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 2nt0_1_C DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT FPALGTFSRY ESTRSGRRME DATA SEQUENCE LSMGPIQANH TGTGLLLTLQ PEQKFQKVKG FGGAMTDAAA LNILALSPPA DATA SEQUENCE QNLLLKSYFS EEGIGYNIIR VPMASCDFSI RTYTYADTPD DFQLHNFSLP DATA SEQUENCE EEDTKLKIPL IHRALQLAQR PVSLLASPWT SPTWLKTNGA VNGKGSLKGQ DATA SEQUENCE PGDIYHQTWA RYFVKFLDAY AEHKLQFWAV TAENEPSAGL LSGYPFQCLG DATA SEQUENCE FTPEHQRDFI ARDLGPTLAN STHHNVRLLM LDDQRLLLPH WAKVVLTDPE DATA SEQUENCE AAKYVHGIAV HWYLDFLAPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITN LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWHRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.550 177.584 -0.057 0.000 1.274 1 A CA 0.000 52.028 52.037 -0.016 0.000 0.836 1 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 2 R N 1.078 121.511 120.500 -0.113 0.000 2.532 2 R HA 0.543 4.883 4.340 0.000 0.000 0.297 2 R C -3.068 173.186 176.300 -0.076 0.000 0.984 2 R CA -1.812 54.215 56.100 -0.122 0.000 0.884 2 R CB 2.471 32.554 30.300 -0.361 0.000 1.182 2 R HN 0.226 nan 8.270 nan 0.000 0.442 3 P HA 0.010 nan 4.420 nan 0.000 0.274 3 P C -0.041 177.316 177.300 0.095 0.000 1.237 3 P CA -0.548 62.572 63.100 0.033 0.000 0.793 3 P CB 0.786 32.510 31.700 0.040 0.000 0.977 4 c N 3.283 121.894 118.600 0.018 0.000 2.634 4 c HA 0.164 4.734 4.570 0.000 0.000 0.418 4 c C 0.733 174.832 174.090 0.015 0.000 1.373 4 c CA -0.248 56.094 56.329 0.022 0.000 1.756 4 c CB -2.193 40.280 42.510 -0.062 0.000 2.589 4 c HN 0.336 nan 8.230 nan 0.000 0.602 5 I N 9.684 130.258 120.570 0.006 0.000 2.291 5 I HA 0.279 4.449 4.170 0.000 0.000 0.292 5 I C -1.675 174.421 176.117 -0.035 0.000 1.064 5 I CA -1.295 59.958 61.300 -0.079 0.000 1.269 5 I CB 0.737 38.609 38.000 -0.213 0.000 1.418 5 I HN 0.594 nan 8.210 nan 0.000 0.485 6 P HA 0.263 nan 4.420 nan 0.000 0.282 6 P C -1.087 176.193 177.300 -0.034 0.000 1.249 6 P CA -0.702 62.388 63.100 -0.016 0.000 0.806 6 P CB 1.623 33.304 31.700 -0.031 0.000 0.984 7 K N 1.036 121.428 120.400 -0.014 0.000 2.501 7 K HA 0.439 4.759 4.320 0.000 0.000 0.252 7 K C -1.010 175.525 176.600 -0.107 0.000 0.934 7 K CA -0.577 55.641 56.287 -0.114 0.000 0.797 7 K CB 1.805 34.222 32.500 -0.138 0.000 1.270 7 K HN 0.363 nan 8.250 nan 0.000 0.431 8 S N 2.980 118.551 115.700 -0.216 0.000 2.525 8 S HA 0.502 4.972 4.470 0.000 0.000 0.290 8 S C -0.486 173.902 174.600 -0.353 0.000 1.152 8 S CA -0.523 57.592 58.200 -0.143 0.000 1.072 8 S CB 0.353 63.485 63.200 -0.115 0.000 1.027 8 S HN 0.545 nan 8.310 nan 0.000 0.500 9 F N 2.412 122.304 119.950 -0.097 0.000 2.698 9 F HA 0.391 4.918 4.527 0.000 0.000 0.304 9 F C 1.607 177.221 175.800 -0.311 0.000 1.108 9 F CA 0.118 58.030 58.000 -0.147 0.000 1.263 9 F CB 0.750 39.704 39.000 -0.076 0.000 1.013 9 F HN 0.903 nan 8.300 nan 0.000 0.532 10 G N -0.569 108.133 108.800 -0.163 0.000 2.141 10 G HA2 -0.301 3.659 3.960 0.000 0.000 0.231 10 G HA3 -0.301 3.659 3.960 0.000 0.000 0.231 10 G C -0.052 174.618 174.900 -0.382 0.000 0.984 10 G CA -0.286 44.640 45.100 -0.288 0.000 0.660 10 G HN 0.380 nan 8.290 nan 0.000 0.525 11 Y N 0.176 120.514 120.300 0.063 0.000 2.612 11 Y HA 0.482 5.032 4.550 0.000 0.000 0.334 11 Y C 2.170 178.094 175.900 0.040 0.000 1.227 11 Y CA -0.053 58.078 58.100 0.052 0.000 1.356 11 Y CB 0.697 39.195 38.460 0.062 0.000 1.534 11 Y HN 0.219 nan 8.280 nan 0.000 0.576 12 S N -1.151 114.693 115.700 0.239 0.000 2.442 12 S HA -0.034 4.437 4.470 0.000 0.000 0.236 12 S C 0.646 175.289 174.600 0.072 0.000 1.007 12 S CA 1.023 59.287 58.200 0.106 0.000 0.965 12 S CB -0.153 63.094 63.200 0.079 0.000 0.773 12 S HN 0.462 nan 8.310 nan 0.000 0.504 13 S N -0.757 115.035 115.700 0.154 0.000 2.819 13 S HA 0.672 5.142 4.470 0.000 0.000 0.299 13 S C -0.931 173.765 174.600 0.161 0.000 1.192 13 S CA -0.274 58.003 58.200 0.129 0.000 0.847 13 S CB 1.152 64.497 63.200 0.242 0.000 1.224 13 S HN 0.786 nan 8.310 nan 0.000 0.537 14 V N 0.814 120.813 119.914 0.143 0.000 2.850 14 V HA 0.946 5.067 4.120 0.000 0.000 0.315 14 V C 0.137 176.346 176.094 0.192 0.000 1.064 14 V CA -0.516 61.865 62.300 0.135 0.000 0.979 14 V CB 0.984 32.842 31.823 0.057 0.000 1.039 14 V HN 0.892 nan 8.190 nan 0.000 0.452 15 V N -0.453 119.582 119.914 0.201 0.000 2.973 15 V HA 0.687 4.808 4.120 0.000 0.000 0.314 15 V C 0.089 176.301 176.094 0.197 0.000 1.066 15 V CA -0.552 61.884 62.300 0.228 0.000 1.021 15 V CB 1.172 33.128 31.823 0.221 0.000 1.076 15 V HN 1.085 nan 8.190 nan 0.000 0.462 16 c N 2.306 121.036 118.600 