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 2wkl_1_A DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT XPALGTFSRY 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 HWYLDFLXPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITN LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWRRQ 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 0.000 177.554 177.584 -0.050 0.000 1.274 1 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 1 A CB 0.000 19.008 19.000 0.014 0.000 0.831 2 R N 1.145 121.586 120.500 -0.098 0.000 2.515 2 R HA 0.659 5.013 4.340 0.023 0.000 0.278 2 R C -3.093 173.178 176.300 -0.049 0.000 1.107 2 R CA -1.139 54.908 56.100 -0.088 0.000 0.945 2 R CB 2.937 33.058 30.300 -0.299 0.000 1.219 2 R HN 0.626 nan 8.270 nan 0.000 0.434 3 P HA 0.127 nan 4.420 nan 0.000 0.284 3 P C -0.310 177.059 177.300 0.115 0.000 1.258 3 P CA -0.557 62.574 63.100 0.051 0.000 0.824 3 P CB 1.088 32.816 31.700 0.048 0.000 1.038 4 c N 4.436 123.059 118.600 0.039 0.000 2.523 4 c HA 0.047 4.631 4.570 0.023 0.000 0.406 4 c C 0.742 174.857 174.090 0.042 0.000 1.449 4 c CA -0.311 56.045 56.329 0.045 0.000 1.588 4 c CB -1.989 40.500 42.510 -0.034 0.000 2.514 4 c HN 0.278 nan 8.230 nan 0.000 0.606 5 I N 10.014 130.615 120.570 0.051 0.000 2.308 5 I HA 0.281 4.465 4.170 0.023 0.000 0.293 5 I C -1.548 174.568 176.117 -0.001 0.000 1.078 5 I CA -2.255 59.020 61.300 -0.040 0.000 1.292 5 I CB 0.505 38.427 38.000 -0.131 0.000 1.423 5 I HN 0.579 nan 8.210 nan 0.000 0.493 6 P HA 0.416 nan 4.420 nan 0.000 0.286 6 P C -0.911 176.397 177.300 0.013 0.000 1.261 6 P CA -0.755 62.352 63.100 0.012 0.000 0.821 6 P CB 2.133 33.827 31.700 -0.011 0.000 1.013 7 K N 0.748 121.178 120.400 0.051 0.000 2.525 7 K HA 0.452 4.786 4.320 0.023 0.000 0.254 7 K C -1.133 175.481 176.600 0.023 0.000 0.934 7 K CA -0.544 55.742 56.287 -0.002 0.000 0.802 7 K CB 1.834 34.348 32.500 0.024 0.000 1.295 7 K HN 0.353 nan 8.250 nan 0.000 0.433 8 S N 2.846 118.485 115.700 -0.101 0.000 2.578 8 S HA 0.553 5.037 4.470 0.023 0.000 0.283 8 S C -0.575 173.904 174.600 -0.201 0.000 1.195 8 S CA -0.483 57.691 58.200 -0.042 0.000 1.050 8 S CB 0.370 63.531 63.200 -0.065 0.000 1.012 8 S HN 0.548 nan 8.310 nan 0.000 0.511 9 F N 2.018 121.941 119.950 -0.046 0.000 2.775 9 F HA 0.405 4.945 4.527 0.022 0.000 0.313 9 F C 1.507 177.194 175.800 -0.190 0.000 1.121 9 F CA 0.144 58.098 58.000 -0.076 0.000 1.206 9 F CB 0.857 39.845 39.000 -0.020 0.000 1.052 9 F HN 0.899 nan 8.300 nan 0.000 0.524 10 G N -0.780 107.970 108.800 -0.084 0.000 2.176 10 G HA2 -0.294 3.679 3.960 0.023 0.000 0.232 10 G HA3 -0.294 3.679 3.960 0.023 0.000 0.232 10 G C 0.074 174.754 174.900 -0.367 0.000 0.986 10 G CA -0.257 44.686 45.100 -0.262 0.000 0.643 10 G HN 0.337 nan 8.290 nan 0.000 0.522 11 Y N 0.670 121.010 120.300 0.068 0.000 2.564 11 Y HA 0.489 5.052 4.550 0.022 0.000 0.347 11 Y C 2.181 178.107 175.900 0.044 0.000 1.284 11 Y CA 0.113 58.246 58.100 0.056 0.000 1.449 11 Y CB 0.523 39.019 38.460 0.061 0.000 1.606 11 Y HN 0.179 nan 8.280 nan 0.000 0.594 12 S N -1.491 114.355 115.700 0.245 0.000 2.522 12 S HA 0.108 4.592 4.470 0.023 0.000 0.227 12 S C 0.525 175.170 174.600 0.076 0.000 0.986 12 S CA 0.529 58.795 58.200 0.109 0.000 0.929 12 S CB -0.035 63.208 63.200 0.073 0.000 0.769 12 S HN 0.430 nan 8.310 nan 0.000 0.529 13 S N -0.348 115.443 115.700 0.153 0.000 2.776 13 S HA 0.685 5.169 4.470 0.023 0.000 0.292 13 S C -0.834 173.859 174.600 0.155 0.000 1.187 13 S CA -0.251 58.019 58.200 0.118 0.000 0.834 13 S CB 1.112 64.431 63.200 0.199 0.000 1.199 13 S HN 0.694 nan 8.310 nan 0.000 0.514 14 V N 0.505 120.498 119.914 0.131 0.000 3.093 14 V HA 0.974 5.108 4.120 0.023 0.000 0.320 14 V C 0.094 176.294 176.094 0.177 0.000 1.093 14 V CA -0.368 62.016 62.300 0.139 0.000 1.016 14 V CB 1.017 32.884 31.823 0.073 0.000 1.096 14 V HN 0.979 nan 8.190 nan 0.000 0.452 15 V N -1.467 118.562 119.914 0.191 0.000 2.975 15 V HA 0.690 4.824 4.120 0.023 0.000 0.318 15 V C -0.038 176.170 176.094 0.189 0.000 1.077 15 V CA -0.617 61.804 62.300 0.202 0.000 1.000 15 V CB 1.306 33.229 31.823 0.165 0.000 1.066 15 V HN 1.087 nan 8.190 nan 0.000 0.452 16 c N 2.375 121.092 118.600 0.196 0.000 2.255 16 c HA 0.627 5.211 4.570 0.023 0.000 0.326 16 c C 0.338 174.487 174.090 0.097 0.000 1.258 16 c CA -0.654 55.754 56.329 0.131 0.000 1.676 16 c CB -0.034 42.558 42.510 0.137 0.000 2.314 16 c HN 0.730 nan 8.230 nan 0.000 0.509 17 V N 3.476 123.446 119.914 0.093 0.000 2.488 17 V HA 0.253 4.387 4.120 0.023 0.000 0.277 17 V C 0.377 176.360 176.094 -0.184 0.000 1.046 17 V CA 0.025 62.335 62.300 0.016 0.000 0.986 17 V CB 0.244 32.123 31.823 0.094 0.000 0.989 17 V HN 1.043 nan 8.190 nan 0.000 0.475 18 c N 5.497 123.776 118.600 -0.535 0.000 2.614 18 c HA 0.826 5.410 4.570 0.023 0.000 0.320 18 c C 0.298 174.011 174.090 -0.629 0.000 1.200 18 c CA -0.673 55.251 56.329 -0.675 0.000 1.700 18 c CB 1.441 43.152 42.510 -1.331 0.000 2.275 18 c HN 1.097 nan 8.230 nan 0.000 0.492 19 N N 0.262 118.786 118.700 -0.293 0.000 3.574 19 N HA 0.513 5.267 4.740 0.023 0.000 0.340 19 N C 0.365 175.876 175.510 0.002 0.000 1.650 19 N CA -0.071 52.902 53.050 -0.129 0.000 0.762 19 N CB 0.098 38.537 38.487 -0.081 0.000 2.206 19 N HN 0.478 nan 8.380 nan 0.000 0.621 20 A N -1.094 121.744 122.820 0.031 0.000 2.019 20 A HA -0.018 4.316 4.320 0.023 0.000 0.219 20 A C 1.512 179.124 177.584 0.047 0.000 1.164 20 A CA 2.502 54.570 52.037 0.051 0.000 0.644 20 A CB -1.300 17.724 19.000 0.039 0.000 0.805 20 A HN 0.891 nan 8.150 nan 0.000 0.449 21 T N -6.188 108.396 114.554 0.051 0.000 3.040 21 T HA 0.396 4.759 4.350 0.023 0.000 0.266 21 T C -0.124 174.641 174.700 0.108 0.000 1.005 21 T CA -0.132 62.005 62.100 0.063 0.000 0.906 21 T CB -0.149 68.755 68.868 0.059 0.000 1.082 21 T HN 0.318 nan 8.240 nan 0.000 0.531 22 Y N -0.099 120.170 120.300 -0.052 0.000 2.513 22 Y HA 0.575 5.138 4.550 0.022 0.000 0.340 22 Y C -1.666 174.166 175.900 -0.114 0.000 1.055 22 Y CA -1.414 56.645 58.100 -0.069 0.000 1.020 22 Y CB 2.045 40.461 38.460 -0.074 0.000 1.301 22 Y HN 0.288 nan 8.280 nan 0.000 0.453 23 c N 6.286 124.502 118.600 -0.641 0.000 3.199 23 c HA 0.297 4.881 4.570 0.023 0.000 0.392 23 c C -1.542 172.256 174.090 -0.487 0.000 1.050 23 c CA -0.916 55.196 56.329 -0.363 0.000 1.222 23 c CB 0.403 42.806 42.510 -0.178 0.000 1.595 23 c HN 0.933 nan 8.230 nan 0.000 0.560 24 D N 3.395 123.661 120.400 -0.222 0.000 2.449 24 D HA 0.392 5.045 4.640 0.023 0.000 0.236 24 D C -0.060 176.104 176.300 -0.227 0.000 1.149 24 D CA 0.459 54.346 54.000 -0.188 0.000 0.878 24 D CB 1.009 41.782 40.800 -0.045 0.000 1.198 24 D HN 0.893 nan 8.370 nan 0.000 0.446 25 S N -0.266 115.266 115.700 -0.280 0.000 2.596 25 S HA 0.632 5.115 4.470 0.023 0.000 0.270 25 S C -1.049 173.334 174.600 -0.362 0.000 1.155 25 S CA -1.075 56.977 58.200 -0.248 0.000 0.827 25 S CB 0.779 63.898 63.200 -0.135 0.000 1.130 25 S HN 0.331 nan 8.310 nan 0.000 0.467 26 F N 1.238 121.213 119.950 0.042 0.000 2.403 26 F HA 0.525 5.064 4.527 0.020 0.000 0.326 26 F C 0.869 176.700 175.800 0.053 0.000 1.081 26 F CA -0.457 57.583 58.000 0.067 0.000 1.041 26 F CB 0.745 39.788 39.000 0.071 0.000 1.234 26 F HN 0.528 nan 8.300 nan 0.000 0.503 27 D N 1.259 121.826 120.400 0.278 0.000 2.383 27 D HA 0.262 4.915 4.640 0.023 0.000 0.248 27 D C -2.289 174.129 176.300 0.197 0.000 1.170 27 D CA -1.188 52.922 54.000 0.183 0.000 0.977 27 D CB 0.230 41.114 40.800 0.141 0.000 1.120 27 D HN 0.112 nan 8.370 nan 0.000 0.481 28 P HA 0.247 nan 4.420 nan 0.000 0.275 28 P C -2.465 174.899 177.300 0.107 0.000 1.228 28 P CA -0.986 62.175 63.100 0.102 0.000 0.786 28 P CB -0.410 31.334 31.700 0.074 0.000 0.927 29 P HA 0.104 nan 4.420 nan 0.000 0.266 29 P C 0.005 177.360 177.300 0.092 0.000 1.195 29 P CA 0.223 63.390 63.100 0.112 0.000 0.768 29 P CB 0.325 32.080 31.700 0.092 0.000 0.838 33 A N 2.367 125.199 122.820 0.019 0.000 2.371 33 A HA 0.467 4.801 4.320 0.023 0.000 0.257 33 A C 0.476 178.088 177.584 0.046 0.000 1.089 33 A CA -0.717 51.336 52.037 0.026 0.000 0.794 33 A CB 0.237 19.244 19.000 0.012 0.000 1.029 33 A HN 0.767 nan 8.150 nan 0.000 0.488 34 L N 1.486 122.740 121.223 0.052 0.000 2.593 34 L HA 0.166 4.520 4.340 0.023 0.000 0.287 34 L C 1.434 178.338 176.870 0.057 0.000 1.243 34 L CA 2.014 56.895 54.840 0.068 0.000 0.890 34 L CB 0.112 42.203 42.059 0.054 0.000 1.134 34 L HN 1.394 nan 8.230 nan 0.000 0.502 35 G N 2.053 110.895 108.800 0.069 0.000 2.217 35 G HA2 -0.277 3.697 3.960 0.023 0.000 0.246 35 G HA3 -0.277 3.697 3.960 0.023 0.000 0.246 35 G C 0.256 175.182 174.900 0.044 0.000 0.990 35 G CA 0.387 45.514 45.100 0.045 0.000 0.627 35 G HN 0.947 nan 8.290 nan 0.000 0.522 36 T N -1.045 113.542 114.554 0.055 0.000 2.942 36 T HA 0.821 5.184 4.350 0.023 0.000 0.289 36 T C -0.381 174.401 174.700 0.136 0.000 1.044 36 T CA -0.257 61.851 62.100 0.015 0.000 1.023 36 T CB 2.382 71.211 68.868 -0.066 0.000 1.123 36 T HN 1.554 nan 8.240 nan 0.000 0.512 37 F N -0.591 119.400 119.950 0.068 0.000 2.563 37 F HA 0.842 5.376 4.527 0.012 0.000 0.316 37 F C -0.669 175.189 175.800 0.095 0.000 1.076 37 F CA -1.154 56.937 58.000 0.151 0.000 0.921 37 F CB 1.503 40.597 39.000 0.156 0.000 1.209 37 F HN 0.568 nan 8.300 nan 0.000 0.462 38 S N 2.659 118.555 115.700 0.327 0.000 2.525 38 S HA 0.614 5.098 4.470 0.023 0.000 0.290 38 S C -0.828 173.880 174.600 0.180 0.000 1.152 38 S CA -0.828 57.421 58.200 0.082 0.000 1.072 38 S CB 1.166 64.362 63.200 -0.006 0.000 1.027 38 S HN 0.777 nan 8.310 nan 0.000 0.500 39 R N 2.388 122.823 120.500 -0.107 0.000 2.502 39 R HA 0.339 4.693 4.340 0.023 0.000 0.300 39 R C -2.010 173.980 176.300 -0.516 0.000 0.984 39 R CA -0.440 55.485 56.100 -0.291 0.000 0.882 39 R CB 0.740 30.944 30.300 -0.160 0.000 1.180 39 R HN 0.634 nan 8.270 nan 0.000 0.444 40 Y N 2.082 122.163 120.300 -0.364 0.000 2.328 40 Y HA 0.266 4.831 4.550 0.026 0.000 0.337 40 Y C 0.170 176.015 175.900 -0.090 0.000 1.008 40 Y CA -0.332 57.644 58.100 -0.207 0.000 1.129 40 Y CB 1.649 39.954 38.460 -0.257 0.000 1.185 40 Y HN 0.533 nan 8.280 nan 0.000 0.476 41 E N 2.010 122.286 120.200 0.125 0.000 2.210 41 E HA 0.591 4.955 4.350 0.023 0.000 0.266 41 E C -1.377 175.437 176.600 0.357 0.000 0.883 41 E CA -0.567 55.961 56.400 0.213 0.000 0.761 41 E CB 1.039 30.737 29.700 -0.004 0.000 1.156 41 E HN 0.578 nan 8.360 nan 0.000 0.412 42 S N 2.387 118.331 115.700 0.407 0.000 2.502 42 S HA 0.522 5.006 4.470 0.023 0.000 0.304 42 S C -0.773 173.998 174.600 0.286 0.000 1.097 42 S CA -0.822 57.588 58.200 0.349 0.000 1.045 42 S CB 1.703 65.190 63.200 0.478 0.000 1.019 42 S HN 0.635 nan 8.310 nan 0.000 0.481 43 T N -0.911 113.668 114.554 0.041 0.000 2.893 43 T HA 0.479 4.842 4.350 0.023 0.000 0.291 43 T C 0.808 174.926 174.700 -0.970 0.000 1.028 43 T CA -1.014 60.906 62.100 -0.299 0.000 0.995 43 T CB 1.632 70.408 68.868 -0.153 0.000 1.051 43 T HN 0.518 nan 8.240 nan 0.000 0.470 44 R N 1.353 120.866 120.500 -1.646 0.000 2.139 44 R HA -0.138 4.216 4.340 0.023 0.000 0.243 44 R C 2.012 177.938 176.300 -0.622 0.000 1.145 44 R CA 2.192 57.334 56.100 -1.596 0.000 0.976 44 R CB -0.584 28.884 30.300 -1.386 0.000 0.866 44 R HN 0.786 nan 8.270 nan 0.000 0.449 45 S N -2.002 113.457 115.700 -0.402 0.000 2.607 45 S HA 0.164 4.648 4.470 0.023 0.000 0.224 45 S C 1.179 175.687 174.600 -0.153 0.000 0.969 45 S CA 0.374 58.450 58.200 -0.208 0.000 0.927 45 S CB 0.802 63.924 63.200 -0.131 0.000 0.772 45 S HN 0.613 nan 8.310 nan 0.000 0.533 46 G N 0.834 109.530 108.800 -0.174 0.000 2.485 46 G HA2 -0.124 3.850 3.960 0.023 0.000 0.181 46 G HA3 -0.124 3.850 3.960 0.023 0.000 0.181 46 G C 0.014 174.866 174.900 -0.080 0.000 0.999 46 G CA -0.806 44.233 45.100 -0.102 0.000 0.721 46 G HN 0.467 nan 8.290 nan 0.000 0.486 47 R N 0.775 121.234 120.500 -0.069 0.000 2.491 47 R HA 0.525 4.878 4.340 0.023 0.000 0.283 47 R C -0.329 175.970 176.300 -0.002 0.000 1.072 47 R CA -0.085 56.004 56.100 -0.019 0.000 1.048 47 R CB 0.464 30.775 30.300 0.018 0.000 0.983 47 R HN -0.027 nan 8.270 nan 0.000 0.450 48 R N 3.973 124.460 120.500 -0.022 0.000 2.358 48 R HA 0.182 4.536 4.340 0.023 0.000 0.309 48 R C 0.105 176.471 176.300 0.110 0.000 1.026 48 R CA -0.568 55.480 56.100 -0.086 0.000 0.909 48 R CB 1.046 31.130 30.300 -0.360 0.000 1.153 48 R HN 0.788 nan 8.270 nan 0.000 0.515 49 M N 0.741 120.520 119.600 0.299 0.000 2.136 49 M HA -0.271 4.223 4.480 0.023 0.000 0.194 49 M C -0.345 176.200 176.300 0.409 0.000 0.337 49 M CA 1.225 56.772 55.300 0.411 0.000 0.385 49 M CB -1.270 31.656 32.600 0.545 0.000 1.066 49 M HN 0.427 nan 8.290 nan 0.000 0.943 50 E N 0.895 121.223 120.200 0.215 0.000 2.376 50 E HA 0.229 4.593 4.350 0.023 0.000 0.266 50 E C -0.259 176.334 176.600 -0.012 0.000 1.009 50 E CA -0.378 56.084 56.400 0.104 0.000 0.902 50 E CB 0.770 30.491 29.700 0.035 0.000 0.972 50 E HN 0.259 nan 8.360 nan 0.000 0.439 51 L N 3.519 124.689 121.223 -0.088 0.000 2.276 51 L HA 0.277 4.630 4.340 0.023 0.000 0.286 51 L C -0.537 176.183 176.870 -0.250 0.000 1.061 51 L CA 0.315 54.935 54.840 -0.367 0.000 0.807 51 L CB 0.839 42.737 42.059 -0.267 0.000 1.177 51 L HN 0.535 nan 8.230 nan 0.000 0.429 52 S N 4.698 120.218 115.700 -0.299 0.000 2.607 52 S HA 0.860 5.344 4.470 0.023 0.000 0.273 52 S C -0.790 173.665 174.600 -0.242 0.000 1.148 52 S CA -1.008 57.069 58.200 -0.206 0.000 0.833 52 S CB 1.497 64.615 63.200 -0.137 0.000 1.130 52 S HN 0.594 nan 8.310 nan 0.000 0.470 53 M N 0.837 120.276 119.600 -0.268 0.000 2.572 53 M HA 0.758 5.251 4.480 0.023 0.000 0.299 53 M C -0.010 175.939 176.300 -0.585 0.000 1.205 53 M CA -0.408 54.625 55.300 -0.445 0.000 0.876 53 M CB 2.770 35.184 32.600 -0.310 0.000 1.728 53 M HN 1.083 nan 8.290 nan 0.000 0.458 54 G N 1.077 109.175 108.800 -1.170 0.000 2.708 54 G HA2 0.868 4.841 3.960 0.023 0.000 0.289 54 G HA3 0.868 4.841 3.960 0.023 0.000 0.289 54 G C -3.359 171.121 174.900 -0.701 0.000 1.416 54 G CA -1.115 43.459 45.100 -0.877 0.000 0.829 54 G HN 0.375 nan 8.290 nan 0.000 0.480 55 P HA 0.510 nan 4.420 nan 0.000 0.287 55 P C -0.611 176.792 177.300 0.171 0.000 1.270 55 P CA -0.591 62.498 63.100 -0.019 0.000 0.844 55 P CB 2.164 33.864 31.700 -0.001 0.000 1.068 56 I N 2.679 123.325 120.570 0.127 0.000 2.312 56 I HA 0.144 4.328 4.170 0.023 0.000 0.291 56 I C 0.989 177.140 176.117 0.057 0.000 1.031 56 I CA -0.573 60.775 61.300 0.080 0.000 1.293 56 I CB 0.614 38.598 38.000 -0.027 0.000 1.403 56 I HN 0.158 nan 8.210 nan 0.000 0.484 57 Q N 4.439 124.286 119.800 0.079 0.000 2.352 57 Q HA 0.205 4.559 4.340 0.023 0.000 0.260 57 Q C 0.799 176.893 176.000 0.156 0.000 0.976 57 Q CA -0.109 55.752 55.803 0.096 0.000 0.881 57 Q CB 1.463 30.255 28.738 0.089 0.000 1.235 57 Q HN 0.823 nan 8.270 nan 0.000 0.419 58 A N 2.908 125.801 122.820 0.122 0.000 2.123 58 A HA -0.009 4.325 4.320 0.023 0.000 0.214 58 A C 0.527 178.243 177.584 0.219 0.000 1.152 58 A CA 0.294 52.422 52.037 0.152 0.000 0.728 58 A CB 0.232 19.282 19.000 0.084 0.000 0.814 58 A HN 0.615 nan 8.150 nan 0.000 0.464 59 N N -1.700 117.066 118.700 0.110 0.000 2.321 59 N HA 0.565 5.319 4.740 0.023 0.000 0.290 59 N C -1.402 173.904 175.510 -0.339 0.000 1.212 59 N CA -0.608 52.410 53.050 -0.053 0.000 0.767 59 N CB 1.574 40.031 38.487 -0.050 0.000 1.494 59 N HN 0.478 nan 8.380 nan 0.000 0.479 60 H N -0.663 117.966 119.070 -0.736 0.000 3.083 60 H HA 0.446 5.014 4.556 0.019 0.000 0.339 60 H C -1.401 173.655 175.328 -0.454 0.000 1.020 60 H CA -0.130 55.439 56.048 -0.798 0.000 1.360 60 H CB 1.019 29.819 29.762 -1.604 0.000 1.811 60 H HN 0.634 nan 8.280 nan 0.000 0.493 61 T N 3.425 117.547 114.554 -0.719 0.000 2.859 61 T HA 0.731 5.094 4.350 0.023 0.000 0.281 61 T C 0.194 174.469 174.700 -0.707 0.000 1.005 61 T CA 0.034 61.797 62.100 -0.562 0.000 1.025 61 T CB 1.374 70.063 68.868 -0.298 0.000 0.977 61 T HN 1.087 nan 8.240 nan 0.000 0.458 62 G N 1.009 109.532 108.800 -0.462 0.000 2.381 62 G HA2 0.209 4.183 3.960 0.023 0.000 0.672 62 G HA3 0.209 4.183 3.960 0.023 0.000 0.672 62 G C 0.029 174.828 174.900 -0.169 0.000 1.324 62 G CA -0.147 44.785 45.100 -0.281 0.000 0.975 62 G HN 1.131 nan 8.290 nan 0.000 0.593 63 T N -1.890 112.624 114.554 -0.066 0.000 3.339 63 T HA 0.629 4.993 4.350 0.023 0.000 0.292 63 T C 1.080 175.792 174.700 0.020 0.000 1.012 63 T CA 1.079 63.172 62.100 -0.012 0.000 0.937 63 T CB 0.344 69.201 68.868 -0.019 0.000 1.164 63 T HN 1.856 nan 8.240 nan 0.000 0.509 64 G N 1.404 110.229 108.800 0.042 0.000 2.580 64 G HA2 0.526 4.500 3.960 0.023 0.000 0.278 64 G HA3 0.526 4.500 3.960 0.023 0.000 0.278 64 G C -0.203 174.731 174.900 0.058 0.000 1.212 64 G CA -0.943 44.184 45.100 0.045 0.000 0.939 64 G HN 0.489 nan 8.290 nan 0.000 0.513 65 L N -0.476 120.766 121.223 0.031 0.000 2.615 65 L HA 0.284 4.638 4.340 0.023 0.000 0.284 65 L C -0.225 176.652 176.870 0.013 0.000 1.237 65 L CA 0.259 55.110 54.840 0.018 0.000 0.905 65 L CB 0.405 42.465 42.059 0.001 0.000 1.149 65 L HN 0.363 nan 8.230 nan 0.000 0.499 66 L N 6.167 127.401 121.223 0.018 0.000 2.409 66 L HA 0.568 4.922 