870 -0.166 0.000 0.965 249 L CA 0.312 55.035 54.840 -0.195 0.000 0.920 249 L CB 1.023 42.966 42.059 -0.194 0.000 1.260 249 L HN 1.318 nan 8.230 nan 0.000 0.422 250 G N 3.301 111.926 108.800 -0.290 0.000 2.403 250 G HA2 0.489 4.449 3.960 0.001 0.000 0.259 250 G HA3 0.489 4.449 3.960 0.001 0.000 0.259 250 G C -1.128 173.548 174.900 -0.373 0.000 1.244 250 G CA 0.032 45.008 45.100 -0.207 0.000 0.849 250 G HN 0.364 nan 8.290 nan 0.000 0.532 251 F N 0.161 120.096 119.950 -0.024 0.000 2.569 251 F HA 0.398 4.926 4.527 0.001 0.000 0.312 251 F C 0.832 176.732 175.800 0.168 0.000 1.109 251 F CA -0.835 57.181 58.000 0.028 0.000 0.919 251 F CB 2.235 41.248 39.000 0.021 0.000 1.211 251 F HN 0.627 nan 8.300 nan 0.000 0.446 252 T N -0.139 114.571 114.554 0.260 0.000 2.868 252 T HA 0.225 4.576 4.350 0.001 0.000 0.292 252 T C -1.962 172.541 174.700 -0.328 0.000 1.028 252 T CA -1.598 60.535 62.100 0.054 0.000 1.059 252 T CB 1.197 70.077 68.868 0.020 0.000 0.991 252 T HN 0.287 nan 8.240 nan 0.000 0.531 253 P HA -0.146 nan 4.420 nan 0.000 0.216 253 P C 1.208 178.132 177.300 -0.626 0.000 1.154 253 P CA 1.285 63.453 63.100 -1.553 0.000 0.865 253 P CB 0.070 30.912 31.700 -1.431 0.000 0.789 254 E N -1.759 118.241 120.200 -0.334 0.000 2.077 254 E HA -0.200 4.150 4.350 0.001 0.000 0.193 254 E C 2.195 178.804 176.600 0.015 0.000 0.989 254 E CA 1.062 57.376 56.400 -0.144 0.000 0.800 254 E CB -1.004 28.639 29.700 -0.095 0.000 0.746 254 E HN 0.510 nan 8.360 nan 0.000 0.452 255 H N -0.273 118.787 119.070 -0.017 0.000 2.357 255 H HA -0.096 4.460 4.556 0.001 0.000 0.301 255 H C 2.237 177.748 175.328 0.306 0.000 1.082 255 H CA 1.269 57.416 56.048 0.165 0.000 1.342 255 H CB 0.304 30.190 29.762 0.207 0.000 1.389 255 H HN 0.136 nan 8.280 nan 0.000 0.511 256 Q N 0.866 120.827 119.800 0.267 0.000 2.030 256 Q HA -0.218 4.123 4.340 0.001 0.000 0.204 256 Q C 2.578 178.611 176.000 0.055 0.000 0.986 256 Q CA 1.780 57.625 55.803 0.069 0.000 0.843 256 Q CB -0.111 28.613 28.738 -0.023 0.000 0.904 256 Q HN 0.346 nan 8.270 nan 0.000 0.420 257 R N -0.005 120.479 120.500 -0.027 0.000 2.112 257 R HA -0.224 4.116 4.340 0.001 0.000 0.242 257 R C 1.281 177.589 176.300 0.012 0.000 1.137 257 R CA 2.229 58.301 56.100 -0.046 0.000 0.944 257 R CB -0.322 29.923 30.300 -0.092 0.000 0.857 257 R HN 0.422 nan 8.270 nan 0.000 0.435 258 D N -0.431 120.021 120.400 0.088 0.000 2.162 258 D HA -0.122 4.519 4.640 0.001 0.000 0.203 258 D C 1.626 178.028 176.300 0.170 0.000 0.967 258 D CA 0.736 54.796 54.000 0.100 0.000 0.840 258 D CB -0.415 40.435 40.800 0.084 0.000 0.972 258 D HN 0.204 nan 8.370 nan 0.000 0.482 259 F N 2.796 122.849 119.950 0.171 0.000 2.095 259 F HA -0.175 4.353 4.527 0.001 0.000 0.298 259 F C 2.126 177.932 175.800 0.010 0.000 1.104 259 F CA 1.185 59.301 58.000 0.194 0.000 1.232 259 F CB -0.462 38.746 39.000 0.347 0.000 0.987 259 F HN -0.073 nan 8.300 nan 0.000 0.475 260 I N -1.031 119.335 120.570 -0.341 0.000 2.353 260 I HA -0.023 4.147 4.170 0.001 0.000 0.248 260 I C 2.443 178.354 176.117 -0.343 0.000 1.119 260 I CA 1.232 62.216 61.300 -0.526 0.000 1.417 260 I CB -1.819 35.949 38.000 -0.388 0.000 1.078 260 I HN 0.136 nan 8.210 nan 0.000 0.421 261 A N 2.275 125.021 122.820 -0.124 0.000 1.865 261 A HA -0.165 4.155 4.320 0.001 0.000 0.217 261 A C 2.488 180.038 177.584 -0.056 0.000 1.191 261 A CA 1.705 53.739 52.037 -0.005 0.000 0.623 261 A CB -0.511 18.499 19.000 0.018 0.000 0.826 261 A HN 0.405 nan 8.150 nan 0.000 0.444 262 R N -0.711 119.747 120.500 -0.070 0.000 2.100 262 R HA 0.051 4.392 4.340 0.001 0.000 0.220 262 R C 0.829 177.076 176.300 -0.088 0.000 1.091 262 R CA 1.411 57.485 56.100 -0.042 0.000 0.986 262 R CB -0.377 29.929 30.300 0.009 0.000 0.888 262 R HN 0.633 nan 8.270 nan 0.000 0.444 263 D N -0.404 119.889 120.400 -0.178 0.000 3.208 263 D HA -0.016 4.625 4.640 0.001 0.000 0.281 263 D C 1.827 177.869 176.300 -0.430 0.000 1.328 263 D CA -0.133 53.766 54.000 -0.168 0.000 1.102 263 D CB -0.231 40.665 40.800 0.160 0.000 1.267 263 D HN -0.080 nan 8.370 nan 0.000 0.405 264 L N 2.159 122.869 121.223 -0.855 0.000 2.005 264 L HA 0.077 4.417 4.340 0.001 0.000 0.207 264 L C 2.237 178.647 176.870 -0.767 0.000 1.072 264 L CA 2.301 56.585 54.840 -0.926 0.000 0.744 264 L CB -1.132 40.103 42.059 -1.374 0.000 0.895 264 L HN 0.106 nan 8.230 nan 0.000 0.433 265 G N -0.162 108.085 108.800 -0.923 0.000 2.545 265 G HA2 -0.256 3.704 3.960 0.001 0.000 0.217 265 G HA3 -0.256 3.704 3.960 0.001 0.000 0.217 265 G C -0.607 173.519 174.900 -1.290 0.000 1.218 265 G CA 1.097 45.308 45.100 -1.481 0.000 0.787 265 G HN 0.379 nan 8.290 nan 0.000 0.571 266 P HA -0.067 nan 4.420 nan 0.000 0.216 266 P C 2.073 179.233 177.300 -0.234 0.000 1.153 266 P CA 2.069 64.942 63.100 -0.378 0.000 0.858 266 P CB -0.347 31.229 31.700 -0.206 0.000 0.789 267 T N -0.266 114.135 114.554 -0.255 0.000 2.708 267 T HA -0.101 4.249 4.350 0.001 0.000 0.266 267 T C 1.826 176.449 174.700 -0.128 0.000 1.037 267 T CA 1.072 63.081 62.100 -0.151 0.000 1.146 267 T CB -0.990 67.798 68.868 -0.134 0.000 0.865 267 T HN 0.043 nan 8.240 nan 0.000 0.435 268 L N 0.746 121.849 121.223 -0.199 0.000 2.012 268 L HA -0.127 4.214 4.340 0.001 0.000 0.210 268 L C 3.070 179.926 176.870 -0.024 0.000 1.073 268 L CA 1.391 56.163 54.840 -0.114 0.000 0.748 268 L CB -0.673 41.276 42.059 -0.183 0.000 0.891 268 L HN 0.261 nan 8.230 nan 0.000 0.431 269 A N -0.086 122.710 122.820 -0.040 0.000 1.902 269 A HA -0.254 4.066 4.320 0.001 0.000 0.217 269 A C 1.979 179.586 177.584 0.039 0.000 1.181 269 A CA 2.113 54.189 52.037 0.065 0.000 0.623 269 A CB -0.688 18.404 19.000 0.153 0.000 0.818 269 A HN 0.470 nan 8.150 nan 0.000 0.443 270 N N -0.097 118.602 118.700 -0.003 0.000 2.521 270 N HA -0.025 4.715 4.740 0.001 0.000 0.188 270 N C 0.610 176.120 175.510 0.001 0.000 1.146 270 N CA 0.817 53.861 53.050 -0.010 0.000 0.893 270 N CB -0.248 38.227 38.487 -0.020 0.000 0.975 270 N HN 0.538 nan 8.380 nan 0.000 0.451 271 S N -2.164 113.551 115.700 0.025 0.000 2.722 271 S HA 0.204 4.675 4.470 0.001 0.000 0.292 271 S C 1.387 176.001 174.600 0.024 0.000 1.135 271 S CA -0.091 58.118 58.200 0.015 0.000 1.003 271 S CB 0.882 64.107 63.200 0.042 0.000 1.067 271 S HN 0.249 nan 8.310 nan 0.000 0.546 272 T N -1.516 112.963 114.554 -0.125 0.000 3.098 272 T HA -0.026 4.324 4.350 0.001 0.000 0.266 272 T C 0.613 175.087 174.700 -0.377 0.000 1.145 272 T CA 0.815 62.788 62.100 -0.212 0.000 1.092 272 T CB -0.746 67.919 68.868 -0.338 0.000 0.908 272 T HN 0.761 nan 8.240 nan 0.000 0.526 273 H N 0.930 119.988 119.070 -0.019 0.000 2.524 273 H HA 0.198 4.754 4.556 0.001 0.000 0.299 273 H C 1.427 176.685 175.328 -0.116 0.000 1.074 273 H CA 0.283 56.278 56.048 -0.088 0.000 1.115 273 H CB -0.424 29.316 29.762 -0.037 0.000 1.522 273 H HN 0.828 nan 8.280 nan 0.000 0.543 274 H N -0.627 118.460 119.070 0.028 0.000 2.457 274 H HA -0.070 4.487 4.556 0.001 0.000 0.297 274 H C 1.191 176.525 175.328 0.010 0.000 1.092 274 H CA 1.146 57.200 56.048 0.011 0.000 1.309 274 H CB 0.033 29.793 29.762 -0.003 0.000 1.382 274 H HN 0.045 nan 8.280 nan 0.000 0.535 275 N N 0.738 119.253 118.700 -0.308 0.000 2.515 275 N HA 0.002 4.742 4.740 0.001 0.000 0.185 275 N C -0.254 175.204 175.510 -0.088 0.000 1.109 275 N CA 0.300 53.262 53.050 -0.147 0.000 0.903 275 N CB 0.251 38.624 38.487 -0.190 0.000 0.969 275 N HN 0.203 nan 8.380 nan 0.000 0.450 276 V N 3.200 123.070 119.914 -0.073 0.000 2.521 276 V HA 0.062 4.182 4.120 0.001 0.000 0.286 276 V C 0.744 176.726 176.094 -0.186 0.000 1.034 276 V CA -0.481 61.760 62.300 -0.099 0.000 1.045 276 V CB 0.616 32.413 31.823 -0.044 0.000 0.974 276 V HN 0.099 nan 8.190 nan 0.000 0.480 277 R N 3.512 123.804 120.500 -0.346 0.000 2.643 277 R HA 0.329 4.670 4.340 0.001 0.000 0.270 277 R C -0.461 175.643 176.300 -0.326 0.000 1.061 277 R CA -0.593 55.265 56.100 -0.403 0.000 1.107 277 R CB 0.374 30.246 30.300 -0.712 0.000 0.999 277 R HN 0.508 nan 8.270 nan 0.000 0.460 278 L N 3.384 124.486 121.223 -0.201 0.000 2.296 278 L HA 0.429 4.769 4.340 0.001 0.000 0.286 278 L C -1.003 175.768 176.870 -0.166 0.000 1.023 278 L CA -0.213 54.508 54.840 -0.199 0.000 0.812 278 L CB 1.103 43.054 42.059 -0.179 0.000 1.223 278 L HN 0.429 nan 8.230 nan 0.000 0.421 279 L N 5.940 127.044 121.223 -0.199 0.000 2.334 279 L HA 0.605 4.945 4.340 0.001 0.000 0.276 279 L C 0.121 176.910 176.870 -0.135 0.000 1.014 279 L CA -0.715 54.031 54.840 -0.156 0.000 0.815 279 L CB 1.794 43.743 42.059 -0.184 0.000 1.268 279 L HN 0.776 nan 8.230 nan 0.000 0.428 280 M N 1.691 121.226 119.600 -0.107 0.000 2.753 280 M HA 0.578 5.059 4.480 0.001 0.000 0.299 280 M C 0.439 176.674 176.300 -0.109 