0.217 0.000 2.303 16 c HA 0.684 5.254 4.570 0.000 0.000 0.326 16 c C 0.263 174.424 174.090 0.118 0.000 1.285 16 c CA -0.601 55.813 56.329 0.141 0.000 1.675 16 c CB 0.436 43.032 42.510 0.144 0.000 2.289 16 c HN 0.763 nan 8.230 nan 0.000 0.512 17 V N 3.076 123.037 119.914 0.078 0.000 2.432 17 V HA 0.386 4.507 4.120 0.000 0.000 0.275 17 V C 0.196 176.171 176.094 -0.199 0.000 1.043 17 V CA -0.086 62.225 62.300 0.019 0.000 0.925 17 V CB 0.558 32.432 31.823 0.085 0.000 0.985 17 V HN 1.075 nan 8.190 nan 0.000 0.466 18 c N 5.207 123.481 118.600 -0.543 0.000 2.779 18 c HA 0.845 5.416 4.570 0.000 0.000 0.314 18 c C 0.158 173.852 174.090 -0.660 0.000 1.231 18 c CA -0.695 55.206 56.329 -0.714 0.000 1.652 18 c CB 1.654 43.301 42.510 -1.439 0.000 2.198 18 c HN 1.084 nan 8.230 nan 0.000 0.483 19 N N 0.182 118.695 118.700 -0.312 0.000 3.574 19 N HA 0.500 5.240 4.740 0.000 0.000 0.340 19 N C 0.333 175.854 175.510 0.019 0.000 1.650 19 N CA -0.070 52.905 53.050 -0.124 0.000 0.762 19 N CB 0.033 38.469 38.487 -0.084 0.000 2.206 19 N HN 0.504 nan 8.380 nan 0.000 0.621 20 A N -0.941 121.904 122.820 0.041 0.000 2.019 20 A HA -0.023 4.297 4.320 0.000 0.000 0.219 20 A C 1.519 179.136 177.584 0.055 0.000 1.164 20 A CA 2.524 54.597 52.037 0.061 0.000 0.644 20 A CB -1.309 17.716 19.000 0.042 0.000 0.805 20 A HN 0.875 nan 8.150 nan 0.000 0.449 21 T N -6.107 108.480 114.554 0.055 0.000 3.044 21 T HA 0.378 4.728 4.350 0.000 0.000 0.260 21 T C -0.110 174.652 174.700 0.103 0.000 1.019 21 T CA -0.046 62.092 62.100 0.065 0.000 0.921 21 T CB -0.140 68.766 68.868 0.063 0.000 1.053 21 T HN 0.329 nan 8.240 nan 0.000 0.533 22 Y N 0.054 120.322 120.300 -0.054 0.000 2.442 22 Y HA 0.546 5.096 4.550 0.000 0.000 0.330 22 Y C -1.578 174.249 175.900 -0.122 0.000 1.100 22 Y CA -1.453 56.602 58.100 -0.074 0.000 1.034 22 Y CB 1.697 40.108 38.460 -0.082 0.000 1.285 22 Y HN 0.299 nan 8.280 nan 0.000 0.440 23 c N 6.404 124.757 118.600 -0.410 0.000 3.082 23 c HA 0.404 4.974 4.570 0.000 0.000 0.324 23 c C -1.360 172.492 174.090 -0.397 0.000 1.210 23 c CA -0.787 55.395 56.329 -0.244 0.000 1.366 23 c CB 0.912 43.345 42.510 -0.128 0.000 1.756 23 c HN 0.928 nan 8.230 nan 0.000 0.485 24 D N 2.907 123.212 120.400 -0.159 0.000 2.443 24 D HA 0.401 5.041 4.640 0.000 0.000 0.239 24 D C -0.215 175.960 176.300 -0.207 0.000 1.136 24 D CA 0.447 54.353 54.000 -0.156 0.000 0.879 24 D CB 1.030 41.806 40.800 -0.039 0.000 1.195 24 D HN 0.883 nan 8.370 nan 0.000 0.443 25 S N 0.025 115.563 115.700 -0.270 0.000 2.588 25 S HA 0.603 5.074 4.470 0.000 0.000 0.269 25 S C -1.129 173.301 174.600 -0.282 0.000 1.157 25 S CA -1.084 56.978 58.200 -0.231 0.000 0.824 25 S CB 0.693 63.824 63.200 -0.116 0.000 1.126 25 S HN 0.344 nan 8.310 nan 0.000 0.464 26 F N 1.253 121.221 119.950 0.029 0.000 2.440 26 F HA 0.504 5.031 4.527 0.000 0.000 0.328 26 F C 0.904 176.719 175.800 0.025 0.000 1.070 26 F CA -0.541 57.488 58.000 0.048 0.000 1.011 26 F CB 0.807 39.835 39.000 0.046 0.000 1.226 26 F HN 0.532 nan 8.300 nan 0.000 0.491 27 D N 1.557 122.102 120.400 0.241 0.000 2.360 27 D HA 0.193 4.833 4.640 0.000 0.000 0.242 27 D C -2.199 174.171 176.300 0.117 0.000 1.184 27 D CA -1.032 53.050 54.000 0.136 0.000 0.930 27 D CB 0.276 41.138 40.800 0.103 0.000 1.161 27 D HN 0.112 nan 8.370 nan 0.000 0.447 28 P HA 0.065 nan 4.420 nan 0.000 0.266 28 P C -2.432 174.845 177.300 -0.038 0.000 1.186 28 P CA -0.530 62.576 63.100 0.009 0.000 0.767 28 P CB -0.359 31.347 31.700 0.010 0.000 0.820 29 P HA 0.087 nan 4.420 nan 0.000 0.263 29 P C -0.788 176.221 177.300 -0.485 0.000 1.195 29 P CA 0.635 63.565 63.100 -0.283 0.000 0.762 29 P CB 0.268 31.741 31.700 -0.378 0.000 0.799 30 T N 4.206 118.536 114.554 -0.375 0.000 3.011 30 T HA 0.549 4.900 4.350 0.000 0.000 0.303 30 T C -0.893 173.785 174.700 -0.037 0.000 0.997 30 T CA -0.382 61.587 62.100 -0.218 0.000 1.007 30 T CB 0.380 69.253 68.868 0.009 0.000 1.017 30 T HN 0.055 nan 8.240 nan 0.000 0.443 31 F N 2.258 122.252 119.950 0.072 0.000 2.449 31 F HA 0.666 5.193 4.527 0.000 0.000 0.342 31 F C -2.250 173.464 175.800 -0.143 0.000 1.127 31 F CA -4.109 53.901 58.000 0.016 0.000 0.975 31 F CB -0.308 38.802 39.000 0.184 0.000 1.146 31 F HN 0.208 nan 8.300 nan 0.000 0.444 32 P HA 0.383 nan 4.420 nan 0.000 0.274 32 P C -0.362 176.771 177.300 -0.278 0.000 1.256 32 P CA -0.422 62.616 63.100 -0.103 0.000 0.795 32 P CB 0.828 32.479 31.700 -0.081 0.000 1.038 33 A N 0.910 123.651 122.820 -0.131 0.000 2.547 33 A HA 0.087 4.408 4.320 0.000 0.000 0.233 33 A C 