4.340 0.023 0.000 0.272 66 L C -1.467 175.400 176.870 -0.005 0.000 0.980 66 L CA -0.259 54.583 54.840 0.003 0.000 0.826 66 L CB 1.525 43.624 42.059 0.067 0.000 1.268 66 L HN 0.522 nan 8.230 nan 0.000 0.407 67 L N 4.862 126.064 121.223 -0.036 0.000 2.298 67 L HA 0.529 4.883 4.340 0.023 0.000 0.284 67 L C -0.272 176.579 176.870 -0.031 0.000 1.013 67 L CA -0.438 54.386 54.840 -0.025 0.000 0.824 67 L CB 1.667 43.707 42.059 -0.031 0.000 1.221 67 L HN 0.580 nan 8.230 nan 0.000 0.418 68 T N 3.994 118.542 114.554 -0.009 0.000 2.767 68 T HA 0.374 4.738 4.350 0.023 0.000 0.288 68 T C -0.152 174.553 174.700 0.009 0.000 0.963 68 T CA -0.383 61.706 62.100 -0.019 0.000 1.019 68 T CB 1.519 70.384 68.868 -0.005 0.000 0.923 68 T HN 0.249 nan 8.240 nan 0.000 0.468 69 L N 3.597 124.828 121.223 0.014 0.000 2.380 69 L HA 0.281 4.635 4.340 0.023 0.000 0.273 69 L C 0.368 177.271 176.870 0.055 0.000 1.138 69 L CA 0.245 55.127 54.840 0.069 0.000 0.832 69 L CB 0.736 42.881 42.059 0.143 0.000 1.124 69 L HN 0.614 nan 8.230 nan 0.000 0.454 70 Q N 5.839 125.683 119.800 0.073 0.000 2.788 70 Q HA 0.279 4.633 4.340 0.023 0.000 0.285 70 Q C -1.760 174.276 176.000 0.061 0.000 1.063 70 Q CA -1.550 54.292 55.803 0.065 0.000 0.958 70 Q CB 0.909 29.697 28.738 0.083 0.000 1.211 70 Q HN 0.495 nan 8.270 nan 0.000 0.478 71 P HA -0.253 nan 4.420 nan 0.000 0.218 71 P C 0.789 178.102 177.300 0.022 0.000 1.146 71 P CA 1.305 64.430 63.100 0.043 0.000 0.820 71 P CB 0.330 32.054 31.700 0.040 0.000 0.778 72 E N -0.725 119.481 120.200 0.010 0.000 2.474 72 E HA -0.026 4.338 4.350 0.023 0.000 0.195 72 E C 0.263 176.828 176.600 -0.058 0.000 1.039 72 E CA 0.312 56.703 56.400 -0.016 0.000 0.881 72 E CB -0.333 29.362 29.700 -0.008 0.000 0.970 72 E HN 0.308 nan 8.360 nan 0.000 0.486 73 Q N 1.863 121.626 119.800 -0.062 0.000 2.406 73 Q HA 0.217 4.571 4.340 0.023 0.000 0.242 73 Q C -0.644 175.134 176.000 -0.371 0.000 1.036 73 Q CA -0.210 55.471 55.803 -0.203 0.000 0.904 73 Q CB 1.167 29.863 28.738 -0.070 0.000 1.244 73 Q HN -0.027 nan 8.270 nan 0.000 0.478 74 K N 3.331 123.459 120.400 -0.452 0.000 2.211 74 K HA 0.405 4.739 4.320 0.023 0.000 0.275 74 K C -0.404 175.889 176.600 -0.511 0.000 1.024 74 K CA -0.057 56.042 56.287 -0.314 0.000 0.887 74 K CB 0.790 33.206 32.500 -0.140 0.000 1.084 74 K HN 0.311 nan 8.250 nan 0.000 0.463 75 F N 0.437 120.420 119.950 0.055 0.000 2.977 75 F HA 0.173 4.714 4.527 0.023 0.000 0.317 75 F C 1.224 177.077 175.800 0.088 0.000 1.425 75 F CA -0.749 57.298 58.000 0.079 0.000 1.038 75 F CB -0.075 38.951 39.000 0.044 0.000 1.797 75 F HN 0.340 nan 8.300 nan 0.000 0.442 76 Q N 2.242 122.244 119.800 0.336 0.000 2.474 76 Q HA 0.149 4.503 4.340 0.023 0.000 0.256 76 Q C -1.185 174.911 176.000 0.160 0.000 1.048 76 Q CA 0.079 56.013 55.803 0.218 0.000 0.922 76 Q CB 0.622 29.478 28.738 0.196 0.000 1.288 76 Q HN 0.488 nan 8.270 nan 0.000 0.484 77 K N 0.929 121.407 120.400 0.130 0.000 2.098 77 K HA 0.439 4.773 4.320 0.023 0.000 0.261 77 K C -0.629 176.023 176.600 0.086 0.000 0.987 77 K CA -0.833 55.513 56.287 0.098 0.000 0.916 77 K CB 1.590 34.140 32.500 0.084 0.000 1.039 77 K HN 0.424 nan 8.250 nan 0.000 0.455 78 V N 3.169 123.118 119.914 0.058 0.000 2.407 78 V HA 0.036 4.170 4.120 0.023 0.000 0.278 78 V C 1.137 177.224 176.094 -0.011 0.000 1.037 78 V CA -0.211 62.106 62.300 0.028 0.000 0.900 78 V CB 1.286 33.136 31.823 0.046 0.000 0.983 78 V HN 0.736 nan 8.190 nan 0.000 0.459 79 K N 3.863 124.246 120.400 -0.028 0.000 2.021 79 K HA 0.327 4.661 4.320 0.023 0.000 0.205 79 K C 0.738 177.234 176.600 -0.174 0.000 1.047 79 K CA 1.580 57.805 56.287 -0.104 0.000 0.943 79 K CB -0.190 32.267 32.500 -0.071 0.000 0.725 79 K HN 0.976 nan 8.250 nan 0.000 0.439 80 G N -2.301 106.354 108.800 -0.243 0.000 2.351 80 G HA2 0.295 4.269 3.960 0.023 0.000 0.279 80 G HA3 0.295 4.269 3.960 0.023 0.000 0.279 80 G C -1.543 172.966 174.900 -0.651 0.000 1.297 80 G CA -0.841 44.090 45.100 -0.281 0.000 0.886 80 G HN 0.025 nan 8.290 nan 0.000 0.493 81 F N -0.211 119.691 119.950 -0.080 0.000 2.591 81 F HA 0.790 5.332 4.527 0.025 0.000 0.309 81 F C 0.719 176.202 175.800 -0.528 0.000 1.098 81 F CA 0.578 58.458 58.000 -0.199 0.000 0.937 81 F CB 2.508 41.420 39.000 -0.145 0.000 1.250 81 F HN 1.256 nan 8.300 nan 0.000 0.447 82 G N 0.320 108.765 108.800 -0.591 0.000 2.393 82 G HA2 0.574 4.548 3.960 0.023 0.000 0.264 82 G HA3 0.574 4.548 3.960 0.023 0.000 0.264 82 G C -1.324 173.248 174.900 -0.547 0.000 1.221 82 G CA 0.003 44.448 45.100 -1.091 0.000 0.912 82 G HN 1.068 nan 8.290 nan 0.000 0.483 83 G N -1.582 107.121 108.800 -0.162 0.000 2.721 83 G HA2 0.789 4.763 3.960 0.023 0.000 0.296 83 G HA3 0.789 4.763 3.960 0.023 0.000 0.296 83 G C -1.053 173.918 174.900 0.119 0.000 1.383 83 G CA 0.471 45.588 45.100 0.029 0.000 0.788 83 G HN 1.751 nan 8.290 nan 0.000 0.500 84 A N -0.220 122.685 122.820 0.141 0.000 2.276 84 A HA 0.618 4.952 4.320 0.023 0.000 0.316 84 A C -0.067 177.551 177.584 0.057 0.000 1.229 84 A CA -0.578 51.568 52.037 0.181 0.000 0.851 84 A CB 1.139 20.347 19.000 0.346 0.000 1.165 84 A HN 0.696 nan 8.150 nan 0.000 0.513 85 M N 4.107 123.772 119.600 0.108 0.000 3.422 85 M HA 0.180 4.674 4.480 0.023 0.000 0.248 85 M C 0.730 177.049 176.300 0.031 0.000 1.433 85 M CA -0.050 55.292 55.300 0.069 0.000 1.592 85 M CB -0.951 31.716 32.600 0.113 0.000 1.078 85 M HN 0.759 nan 8.290 nan 0.000 0.578 86 T N -1.264 113.231 114.554 -0.098 0.000 2.766 86 T HA 0.208 4.572 4.350 0.023 0.000 0.295 86 T C 0.877 175.551 174.700 -0.042 0.000 1.024 86 T CA -0.664 61.354 62.100 -0.136 0.000 1.018 86 T CB 0.681 69.320 68.868 -0.380 0.000 1.002 86 T HN 0.487 nan 8.240 nan 0.000 0.532 87 D N 1.071 121.468 120.400 -0.004 0.000 2.116 87 D HA -0.122 4.532 4.640 0.023 0.000 0.193 87 D C 2.356 178.677 176.300 0.034 0.000 0.998 87 D CA 1.860 55.887 54.000 0.044 0.000 0.836 87 D CB -0.859 39.988 40.800 0.079 0.000 0.951 87 D HN 0.751 nan 8.370 nan 0.000 0.449 88 A N 0.978 123.823 122.820 0.041 0.000 1.902 88 A HA -0.049 4.285 4.320 0.023 0.000 0.217 88 A C 2.333 179.930 177.584 0.020 0.000 1.181 88 A CA 2.367 54.448 52.037 0.072 0.000 0.623 88 A CB -0.754 18.372 19.000 0.211 0.000 0.818 88 A HN 0.248 nan 8.150 nan 0.000 0.443 89 A N -0.168 122.626 122.820 -0.044 0.000 1.902 89 A HA 0.160 4.493 4.320 0.023 0.000 0.217 89 A C 2.514 180.096 177.584 -0.003 0.000 1.181 89 A CA 2.150 54.163 52.037 -0.041 0.000 0.623 89 A CB -1.024 17.927 19.000 -0.082 0.000 0.818 89 A HN 1.050 nan 8.150 nan 0.000 0.443 90 A N -0.436 122.388 122.820 0.007 0.000 1.898 90 A HA -0.027 4.307 4.320 0.023 0.000 0.216 90 A C 2.199 179.793 177.584 0.016 0.000 1.181 90 A CA 1.382 53.430 52.037 0.018 0.000 0.620 90 A CB -0.638 18.380 19.000 0.031 0.000 0.819 90 A HN 0.511 nan 8.150 nan 0.000 0.442 91 L N -0.066 121.170 121.223 0.021 0.000 1.990 91 L HA -0.274 4.080 4.340 0.023 0.000 0.213 91 L C 2.323 179.203 176.870 0.017 0.000 1.072 91 L CA 1.991 56.845 54.840 0.022 0.000 0.755 91 L CB -0.511 41.568 42.059 0.033 0.000 0.889 91 L HN 0.468 nan 8.230 nan 0.000 0.432 92 N N 0.035 118.745 118.700 0.017 0.000 2.120 92 N HA -0.183 4.571 4.740 0.023 0.000 0.188 92 N C 1.830 177.337 175.510 -0.006 0.000 1.024 92 N CA 1.636 54.692 53.050 0.011 0.000 0.852 92 N CB -0.277 38.219 38.487 0.015 0.000 1.003 92 N HN 0.387 nan 8.380 nan 0.000 0.424 93 I N 1.300 121.860 120.570 -0.016 0.000 2.163 93 I HA -0.229 3.955 4.170 0.023 0.000 0.243 93 I C 1.979 178.082 176.117 -0.024 0.000 1.085 93 I CA 1.012 62.288 61.300 -0.040 0.000 1.347 93 I CB -0.168 37.814 38.000 -0.030 0.000 1.044 93 I HN 0.041 nan 8.210 nan 0.000 0.408 94 L N 0.211 121.430 121.223 -0.006 0.000 2.552 94 L HA -0.010 4.344 4.340 0.023 0.000 0.227 94 L C 2.393 179.266 176.870 0.004 0.000 1.146 94 L CA 0.330 55.171 54.840 0.000 0.000 0.858 94 L CB -0.402 41.660 42.059 0.005 0.000 0.969 94 L HN 0.212 nan 8.230 nan 0.000 0.451 95 A N -0.355 122.468 122.820 0.006 0.000 2.169 95 A HA 0.161 4.495 4.320 0.023 0.000 0.212 95 A C 1.112 178.705 177.584 0.014 0.000 1.153 95 A CA 0.151 52.195 52.037 0.011 0.000 0.756 95 A CB -0.129 18.880 19.000 0.015 0.000 0.813 95 A HN 0.243 nan 8.150 nan 0.000 0.471 96 L N 0.388 121.618 121.223 0.012 0.000 2.468 96 L HA 0.269 4.623 4.340 0.023 0.000 0.254 96 L C 1.101 177.985 176.870 0.023 0.000 1.171 96 L CA -0.463 54.392 54.840 0.024 0.000 0.809 96 L CB 0.843 42.922 42.059 0.034 0.000 1.155 96 L HN 0.331 nan 8.230 nan 0.000 0.473 97 S N -0.260 115.459 115.700 0.032 0.000 2.585 97 S HA 0.188 4.672 4.470 0.023 0.000 0.273 97 S C -1.972 172.646 174.600 0.029 0.000 1.339 97 S CA -1.062 57.154 58.200 0.027 0.000 1.028 97 S CB 1.011 64.228 63.200 0.028 0.000 0.906 97 S HN 0.373 nan 8.310 nan 0.000 0.528 98 P HA -0.040 nan 4.420 nan 0.000 0.216 98 P C -1.544 175.773 177.300 0.028 0.000 1.153 98 P CA 1.406 64.518 63.100 0.020 0.000 0.858 98 P CB -1.234 30.475 31.700 0.015 0.000 0.789 99 P HA -0.103 nan 4.420 nan 0.000 0.217 99 P C 1.433 178.771 177.300 0.063 0.000 1.150 99 P CA 1.784 64.908 63.100 0.040 0.000 0.832 99 P CB -0.614 31.107 31.700 0.036 0.000 0.787 100 A N -0.187 122.682 122.820 0.082 0.000 1.898 100 A HA -0.236 4.097 4.320 0.023 0.000 0.216 100 A C 2.259 179.908 177.584 0.108 0.000 1.181 100 A CA 1.453 53.585 52.037 0.159 0.000 0.620 100 A CB -1.347 17.760 19.000 0.178 0.000 0.819 100 A HN 0.158 nan 8.150 nan 0.000 0.442 101 Q N -0.022 119.796 119.800 0.031 0.000 2.077 101 Q HA -0.212 4.142 4.340 0.023 0.000 0.206 101 Q C 1.838 177.829 176.000 -0.015 0.000 0.989 101 Q CA 1.664 57.451 55.803 -0.026 0.000 0.853 101 Q CB -0.299 28.433 28.738 -0.009 0.000 0.907 101 Q HN 0.643 nan 8.270 nan 0.000 0.418 102 N N 0.427 119.141 118.700 0.023 0.000 2.166 102 N HA -0.110 4.644 4.740 0.023 0.000 0.186 102 N C 1.898 177.438 175.510 0.049 0.000 1.019 102 N CA 0.962 54.033 53.050 0.034 0.000 0.856 102 N CB -0.161 38.347 38.487 0.035 0.000 0.993 102 N HN 0.228 nan 8.380 nan 0.000 0.426 103 L N 0.922 122.193 121.223 0.080 0.000 2.017 103 L HA -0.135 4.218 4.340 0.023 0.000 0.208 103 L C 2.500 179.433 176.870 0.104 0.000 1.073 103 L CA 0.793 55.709 54.840 0.128 0.000 0.745 103 L CB -0.589 41.597 42.059 0.212 0.000 0.894 103 L HN 0.122 nan 8.230 nan 0.000 0.432 104 L N -0.198 120.967 121.223 -0.096 0.000 1.990 104 L HA -0.289 4.065 4.340 0.023 0.000 0.213 104 L C 2.539 179.335 176.870 -0.124 0.000 1.072 104 L CA 1.638 56.167 54.840 -0.519 0.000 0.755 104 L CB -0.178 41.289 42.059 -0.986 0.000 0.889 104 L HN 0.197 nan 8.230 nan 0.000 0.432 105 L N -0.641 120.595 121.223 0.022 0.000 2.131 105 L HA -0.253 4.100 4.340 0.023 0.000 0.210 105 L C 2.580 179.612 176.870 0.270 0.000 1.092 105 L CA 1.334 56.315 54.840 0.235 0.000 0.759 105 L CB -0.474 41.683 42.059 0.164 0.000 0.903 105 L HN 0.232 nan 8.230 nan 0.000 0.435 106 K N -0.346 120.138 120.400 0.140 0.000 2.097 106 K HA -0.102 4.232 4.320 0.023 0.000 0.205 106 K C 2.256 178.918 176.600 0.104 0.000 1.050 106 K CA 1.414 57.778 56.287 0.129 0.000 0.938 106 K CB -0.034 32.517 32.500 0.085 0.000 0.718 106 K HN 0.143 nan 8.250 nan 0.000 0.442 107 S N -0.241 115.485 115.700 0.043 0.000 2.419 107 S HA -0.125 4.359 4.470 0.023 0.000 0.233 107 S C 1.557 176.142 174.600 -0.026 0.000 1.016 107 S CA 1.094 59.300 58.200 0.010 0.000 0.974 107 S CB -0.181 62.922 63.200 -0.162 0.000 0.786 107 S HN 0.340 nan 8.310 nan 0.000 0.492 108 Y N -1.113 119.103 120.300 -0.140 0.000 2.301 108 Y HA 0.200 4.764 4.550 0.023 0.000 0.295 108 Y C 1.392 176.904 175.900 -0.645 0.000 1.126 108 Y CA 0.500 58.200 58.100 -0.667 0.000 1.154 108 Y CB 0.181 38.035 38.460 -1.010 0.000 1.075 108 Y HN 0.190 nan 8.280 nan 0.000 0.534 109 F N -1.260 118.767 119.950 0.128 0.000 2.704 109 F HA 0.153 4.695 4.527 0.024 0.000 0.304 109 F C 0.981 176.826 175.800 0.075 0.000 1.094 109 F CA -0.279 57.791 58.000 0.116 0.000 1.275 109 F CB 0.565 39.634 39.000 0.114 0.000 1.073 109 F HN -0.208 nan 8.300 nan 0.000 0.586 110 S N -0.427 115.385 115.700 0.186 0.000 2.681 110 S HA 0.250 4.734 4.470 0.023 0.000 0.299 110 S C 1.063 175.705 174.600 0.071 0.000 1.113 110 S CA -0.620 57.658 58.200 0.130 0.000 1.013 110 S CB 1.339 64.612 63.200 0.121 0.000 1.076 110 S HN 0.018 nan 8.310 nan 0.000 0.534 111 E N 1.472 121.706 120.200 0.056 0.000 2.409 111 E HA -0.031 4.332 4.350 0.023 0.000 0.198 111 E C 1.241 177.876 176.600 0.058 0.000 1.024 111 E CA 0.828 57.236 56.400 0.015 0.000 0.861 111 E CB -0.170 29.542 29.700 0.020 0.000 0.788 111 E HN 0.782 nan 8.360 nan 0.000 0.521 112 E N -0.029 120.240 120.200 0.114 0.000 2.435 112 E HA 0.067 4.431 4.350 0.023 0.000 0.195 112 E C 1.229 178.023 176.600 0.324 0.000 1.029 112 E CA 0.513 57.032 56.400 0.199 0.000 0.865 112 E CB 0.369 30.143 29.700 0.124 0.000 0.833 112 E HN 0.136 nan 8.360 nan 0.000 0.510 113 G N 1.281 110.211 108.800 0.216 0.000 3.194 113 G HA2 0.329 4.303 3.960 0.023 0.000 0.160 113 G HA3 0.329 4.303 3.960 0.023 0.000 0.160 113 G C 0.567 175.502 174.900 0.059 0.000 1.267 113 G CA -0.496 44.748 45.100 0.239 0.000 0.962 113 G HN 0.175 nan 8.290 nan 0.000 0.612 114 I N -2.053 118.454 120.570 -0.105 0.000 3.889 114 I HA 0.503 4.686 4.170 0.023 0.000 0.332 114 I C 1.227 177.197 176.117 -0.245 0.000 1.493 114 I CA 0.151 61.257 61.300 -0.323 0.000 1.158 114 I CB 0.393 38.084 38.000 -0.517 0.000 1.117 114 I HN 0.696 nan 8.210 nan 0.000 0.411 115 G N 1.161 109.881 108.800 -0.134 0.000 2.341 115 G HA2 -0.334 3.640 3.960 0.023 0.000 0.292 115 G HA3 -0.334 3.640 3.960 0.023 0.000 0.292 115 G C 0.131 175.107 174.900 0.127 0.000 1.021 115 G CA 0.073 45.160 45.100 -0.022 0.000 0.905 115 G HN 0.669 nan 8.290 nan 0.000 0.508 116 Y N -0.018 120.223 120.300 -0.098 0.000 2.890 116 Y HA 0.017 4.581 4.550 0.022 0.000 0.341 116 Y C 1.647 177.612 175.900 0.108 0.000 1.269 116 Y CA 0.646 58.707 58.100 -0.065 0.000 1.517 116 Y CB 0.501 38.721 38.460 -0.399 0.000 1.314 116 Y HN 0.508 nan 8.280 nan 0.000 0.622 117 N N 1.733 120.563 118.700 0.217 0.000 2.193 117 N HA 0.183 4.937 4.740 0.023 0.000 0.236 117 N C -1.097 174.462 175.510 0.082 0.000 1.347 117 N CA 0.075 53.220 53.050 0.159 0.000 0.812 117 N CB -0.038 38.497 38.487 0.081 0.000 1.297 117 N HN 0.467 nan 8.380 nan 0.000 0.499 118 I N 1.032 121.656 120.570 0.089 0.000 2.647 118 I HA 0.507 4.690 4.170 0.023 0.000 0.295 118 I C -0.850 175.368 176.117 0.169 0.000 1.078 118 I CA -0.897 60.454 61.300 0.086 0.000 1.048 118 I CB 2.512 40.548 38.000 0.061 0.000 1.239 118 I HN -0.146 nan 8.210 nan 0.000 0.421 119 I N 4.860 125.544 120.570 0.191 0.000 2.478 119 I HA 0.400 4.584 4.170 0.023 0.000 0.287 119 I C -0.317 175.947 176.117 0.245 0.000 1.042 119 I CA -0.586 60.844 61.300 0.217 0.000 1.067 119 I CB 2.074 40.185 38.000 0.186 0.000 1.233 119 I HN 0.531 nan 8.210 nan 0.000 0.431 120 R N 5.465 126.123 120.500 0.264 0.000 2.308 120 R HA 0.640 4.993 4.340 0.023 0.000 0.305 120 R C -1.438 175.055 176.300 0.321 0.000 1.053 120 R CA -0.294 55.996 56.100 0.317 0.000 0.957 120 R CB 1.202 31.697 30.300 0.325 0.000 1.022 120 R HN 0.456 nan 8.270 nan 0.000 0.461 121 V N 7.314 127.445 119.914 0.362 0.000 2.444 121 V HA 0.367 4.501 4.120 0.023 0.000 0.294 121 V C -2.251 174.002 176.094 0.265 0.000 1.022 121 V CA -2.198 60.302 62.300 0.334 0.000 0.850 121 V CB 1.733 33.830 31.823 0.456 0.000 0.992 121 V HN 0.847 nan 8.190 nan 0.000 0.426 122 P HA 0.327 nan 4.420 nan 0.000 0.275 122 P C -0.522 176.801 177.300 0.037 0.000 1.227 122 P CA -0.296 62.901 63.100 0.162 0.000 0.781 122 P CB 0.468 32.116 31.700 -0.085 0.000 0.906 123 M N 2.893 122.424 119.600 -0.115 0.000 2.201 123 M HA 0.491 4.985 4.480 0.023 0.000 0.345 123 M C 0.572 176.737 176.300 -0.226 0.000 1.352 123 M CA 0.221 55.373 55.300 -0.247 0.000 1.218 123 M CB -0.454 31.754 32.600 -0.653 0.000 1.512 123 M HN 0.586 nan 8.290 nan 0.000 0.447 124 A N 1.764 124.389 122.820 -0.324 0.000 6.197 124 A HA -0.126 4.208 4.320 0.023 0.000 0.231 124 A C 0.204 177.453 177.584 -0.558 0.000 2.326 124 A CA 0.074 51.742 52.037 -0.615 0.000 0.698 124 A CB -1.684 16.813 19.000 -0.839 0.000 0.901 124 A HN 0.922 nan 8.150 nan 0.000 0.349 125 S N -0.264 114.845 115.700 -0.985 0.000 2.584 125 S HA 0.608 5.092 4.470 0.023 0.000 0.273 125 S C 0.613 174.921 174.600 -0.487 0.000 1.311 125 S CA 0.113 57.821 58.200 -0.820 0.000 1.034 125 S CB 0.533 63.072 63.200 -1.101 0.000 0.939 125 S HN 2.444 nan 8.310 nan 0.000 0.513 126 C N 0.794 119.804 119.300 -0.482 0.000 3.459 126 C HA 0.647 5.121 4.460 0.023 0.000 0.358 126 C C 1.495 176.425 174.990 -0.101 0.000 2.992 126 C CA 0.035 58.697 59.018 -0.595 0.000 1.568 126 C CB 0.312 27.015 27.740 -1.729 0.000 3.388 126 C HN 0.863 nan 8.230 nan 0.000 0.515 127 D N 0.566 120.902 120.400 -0.108 0.000 2.224 127 D HA -0.076 4.578 4.640 0.023 0.000 0.205 127 D C 0.551 176.687 176.300 -0.274 0.000 0.965 127 D CA 0.977 54.819 54.000 -0.263 0.000 0.852 127 D CB -0.473 39.612 40.800 -1.192 0.000 0.947 127 D HN 0.532 nan 8.370 nan 0.000 0.494 128 F N 1.455 121.324 119.950 -0.136 0.000 2.733 128 F HA 0.335 4.876 4.527 