0.000 1.219 280 M CA -0.389 54.853 55.300 -0.096 0.000 0.900 280 M CB 1.909 34.472 32.600 -0.061 0.000 1.628 280 M HN 0.478 nan 8.290 nan 0.000 0.502 281 L N 0.422 121.572 121.223 -0.121 0.000 3.782 281 L HA -0.337 4.003 4.340 0.001 0.000 0.053 281 L C 0.276 176.880 176.870 -0.444 0.000 4.256 281 L CA 3.024 57.666 54.840 -0.329 0.000 0.725 281 L CB -1.857 40.043 42.059 -0.265 0.000 3.466 281 L HN 1.194 nan 8.230 nan 0.000 0.901 282 D N 0.588 120.775 120.400 -0.356 0.000 2.697 282 D HA -0.081 4.559 4.640 0.001 0.000 0.238 282 D C -0.392 175.335 176.300 -0.955 0.000 1.152 282 D CA 1.463 55.199 54.000 -0.439 0.000 0.666 282 D CB -0.795 39.811 40.800 -0.322 0.000 1.037 282 D HN 0.751 nan 8.370 nan 0.000 0.423 283 D N -0.909 118.962 120.400 -0.881 0.000 2.713 283 D HA 0.144 4.784 4.640 0.001 0.000 0.306 283 D C -0.501 175.506 176.300 -0.488 0.000 1.299 283 D CA -0.448 53.035 54.000 -0.861 0.000 0.823 283 D CB 0.668 41.005 40.800 -0.773 0.000 1.353 283 D HN -0.107 nan 8.370 nan 0.000 0.447 284 Q N 0.583 120.182 119.800 -0.335 0.000 2.386 284 Q HA 0.084 4.424 4.340 0.001 0.000 0.282 284 Q C 1.070 176.993 176.000 -0.129 0.000 1.050 284 Q CA 0.336 56.058 55.803 -0.135 0.000 0.918 284 Q CB 0.359 29.040 28.738 -0.095 0.000 1.266 284 Q HN 0.513 nan 8.270 nan 0.000 0.423 285 R N 1.855 122.336 120.500 -0.030 0.000 2.307 285 R HA -0.027 4.314 4.340 0.001 0.000 0.199 285 R C 1.680 177.973 176.300 -0.011 0.000 1.000 285 R CA 0.413 56.500 56.100 -0.020 0.000 1.023 285 R CB -0.497 29.817 30.300 0.023 0.000 0.908 285 R HN 0.597 nan 8.270 nan 0.000 0.473 286 L N -0.320 120.894 121.223 -0.014 0.000 2.349 286 L HA -0.052 4.288 4.340 0.001 0.000 0.220 286 L C 1.314 178.191 176.870 0.013 0.000 1.130 286 L CA 1.607 56.447 54.840 0.000 0.000 0.791 286 L CB -0.647 41.408 42.059 -0.007 0.000 0.918 286 L HN 0.274 nan 8.230 nan 0.000 0.444 287 L N 0.181 121.389 121.223 -0.024 0.000 2.599 287 L HA 0.200 4.540 4.340 0.001 0.000 0.230 287 L C 0.774 177.743 176.870 0.164 0.000 1.141 287 L CA -0.018 54.843 54.840 0.034 0.000 0.877 287 L CB 0.034 41.933 42.059 -0.266 0.000 1.009 287 L HN 0.220 nan 8.230 nan 0.000 0.447 288 L N 0.342 121.629 121.223 0.107 0.000 2.331 288 L HA 0.308 4.648 4.340 0.001 0.000 0.275 288 L C -1.430 175.528 176.870 0.146 0.000 1.022 288 L CA -1.562 53.362 54.840 0.141 0.000 0.812 288 L CB 1.505 43.621 42.059 0.095 0.000 1.257 288 L HN -0.205 nan 8.230 nan 0.000 0.435 289 P HA -0.039 nan 4.420 nan 0.000 0.245 289 P C 1.030 178.472 177.300 0.236 0.000 1.206 289 P CA 0.540 63.763 63.100 0.205 0.000 0.781 289 P CB 0.118 31.938 31.700 0.199 0.000 0.994 290 H N -0.478 118.688 119.070 0.159 0.000 2.292 290 H HA -0.196 4.361 4.556 0.001 0.000 0.292 290 H C 1.507 176.923 175.328 0.146 0.000 1.100 290 H CA 2.223 58.356 56.048 0.142 0.000 1.238 290 H CB -0.942 28.898 29.762 0.130 0.000 1.355 290 H HN 0.037 nan 8.280 nan 0.000 0.484 291 W N 0.419 121.654 121.300 -0.109 0.000 2.363 291 W HA -0.104 4.557 4.660 0.001 0.000 0.296 291 W C 2.911 179.308 176.519 -0.203 0.000 1.212 291 W CA 2.256 59.490 57.345 -0.185 0.000 1.260 291 W CB -0.771 28.636 29.460 -0.089 0.000 1.131 291 W HN 0.392 nan 8.180 nan 0.000 0.530 292 A N 0.041 122.907 122.820 0.077 0.000 1.877 292 A HA -0.216 4.104 4.320 0.001 0.000 0.216 292 A C 1.929 179.365 177.584 -0.247 0.000 1.186 292 A CA 1.922 53.879 52.037 -0.133 0.000 0.620 292 A CB -0.692 18.265 19.000 -0.072 0.000 0.822 292 A HN 0.288 nan 8.150 nan 0.000 0.443 293 K N -0.437 119.980 120.400 0.029 0.000 2.063 293 K HA -0.109 4.211 4.320 0.001 0.000 0.208 293 K C 1.868 178.435 176.600 -0.055 0.000 1.048 293 K CA 1.564 57.937 56.287 0.143 0.000 0.928 293 K CB -0.387 32.199 32.500 0.144 0.000 0.713 293 K HN 0.323 nan 8.250 nan 0.000 0.442 294 V N 0.657 120.426 119.914 -0.241 0.000 2.307 294 V HA -0.194 3.926 4.120 0.001 0.000 0.245 294 V C 2.201 178.167 176.094 -0.213 0.000 1.045 294 V CA 1.470 63.602 62.300 -0.280 0.000 1.024 294 V CB -0.206 31.323 31.823 -0.491 0.000 0.651 294 V HN 0.080 nan 8.190 nan 0.000 0.449 295 V N -0.465 119.309 119.914 -0.234 0.000 2.407 295 V HA -0.085 4.036 4.120 0.001 0.000 0.245 295 V C 2.094 178.072 176.094 -0.194 0.000 1.041 295 V CA 1.459 63.644 62.300 -0.192 0.000 1.040 295 V CB -0.389 31.335 31.823 -0.165 0.000 0.671 295 V HN 0.414 nan 8.190 nan 0.000 0.455 296 L N 0.744 121.780 121.223 -0.313 0.000 2.492 296 L HA -0.025 4.316 4.340 0.001 0.000 0.223 296 L C 2.440 179.247 176.870 -0.106 0.000 1.132 296 L CA 1.316 55.932 54.840 -0.374 0.000 0.850 296 L CB -0.675 40.801 42.059 -0.972 0.000 0.966 296 L HN 0.541 nan 8.230 nan 0.000 0.454 297 T N -4.718 109.835 114.554 -0.002 0.000 3.113 297 T HA -0.067 4.284 4.350 0.001 0.000 0.256 297 T C 0.716 175.425 174.700 0.014 0.000 1.131 297 T CA -0.091 62.059 62.100 0.084 0.000 1.074 297 T CB -0.208 68.725 68.868 0.108 0.000 0.944 297 T HN 0.043 nan 8.240 nan 0.000 0.516 298 D N 2.500 122.883 120.400 -0.028 0.000 2.411 298 D HA 0.271 4.912 4.640 0.001 0.000 0.225 298 D C -1.730 174.548 176.300 -0.038 0.000 1.156 298 D CA -2.732 51.249 54.000 -0.032 0.000 0.874 298 D CB 1.707 42.481 40.800 -0.043 0.000 1.034 298 D HN -0.019 nan 8.370 nan 0.000 0.502 299 P HA -0.169 nan 4.420 nan 0.000 0.217 299 P C 0.964 178.219 177.300 -0.075 0.000 1.148 299 P CA 0.993 64.064 63.100 -0.049 0.000 0.834 299 P CB 0.437 32.112 31.700 -0.041 0.000 0.783 300 E N -1.273 118.897 120.200 -0.049 0.000 2.285 300 E HA -0.007 4.344 4.350 0.001 0.000 0.194 300 E C 1.909 178.522 176.600 0.022 0.000 0.997 300 E CA 0.970 57.352 56.400 -0.030 0.000 0.845 300 E CB -0.481 29.222 29.700 0.005 0.000 0.782 300 E HN 0.196 nan 8.360 nan 0.000 0.491 301 A N 1.128 123.948 122.820 0.001 0.000 1.871 301 A HA 0.178 4.498 4.320 0.001 0.000 0.211 301 A C 2.394 179.965 177.584 -0.022 0.000 1.207 301 A CA 1.234 53.284 52.037 0.021 0.000 0.620 301 A CB -0.662 18.317 19.000 -0.035 0.000 0.860 301 A HN 0.215 nan 8.150 nan 0.000 0.450 302 A N 1.318 124.091 122.820 -0.077 0.000 2.009 302 A HA -0.281 4.039 4.320 0.001 0.000 0.222 302 A C 2.024 179.536 177.584 -0.119 0.000 1.175 302 A CA 2.389 54.366 52.037 -0.100 0.000 0.651 302 A CB -0.720 18.231 19.000 -0.082 0.000 0.815 302 A HN 0.738 nan 8.150 nan 0.000 0.459 303 K N -2.016 118.262 120.400 -0.204 0.000 2.365 303 K HA -0.056 4.264 4.320 0.001 0.000 0.199 303 K C 1.124 177.494 176.600 -0.384 0.000 1.045 303 K CA 1.430 57.527 56.287 -0.316 0.000 0.962 303 K CB -0.368 31.867 32.500 -0.442 0.000 0.759 303 K HN 0.582 nan 8.250 nan 0.000 0.469 304 Y N 0.893 121.142 120.300 -0.084 0.000 2.449 304 Y HA 0.200 4.751 4.550 0.001 0.000 0.254 304 Y C 0.312 176.152 175.900 -0.101 0.000 1.140 304 Y CA -0.809 57.231 58.100 -0.100 0.000 1.272 304 Y CB 0.916 39.289 38.460 -0.144 0.000 1.114 304 Y HN -0.215 nan 8.280 nan 0.000 0.525 305 V N 1.122 121.051 119.914 0.024 0.000 2.385 305 V HA -0.002 4.118 4.120 0.001 0.000 0.269 305 V C 0.763 176.854 176.094 -0.004 0.000 1.043 305 V CA -0.151 62.135 62.300 -0.024 0.000 0.906 305 V CB 0.834 32.609 31.823 -0.080 0.000 0.995 305 V HN 0.338 nan 8.190 nan 0.000 0.467 306 H N 3.820 122.839 119.070 -0.085 0.000 2.497 306 H HA 0.406 4.962 4.556 0.001 0.000 0.282 306 H C 0.754 176.058 175.328 -0.040 0.000 1.003 306 H CA 0.954 56.963 56.048 -0.065 0.000 1.307 306 H CB 0.590 30.295 29.762 -0.094 0.000 1.437 306 H HN 0.765 nan 8.280 nan 0.000 0.544 307 G N -0.732 107.975 108.800 -0.154 0.000 2.559 307 G HA2 0.419 4.380 3.960 0.001 0.000 0.291 307 G HA3 0.419 4.380 3.960 0.001 0.000 0.291 307 G C -1.684 173.177 174.900 -0.065 0.000 1.424 307 G CA -0.728 44.287 45.100 -0.142 0.000 0.786 307 G HN 0.121 nan 8.290 nan 0.000 0.485 308 I N 1.197 121.762 120.570 -0.008 0.000 2.382 308 I HA 0.562 4.732 4.170 0.001 0.000 0.286 308 I C 0.502 176.655 176.117 0.060 0.000 1.002 308 I CA -0.713 60.587 61.300 -0.001 0.000 1.135 308 I CB 1.962 39.964 38.000 0.003 0.000 1.288 308 I HN 0.638 nan 8.210 nan 0.000 0.448 309 A N 6.895 129.732 122.820 0.029 0.000 2.289 309 A HA 0.700 5.020 4.320 0.001 0.000 0.298 309 A C -0.274 177.311 177.584 0.002 0.000 1.208 309 A CA -0.467 51.628 52.037 0.097 0.000 0.845 309 A CB 0.713 19.769 19.000 0.093 0.000 1.125 309 A HN 0.613 nan 8.150 nan 0.000 0.517 310 V N 1.326 121.260 119.914 0.034 0.000 2.628 310 V HA 0.606 4.726 4.120 0.001 0.000 0.306 310 V C -0.403 175.728 176.094 0.061 0.000 1.045 310 V CA -0.687 61.608 62.300 -0.007 0.000 0.905 310 V CB 1.172 32.999 31.823 0.007 0.000 0.997 310 V HN 0.891 nan 8.190 nan 0.000 0.436 311 H N 4.420 123.377 119.070 -0.189 0.000 2.479 311 H HA 0.509 5.065 4.556 0.001 0.000 0.335 311 H C -1.035 174.258 175.328 -0.057 0.000 