0.412 177.967 177.584 -0.049 0.000 1.067 33 A CA -0.339 51.655 52.037 -0.072 0.000 0.763 33 A CB -0.626 18.362 19.000 -0.020 0.000 1.007 33 A HN 0.659 nan 8.150 nan 0.000 0.506 34 L N 1.740 122.992 121.223 0.048 0.000 2.615 34 L HA 0.342 4.683 4.340 0.000 0.000 0.284 34 L C 1.327 178.230 176.870 0.056 0.000 1.237 34 L CA 2.278 57.178 54.840 0.101 0.000 0.905 34 L CB -0.207 41.918 42.059 0.109 0.000 1.149 34 L HN 1.764 nan 8.230 nan 0.000 0.499 35 G N 2.055 110.892 108.800 0.063 0.000 2.213 35 G HA2 -0.226 3.735 3.960 0.000 0.000 0.236 35 G HA3 -0.226 3.735 3.960 0.000 0.000 0.236 35 G C 0.390 175.297 174.900 0.013 0.000 0.991 35 G CA 0.139 45.255 45.100 0.027 0.000 0.629 35 G HN 0.898 nan 8.290 nan 0.000 0.517 36 T N 1.269 115.828 114.554 0.008 0.000 2.856 36 T HA 0.664 5.014 4.350 0.000 0.000 0.283 36 T C -0.363 174.366 174.700 0.048 0.000 1.008 36 T CA -0.038 62.028 62.100 -0.056 0.000 0.997 36 T CB 1.722 70.521 68.868 -0.115 0.000 0.992 36 T HN 0.884 nan 8.240 nan 0.000 0.454 37 F N -0.247 119.715 119.950 0.021 0.000 2.541 37 F HA 0.890 5.418 4.527 0.000 0.000 0.331 37 F C -0.187 175.655 175.800 0.070 0.000 1.057 37 F CA -1.132 56.935 58.000 0.111 0.000 0.975 37 F CB 1.039 40.100 39.000 0.101 0.000 1.246 37 F HN 0.351 nan 8.300 nan 0.000 0.484 38 S N 1.427 117.323 115.700 0.326 0.000 2.501 38 S HA 0.605 5.075 4.470 0.000 0.000 0.301 38 S C -0.981 173.757 174.600 0.229 0.000 1.096 38 S CA -0.863 57.400 58.200 0.104 0.000 1.063 38 S CB 1.423 64.634 63.200 0.018 0.000 1.042 38 S HN 0.753 nan 8.310 nan 0.000 0.494 39 R N 2.204 122.671 120.500 -0.055 0.000 2.532 39 R HA 0.383 4.723 4.340 0.000 0.000 0.297 39 R C -2.023 173.982 176.300 -0.492 0.000 0.984 39 R CA -0.437 55.492 56.100 -0.284 0.000 0.884 39 R CB 0.838 31.024 30.300 -0.191 0.000 1.182 39 R HN 0.654 nan 8.270 nan 0.000 0.442 40 Y N 1.888 121.976 120.300 -0.353 0.000 2.341 40 Y HA 0.300 4.850 4.550 0.000 0.000 0.337 40 Y C 0.096 175.953 175.900 -0.073 0.000 1.014 40 Y CA -0.412 57.571 58.100 -0.194 0.000 1.111 40 Y CB 1.812 40.117 38.460 -0.258 0.000 1.194 40 Y HN 0.539 nan 8.280 nan 0.000 0.462 41 E N 1.935 122.223 120.200 0.145 0.000 2.234 41 E HA 0.612 4.962 4.350 0.000 0.000 0.266 41 E C -1.488 175.314 176.600 0.338 0.000 0.877 41 E CA -0.593 55.923 56.400 0.194 0.000 0.758 41 E CB 1.182 30.837 29.700 -0.075 0.000 1.170 41 E HN 0.602 nan 8.360 nan 0.000 0.415 42 S N 2.173 118.130 115.700 0.428 0.000 2.503 42 S HA 0.647 5.117 4.470 0.000 0.000 0.301 42 S C -0.767 174.036 174.600 0.339 0.000 1.087 42 S CA -0.760 57.675 58.200 0.392 0.000 1.042 42 S CB 1.765 65.285 63.200 0.533 0.000 1.043 42 S HN 0.656 nan 8.310 nan 0.000 0.489 43 T N -1.262 113.349 114.554 0.095 0.000 2.903 43 T HA 0.479 4.830 4.350 0.000 0.000 0.299 43 T C 0.679 174.813 174.700 -0.944 0.000 1.093 43 T CA -0.987 60.954 62.100 -0.265 0.000 1.002 43 T CB 1.720 70.516 68.868 -0.120 0.000 1.127 43 T HN 0.461 nan 8.240 nan 0.000 0.488 44 R N 0.981 120.564 120.500 -1.529 0.000 2.120 44 R HA -0.115 4.225 4.340 0.000 0.000 0.234 44 R C 2.197 178.135 176.300 -0.602 0.000 1.123 44 R CA 2.112 57.278 56.100 -1.556 0.000 0.975 44 R CB -0.721 28.708 30.300 -1.452 0.000 0.866 44 R HN 0.833 nan 8.270 nan 0.000 0.446 45 S N -1.589 113.874 115.700 -0.394 0.000 2.469 45 S HA -0.012 4.458 4.470 0.000 0.000 0.238 45 S C 1.371 175.880 174.600 -0.151 0.000 0.998 45 S CA 1.166 59.245 58.200 -0.202 0.000 0.957 45 S CB 0.259 63.383 63.200 -0.127 0.000 0.764 45 S HN 0.578 nan 8.310 nan 0.000 0.514 46 G N 0.284 108.984 108.800 -0.166 0.000 2.613 46 G HA2 -0.077 3.883 3.960 0.000 0.000 0.199 46 G HA3 -0.077 3.883 3.960 0.000 0.000 0.199 46 G C -0.011 174.847 174.900 -0.069 0.000 0.991 46 G CA -0.677 44.365 45.100 -0.096 0.000 0.756 46 G HN 0.475 nan 8.290 nan 0.000 0.515 47 R N 0.783 121.249 120.500 -0.056 0.000 2.491 47 R HA 0.566 4.907 4.340 0.000 0.000 0.283 47 R C -0.253 176.052 176.300 0.008 0.000 1.072 47 R CA -0.023 56.069 56.100 -0.013 0.000 1.048 47 R CB 0.464 30.777 30.300 0.022 0.000 0.983 47 R HN -0.029 nan 8.270 nan 0.000 0.450 48 R N 3.863 124.345 120.500 -0.031 0.000 2.412 48 R HA 0.179 4.519 4.340 0.000 0.000 0.304 48 R C -0.119 176.214 176.300 0.055 0.000 1.066 48 R CA -0.547 55.478 56.100 -0.123 0.000 0.923 48 R CB 1.186 31.197 30.300 -0.481 0.000 1.156 48 R HN 0.800 nan 8.270 nan 0.000 0.513 49 M N 0.834 120.593 119.600 0.266 0.000 2.169 49 M HA -0.256 4.224 4.480 0.000 0.000 0.196 49 M C -0.517 176.055 176.300 0.454 0.000 0.355 49 M CA 1.290 56.843 55.300 0.422 