0.023 0.000 0.344 128 F C 0.331 176.072 175.800 -0.098 0.000 1.179 128 F CA -0.076 57.842 58.000 -0.137 0.000 1.316 128 F CB -0.014 38.807 39.000 -0.297 0.000 1.577 128 F HN -0.253 nan 8.300 nan 0.000 0.591 129 S N 0.697 116.427 115.700 0.051 0.000 2.588 129 S HA 0.503 4.987 4.470 0.023 0.000 0.275 129 S C 0.628 175.275 174.600 0.079 0.000 1.130 129 S CA -0.733 57.494 58.200 0.044 0.000 0.855 129 S CB 1.856 65.020 63.200 -0.061 0.000 1.116 129 S HN 0.397 nan 8.310 nan 0.000 0.472 130 I N -0.173 120.432 120.570 0.059 0.000 3.904 130 I HA 0.451 4.635 4.170 0.023 0.000 0.333 130 I C 0.154 176.259 176.117 -0.019 0.000 1.361 130 I CA -0.213 61.124 61.300 0.062 0.000 1.116 130 I CB -0.262 37.775 38.000 0.061 0.000 1.028 130 I HN 0.546 nan 8.210 nan 0.000 0.398 131 R N 0.803 121.228 120.500 -0.125 0.000 2.687 131 R HA 0.317 4.670 4.340 0.023 0.000 0.265 131 R C -1.042 175.052 176.300 -0.343 0.000 1.048 131 R CA -0.339 55.619 56.100 -0.237 0.000 0.884 131 R CB 0.653 30.915 30.300 -0.063 0.000 1.258 131 R HN 0.129 nan 8.270 nan 0.000 0.469 132 T N 0.040 114.262 114.554 -0.553 0.000 2.910 132 T HA 0.586 4.950 4.350 0.023 0.000 0.293 132 T C -0.349 174.253 174.700 -0.163 0.000 1.015 132 T CA -0.199 61.584 62.100 -0.530 0.000 1.094 132 T CB 0.400 68.911 68.868 -0.595 0.000 0.968 132 T HN 0.677 nan 8.240 nan 0.000 0.521 133 Y N -1.358 118.809 120.300 -0.221 0.000 2.598 133 Y HA 0.566 5.130 4.550 0.023 0.000 0.333 133 Y C -0.546 175.257 175.900 -0.162 0.000 1.196 133 Y CA -1.053 56.956 58.100 -0.152 0.000 1.145 133 Y CB 0.346 38.730 38.460 -0.127 0.000 1.349 133 Y HN 1.005 nan 8.280 nan 0.000 0.469 134 T N -1.912 112.652 114.554 0.017 0.000 2.905 134 T HA 0.435 4.799 4.350 0.023 0.000 0.283 134 T C -0.150 174.615 174.700 0.108 0.000 1.031 134 T CA -0.647 61.427 62.100 -0.042 0.000 1.002 134 T CB 1.073 69.964 68.868 0.039 0.000 1.200 134 T HN 0.769 nan 8.240 nan 0.000 0.560 135 Y N -0.148 120.256 120.300 0.173 0.000 2.529 135 Y HA 0.435 4.998 4.550 0.023 0.000 0.290 135 Y C 1.600 177.382 175.900 -0.197 0.000 1.177 135 Y CA -0.224 57.726 58.100 -0.250 0.000 1.305 135 Y CB 0.293 38.175 38.460 -0.963 0.000 1.047 135 Y HN 0.769 nan 8.280 nan 0.000 0.522 136 A N -0.307 122.711 122.820 0.330 0.000 3.370 136 A HA 0.254 4.588 4.320 0.023 0.000 0.295 136 A C -0.250 177.633 177.584 0.497 0.000 1.030 136 A CA -0.465 51.840 52.037 0.447 0.000 0.883 136 A CB -0.180 19.252 19.000 0.721 0.000 1.191 136 A HN 0.116 nan 8.150 nan 0.000 0.507 137 D N 0.548 121.141 120.400 0.322 0.000 2.349 137 D HA 0.021 4.675 4.640 0.023 0.000 0.215 137 D C 0.354 176.796 176.300 0.236 0.000 1.016 137 D CA 0.880 55.057 54.000 0.295 0.000 0.870 137 D CB 0.375 41.279 40.800 0.173 0.000 0.917 137 D HN 0.415 nan 8.370 nan 0.000 0.524 138 T N 3.055 117.707 114.554 0.164 0.000 2.834 138 T HA 0.189 4.552 4.350 0.023 0.000 0.298 138 T C -2.397 172.122 174.700 -0.303 0.000 0.966 138 T CA -1.097 60.995 62.100 -0.013 0.000 1.141 138 T CB 1.381 70.241 68.868 -0.014 0.000 0.905 138 T HN -0.065 nan 8.240 nan 0.000 0.535 139 P HA 0.197 nan 4.420 nan 0.000 0.271 139 P C 0.104 176.736 177.300 -1.113 0.000 1.216 139 P CA 0.004 62.627 63.100 -0.795 0.000 0.771 139 P CB 0.329 31.866 31.700 -0.271 0.000 0.864 140 D N -0.341 118.960 120.400 -1.831 0.000 3.059 140 D HA -0.194 4.460 4.640 0.023 0.000 0.220 140 D C 0.075 175.600 176.300 -1.291 0.000 1.169 140 D CA 0.986 54.181 54.000 -1.342 0.000 0.902 140 D CB -1.724 38.850 40.800 -0.376 0.000 1.116 140 D HN 0.465 nan 8.370 nan 0.000 0.417 141 D N -0.412 119.079 120.400 -1.515 0.000 2.745 141 D HA 0.044 4.698 4.640 0.023 0.000 0.229 141 D C 1.172 177.322 176.300 -0.249 0.000 1.088 141 D CA -0.196 53.461 54.000 -0.571 0.000 1.054 141 D CB -0.937 39.726 40.800 -0.228 0.000 1.132 141 D HN 0.172 nan 8.370 nan 0.000 0.464 142 F N 0.191 120.146 119.950 0.009 0.000 2.225 142 F HA -0.205 4.336 4.527 0.023 0.000 0.302 142 F C 2.397 178.342 175.800 0.241 0.000 1.068 142 F CA 1.005 59.148 58.000 0.238 0.000 1.327 142 F CB -0.056 39.017 39.000 0.123 0.000 1.043 142 F HN 0.290 nan 8.300 nan 0.000 0.506 143 Q N -0.033 119.955 119.800 0.314 0.000 2.425 143 Q HA 0.102 4.456 4.340 0.023 0.000 0.204 143 Q C 0.918 177.082 176.000 0.273 0.000 0.933 143 Q CA 0.231 56.191 55.803 0.261 0.000 0.939 143 Q CB 0.138 28.992 28.738 0.194 0.000 1.044 143 Q HN 0.503 nan 8.270 nan 0.000 0.513 144 L N 0.928 122.346 121.223 0.325 0.000 3.660 144 L HA -0.304 4.050 4.340 0.023 0.000 0.440 144 L C 1.309 178.362 176.870 0.306 0.000 1.262 144 L CA 0.205 55.263 54.840 0.363 0.000 0.837 144 L CB -1.896 40.382 42.059 0.366 0.000 1.689 144 L HN 0.433 nan 8.230 nan 0.000 0.890 145 H N 1.194 120.364 119.070 0.167 0.000 2.357 145 H HA -0.047 4.523 4.556 0.023 0.000 0.301 145 H C 1.106 176.523 175.328 0.148 0.000 1.082 145 H CA 2.036 58.160 56.048 0.128 0.000 1.342 145 H CB 0.419 30.231 29.762 0.083 0.000 1.389 145 H HN 0.603 nan 8.280 nan 0.000 0.511 146 N N 0.270 119.088 118.700 0.198 0.000 2.455 146 N HA 0.049 4.803 4.740 0.023 0.000 0.258 146 N C -0.946 174.681 175.510 0.195 0.000 1.158 146 N CA -0.222 52.909 53.050 0.134 0.000 0.893 146 N CB -0.384 38.175 38.487 0.120 0.000 1.173 146 N HN 0.173 nan 8.380 nan 0.000 0.503 147 F N 2.168 122.170 119.950 0.086 0.000 2.506 147 F HA 0.301 4.842 4.527 0.023 0.000 0.371 147 F C 0.491 176.309 175.800 0.029 0.000 1.078 147 F CA -0.358 57.695 58.000 0.088 0.000 1.195 147 F CB 0.374 39.400 39.000 0.045 0.000 1.099 147 F HN 0.049 nan 8.300 nan 0.000 0.548 148 S N 6.191 121.752 115.700 -0.232 0.000 2.550 148 S HA 0.571 5.055 4.470 0.023 0.000 0.270 148 S C -1.213 173.233 174.600 -0.257 0.000 1.145 148 S CA -1.180 56.933 58.200 -0.144 0.000 0.852 148 S CB 1.172 64.361 63.200 -0.018 0.000 1.119 148 S HN 0.687 nan 8.310 nan 0.000 0.465 149 L N 2.931 124.042 121.223 -0.187 0.000 2.410 149 L HA 0.406 4.760 4.340 0.023 0.000 0.273 149 L C -1.667 175.189 176.870 -0.023 0.000 1.144 149 L CA -1.457 53.306 54.840 -0.127 0.000 0.863 149 L CB 0.106 42.073 42.059 -0.152 0.000 1.140 149 L HN 0.592 nan 8.230 nan 0.000 0.463 150 P HA 0.132 nan 4.420 nan 0.000 0.279 150 P C 0.133 177.381 177.300 -0.086 0.000 1.282 150 P CA -0.486 62.559 63.100 -0.093 0.000 0.788 150 P CB 0.828 32.346 31.700 -0.303 0.000 1.139 151 E N -0.241 119.889 120.200 -0.117 0.000 2.153 151 E HA -0.203 4.161 4.350 0.023 0.000 0.194 151 E C 1.643 178.206 176.600 -0.061 0.000 0.988 151 E CA 1.228 57.582 56.400 -0.078 0.000 0.811 151 E CB -0.154 29.502 29.700 -0.075 0.000 0.746 151 E HN 0.475 nan 8.360 nan 0.000 0.466 152 E N 0.934 121.080 120.200 -0.091 0.000 2.147 152 E HA -0.218 4.146 4.350 0.023 0.000 0.199 152 E C 1.352 177.990 176.600 0.063 0.000 1.005 152 E CA 1.861 58.257 56.400 -0.006 0.000 0.810 152 E CB -0.057 29.658 29.700 0.025 0.000 0.736 152 E HN 0.330 nan 8.360 nan 0.000 0.460 153 D N -1.620 118.825 120.400 0.075 0.000 2.201 153 D HA -0.065 4.589 4.640 0.023 0.000 0.209 153 D C 1.927 178.162 176.300 -0.110 0.000 0.961 153 D CA 1.642 55.676 54.000 0.056 0.000 0.861 153 D CB -0.206 40.669 40.800 0.125 0.000 0.997 153 D HN 0.262 nan 8.370 nan 0.000 0.486 154 T N -2.009 112.476 114.554 -0.115 0.000 2.985 154 T HA 0.016 4.380 4.350 0.023 0.000 0.266 154 T C 1.735 176.410 174.700 -0.042 0.000 1.076 154 T CA 0.515 62.542 62.100 -0.122 0.000 1.135 154 T CB 0.135 68.982 68.868 -0.034 0.000 0.890 154 T HN -0.129 nan 8.240 nan 0.000 0.480 155 K N -0.387 119.996 120.400 -0.028 0.000 2.402 155 K HA 0.551 4.884 4.320 0.023 0.000 0.203 155 K C 1.559 178.157 176.600 -0.002 0.000 1.077 155 K CA -0.040 56.242 56.287 -0.009 0.000 1.051 155 K CB 0.126 32.620 32.500 -0.011 0.000 0.907 155 K HN 0.487 nan 8.250 nan 0.000 0.554 156 L N -0.855 120.368 121.223 0.000 0.000 2.862 156 L HA 0.311 4.665 4.340 0.023 0.000 0.169 156 L C 1.974 178.856 176.870 0.021 0.000 1.164 156 L CA 0.217 55.065 54.840 0.013 0.000 0.858 156 L CB -0.137 41.935 42.059 0.021 0.000 1.329 156 L HN -0.046 nan 8.230 nan 0.000 0.514 157 K N 0.843 121.267 120.400 0.040 0.000 2.001 157 K HA -0.055 4.279 4.320 0.023 0.000 0.208 157 K C 1.997 178.605 176.600 0.014 0.000 1.048 157 K CA 1.500 57.825 56.287 0.064 0.000 0.932 157 K CB -0.114 32.480 32.500 0.156 0.000 0.715 157 K HN 0.133 nan 8.250 nan 0.000 0.437 158 I N 0.918 121.459 120.570 -0.049 0.000 2.142 158 I HA -0.189 3.995 4.170 0.023 0.000 0.240 158 I C -1.038 175.037 176.117 -0.070 0.000 1.078 158 I CA 1.058 62.260 61.300 -0.164 0.000 1.343 158 I CB -0.874 36.918 38.000 -0.346 0.000 1.046 158 I HN 0.090 nan 8.210 nan 0.000 0.405 159 P HA -0.168 nan 4.420 nan 0.000 0.215 159 P C 1.964 179.295 177.300 0.053 0.000 1.153 159 P CA 1.476 64.649 63.100 0.121 0.000 0.853 159 P CB -0.003 31.736 31.700 0.064 0.000 0.788 160 L N -1.398 119.826 121.223 0.002 0.000 2.046 160 L HA -0.176 4.178 4.340 0.023 0.000 0.208 160 L C 2.424 179.240 176.870 -0.089 0.000 1.077 160 L CA 1.428 56.253 54.840 -0.025 0.000 0.747 160 L CB -0.766 41.288 42.059 -0.008 0.000 0.896 160 L HN -0.066 nan 8.230 nan 0.000 0.432 161 I N -1.140 119.358 120.570 -0.121 0.000 2.163 161 I HA -0.353 3.831 4.170 0.023 0.000 0.243 161 I C 2.643 178.624 176.117 -0.226 0.000 1.085 161 I CA 1.198 62.371 61.300 -0.213 0.000 1.347 161 I CB -0.582 37.293 38.000 -0.209 0.000 1.044 161 I HN 0.297 nan 8.210 nan 0.000 0.408 162 H N 1.036 120.049 119.070 -0.095 0.000 2.289 162 H HA -0.167 4.403 4.556 0.023 0.000 0.296 162 H C 2.546 177.814 175.328 -0.100 0.000 1.091 162 H CA 1.734 57.732 56.048 -0.084 0.000 1.274 162 H CB -0.380 29.349 29.762 -0.055 0.000 1.364 162 H HN 0.320 nan 8.280 nan 0.000 0.490 163 R N 0.403 120.921 120.500 0.031 0.000 2.091 163 R HA -0.087 4.267 4.340 0.023 0.000 0.238 163 R C 2.637 178.877 176.300 -0.099 0.000 1.136 163 R CA 1.113 57.202 56.100 -0.019 0.000 0.959 163 R CB -0.283 30.011 30.300 -0.010 0.000 0.856 163 R HN 0.256 nan 8.270 nan 0.000 0.437 164 A N 1.480 124.149 122.820 -0.251 0.000 1.865 164 A HA -0.158 4.176 4.320 0.023 0.000 0.217 164 A C 2.186 179.582 177.584 -0.313 0.000 1.191 164 A CA 1.281 52.998 52.037 -0.533 0.000 0.623 164 A CB -0.682 17.517 19.000 -1.334 0.000 0.826 164 A HN 0.164 nan 8.150 nan 0.000 0.444 165 L N -1.088 119.999 121.223 -0.227 0.000 1.990 165 L HA -0.308 4.045 4.340 0.023 0.000 0.213 165 L C 3.387 180.240 176.870 -0.029 0.000 1.072 165 L CA 2.178 56.960 54.840 -0.096 0.000 0.755 165 L CB -1.538 40.483 42.059 -0.064 0.000 0.889 165 L HN 0.672 nan 8.230 nan 0.000 0.432 166 Q N 0.508 120.299 119.800 -0.015 0.000 2.133 166 Q HA -0.218 4.136 4.340 0.023 0.000 0.208 166 Q C 2.113 178.124 176.000 0.018 0.000 0.991 166 Q CA 2.231 58.038 55.803 0.007 0.000 0.867 166 Q CB -1.050 27.694 28.738 0.009 0.000 0.911 166 Q HN 0.622 nan 8.270 nan 0.000 0.417 167 L N -0.356 120.879 121.223 0.019 0.000 2.418 167 L HA 0.302 4.656 4.340 0.023 0.000 0.218 167 L C 1.428 178.354 176.870 0.093 0.000 1.125 167 L CA 0.124 55.000 54.840 0.061 0.000 0.835 167 L CB -0.053 42.059 42.059 0.089 0.000 0.953 167 L HN 0.498 nan 8.230 nan 0.000 0.454 168 A N -0.525 122.348 122.820 0.090 0.000 2.327 168 A HA 0.262 4.595 4.320 0.023 0.000 0.283 168 A C 0.737 178.370 177.584 0.082 0.000 1.127 168 A CA -0.316 51.797 52.037 0.126 0.000 0.810 168 A CB 0.883 19.974 19.000 0.152 0.000 1.066 168 A HN 0.254 nan 8.150 nan 0.000 0.492 169 Q N 0.488 120.335 119.800 0.079 0.000 2.324 169 Q HA 0.040 4.394 4.340 0.023 0.000 0.207 169 Q C 0.198 176.229 176.000 0.052 0.000 0.928 169 Q CA 0.371 56.208 55.803 0.057 0.000 0.890 169 Q CB 0.110 28.878 28.738 0.050 0.000 1.001 169 Q HN 0.763 nan 8.270 nan 0.000 0.517 170 R N 2.344 122.880 120.500 0.060 0.000 2.623 170 R HA 0.064 4.417 4.340 0.023 0.000 0.271 170 R C -2.296 174.032 176.300 0.047 0.000 1.043 170 R CA -1.180 54.950 56.100 0.050 0.000 1.083 170 R CB -0.178 30.157 30.300 0.057 0.000 0.974 170 R HN 0.056 nan 8.270 nan 0.000 0.436 171 P HA -0.021 nan 4.420 nan 0.000 0.264 171 P C -0.672 176.634 177.300 0.011 0.000 1.193 171 P CA 0.105 63.213 63.100 0.013 0.000 0.763 171 P CB 0.608 32.306 31.700 -0.003 0.000 0.810 172 V N 3.081 123.004 119.914 0.015 0.000 2.472 172 V HA 0.275 4.409 4.120 0.023 0.000 0.290 172 V C 0.546 176.629 176.094 -0.018 0.000 1.037 172 V CA -0.300 62.013 62.300 0.023 0.000 0.908 172 V CB 1.486 33.338 31.823 0.048 0.000 0.985 172 V HN 0.471 nan 8.190 nan 0.000 0.454 173 S N 5.359 121.037 115.700 -0.036 0.000 2.462 173 S HA 0.647 5.130 4.470 0.023 0.000 0.294 173 S C -0.387 174.259 174.600 0.077 0.000 1.144 173 S CA -0.565 57.626 58.200 -0.015 0.000 1.088 173 S CB 0.915 63.981 63.200 -0.224 0.000 1.009 173 S HN 0.496 nan 8.310 nan 0.000 0.484 174 L N 3.488 124.740 121.223 0.049 0.000 2.312 174 L HA 0.566 4.920 4.340 0.023 0.000 0.281 174 L C -0.650 176.470 176.870 0.417 0.000 1.070 174 L CA -0.837 53.986 54.840 -0.028 0.000 0.805 174 L CB 0.901 42.471 42.059 -0.815 0.000 1.174 174 L HN 0.424 nan 8.230 nan 0.000 0.434 175 L N 3.352 124.896 121.223 0.535 0.000 2.385 175 L HA 0.822 5.175 4.340 0.023 0.000 0.273 175 L C -0.574 176.566 176.870 0.450 0.000 0.990 175 L CA -0.185 54.952 54.840 0.494 0.000 0.821 175 L CB 1.679 43.960 42.059 0.371 0.000 1.279 175 L HN 0.663 nan 8.230 nan 0.000 0.412 176 A N 3.110 126.018 122.820 0.146 0.000 2.350 176 A HA 0.922 5.256 4.320 0.023 0.000 0.324 176 A C -0.895 176.614 177.584 -0.125 0.000 1.118 176 A CA -0.446 51.524 52.037 -0.112 0.000 0.783 176 A CB 1.290 19.882 19.000 -0.680 0.000 1.236 176 A HN 0.697 nan 8.150 nan 0.000 0.457 177 S N 3.017 118.690 115.700 -0.045 0.000 2.575 177 S HA 0.721 5.205 4.470 0.023 0.000 0.278 177 S C -3.064 171.580 174.600 0.073 0.000 1.139 177 S CA -0.940 57.245 58.200 -0.024 0.000 0.954 177 S CB 2.276 65.473 63.200 -0.004 0.000 1.054 177 S HN 0.658 nan 8.310 nan 0.000 0.483 178 P HA 0.273 nan 4.420 nan 0.000 0.286 178 P C -0.011 177.443 177.300 0.257 0.000 1.261 178 P CA -0.656 62.511 63.100 0.112 0.000 0.821 178 P CB 1.245 32.950 31.700 0.009 0.000 1.013 179 W N 0.657 121.951 121.300 -0.011 0.000 2.678 179 W HA 0.053 4.727 4.660 0.023 0.000 0.282 179 W C 0.690 177.191 176.519 -0.031 0.000 1.137 179 W CA 0.562 57.923 57.345 0.026 0.000 1.515 179 W CB 0.420 29.937 29.460 0.095 0.000 1.101 179 W HN 0.241 nan 8.180 nan 0.000 0.564 180 T N 0.259 114.903 114.554 0.150 0.000 2.900 180 T HA 0.314 4.678 4.350 0.023 0.000 0.295 180 T C -0.048 174.467 174.700 -0.309 0.000 1.044 180 T CA -0.407 61.629 62.100 -0.106 0.000 0.995 180 T CB 1.506 70.316 68.868 -0.097 0.000 1.072 180 T HN -0.044 nan 8.240 nan 0.000 0.473 181 S N 4.224 119.449 115.700 -0.792 0.000 2.655 181 S HA 0.613 5.097 4.470 0.023 0.000 0.265 181 S C -2.621 171.558 174.600 -0.702 0.000 1.240 181 S CA -1.083 56.359 58.200 -1.263 0.000 0.986 181 S CB 0.151 62.111 63.200 -2.066 0.000 0.985 181 S HN 0.507 nan 8.310 nan 0.000 0.562 182 P HA 0.058 nan 4.420 nan 0.000 0.267 182 P C 1.104 178.010 177.300 -0.655 0.000 1.201 182 P CA 0.206 62.975 63.100 -0.551 0.000 0.775 182 P CB 0.240 31.482 31.700 -0.764 0.000 0.854 183 T N -1.959 112.384 114.554 -0.351 0.000 3.023 183 T HA -0.082 4.282 4.350 0.023 0.000 0.266 183 T C 1.196 175.801 174.700 -0.159 0.000 1.093 183 T CA 0.428 62.396 62.100 -0.221 0.000 1.129 183 T CB -0.631 68.203 68.868 -0.058 0.000 0.899 183 T HN 0.559 nan 8.240 nan 0.000 0.491 184 W N 0.829 122.081 121.300 -0.079 0.000 3.077 184 W HA 0.365 5.039 4.660 0.023 0.000 0.245 184 W C 0.755 177.263 176.519 -0.017 0.000 1.316 184 W CA -0.552 56.766 57.345 -0.046 0.000 1.537 184 W CB -0.811 28.620 29.460 -0.048 0.000 1.131 184 W HN 0.248 nan 8.180 nan 0.000 0.695 185 L N 0.959 121.884 121.223 -0.496 0.000 2.592 185 L HA 0.177 4.530 4.340 0.023 0.000 0.227 185 L C 0.403 177.063 176.870 -0.349 0.000 1.127 185 L CA 0.670 55.288 54.840 -0.369 0.000 0.884 185 L CB -0.161 41.486 42.059 -0.688 0.000 1.065 185 L HN -0.240 nan 8.230 nan 0.000 0.457 186 K N -0.934 119.277 120.400 -0.315 0.000 2.259 186 K HA 0.241 4.575 4.320 0.023 0.000 0.252 186 K C 1.168 177.629 176.600 -0.231 0.000 0.936 186 K CA -0.103 55.990 56.287 -0.323 0.000 0.810 186 K CB 1.812 34.115 32.500 -0.328 0.000 1.143 186 K HN -0.109 nan 8.250 nan 0.000 0.427 187 T N -1.394 113.017 114.554 -0.238 0.000 2.778 187 T HA -0.211 4.153 4.350 0.023 0.000 0.269 187 T C 1.198 175.823 174.700 -0.124 0.000 1.050 187 T CA 1.795 63.788 62.100 -0.178 0.000 1.137 187 T CB -0.308 68.459 68.868 -0.168 0.000 0.860 187 T HN 0.703 nan 8.240 nan 0.000 0.468 188 N N 1.200 119.826 118.700 -0.123 0.000 2.254 188 N HA 0.172 4.925 4.740 0.023 0.000 0.190 188 N C 1.527 177.001 175.510 -0.061 0.000 1.107 188 N CA 0.640 53.641 53.050 -0.082 0.000 0.869 188 N CB -0.471 37.968 38.487 -0.080 0.000 0.983 188 N HN 0.674 nan 8.380 nan 0.000 0.487 189 G N -0.022 108.735 108.800 -0.072 0.000 2.249 189 G HA2 -0.054 3.920 3.960 0.023 0.000 0.273 189 G HA3 -0.054 3.920 3.960 0.023 0.000 0.273 189 G C 0.026 174.908 174.900 -0.030 0.000 1.036 189 G CA 0.529 45.608 45.100 -0.035 0.000 0.824 189 G HN 0.895 nan 8.290 nan 0.000 0.504 190 A N -1.747 