1.142 311 H CA -0.509 55.395 56.048 -0.241 0.000 1.234 311 H CB 1.942 31.549 29.762 -0.260 0.000 1.503 311 H HN 0.943 nan 8.280 nan 0.000 0.510 312 W N 3.245 124.517 121.300 -0.046 0.000 2.702 312 W HA 0.343 5.004 4.660 0.001 0.000 0.331 312 W C -2.345 174.291 176.519 0.195 0.000 1.049 312 W CA -1.074 56.304 57.345 0.054 0.000 1.230 312 W CB 0.864 30.334 29.460 0.018 0.000 1.408 312 W HN 0.493 nan 8.180 nan 0.000 0.492 313 Y N 4.501 125.153 120.300 0.586 0.000 2.575 313 Y HA 0.304 4.854 4.550 0.001 0.000 0.326 313 Y C -0.026 176.281 175.900 0.678 0.000 0.979 313 Y CA -1.145 57.303 58.100 0.579 0.000 1.286 313 Y CB 1.280 40.021 38.460 0.468 0.000 1.093 313 Y HN 0.451 nan 8.280 nan 0.000 0.501 314 L N 4.003 125.575 121.223 0.582 0.000 2.653 314 L HA 0.163 4.503 4.340 0.001 0.000 0.232 314 L C 1.117 177.932 176.870 -0.092 0.000 1.169 314 L CA 0.785 55.727 54.840 0.169 0.000 0.951 314 L CB -0.186 41.682 42.059 -0.319 0.000 1.181 314 L HN 0.573 nan 8.230 nan 0.000 0.460 315 D N -0.870 119.312 120.400 -0.362 0.000 2.340 315 D HA 0.036 4.677 4.640 0.001 0.000 0.220 315 D C 0.072 175.875 176.300 -0.829 0.000 1.039 315 D CA 0.596 54.186 54.000 -0.684 0.000 0.866 315 D CB 0.301 40.551 40.800 -0.917 0.000 0.913 315 D HN 0.203 nan 8.370 nan 0.000 0.523 316 F N -0.318 119.695 119.950 0.106 0.000 2.618 316 F HA 0.451 4.979 4.527 0.001 0.000 0.332 316 F C 0.043 175.890 175.800 0.078 0.000 1.061 316 F CA -1.209 56.858 58.000 0.111 0.000 0.974 316 F CB 1.412 40.501 39.000 0.149 0.000 1.310 316 F HN -0.395 nan 8.300 nan 0.000 0.491 317 L N 1.871 123.246 121.223 0.252 0.000 2.637 317 L HA 0.653 4.994 4.340 0.001 0.000 0.241 317 L C -0.399 176.532 176.870 0.102 0.000 1.398 317 L CA -0.160 54.760 54.840 0.133 0.000 0.895 317 L CB 0.050 42.166 42.059 0.096 0.000 1.183 317 L HN 0.716 nan 8.230 nan 0.000 0.497 318 A N 2.831 125.712 122.820 0.101 0.000 2.451 318 A HA 0.589 4.910 4.320 0.001 0.000 0.266 318 A C -2.273 175.313 177.584 0.004 0.000 1.119 318 A CA -0.920 51.150 52.037 0.055 0.000 0.786 318 A CB -0.592 18.442 19.000 0.057 0.000 1.061 318 A HN 0.426 nan 8.150 nan 0.000 0.503 319 P HA 0.248 nan 4.420 nan 0.000 0.268 319 P C 0.719 177.937 177.300 -0.137 0.000 1.204 319 P CA 0.331 63.395 63.100 -0.060 0.000 0.768 319 P CB 1.119 32.798 31.700 -0.034 0.000 0.842 320 A N 3.835 126.492 122.820 -0.271 0.000 1.930 320 A HA -0.140 4.181 4.320 0.001 0.000 0.215 320 A C 2.065 179.277 177.584 -0.621 0.000 1.176 320 A CA 1.338 53.087 52.037 -0.481 0.000 0.632 320 A CB -0.783 17.784 19.000 -0.721 0.000 0.819 320 A HN 0.552 nan 8.150 nan 0.000 0.445 321 K N -0.057 120.004 120.400 -0.566 0.000 2.026 321 K HA -0.080 4.240 4.320 0.001 0.000 0.208 321 K C 2.051 178.620 176.600 -0.051 0.000 1.048 321 K CA 1.285 57.423 56.287 -0.248 0.000 0.929 321 K CB -0.323 32.165 32.500 -0.020 0.000 0.713 321 K HN 0.337 nan 8.250 nan 0.000 0.439 322 A N 0.281 123.075 122.820 -0.043 0.000 2.067 322 A HA -0.113 4.207 4.320 0.001 0.000 0.219 322 A C 1.960 179.561 177.584 0.028 0.000 1.158 322 A CA 2.011 54.055 52.037 0.012 0.000 0.661 322 A CB -0.602 18.405 19.000 0.012 0.000 0.801 322 A HN 0.662 nan 8.150 nan 0.000 0.452 323 T N -2.600 111.952 114.554 -0.002 0.000 3.146 323 T HA 0.195 4.545 4.350 0.001 0.000 0.235 323 T C 1.834 176.574 174.700 0.068 0.000 0.985 323 T CA 0.685 62.804 62.100 0.032 0.000 1.265 323 T CB -0.634 68.239 68.868 0.009 0.000 0.946 323 T HN 0.152 nan 8.240 nan 0.000 0.418 324 L N 1.343 122.590 121.223 0.040 0.000 2.044 324 L HA 0.193 4.533 4.340 0.001 0.000 0.205 324 L C 3.176 180.203 176.870 0.262 0.000 1.075 324 L CA 1.463 56.386 54.840 0.138 0.000 0.747 324 L CB -1.138 40.992 42.059 0.119 0.000 0.903 324 L HN 0.543 nan 8.230 nan 0.000 0.435 325 G N -0.112 108.830 108.800 0.237 0.000 2.421 325 G HA2 -0.325 3.635 3.960 0.001 0.000 0.216 325 G HA3 -0.325 3.635 3.960 0.001 0.000 0.216 325 G C 1.490 176.555 174.900 0.276 0.000 1.171 325 G CA 0.989 46.328 45.100 0.399 0.000 0.775 325 G HN 0.329 nan 8.290 nan 0.000 0.543 326 E N 0.335 120.640 120.200 0.176 0.000 2.107 326 E HA -0.046 4.305 4.350 0.001 0.000 0.191 326 E C 2.582 179.260 176.600 0.131 0.000 0.982 326 E CA 1.550 58.027 56.400 0.129 0.000 0.809 326 E CB -0.564 29.194 29.700 0.096 0.000 0.756 326 E HN 0.312 nan 8.360 nan 0.000 0.459 327 T N 0.104 114.764 114.554 0.176 0.000 2.788 327 T HA -0.161 4.189 4.350 0.001 0.000 0.268 327 T C 1.594 176.422 174.700 0.213 0.000 1.044 327 T CA 1.323 63.559 62.100 0.227 0.000 1.139 327 T CB -0.449 68.555 68.868 0.225 0.000 0.867 327 T HN 0.371 nan 8.240 nan 0.000 0.454 328 H N 1.323 120.451 119.070 0.096 0.000 2.357 328 H HA 0.052 4.609 4.556 0.001 0.000 0.301 328 H C 2.633 177.923 175.328 -0.064 0.000 1.082 328 H CA 1.344 57.376 56.048 -0.026 0.000 1.342 328 H CB -0.044 29.548 29.762 -0.283 0.000 1.389 328 H HN 0.216 nan 8.280 nan 0.000 0.511 329 R N 0.265 120.738 120.500 -0.045 0.000 2.096 329 R HA -0.137 4.203 4.340 0.001 0.000 0.240 329 R C 2.657 178.831 176.300 -0.211 0.000 1.139 329 R CA 1.754 57.791 56.100 -0.105 0.000 0.952 329 R CB -0.118 30.182 30.300 -0.000 0.000 0.854 329 R HN 0.318 nan 8.270 nan 0.000 0.436 330 L N -1.092 119.992 121.223 -0.232 0.000 2.179 330 L HA -0.000 4.340 4.340 0.001 0.000 0.208 330 L C 0.363 176.687 176.870 -0.911 0.000 1.096 330 L CA 0.713 55.232 54.840 -0.534 0.000 0.779 330 L CB 0.153 41.886 42.059 -0.543 0.000 0.922 330 L HN 0.068 nan 8.230 nan 0.000 0.443 331 F N -0.373 119.512 119.950 -0.109 0.000 2.622 331 F HA 0.304 4.831 4.527 0.001 0.000 0.338 331 F C -1.660 174.014 175.800 -0.210 0.000 1.334 331 F CA -1.582 56.347 58.000 -0.118 0.000 1.179 331 F CB 0.495 39.457 39.000 -0.063 0.000 1.471 331 F HN -0.179 nan 8.300 nan 0.000 0.576 332 P HA -0.107 nan 4.420 nan 0.000 0.225 332 P C 0.430 177.628 177.300 -0.170 0.000 1.148 332 P CA 1.234 64.014 63.100 -0.533 0.000 0.779 332 P CB 0.406 31.833 31.700 -0.456 0.000 0.780 333 N N -0.788 117.887 118.700 -0.041 0.000 2.230 333 N HA 0.054 4.795 4.740 0.001 0.000 0.202 333 N C -0.123 175.395 175.510 0.013 0.000 1.119 333 N CA 0.432 53.488 53.050 0.011 0.000 0.851 333 N CB 0.441 38.935 38.487 0.012 0.000 0.990 333 N HN 0.067 nan 8.380 nan 0.000 0.497 334 T N 2.276 116.847 114.554 0.029 0.000 2.791 334 T HA 0.328 4.678 4.350 0.001 0.000 0.288 334 T C 0.410 175.118 174.700 0.012 0.000 0.999 334 T CA -0.736 61.349 62.100 -0.026 0.000 0.952 334 T CB 1.118 69.966 68.868 -0.033 0.000 0.938 334 T HN 0.077 nan 8.240 nan 0.000 0.444 335 M N 3.417 122.984 119.600 -0.056 0.000 2.252 335 M HA 0.416 4.896 4.480 0.001 0.000 0.333 335 M C -0.844 175.521 176.300 0.108 0.000 1.111 335 M CA 0.191 55.523 55.300 0.054 0.000 1.140 335 M CB -0.304 32.327 32.600 0.051 0.000 1.538 335 M HN 0.347 nan 8.290 nan 0.000 0.448 336 L N 3.629 124.961 121.223 0.182 0.000 2.307 336 L HA 0.656 4.997 4.340 0.001 0.000 0.282 336 L C -0.978 176.052 176.870 0.267 0.000 1.051 336 L CA -0.197 54.761 54.840 0.196 0.000 0.804 336 L CB 0.910 43.084 42.059 0.193 0.000 1.197 336 L HN 0.825 nan 8.230 nan 0.000 0.431 337 F N 2.611 122.604 119.950 0.072 0.000 2.607 337 F HA 0.632 5.159 4.527 0.001 0.000 0.322 337 F C -0.329 175.482 175.800 0.018 0.000 1.176 337 F CA -0.719 57.323 58.000 0.071 0.000 0.977 337 F CB 1.240 40.331 39.000 0.151 0.000 1.242 337 F HN 0.448 nan 8.300 nan 0.000 0.465 338 A N 3.651 126.135 122.820 -0.560 0.000 2.350 338 A HA 0.450 4.771 4.320 0.001 0.000 0.293 338 A C 0.573 177.686 177.584 -0.786 0.000 1.231 338 A CA 0.331 52.044 52.037 -0.541 0.000 0.883 338 A CB -0.043 18.658 19.000 -0.499 0.000 1.133 338 A HN 1.006 nan 8.150 nan 0.000 0.533 339 S N 1.180 116.653 115.700 -0.378 0.000 2.524 339 S HA 0.280 4.751 4.470 0.001 0.000 0.215 339 S C 0.247 174.587 174.600 -0.433 0.000 0.986 339 S CA 0.174 58.273 58.200 -0.167 0.000 0.911 339 S CB 0.160 63.466 63.200 0.176 0.000 0.805 339 S HN 0.797 nan 8.310 nan 0.000 0.501 340 E N -0.162 119.565 120.200 -0.788 0.000 2.481 340 E HA 0.570 4.921 4.350 0.001 0.000 0.301 340 E C -1.951 173.944 176.600 -1.175 0.000 0.948 340 E CA -0.345 55.459 56.400 -0.993 0.000 0.804 340 E CB 1.709 30.550 29.700 -1.432 0.000 1.265 340 E HN 0.342 nan 8.360 nan 0.000 0.406 341 A N 2.321 124.383 122.820 -1.264 0.000 2.475 341 A HA 0.910 5.230 4.320 0.001 0.000 0.301 341 A C -0.835 176.170 177.584 -0.965 0.000 1.059 341 A CA -0.438 50.537 52.037 -1.770 0.000 0.710 341 A CB 1.008 18.214 19.000 -2.990 0.000 1.288 341 A HN 0.850 nan 8.150 nan 0.000 0.408 342 C N -0.544 118.315 119.300 -0.734 0.000 3.306 342 C HA 0.904 5.365 4.460 0.001 0.000 0.335 342 C C -0.942 174.100 174.990 0.087 0.000 1.382 342 C CA -0.698 58.288 59.018 -0.053 