0.000 0.396 49 M CB -1.208 31.755 32.600 0.604 0.000 1.125 49 M HN 0.415 nan 8.290 nan 0.000 0.939 50 E N 0.932 121.274 120.200 0.237 0.000 2.289 50 E HA 0.360 4.710 4.350 0.000 0.000 0.278 50 E C -0.332 176.262 176.600 -0.011 0.000 1.032 50 E CA -0.620 55.847 56.400 0.111 0.000 0.854 50 E CB 1.133 30.855 29.700 0.036 0.000 1.046 50 E HN 0.265 nan 8.360 nan 0.000 0.409 51 L N 3.318 124.476 121.223 -0.109 0.000 2.290 51 L HA 0.222 4.562 4.340 0.000 0.000 0.284 51 L C -0.415 176.297 176.870 -0.264 0.000 1.078 51 L CA 0.301 54.892 54.840 -0.414 0.000 0.815 51 L CB 0.843 42.652 42.059 -0.417 0.000 1.162 51 L HN 0.532 nan 8.230 nan 0.000 0.435 52 S N 4.759 120.282 115.700 -0.294 0.000 2.632 52 S HA 0.868 5.338 4.470 0.000 0.000 0.289 52 S C -0.567 173.886 174.600 -0.245 0.000 1.115 52 S CA -1.012 57.068 58.200 -0.201 0.000 0.889 52 S CB 1.680 64.806 63.200 -0.123 0.000 1.116 52 S HN 0.624 nan 8.310 nan 0.000 0.486 53 M N 0.349 119.781 119.600 -0.280 0.000 2.658 53 M HA 0.795 5.275 4.480 0.000 0.000 0.295 53 M C 0.065 175.961 176.300 -0.672 0.000 1.248 53 M CA -0.489 54.516 55.300 -0.491 0.000 0.843 53 M CB 2.636 35.029 32.600 -0.345 0.000 1.749 53 M HN 1.115 nan 8.290 nan 0.000 0.464 54 G N 0.592 108.641 108.800 -1.251 0.000 2.554 54 G HA2 0.709 4.669 3.960 0.000 0.000 0.306 54 G HA3 0.709 4.669 3.960 0.000 0.000 0.306 54 G C -3.404 171.102 174.900 -0.657 0.000 1.320 54 G CA -0.734 43.853 45.100 -0.855 0.000 0.800 54 G HN 0.357 nan 8.290 nan 0.000 0.481 55 P HA 0.537 nan 4.420 nan 0.000 0.286 55 P C -0.711 176.705 177.300 0.193 0.000 1.261 55 P CA -0.438 62.677 63.100 0.024 0.000 0.821 55 P CB 1.835 33.553 31.700 0.031 0.000 1.013 56 I N 2.616 123.247 120.570 0.101 0.000 2.328 56 I HA 0.283 4.453 4.170 0.000 0.000 0.287 56 I C 0.686 176.811 176.117 0.014 0.000 1.012 56 I CA -0.356 60.950 61.300 0.010 0.000 1.195 56 I CB 0.888 38.802 38.000 -0.143 0.000 1.350 56 I HN 0.211 nan 8.210 nan 0.000 0.464 57 Q N 3.189 123.024 119.800 0.058 0.000 2.241 57 Q HA 0.567 4.907 4.340 0.000 0.000 0.262 57 Q C 0.795 176.891 176.000 0.160 0.000 1.014 57 Q CA -0.569 55.288 55.803 0.091 0.000 0.885 57 Q CB 2.258 31.052 28.738 0.093 0.000 1.311 57 Q HN 0.790 nan 8.270 nan 0.000 0.461 58 A N 1.793 124.694 122.820 0.136 0.000 1.970 58 A HA -0.018 4.302 4.320 0.000 0.000 0.216 58 A C 0.144 177.866 177.584 0.230 0.000 1.170 58 A CA 0.894 53.039 52.037 0.180 0.000 0.645 58 A CB -0.189 18.871 19.000 0.100 0.000 0.816 58 A HN 0.748 nan 8.150 nan 0.000 0.447 59 N N -0.534 118.237 118.700 0.118 0.000 2.443 59 N HA 0.393 5.133 4.740 0.000 0.000 0.295 59 N C -0.664 174.800 175.510 -0.076 0.000 1.076 59 N CA -0.340 52.713 53.050 0.005 0.000 0.919 59 N CB 0.854 39.334 38.487 -0.011 0.000 1.176 59 N HN 0.480 nan 8.380 nan 0.000 0.487 60 H N 0.531 119.328 119.070 -0.455 0.000 2.595 60 H HA 0.178 4.735 4.556 0.000 0.000 0.313 60 H C 0.140 175.270 175.328 -0.331 0.000 1.023 60 H CA -0.565 55.097 56.048 -0.645 0.000 1.218 60 H CB 0.908 29.789 29.762 -1.468 0.000 1.403 60 H HN 0.792 nan 8.280 nan 0.000 0.477 61 T N 0.842 115.336 114.554 -0.101 0.000 3.014 61 T HA 0.194 4.545 4.350 0.000 0.000 0.250 61 T C 1.184 175.798 174.700 -0.144 0.000 1.060 61 T CA 0.136 62.153 62.100 -0.138 0.000 1.040 61 T CB 0.223 69.056 68.868 -0.058 0.000 0.971 61 T HN 0.532 nan 8.240 nan 0.000 0.497 62 G N 1.424 110.200 108.800 -0.040 0.000 2.491 62 G HA2 0.407 4.367 3.960 0.000 0.000 0.242 62 G HA3 0.407 4.367 3.960 0.000 0.000 0.242 62 G C 0.660 175.473 174.900 -0.146 0.000 1.266 62 G CA 0.194 45.285 45.100 -0.015 0.000 0.844 62 G HN 0.429 nan 8.290 nan 0.000 0.571 63 T N -0.825 113.679 114.554 -0.082 0.000 3.145 63 T HA 0.447 4.797 4.350 0.000 0.000 0.281 63 T C 1.090 175.776 174.700 -0.024 0.000 1.003 63 T CA 0.357 62.401 62.100 -0.093 0.000 0.901 63 T CB 0.621 69.433 68.868 -0.094 0.000 1.112 63 T HN 0.706 nan 8.240 nan 0.000 0.535 64 G N 1.701 110.508 108.800 0.012 0.000 2.882 64 G HA2 0.569 4.529 3.960 0.000 0.000 0.164 64 G HA3 0.569 4.529 3.960 0.000 0.000 0.164 64 G C -0.390 174.532 174.900 0.036 0.000 1.429 64 G CA -0.970 44.141 45.100 0.017 0.000 1.059 64 G HN 0.432 nan 8.290 nan 0.000 0.581 65 L N -0.089 121.149 121.223 0.026 0.000 2.525 65 L HA 0.463 4.804 4.340 0.000 0.000 0.278 65 L C -0.427 176.463 176.870 0.033 0.000 1.218 65 L CA -0.124 54.731 54.840 0.025 0.000 0.878 65 L CB 0.689 42.755 42.059 0.011 0.000 1.127 65 L HN 0.312 nan 8.230 nan 0.000 0.492 66 L N 6.123 127.368 121.223 0.037 0.000 2.362 66 L HA 0.585 4.925 