121.040 122.820 -0.055 0.000 2.556 190 A HA 0.884 5.218 4.320 0.023 0.000 0.294 190 A C 1.172 178.727 177.584 -0.047 0.000 1.091 190 A CA 0.291 52.311 52.037 -0.029 0.000 0.704 190 A CB 1.078 20.076 19.000 -0.004 0.000 1.300 190 A HN 1.484 nan 8.150 nan 0.000 0.406 191 V N -1.020 118.887 119.914 -0.012 0.000 2.667 191 V HA 0.076 4.210 4.120 0.023 0.000 0.252 191 V C 0.626 176.752 176.094 0.053 0.000 1.065 191 V CA 1.739 64.032 62.300 -0.012 0.000 1.083 191 V CB -1.576 30.243 31.823 -0.006 0.000 0.692 191 V HN 0.933 nan 8.190 nan 0.000 0.468 192 N N 0.145 118.900 118.700 0.092 0.000 3.100 192 N HA 0.694 5.448 4.740 0.023 0.000 0.344 192 N C 0.293 175.833 175.510 0.050 0.000 1.413 192 N CA 0.110 53.233 53.050 0.121 0.000 0.752 192 N CB 0.697 39.308 38.487 0.207 0.000 1.519 192 N HN 0.935 nan 8.380 nan 0.000 0.620 193 G N -0.688 108.149 108.800 0.061 0.000 2.795 193 G HA2 -0.153 3.821 3.960 0.023 0.000 0.664 193 G HA3 -0.153 3.821 3.960 0.023 0.000 0.664 193 G C -0.926 173.963 174.900 -0.020 0.000 1.381 193 G CA -0.276 44.837 45.100 0.022 0.000 0.853 193 G HN 0.885 nan 8.290 nan 0.000 0.545 194 K N 0.430 120.809 120.400 -0.034 0.000 2.412 194 K HA 0.541 4.874 4.320 0.023 0.000 0.284 194 K C 0.554 177.094 176.600 -0.100 0.000 1.046 194 K CA 0.551 56.795 56.287 -0.073 0.000 0.999 194 K CB -0.054 32.410 32.500 -0.059 0.000 0.941 194 K HN 1.949 nan 8.250 nan 0.000 0.474 195 G N 1.844 110.557 108.800 -0.144 0.000 2.498 195 G HA2 0.287 4.261 3.960 0.023 0.000 0.301 195 G HA3 0.287 4.261 3.960 0.023 0.000 0.301 195 G C -1.388 173.357 174.900 -0.259 0.000 1.577 195 G CA -0.465 44.529 45.100 -0.178 0.000 0.868 195 G HN 0.695 nan 8.290 nan 0.000 0.599 196 S N 0.448 115.973 115.700 -0.292 0.000 2.811 196 S HA 0.816 5.300 4.470 0.023 0.000 0.311 196 S C -0.036 174.292 174.600 -0.454 0.000 1.152 196 S CA -0.984 56.957 58.200 -0.431 0.000 0.864 196 S CB 1.092 64.066 63.200 -0.377 0.000 1.226 196 S HN 0.793 nan 8.310 nan 0.000 0.541 197 L N 1.675 122.539 121.223 -0.599 0.000 2.485 197 L HA 0.219 4.573 4.340 0.023 0.000 0.275 197 L C 0.931 177.610 176.870 -0.318 0.000 1.207 197 L CA -0.071 54.431 54.840 -0.564 0.000 0.855 197 L CB 0.257 41.803 42.059 -0.855 0.000 1.114 197 L HN 0.663 nan 8.230 nan 0.000 0.485 198 K N 1.768 121.938 120.400 -0.384 0.000 2.187 198 K HA 0.279 4.613 4.320 0.023 0.000 0.247 198 K C 0.805 177.287 176.600 -0.197 0.000 1.019 198 K CA 0.499 56.511 56.287 -0.458 0.000 0.893 198 K CB 0.464 32.326 32.500 -1.063 0.000 1.025 198 K HN 0.832 nan 8.250 nan 0.000 0.500 199 G N 0.849 109.555 108.800 -0.157 0.000 2.596 199 G HA2 -0.335 3.639 3.960 0.023 0.000 0.295 199 G HA3 -0.335 3.639 3.960 0.023 0.000 0.295 199 G C -0.945 174.003 174.900 0.080 0.000 1.240 199 G CA 0.581 45.710 45.100 0.049 0.000 0.985 199 G HN 0.650 nan 8.290 nan 0.000 0.555 200 Q N -1.124 118.697 119.800 0.034 0.000 2.435 200 Q HA 0.622 4.976 4.340 0.023 0.000 0.282 200 Q C -3.141 172.496 176.000 -0.605 0.000 1.020 200 Q CA -2.012 53.611 55.803 -0.299 0.000 0.820 200 Q CB 1.884 30.510 28.738 -0.188 0.000 1.436 200 Q HN 0.472 nan 8.270 nan 0.000 0.395 201 P HA -0.025 nan 4.420 nan 0.000 0.266 201 P C 0.731 177.958 177.300 -0.121 0.000 1.186 201 P CA 2.135 64.979 63.100 -0.427 0.000 0.767 201 P CB 0.335 31.982 31.700 -0.089 0.000 0.820 202 G N 1.265 110.087 108.800 0.037 0.000 2.253 202 G HA2 -0.230 3.744 3.960 0.023 0.000 0.251 202 G HA3 -0.230 3.744 3.960 0.023 0.000 0.251 202 G C 0.263 175.218 174.900 0.091 0.000 0.998 202 G CA 0.499 45.634 45.100 0.058 0.000 0.621 202 G HN 0.742 nan 8.290 nan 0.000 0.524 203 D N 0.005 120.479 120.400 0.123 0.000 2.478 203 D HA 0.416 5.070 4.640 0.023 0.000 0.269 203 D C 1.764 178.191 176.300 0.211 0.000 1.232 203 D CA -0.448 53.646 54.000 0.157 0.000 1.059 203 D CB 0.191 41.099 40.800 0.179 0.000 1.104 203 D HN 0.242 nan 8.370 nan 0.000 0.566 204 I N -0.582 120.044 120.570 0.092 0.000 2.546 204 I HA -0.223 3.961 4.170 0.023 0.000 0.255 204 I C 1.288 177.460 176.117 0.091 0.000 1.163 204 I CA 0.684 61.980 61.300 -0.007 0.000 1.457 204 I CB -0.065 37.768 38.000 -0.279 0.000 1.092 204 I HN 0.310 nan 8.210 nan 0.000 0.434 205 Y N 0.191 120.683 120.300 0.319 0.000 2.200 205 Y HA -0.252 4.312 4.550 0.023 0.000 0.290 205 Y C 2.525 178.579 175.900 0.257 0.000 1.137 205 Y CA 1.846 60.137 58.100 0.318 0.000 1.163 205 Y CB -0.784 37.791 38.460 0.193 0.000 0.988 205 Y HN 0.244 nan 8.280 nan 0.000 0.518 206 H N -0.668 118.649 119.070 0.412 0.000 2.389 206 H HA -0.115 4.454 4.556 0.023 0.000 0.299 206 H C 2.054 177.666 175.328 0.474 0.000 1.081 206 H CA 1.465 57.788 56.048 0.457 0.000 1.345 206 H CB -0.054 29.980 29.762 0.453 0.000 1.393 206 H HN 0.257 nan 8.280 nan 0.000 0.520 207 Q N -0.193 119.867 119.800 0.434 0.000 2.119 207 Q HA -0.085 4.269 4.340 0.023 0.000 0.201 207 Q C 2.138 178.340 176.000 0.337 0.000 0.972 207 Q CA 1.560 57.549 55.803 0.310 0.000 0.847 207 Q CB -0.327 28.535 28.738 0.206 0.000 0.903 207 Q HN 0.486 nan 8.270 nan 0.000 0.433 208 T N 0.665 115.456 114.554 0.395 0.000 2.708 208 T HA -0.167 4.197 4.350 0.023 0.000 0.266 208 T C 1.243 176.249 174.700 0.511 0.000 1.037 208 T CA 0.961 63.327 62.100 0.444 0.000 1.146 208 T CB -0.400 68.780 68.868 0.520 0.000 0.865 208 T HN 0.504 nan 8.240 nan 0.000 0.435 209 W N 1.586 123.039 121.300 0.256 0.000 2.358 209 W HA -0.112 4.562 4.660 0.023 0.000 0.303 209 W C 2.550 179.352 176.519 0.472 0.000 1.208 209 W CA 0.764 58.263 57.345 0.257 0.000 1.274 209 W CB -0.173 29.348 29.460 0.102 0.000 1.138 209 W HN 0.291 nan 8.180 nan 0.000 0.515 210 A N 0.973 124.041 122.820 0.414 0.000 1.933 210 A HA -0.212 4.122 4.320 0.023 0.000 0.218 210 A C 1.905 179.570 177.584 0.136 0.000 1.175 210 A CA 1.699 53.809 52.037 0.121 0.000 0.628 210 A CB -0.850 18.157 19.000 0.012 0.000 0.814 210 A HN 0.353 nan 8.150 nan 0.000 0.444 211 R N -2.393 118.230 120.500 0.205 0.000 2.189 211 R HA -0.074 4.280 4.340 0.023 0.000 0.223 211 R C 1.980 178.376 176.300 0.159 0.000 1.092 211 R CA 1.254 57.448 56.100 0.155 0.000 0.989 211 R CB -0.397 29.997 30.300 0.156 0.000 0.876 211 R HN 0.767 nan 8.270 nan 0.000 0.457 212 Y N 0.060 120.422 120.300 0.103 0.000 2.181 212 Y HA -0.250 4.314 4.550 0.023 0.000 0.288 212 Y C 1.509 177.391 175.900 -0.030 0.000 1.146 212 Y CA 1.375 59.519 58.100 0.072 0.000 1.164 212 Y CB -0.088 38.483 38.460 0.186 0.000 0.982 212 Y HN -0.096 nan 8.280 nan 0.000 0.515 213 F N -0.604 119.325 119.950 -0.034 0.000 2.091 213 F HA -0.291 4.250 4.527 0.023 0.000 0.299 213 F C 2.377 178.139 175.800 -0.065 0.000 1.103 213 F CA 1.726 59.672 58.000 -0.090 0.000 1.228 213 F CB -1.152 37.722 39.000 -0.210 0.000 0.984 213 F HN -0.093 nan 8.300 nan 0.000 0.477 214 V N -0.028 119.955 119.914 0.116 0.000 2.358 214 V HA -0.250 3.884 4.120 0.023 0.000 0.246 214 V C 2.414 178.461 176.094 -0.078 0.000 1.047 214 V CA 1.598 63.931 62.300 0.054 0.000 1.035 214 V CB -0.504 31.366 31.823 0.077 0.000 0.658 214 V HN 0.236 nan 8.190 nan 0.000 0.452 215 K N -0.479 119.757 120.400 -0.274 0.000 2.097 215 K HA -0.180 4.154 4.320 0.023 0.000 0.206 215 K C 2.084 178.348 176.600 -0.561 0.000 1.049 215 K CA 1.607 57.495 56.287 -0.666 0.000 0.933 215 K CB -0.581 31.039 32.500 -1.466 0.000 0.717 215 K HN 0.529 nan 8.250 nan 0.000 0.442 216 F N 2.041 121.746 119.950 -0.409 0.000 2.102 216 F HA -0.162 4.378 4.527 0.023 0.000 0.298 216 F C 1.947 177.673 175.800 -0.125 0.000 1.105 216 F CA 1.268 59.197 58.000 -0.119 0.000 1.239 216 F CB -0.354 38.561 39.000 -0.142 0.000 0.991 216 F HN -0.141 nan 8.300 nan 0.000 0.474 217 L N -0.020 120.992 121.223 -0.353 0.000 2.093 217 L HA -0.185 4.169 4.340 0.023 0.000 0.208 217 L C 2.184 178.871 176.870 -0.305 0.000 1.085 217 L CA 1.224 55.733 54.840 -0.553 0.000 0.755 217 L CB -0.867 40.650 42.059 -0.903 0.000 0.904 217 L HN 0.092 nan 8.230 nan 0.000 0.435 218 D N 0.362 120.701 120.400 -0.102 0.000 2.097 218 D HA -0.164 4.490 4.640 0.023 0.000 0.195 218 D C 2.243 178.554 176.300 0.019 0.000 0.989 218 D CA 1.606 55.645 54.000 0.064 0.000 0.827 218 D CB -0.016 40.798 40.800 0.024 0.000 0.966 218 D HN 0.307 nan 8.370 nan 0.000 0.456 219 A N -0.036 122.770 122.820 -0.023 0.000 1.898 219 A HA -0.196 4.138 4.320 0.023 0.000 0.216 219 A C 2.114 179.733 177.584 0.058 0.000 1.181 219 A CA 1.055 53.119 52.037 0.045 0.000 0.620 219 A CB -1.005 18.053 19.000 0.097 0.000 0.819 219 A HN 0.201 nan 8.150 nan 0.000 0.442 220 Y N 0.004 120.159 120.300 -0.242 0.000 2.181 220 Y HA -0.105 4.458 4.550 0.023 0.000 0.288 220 Y C 2.888 178.789 175.900 0.002 0.000 1.146 220 Y CA 0.818 58.819 58.100 -0.164 0.000 1.164 220 Y CB -0.575 37.716 38.460 -0.281 0.000 0.982 220 Y HN 0.328 nan 8.280 nan 0.000 0.515 221 A N -0.431 122.468 122.820 0.132 0.000 2.070 221 A HA -0.224 4.110 4.320 0.023 0.000 0.220 221 A C 2.054 179.689 177.584 0.086 0.000 1.159 221 A CA 1.791 53.904 52.037 0.127 0.000 0.656 221 A CB -0.596 18.510 19.000 0.177 0.000 0.800 221 A HN 0.520 nan 8.150 nan 0.000 0.453 222 E N -1.198 119.046 120.200 0.074 0.000 2.208 222 E HA -0.131 4.232 4.350 0.023 0.000 0.193 222 E C 0.591 177.143 176.600 -0.080 0.000 0.988 222 E CA 0.701 57.099 56.400 -0.003 0.000 0.828 222 E CB -0.043 29.648 29.700 -0.014 0.000 0.763 222 E HN 0.809 nan 8.360 nan 0.000 0.478 223 H N -0.126 118.912 119.070 -0.053 0.000 2.568 223 H HA 0.241 4.811 4.556 0.023 0.000 0.302 223 H C -0.434 174.951 175.328 0.095 0.000 1.065 223 H CA 0.053 56.093 56.048 -0.013 0.000 1.140 223 H CB 0.090 29.805 29.762 -0.080 0.000 1.474 223 H HN -0.022 nan 8.280 nan 0.000 0.545 224 K N 0.227 120.707 120.400 0.134 0.000 3.071 224 K HA -0.183 4.151 4.320 0.023 0.000 0.265 224 K C -0.964 175.723 176.600 0.145 0.000 1.060 224 K CA 0.301 56.665 56.287 0.129 0.000 0.767 224 K CB -1.604 30.954 32.500 0.098 0.000 1.241 224 K HN 0.340 nan 8.250 nan 0.000 0.486 225 L N 1.177 122.460 121.223 0.099 0.000 2.346 225 L HA 0.380 4.734 4.340 0.023 0.000 0.276 225 L C 0.181 177.077 176.870 0.043 0.000 1.006 225 L CA -1.008 53.841 54.840 0.015 0.000 0.817 225 L CB 1.643 43.675 42.059 -0.045 0.000 1.272 225 L HN 0.015 nan 8.230 nan 0.000 0.421 226 Q N 2.383 122.170 119.800 -0.020 0.000 2.377 226 Q HA 0.543 4.897 4.340 0.023 0.000 0.271 226 Q C -1.285 174.684 176.000 -0.051 0.000 1.077 226 Q CA -0.634 55.200 55.803 0.052 0.000 0.820 226 Q CB 2.703 31.485 28.738 0.074 0.000 1.347 226 Q HN 0.310 nan 8.270 nan 0.000 0.444 227 F N 0.492 120.463 119.950 0.035 0.000 2.399 227 F HA 0.199 4.740 4.527 0.023 0.000 0.334 227 F C 0.997 176.855 175.800 0.097 0.000 1.097 227 F CA -0.649 57.389 58.000 0.063 0.000 1.076 227 F CB 0.954 39.964 39.000 0.017 0.000 1.162 227 F HN 0.753 nan 8.300 nan 0.000 0.495 228 W N 3.586 124.956 121.300 0.116 0.000 2.443 228 W HA 0.403 5.077 4.660 0.024 0.000 0.296 228 W C -0.183 176.355 176.519 0.033 0.000 1.202 228 W CA 1.029 58.397 57.345 0.038 0.000 1.312 228 W CB -0.058 29.398 29.460 -0.005 0.000 1.120 228 W HN 0.427 nan 8.180 nan 0.000 0.536 229 A N 0.151 122.762 122.820 -0.348 0.000 2.609 229 A HA 0.605 4.939 4.320 0.023 0.000 0.291 229 A C -1.292 176.128 177.584 -0.275 0.000 1.096 229 A CA -0.205 51.416 52.037 -0.693 0.000 0.684 229 A CB 0.937 18.964 19.000 -1.622 0.000 1.282 229 A HN 0.568 nan 8.150 nan 0.000 0.412 230 V N -1.304 118.445 119.914 -0.275 0.000 2.962 230 V HA 0.947 5.081 4.120 0.023 0.000 0.313 230 V C -0.020 175.985 176.094 -0.148 0.000 1.099 230 V CA 0.053 62.258 62.300 -0.158 0.000 0.971 230 V CB 1.372 33.165 31.823 -0.051 0.000 1.028 230 V HN 1.689 nan 8.190 nan 0.000 0.430 231 T N 0.208 114.711 114.554 -0.085 0.000 2.934 231 T HA 0.719 5.083 4.350 0.023 0.000 0.283 231 T C 1.079 175.771 174.700 -0.013 0.000 1.005 231 T CA -0.030 62.014 62.100 -0.092 0.000 1.041 231 T CB 1.636 70.436 68.868 -0.115 0.000 1.042 231 T HN 1.655 nan 8.240 nan 0.000 0.505 232 A N 0.450 123.218 122.820 -0.087 0.000 2.167 232 A HA 0.367 4.701 4.320 0.023 0.000 0.214 232 A C 0.749 178.330 177.584 -0.004 0.000 1.151 232 A CA 0.991 52.981 52.037 -0.079 0.000 0.735 232 A CB -0.797 18.106 19.000 -0.161 0.000 0.802 232 A HN 1.053 nan 8.150 nan 0.000 0.467 233 E N -1.500 118.655 120.200 -0.077 0.000 3.745 233 E HA 0.035 4.399 4.350 0.023 0.000 0.349 233 E C -1.270 175.155 176.600 -0.292 0.000 1.106 233 E CA -0.205 56.125 56.400 -0.117 0.000 0.879 233 E CB -0.738 28.838 29.700 -0.207 0.000 1.186 233 E HN 0.236 nan 8.360 nan 0.000 0.519 234 N N 3.432 121.877 118.700 -0.426 0.000 2.483 234 N HA 0.134 4.888 4.740 0.023 0.000 0.264 234 N C -0.654 174.493 175.510 -0.606 0.000 1.197 234 N CA 0.669 53.300 53.050 -0.698 0.000 0.927 234 N CB 0.462 38.056 38.487 -1.488 0.000 1.065 234 N HN 0.524 nan 8.380 nan 0.000 0.461 235 E N 1.794 121.625 120.200 -0.616 0.000 2.131 235 E HA -0.198 4.166 4.350 0.023 0.000 0.166 235 E C -1.638 174.694 176.600 -0.446 0.000 1.514 235 E CA 0.098 56.158 56.400 -0.566 0.000 0.646 235 E CB -0.813 28.609 29.700 -0.464 0.000 1.051 235 E HN 0.690 nan 8.360 nan 0.000 0.315 236 P HA -0.282 nan 4.420 nan 0.000 0.217 236 P C 1.547 178.779 177.300 -0.114 0.000 1.148 236 P CA 2.040 65.070 63.100 -0.117 0.000 0.834 236 P CB -0.008 31.699 31.700 0.011 0.000 0.783 237 S N -0.624 114.929 115.700 -0.246 0.000 2.481 237 S HA 0.045 4.529 4.470 0.023 0.000 0.231 237 S C 2.110 176.547 174.600 -0.271 0.000 0.996 237 S CA 0.766 58.868 58.200 -0.163 0.000 0.942 237 S CB -1.080 61.999 63.200 -0.202 0.000 0.768 237 S HN 0.149 nan 8.310 nan 0.000 0.520 238 A N 1.649 124.195 122.820 -0.457 0.000 1.969 238 A HA 0.278 4.612 4.320 0.023 0.000 0.218 238 A C 2.226 179.377 177.584 -0.721 0.000 1.169 238 A CA 1.194 52.739 52.037 -0.821 0.000 0.635 238 A CB -1.443 16.762 19.000 -1.326 0.000 0.810 238 A HN 0.674 nan 8.150 nan 0.000 0.445 239 G N -0.819 107.705 108.800 -0.460 0.000 2.848 239 G HA2 0.224 4.198 3.960 0.023 0.000 0.208 239 G HA3 0.224 4.198 3.960 0.023 0.000 0.208 239 G C 1.056 175.828 174.900 -0.212 0.000 1.152 239 G CA 0.357 45.266 45.100 -0.319 0.000 0.789 239 G HN 0.444 nan 8.290 nan 0.000 0.531 240 L N -0.296 120.819 121.223 -0.180 0.000 2.607 240 L HA 0.318 4.672 4.340 0.023 0.000 0.228 240 L C -0.197 176.621 176.870 -0.088 0.000 1.123 240 L CA -0.283 54.491 54.840 -0.109 0.000 0.890 240 L CB 0.156 42.177 42.059 -0.063 0.000 1.103 240 L HN 0.005 nan 8.230 nan 0.000 0.468 241 L N 0.270 121.435 121.223 -0.097 0.000 2.265 241 L HA 0.249 4.603 4.340 0.023 0.000 0.289 241 L C 0.716 177.585 176.870 -0.002 0.000 1.033 241 L CA -0.031 54.789 54.840 -0.034 0.000 0.814 241 L CB 1.121 43.184 42.059 0.007 0.000 1.203 241 L HN -0.090 nan 8.230 nan 0.000 0.423 242 S N 2.778 118.471 115.700 -0.012 0.000 2.573 242 S HA 0.243 4.727 4.470 0.023 0.000 0.297 242 S C 1.430 176.032 174.600 0.003 0.000 1.280 242 S CA 0.649 58.843 58.200 -0.010 0.000 1.061 242 S CB -0.081 63.109 63.200 -0.017 0.000 0.812 242 S HN 1.254 nan 8.310 nan 0.000 0.500 243 G N 3.310 112.110 108.800 -0.000 0.000 2.180 243 G HA2 -0.331 3.642 3.960 0.023 0.000 0.263 243 G HA3 -0.331 3.642 3.960 0.023 0.000 0.263 243 G C 0.045 174.929 174.900 -0.027 0.000 0.989 243 G CA 0.563 45.656 45.100 -0.012 0.000 0.692 243 G HN 1.063 nan 8.290 nan 0.000 0.526 244 Y N 1.515 121.741 120.300 -0.124 0.000 2.895 244 Y HA 0.217 4.781 4.550 0.023 0.000 0.334 244 Y C -0.158 175.625 175.900 -0.194 0.000 1.261 244 Y CA -0.216 57.767 58.100 -0.196 0.000 1.560 244 Y CB 0.934 39.251 38.460 -0.239 0.000 1.253 244 Y HN 0.100 nan 8.280 nan 0.000 0.582 245 P HA -0.046 nan 4.420 nan 0.000 0.224 245 P C -0.629 176.600 177.300 -0.120 0.000 1.157 245 P CA 1.109 64.018 63.100 -0.318 0.000 0.799 245 P CB 0.079 31.590 31.700 -0.316 0.000 0.809 246 F N -2.653 117.254 119.950 -0.071 0.000 2.849 246 F HA 0.677 5.218 4.527 0.023 0.000 0.341 246 F C -0.486 175.554 175.800 0.400 0.000 1.185 246 F CA -2.017 56.088 58.000 0.176 0.000 1.007 246 F CB -0.324 38.702 39.000 0.043 0.000 1.454 246 F HN -0.489 nan 8.300 nan 0.000 0.518 247 Q N 1.089 121.365 119.800 0.794 0.000 2.263 247 Q HA 0.423 4.777 4.340 0.023 0.000 0.289 247 Q C -0.366 175.895 176.000 0.436 0.000 1.061 247 Q CA 0.635 56.740 55.803 0.504 0.000 0.927 247 Q CB 0.354 29.329 28.738 0.396 0.000 1.154 247 Q HN 0.871 nan 8.270 nan 0.000 0.378 248 C N 0.547 119.940 119.300 0.154 0.000 3.306 248 C HA 0.847 5.321 4.460 0.023 0.000 0.335 248 C C -1.884 173.027 174.990 -0.133 0.000 1.382 248 C CA -1.227 57.773 59.018 -0.030 0.000 1.254 248 C CB 0.743 28.352 27.740 -0.220 0.000 1.555 248 C HN 0.783 nan 8.230 nan 0.000 0.463 249 L N 1.949 123.063 121.223 -0.182 0.000 2.596 249 L HA 0.721 5.075 4.340 0.023 0.000 0.265 249 L C 0.212 176.956 176.870 -0.210 0.000 0.962 249 L CA 0.426 55.116 54.840 -0.250 0.000 0.891 249 L CB 1.328 43.240 42.059 -0.246 0.000 1.248 249 L HN 1.410 nan 8.230 nan 0.000 0.410 250 G N 3.474 112.083 108.800 -0.318 0.000 2.380 250 G HA2 0.468 4.441 3.960 0.023 0.000 0.262 250 G HA3 0.468 4.441 3.960 0.023 0.000 0.262 250 G C -1.118 173.536 174.900 -0.410 0.000 1.243 250 G CA 0.017 44.971 45.100 -0.242 0.000 