0.000 1.254 342 C CB 0.797 28.662 27.740 0.208 0.000 1.555 342 C HN 1.356 nan 8.230 nan 0.000 0.463 343 V N 0.155 120.200 119.914 0.217 0.000 3.159 343 V HA 0.913 5.034 4.120 0.001 0.000 0.308 343 V C 0.715 176.821 176.094 0.019 0.000 1.190 343 V CA 1.029 63.404 62.300 0.126 0.000 1.037 343 V CB 2.012 34.009 31.823 0.289 0.000 1.060 343 V HN 2.544 nan 8.190 nan 0.000 0.437 344 G N 2.073 110.827 108.800 -0.077 0.000 2.192 344 G HA2 -0.211 3.750 3.960 0.001 0.000 0.193 344 G HA3 -0.211 3.750 3.960 0.001 0.000 0.193 344 G C 1.060 175.925 174.900 -0.058 0.000 0.999 344 G CA 1.058 46.102 45.100 -0.093 0.000 0.659 344 G HN 1.670 nan 8.290 nan 0.000 0.503 345 S N 0.689 116.379 115.700 -0.018 0.000 2.423 345 S HA -0.018 4.453 4.470 0.001 0.000 0.231 345 S C 1.339 175.977 174.600 0.064 0.000 1.014 345 S CA 1.380 59.691 58.200 0.185 0.000 0.965 345 S CB -0.392 63.027 63.200 0.366 0.000 0.785 345 S HN 0.958 nan 8.310 nan 0.000 0.495 346 K N 2.005 122.291 120.400 -0.190 0.000 2.437 346 K HA -0.001 4.319 4.320 0.001 0.000 0.277 346 K C 0.887 177.241 176.600 -0.410 0.000 1.073 346 K CA 0.320 56.376 56.287 -0.384 0.000 1.105 346 K CB -0.329 31.587 32.500 -0.973 0.000 0.881 346 K HN 0.435 nan 8.250 nan 0.000 0.475 347 F N 3.245 123.136 119.950 -0.099 0.000 2.184 347 F HA -0.192 4.336 4.527 0.001 0.000 0.301 347 F C 1.326 177.182 175.800 0.092 0.000 1.076 347 F CA 0.433 58.467 58.000 0.056 0.000 1.295 347 F CB -0.553 38.542 39.000 0.158 0.000 1.026 347 F HN 0.675 nan 8.300 nan 0.000 0.494 348 W N 1.270 122.018 121.300 -0.920 0.000 3.047 348 W HA 0.356 5.016 4.660 0.001 0.000 0.250 348 W C -0.254 176.107 176.519 -0.263 0.000 1.314 348 W CA -0.272 56.649 57.345 -0.706 0.000 1.540 348 W CB -1.186 27.775 29.460 -0.831 0.000 1.127 348 W HN 0.169 nan 8.180 nan 0.000 0.679 349 E N 1.619 121.573 120.200 -0.409 0.000 2.207 349 E HA 0.167 4.517 4.350 0.001 0.000 0.270 349 E C -0.567 175.945 176.600 -0.147 0.000 0.927 349 E CA -0.931 55.300 56.400 -0.282 0.000 0.799 349 E CB 1.521 30.909 29.700 -0.520 0.000 1.172 349 E HN -0.183 nan 8.360 nan 0.000 0.404 350 Q N 0.764 120.517 119.800 -0.078 0.000 2.304 350 Q HA -0.025 4.315 4.340 0.001 0.000 0.301 350 Q C 0.765 176.713 176.000 -0.086 0.000 1.063 350 Q CA 0.371 56.145 55.803 -0.049 0.000 0.947 350 Q CB 0.356 29.078 28.738 -0.028 0.000 1.201 350 Q HN 0.434 nan 8.270 nan 0.000 0.389 351 S N 0.601 116.281 115.700 -0.033 0.000 2.359 351 S HA -0.053 4.418 4.470 0.001 0.000 0.224 351 S C 0.599 175.161 174.600 -0.064 0.000 1.035 351 S CA 0.758 58.944 58.200 -0.022 0.000 1.018 351 S CB 0.311 63.521 63.200 0.016 0.000 0.876 351 S HN 0.454 nan 8.310 nan 0.000 0.448 352 V N 2.139 122.007 119.914 -0.077 0.000 2.398 352 V HA 0.408 4.528 4.120 0.001 0.000 0.286 352 V C -0.035 175.939 176.094 -0.200 0.000 1.026 352 V CA -0.553 61.677 62.300 -0.116 0.000 0.868 352 V CB 1.492 33.266 31.823 -0.081 0.000 0.982 352 V HN 0.175 nan 8.190 nan 0.000 0.443 353 R N 4.671 124.981 120.500 -0.315 0.000 2.335 353 R HA 0.445 4.786 4.340 0.001 0.000 0.302 353 R C -0.915 175.160 176.300 -0.375 0.000 1.147 353 R CA -0.631 55.088 56.100 -0.635 0.000 1.111 353 R CB 1.130 30.905 30.300 -0.875 0.000 1.122 353 R HN 0.625 nan 8.270 nan 0.000 0.557 354 L N 2.304 123.423 121.223 -0.174 0.000 2.654 354 L HA 0.005 4.346 4.340 0.001 0.000 0.271 354 L C 1.305 178.261 176.870 0.144 0.000 1.169 354 L CA 0.931 55.706 54.840 -0.107 0.000 0.947 354 L CB 0.426 42.160 42.059 -0.542 0.000 1.232 354 L HN 0.985 nan 8.230 nan 0.000 0.486 355 G N 2.000 110.874 108.800 0.123 0.000 2.141 355 G HA2 -0.274 3.686 3.960 0.001 0.000 0.231 355 G HA3 -0.274 3.686 3.960 0.001 0.000 0.231 355 G C 0.370 175.397 174.900 0.212 0.000 0.984 355 G CA 0.144 45.374 45.100 0.216 0.000 0.660 355 G HN 0.654 nan 8.290 nan 0.000 0.525 356 S N 0.189 115.940 115.700 0.086 0.000 2.457 356 S HA 0.219 4.689 4.470 0.001 0.000 0.294 356 S C 1.355 176.012 174.600 0.094 0.000 1.201 356 S CA 0.460 58.688 58.200 0.047 0.000 1.112 356 S CB -0.233 62.888 63.200 -0.132 0.000 1.018 356 S HN 0.427 nan 8.310 nan 0.000 0.511 357 W N 4.471 125.763 121.300 -0.013 0.000 2.338 357 W HA -0.203 4.457 4.660 0.001 0.000 0.304 357 W C 1.485 177.949 176.519 -0.092 0.000 1.212 357 W CA 1.931 59.260 57.345 -0.026 0.000 1.264 357 W CB -0.443 29.000 29.460 -0.029 0.000 1.142 357 W HN 0.898 nan 8.180 nan 0.000 0.512 358 D N -0.265 120.140 120.400 0.008 0.000 2.158 358 D HA -0.220 4.420 4.640 0.001 0.000 0.197 358 D C 2.226 178.421 176.300 -0.175 0.000 0.995 358 D CA 1.846 55.803 54.000 -0.071 0.000 0.846 358 D CB -0.113 40.679 40.800 -0.013 0.000 0.941 358 D HN 0.064 nan 8.370 nan 0.000 0.456 359 R N -0.557 119.833 120.500 -0.184 0.000 2.115 359 R HA 0.071 4.412 4.340 0.001 0.000 0.226 359 R C 2.488 178.611 176.300 -0.294 0.000 1.100 359 R CA 0.957 56.950 56.100 -0.179 0.000 0.980 359 R CB -0.347 29.851 30.300 -0.170 0.000 0.875 359 R HN 0.218 nan 8.270 nan 0.000 0.445 360 G N 1.317 109.813 108.800 -0.506 0.000 2.459 360 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 360 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 360 G C 1.469 175.722 174.900 -1.079 0.000 1.183 360 G CA 0.692 45.279 45.100 -0.855 0.000 0.776 360 G HN 0.131 nan 8.290 nan 0.000 0.552 361 M N 0.098 119.061 119.600 -1.061 0.000 2.144 361 M HA -0.162 4.318 4.480 0.001 0.000 0.260 361 M C 2.779 178.999 176.300 -0.133 0.000 1.067 361 M CA 1.533 56.546 55.300 -0.479 0.000 1.095 361 M CB -0.509 31.941 32.600 -0.249 0.000 1.365 361 M HN 0.328 nan 8.290 nan 0.000 0.406 362 Q N -0.686 119.059 119.800 -0.091 0.000 2.084 362 Q HA -0.189 4.152 4.340 0.001 0.000 0.202 362 Q C 1.951 178.017 176.000 0.109 0.000 0.978 362 Q CA 1.488 57.302 55.803 0.018 0.000 0.844 362 Q CB -0.264 28.503 28.738 0.048 0.000 0.898 362 Q HN 0.471 nan 8.270 nan 0.000 0.426 363 Y N 1.043 121.342 120.300 -0.002 0.000 2.097 363 Y HA -0.265 4.286 4.550 0.001 0.000 0.282 363 Y C 2.906 178.703 175.900 -0.173 0.000 1.152 363 Y CA 1.521 59.671 58.100 0.082 0.000 1.136 363 Y CB -0.721 37.814 38.460 0.125 0.000 0.975 363 Y HN 0.194 nan 8.280 nan 0.000 0.498 364 S N -1.294 114.481 115.700 0.124 0.000 2.371 364 S HA -0.238 4.232 4.470 0.001 0.000 0.224 364 S C 2.032 176.650 174.600 0.030 0.000 1.029 364 S CA 1.353 59.650 58.200 0.161 0.000 0.978 364 S CB -1.105 62.439 63.200 0.574 0.000 0.833 364 S HN 0.635 nan 8.310 nan 0.000 0.466 365 H N 1.173 120.228 119.070 -0.025 0.000 2.390 365 H HA -0.096 4.460 4.556 0.001 0.000 0.298 365 H C 2.371 177.595 175.328 -0.174 0.000 1.106 365 H CA 1.693 57.702 56.048 -0.066 0.000 1.297 365 H CB -0.265 29.458 29.762 -0.065 0.000 1.375 365 H HN 0.582 nan 8.280 nan 0.000 0.509 366 S N -0.067 115.434 115.700 -0.333 0.000 2.387 366 S HA -0.051 4.420 4.470 0.001 0.000 0.226 366 S C 2.313 176.702 174.600 -0.352 0.000 1.026 366 S CA 0.822 58.743 58.200 -0.465 0.000 0.972 366 S CB -0.244 62.511 63.200 -0.741 0.000 0.814 366 S HN 0.439 nan 8.310 nan 0.000 0.477 367 I N 1.164 121.352 120.570 -0.637 0.000 2.226 367 I HA -0.144 4.026 4.170 0.001 0.000 0.245 367 I C 2.246 178.070 176.117 -0.489 0.000 1.100 367 I CA 1.163 61.931 61.300 -0.887 0.000 1.374 367 I CB -0.394 36.630 38.000 -1.625 0.000 1.057 367 I HN 0.329 nan 8.210 nan 0.000 0.413 368 I N 0.454 120.798 120.570 -0.377 0.000 2.099 368 I HA -0.318 3.852 4.170 0.001 0.000 0.239 368 I C 2.624 178.672 176.117 -0.114 0.000 1.066 368 I CA 1.866 63.096 61.300 -0.117 0.000 1.324 368 I CB -0.711 37.307 38.000 0.030 0.000 1.037 368 I HN 0.239 nan 8.210 nan 0.000 0.401 369 T N 0.774 115.219 114.554 -0.182 0.000 2.624 369 T HA -0.229 4.122 4.350 0.001 0.000 0.268 369 T C 1.733 176.459 174.700 0.044 0.000 1.041 369 T CA 1.784 63.836 62.100 -0.080 0.000 1.159 369 T CB -0.570 68.159 68.868 -0.232 0.000 0.863 369 T HN 0.344 nan 8.240 nan 0.000 0.434 370 N N 1.013 119.711 118.700 -0.002 0.000 2.021 370 N HA -0.096 4.645 4.740 0.001 0.000 0.198 370 N C 1.971 177.506 175.510 0.042 0.000 1.041 370 N CA 1.345 54.444 53.050 0.080 0.000 0.862 370 N CB -0.436 38.169 38.487 0.196 0.000 1.048 370 N HN 0.336 nan 8.380 nan 0.000 0.427 371 L N 1.219 122.433 121.223 -0.015 0.000 2.083 371 L HA -0.121 4.219 4.340 0.001 0.000 0.209 371 L C 2.290 179.065 176.870 -0.157 0.000 1.083 371 L CA 0.736 55.554 54.840 -0.037 0.000 0.752 371 L CB -0.375 41.694 42.059 0.016 0.000 0.899 371 L HN 0.187 nan 8.230 nan 0.000 0.433 372 L N -1.521 119.581 121.223 -0.202 0.000 2.456 372 L HA -0.179 4.162 4.340 0.001 0.000 0.224 372 L C 0.594 176.976 176.870 -0.813 0.000 1.148 372 L CA 0.885 55.454 54.840 -0.452 0.000 0.825 372 L CB -0.185 41.655 42.059 -0.366 0.000 0.937 372 L HN 0.281 nan 8.230 