4.340 0.000 0.000 0.275 66 L C -1.378 175.493 176.870 0.002 0.000 0.998 66 L CA -0.241 54.612 54.840 0.022 0.000 0.820 66 L CB 1.486 43.581 42.059 0.061 0.000 1.270 66 L HN 0.576 nan 8.230 nan 0.000 0.415 67 L N 4.810 126.016 121.223 -0.029 0.000 2.305 67 L HA 0.566 4.907 4.340 0.000 0.000 0.284 67 L C -0.423 176.430 176.870 -0.029 0.000 1.013 67 L CA -0.427 54.403 54.840 -0.018 0.000 0.819 67 L CB 1.796 43.843 42.059 -0.020 0.000 1.227 67 L HN 0.582 nan 8.230 nan 0.000 0.417 68 T N 4.139 118.690 114.554 -0.005 0.000 2.770 68 T HA 0.357 4.707 4.350 0.000 0.000 0.283 68 T C -0.001 174.713 174.700 0.024 0.000 0.988 68 T CA -0.442 61.649 62.100 -0.014 0.000 0.957 68 T CB 1.481 70.342 68.868 -0.011 0.000 0.930 68 T HN 0.333 nan 8.240 nan 0.000 0.443 69 L N 3.590 124.843 121.223 0.049 0.000 2.456 69 L HA 0.192 4.532 4.340 0.000 0.000 0.272 69 L C 0.025 176.929 176.870 0.056 0.000 1.189 69 L CA 0.185 55.078 54.840 0.088 0.000 0.846 69 L CB 0.577 42.733 42.059 0.162 0.000 1.111 69 L HN 0.589 nan 8.230 nan 0.000 0.475 70 Q N 5.831 125.667 119.800 0.060 0.000 2.932 70 Q HA 0.241 4.581 4.340 0.000 0.000 0.248 70 Q C -1.856 174.166 176.000 0.036 0.000 0.982 70 Q CA -1.528 54.302 55.803 0.044 0.000 0.730 70 Q CB 1.468 30.238 28.738 0.053 0.000 1.249 70 Q HN 0.487 nan 8.270 nan 0.000 0.476 71 P HA -0.115 nan 4.420 nan 0.000 0.226 71 P C 0.621 177.913 177.300 -0.014 0.000 1.153 71 P CA 0.964 64.069 63.100 0.009 0.000 0.777 71 P CB 0.641 32.345 31.700 0.007 0.000 0.794 72 E N -0.376 119.812 120.200 -0.020 0.000 2.435 72 E HA -0.021 4.329 4.350 0.000 0.000 0.195 72 E C 0.536 177.083 176.600 -0.089 0.000 1.029 72 E CA 0.551 56.925 56.400 -0.043 0.000 0.865 72 E CB -0.373 29.310 29.700 -0.029 0.000 0.833 72 E HN 0.383 nan 8.360 nan 0.000 0.510 73 Q N 1.524 121.264 119.800 -0.100 0.000 2.389 73 Q HA 0.123 4.463 4.340 0.000 0.000 0.244 73 Q C -0.573 175.174 176.000 -0.421 0.000 1.056 73 Q CA 0.064 55.726 55.803 -0.235 0.000 0.908 73 Q CB 0.722 29.402 28.738 -0.096 0.000 1.273 73 Q HN -0.244 nan 8.270 nan 0.000 0.471 74 K N 2.979 123.067 120.400 -0.519 0.000 2.185 74 K HA 0.452 4.772 4.320 0.000 0.000 0.269 74 K C -0.648 175.576 176.600 -0.626 0.000 0.987 74 K CA -0.168 55.881 56.287 -0.396 0.000 0.865 74 K CB 1.139 33.533 32.500 -0.178 0.000 1.090 74 K HN 0.356 nan 8.250 nan 0.000 0.450 75 F N 0.309 120.276 119.950 0.028 0.000 3.084 75 F HA 0.186 4.713 4.527 0.000 0.000 0.232 75 F C 1.074 176.907 175.800 0.056 0.000 1.511 75 F CA -0.737 57.285 58.000 0.036 0.000 0.942 75 F CB -0.076 38.918 39.000 -0.010 0.000 1.935 75 F HN 0.314 nan 8.300 nan 0.000 0.403 76 Q N 2.204 122.183 119.800 0.297 0.000 2.354 76 Q HA 0.249 4.589 4.340 0.000 0.000 0.244 76 Q C -1.290 174.800 176.000 0.148 0.000 0.969 76 Q CA -0.200 55.720 55.803 0.195 0.000 0.885 76 Q CB 1.037 29.884 28.738 0.181 0.000 1.241 76 Q HN 0.477 nan 8.270 nan 0.000 0.461 77 K N 1.139 121.611 120.400 0.121 0.000 2.174 77 K HA 0.397 4.717 4.320 0.000 0.000 0.275 77 K C -0.594 176.056 176.600 0.083 0.000 1.015 77 K CA -0.738 55.606 56.287 0.095 0.000 0.933 77 K CB 1.608 34.155 32.500 0.078 0.000 1.025 77 K HN 0.426 nan 8.250 nan 0.000 0.463 78 V N 3.536 123.489 119.914 0.064 0.000 2.498 78 V HA 0.029 4.149 4.120 0.000 0.000 0.279 78 V C 1.171 177.252 176.094 -0.022 0.000 1.048 78 V CA -0.147 62.168 62.300 0.025 0.000 0.967 78 V CB 1.281 33.139 31.823 0.058 0.000 0.988 78 V HN 0.742 nan 8.190 nan 0.000 0.473 79 K N 3.460 123.826 120.400 -0.056 0.000 2.067 79 K HA 0.368 4.688 4.320 0.000 0.000 0.203 79 K C 0.681 177.161 176.600 -0.201 0.000 1.048 79 K CA 1.451 57.646 56.287 -0.153 0.000 0.954 79 K CB -0.026 32.367 32.500 -0.179 0.000 0.737 79 K HN 1.004 nan 8.250 nan 0.000 0.444 80 G N -2.030 106.626 108.800 -0.240 0.000 2.350 80 G HA2 0.266 4.226 3.960 0.000 0.000 0.276 80 G HA3 0.266 4.226 3.960 0.000 0.000 0.276 80 G C -1.552 172.988 174.900 -0.601 0.000 1.313 80 G CA -0.840 44.097 45.100 -0.271 0.000 0.903 80 G HN 0.013 nan 8.290 nan 0.000 0.490 81 F N -0.231 119.698 119.950 -0.035 0.000 2.588 81 F HA 0.849 5.376 4.527 0.000 0.000 0.310 81 F C 0.793 176.361 175.800 -0.388 0.000 1.082 81 F CA 0.498 58.421 58.000 -0.128 0.000 0.929 81 F CB 2.395 41.342 39.000 -0.089 0.000 1.254 81 F HN 1.265 nan 8.300 nan 0.000 0.455 82 G N -0.035 108.492 108.800 -0.454 0.000 2.435 82 G HA2 0.589 4.549 3.960 0.000 0.000 0.228 82 G HA3 0.589 4.549 3.960 0.000 0.000 0.228 82 G C -1.210 173.321 174.900 -0.615 0.000 1.198 82 G CA -0.001 44.480 45.100 -1.033 0.000 0.948 