0.865 250 G HN 0.367 nan 8.290 nan 0.000 0.513 251 F N 0.452 120.347 119.950 -0.091 0.000 2.556 251 F HA 0.427 4.968 4.527 0.023 0.000 0.314 251 F C 0.951 176.812 175.800 0.102 0.000 1.106 251 F CA -0.794 57.184 58.000 -0.037 0.000 0.911 251 F CB 2.292 41.267 39.000 -0.041 0.000 1.190 251 F HN 0.624 nan 8.300 nan 0.000 0.448 252 T N -0.368 114.303 114.554 0.194 0.000 2.788 252 T HA 0.267 4.631 4.350 0.023 0.000 0.287 252 T C -2.034 172.458 174.700 -0.346 0.000 1.007 252 T CA -1.673 60.430 62.100 0.004 0.000 1.005 252 T CB 1.264 70.112 68.868 -0.034 0.000 1.012 252 T HN 0.284 nan 8.240 nan 0.000 0.530 253 P HA -0.052 nan 4.420 nan 0.000 0.217 253 P C 1.127 178.073 177.300 -0.590 0.000 1.150 253 P CA 1.075 63.298 63.100 -1.462 0.000 0.832 253 P CB 0.031 30.747 31.700 -1.639 0.000 0.787 254 E N -1.460 118.535 120.200 -0.342 0.000 2.077 254 E HA -0.198 4.166 4.350 0.023 0.000 0.193 254 E C 2.144 178.745 176.600 0.001 0.000 0.989 254 E CA 1.052 57.356 56.400 -0.159 0.000 0.800 254 E CB -1.217 28.410 29.700 -0.122 0.000 0.746 254 E HN 0.484 nan 8.360 nan 0.000 0.452 255 H N 0.032 119.073 119.070 -0.048 0.000 2.352 255 H HA -0.168 4.402 4.556 0.023 0.000 0.299 255 H C 2.251 177.754 175.328 0.292 0.000 1.097 255 H CA 1.539 57.660 56.048 0.121 0.000 1.311 255 H CB 0.264 30.100 29.762 0.124 0.000 1.377 255 H HN 0.173 nan 8.280 nan 0.000 0.504 256 Q N 0.606 120.577 119.800 0.285 0.000 2.079 256 Q HA -0.182 4.172 4.340 0.023 0.000 0.200 256 Q C 2.551 178.612 176.000 0.101 0.000 0.974 256 Q CA 1.335 57.224 55.803 0.143 0.000 0.840 256 Q CB -0.043 28.716 28.738 0.036 0.000 0.898 256 Q HN 0.347 nan 8.270 nan 0.000 0.430 257 R N 0.105 120.602 120.500 -0.005 0.000 2.097 257 R HA -0.193 4.161 4.340 0.023 0.000 0.236 257 R C 1.471 177.794 176.300 0.039 0.000 1.135 257 R CA 2.142 58.224 56.100 -0.029 0.000 0.934 257 R CB -0.279 29.968 30.300 -0.088 0.000 0.846 257 R HN 0.398 nan 8.270 nan 0.000 0.431 258 D N -0.234 120.222 120.400 0.094 0.000 2.144 258 D HA -0.158 4.496 4.640 0.023 0.000 0.200 258 D C 1.630 178.037 176.300 0.177 0.000 0.978 258 D CA 0.867 54.927 54.000 0.100 0.000 0.833 258 D CB -0.349 40.493 40.800 0.070 0.000 0.961 258 D HN 0.217 nan 8.370 nan 0.000 0.470 259 F N 1.617 121.669 119.950 0.169 0.000 2.161 259 F HA -0.123 4.418 4.527 0.023 0.000 0.300 259 F C 2.049 177.867 175.800 0.030 0.000 1.089 259 F CA 0.951 59.074 58.000 0.205 0.000 1.282 259 F CB -0.292 38.929 39.000 0.368 0.000 1.010 259 F HN -0.132 nan 8.300 nan 0.000 0.485 260 I N -0.128 120.323 120.570 -0.198 0.000 2.233 260 I HA -0.221 3.963 4.170 0.023 0.000 0.243 260 I C 2.686 178.627 176.117 -0.293 0.000 1.093 260 I CA 1.072 62.143 61.300 -0.382 0.000 1.380 260 I CB -0.881 37.003 38.000 -0.193 0.000 1.067 260 I HN 0.209 nan 8.210 nan 0.000 0.413 261 A N 0.626 123.394 122.820 -0.087 0.000 1.858 261 A HA -0.226 4.108 4.320 0.023 0.000 0.216 261 A C 2.351 179.911 177.584 -0.041 0.000 1.190 261 A CA 1.789 53.845 52.037 0.031 0.000 0.617 261 A CB -0.492 18.533 19.000 0.042 0.000 0.827 261 A HN 0.235 nan 8.150 nan 0.000 0.443 262 R N -0.935 119.526 120.500 -0.065 0.000 2.080 262 R HA 0.010 4.364 4.340 0.023 0.000 0.222 262 R C 1.159 177.395 176.300 -0.107 0.000 1.107 262 R CA 1.757 57.829 56.100 -0.047 0.000 0.980 262 R CB 0.053 30.357 30.300 0.007 0.000 0.879 262 R HN 0.615 nan 8.270 nan 0.000 0.439 263 D N -1.329 118.942 120.400 -0.214 0.000 3.194 263 D HA -0.044 4.609 4.640 0.023 0.000 0.290 263 D C 1.494 177.520 176.300 -0.457 0.000 1.280 263 D CA 0.149 54.017 54.000 -0.220 0.000 1.058 263 D CB -0.464 40.342 40.800 0.010 0.000 1.241 263 D HN 0.011 nan 8.370 nan 0.000 0.421 264 L N 1.945 122.655 121.223 -0.855 0.000 2.093 264 L HA 0.086 4.439 4.340 0.023 0.000 0.208 264 L C 2.063 178.485 176.870 -0.747 0.000 1.085 264 L CA 2.016 56.315 54.840 -0.903 0.000 0.755 264 L CB -0.798 40.457 42.059 -1.340 0.000 0.904 264 L HN 0.088 nan 8.230 nan 0.000 0.435 265 G N -0.323 107.943 108.800 -0.891 0.000 2.484 265 G HA2 -0.169 3.805 3.960 0.023 0.000 0.215 265 G HA3 -0.169 3.805 3.960 0.023 0.000 0.215 265 G C -0.612 173.589 174.900 -1.165 0.000 1.219 265 G CA 0.865 45.111 45.100 -1.425 0.000 0.791 265 G HN 0.358 nan 8.290 nan 0.000 0.550 266 P HA -0.056 nan 4.420 nan 0.000 0.215 266 P C 2.091 179.255 177.300 -0.227 0.000 1.157 266 P CA 1.909 64.811 63.100 -0.329 0.000 0.868 266 P CB -0.289 31.302 31.700 -0.182 0.000 0.788 267 T N -0.102 114.301 114.554 -0.250 0.000 2.652 267 T HA -0.140 4.224 4.350 0.023 0.000 0.267 267 T C 1.800 176.422 174.700 -0.129 0.000 1.039 267 T CA 1.176 63.184 62.100 -0.152 0.000 1.153 267 T CB -1.032 67.754 68.868 -0.137 0.000 0.863 267 T HN 0.046 nan 8.240 nan 0.000 0.428 268 L N 0.584 121.686 121.223 -0.202 0.000 2.046 268 L HA -0.126 4.227 4.340 0.023 0.000 0.208 268 L C 3.033 179.889 176.870 -0.023 0.000 1.077 268 L CA 1.268 56.041 54.840 -0.111 0.000 0.747 268 L CB -0.657 41.294 42.059 -0.179 0.000 0.896 268 L HN 0.271 nan 8.230 nan 0.000 0.432 269 A N -0.130 122.662 122.820 -0.047 0.000 1.902 269 A HA -0.247 4.087 4.320 0.023 0.000 0.217 269 A C 1.891 179.495 177.584 0.034 0.000 1.181 269 A CA 2.057 54.125 52.037 0.052 0.000 0.623 269 A CB -0.611 18.453 19.000 0.107 0.000 0.818 269 A HN 0.437 nan 8.150 nan 0.000 0.443 270 N N -0.287 118.410 118.700 -0.004 0.000 2.434 270 N HA 0.030 4.784 4.740 0.023 0.000 0.196 270 N C 0.267 175.776 175.510 -0.001 0.000 1.183 270 N CA 0.669 53.712 53.050 -0.012 0.000 0.849 270 N CB -0.140 38.336 38.487 -0.019 0.000 0.992 270 N HN 0.552 nan 8.380 nan 0.000 0.460 271 S N -2.604 113.113 115.700 0.027 0.000 2.726 271 S HA 0.261 4.745 4.470 0.023 0.000 0.308 271 S C 1.273 175.879 174.600 0.010 0.000 1.115 271 S CA -0.209 57.995 58.200 0.007 0.000 0.965 271 S CB 0.824 64.044 63.200 0.033 0.000 1.145 271 S HN 0.195 nan 8.310 nan 0.000 0.532 272 T N -1.624 112.830 114.554 -0.166 0.000 3.098 272 T HA -0.001 4.363 4.350 0.023 0.000 0.266 272 T C 0.588 175.089 174.700 -0.331 0.000 1.145 272 T CA 0.759 62.731 62.100 -0.214 0.000 1.092 272 T CB -0.764 67.913 68.868 -0.317 0.000 0.908 272 T HN 0.751 nan 8.240 nan 0.000 0.526 273 H N 1.157 120.224 119.070 -0.004 0.000 2.507 273 H HA 0.155 4.725 4.556 0.023 0.000 0.294 273 H C 1.788 177.035 175.328 -0.134 0.000 1.064 273 H CA 0.239 56.237 56.048 -0.083 0.000 1.138 273 H CB -0.424 29.319 29.762 -0.030 0.000 1.515 273 H HN 0.730 nan 8.280 nan 0.000 0.547 274 H N -0.133 118.958 119.070 0.034 0.000 2.489 274 H HA -0.047 4.523 4.556 0.023 0.000 0.293 274 H C 0.660 175.991 175.328 0.006 0.000 1.066 274 H CA 0.646 56.702 56.048 0.012 0.000 1.305 274 H CB 0.053 29.815 29.762 -0.001 0.000 1.386 274 H HN 0.142 nan 8.280 nan 0.000 0.551 275 N N 1.196 119.633 118.700 -0.439 0.000 2.515 275 N HA 0.016 4.770 4.740 0.023 0.000 0.185 275 N C 0.158 175.594 175.510 -0.123 0.000 1.109 275 N CA 0.096 53.029 53.050 -0.196 0.000 0.903 275 N CB 0.373 38.732 38.487 -0.213 0.000 0.969 275 N HN 0.113 nan 8.380 nan 0.000 0.450 276 V N 3.155 123.008 119.914 -0.101 0.000 2.572 276 V HA 0.032 4.166 4.120 0.023 0.000 0.291 276 V C 0.759 176.731 176.094 -0.203 0.000 1.039 276 V CA -0.256 61.975 62.300 -0.116 0.000 1.055 276 V CB 0.604 32.397 31.823 -0.050 0.000 0.969 276 V HN 0.100 nan 8.190 nan 0.000 0.482 277 R N 3.763 124.036 120.500 -0.377 0.000 2.459 277 R HA 0.491 4.845 4.340 0.023 0.000 0.281 277 R C -0.582 175.512 176.300 -0.344 0.000 1.050 277 R CA -0.800 55.048 56.100 -0.420 0.000 1.055 277 R CB 0.935 30.807 30.300 -0.714 0.000 1.045 277 R HN 0.513 nan 8.270 nan 0.000 0.495 278 L N 3.210 124.306 121.223 -0.210 0.000 2.296 278 L HA 0.427 4.780 4.340 0.023 0.000 0.286 278 L C -1.010 175.768 176.870 -0.154 0.000 1.023 278 L CA -0.275 54.450 54.840 -0.192 0.000 0.812 278 L CB 1.058 43.016 42.059 -0.169 0.000 1.223 278 L HN 0.446 nan 8.230 nan 0.000 0.421 279 L N 5.757 126.867 121.223 -0.188 0.000 2.325 279 L HA 0.605 4.959 4.340 0.023 0.000 0.278 279 L C 0.202 176.988 176.870 -0.140 0.000 1.023 279 L CA -0.761 53.988 54.840 -0.153 0.000 0.811 279 L CB 1.658 43.610 42.059 -0.178 0.000 1.249 279 L HN 0.759 nan 8.230 nan 0.000 0.431 280 M N 1.573 121.101 119.600 -0.119 0.000 2.649 280 M HA 0.573 5.066 4.480 0.023 0.000 0.294 280 M C 0.489 176.698 176.300 -0.152 0.000 1.206 280 M CA -0.410 54.825 55.300 -0.110 0.000 0.928 280 M CB 1.809 34.371 32.600 -0.062 0.000 1.571 280 M HN 0.532 nan 8.290 nan 0.000 0.501 281 L N 0.318 121.427 121.223 -0.189 0.000 3.782 281 L HA -0.343 4.010 4.340 0.023 0.000 0.053 281 L C 0.308 176.858 176.870 -0.534 0.000 4.256 281 L CA 2.963 57.536 54.840 -0.445 0.000 0.725 281 L CB -1.759 40.071 42.059 -0.383 0.000 3.466 281 L HN 1.184 nan 8.230 nan 0.000 0.901 282 D N 0.468 120.602 120.400 -0.444 0.000 2.689 282 D HA -0.106 4.548 4.640 0.023 0.000 0.237 282 D C -0.387 175.296 176.300 -1.029 0.000 1.148 282 D CA 1.414 55.103 54.000 -0.517 0.000 0.656 282 D CB -0.808 39.773 40.800 -0.366 0.000 1.050 282 D HN 0.706 nan 8.370 nan 0.000 0.426 283 D N -0.925 118.887 120.400 -0.980 0.000 2.759 283 D HA 0.178 4.832 4.640 0.023 0.000 0.321 283 D C -0.347 175.534 176.300 -0.699 0.000 1.267 283 D CA -0.417 52.999 54.000 -0.974 0.000 0.933 283 D CB 0.736 41.016 40.800 -0.867 0.000 1.431 283 D HN -0.080 nan 8.370 nan 0.000 0.504 284 Q N 0.913 120.382 119.800 -0.551 0.000 2.349 284 Q HA 0.009 4.363 4.340 0.023 0.000 0.287 284 Q C 1.073 176.807 176.000 -0.444 0.000 1.044 284 Q CA 0.146 55.686 55.803 -0.439 0.000 0.918 284 Q CB 0.661 29.178 28.738 -0.370 0.000 1.242 284 Q HN 0.452 nan 8.270 nan 0.000 0.405 285 R N 2.972 123.186 120.500 -0.476 0.000 2.328 285 R HA -0.130 4.224 4.340 0.023 0.000 0.207 285 R C 1.414 177.580 176.300 -0.223 0.000 1.056 285 R CA 0.961 56.826 56.100 -0.391 0.000 1.016 285 R CB -0.421 29.569 30.300 -0.518 0.000 0.872 285 R HN 0.612 nan 8.270 nan 0.000 0.471 286 L N -1.497 119.603 121.223 -0.206 0.000 2.395 286 L HA 0.114 4.468 4.340 0.023 0.000 0.218 286 L C 1.716 178.532 176.870 -0.089 0.000 1.130 286 L CA 1.098 55.865 54.840 -0.121 0.000 0.826 286 L CB -0.381 41.608 42.059 -0.118 0.000 0.941 286 L HN -0.013 nan 8.230 nan 0.000 0.451 287 L N 0.293 121.425 121.223 -0.151 0.000 2.650 287 L HA 0.162 4.516 4.340 0.023 0.000 0.235 287 L C 0.360 177.274 176.870 0.073 0.000 1.149 287 L CA 0.135 54.941 54.840 -0.057 0.000 0.887 287 L CB -0.424 41.422 42.059 -0.355 0.000 1.021 287 L HN 0.257 nan 8.230 nan 0.000 0.441 288 L N 0.384 121.617 121.223 0.017 0.000 2.334 288 L HA 0.348 4.701 4.340 0.023 0.000 0.272 288 L C -1.467 175.460 176.870 0.095 0.000 1.020 288 L CA -1.527 53.359 54.840 0.076 0.000 0.812 288 L CB 1.520 43.594 42.059 0.025 0.000 1.264 288 L HN -0.207 nan 8.230 nan 0.000 0.439 289 P HA -0.016 nan 4.420 nan 0.000 0.261 289 P C 0.936 178.373 177.300 0.230 0.000 1.268 289 P CA 0.409 63.617 63.100 0.179 0.000 0.833 289 P CB 0.176 31.982 31.700 0.176 0.000 1.231 290 H N -0.096 119.052 119.070 0.130 0.000 2.289 290 H HA -0.187 4.382 4.556 0.023 0.000 0.294 290 H C 1.460 176.862 175.328 0.125 0.000 1.095 290 H CA 2.213 58.329 56.048 0.114 0.000 1.256 290 H CB -0.959 28.862 29.762 0.097 0.000 1.359 290 H HN 0.029 nan 8.280 nan 0.000 0.487 291 W N 0.478 121.691 121.300 -0.144 0.000 2.338 291 W HA -0.149 4.525 4.660 0.024 0.000 0.304 291 W C 2.944 179.332 176.519 -0.218 0.000 1.212 291 W CA 2.377 59.585 57.345 -0.228 0.000 1.264 291 W CB -0.854 28.513 29.460 -0.155 0.000 1.142 291 W HN 0.387 nan 8.180 nan 0.000 0.512 292 A N -0.193 122.673 122.820 0.077 0.000 1.902 292 A HA -0.206 4.128 4.320 0.023 0.000 0.217 292 A C 1.927 179.381 177.584 -0.216 0.000 1.181 292 A CA 1.922 53.890 52.037 -0.116 0.000 0.623 292 A CB -0.664 18.315 19.000 -0.035 0.000 0.818 292 A HN 0.282 nan 8.150 nan 0.000 0.443 293 K N -0.452 119.977 120.400 0.049 0.000 1.991 293 K HA -0.106 4.227 4.320 0.023 0.000 0.212 293 K C 1.906 178.472 176.600 -0.055 0.000 1.049 293 K CA 1.632 58.007 56.287 0.146 0.000 0.932 293 K CB -0.484 32.116 32.500 0.166 0.000 0.717 293 K HN 0.273 nan 8.250 nan 0.000 0.441 294 V N 0.872 120.653 119.914 -0.221 0.000 2.282 294 V HA -0.263 3.871 4.120 0.023 0.000 0.249 294 V C 2.234 178.199 176.094 -0.214 0.000 1.057 294 V CA 1.789 63.924 62.300 -0.275 0.000 1.032 294 V CB -0.451 31.076 31.823 -0.493 0.000 0.645 294 V HN 0.129 nan 8.190 nan 0.000 0.447 295 V N -0.753 119.023 119.914 -0.229 0.000 2.407 295 V HA -0.097 4.037 4.120 0.023 0.000 0.245 295 V C 2.093 178.073 176.094 -0.189 0.000 1.041 295 V CA 1.545 63.732 62.300 -0.187 0.000 1.040 295 V CB -0.315 31.415 31.823 -0.155 0.000 0.671 295 V HN 0.430 nan 8.190 nan 0.000 0.455 296 L N 0.401 121.450 121.223 -0.290 0.000 2.375 296 L HA -0.000 4.354 4.340 0.023 0.000 0.215 296 L C 2.182 178.988 176.870 -0.106 0.000 1.108 296 L CA 1.313 55.957 54.840 -0.327 0.000 0.830 296 L CB -0.596 40.949 42.059 -0.855 0.000 0.959 296 L HN 0.491 nan 8.230 nan 0.000 0.457 297 T N -3.831 110.711 114.554 -0.021 0.000 3.380 297 T HA 0.006 4.370 4.350 0.023 0.000 0.250 297 T C 0.214 174.913 174.700 -0.002 0.000 1.082 297 T CA -0.242 61.891 62.100 0.055 0.000 0.968 297 T CB -0.409 68.513 68.868 0.090 0.000 1.027 297 T HN 0.032 nan 8.240 nan 0.000 0.575 298 D N 1.576 121.954 120.400 -0.036 0.000 2.462 298 D HA 0.274 4.928 4.640 0.023 0.000 0.245 298 D C -1.869 174.404 176.300 -0.045 0.000 1.122 298 D CA -2.567 51.410 54.000 -0.038 0.000 0.864 298 D CB 2.420 43.191 40.800 -0.048 0.000 1.098 298 D HN -0.076 nan 8.370 nan 0.000 0.541 299 P HA -0.116 nan 4.420 nan 0.000 0.220 299 P C 1.046 178.296 177.300 -0.083 0.000 1.148 299 P CA 0.662 63.727 63.100 -0.058 0.000 0.803 299 P CB 0.525 32.196 31.700 -0.048 0.000 0.782 300 E N -0.441 119.725 120.200 -0.056 0.000 2.150 300 E HA -0.020 4.344 4.350 0.023 0.000 0.193 300 E C 2.243 178.842 176.600 -0.001 0.000 0.985 300 E CA 1.089 57.464 56.400 -0.041 0.000 0.814 300 E CB -0.907 28.791 29.700 -0.004 0.000 0.752 300 E HN 0.399 nan 8.360 nan 0.000 0.466 301 A N 0.575 123.393 122.820 -0.003 0.000 1.887 301 A HA 0.364 4.698 4.320 0.023 0.000 0.212 301 A C 2.490 180.066 177.584 -0.014 0.000 1.198 301 A CA 1.177 53.234 52.037 0.033 0.000 0.628 301 A CB -0.752 18.237 19.000 -0.018 0.000 0.847 301 A HN 0.446 nan 8.150 nan 0.000 0.449 302 A N 1.354 124.126 122.820 -0.079 0.000 1.948 302 A HA -0.228 4.106 4.320 0.023 0.000 0.220 302 A C 2.099 179.605 177.584 -0.131 0.000 1.177 302 A CA 2.103 54.078 52.037 -0.103 0.000 0.636 302 A CB -0.599 18.342 19.000 -0.098 0.000 0.815 302 A HN 0.662 nan 8.150 nan 0.000 0.449 303 K N -1.428 118.833 120.400 -0.232 0.000 2.360 303 K HA -0.152 4.182 4.320 0.023 0.000 0.201 303 K C 1.211 177.574 176.600 -0.394 0.000 1.046 303 K CA 1.671 57.755 56.287 -0.338 0.000 0.945 303 K CB -0.404 31.832 32.500 -0.438 0.000 0.750 303 K HN 0.616 nan 8.250 nan 0.000 0.464 304 Y N 0.987 121.242 120.300 -0.076 0.000 2.478 304 Y HA 0.149 4.713 4.550 0.023 0.000 0.261 304 Y C 0.645 176.491 175.900 -0.091 0.000 1.127 304 Y CA -0.657 57.388 58.100 -0.092 0.000 1.288 304 Y CB 0.952 39.333 38.460 -0.133 0.000 1.084 304 Y HN -0.221 nan 8.280 nan 0.000 0.530 305 V N 0.913 120.850 119.914 0.038 0.000 2.364 305 V HA 0.009 4.142 4.120 0.023 0.000 0.272 305 V C 0.555 176.656 176.094 0.012 0.000 1.036 305 V CA -0.255 62.040 62.300 -0.008 0.000 0.880 305 V CB 0.940 32.725 31.823 -0.064 0.000 0.991 305 V HN 0.320 nan 8.190 nan 0.000 0.460 306 H N 3.618 122.639 119.070 -0.081 0.000 2.562 306 H HA 0.466 5.036 4.556 0.023 0.000 0.267 306 H C 0.629 175.937 175.328 -0.034 0.000 0.959 306 H CA 0.735 56.748 56.048 -0.059 0.000 1.204 306 H CB 0.567 30.276 29.762 -0.087 0.000 1.430 306 H HN 0.782 nan 8.280 nan 0.000 0.545 307 G N -0.444 108.258 108.800 -0.165 0.000 2.451 307 G HA2 0.351 4.325 3.960 0.023 0.000 0.292 307 G HA3 0.351 4.325 3.960 0.023 0.000 0.292 307 G C -1.757 173.092 174.900 -0.085 0.000 1.427 307 G CA -0.681 44.318 45.100 -0.168 0.000 0.792 307 G HN 0.128 nan 8.290 nan 0.000 0.498 308 I N 1.079 121.631 120.570 -0.031 0.000 2.418 308 I HA 0.583 4.767 4.170 0.023 0.000 0.287 308 I C 0.472 176.598 176.117 0.015 0.000 1.008 308 I CA -0.856 60.424 61.300 -0.034 0.000 1.104 308 I CB 1.819 39.803 38.000 -0.027 0.000 1.264 308 I HN 0.705 nan 8.210 nan 0.000 0.438 309 A N 6.413 129.217 122.820 -0.027 0.000 2.306 309 A HA 0.831 5.165 4.320 0.023 0.000 0.314 309 A C -0.615 176.903 177.584 -0.111 0.000 1.164 309 A CA -0.433 51.629 52.037 0.042 0.000 0.822 309 A CB 1.324 20.360 19.000 0.060 0.000 1.130 309 A HN 0.474 nan 8.150 nan 0.000 0.496 310 V N 2.565 122.413 119.914 -0.109 0.000 2.876 310 V HA 0.417 4.551 4.120 0.023 0.000 0.312 310 V C -0.488 175.431 176.094 -0.291 0.000 1.085 310 V CA -0.540 61.575 62.300 -0.309 0.000 0.945 310 V CB 2.031 33.632 31.823 -0.370 0.000 1.017 310 V HN 1.055 nan 8.190 nan 0.000 0.428 311 H N 1.678 120.373 119.070 -0.625 0.000 2.616 311 H HA 0.469 5.039 4.556 0.023 0.000 0.353 311 H C -1.592 173.318 175.328 -0.698 0.000 1.170 311 H CA -0.691 55.036 56.048 -0.535 0.000 1.212 311 H CB 2.172 31.769 29.762 -0.274 0.000 