nan 0.000 0.450 373 Y N -1.133 118.951 120.300 -0.360 0.000 2.669 373 Y HA 0.232 4.782 4.550 0.001 0.000 0.302 373 Y C 0.429 176.132 175.900 -0.328 0.000 1.000 373 Y CA -0.740 57.106 58.100 -0.424 0.000 1.222 373 Y CB -0.333 38.046 38.460 -0.135 0.000 1.209 373 Y HN 0.158 nan 8.280 nan 0.000 0.571 374 H N -2.951 116.068 119.070 -0.084 0.000 3.642 374 H HA -0.151 4.405 4.556 0.001 0.000 0.185 374 H C 0.093 175.429 175.328 0.013 0.000 0.992 374 H CA 0.596 56.581 56.048 -0.105 0.000 1.216 374 H CB -1.684 27.890 29.762 -0.313 0.000 1.055 374 H HN 0.120 nan 8.280 nan 0.000 0.351 375 V N 2.593 122.573 119.914 0.109 0.000 2.637 375 V HA 0.084 4.205 4.120 0.001 0.000 0.296 375 V C 1.958 178.096 176.094 0.073 0.000 1.046 375 V CA 0.639 63.003 62.300 0.107 0.000 1.066 375 V CB 1.622 33.496 31.823 0.085 0.000 0.968 375 V HN 0.338 nan 8.190 nan 0.000 0.483 376 V N 1.243 121.221 119.914 0.107 0.000 3.621 376 V HA 0.700 4.820 4.120 0.001 0.000 0.285 376 V C 0.636 176.735 176.094 0.009 0.000 1.346 376 V CA 0.804 63.167 62.300 0.105 0.000 1.104 376 V CB -0.069 31.870 31.823 0.194 0.000 0.913 376 V HN 0.989 nan 8.190 nan 0.000 0.432 377 G N -1.297 107.419 108.800 -0.140 0.000 2.601 377 G HA2 0.478 4.438 3.960 0.001 0.000 0.291 377 G HA3 0.478 4.438 3.960 0.001 0.000 0.291 377 G C -2.643 171.833 174.900 -0.706 0.000 1.456 377 G CA -0.631 44.176 45.100 -0.489 0.000 0.804 377 G HN 0.296 nan 8.290 nan 0.000 0.499 378 W N 1.000 121.742 121.300 -0.929 0.000 3.132 378 W HA 0.602 5.263 4.660 0.001 0.000 0.337 378 W C -0.765 175.492 176.519 -0.437 0.000 1.082 378 W CA -0.439 56.547 57.345 -0.599 0.000 1.242 378 W CB 2.390 31.671 29.460 -0.297 0.000 1.354 378 W HN 0.572 nan 8.180 nan 0.000 0.461 379 T N 4.003 118.226 114.554 -0.552 0.000 2.809 379 T HA 0.147 4.497 4.350 0.001 0.000 0.284 379 T C -0.720 173.639 174.700 -0.567 0.000 0.992 379 T CA -0.548 61.326 62.100 -0.378 0.000 0.957 379 T CB 1.493 70.219 68.868 -0.237 0.000 0.942 379 T HN 0.328 nan 8.240 nan 0.000 0.439 380 D N 1.023 121.275 120.400 -0.247 0.000 2.360 380 D HA 0.167 4.808 4.640 0.001 0.000 0.242 380 D C 0.356 176.632 176.300 -0.040 0.000 1.184 380 D CA -0.607 53.305 54.000 -0.147 0.000 0.930 380 D CB 0.878 41.816 40.800 0.231 0.000 1.161 380 D HN 0.556 nan 8.370 nan 0.000 0.447 381 W N 1.359 122.505 121.300 -0.256 0.000 1.629 381 W HA 0.069 4.729 4.660 0.001 0.000 0.623 381 W C 0.331 176.744 176.519 -0.176 0.000 1.622 381 W CA -0.699 56.508 57.345 -0.230 0.000 1.726 381 W CB 0.029 29.335 29.460 -0.256 0.000 3.165 381 W HN 0.239 nan 8.180 nan 0.000 0.794 382 N N 2.710 121.011 118.700 -0.666 0.000 2.294 382 N HA -0.131 4.610 4.740 0.001 0.000 0.263 382 N C 0.896 176.253 175.510 -0.255 0.000 1.281 382 N CA 0.617 53.255 53.050 -0.687 0.000 0.846 382 N CB 0.734 38.634 38.487 -0.978 0.000 1.061 382 N HN 0.351 nan 8.380 nan 0.000 0.478 383 L N 1.066 122.194 121.223 -0.158 0.000 2.127 383 L HA -0.119 4.222 4.340 0.001 0.000 0.211 383 L C 1.025 177.976 176.870 0.135 0.000 1.089 383 L CA 0.981 55.810 54.840 -0.018 0.000 0.757 383 L CB -0.135 41.903 42.059 -0.035 0.000 0.899 383 L HN 0.602 nan 8.230 nan 0.000 0.434 384 A N -0.717 122.093 122.820 -0.016 0.000 2.547 384 A HA 0.731 5.051 4.320 0.001 0.000 0.297 384 A C -1.136 176.387 177.584 -0.102 0.000 1.056 384 A CA -0.474 51.553 52.037 -0.017 0.000 0.688 384 A CB 1.423 20.415 19.000 -0.015 0.000 1.282 384 A HN 0.000 nan 8.150 nan 0.000 0.400 385 L N 1.162 122.341 121.223 -0.074 0.000 2.303 385 L HA 0.509 4.850 4.340 0.001 0.000 0.256 385 L C 0.008 176.866 176.870 -0.020 0.000 1.034 385 L CA -1.236 53.560 54.840 -0.073 0.000 0.832 385 L CB 2.284 44.283 42.059 -0.099 0.000 1.403 385 L HN 0.987 nan 8.230 nan 0.000 0.419 386 N N -0.204 118.495 118.700 -0.002 0.000 2.379 386 N HA 0.273 5.014 4.740 0.001 0.000 0.260 386 N C -2.394 173.127 175.510 0.018 0.000 1.254 386 N CA -1.613 51.446 53.050 0.015 0.000 0.958 386 N CB -0.064 38.436 38.487 0.021 0.000 1.208 386 N HN 0.175 nan 8.380 nan 0.000 0.532 387 P HA -0.028 nan 4.420 nan 0.000 0.231 387 P C -0.274 177.028 177.300 0.003 0.000 1.158 387 P CA 1.165 64.273 63.100 0.014 0.000 0.763 387 P CB 0.091 31.809 31.700 0.030 0.000 0.805 388 E N -1.580 118.629 120.200 0.014 0.000 2.501 388 E HA 0.314 4.665 4.350 0.001 0.000 0.201 388 E C 1.113 177.721 176.600 0.014 0.000 1.016 388 E CA 0.223 56.633 56.400 0.016 0.000 0.920 388 E CB -0.256 29.459 29.700 0.025 0.000 1.023 388 E HN 0.045 nan 8.360 nan 0.000 0.474 389 G N 0.684 109.491 108.800 0.012 0.000 2.160 389 G HA2 -0.222 3.738 3.960 0.001 0.000 0.244 389 G HA3 -0.222 3.738 3.960 0.001 0.000 0.244 389 G C 0.374 175.329 174.900 0.092 0.000 1.022 389 G CA -0.081 45.035 45.100 0.028 0.000 0.741 389 G HN 0.506 nan 8.290 nan 0.000 0.508 390 G N -0.732 108.106 108.800 0.064 0.000 3.175 390 G HA2 0.874 4.835 3.960 0.001 0.000 0.255 390 G HA3 0.874 4.835 3.960 0.001 0.000 0.255 390 G C -2.816 172.130 174.900 0.076 0.000 1.352 390 G CA -0.852 44.292 45.100 0.073 0.000 1.037 390 G HN 0.211 nan 8.290 nan 0.000 0.556 391 P HA 0.176 nan 4.420 nan 0.000 0.279 391 P C -1.127 176.168 177.300 -0.007 0.000 1.239 391 P CA -0.330 62.792 63.100 0.036 0.000 0.789 391 P CB 1.392 33.118 31.700 0.043 0.000 0.933 392 N N 2.857 121.480 118.700 -0.127 0.000 2.454 392 N HA 0.070 4.811 4.740 0.001 0.000 0.291 392 N C 0.835 176.246 175.510 -0.166 0.000 1.079 392 N CA -0.683 52.151 53.050 -0.360 0.000 0.893 392 N CB 1.166 39.193 38.487 -0.767 0.000 1.512 392 N HN 0.549 nan 8.380 nan 0.000 0.497 393 W N 4.334 125.534 121.300 -0.166 0.000 2.825 393 W HA 0.100 4.760 4.660 0.000 0.000 0.243 393 W C -0.598 175.902 176.519 -0.031 0.000 1.293 393 W CA 0.099 57.401 57.345 -0.071 0.000 1.403 393 W CB -0.323 29.113 29.460 -0.041 0.000 1.134 393 W HN 0.225 nan 8.180 nan 0.000 0.666 394 V N 0.511 120.057 119.914 -0.613 0.000 2.996 394 V HA 0.295 4.416 4.120 0.001 0.000 0.235 394 V C 0.329 176.306 176.094 -0.195 0.000 1.205 394 V CA 0.790 62.761 62.300 -0.549 0.000 1.225 394 V CB 0.064 31.473 31.823 -0.690 0.000 0.995 394 V HN 0.038 nan 8.190 nan 0.000 0.484 395 R N -0.769 119.654 120.500 -0.127 0.000 3.197 395 R HA 0.183 4.524 4.340 0.001 0.000 0.261 395 R C -0.482 175.840 176.300 0.037 0.000 1.015 395 R CA -0.240 55.879 56.100 0.032 0.000 0.949 395 R CB 0.616 31.002 30.300 0.144 0.000 1.256 395 R HN 0.023 nan 8.270 nan 0.000 0.514 396 N N 2.639 121.352 118.700 0.022 0.000 2.300 396 N HA -0.050 4.691 4.740 0.001 0.000 0.179 396 N C 1.174 176.600 175.510 -0.139 0.000 1.016 396 N CA 1.304 54.295 53.050 -0.098 0.000 0.876 396 N CB -0.529 37.946 38.487 -0.019 0.000 0.979 396 N HN 0.603 nan 8.380 nan 0.000 0.432 397 F N -0.190 119.808 119.950 0.081 0.000 2.707 397 F HA -0.337 4.191 4.527 0.001 0.000 0.367 397 F C 0.398 176.299 175.800 0.169 0.000 0.710 397 F CA 0.906 58.990 58.000 0.140 0.000 0.976 397 F CB -1.783 37.335 39.000 0.197 0.000 1.382 397 F HN -0.063 nan 8.300 nan 0.000 0.309 398 V N -2.625 117.237 119.914 -0.087 0.000 2.960 398 V HA 0.648 4.768 4.120 0.001 0.000 0.315 398 V C 0.061 176.149 176.094 -0.011 0.000 1.087 398 V CA -0.796 61.519 62.300 0.025 0.000 0.982 398 V CB 1.806 33.685 31.823 0.095 0.000 1.039 398 V HN 0.200 nan 8.190 nan 0.000 0.437 399 D N 0.749 121.144 120.400 -0.009 0.000 2.433 399 D HA 0.625 5.265 4.640 0.001 0.000 0.255 399 D C -0.409 175.863 176.300 -0.045 0.000 1.226 399 D CA 0.230 54.203 54.000 -0.045 0.000 1.015 399 D CB 1.946 42.703 40.800 -0.072 0.000 1.091 399 D HN 0.940 nan 8.370 nan 0.000 0.527 400 S N -1.021 114.649 115.700 -0.050 0.000 2.537 400 S HA 0.446 4.916 4.470 0.001 0.000 0.270 400 S C -2.357 172.254 174.600 0.019 0.000 1.142 400 S CA -1.163 57.026 58.200 -0.017 0.000 0.870 400 S CB 1.772 64.933 63.200 -0.065 0.000 1.112 400 S HN 0.092 nan 8.310 nan 0.000 0.466 401 P HA 0.211 nan 4.420 nan 0.000 0.221 401 P C -0.257 177.126 177.300 0.138 0.000 1.150 401 P CA 0.855 64.039 63.100 0.140 0.000 0.800 401 P CB 0.082 31.967 31.700 0.309 0.000 0.787 402 I N -0.132 120.517 120.570 0.132 0.000 2.406 402 I HA 0.296 4.467 4.170 0.001 0.000 0.290 402 I C -0.205 175.946 176.117 0.058 0.000 0.999 402 I CA -0.786 60.546 61.300 0.053 0.000 1.124 402 I CB 1.908 39.871 38.000 -0.062 0.000 1.289 402 I HN -0.280 nan 8.210 nan 0.000 0.441 403 I N 6.707 127.332 120.570 0.093 0.000 2.406 403 I HA 0.333 4.503 4.170 0.001 0.000 0.290 403 I C -0.476 175.687 176.117 0.077 0.000 0.999 403 I CA -0.718 60.634 61.300 0.086 0.000 1.124 403 I CB 2.096 40.164 38.000 0.113 0.000 1.289 403 I HN 0.162 nan 8.210 nan 0.000 0.441 404 V N 5.039 124.973 119.914 0.034 0.000 2.439 404 V HA 0.265 4.385 4.120 0.001 0.000 0.282 404 V C -0.274 175.823 176.094 0.005 0.000 1.039 404 V CA -0.400 61.904 62.300 0.007 0.000 0.913 404 V CB 1.584 33.404 31.823 -0.005 0.000 0.983 404 V HN 0.609 nan 8.190 nan 0.000 0.460 405 D N 4.485 124.858 120.400 -0.046 0.000 2.460 405 D HA 0.187 4.828 4.640 0.001 0.000 0.268 405 D C 1.044 177.347 176.300 0.005 0.000 1.153 405 D CA -0.466 53.542 54.000 0.013 0.000 0.929 405 D CB 0.938 41.776 40.800 0.063 0.000 1.015 405 D HN 0.464 nan 8.370 nan 0.000 0.502 406 I N 1.948 122.528 120.570 0.018 0.000 2.756 406 I HA -0.138 4.032 4.170 0.001 0.000 0.262 406 I C 1.464 177.593 176.117 0.021 0.000 1.225 406 I CA 1.386 62.696 61.300 0.016 0.000 1.472 406 I CB -1.480 36.529 38.000 0.015 0.000 1.094 406 I HN 0.230 nan 8.210 nan 0.000 0.454 407 T N -0.937 113.635 114.554 0.030 0.000 2.995 407 T HA -0.027 4.324 4.350 0.001 0.000 0.269 407 T C 1.553 176.272 174.700 0.031 0.000 1.091 407 T CA 0.799 62.919 62.100 0.032 0.000 1.128 407 T CB -0.315 68.578 68.868 0.041 0.000 0.891 407 T HN 0.496 nan 8.240 nan 0.000 0.492 408 K N 0.677 121.095 120.400 0.030 0.000 2.373 408 K HA 0.141 4.461 4.320 0.001 0.000 0.202 408 K C 0.189 176.790 176.600 0.002 0.000 1.025 408 K CA 0.174 56.476 56.287 0.024 0.000 1.115 408 K CB 0.287 32.815 32.500 0.046 0.000 0.858 408 K HN 0.130 nan 8.250 nan 0.000 0.525 409 D N 2.548 122.951 120.400 0.005 0.000 2.702 409 D HA -0.165 4.475 4.640 0.001 0.000 0.233 409 D C -0.667 175.629 176.300 -0.006 0.000 1.164 409 D CA 1.338 55.344 54.000 0.010 0.000 0.638 409 D CB -0.767 40.043 40.800 0.017 0.000 1.041 409 D HN 0.434 nan 8.370 nan 0.000 0.422 410 T N -1.717 112.799 114.554 -0.064 0.000 2.916 410 T HA 0.748 5.098 4.350 0.001 0.000 0.292 410 T C -0.266 174.284 174.700 -0.250 0.000 1.055 410 T CA -0.910 61.072 62.100 -0.197 0.000 1.009 410 T CB 1.645 70.341 68.868 -0.287 0.000 1.118 410 T HN 0.295 nan 8.240 nan 0.000 0.497 411 F N -0.273 119.408 119.950 -0.448 0.000 2.588 411 F HA 0.802 5.330 4.527 0.001 0.000 0.314 411 F C -1.874 173.598 175.800 -0.547 0.000 1.069 411 F CA -1.758 55.949 58.000 -0.489 0.000 0.931 411 F CB 1.203 40.046 39.000 -0.262 0.000 1.260 411 F HN 0.597 nan 8.300 nan 0.000 0.465 412 Y N 1.205 121.554 120.300 0.082 0.000 2.352 412 Y HA 0.481 5.031 4.550 0.001 0.000 0.339 412 Y C -0.220 175.694 175.900 0.023 0.000 0.992 412 Y CA -1.079 57.025 58.100 0.007 0.000 1.100 412 Y CB 1.933 40.401 38.460 0.013 0.000 1.192 412 Y HN 0.438 nan 8.280 nan 0.000 0.458 413 K N 4.367 124.840 120.400 0.122 0.000 2.268 413 K HA 0.223 4.543 4.320 0.001 0.000 0.276 413 K C -0.364 176.358 176.600 0.203 0.000 1.080 413 K CA -0.593 55.674 56.287 -0.033 0.000 0.910 413 K CB 0.919 33.224 32.500 -0.324 0.000 1.163 413 K HN 0.646 nan 8.250 nan 0.000 0.465 414 Q N 2.175 122.083 119.800 0.180 0.000 2.368 414 Q HA 0.061 4.401 4.340 0.001 0.000 0.237 414 Q C -1.704 174.513 176.000 0.362 0.000 0.987 414 Q CA -1.585 54.348 55.803 0.218 0.000 0.896 414 Q CB 0.394 29.188 28.738 0.094 0.000 1.241 414 Q HN 0.275 nan 8.270 nan 0.000 0.485 415 P HA -0.182 nan 4.420 nan 0.000 0.217 415 P C 1.233 178.690 177.300 0.261 0.000 1.148 415 P CA 1.591 64.932 63.100 0.402 0.000 0.828 415 P CB 0.085 31.930 31.700 0.242 0.000 0.783 416 M N -2.629 116.986 119.600 0.026 0.000 2.106 416 M HA -0.213 4.267 4.480 0.001 0.000 0.259 416 M C 1.986 178.357 176.300 0.118 0.000 1.068 416 M CA 1.885 57.117 55.300 -0.114 0.000 1.100 416 M CB -0.886 31.435 32.600 -0.465 0.000 1.351 416 M HN -0.080 nan 8.290 nan 0.000 0.404 417 F N 0.031 119.969 119.950 -0.020 0.000 2.095 417 F HA -0.291 4.236 4.527 0.001 0.000 0.298 417 F C 1.842 177.535 175.800 -0.179 0.000 1.104 417 F CA 1.772 59.681 58.000 -0.151 0.000 1.232 417 F CB -0.396 38.334 39.000 -0.450 0.000 0.987 417 F HN 0.042 nan 8.300 nan 0.000 0.475 418 Y N -0.873 119.646 120.300 0.364 0.000 2.263 418 Y HA -0.172 4.379 4.550 0.001 0.000 0.292 418 Y C 2.778 178.828 175.900 0.251 0.000 1.130 418 Y CA 1.663 59.932 58.100 0.281 0.000 1.179 418 Y CB -1.043 37.650 38.460 0.388 0.000 0.998 418 Y HN 0.134 nan 8.280 nan 0.000 0.532 419 H N -0.246 118.998 119.070 0.290 0.000 2.387 419 H HA -0.180 4.377 4.556 0.001 0.000 0.299 419 H C 2.235 177.742 175.328 0.298 0.000 1.099 419 H CA 1.830 58.018 56.048 0.232 0.000 1.315 419 H CB -0.284 29.516 29.762 0.062 0.000 1.380 419 H HN 0.341 nan 8.280 nan 0.000 0.513 420 L N -0.211 121.192 121.223 0.300 0.000 1.994 420 L HA -0.106 4.234 4.340 0.001 0.000 0.208 420 L C 2.902 179.801 176.870 0.048 0.000 1.071 420 L CA 1.351 56.309 54.840 0.197 0.000 0.745 420 L CB -0.568 41.628 42.059 0.228 0.000 0.892 420 L HN 0.277 nan 8.230 nan 0.000 0.431 421 G N -2.147 106.551 108.800 -0.170 0.000 2.448 421 G HA2 -0.248 3.713 3.960 0.001 0.000 0.219 421 G HA3 -0.248 3.713 3.960 0.001 0.000 0.219 421 G C 1.368 176.058 174.900 -0.350 0.000 1.127 421 G CA 0.322 45.210 45.100 -0.354 0.000 0.766 421 G HN 0.419 nan 8.290 nan 0.000 0.552 422 H N -0.726 118.255 119.070 -0.148 0.000 2.518 422 H HA -0.028 4.528 4.556 0.001 0.000 0.292 422 H C 1.767 176.863 175.328 -0.387 0.000 1.068 422 H CA 1.143 57.095 56.048 -0.161 0.000 1.275 422 H CB 0.092 29.686 29.762 -0.281 0.000 1.375 422 H HN 0.501 nan 8.280 nan 0.000 0.563 423 F N -0.347 119.499 119.950 -0.175 0.000 2.479 423 F HA -0.058 4.469 4.527 0.001 0.000 0.280 423 F C 2.819 178.144 175.800 -0.791 0.000 0.982 423 F CA 0.633 58.353 58.000 -0.467 0.000 1.276 423 F CB -0.614 37.958 39.000 -0.714 0.000 1.137 423 F HN -0.011 nan 8.300 nan 0.000 0.660 424 S N 0.536 115.814 115.700 -0.703 0.000 2.383 424 S HA -0.263 4.208 4.470 0.001 0.000 0.229 424 S C 1.962 176.323 174.600 -0.398 0.000 1.030 424 S CA 1.574 59.433 58.200 -0.568 0.000 1.002 424 S CB -0.634 62.493 63.200 -0.121 0.000 0.829 424 S HN 0.386 nan 8.310 nan 0.000 0.467 425 K N 0.295 120.312 120.400 -0.638 0.000 2.155 425 K HA 0.085 4.405 4.320 0.001 0.000 0.203 425 K C 0.887 176.952 176.600 -0.893 0.000 1.052 425 K CA 1.135 56.849 56.287 -0.955 0.000 0.948 425 K CB -0.145 31.377 32.500 -1.629 0.000 0.728 425 K HN 0.565 nan 8.250 nan 0.000 0.448 426 F N 0.027 119.821 119.950 -0.260 0.000 2.678 426 F HA 0.301 4.829 4.527 0.001 0.000 0.305 426 F C 0.147 175.924 175.800 -0.038 0.000 1.090 426 F CA -0.520 57.393 58.000 -0.144 0.000 1.272 426 F CB 0.827 39.725 39.000 -0.170 0.000 1.060 426 F HN -0.176 nan 8.300 nan 0.000 0.576 427 I N 2.983 123.569 120.570 0.027 0.000 2.668 427 I HA 0.241 4.411 4.170 0.001 0.000 0.276 427 I C -2.449 173.708 176.117 0.066 0.000 1.139 427 I CA -2.006 59.344 61.300 0.084 0.000 1.133 427 I CB 0.625 38.774 38.000 0.248 0.000 1.327 427 I HN -0.231 nan 8.210 nan 0.000 0.520 428 P HA 0.042 nan 4.420 nan 0.000 0.272 428 P C -0.137 177.163 177.300 -0.000 0.000 1.240 428 P CA -0.232 62.833 63.100 -0.058 0.000 0.791 428 P CB 0.870 32.478 31.700 -0.153 0.000 0.978 429 E N -0.155 120.049 120.200 0.006 0.000 2.452 429 E HA 0.182 4.533 4.350 0.001 0.000 0.261 429 E C 1.076 177.675 176.600 -0.002 0.000 0.987 429 E CA 0.971 57.369 56.400 -0.003 0.000 0.926 429 E CB -0.600 29.078 29.700 -0.037 0.000 0.934 429 E HN 0.774 nan 8.360 nan 0.000 0.452 430 G N 2.981 111.791 108.800 0.016 0.000 2.213 430 G HA2 -0.275 3.686 3.960 0.001 0.000 0.236 430 G HA3 -0.275 3.686 3.960 0.001 0.000 0.236 430 G C 0.242 175.171 174.900 0.048 0.000 0.991 430 G CA 0.142 45.259 45.100 0.029 0.000 0.629 430 G HN 0.597 nan 8.290 nan 0.000 0.517 431 S N 0.347 116.079 115.700 0.053 0.000 2.563 431 S HA 0.412 4.883 4.470 0.001 0.000 0.284 431 S C 0.212 174.877 174.600 0.108 0.000 1.331 431 S CA 0.536 58.792 58.200 0.092 0.000 1.047 431 S CB 1.487 64.758 63.200 0.119 0.000 0.859 431 S HN 0.661 nan 8.310 nan 0.000 0.514 432 Q N 1.580 121.448 119.800 0.114 0.000 2.340 432 Q HA 0.332 4.672 4.340 0.001 0.000 0.268 432 Q C -0.470 175.613 176.000 0.139 0.000 1.031 432 Q CA -0.763 55.110 55.803 0.116 0.000 0.804 432 Q CB 1.124 29.915 28.738 0.088 0.000 1.286 432 Q HN 0.588 nan 8.270 nan 0.000 0.448 433 R N 2.287 122.890 120.500 0.172 0.000 2.590 433 R HA 0.288 4.628 4.340 0.001 0.000 0.274 433 R C -0.469 176.013 176.300 0.304 0.000 1.061 433 R CA 0.184 56.405 56.100 0.202 0.000 1.081 433 R CB 0.473 30.876 30.300 0.172 0.000 0.984 433 R HN 0.526 nan 8.270 nan 0.000 0.448 434 V N 0.454 120.534 119.914 0.277 0.000 3.167 434 V HA 0.722 4.842 4.120 0.001 0.000 0.310 434 V C 0.109 176.403 176.094 0.335 0.000 1.207 434 V CA -0.758 61.717 62.300 0.292 0.000 1.059 434 V CB 1.409 33.302 31.823 0.117 0.000 1.079 434 V HN 0.833 nan 8.190 nan 0.000 0.446 435 G N 0.361 109.349 108.800 0.313 0.000 2.441 435 G HA2 0.518 4.478 3.960 0.001 0.000 0.243 435 G HA3 0.518 4.478 3.960 0.001 0.000 0.243 435 G C -1.061 173.924 174.900 0.142 0.000 1.281 435 G CA -0.012 45.252 45.100 0.273 0.000 0.854 435 G HN 1.278 nan 8.290 nan 0.000 0.560 436 L N 2.668 123.949 121.223 0.097 0.000 2.528 436 L HA 0.481 4.822 4.340 0.001 0.000 0.267 436 L C -0.801 176.098 176.870 0.049 0.000 0.961 436 L CA -0.505 54.377 54.840 0.069 0.000 0.866 436 L CB 2.273 44.370 42.059 0.064 0.000 1.248 436 L HN 0.336 nan 8.230 nan 0.000 0.404 437 V N 4.431 124.375 119.914 0.048 0.000 2.398 437 V HA 0.818 4.939 4.120 0.001 0.000 0.286 437 V C 0.472 176.588 176.094 0.036 0.000 1.026 437 V CA -0.353 61.972 62.300 0.042 0.000 0.868 437 V CB 1.465 33.316 31.823 0.047 0.000 0.982 437 V HN 0.901 nan 8.190 nan 0.000 0.443 438 A N 3.428 126.267 122.820 0.031 0.000 2.331 438 A HA 0.534 4.854 4.320 0.001 0.000 0.283 438 A C 1.196 178.801 177.584 0.034 0.000 1.142 438 A CA 0.183 52.239 52.037 0.030 0.000 0.812 438 A CB 0.779 19.795 19.000 0.026 0.000 1.074 438 A HN 1.096 nan 8.150 nan 0.000 0.497 439 S N 1.143 116.866 115.700 0.038 0.000 2.489 439 S HA 0.098 4.569 4.470 0.001 0.000 0.228 439 S C 0.518 175.137 174.600 0.032 0.000 0.995 439 S CA 0.734 58.959 58.200 0.041 0.000 0.934 439 S CB -0.421 62.812 63.200 0.055 0.000 0.771 439 S HN 0.977 nan 8.310 nan 0.000 0.522 440 Q N -0.523 119.293 119.800 0.027 0.000 2.578 440 Q HA 0.419 4.760 4.340 0.001 0.000 0.284 440 Q C -1.496 174.517 176.000 0.020 0.000 0.960 440 Q CA -1.168 54.648 55.803 0.022 0.000 0.809 440 Q CB 0.829 29.577 28.738 0.018 0.000 1.462 440 Q HN 0.050 nan 8.270 nan 0.000 0.392 441 K N 1.167 121.578 120.400 0.019 0.000 2.524 441 K HA 0.066 4.386 4.320 0.001 0.000 0.279 441 K C -0.871 175.738 176.600 0.016 0.000 0.993 441 K CA 1.009 57.307 56.287 0.019 0.000 1.030 441 K CB 0.175 32.686 32.500 0.018 0.000 0.891 441 K HN 0.789 nan 8.250 nan 0.000 0.488 442 N N 0.794 119.505 118.700 0.018 0.000 2.927 442 N HA 0.166 4.907 4.740 0.001 0.000 0.248 442 N C -1.179 174.340 175.510 0.015 0.000 1.443 442 N CA -0.868 52.190 53.050 0.013 0.000 0.870 442 N CB 1.143 39.638 38.487 0.013 0.000 1.444 442 N HN 0.249 nan 8.380 nan 0.000 0.519 443 D N -0.158 120.246 120.400 0.006 0.000 2.328 443 D HA 0.216 4.856 4.640 0.001 0.000 0.221 443 D C -0.063 176.244 176.300 0.012 0.000 1.072 443 D CA 0.241 54.244 54.000 0.005 0.000 0.850 443 D CB -0.006 40.787 40.800 -0.013 0.000 0.922 443 D HN 0.382 nan 8.370 nan 0.000 0.516 444 L N 0.234 121.471 121.223 0.022 0.000 2.387 444 L HA 0.394 4.734 4.340 0.001 0.000 0.266 444 L C 0.359 177.270 176.870 0.068 0.000 1.059 444 L CA -0.710 54.152 54.840 0.037 0.000 0.801 444 L CB 1.250 43.325 42.059 0.027 0.000 1.223 444 L HN -0.270 nan 8.230 nan 0.000 0.456 445 D N 1.028 121.487 120.400 0.098 0.000 2.375 445 D HA 0.630 5.271 4.640 0.001 0.000 0.247 445 D C -0.839 175.529 176.300 0.114 0.000 1.061 445 D CA -0.135 53.941 54.000 0.127 0.000 0.834 445 D CB 2.539 43.466 40.800 0.212 0.000 1.247 445 D HN 0.594 nan 8.370 nan 0.000 0.489 446 A N 1.476 124.352 122.820 0.094 0.000 2.515 446 A HA 0.679 5.000 4.320 0.001 0.000 0.298 446 A C -1.447 176.187 177.584 0.083 0.000 1.059 446 A CA -0.759 51.335 52.037 0.095 0.000 0.698 446 A CB 2.261 21.307 19.000 0.076 0.000 1.289 446 A HN 0.345 nan 8.150 nan 0.000 0.404 447 V N 0.632 120.611 119.914 0.107 0.000 2.851 447 V HA 0.814 4.935 4.120 0.001 0.000 0.307 447 V C -0.576 175.581 176.094 0.104 0.000 1.129 447 V CA 0.211 62.567 62.300 0.094 0.000 0.932 447 V CB 1.759 33.662 31.823 0.133 0.000 1.024 447 V HN 2.056 nan 8.190 nan 0.000 0.426 448 A N 6.489 129.359 122.820 0.083 0.000 2.350 448 A HA 0.998 5.319 4.320 0.001 0.000 0.324 448 A C -1.475 176.157 177.584 0.080 0.000 1.118 448 A CA -0.523 51.558 52.037 0.074 0.000 0.783 448 A CB 1.427 20.472 19.000 0.074 0.000 1.236 448 A HN 0.926 nan 8.150 nan 0.000 0.457 449 L N 0.981 122.240 121.223 0.059 0.000 2.409 449 L HA 0.644 4.984 4.340 0.001 0.000 0.255 449 L C -0.307 176.582 176.870 0.032 0.000 1.027 449 L CA -0.133 54.760 54.840 0.088 0.000 0.834 449 L CB 2.036 44.186 42.059 0.152 0.000 1.426 449 L HN 0.731 nan 8.230 nan 0.000 0.411 450 M N 0.631 120.271 119.600 0.066 0.000 2.190 450 M HA 0.417 4.897 4.480 0.001 0.000 0.312 450 M C -0.631 175.758 176.300 0.147 0.000 0.990 450 M CA -0.472 54.846 55.300 0.029 0.000 0.927 450 M CB 1.486 34.087 32.600 0.002 0.000 1.571 450 M HN 0.582 nan 8.290 nan 0.000 0.427 451 H N 3.083 122.138 119.070 -0.026 0.000 2.913 451 H HA -0.016 4.541 4.556 0.001 0.000 0.365 451 H C -1.537 173.789 175.328 -0.004 0.000 1.155 451 H CA -1.212 54.836 56.048 0.001 0.000 1.417 451 H CB 0.220 29.983 29.762 0.002 0.000 1.386 451 H HN 0.436 nan 8.280 nan 0.000 0.614 452 P HA -0.212 nan 4.420 nan 0.000 0.217 452 P C 0.838 178.164 177.300 0.043 0.000 1.148 452 P CA 1.764 64.900 63.100 0.059 0.000 0.834 452 P CB 0.039 31.759 31.700 0.033 0.000 0.783 453 D N -2.459 117.974 120.400 0.056 0.000 2.340 453 D HA 0.103 4.743 4.640 0.001 0.000 0.220 453 D C 1.391 177.666 176.300 -0.042 0.000 1.039 453 D CA 0.572 54.569 54.000 -0.006 0.000 0.866 453 D CB -0.783 40.000 40.800 -0.028 0.000 0.913 453 D HN 0.242 nan 8.370 nan 0.000 0.523 454 G N -0.012 108.776 108.800 -0.019 0.000 2.195 454 G HA2 -0.276 3.684 3.960 0.001 0.000 0.246 454 G HA3 -0.276 3.684 3.960 0.001 0.000 0.246 454 G C 0.450 175.279 174.900 -0.118 0.000 0.984 454 G CA 0.354 45.421 45.100 -0.056 0.000 0.633 454 G HN 0.815 nan 8.290 nan 0.000 0.525 455 S N -0.039 115.560 115.700 -0.167 0.000 2.624 455 S HA 0.808 5.278 4.470 0.001 0.000 0.263 455 S C 0.368 174.688 174.600 -0.466 0.000 1.287 455 S CA 0.474 58.498 58.200 -0.292 0.000 0.990 455 S CB 2.058 65.096 63.200 -0.270 0.000 0.950 455 S HN 1.906 nan 8.310 nan 0.000 0.561 456 A N 0.375 122.775 122.820 -0.700 0.000 2.324 456 A HA 0.745 5.066 4.320 0.001 0.000 0.330 456 A C -0.604 176.458 177.584 -0.869 0.000 1.165 456 A CA -0.844 50.639 52.037 -0.923 0.000 0.813 456 A CB 1.193 19.198 19.000 -1.659 0.000 1.197 456 A HN 1.458 nan 8.150 nan 0.000 0.484 457 V N 3.530 123.127 119.914 -0.529 0.000 2.577 457 V HA 0.661 4.781 4.120 0.001 0.000 0.303 457 V C -1.352 174.674 176.094 -0.115 0.000 1.042 457 V CA -0.353 61.790 62.300 -0.262 0.000 0.872 457 V CB 1.734 33.549 31.823 -0.013 0.000 0.998 457 V HN 0.770 nan 8.190 nan 0.000 0.423 458 V N 6.991 126.916 119.914 0.018 0.000 2.487 458 V HA 0.563 4.684 4.120 0.001 0.000 0.298 458 V C -0.297 175.902 176.094 0.175 0.000 1.028 458 V CA -0.597 61.790 62.300 0.146 0.000 0.860 458 V CB 1.967 33.950 31.823 0.266 0.000 0.991 458 V HN 0.710 nan 8.190 nan 0.000 0.427 459 V N 5.283 125.253 119.914 0.094 0.000 2.472 459 V HA 0.580 4.701 4.120 0.001 0.000 0.290 459 V C -0.284 175.864 176.094 0.090 0.000 1.037 459 V CA -0.563 61.740 62.300 0.004 0.000 0.908 459 V CB 1.890 33.554 31.823 -0.265 0.000 0.985 459 V HN 0.607 nan 8.190 nan 0.000 0.454 460 V N 5.838 125.813 119.914 0.102 0.000 2.443 460 V HA 0.433 4.554 4.120 0.001 0.000 0.293 460 V C -0.632 175.493 176.094 0.051 0.000 1.021 460 V CA -0.491 61.876 62.300 0.111 0.000 0.848 460 V CB 1.621 33.549 31.823 0.174 0.000 0.998 460 V HN 0.677 nan 8.190 nan 0.000 0.424 461 L N 4.687 125.958 121.223 0.080 0.000 2.296 461 L HA 0.649 4.990 4.340 0.001 0.000 0.286 461 L C -0.208 176.715 176.870 0.089 0.000 1.023 461 L CA 0.151 55.053 54.840 0.103 0.000 0.812 461 L CB 1.435 43.603 42.059 0.181 0.000 1.223 461 L HN 0.614 nan 8.230 nan 0.000 0.421 462 N N 4.145 122.898 118.700 0.088 0.000 2.546 462 N HA 0.301 5.042 4.740 0.001 0.000 0.238 462 N C 0.220 175.805 175.510 0.125 0.000 0.984 462 N CA -0.192 52.891 53.050 0.056 0.000 0.935 462 N CB 0.743 39.219 38.487 -0.018 0.000 1.122 462 N HN 0.645 nan 8.380 nan 0.000 0.510 463 R N 0.498 121.059 120.500 0.101 0.000 2.320 463 R HA 0.073 4.413 4.340 0.001 0.000 0.211 463 R C 0.523 176.859 176.300 0.060 0.000 0.931 463 R CA -0.000 56.193 56.100 0.155 0.000 1.071 463 R CB 0.109 30.442 30.300 0.055 0.000 1.025 463 R HN 0.534 nan 8.270 nan 0.000 0.495 464 S N -0.775 114.850 115.700 -0.125 0.000 2.713 464 S HA 0.138 4.608 4.470 0.001 0.000 0.283 464 S C 1.169 175.304 174.600 -0.774 0.000 1.161 464 S CA -0.554 57.476 58.200 -0.284 0.000 0.999 464 S CB 1.903 65.009 63.200 -0.157 0.000 1.039 464 S HN 0.120 nan 8.310 nan 0.000 0.548 465 S N 0.200 115.475 115.700 -0.708 0.000 2.527 465 S HA 0.132 4.603 4.470 0.001 0.000 0.222 465 S C 0.114 174.518 174.600 -0.327 0.000 0.985 465 S CA -0.194 57.568 58.200 -0.729 0.000 0.921 465 S CB -0.663 62.410 63.200 -0.211 0.000 0.772 465 S HN 0.769 nan 8.310 nan 0.000 0.529 466 K N 2.029 122.293 120.400 -0.228 0.000 2.156 466 K HA 0.472 4.792 4.320 0.001 0.000 0.271 466 K C -1.253 175.279 176.600 -0.113 