82 G HN 1.133 nan 8.290 nan 0.000 0.487 83 G N -1.635 107.011 108.800 -0.257 0.000 2.600 83 G HA2 0.764 4.724 3.960 0.000 0.000 0.293 83 G HA3 0.764 4.724 3.960 0.000 0.000 0.293 83 G C -1.236 173.698 174.900 0.057 0.000 1.408 83 G CA 0.510 45.582 45.100 -0.047 0.000 0.782 83 G HN 1.785 nan 8.290 nan 0.000 0.482 84 A N -0.235 122.630 122.820 0.075 0.000 2.304 84 A HA 0.651 4.971 4.320 0.000 0.000 0.323 84 A C -0.137 177.447 177.584 -0.001 0.000 1.195 84 A CA -0.617 51.493 52.037 0.123 0.000 0.826 84 A CB 1.313 20.483 19.000 0.284 0.000 1.184 84 A HN 0.762 nan 8.150 nan 0.000 0.496 85 M N 3.929 123.571 119.600 0.071 0.000 3.422 85 M HA 0.191 4.671 4.480 0.000 0.000 0.248 85 M C 0.722 177.029 176.300 0.011 0.000 1.433 85 M CA -0.071 55.254 55.300 0.042 0.000 1.592 85 M CB -0.850 31.810 32.600 0.100 0.000 1.078 85 M HN 0.766 nan 8.290 nan 0.000 0.578 86 T N -1.489 112.984 114.554 -0.136 0.000 2.813 86 T HA 0.192 4.542 4.350 0.000 0.000 0.297 86 T C 0.882 175.540 174.700 -0.071 0.000 1.036 86 T CA -0.638 61.356 62.100 -0.177 0.000 1.044 86 T CB 0.674 69.269 68.868 -0.455 0.000 0.993 86 T HN 0.477 nan 8.240 nan 0.000 0.535 87 D N 1.051 121.442 120.400 -0.016 0.000 2.133 87 D HA -0.125 4.516 4.640 0.000 0.000 0.195 87 D C 2.356 178.662 176.300 0.011 0.000 0.997 87 D CA 1.839 55.861 54.000 0.037 0.000 0.840 87 D CB -0.868 39.987 40.800 0.091 0.000 0.947 87 D HN 0.749 nan 8.370 nan 0.000 0.452 88 A N 1.158 123.977 122.820 -0.001 0.000 1.865 88 A HA -0.098 4.223 4.320 0.000 0.000 0.217 88 A C 2.369 179.924 177.584 -0.050 0.000 1.191 88 A CA 2.646 54.691 52.037 0.013 0.000 0.623 88 A CB -0.951 18.116 19.000 0.111 0.000 0.826 88 A HN 0.249 nan 8.150 nan 0.000 0.444 89 A N -0.176 122.567 122.820 -0.129 0.000 1.873 89 A HA 0.056 4.376 4.320 0.000 0.000 0.218 89 A C 2.544 180.099 177.584 -0.047 0.000 1.193 89 A CA 2.627 54.596 52.037 -0.113 0.000 0.629 89 A CB -1.157 17.755 19.000 -0.146 0.000 0.826 89 A HN 1.174 nan 8.150 nan 0.000 0.447 90 A N -0.498 122.306 122.820 -0.028 0.000 1.898 90 A HA 0.017 4.338 4.320 0.000 0.000 0.216 90 A C 2.179 179.759 177.584 -0.006 0.000 1.181 90 A CA 1.407 53.441 52.037 -0.005 0.000 0.620 90 A CB -0.599 18.409 19.000 0.013 0.000 0.819 90 A HN 0.483 nan 8.150 nan 0.000 0.442 91 L N -0.180 121.041 121.223 -0.002 0.000 2.012 91 L HA -0.239 4.102 4.340 0.000 0.000 0.210 91 L C 2.439 179.307 176.870 -0.004 0.000 1.073 91 L CA 1.420 56.262 54.840 0.002 0.000 0.748 91 L CB -0.775 41.292 42.059 0.014 0.000 0.891 91 L HN 0.416 nan 8.230 nan 0.000 0.431 92 N N 0.441 119.135 118.700 -0.011 0.000 2.084 92 N HA -0.158 4.582 4.740 0.000 0.000 0.190 92 N C 1.949 177.439 175.510 -0.033 0.000 1.030 92 N CA 1.537 54.577 53.050 -0.016 0.000 0.849 92 N CB -0.223 38.252 38.487 -0.022 0.000 1.012 92 N HN 0.324 nan 8.380 nan 0.000 0.423 93 I N 1.199 121.743 120.570 -0.043 0.000 2.163 93 I HA -0.231 3.939 4.170 0.000 0.000 0.243 93 I C 1.932 178.022 176.117 -0.045 0.000 1.085 93 I CA 0.993 62.253 61.300 -0.066 0.000 1.347 93 I CB -0.207 37.764 38.000 -0.047 0.000 1.044 93 I HN 0.045 nan 8.210 nan 0.000 0.408 94 L N 0.373 121.583 121.223 -0.023 0.000 2.552 94 L HA -0.002 4.338 4.340 0.000 0.000 0.227 94 L C 2.386 179.251 176.870 -0.008 0.000 1.146 94 L CA 0.259 55.091 54.840 -0.013 0.000 0.858 94 L CB -0.368 41.686 42.059 -0.007 0.000 0.969 94 L HN 0.200 nan 8.230 nan 0.000 0.451 95 A N -0.409 122.406 122.820 -0.007 0.000 2.208 95 A HA 0.173 4.493 4.320 0.000 0.000 0.209 95 A C 1.029 178.616 177.584 0.005 0.000 1.161 95 A CA 0.124 52.162 52.037 0.001 0.000 0.782 95 A CB -0.144 18.859 19.000 0.005 0.000 0.816 95 A HN 0.245 nan 8.150 nan 0.000 0.477 96 L N 0.720 121.942 121.223 -0.001 0.000 2.421 96 L HA 0.267 4.607 4.340 0.000 0.000 0.263 96 L C 1.040 177.918 176.870 0.015 0.000 1.122 96 L CA -0.538 54.310 54.840 0.014 0.000 0.804 96 L CB 1.176 43.241 42.059 0.010 0.000 1.150 96 L HN 0.338 nan 8.230 nan 0.000 0.457 97 S N 0.550 116.265 115.700 0.026 0.000 2.572 97 S HA 0.133 4.603 4.470 0.000 0.000 0.279 97 S C -1.915 172.698 174.600 0.022 0.000 1.341 97 S CA -0.998 57.215 58.200 0.022 0.000 1.043 97 S CB 0.841 64.056 63.200 0.026 0.000 0.887 97 S HN 0.407 nan 8.310 nan 0.000 0.516 98 P HA -0.090 nan 4.420 nan 0.000 0.216 98 P C -1.533 175.780 177.300 0.021 0.000 1.154 98 P CA 1.531 64.639 63.100 0.014 0.000 0.865 98 P CB -1.128 30.579 31.700 0.011 0.000 0.789 99 P HA -0.112 nan 4.420 nan 0.000 0.217 99 P C 1.385 178.723 177.300 0.063 0.000 1.150 99 P CA 1.809 64.932 63.100 0.038 