1.653 311 H HN 0.582 nan 8.280 nan 0.000 0.537 312 W N 1.634 122.962 121.300 0.045 0.000 2.647 312 W HA 0.232 4.907 4.660 0.026 0.000 0.328 312 W C -1.319 175.340 176.519 0.233 0.000 1.018 312 W CA -0.778 56.626 57.345 0.099 0.000 1.245 312 W CB 1.014 30.455 29.460 -0.032 0.000 1.356 312 W HN 0.474 nan 8.180 nan 0.000 0.443 313 Y N 4.537 125.014 120.300 0.294 0.000 2.535 313 Y HA 0.166 4.730 4.550 0.023 0.000 0.349 313 Y C 1.350 177.436 175.900 0.311 0.000 0.992 313 Y CA -0.624 57.657 58.100 0.302 0.000 1.248 313 Y CB 0.305 39.001 38.460 0.392 0.000 1.124 313 Y HN 0.402 nan 8.280 nan 0.000 0.520 314 L N 1.479 122.829 121.223 0.212 0.000 2.265 314 L HA -0.191 4.163 4.340 0.023 0.000 0.215 314 L C 1.364 178.290 176.870 0.093 0.000 1.117 314 L CA 1.083 56.000 54.840 0.128 0.000 0.782 314 L CB -0.054 42.016 42.059 0.018 0.000 0.914 314 L HN 0.609 nan 8.230 nan 0.000 0.441 315 D N 0.102 120.525 120.400 0.039 0.000 2.097 315 D HA -0.124 4.530 4.640 0.023 0.000 0.195 315 D C 1.191 177.372 176.300 -0.199 0.000 0.989 315 D CA 1.246 55.143 54.000 -0.171 0.000 0.827 315 D CB -0.078 40.489 40.800 -0.389 0.000 0.966 315 D HN 0.115 nan 8.370 nan 0.000 0.456 316 F N 0.126 120.173 119.950 0.162 0.000 2.139 316 F HA 0.423 4.965 4.527 0.024 0.000 0.273 316 F C 1.036 176.932 175.800 0.159 0.000 1.058 316 F CA -0.635 57.458 58.000 0.156 0.000 1.149 316 F CB 0.120 39.212 39.000 0.153 0.000 1.739 316 F HN -0.129 nan 8.300 nan 0.000 0.536 320 A N 0.242 123.000 122.820 -0.103 0.000 2.048 320 A HA 0.158 4.491 4.320 0.023 0.000 0.197 320 A C 1.763 179.078 177.584 -0.448 0.000 1.486 320 A CA 0.841 52.746 52.037 -0.220 0.000 1.029 320 A CB 0.046 18.865 19.000 -0.302 0.000 1.101 320 A HN 0.550 nan 8.150 nan 0.000 0.470 321 K N 0.483 120.589 120.400 -0.490 0.000 2.097 321 K HA -0.005 4.328 4.320 0.023 0.000 0.205 321 K C 1.762 178.315 176.600 -0.080 0.000 1.050 321 K CA 1.172 57.252 56.287 -0.345 0.000 0.938 321 K CB -0.181 32.288 32.500 -0.052 0.000 0.718 321 K HN 0.353 nan 8.250 nan 0.000 0.442 322 A N 0.459 123.250 122.820 -0.049 0.000 2.239 322 A HA -0.049 4.285 4.320 0.023 0.000 0.209 322 A C 1.570 179.161 177.584 0.011 0.000 1.171 322 A CA 1.545 53.584 52.037 0.003 0.000 0.768 322 A CB -0.357 18.649 19.000 0.009 0.000 0.790 322 A HN 0.616 nan 8.150 nan 0.000 0.478 323 T N -3.330 111.218 114.554 -0.011 0.000 3.447 323 T HA 0.200 4.564 4.350 0.023 0.000 0.218 323 T C 1.721 176.446 174.700 0.041 0.000 0.972 323 T CA 0.447 62.553 62.100 0.010 0.000 1.264 323 T CB -0.668 68.189 68.868 -0.019 0.000 1.284 323 T HN 0.072 nan 8.240 nan 0.000 0.361 324 L N 1.688 122.925 121.223 0.023 0.000 2.013 324 L HA 0.047 4.400 4.340 0.023 0.000 0.212 324 L C 3.063 180.066 176.870 0.222 0.000 1.073 324 L CA 1.867 56.781 54.840 0.123 0.000 0.753 324 L CB -1.386 40.767 42.059 0.156 0.000 0.890 324 L HN 0.610 nan 8.230 nan 0.000 0.432 325 G N -0.197 108.697 108.800 0.156 0.000 2.511 325 G HA2 -0.269 3.705 3.960 0.023 0.000 0.216 325 G HA3 -0.269 3.705 3.960 0.023 0.000 0.216 325 G C 1.382 176.427 174.900 0.242 0.000 1.218 325 G CA 0.812 46.103 45.100 0.318 0.000 0.788 325 G HN 0.396 nan 8.290 nan 0.000 0.560 326 E N -0.384 119.903 120.200 0.144 0.000 2.097 326 E HA -0.144 4.220 4.350 0.023 0.000 0.196 326 E C 2.792 179.453 176.600 0.102 0.000 1.000 326 E CA 1.629 58.089 56.400 0.101 0.000 0.804 326 E CB -0.227 29.517 29.700 0.073 0.000 0.740 326 E HN 0.367 nan 8.360 nan 0.000 0.454 327 T N -0.564 114.084 114.554 0.156 0.000 2.746 327 T HA -0.200 4.164 4.350 0.023 0.000 0.267 327 T C 1.697 176.522 174.700 0.208 0.000 1.039 327 T CA 1.734 63.964 62.100 0.216 0.000 1.142 327 T CB -0.347 68.651 68.868 0.218 0.000 0.866 327 T HN 0.343 nan 8.240 nan 0.000 0.444 328 H N 1.260 120.389 119.070 0.097 0.000 2.389 328 H HA 0.048 4.618 4.556 0.024 0.000 0.299 328 H C 2.412 177.702 175.328 -0.064 0.000 1.081 328 H CA 1.755 57.804 56.048 0.003 0.000 1.345 328 H CB -0.088 29.576 29.762 -0.162 0.000 1.393 328 H HN 0.240 nan 8.280 nan 0.000 0.520 329 R N 0.272 120.736 120.500 -0.059 0.000 2.094 329 R HA -0.117 4.237 4.340 0.023 0.000 0.239 329 R C 2.049 178.191 176.300 -0.263 0.000 1.137 329 R CA 2.105 58.122 56.100 -0.138 0.000 0.943 329 R CB -0.625 29.667 30.300 -0.014 0.000 0.850 329 R HN 0.452 nan 8.270 nan 0.000 0.433 330 L N -0.774 120.257 121.223 -0.319 0.000 2.217 330 L HA 0.023 4.377 4.340 0.023 0.000 0.211 330 L C 0.339 176.601 176.870 -1.013 0.000 1.107 330 L CA 0.815 55.232 54.840 -0.704 0.000 0.783 330 L CB 0.169 41.686 42.059 -0.903 0.000 0.919 330 L HN 0.189 nan 8.230 nan 0.000 0.442 331 F N -1.688 118.195 119.950 -0.111 0.000 2.627 331 F HA 0.274 4.815 4.527 0.023 0.000 0.344 331 F C -1.624 174.072 175.800 -0.173 0.000 1.505 331 F CA -1.418 56.519 58.000 -0.106 0.000 1.111 331 F CB 0.196 39.162 39.000 -0.056 0.000 1.585 331 F HN -0.184 nan 8.300 nan 0.000 0.582 332 P HA -0.208 nan 4.420 nan 0.000 0.217 332 P C 0.452 177.684 177.300 -0.114 0.000 1.148 332 P CA 1.578 64.421 63.100 -0.429 0.000 0.834 332 P CB 0.303 31.777 31.700 -0.376 0.000 0.783 333 N N -0.942 117.747 118.700 -0.017 0.000 2.276 333 N HA 0.036 4.790 4.740 0.023 0.000 0.212 333 N C -0.127 175.397 175.510 0.023 0.000 1.127 333 N CA 0.460 53.524 53.050 0.024 0.000 0.834 333 N CB 0.183 38.683 38.487 0.023 0.000 1.014 333 N HN 0.100 nan 8.380 nan 0.000 0.491 334 T N 2.601 117.179 114.554 0.039 0.000 2.947 334 T HA 0.262 4.626 4.350 0.023 0.000 0.337 334 T C 0.498 175.207 174.700 0.015 0.000 1.139 334 T CA -0.747 61.346 62.100 -0.011 0.000 0.992 334 T CB 0.481 69.341 68.868 -0.013 0.000 1.043 334 T HN 0.135 nan 8.240 nan 0.000 0.498 335 M N 3.151 122.726 119.600 -0.042 0.000 2.250 335 M HA 0.288 4.782 4.480 0.023 0.000 0.337 335 M C -0.689 175.677 176.300 0.111 0.000 1.161 335 M CA 0.306 55.644 55.300 0.062 0.000 1.088 335 M CB -0.384 32.245 32.600 0.049 0.000 1.639 335 M HN 0.303 nan 8.290 nan 0.000 0.447 336 L N 4.145 125.481 121.223 0.188 0.000 2.326 336 L HA 0.618 4.972 4.340 0.023 0.000 0.278 336 L C -0.807 176.223 176.870 0.266 0.000 1.092 336 L CA -0.089 54.870 54.840 0.199 0.000 0.810 336 L CB 0.678 42.862 42.059 0.208 0.000 1.153 336 L HN 0.828 nan 8.230 nan 0.000 0.439 337 F N 2.600 122.589 119.950 0.066 0.000 2.573 337 F HA 0.641 5.182 4.527 0.024 0.000 0.316 337 F C -0.380 175.420 175.800 0.001 0.000 1.148 337 F CA -0.748 57.293 58.000 0.069 0.000 0.940 337 F CB 1.309 40.380 39.000 0.118 0.000 1.214 337 F HN 0.431 nan 8.300 nan 0.000 0.448 338 A N 3.722 126.185 122.820 -0.596 0.000 2.343 338 A HA 0.427 4.761 4.320 0.023 0.000 0.305 338 A C 0.574 177.695 177.584 -0.771 0.000 1.308 338 A CA 0.259 51.948 52.037 -0.579 0.000 0.949 338 A CB -0.216 18.384 19.000 -0.666 0.000 1.148 338 A HN 0.975 nan 8.150 nan 0.000 0.545 339 S N 1.182 116.728 115.700 -0.256 0.000 2.556 339 S HA 0.252 4.736 4.470 0.023 0.000 0.216 339 S C 0.270 174.705 174.600 -0.276 0.000 0.970 339 S CA 0.166 58.374 58.200 0.014 0.000 0.912 339 S CB 0.103 63.493 63.200 0.318 0.000 0.790 339 S HN 0.778 nan 8.310 nan 0.000 0.504 340 E N -0.362 119.504 120.200 -0.557 0.000 2.388 340 E HA 0.602 4.966 4.350 0.023 0.000 0.289 340 E C -1.823 174.405 176.600 -0.619 0.000 0.944 340 E CA -0.420 55.551 56.400 -0.714 0.000 0.792 340 E CB 1.859 30.758 29.700 -1.334 0.000 1.239 340 E HN 0.331 nan 8.360 nan 0.000 0.412 341 A N 1.898 124.414 122.820 -0.507 0.000 2.515 341 A HA 0.970 5.304 4.320 0.023 0.000 0.296 341 A C -0.966 176.474 177.584 -0.240 0.000 1.094 341 A CA -0.233 51.570 52.037 -0.390 0.000 0.718 341 A CB 1.177 19.765 19.000 -0.687 0.000 1.307 341 A HN 1.077 nan 8.150 nan 0.000 0.408 342 C N -0.863 118.308 119.300 -0.215 0.000 3.045 342 C HA 0.706 5.180 4.460 0.023 0.000 0.338 342 C C -1.047 173.921 174.990 -0.036 0.000 1.267 342 C CA -0.147 58.838 59.018 -0.056 0.000 1.177 342 C CB 0.268 28.025 27.740 0.028 0.000 1.380 342 C HN 2.063 nan 8.230 nan 0.000 0.469 343 V N -0.884 119.085 119.914 0.091 0.000 3.001 343 V HA 1.045 5.179 4.120 0.023 0.000 0.314 343 V C 0.586 176.698 176.094 0.032 0.000 1.099 343 V CA 0.111 62.439 62.300 0.046 0.000 0.989 343 V CB 1.170 33.040 31.823 0.077 0.000 1.040 343 V HN 2.898 nan 8.190 nan 0.000 0.434 344 G N 0.679 109.464 108.800 -0.024 0.000 2.363 344 G HA2 -0.077 3.897 3.960 0.023 0.000 0.213 344 G HA3 -0.077 3.897 3.960 0.023 0.000 0.213 344 G C 0.231 175.113 174.900 -0.030 0.000 1.028 344 G CA 0.262 45.345 45.100 -0.028 0.000 0.822 344 G HN 0.897 nan 8.290 nan 0.000 0.536 345 S N -0.427 115.228 115.700 -0.075 0.000 2.549 345 S HA 0.239 4.723 4.470 0.023 0.000 0.225 345 S C 0.986 175.486 174.600 -0.167 0.000 1.039 345 S CA -0.230 57.942 58.200 -0.046 0.000 0.942 345 S CB 0.428 63.667 63.200 0.065 0.000 0.881 345 S HN 0.395 nan 8.310 nan 0.000 0.503 346 K N 1.320 121.501 120.400 -0.365 0.000 2.477 346 K HA -0.023 4.311 4.320 0.023 0.000 0.275 346 K C 1.217 177.512 176.600 -0.509 0.000 1.054 346 K CA 0.315 56.200 56.287 -0.671 0.000 1.135 346 K CB -0.126 31.653 32.500 -1.202 0.000 0.854 346 K HN 0.354 nan 8.250 nan 0.000 0.484 347 F N 3.286 123.134 119.950 -0.171 0.000 2.120 347 F HA -0.209 4.332 4.527 0.023 0.000 0.300 347 F C 1.803 177.667 175.800 0.106 0.000 1.095 347 F CA 1.938 59.979 58.000 0.069 0.000 1.249 347 F CB -1.393 37.744 39.000 0.229 0.000 0.995 347 F HN 0.979 nan 8.300 nan 0.000 0.480 348 W N 1.648 122.967 121.300 0.032 0.000 2.699 348 W HA 0.264 4.937 4.660 0.022 0.000 0.249 348 W C 0.287 176.833 176.519 0.046 0.000 1.280 348 W CA 0.564 57.932 57.345 0.038 0.000 1.345 348 W CB -0.734 28.747 29.460 0.035 0.000 1.128 348 W HN 0.476 nan 8.180 nan 0.000 0.642 349 E N 1.107 121.135 120.200 -0.286 0.000 2.244 349 E HA 0.297 4.661 4.350 0.023 0.000 0.266 349 E C -0.511 176.022 176.600 -0.111 0.000 0.914 349 E CA -1.081 55.208 56.400 -0.185 0.000 0.794 349 E CB 1.162 30.664 29.700 -0.329 0.000 1.210 349 E HN 0.102 nan 8.360 nan 0.000 0.414 350 Q N 0.810 120.587 119.800 -0.038 0.000 2.414 350 Q HA -0.007 4.346 4.340 0.023 0.000 0.288 350 Q C 0.692 176.653 176.000 -0.065 0.000 1.086 350 Q CA 0.237 56.026 55.803 -0.024 0.000 0.943 350 Q CB 0.574 29.317 28.738 0.008 0.000 1.282 350 Q HN 0.598 nan 8.270 nan 0.000 0.438 351 S N 0.288 115.978 115.700 -0.018 0.000 2.368 351 S HA -0.065 4.419 4.470 0.023 0.000 0.225 351 S C 0.547 175.130 174.600 -0.028 0.000 1.030 351 S CA 0.644 58.851 58.200 0.012 0.000 0.999 351 S CB 0.359 63.622 63.200 0.105 0.000 0.844 351 S HN 0.399 nan 8.310 nan 0.000 0.459 352 V N 2.309 122.185 119.914 -0.063 0.000 2.378 352 V HA 0.403 4.536 4.120 0.023 0.000 0.288 352 V C -0.315 175.673 176.094 -0.176 0.000 1.016 352 V CA -0.598 61.640 62.300 -0.103 0.000 0.840 352 V CB 1.364 33.134 31.823 -0.088 0.000 0.994 352 V HN 0.164 nan 8.190 nan 0.000 0.431 353 R N 4.791 125.111 120.500 -0.300 0.000 2.247 353 R HA 0.521 4.875 4.340 0.023 0.000 0.329 353 R C -0.825 175.227 176.300 -0.414 0.000 1.014 353 R CA -0.469 55.257 56.100 -0.622 0.000 0.907 353 R CB 1.058 30.737 30.300 -1.035 0.000 1.146 353 R HN 0.624 nan 8.270 nan 0.000 0.499 354 L N 2.551 123.643 121.223 -0.218 0.000 2.433 354 L HA 0.169 4.523 4.340 0.023 0.000 0.275 354 L C 1.263 178.162 176.870 0.048 0.000 1.128 354 L CA 0.684 55.390 54.840 -0.222 0.000 0.875 354 L CB 0.856 42.471 42.059 -0.740 0.000 1.171 354 L HN 1.014 nan 8.230 nan 0.000 0.463 355 G N 1.935 110.766 108.800 0.052 0.000 2.159 355 G HA2 -0.266 3.708 3.960 0.023 0.000 0.227 355 G HA3 -0.266 3.708 3.960 0.023 0.000 0.227 355 G C 0.362 175.367 174.900 0.175 0.000 0.986 355 G CA 0.098 45.302 45.100 0.174 0.000 0.651 355 G HN 0.630 nan 8.290 nan 0.000 0.523 356 S N 0.244 115.967 115.700 0.039 0.000 2.429 356 S HA 0.241 4.725 4.470 0.023 0.000 0.292 356 S C 1.223 175.871 174.600 0.080 0.000 1.183 356 S CA 0.424 58.629 58.200 0.008 0.000 1.088 356 S CB -0.220 62.876 63.200 -0.174 0.000 1.018 356 S HN 0.450 nan 8.310 nan 0.000 0.511 357 W N 4.476 125.756 121.300 -0.033 0.000 2.425 357 W HA -0.122 4.555 4.660 0.029 0.000 0.277 357 W C 1.225 177.686 176.519 -0.096 0.000 1.231 357 W CA 1.441 58.763 57.345 -0.038 0.000 1.248 357 W CB -0.208 29.226 29.460 -0.045 0.000 1.117 357 W HN 0.856 nan 8.180 nan 0.000 0.568 358 D N 0.028 120.411 120.400 -0.029 0.000 2.117 358 D HA -0.178 4.476 4.640 0.023 0.000 0.198 358 D C 2.188 178.379 176.300 -0.181 0.000 0.982 358 D CA 1.681 55.621 54.000 -0.100 0.000 0.828 358 D CB 0.001 40.791 40.800 -0.017 0.000 0.967 358 D HN -0.027 nan 8.370 nan 0.000 0.464 359 R N -0.335 120.068 120.500 -0.161 0.000 2.096 359 R HA 0.037 4.391 4.340 0.023 0.000 0.235 359 R C 2.398 178.568 176.300 -0.216 0.000 1.127 359 R CA 1.198 57.224 56.100 -0.123 0.000 0.968 359 R CB -0.509 29.732 30.300 -0.098 0.000 0.861 359 R HN 0.220 nan 8.270 nan 0.000 0.440 360 G N 0.813 109.333 108.800 -0.465 0.000 2.545 360 G HA2 -0.321 3.652 3.960 0.023 0.000 0.217 360 G HA3 -0.321 3.652 3.960 0.023 0.000 0.217 360 G C 1.376 175.597 174.900 -1.133 0.000 1.218 360 G CA 1.062 45.607 45.100 -0.926 0.000 0.787 360 G HN 0.192 nan 8.290 nan 0.000 0.571 361 M N 0.043 119.012 119.600 -1.052 0.000 2.195 361 M HA -0.144 4.349 4.480 0.023 0.000 0.260 361 M C 2.732 178.914 176.300 -0.196 0.000 1.066 361 M CA 1.412 56.389 55.300 -0.539 0.000 1.089 361 M CB -0.202 32.234 32.600 -0.273 0.000 1.377 361 M HN 0.313 nan 8.290 nan 0.000 0.411 362 Q N -1.266 118.451 119.800 -0.139 0.000 2.172 362 Q HA -0.162 4.192 4.340 0.023 0.000 0.200 362 Q C 1.774 177.788 176.000 0.024 0.000 0.964 362 Q CA 1.275 57.079 55.803 0.001 0.000 0.855 362 Q CB -0.017 28.738 28.738 0.029 0.000 0.918 362 Q HN 0.498 nan 8.270 nan 0.000 0.444 363 Y N 0.500 120.706 120.300 -0.157 0.000 2.114 363 Y HA -0.247 4.316 4.550 0.023 0.000 0.284 363 Y C 2.810 178.513 175.900 -0.329 0.000 1.143 363 Y CA 1.742 59.747 58.100 -0.158 0.000 1.135 363 Y CB -0.368 38.049 38.460 -0.072 0.000 0.980 363 Y HN 0.164 nan 8.280 nan 0.000 0.499 364 S N -1.609 114.095 115.700 0.007 0.000 2.436 364 S HA -0.191 4.293 4.470 0.023 0.000 0.228 364 S C 1.792 176.343 174.600 -0.082 0.000 1.014 364 S CA 1.148 59.350 58.200 0.005 0.000 0.950 364 S CB -0.763 62.737 63.200 0.501 0.000 0.784 364 S HN 0.588 nan 8.310 nan 0.000 0.504 365 H N 1.911 120.911 119.070 -0.117 0.000 2.353 365 H HA 0.084 4.654 4.556 0.023 0.000 0.300 365 H C 2.287 177.460 175.328 -0.258 0.000 1.090 365 H CA 1.719 57.693 56.048 -0.124 0.000 1.327 365 H CB -0.676 29.034 29.762 -0.088 0.000 1.383 365 H HN 0.395 nan 8.280 nan 0.000 0.508 366 S N -0.811 114.606 115.700 -0.472 0.000 2.357 366 S HA -0.042 4.442 4.470 0.023 0.000 0.221 366 S C 2.280 176.379 174.600 -0.835 0.000 1.031 366 S CA 1.032 58.822 58.200 -0.684 0.000 0.982 366 S CB -0.324 62.537 63.200 -0.565 0.000 0.853 366 S HN 0.471 nan 8.310 nan 0.000 0.458 367 I N 1.230 121.099 120.570 -1.168 0.000 2.248 367 I HA -0.222 3.962 4.170 0.023 0.000 0.248 367 I C 1.999 177.626 176.117 -0.817 0.000 1.107 367 I CA 1.251 61.676 61.300 -1.459 0.000 1.373 367 I CB -0.317 36.541 38.000 -1.902 0.000 1.055 367 I HN 0.339 nan 8.210 nan 0.000 0.418 368 I N -0.125 120.116 120.570 -0.547 0.000 2.233 368 I HA -0.228 3.955 4.170 0.023 0.000 0.243 368 I C 2.508 178.480 176.117 -0.242 0.000 1.093 368 I CA 1.357 62.516 61.300 -0.235 0.000 1.380 368 I CB -0.477 37.502 38.000 -0.036 0.000 1.067 368 I HN 0.178 nan 8.210 nan 0.000 0.413 369 T N 0.703 115.053 114.554 -0.340 0.000 2.737 369 T HA -0.190 4.174 4.350 0.023 0.000 0.269 369 T C 1.685 176.355 174.700 -0.050 0.000 1.040 369 T CA 1.512 63.486 62.100 -0.211 0.000 1.142 369 T CB -0.441 68.215 68.868 -0.354 0.000 0.861 369 T HN 0.376 nan 8.240 nan 0.000 0.456 370 N N 0.845 119.465 118.700 -0.133 0.000 2.058 370 N HA -0.017 4.737 4.740 0.023 0.000 0.191 370 N C 1.976 177.493 175.510 0.013 0.000 1.037 370 N CA 1.101 54.188 53.050 0.063 0.000 0.848 370 N CB -0.309 38.287 38.487 0.181 0.000 1.021 370 N HN 0.304 nan 8.380 nan 0.000 0.422 371 L N 1.450 122.618 121.223 -0.092 0.000 2.013 371 L HA -0.198 4.155 4.340 0.023 0.000 0.212 371 L C 2.333 179.072 176.870 -0.218 0.000 1.073 371 L CA 1.097 55.880 54.840 -0.095 0.000 0.753 371 L CB -0.546 41.478 42.059 -0.059 0.000 0.890 371 L HN 0.207 nan 8.230 nan 0.000 0.432 372 L N -1.728 119.332 121.223 -0.272 0.000 2.265 372 L HA -0.199 4.155 4.340 0.023 0.000 0.215 372 L C 0.898 177.241 176.870 -0.878 0.000 1.117 372 L CA 0.983 55.502 54.840 -0.534 0.000 0.782 372 L CB -0.236 41.532 42.059 -0.484 0.000 0.914 372 L HN 0.269 nan 8.230 nan 0.000 0.441 373 Y N -1.012 119.085 120.300 -0.338 0.000 2.774 373 Y HA 0.194 4.758 4.550 0.023 0.000 0.305 373 Y C 0.514 176.238 175.900 -0.293 0.000 1.067 373 Y CA -0.522 57.347 58.100 -0.385 0.000 1.304 373 Y CB -0.327 38.100 38.460 -0.056 0.000 1.209 373 Y HN 0.152 nan 8.280 nan 0.000 0.543 374 H N -3.404 115.625 119.070 -0.068 0.000 3.863 374 H HA -0.164 4.407 4.556 0.024 0.000 0.160 374 H C 0.326 175.679 175.328 0.040 0.000 0.870 374 H CA 0.597 56.591 56.048 -0.090 0.000 1.247 374 H CB -1.613 27.957 29.762 -0.320 0.000 0.921 374 H HN 0.093 nan 8.280 nan 0.000 