0.000 0.995 466 K CA -0.790 55.422 56.287 -0.125 0.000 0.890 466 K CB 0.510 32.961 32.500 -0.082 0.000 1.073 466 K HN -0.068 nan 8.250 nan 0.000 0.454 467 D N 1.468 121.823 120.400 -0.076 0.000 2.455 467 D HA 0.059 4.699 4.640 0.001 0.000 0.241 467 D C -0.574 175.697 176.300 -0.047 0.000 1.138 467 D CA -0.028 53.938 54.000 -0.057 0.000 0.877 467 D CB 0.897 41.678 40.800 -0.032 0.000 1.187 467 D HN 0.094 nan 8.370 nan 0.000 0.451 468 V N 5.238 125.124 119.914 -0.047 0.000 2.349 468 V HA 0.252 4.372 4.120 0.001 0.000 0.284 468 V C -2.134 173.946 176.094 -0.024 0.000 1.014 468 V CA -1.573 60.706 62.300 -0.036 0.000 0.826 468 V CB 1.606 33.406 31.823 -0.039 0.000 1.009 468 V HN 0.438 nan 8.190 nan 0.000 0.431 469 P HA 0.314 nan 4.420 nan 0.000 0.271 469 P C -0.925 176.369 177.300 -0.010 0.000 1.216 469 P CA -0.209 62.887 63.100 -0.006 0.000 0.771 469 P CB 1.696 33.395 31.700 -0.001 0.000 0.864 470 L N 2.788 124.000 121.223 -0.019 0.000 2.493 470 L HA 0.503 4.843 4.340 0.001 0.000 0.265 470 L C -0.969 175.856 176.870 -0.076 0.000 0.954 470 L CA 0.003 54.818 54.840 -0.041 0.000 0.844 470 L CB 2.250 44.273 42.059 -0.060 0.000 1.302 470 L HN 0.247 nan 8.230 nan 0.000 0.405 471 T N 5.752 120.266 114.554 -0.066 0.000 2.823 471 T HA 0.659 5.010 4.350 0.001 0.000 0.279 471 T C -0.272 174.333 174.700 -0.158 0.000 0.998 471 T CA -0.176 61.848 62.100 -0.128 0.000 0.994 471 T CB 1.151 69.938 68.868 -0.136 0.000 0.960 471 T HN 0.444 nan 8.240 nan 0.000 0.448 472 I N 2.804 123.213 120.570 -0.268 0.000 2.355 472 I HA 0.391 4.561 4.170 0.001 0.000 0.288 472 I C 0.187 176.107 176.117 -0.328 0.000 0.999 472 I CA -0.825 60.304 61.300 -0.285 0.000 1.163 472 I CB 1.518 39.260 38.000 -0.430 0.000 1.316 472 I HN 0.357 nan 8.210 nan 0.000 0.454 473 K N 5.565 125.810 120.400 -0.258 0.000 2.211 473 K HA 0.209 4.529 4.320 0.001 0.000 0.275 473 K C -0.970 175.447 176.600 -0.305 0.000 1.024 473 K CA -0.464 55.553 56.287 -0.449 0.000 0.887 473 K CB 1.119 33.356 32.500 -0.438 0.000 1.084 473 K HN 0.473 nan 8.250 nan 0.000 0.463 474 D N 5.832 126.022 120.400 -0.350 0.000 2.349 474 D HA 0.222 4.863 4.640 0.001 0.000 0.232 474 D C -1.932 174.261 176.300 -0.179 0.000 1.071 474 D CA -2.446 51.488 54.000 -0.109 0.000 0.832 474 D CB 1.978 42.821 40.800 0.072 0.000 1.086 474 D HN 0.285 nan 8.370 nan 0.000 0.504 475 P HA -0.109 nan 4.420 nan 0.000 0.217 475 P C 0.750 178.010 177.300 -0.067 0.000 1.148 475 P CA 1.131 64.169 63.100 -0.103 0.000 0.828 475 P CB 0.307 31.982 31.700 -0.042 0.000 0.783 476 A N -1.859 120.949 122.820 -0.020 0.000 2.208 476 A HA 0.087 4.407 4.320 0.001 0.000 0.209 476 A C 1.786 179.371 177.584 0.002 0.000 1.161 476 A CA 1.055 53.096 52.037 0.007 0.000 0.782 476 A CB -0.487 18.538 19.000 0.043 0.000 0.816 476 A HN 0.091 nan 8.150 nan 0.000 0.477 477 V N -2.850 117.037 119.914 -0.045 0.000 3.177 477 V HA 0.527 4.648 4.120 0.001 0.000 0.219 477 V C 1.152 177.165 176.094 -0.136 0.000 1.344 477 V CA 0.651 62.918 62.300 -0.056 0.000 1.324 477 V CB -0.102 31.707 31.823 -0.022 0.000 1.165 477 V HN 0.950 nan 8.190 nan 0.000 0.510 478 G N 0.263 108.890 108.800 -0.287 0.000 2.247 478 G HA2 0.097 4.058 3.960 0.001 0.000 0.229 478 G HA3 0.097 4.058 3.960 0.001 0.000 0.229 478 G C -1.681 172.828 174.900 -0.652 0.000 1.345 478 G CA -0.606 44.255 45.100 -0.398 0.000 1.100 478 G HN 0.084 nan 8.290 nan 0.000 0.473 479 F N 0.626 120.450 119.950 -0.209 0.000 2.444 479 F HA 0.705 5.232 4.527 0.001 0.000 0.342 479 F C 0.451 176.070 175.800 -0.302 0.000 1.121 479 F CA -0.636 57.185 58.000 -0.298 0.000 0.997 479 F CB 2.062 40.861 39.000 -0.335 0.000 1.130 479 F HN 0.413 nan 8.300 nan 0.000 0.454 480 L N 4.485 125.541 121.223 -0.278 0.000 2.276 480 L HA 0.454 4.794 4.340 0.001 0.000 0.286 480 L C -0.597 176.082 176.870 -0.318 0.000 1.024 480 L CA -0.400 54.203 54.840 -0.396 0.000 0.826 480 L CB 0.459 42.023 42.059 -0.826 0.000 1.211 480 L HN 0.517 nan 8.230 nan 0.000 0.422 481 E N 3.700 123.809 120.200 -0.152 0.000 2.174 481 E HA 0.377 4.728 4.350 0.001 0.000 0.282 481 E C -0.547 176.014 176.600 -0.065 0.000 0.992 481 E CA -0.046 56.298 56.400 -0.094 0.000 0.803 481 E CB 2.107 31.797 29.700 -0.017 0.000 1.090 481 E HN 0.611 nan 8.360 nan 0.000 0.396 482 T N 1.942 116.452 114.554 -0.072 0.000 2.671 482 T HA 0.676 5.027 4.350 0.001 0.000 0.300 482 T C -1.433 173.287 174.700 0.034 0.000 1.238 482 T CA -0.496 61.609 62.100 0.007 0.000 1.020 482 T CB 0.914 69.773 68.868 -0.016 0.000 1.503 482 T HN 0.341 nan 8.240 nan 0.000 0.497 483 I N 1.680 122.309 120.570 0.098 0.000 2.569 483 I HA 0.417 4.588 4.170 0.001 0.000 0.290 483 I C -0.488 175.657 176.117 0.046 0.000 1.088 483 I CA -0.849 60.486 61.300 0.058 0.000 1.047 483 I CB 2.306 40.341 38.000 0.058 0.000 1.237 483 I HN 0.514 nan 8.210 nan 0.000 0.421 484 S N 7.430 123.095 115.700 -0.059 0.000 2.415 484 S HA 0.470 4.940 4.470 0.001 0.000 0.313 484 S C -2.430 172.081 174.600 -0.150 0.000 1.067 484 S CA -1.484 56.581 58.200 -0.224 0.000 1.099 484 S CB 0.251 63.353 63.200 -0.163 0.000 0.991 484 S HN 0.206 nan 8.310 nan 0.000 0.491 485 P HA 0.168 nan 4.420 nan 0.000 0.269 485 P C 0.382 177.639 177.300 -0.072 0.000 1.215 485 P CA -0.076 62.992 63.100 -0.053 0.000 0.780 485 P CB 0.274 31.981 31.700 0.011 0.000 0.898 486 G N 1.688 110.430 108.800 -0.096 0.000 2.321 486 G HA2 -0.037 3.924 3.960 0.001 0.000 0.237 486 G HA3 -0.037 3.924 3.960 0.001 0.000 0.237 486 G C -0.616 174.224 174.900 -0.101 0.000 1.282 486 G CA -0.104 44.874 45.100 -0.204 0.000 0.886 486 G HN 0.584 nan 8.290 nan 0.000 0.528 487 Y N -0.028 120.312 120.300 0.067 0.000 3.027 487 Y HA -0.237 4.314 4.550 0.001 0.000 0.195 487 Y C 1.227 177.196 175.900 0.116 0.000 1.381 487 Y CA 0.587 58.770 58.100 0.137 0.000 1.015 487 Y CB -1.804 36.599 38.460 -0.095 0.000 1.329 487 Y HN 0.978 nan 8.280 nan 0.000 0.462 488 S N 0.046 115.952 115.700 0.343 0.000 2.661 488 S HA 0.899 5.369 4.470 0.001 0.000 0.285 488 S C -0.884 173.892 174.600 0.293 0.000 1.138 488 S CA -0.850 57.550 58.200 0.333 0.000 0.855 488 S CB 3.241 66.514 63.200 0.120 0.000 1.136 488 S HN 0.499 nan 8.310 nan 0.000 0.484 489 I N 0.834 121.515 120.570 0.186 0.000 2.607 489 I HA 0.502 4.673 4.170 0.001 0.000 0.290 489 I C -1.542 174.524 176.117 -0.084 0.000 1.129 489 I CA -0.503 60.740 61.300 -0.096 0.000 1.042 489 I CB 1.723 39.461 38.000 -0.436 0.000 1.242 489 I HN 0.907 nan 8.210 nan 0.000 0.421 490 H N 4.549 123.473 119.070 -0.243 0.000 2.524 490 H HA 0.470 5.026 4.556 0.001 0.000 0.353 490 H C -0.984 174.215 175.328 -0.216 0.000 1.136 490 H CA -0.930 54.985 56.048 -0.222 0.000 1.193 490 H CB 2.279 31.910 29.762 -0.218 0.000 1.558 490 H HN 0.421 nan 8.280 nan 0.000 0.515 491 T N 3.312 117.832 114.554 -0.057 0.000 2.786 491 T HA 0.238 4.588 4.350 0.001 0.000 0.283 491 T C -0.873 173.650 174.700 -0.295 0.000 0.992 491 T CA -0.642 61.385 62.100 -0.122 0.000 0.954 491 T CB 0.274 69.068 68.868 -0.124 0.000 0.934 491 T HN 0.311 nan 8.240 nan 0.000 0.440 492 Y N 2.567 122.899 120.300 0.053 0.000 2.342 492 Y HA 0.661 5.211 4.550 0.001 0.000 0.334 492 Y C -0.156 175.828 175.900 0.140 0.000 1.067 492 Y CA -1.135 57.059 58.100 0.157 0.000 1.128 492 Y CB 1.070 39.677 38.460 0.245 0.000 1.200 492 Y HN 0.414 nan 8.280 nan 0.000 0.464 493 L N 3.461 124.906 121.223 0.369 0.000 2.408 493 L HA 0.575 4.916 4.340 0.001 0.000 0.268 493 L C -1.310 175.832 176.870 0.454 0.000 0.986 493 L CA -0.511 54.438 54.840 0.182 0.000 0.820 493 L CB 1.483 43.571 42.059 0.049 0.000 1.303 493 L HN 0.767 nan 8.230 nan 0.000 0.411 494 W N 0.434 121.802 121.300 0.112 0.000 3.213 494 W HA 0.613 5.274 4.660 0.001 0.000 0.318 494 W C -0.991 175.653 176.519 0.208 0.000 1.248 494 W CA -0.835 56.600 57.345 0.151 0.000 1.187 494 W CB 0.368 29.917 29.460 0.148 0.000 1.403 494 W HN 0.300 nan 8.180 nan 0.000 0.556 495 H N 1.746 120.961 119.070 0.241 0.000 2.790 495 H HA 0.342 4.898 4.556 0.001 0.000 0.358 495 H C 0.924 176.385 175.328 0.223 0.000 1.103 495 H CA -0.245 55.880 56.048 0.129 0.000 1.426 495 H CB 1.247 31.074 29.762 0.108 0.000 1.424 495 H HN 0.496 nan 8.280 nan 0.000 0.599 496 R N 0.781 121.398 120.500 0.195 0.000 2.373 496 R HA 0.192 4.532 4.340 0.001 0.000 0.221 496 R C 0.101 176.469 176.300 0.113 0.000 0.893 496 R CA 0.133 56.339 56.100 0.178 0.000 1.049 496 R CB 0.903 31.245 30.300 0.071 0.000 1.119 496 R HN 0.613 nan 8.270 nan 0.000 0.535 497 Q N 0.000 119.849 119.800 0.082 0.000 2.315 497 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 497 Q CA 0.000 55.833 55.803 0.049 0.000 1.022 497 Q CB 0.000 28.738 28.738 -0.000 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481