0.000 0.832 99 P CB -0.604 31.117 31.700 0.036 0.000 0.787 100 A N -0.177 122.692 122.820 0.082 0.000 1.898 100 A HA -0.237 4.083 4.320 0.000 0.000 0.216 100 A C 2.229 179.855 177.584 0.070 0.000 1.181 100 A CA 1.444 53.578 52.037 0.162 0.000 0.620 100 A CB -1.301 17.812 19.000 0.188 0.000 0.819 100 A HN 0.173 nan 8.150 nan 0.000 0.442 101 Q N -0.115 119.683 119.800 -0.003 0.000 2.096 101 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 101 Q C 1.772 177.743 176.000 -0.048 0.000 0.982 101 Q CA 1.513 57.276 55.803 -0.067 0.000 0.850 101 Q CB -0.279 28.441 28.738 -0.030 0.000 0.901 101 Q HN 0.614 nan 8.270 nan 0.000 0.422 102 N N 0.541 119.244 118.700 0.004 0.000 2.188 102 N HA -0.092 4.649 4.740 0.000 0.000 0.184 102 N C 1.814 177.345 175.510 0.035 0.000 1.018 102 N CA 0.909 53.973 53.050 0.023 0.000 0.858 102 N CB -0.119 38.385 38.487 0.028 0.000 0.989 102 N HN 0.242 nan 8.380 nan 0.000 0.426 103 L N 0.649 121.913 121.223 0.068 0.000 2.093 103 L HA -0.092 4.248 4.340 0.000 0.000 0.208 103 L C 2.391 179.319 176.870 0.097 0.000 1.085 103 L CA 0.628 55.548 54.840 0.132 0.000 0.755 103 L CB -0.333 41.873 42.059 0.244 0.000 0.904 103 L HN 0.155 nan 8.230 nan 0.000 0.435 104 L N -0.328 120.789 121.223 -0.175 0.000 2.027 104 L HA -0.205 4.135 4.340 0.000 0.000 0.206 104 L C 2.474 179.239 176.870 -0.174 0.000 1.074 104 L CA 1.309 55.798 54.840 -0.584 0.000 0.745 104 L CB -0.056 41.342 42.059 -1.102 0.000 0.898 104 L HN 0.159 nan 8.230 nan 0.000 0.433 105 L N -0.282 120.940 121.223 -0.001 0.000 2.083 105 L HA -0.228 4.112 4.340 0.000 0.000 0.209 105 L C 2.629 179.659 176.870 0.267 0.000 1.083 105 L CA 1.353 56.337 54.840 0.239 0.000 0.752 105 L CB -0.503 41.676 42.059 0.200 0.000 0.899 105 L HN 0.237 nan 8.230 nan 0.000 0.433 106 K N -0.402 120.078 120.400 0.135 0.000 2.057 106 K HA -0.113 4.207 4.320 0.000 0.000 0.207 106 K C 2.326 178.978 176.600 0.085 0.000 1.049 106 K CA 1.422 57.781 56.287 0.121 0.000 0.931 106 K CB -0.140 32.407 32.500 0.078 0.000 0.714 106 K HN 0.128 nan 8.250 nan 0.000 0.440 107 S N 0.367 116.079 115.700 0.021 0.000 2.365 107 S HA -0.190 4.280 4.470 0.000 0.000 0.225 107 S C 1.816 176.414 174.600 -0.003 0.000 1.039 107 S CA 1.474 59.665 58.200 -0.015 0.000 1.033 107 S CB -0.331 62.711 63.200 -0.263 0.000 0.887 107 S HN 0.331 nan 8.310 nan 0.000 0.447 108 Y N -0.965 119.240 120.300 -0.158 0.000 2.231 108 Y HA 0.057 4.607 4.550 0.000 0.000 0.294 108 Y C 1.795 177.273 175.900 -0.704 0.000 1.120 108 Y CA 0.883 58.562 58.100 -0.701 0.000 1.141 108 Y CB -0.009 37.790 38.460 -1.103 0.000 1.022 108 Y HN 0.215 nan 8.280 nan 0.000 0.523 109 F N -1.187 118.828 119.950 0.108 0.000 2.622 109 F HA 0.078 4.606 4.527 0.000 0.000 0.288 109 F C 1.398 177.234 175.800 0.059 0.000 1.120 109 F CA -0.181 57.880 58.000 0.102 0.000 1.423 109 F CB -0.023 39.041 39.000 0.107 0.000 1.127 109 F HN -0.202 nan 8.300 nan 0.000 0.588 110 S N -0.046 115.764 115.700 0.183 0.000 2.669 110 S HA 0.086 4.556 4.470 0.000 0.000 0.270 110 S C 1.158 175.789 174.600 0.052 0.000 1.225 110 S CA -0.466 57.805 58.200 0.119 0.000 0.991 110 S CB 1.322 64.585 63.200 0.105 0.000 0.987 110 S HN 0.378 nan 8.310 nan 0.000 0.552 111 E N 0.437 120.655 120.200 0.031 0.000 2.204 111 E HA -0.186 4.164 4.350 0.000 0.000 0.195 111 E C 1.274 177.888 176.600 0.024 0.000 0.990 111 E CA 1.205 57.595 56.400 -0.016 0.000 0.821 111 E CB -0.212 29.481 29.700 -0.011 0.000 0.750 111 E HN 0.841 nan 8.360 nan 0.000 0.477 112 E N 0.058 120.308 120.200 0.084 0.000 2.478 112 E HA 0.018 4.369 4.350 0.000 0.000 0.198 112 E C 0.916 177.672 176.600 0.260 0.000 1.046 112 E CA 0.396 56.891 56.400 0.158 0.000 0.870 112 E CB 0.462 30.217 29.700 0.092 0.000 0.818 112 E HN 0.301 nan 8.360 nan 0.000 0.527 113 G N 1.308 110.222 108.800 0.189 0.000 3.234 113 G HA2 0.360 4.320 3.960 0.000 0.000 0.159 113 G HA3 0.360 4.320 3.960 0.000 0.000 0.159 113 G C 0.527 175.456 174.900 0.049 0.000 1.175 113 G CA -0.511 44.721 45.100 0.220 0.000 0.900 113 G HN 0.178 nan 8.290 nan 0.000 0.621 114 I N -2.225 118.281 120.570 -0.106 0.000 3.941 114 I HA 0.509 4.679 4.170 0.000 0.000 0.335 114 I C 1.181 177.143 176.117 -0.258 0.000 1.402 114 I CA 0.326 61.427 61.300 -0.331 0.000 1.112 114 I CB 0.441 38.125 38.000 -0.527 0.000 1.043 114 I HN 0.839 nan 8.210 nan 0.000 0.395 115 G N 1.095 109.812 108.800 -0.139 0.000 2.198 115 G HA2 -0.326 3.634 3.960 0.000 0.000 0.260 115 G HA3 -0.326 3.634 3.960 0.000 0.000 0.260 115 G C 0.097 175.079 174.900 0.136 0.000 1.025 115 