0.421 375 V N 2.873 122.891 119.914 0.172 0.000 2.673 375 V HA 0.018 4.152 4.120 0.023 0.000 0.303 375 V C 2.017 178.189 176.094 0.130 0.000 1.046 375 V CA 0.924 63.334 62.300 0.182 0.000 1.126 375 V CB 1.409 33.364 31.823 0.220 0.000 0.934 375 V HN 0.367 nan 8.190 nan 0.000 0.487 376 V N 1.151 121.153 119.914 0.146 0.000 3.621 376 V HA 0.717 4.851 4.120 0.023 0.000 0.285 376 V C 0.637 176.747 176.094 0.028 0.000 1.346 376 V CA 0.737 63.109 62.300 0.121 0.000 1.104 376 V CB -0.155 31.784 31.823 0.193 0.000 0.913 376 V HN 1.059 nan 8.190 nan 0.000 0.432 377 G N -1.407 107.327 108.800 -0.109 0.000 2.579 377 G HA2 0.455 4.429 3.960 0.023 0.000 0.292 377 G HA3 0.455 4.429 3.960 0.023 0.000 0.292 377 G C -2.669 171.841 174.900 -0.650 0.000 1.484 377 G CA -0.650 44.199 45.100 -0.419 0.000 0.813 377 G HN 0.186 nan 8.290 nan 0.000 0.515 378 W N 0.757 121.506 121.300 -0.919 0.000 3.042 378 W HA 0.645 5.321 4.660 0.026 0.000 0.337 378 W C -0.543 175.758 176.519 -0.364 0.000 1.086 378 W CA -0.305 56.690 57.345 -0.583 0.000 1.236 378 W CB 2.609 31.908 29.460 -0.268 0.000 1.381 378 W HN 0.531 nan 8.180 nan 0.000 0.472 379 T N 3.653 117.939 114.554 -0.448 0.000 2.815 379 T HA 0.137 4.501 4.350 0.023 0.000 0.289 379 T C -0.640 173.937 174.700 -0.205 0.000 1.000 379 T CA -0.551 61.431 62.100 -0.197 0.000 0.958 379 T CB 1.359 70.188 68.868 -0.065 0.000 0.944 379 T HN 0.268 nan 8.240 nan 0.000 0.442 380 D N 1.180 121.591 120.400 0.019 0.000 2.361 380 D HA 0.117 4.771 4.640 0.023 0.000 0.239 380 D C 0.468 176.880 176.300 0.186 0.000 1.200 380 D CA -0.475 53.613 54.000 0.146 0.000 0.915 380 D CB 0.832 41.847 40.800 0.357 0.000 1.170 380 D HN 0.550 nan 8.370 nan 0.000 0.444 381 W N 1.373 122.636 121.300 -0.062 0.000 1.616 381 W HA 0.056 4.729 4.660 0.022 0.000 0.633 381 W C 0.393 176.859 176.519 -0.088 0.000 1.453 381 W CA -0.682 56.598 57.345 -0.109 0.000 1.433 381 W CB -0.013 29.340 29.460 -0.179 0.000 3.330 381 W HN 0.234 nan 8.180 nan 0.000 0.781 382 N N 2.612 120.939 118.700 -0.621 0.000 2.294 382 N HA -0.119 4.635 4.740 0.023 0.000 0.263 382 N C 0.932 176.326 175.510 -0.192 0.000 1.281 382 N CA 0.511 53.183 53.050 -0.630 0.000 0.846 382 N CB 0.866 38.859 38.487 -0.824 0.000 1.061 382 N HN 0.341 nan 8.380 nan 0.000 0.478 383 L N 1.302 122.457 121.223 -0.114 0.000 2.079 383 L HA -0.135 4.219 4.340 0.023 0.000 0.210 383 L C 1.085 178.029 176.870 0.124 0.000 1.081 383 L CA 1.111 55.944 54.840 -0.012 0.000 0.752 383 L CB -0.131 41.904 42.059 -0.041 0.000 0.896 383 L HN 0.606 nan 8.230 nan 0.000 0.433 384 A N -1.088 121.749 122.820 0.027 0.000 2.572 384 A HA 0.772 5.106 4.320 0.023 0.000 0.295 384 A C -1.215 176.363 177.584 -0.010 0.000 1.072 384 A CA -0.453 51.607 52.037 0.038 0.000 0.691 384 A CB 1.690 20.709 19.000 0.031 0.000 1.291 384 A HN 0.001 nan 8.150 nan 0.000 0.404 385 L N 0.758 121.991 121.223 0.018 0.000 2.479 385 L HA 0.417 4.771 4.340 0.023 0.000 0.255 385 L C -0.419 176.478 176.870 0.045 0.000 1.026 385 L CA -1.166 53.695 54.840 0.036 0.000 0.842 385 L CB 2.510 44.595 42.059 0.043 0.000 1.444 385 L HN 1.028 nan 8.230 nan 0.000 0.409 386 N N 0.099 118.826 118.700 0.046 0.000 2.364 386 N HA 0.312 5.066 4.740 0.023 0.000 0.264 386 N C -2.368 173.140 175.510 -0.002 0.000 1.263 386 N CA -1.467 51.598 53.050 0.025 0.000 0.959 386 N CB -0.129 38.365 38.487 0.012 0.000 1.204 386 N HN 0.177 nan 8.380 nan 0.000 0.550 387 P HA -0.114 nan 4.420 nan 0.000 0.222 387 P C 0.744 177.982 177.300 -0.105 0.000 1.147 387 P CA 1.182 64.258 63.100 -0.040 0.000 0.790 387 P CB 0.133 31.826 31.700 -0.012 0.000 0.780 388 E N -0.541 119.555 120.200 -0.172 0.000 2.358 388 E HA 0.024 4.388 4.350 0.023 0.000 0.195 388 E C 0.858 177.208 176.600 -0.417 0.000 1.010 388 E CA 0.723 56.907 56.400 -0.359 0.000 0.856 388 E CB -0.409 28.967 29.700 -0.540 0.000 0.795 388 E HN 0.164 nan 8.360 nan 0.000 0.504 389 G N -0.402 108.295 108.800 -0.172 0.000 2.135 389 G HA2 -0.151 3.823 3.960 0.023 0.000 0.183 389 G HA3 -0.151 3.823 3.960 0.023 0.000 0.183 389 G C 0.146 175.230 174.900 0.307 0.000 1.004 389 G CA -0.039 45.097 45.100 0.059 0.000 0.677 389 G HN 0.603 nan 8.290 nan 0.000 0.512 390 G N -0.657 108.253 108.800 0.184 0.000 3.195 390 G HA2 0.873 4.847 3.960 0.023 0.000 0.217 390 G HA3 0.873 4.847 3.960 0.023 0.000 0.217 390 G C -2.893 172.124 174.900 0.194 0.000 1.166 390 G CA -0.274 45.020 45.100 0.324 0.000 0.812 390 G HN 0.252 nan 8.290 nan 0.000 0.617 391 P HA 0.194 nan 4.420 nan 0.000 0.274 391 P C -1.138 176.186 177.300 0.041 0.000 1.246 391 P CA -0.182 63.015 63.100 0.162 0.000 0.795 391 P CB 1.270 33.035 31.700 0.108 0.000 1.006 392 N N 1.405 120.083 118.700 -0.036 0.000 2.503 392 N HA 0.047 4.801 4.740 0.023 0.000 0.287 392 N C 0.674 175.986 175.510 -0.331 0.000 1.096 392 N CA -0.617 52.157 53.050 -0.461 0.000 0.936 392 N CB 0.909 38.776 38.487 -1.033 0.000 1.570 392 N HN 0.547 nan 8.380 nan 0.000 0.504 393 W N 3.791 124.902 121.300 -0.316 0.000 2.825 393 W HA 0.160 4.834 4.660 0.023 0.000 0.243 393 W C -0.568 175.833 176.519 -0.197 0.000 1.293 393 W CA 0.150 57.383 57.345 -0.186 0.000 1.403 393 W CB -0.445 28.943 29.460 -0.120 0.000 1.134 393 W HN 0.234 nan 8.180 nan 0.000 0.666 394 V N 1.977 121.312 119.914 -0.965 0.000 3.427 394 V HA 0.183 4.317 4.120 0.023 0.000 0.305 394 V C 1.132 176.820 176.094 -0.677 0.000 1.412 394 V CA -0.128 61.622 62.300 -0.917 0.000 1.086 394 V CB -0.780 30.388 31.823 -1.092 0.000 0.964 394 V HN 0.115 nan 8.190 nan 0.000 0.439 395 R N 0.562 120.583 120.500 -0.798 0.000 3.770 395 R HA -0.199 4.154 4.340 0.023 0.000 0.305 395 R C 0.617 176.145 176.300 -1.285 0.000 1.184 395 R CA 0.820 56.181 56.100 -1.233 0.000 0.823 395 R CB -1.791 28.167 30.300 -0.570 0.000 1.285 395 R HN 0.465 nan 8.270 nan 0.000 0.499 396 N N 1.191 119.290 118.700 -1.001 0.000 2.623 396 N HA 0.075 4.829 4.740 0.023 0.000 0.263 396 N C -0.296 175.015 175.510 -0.333 0.000 1.218 396 N CA -0.139 52.583 53.050 -0.545 0.000 0.949 396 N CB -0.139 38.083 38.487 -0.442 0.000 1.270 396 N HN 0.164 nan 8.380 nan 0.000 0.507 397 F N -0.333 119.580 119.950 -0.061 0.000 2.626 397 F HA 0.027 4.567 4.527 0.023 0.000 0.354 397 F C 1.362 177.269 175.800 0.179 0.000 1.168 397 F CA -0.079 57.960 58.000 0.066 0.000 1.368 397 F CB 0.236 39.248 39.000 0.021 0.000 1.092 397 F HN -0.080 nan 8.300 nan 0.000 0.612 398 V N -2.084 118.100 119.914 0.450 0.000 3.156 398 V HA 0.505 4.639 4.120 0.023 0.000 0.306 398 V C -1.240 174.952 176.094 0.163 0.000 1.468 398 V CA -1.130 61.326 62.300 0.260 0.000 1.047 398 V CB 1.646 33.620 31.823 0.252 0.000 1.078 398 V HN 0.563 nan 8.190 nan 0.000 0.468 399 D N 0.411 120.868 120.400 0.094 0.000 2.294 399 D HA 0.724 5.378 4.640 0.023 0.000 0.250 399 D C -0.540 175.788 176.300 0.047 0.000 1.058 399 D CA 0.385 54.413 54.000 0.046 0.000 0.950 399 D CB 1.953 42.760 40.800 0.013 0.000 1.158 399 D HN 0.954 nan 8.370 nan 0.000 0.453 400 S N 0.484 116.200 115.700 0.025 0.000 2.595 400 S HA 0.519 5.003 4.470 0.023 0.000 0.281 400 S C -2.289 172.336 174.600 0.043 0.000 1.117 400 S CA -1.371 56.852 58.200 0.039 0.000 0.873 400 S CB 1.802 65.008 63.200 0.010 0.000 1.108 400 S HN 0.091 nan 8.310 nan 0.000 0.477 401 P HA 0.250 nan 4.420 nan 0.000 0.226 401 P C -0.427 176.947 177.300 0.123 0.000 1.153 401 P CA 0.863 64.023 63.100 0.101 0.000 0.777 401 P CB 0.033 31.865 31.700 0.220 0.000 0.794 402 I N -0.050 120.597 120.570 0.128 0.000 2.478 402 I HA 0.250 4.434 4.170 0.023 0.000 0.287 402 I C -0.607 175.564 176.117 0.091 0.000 1.042 402 I CA -0.934 60.412 61.300 0.077 0.000 1.067 402 I CB 2.268 40.269 38.000 0.002 0.000 1.233 402 I HN -0.300 nan 8.210 nan 0.000 0.431 403 I N 6.919 127.568 120.570 0.131 0.000 2.354 403 I HA 0.348 4.532 4.170 0.023 0.000 0.292 403 I C 0.051 176.254 176.117 0.143 0.000 0.989 403 I CA -0.750 60.629 61.300 0.132 0.000 1.188 403 I CB 1.819 39.913 38.000 0.156 0.000 1.342 403 I HN 0.127 nan 8.210 nan 0.000 0.457 404 V N 5.597 125.562 119.914 0.086 0.000 2.407 404 V HA 0.236 4.370 4.120 0.023 0.000 0.278 404 V C 0.004 176.131 176.094 0.054 0.000 1.037 404 V CA -0.446 61.890 62.300 0.059 0.000 0.900 404 V CB 1.739 33.579 31.823 0.027 0.000 0.983 404 V HN 0.610 nan 8.190 nan 0.000 0.459 405 D N 4.342 124.750 120.400 0.014 0.000 2.477 405 D HA 0.351 5.005 4.640 0.023 0.000 0.239 405 D C 0.946 177.264 176.300 0.030 0.000 1.102 405 D CA -0.279 53.750 54.000 0.049 0.000 0.901 405 D CB 1.015 41.881 40.800 0.110 0.000 1.026 405 D HN 0.431 nan 8.370 nan 0.000 0.515 406 I N 1.395 121.986 120.570 0.035 0.000 2.264 406 I HA -0.271 3.913 4.170 0.023 0.000 0.248 406 I C 2.474 178.608 176.117 0.028 0.000 1.111 406 I CA 1.529 62.846 61.300 0.029 0.000 1.382 406 I CB -0.131 37.885 38.000 0.027 0.000 1.060 406 I HN 0.431 nan 8.210 nan 0.000 0.418 407 T N -1.493 113.082 114.554 0.035 0.000 3.007 407 T HA -0.102 4.262 4.350 0.023 0.000 0.270 407 T C 1.355 176.075 174.700 0.032 0.000 1.107 407 T CA 0.861 62.981 62.100 0.034 0.000 1.118 407 T CB -0.179 68.712 68.868 0.038 0.000 0.889 407 T HN 0.391 nan 8.240 nan 0.000 0.506 408 K N 0.665 121.085 120.400 0.033 0.000 2.438 408 K HA 0.204 4.538 4.320 0.023 0.000 0.205 408 K C 0.027 176.629 176.600 0.004 0.000 1.033 408 K CA 0.080 56.381 56.287 0.025 0.000 1.089 408 K CB 0.347 32.873 32.500 0.043 0.000 0.857 408 K HN 0.148 nan 8.250 nan 0.000 0.522 409 D N 2.111 122.517 120.400 0.010 0.000 2.692 409 D HA -0.150 4.504 4.640 0.023 0.000 0.233 409 D C -1.102 175.195 176.300 -0.006 0.000 1.172 409 D CA 1.092 55.101 54.000 0.015 0.000 0.636 409 D CB -0.723 40.088 40.800 0.019 0.000 1.028 409 D HN 0.168 nan 8.370 nan 0.000 0.419 410 T N 0.299 114.819 114.554 -0.057 0.000 2.907 410 T HA 0.706 5.070 4.350 0.023 0.000 0.292 410 T C -0.242 174.329 174.700 -0.215 0.000 1.043 410 T CA -0.674 61.302 62.100 -0.207 0.000 1.003 410 T CB 1.157 69.847 68.868 -0.297 0.000 1.084 410 T HN 0.199 nan 8.240 nan 0.000 0.483 411 F N -0.162 119.529 119.950 -0.431 0.000 2.603 411 F HA 0.825 5.366 4.527 0.023 0.000 0.317 411 F C -1.793 173.673 175.800 -0.556 0.000 1.066 411 F CA -1.615 56.107 58.000 -0.464 0.000 0.941 411 F CB 1.132 39.998 39.000 -0.222 0.000 1.291 411 F HN 0.467 nan 8.300 nan 0.000 0.472 412 Y N 0.834 121.192 120.300 0.096 0.000 2.364 412 Y HA 0.479 5.042 4.550 0.023 0.000 0.340 412 Y C -0.449 175.454 175.900 0.006 0.000 0.975 412 Y CA -1.178 56.918 58.100 -0.007 0.000 1.089 412 Y CB 2.041 40.480 38.460 -0.035 0.000 1.192 412 Y HN 0.411 nan 8.280 nan 0.000 0.454 413 K N 4.431 124.886 120.400 0.091 0.000 2.267 413 K HA 0.239 4.573 4.320 0.023 0.000 0.282 413 K C -0.392 176.305 176.600 0.162 0.000 1.078 413 K CA -0.619 55.627 56.287 -0.068 0.000 0.903 413 K CB 0.925 33.128 32.500 -0.495 0.000 1.111 413 K HN 0.636 nan 8.250 nan 0.000 0.475 414 Q N 2.336 122.224 119.800 0.147 0.000 2.382 414 Q HA 0.055 4.409 4.340 0.023 0.000 0.229 414 Q C -1.713 174.495 176.000 0.347 0.000 1.006 414 Q CA -1.649 54.267 55.803 0.189 0.000 0.916 414 Q CB 0.212 28.991 28.738 0.069 0.000 1.235 414 Q HN 0.251 nan 8.270 nan 0.000 0.512 415 P HA -0.239 nan 4.420 nan 0.000 0.217 415 P C 1.351 178.826 177.300 0.290 0.000 1.158 415 P CA 1.800 65.147 63.100 0.411 0.000 0.887 415 P CB 0.020 31.860 31.700 0.233 0.000 0.792 416 M N -2.782 116.812 119.600 -0.009 0.000 2.103 416 M HA -0.255 4.239 4.480 0.023 0.000 0.255 416 M C 2.045 178.319 176.300 -0.042 0.000 1.074 416 M CA 2.027 57.184 55.300 -0.239 0.000 1.090 416 M CB -1.033 31.229 32.600 -0.563 0.000 1.325 416 M HN -0.072 nan 8.290 nan 0.000 0.403 417 F N 0.252 120.138 119.950 -0.106 0.000 2.043 417 F HA -0.314 4.226 4.527 0.021 0.000 0.297 417 F C 1.995 177.693 175.800 -0.170 0.000 1.121 417 F CA 1.880 59.762 58.000 -0.196 0.000 1.199 417 F CB -0.662 38.085 39.000 -0.422 0.000 0.968 417 F HN 0.024 nan 8.300 nan 0.000 0.478 418 Y N -0.303 120.225 120.300 0.381 0.000 2.224 418 Y HA -0.248 4.317 4.550 0.026 0.000 0.289 418 Y C 2.796 178.843 175.900 0.246 0.000 1.146 418 Y CA 1.877 60.163 58.100 0.310 0.000 1.182 418 Y CB -1.055 37.657 38.460 0.420 0.000 0.983 418 Y HN 0.245 nan 8.280 nan 0.000 0.524 419 H N -0.571 118.634 119.070 0.224 0.000 2.353 419 H HA -0.144 4.426 4.556 0.023 0.000 0.300 419 H C 2.287 177.755 175.328 0.233 0.000 1.090 419 H CA 1.688 57.825 56.048 0.148 0.000 1.327 419 H CB -0.282 29.471 29.762 -0.013 0.000 1.383 419 H HN 0.340 nan 8.280 nan 0.000 0.508 420 L N -0.059 121.300 121.223 0.227 0.000 2.017 420 L HA -0.122 4.231 4.340 0.023 0.000 0.208 420 L C 2.924 179.819 176.870 0.043 0.000 1.073 420 L CA 1.281 56.219 54.840 0.165 0.000 0.745 420 L CB -0.690 41.460 42.059 0.152 0.000 0.894 420 L HN 0.293 nan 8.230 nan 0.000 0.432 421 G N -1.507 107.199 108.800 -0.158 0.000 2.505 421 G HA2 -0.304 3.670 3.960 0.023 0.000 0.220 421 G HA3 -0.304 3.670 3.960 0.023 0.000 0.220 421 G C 1.364 176.119 174.900 -0.242 0.000 1.145 421 G CA 0.837 45.756 45.100 -0.303 0.000 0.761 421 G HN 0.486 nan 8.290 nan 0.000 0.571 422 H N -0.840 118.158 119.070 -0.120 0.000 2.541 422 H HA -0.032 4.537 4.556 0.021 0.000 0.289 422 H C 1.866 176.966 175.328 -0.379 0.000 1.054 422 H CA 1.178 57.128 56.048 -0.163 0.000 1.250 422 H CB 0.046 29.641 29.762 -0.279 0.000 1.369 422 H HN 0.508 nan 8.280 nan 0.000 0.578 423 F N -0.366 119.473 119.950 -0.186 0.000 2.480 423 F HA -0.051 4.491 4.527 0.026 0.000 0.280 423 F C 2.796 178.186 175.800 -0.684 0.000 1.002 423 F CA 0.579 58.318 58.000 -0.434 0.000 1.325 423 F CB -0.490 38.086 39.000 -0.708 0.000 1.134 423 F HN 0.002 nan 8.300 nan 0.000 0.646 424 S N 0.670 116.015 115.700 -0.593 0.000 2.368 424 S HA -0.252 4.232 4.470 0.023 0.000 0.225 424 S C 1.980 176.370 174.600 -0.350 0.000 1.030 424 S CA 1.458 59.362 58.200 -0.493 0.000 0.999 424 S CB -0.697 62.434 63.200 -0.115 0.000 0.844 424 S HN 0.368 nan 8.310 nan 0.000 0.459 425 K N 0.447 120.484 120.400 -0.604 0.000 2.280 425 K HA 0.025 4.359 4.320 0.023 0.000 0.202 425 K C 0.306 176.347 176.600 -0.932 0.000 1.047 425 K CA 1.102 56.830 56.287 -0.933 0.000 0.942 425 K CB -0.161 31.386 32.500 -1.588 0.000 0.739 425 K HN 0.579 nan 8.250 nan 0.000 0.457 426 F N -0.146 119.669 119.950 -0.225 0.000 2.772 426 F HA 0.339 4.881 4.527 0.026 0.000 0.316 426 F C -0.213 175.555 175.800 -0.053 0.000 1.114 426 F CA -0.685 57.223 58.000 -0.153 0.000 1.191 426 F CB 0.935 39.811 39.000 -0.207 0.000 1.065 426 F HN -0.187 nan 8.300 nan 0.000 0.534 427 I N 2.985 123.603 120.570 0.079 0.000 2.714 427 I HA 0.243 4.427 4.170 0.023 0.000 0.276 427 I C -2.540 173.639 176.117 0.103 0.000 1.196 427 I CA -1.876 59.497 61.300 0.122 0.000 1.068 427 I CB 1.005 39.141 38.000 0.225 0.000 1.291 427 I HN -0.208 nan 8.210 nan 0.000 0.530 428 P HA 0.045 nan 4.420 nan 0.000 0.272 428 P C -0.108 177.164 177.300 -0.047 0.000 1.240 428 P CA -0.193 62.876 63.100 -0.051 0.000 0.791 428 P CB 0.726 32.328 31.700 -0.164 0.000 0.978 429 E N 0.139 120.319 120.200 -0.033 0.000 2.608 429 E HA 0.129 4.493 4.350 0.023 0.000 0.259 429 E C 1.042 177.606 176.600 -0.060 0.000 0.951 429 E CA 1.090 57.461 56.400 -0.048 0.000 0.945 429 E CB -0.727 28.932 29.700 -0.069 0.000 0.916 429 E HN 0.777 nan 8.360 nan 0.000 0.477 430 G N 2.997 111.776 108.800 -0.034 0.000 2.254 430 G HA2 -0.271 3.703 3.960 0.023 0.000 0.225 430 G HA3 -0.271 3.703 3.960 0.023 0.000 0.225 430 G C 0.276 175.162 174.900 -0.024 0.000 1.003 430 G CA 0.065 45.150 45.100 -0.026 0.000 0.622 430 G HN 0.643 nan 8.290 nan 0.000 0.507 431 S N 0.420 116.094 115.700 -0.044 0.000 2.559 431 S HA 0.401 4.885 4.470 0.023 0.000 0.282 431 S C 0.209 174.833 174.600 0.040 0.000 1.336 431 S CA 0.791 58.983 58.200 -0.014 0.000 1.037 431 S CB 1.398 64.604 63.200 0.009 0.000 0.853 431 S HN 0.734 nan 8.310 nan 0.000 0.523 432 Q N 1.677 121.511 119.800 0.057 0.000 2.321 432 Q HA 0.319 4.673 4.340 0.023 0.000 0.270 432 Q C -0.601 175.464 176.000 0.107 0.000 1.032 432 Q CA -0.813 55.040 55.803 0.083 0.000 0.784 432 Q CB 0.950 29.731 28.738 0.072 0.000 1.264 432 Q HN 0.492 nan 8.270 nan 0.000 0.448 433 R N 2.534 123.119 120.500 0.141 0.000 2.537 433 R HA 0.280 4.634 4.340 0.023 0.000 0.280 433 R C -0.471 175.998 176.300 0.283 0.000 1.058 433 R CA 0.402 56.600 56.100 0.163 0.000 1.057 433 R CB 0.510 30.881 30.300 0.118 0.000 0.973 433 R HN 0.570 nan 8.270 nan 0.000 0.438 434 V N 0.338 120.409 119.914 0.261 0.000 3.105 434 V HA 0.773 4.906 4.120 0.023 0.000 0.311 434 V C 0.127 176.422 176.094 0.335 0.000 1.287 434 V CA -0.773 61.724 62.300 0.328 0.000 1.066 434 V CB 1.345 33.258 31.823 0.149 0.000 1.105 434 V HN 0.762 nan 8.190 nan 0.000 0.462 435 G N 0.064 109.064 108.800 0.333 0.000 2.467 435 G HA2 0.570 4.544 3.960 0.023 0.000 0.257 435 G HA3 0.570 4.544 3.960 0.023 0.000 0.257 435 G C -1.169 173.804 174.900 0.121 0.000 1.227 435 G CA -0.218 45.042 45.100 0.267 0.000 0.835 435 G HN 1.204 nan 8.290 nan 0.000 0.556 436 L N 3.029 124.291 121.223 0.066 0.000 2.568 436 L HA 0.457 4.811 4.340 0.023 0.000 0.262 436 L C -0.187 176.696 176.870 0.021 0.000 0.980 436 L CA -0.890 53.975 54.840 0.041 0.000 0.882 436 L CB 1.676 43.753 42.059 0.030 0.000 1.198 436 L HN 0.576 nan 8.230 nan 0.000 0.425 437 V N 2.075 122.005 119.914 0.028 0.000 2.532 437 V HA 1.017 5.151 4.120 0.023 0.000 0.295 437 V C 0.350 176.453 176.094 0.016 0.000 1.041 437 V CA -0.258 62.054 62.300 0.021 0.000 0.926 437 V CB 1.313 33.155 31.823 0.031 0.000 0.992 437 V HN 0.929 nan 8.190 nan 0.000 0.457 438 A N 3.108 125.936 122.820 0.014 0.000 2.306 438 A HA 0.650 4.983 4.320 0.023 0.000 0.314 438 A C 1.067 178.663 177.584 0.020 0.000 1.164 438 A CA 0.020 52.065 52.037 0.013 0.000 0.822 438 A CB 1.371 20.377 19.000 0.010 0.000 1.130 438 A HN 1.793 nan 8.150 nan 0.000 0.496 439 S N 0.723 116.437 115.700 0.023 0.000 2.607 439 S HA 0.225 4.708 4.470 0.023 0.000 0.224 439 S C 0.280 174.896 174.600 0.026 0.000 0.969 439 S CA 0.615 58.834 58.200 0.031 0.000 0.927 439 S CB -0.720 62.505 63.200 0.043 0.000 0.772 439 S HN 1.038 nan 8.310 nan 0.000 0.533 440 Q N -2.171 117.641 119.800 0.021 0.000 2.805 440 Q HA 0.483 4.836 4.340 0.023 0.000 0.257 440 Q C -0.944 175.065 176.000 0.016 0.000 0.977 440 Q CA -0.842 54.972 55.803 0.018 0.000 0.901 440 Q CB 0.110 28.859 28.738 0.018 0.000 1.778 440 Q HN 0.104 nan 8.270 nan 0.000 0.441 441 K N 1.523 121.933 120.400 0.016 0.000 2.530 441 K HA 0.267 4.601 4.320 0.023 0.000 0.280 441 K C -0.352 176.255 176.600 0.012 0.000 1.004 441 K CA 1.277 57.573 56.287 0.015 0.000 1.071 441 K CB -0.956 31.554 32.500 0.017 0.000 0.876 441 K HN 0.841 nan 8.250 nan 0.000 0.487 442 N N -0.926 117.780 118.700 0.011 0.000 2.972 442 N HA 0.449 5.203 4.740 0.023 0.000 0.262 442 N C -0.732 174.782 175.510 0.006 0.000 1.478 442 N CA -0.695 52.359 53.050 0.006 0.000 0.841 442 N CB 1.490 39.980 38.487 0.004 0.000 1.512 442 N HN 0.251 nan 8.380 nan 0.000 0.548 443 D N -0.387 120.013 120.400 -0.001 0.000 2.369 443 D HA 0.202 4.856 4.640 0.023 0.000 0.211 443 D C 0.096 176.397 176.300 0.002 0.000 1.077 443 D CA 0.024 54.022 54.000 -0.003 0.000 0.842 443 D CB 0.211 41.001 40.800 -0.017 0.000 0.947 443 D HN 0.364 nan 8.370 nan 0.000 0.509 444 L N 1.129 122.356 121.223 0.006 0.000 2.467 444 L HA 0.125 4.479 4.340 0.023 0.000 0.270 444 L C 0.524 177.417 176.870 0.040 0.000 1.205 444 L CA 0.346 55.195 54.840 0.016 0.000 0.828 444 L CB 0.569 42.635 42.059 0.011 0.000 1.101 444 L HN -0.215 nan 8.230 nan 0.000 0.479 445 D N 1.434 121.873 120.400 0.064 0.000 2.278 445 D HA 0.643 5.296 4.640 0.023 0.000 0.245 445 D C -0.671 175.677 176.300 0.079 0.000 1.052 445 D CA -0.069 53.987 54.000 0.094 0.000 0.834 445 D CB 2.277 43.180 40.800 0.172 0.000 1.194 445 D HN 0.588 nan 8.370 nan 0.000 0.481 446 A N 1.543 124.399 122.820 0.060 0.000 2.547 446 A HA 0.607 4.941 4.320 0.023 0.000 0.297 446 A C -1.579 176.029 177.584 0.040 0.000 1.056 446 A CA -0.681 51.391 52.037 0.059 0.000 0.688 446 A CB 1.994 21.023 19.000 0.049 0.000 1.282 446 A HN 0.335 nan 8.150 nan 0.000 0.400 447 V N 0.722 120.672 119.914 0.059 0.000 2.841 447 V HA 0.876 5.010 4.120 0.023 0.000 0.310 447 V C -0.448 175.679 176.094 0.054 0.000 1.090 447 V CA 0.180 62.503 62.300 0.038 0.000 0.930 447 V CB 1.921 33.782 31.823 0.063 0.000 1.014 447 V HN 2.091 nan 8.190 nan 0.000 0.425 448 A N 6.192 129.037 122.820 0.041 0.000 2.355 448 A HA 0.988 5.322 4.320 0.023 0.000 0.317 448 A C -1.569 176.042 177.584 0.046 0.000 1.094 448 A CA -0.518 51.545 52.037 0.044 0.000 0.764 448 A CB 1.440 20.475 19.000 0.058 0.000 1.230 448 A HN 0.860 nan 8.150 nan 0.000 0.448 449 L N 0.923 122.158 121.223 0.021 0.000 2.409 449 L HA 0.643 4.997 4.340 0.023 0.000 0.255 449 L C -0.316 176.552 176.870 -0.004 0.000 1.027 449 L CA -0.225 54.639 54.840 0.040 0.000 0.834 449 L CB 2.048 44.150 42.059 0.071 0.000 1.426 449 L HN 0.743 nan 8.230 nan 0.000 0.411 450 M N 1.302 120.915 119.600 0.023 0.000 2.167 450 M HA 0.351 4.845 4.480 0.023 0.000 0.333 450 M C -0.578 175.763 176.300 0.068 0.000 1.030 450 M CA -0.685 54.624 55.300 0.015 0.000 0.963 450 M CB 1.141 33.752 32.600 0.019 0.000 1.589 450 M HN 0.570 nan 8.290 nan 0.000 0.431 451 H N 5.309 124.356 119.070 -0.039 0.000 2.871 451 H HA 0.101 4.671 4.556 0.023 0.000 0.355 451 H C -2.002 173.327 175.328 0.002 0.000 1.092 451 H CA -0.773 55.270 56.048 -0.009 0.000 1.420 451 H CB 0.987 30.735 29.762 -0.023 0.000 1.400 451 H HN 0.433 nan 8.280 nan 0.000 0.604 452 P HA -0.197 nan 4.420 nan 0.000 0.217 452 P C 0.975 178.427 177.300 0.252 0.000 1.151 452 P CA 2.050 65.221 63.100 0.117 0.000 0.849 452 P CB 0.071 31.768 31.700 -0.005 0.000 0.787 453 D N -1.775 118.931 120.400 0.510 0.000 2.310 453 D HA -0.033 4.621 4.640 0.023 0.000 0.212 453 D C 1.491 177.829 176.300 0.063 0.000 0.965 453 D CA 1.535 55.630 54.000 0.158 0.000 0.879 453 D CB -0.855 39.922 40.800 -0.039 0.000 0.921 453 D HN 0.300 nan 8.370 nan 0.000 0.510 454 G N -0.807 108.041 108.800 0.081 0.000 2.255 454 G HA2 -0.189 3.785 3.960 0.023 0.000 0.196 454 G HA3 -0.189 3.785 3.960 0.023 0.000 0.196 454 G C 0.400 175.288 174.900 -0.019 0.000 0.998 454 G CA 0.258 45.375 45.100 0.029 0.000 0.656 454 G HN 0.815 nan 8.290 nan 0.000 0.490 455 S N 0.070 115.728 115.700 -0.071 0.000 2.686 455 S HA 0.859 5.343 4.470 0.023 0.000 0.270 455 S C 0.290 174.744 174.600 -0.244 0.000 1.194 455 S CA 0.487 58.589 58.200 -0.163 0.000 0.990 455 S CB 2.059 65.144 63.200 -0.193 0.000 1.029 455 S HN 1.885 nan 8.310 nan 0.000 0.560 456 A N 0.425 122.922 122.820 -0.538 0.000 2.330 456 A HA 0.727 5.060 4.320 0.023 0.000 0.327 456 A C -0.812 176.371 177.584 -0.668 0.000 1.155 456 A CA -0.788 50.797 52.037 -0.753 0.000 0.803 456 A CB 1.032 19.180 19.000 -1.419 0.000 1.208 456 A HN 0.852 nan 8.150 nan 0.000 0.477 457 V N 2.186 121.873 119.914 -0.379 0.000 2.604 457 V HA 0.634 4.767 4.120 0.023 0.000 0.305 457 V C -0.636 175.374 176.094 -0.140 0.000 1.043 457 V CA -0.484 61.689 62.300 -0.212 0.000 0.888 457 V CB 1.728 33.521 31.823 -0.049 0.000 0.995 457 V HN 0.689 nan 8.190 nan 0.000 0.429 458 V N 4.713 124.613 119.914 -0.024 0.000 2.668 458 V HA 0.479 4.613 4.120 0.023 0.000 0.304 458 V C -0.549 175.619 176.094 0.123 0.000 1.071 458 V CA -0.563 61.788 62.300 0.086 0.000 0.894 458 V CB 2.266 34.207 31.823 0.196 0.000 1.008 458 V HN 0.610 nan 8.190 nan 0.000 0.425 459 V N 5.323 125.269 119.914 0.053 0.000 2.483 459 V HA 0.606 4.740 4.120 0.023 0.000 0.295 459 V C -0.332 175.805 176.094 0.072 0.000 1.035 459 V CA -0.560 61.733 62.300 -0.013 0.000 0.896 459 V CB 1.983 33.634 31.823 -0.286 0.000 0.986 459 V HN 0.601 nan 8.190 nan 0.000 0.447 460 V N 5.892 125.870 119.914 0.108 0.000 2.483 460 V HA 0.498 4.632 4.120 0.023 0.000 0.297 460 V C -0.589 175.529 176.094 0.040 0.000 1.027 460 V CA -0.537 61.825 62.300 0.104 0.000 0.855 460 V CB 1.636 33.568 31.823 0.181 0.000 0.995 460 V HN 0.688 nan 8.190 nan 0.000 0.424 461 L N 4.469 125.722 121.223 0.050 0.000 2.334 461 L HA 0.741 5.095 4.340 0.023 0.000 0.276 461 L C -0.516 176.386 176.870 0.052 0.000 1.014 461 L CA 0.009 54.885 54.840 0.059 0.000 0.815 461 L CB 1.879 44.013 42.059 0.126 0.000 1.268 461 L HN 0.620 nan 8.230 nan 0.000 0.428 462 N N 3.255 121.992 118.700 0.061 0.000 2.569 462 N HA 0.369 5.123 4.740 0.023 0.000 0.254 462 N C -0.276 175.289 175.510 0.092 0.000 1.004 462 N CA -0.413 52.658 53.050 0.035 0.000 0.904 462 N CB 0.904 39.376 38.487 -0.026 0.000 1.165 462 N HN 0.721 nan 8.380 nan 0.000 0.513 463 R N 0.599 121.138 120.500 0.065 0.000 2.359 463 R HA 0.131 4.484 4.340 0.023 0.000 0.231 463 R C 0.638 176.953 176.300 0.026 0.000 0.913 463 R CA -0.157 56.019 56.100 0.127 0.000 1.075 463 R CB 0.073 30.404 30.300 0.052 0.000 1.087 463 R HN 0.526 nan 8.270 nan 0.000 0.515 464 S N 0.090 115.711 115.700 -0.132 0.000 2.707 464 S HA 0.119 4.603 4.470 0.023 0.000 0.276 464 S C 1.221 175.417 174.600 -0.673 0.000 1.179 464 S CA -0.419 57.630 58.200 -0.252 0.000 0.992 464 S CB 1.755 64.867 63.200 -0.147 0.000 1.030 464 S HN 0.148 nan 8.310 nan 0.000 0.554 465 S N -0.653 114.691 115.700 -0.592 0.000 2.558 465 S HA 0.138 4.622 4.470 0.023 0.000 0.217 465 S C 0.371 174.787 174.600 -0.307 0.000 0.975 465 S CA -0.418 57.388 58.200 -0.657 0.000 0.912 465 S CB -0.358 62.697 63.200 -0.242 0.000 0.776 465 S HN 0.543 nan 8.310 nan 0.000 0.526 466 K N 2.521 122.793 120.400 -0.213 0.000 2.172 466 K HA 0.342 4.676 4.320 0.023 0.000 0.276 466 K C -0.866 175.671 176.600 -0.104 0.000 1.013 466 K CA -0.719 55.498 56.287 -0.117 0.000 0.913 466 K CB 0.605 33.059 32.500 -0.077 0.000 1.055 466 K HN 0.373 nan 8.250 nan 0.000 0.461 467 D N 1.058 121.419 120.400 -0.066 0.000 2.488 467 D HA 0.064 4.718 4.640 0.023 0.000 0.238 467 D C -0.374 175.905 176.300 -0.035 0.000 1.138 467 D CA 0.250 54.225 54.000 -0.042 0.000 0.873 467 D CB 0.591 41.382 40.800 -0.016 0.000 1.183 467 D HN 0.128 nan 8.370 nan 0.000 0.458 468 V N 5.264 125.160 119.914 -0.031 0.000 2.349 468 V HA 0.286 4.420 4.120 0.023 0.000 0.284 468 V C -2.201 173.888 176.094 -0.009 0.000 1.014 468 V CA -1.676 60.611 62.300 -0.022 0.000 0.826 468 V CB 1.668 33.474 31.823 -0.029 0.000 1.009 468 V HN 0.433 nan 8.190 nan 0.000 0.431 469 P HA 0.506 nan 4.420 nan 0.000 0.275 469 P C -0.787 176.508 177.300 -0.008 0.000 1.227 469 P CA -0.135 62.967 63.100 0.004 0.000 0.781 469 P CB 0.965 32.671 31.700 0.009 0.000 0.906 470 L N -0.979 120.228 121.223 -0.025 0.000 2.838 470 L HA 0.777 5.131 4.340 0.023 0.000 0.266 470 L C -1.491 175.306 176.870 -0.122 0.000 1.040 470 L CA -0.680 54.126 54.840 -0.057 0.000 0.906 470 L CB 1.905 43.928 42.059 -0.060 0.000 1.501 470 L HN 0.130 nan 8.230 nan 0.000 0.407 471 T N 1.573 116.029 114.554 -0.164 0.000 2.876 471 T HA 0.696 5.060 4.350 0.023 0.000 0.289 471 T C -0.566 173.993 174.700 -0.234 0.000 1.014 471 T CA -0.289 61.657 62.100 -0.257 0.000 0.986 471 T CB 1.759 70.343 68.868 -0.475 0.000 1.021 471 T HN 0.509 nan 8.240 nan 0.000 0.458 472 I N 2.366 122.755 120.570 -0.302 0.000 2.362 472 I HA 0.413 4.597 4.170 0.023 0.000 0.289 472 I C 0.114 176.023 176.117 -0.347 0.000 0.994 472 I CA -0.810 60.315 61.300 -0.293 0.000 1.158 472 I CB 1.646 39.428 38.000 -0.364 0.000 1.315 472 I HN 0.328 nan 8.210 nan 0.000 0.451 473 K N 5.010 125.233 120.400 -0.295 0.000 2.227 473 K HA 0.242 4.576 4.320 0.023 0.000 0.280 473 K C -1.068 175.317 176.600 -0.359 0.000 1.041 473 K CA -0.403 55.571 56.287 -0.523 0.000 0.905 473 K CB 0.937 33.169 32.500 -0.447 0.000 1.068 473 K HN 0.478 nan 8.250 nan 0.000 0.470 474 D N 5.718 125.869 120.400 -0.415 0.000 2.505 474 D HA 0.267 4.921 4.640 0.023 0.000 0.250 474 D C -2.107 174.076 176.300 -0.194 0.000 1.164 474 D CA -2.459 51.443 54.000 -0.164 0.000 0.870 474 D CB 2.033 42.854 40.800 0.034 0.000 1.160 474 D HN 0.231 nan 8.370 nan 0.000 0.549 475 P HA -0.046 nan 4.420 nan 0.000 0.221 475 P C 0.971 178.234 177.300 -0.061 0.000 1.145 475 P CA 1.007 64.039 63.100 -0.112 0.000 0.795 475 P CB 0.300 31.968 31.700 -0.054 0.000 0.775 476 A N -0.779 122.034 122.820 -0.012 0.000 2.015 476 A HA -0.082 4.252 4.320 0.023 0.000 0.219 476 A C 1.994 179.583 177.584 0.010 0.000 1.163 476 A CA 2.188 54.238 52.037 0.021 0.000 0.646 476 A CB -1.071 17.971 19.000 0.070 0.000 0.806 476 A HN 0.232 nan 8.150 nan 0.000 0.448 477 V N -6.190 113.705 119.914 -0.033 0.000 3.350 477 V HA 0.644 4.778 4.120 0.023 0.000 0.246 477 V C 1.043 177.075 176.094 -0.103 0.000 1.363 477 V CA 0.902 63.175 62.300 -0.045 0.000 1.162 477 V CB -0.309 31.496 31.823 -0.029 0.000 0.947 477 V HN 1.433 nan 8.190 nan 0.000 0.454 478 G N 0.520 109.188 108.800 -0.221 0.000 2.233 478 G HA2 0.185 4.158 3.960 0.023 0.000 0.162 478 G HA3 0.185 4.158 3.960 0.023 0.000 0.162 478 G C -1.536 173.059 174.900 -0.508 0.000 1.327 478 G CA -0.209 44.756 45.100 -0.225 0.000 1.187 478 G HN 0.375 nan 8.290 nan 0.000 0.479 479 F N 0.060 119.885 119.950 -0.209 0.000 2.539 479 F HA 0.694 5.234 4.527 0.022 0.000 0.318 479 F C -0.251 175.357 175.800 -0.321 0.000 1.135 479 F CA -0.579 57.255 58.000 -0.276 0.000 0.915 479 F CB 2.197 41.074 39.000 -0.205 0.000 1.176 479 F HN 0.301 nan 8.300 nan 0.000 0.440 480 L N 4.551 125.582 121.223 -0.321 0.000 2.261 480 L HA 0.304 4.658 4.340 0.023 0.000 0.289 480 L C -0.043 176.632 176.870 -0.324 0.000 1.059 480 L CA -0.224 54.351 54.840 -0.441 0.000 0.816 480 L CB 0.395 41.946 42.059 -0.847 0.000 1.191 480 L HN 0.421 nan 8.230 nan 0.000 0.431 481 E N 2.427 122.530 120.200 -0.161 0.000 2.229 481 E HA 0.394 4.757 4.350 0.023 0.000 0.283 481 E C -0.064 176.475 176.600 -0.102 0.000 1.030 481 E CA -0.089 56.247 56.400 -0.107 0.000 0.836 481 E CB 1.795 31.491 29.700 -0.007 0.000 1.068 481 E HN 0.470 nan 8.360 nan 0.000 0.401 482 T N 1.988 116.473 114.554 -0.114 0.000 2.754 482 T HA 0.552 4.916 4.350 0.023 0.000 0.296 482 T C -1.588 173.130 174.700 0.031 0.000 1.205 482 T CA -0.711 61.375 62.100 -0.023 0.000 1.009 482 T CB 1.435 70.236 68.868 -0.111 0.000 1.368 482 T HN 0.409 nan 8.240 nan 0.000 0.509 483 I N 1.555 122.197 120.570 0.120 0.000 2.769 483 I HA 0.689 4.872 4.170 0.023 0.000 0.298 483 I C -1.168 175.038 176.117 0.148 0.000 1.128 483 I CA -0.481 60.877 61.300 0.097 0.000 1.031 483 I CB 2.135 40.173 38.000 0.064 0.000 1.235 483 I HN 0.643 nan 8.210 nan 0.000 0.423 484 S N 8.309 124.033 115.700 0.041 0.000 2.434 484 S HA 0.598 5.082 4.470 0.023 0.000 0.318 484 S C -2.561 171.997 174.600 -0.071 0.000 1.062 484 S CA -1.394 56.758 58.200 -0.080 0.000 1.116 484 S CB 0.309 63.450 63.200 -0.098 0.000 0.977 484 S HN 0.481 nan 8.310 nan 0.000 0.480 485 P HA 0.150 nan 4.420 nan 0.000 0.265 485 P C 0.448 177.720 177.300 -0.046 0.000 1.193 485 P CA 0.084 63.174 63.100 -0.017 0.000 0.765 485 P CB 0.287 32.008 31.700 0.035 0.000 0.823 486 G N 2.618 111.374 108.800 -0.074 0.000 2.368 486 G HA2 -0.037 3.937 3.960 0.023 0.000 0.233 486 G HA3 -0.037 3.937 3.960 0.023 0.000 0.233 486 G C -0.583 174.291 174.900 -0.042 0.000 1.267 486 G CA -0.086 44.908 45.100 -0.177 0.000 0.873 486 G HN 0.617 nan 8.290 nan 0.000 0.539 487 Y N -0.329 120.029 120.300 0.096 0.000 3.038 487 Y HA -0.209 4.355 4.550 0.023 0.000 0.176 487 Y C 1.037 177.070 175.900 0.221 0.000 1.628 487 Y CA 0.566 58.792 58.100 0.209 0.000 1.020 487 Y CB -1.688 36.778 38.460 0.010 0.000 1.423 487 Y HN 1.124 nan 8.280 nan 0.000 0.418 488 S N 0.208 116.159 115.700 0.418 0.000 2.588 488 S HA 0.864 5.348 4.470 0.023 0.000 0.269 488 S C -1.081 173.630 174.600 0.185 0.000 1.157 488 S CA -0.701 57.688 58.200 0.315 0.000 0.824 488 S CB 2.941 66.188 63.200 0.078 0.000 1.126 488 S HN 0.606 nan 8.310 nan 0.000 0.464 489 I N 0.899 121.505 120.570 0.060 0.000 2.656 489 I HA 0.571 4.755 4.170 0.023 0.000 0.292 489 I C -1.703 174.361 176.117 -0.088 0.000 1.144 489 I CA -0.498 60.706 61.300 -0.160 0.000 1.038 489 I CB 1.846 39.583 38.000 -0.439 0.000 1.244 489 I HN 0.969 nan 8.210 nan 0.000 0.420 490 H N 4.294 123.289 119.070 -0.126 0.000 2.637 490 H HA 0.455 5.018 4.556 0.011 0.000 0.363 490 H C -1.052 174.241 175.328 -0.058 0.000 1.131 490 H CA -0.956 55.043 56.048 -0.082 0.000 1.183 490 H CB 2.361 32.020 29.762 -0.172 0.000 1.637 490 H HN 0.441 nan 8.280 nan 0.000 0.531 491 T N 3.025 117.617 114.554 0.063 0.000 2.779 491 T HA 0.252 4.616 4.350 0.023 0.000 0.280 491 T C -0.928 173.619 174.700 -0.256 0.000 0.987 491 T CA -0.573 61.474 62.100 -0.088 0.000 0.966 491 T CB 0.430 69.184 68.868 -0.189 0.000 0.933 491 T HN 0.306 nan 8.240 nan 0.000 0.442 492 Y N 2.563 122.876 120.300 0.021 0.000 2.341 492 Y HA 0.617 5.175 4.550 0.013 0.000 0.337 492 Y C -0.150 175.792 175.900 0.069 0.000 1.014 492 Y CA -1.060 57.104 58.100 0.105 0.000 1.111 492 Y CB 1.072 39.643 38.460 0.185 0.000 1.194 492 Y HN 0.409 nan 8.280 nan 0.000 0.462 493 L N 3.826 125.197 121.223 0.246 0.000 2.365 493 L HA 0.625 4.979 4.340 0.023 0.000 0.273 493 L C -1.276 175.803 176.870 0.349 0.000 1.000 493 L CA -0.701 54.195 54.840 0.093 0.000 0.819 493 L CB 1.477 43.528 42.059 -0.014 0.000 1.284 493 L HN 0.740 nan 8.230 nan 0.000 0.418 494 W N 1.594 122.949 121.300 0.092 0.000 3.372 494 W HA 0.670 5.345 4.660 0.024 0.000 0.315 494 W C -1.063 175.482 176.519 0.044 0.000 1.223 494 W CA -1.065 56.335 57.345 0.091 0.000 1.202 494 W CB 0.861 30.395 29.460 0.123 0.000 1.367 494 W HN 0.436 nan 8.180 nan 0.000 0.531 495 R N 2.370 123.010 120.500 0.233 0.000 2.679 495 R HA 0.419 4.773 4.340 0.023 0.000 0.269 495 R C 0.676 177.117 176.300 0.234 0.000 1.076 495 R CA -0.159 56.012 56.100 0.119 0.000 1.160 495 R CB 0.766 31.121 30.300 0.093 0.000 1.054 495 R HN 0.906 nan 8.270 nan 0.000 0.507 496 R N 0.807 121.382 120.500 0.126 0.000 2.469 496 R HA 0.073 4.426 4.340 0.023 0.000 0.250 496 R C -0.393 175.965 176.300 0.097 0.000 0.909 496 R CA -0.044 56.148 56.100 0.153 0.000 1.050 496 R CB 0.871 31.233 30.300 0.104 0.000 1.256 496 R HN 0.729 nan 8.270 nan 0.000 0.550 497 Q N 0.000 119.841 119.800 0.068 0.000 2.315 497 Q HA 0.000 4.354 4.340 0.023 0.000 0.214 497 Q CA 0.000 55.832 55.803 0.049 0.000 1.022 497 Q CB 0.000 28.762 28.738 0.040 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481