G CA -0.057 45.023 45.100 -0.033 0.000 0.769 115 G HN 0.650 nan 8.290 nan 0.000 0.507 116 Y N 0.464 120.723 120.300 -0.068 0.000 2.904 116 Y HA -0.017 4.533 4.550 0.000 0.000 0.336 116 Y C 1.656 177.661 175.900 0.175 0.000 1.263 116 Y CA 0.676 58.768 58.100 -0.013 0.000 1.547 116 Y CB 0.471 38.729 38.460 -0.338 0.000 1.272 116 Y HN 0.477 nan 8.280 nan 0.000 0.596 117 N N 3.240 122.090 118.700 0.251 0.000 2.240 117 N HA 0.197 4.938 4.740 0.000 0.000 0.240 117 N C -0.975 174.595 175.510 0.100 0.000 1.277 117 N CA 0.109 53.266 53.050 0.177 0.000 0.873 117 N CB 0.290 38.828 38.487 0.084 0.000 1.222 117 N HN 0.495 nan 8.380 nan 0.000 0.507 118 I N 1.023 121.666 120.570 0.122 0.000 2.619 118 I HA 0.473 4.644 4.170 0.000 0.000 0.292 118 I C -0.962 175.259 176.117 0.173 0.000 1.100 118 I CA -0.793 60.568 61.300 0.102 0.000 1.043 118 I CB 2.488 40.541 38.000 0.088 0.000 1.239 118 I HN -0.143 nan 8.210 nan 0.000 0.420 119 I N 5.226 125.911 120.570 0.192 0.000 2.447 119 I HA 0.426 4.597 4.170 0.000 0.000 0.287 119 I C -0.288 175.970 176.117 0.235 0.000 1.023 119 I CA -0.580 60.845 61.300 0.209 0.000 1.083 119 I CB 2.020 40.126 38.000 0.176 0.000 1.245 119 I HN 0.513 nan 8.210 nan 0.000 0.434 120 R N 5.518 126.171 120.500 0.255 0.000 2.297 120 R HA 0.666 5.006 4.340 0.000 0.000 0.308 120 R C -1.501 174.996 176.300 0.328 0.000 1.029 120 R CA -0.329 55.962 56.100 0.320 0.000 0.929 120 R CB 1.272 31.769 30.300 0.328 0.000 1.046 120 R HN 0.460 nan 8.270 nan 0.000 0.461 121 V N 7.301 127.442 119.914 0.378 0.000 2.376 121 V HA 0.344 4.464 4.120 0.000 0.000 0.287 121 V C -2.248 174.033 176.094 0.312 0.000 1.015 121 V CA -2.194 60.324 62.300 0.364 0.000 0.834 121 V CB 1.614 33.734 31.823 0.495 0.000 1.001 121 V HN 0.857 nan 8.190 nan 0.000 0.428 122 P HA 0.213 nan 4.420 nan 0.000 0.268 122 P C -0.279 177.094 177.300 0.122 0.000 1.204 122 P CA 0.008 63.242 63.100 0.223 0.000 0.768 122 P CB 0.390 32.044 31.700 -0.076 0.000 0.842 123 M N 3.406 122.997 119.600 -0.015 0.000 2.319 123 M HA 0.406 4.887 4.480 0.000 0.000 0.343 123 M C 0.716 176.941 176.300 -0.126 0.000 1.364 123 M CA 0.364 55.584 55.300 -0.135 0.000 1.292 123 M CB -0.702 31.601 32.600 -0.495 0.000 1.432 123 M HN 0.608 nan 8.290 nan 0.000 0.448 124 A N 1.546 124.211 122.820 -0.260 0.000 5.939 124 A HA -0.161 4.160 4.320 0.000 0.000 0.250 124 A C 0.281 177.558 177.584 -0.510 0.000 2.234 124 A CA 0.298 51.977 52.037 -0.596 0.000 0.707 124 A CB -1.735 16.671 19.000 -0.990 0.000 1.007 124 A HN 0.879 nan 8.150 nan 0.000 0.351 125 S N -0.191 114.939 115.700 -0.950 0.000 2.601 125 S HA 0.631 5.101 4.470 0.000 0.000 0.271 125 S C 0.536 174.882 174.600 -0.424 0.000 1.305 125 S CA 0.267 57.985 58.200 -0.803 0.000 1.022 125 S CB 0.642 63.179 63.200 -1.104 0.000 0.940 125 S HN 2.534 nan 8.310 nan 0.000 0.525 126 C N 0.618 119.701 119.300 -0.362 0.000 3.312 126 C HA 0.642 5.102 4.460 0.000 0.000 0.368 126 C C 1.448 176.430 174.990 -0.013 0.000 2.465 126 C CA 0.036 58.800 59.018 -0.424 0.000 1.359 126 C CB 0.487 27.413 27.740 -1.355 0.000 2.896 126 C HN 0.878 nan 8.230 nan 0.000 0.470 127 D N 0.738 121.079 120.400 -0.097 0.000 2.178 127 D HA -0.134 4.507 4.640 0.000 0.000 0.201 127 D C 0.634 176.752 176.300 -0.303 0.000 0.980 127 D CA 1.248 55.055 54.000 -0.322 0.000 0.842 127 D CB -0.479 39.729 40.800 -0.987 0.000 0.948 127 D HN 0.598 nan 8.370 nan 0.000 0.472 128 F N 1.315 121.199 119.950 -0.111 0.000 2.669 128 F HA 0.297 4.825 4.527 0.001 0.000 0.353 128 F C 0.347 176.096 175.800 -0.086 0.000 1.192 128 F CA -0.098 57.815 58.000 -0.144 0.000 1.317 128 F CB 0.128 38.917 39.000 -0.350 0.000 1.652 128 F HN -0.235 nan 8.300 nan 0.000 0.608 129 S N 0.347 116.126 115.700 0.132 0.000 2.651 129 S HA 0.468 4.938 4.470 0.000 0.000 0.279 129 S C 0.626 175.334 174.600 0.180 0.000 1.148 129 S CA -0.748 57.538 58.200 0.144 0.000 0.837 129 S CB 1.774 65.038 63.200 0.107 0.000 1.138 129 S HN 0.392 nan 8.310 nan 0.000 0.478 130 I N -0.940 119.705 120.570 0.126 0.000 3.956 130 I HA 0.438 4.608 4.170 0.000 0.000 0.333 130 I C 0.384 176.523 176.117 0.038 0.000 1.302 130 I CA -0.233 61.130 61.300 0.105 0.000 1.122 130 I CB -0.157 37.885 38.000 0.070 0.000 1.013 130 I HN 0.522 nan 8.210 nan 0.000 0.405 131 R N 0.537 121.015 120.500 -0.036 0.000 2.741 131 R HA 0.453 4.793 4.340 0.000 0.000 0.274 131 R C -1.008 175.079 176.300 -0.354 0.000 1.029 131 R CA -0.425 55.555 56.100 -0.200 0.000 0.880 131 R CB 0.553 30.816 30.300 -0.061 0.000 1.264 131 R HN 0.074 nan 8.270 nan 0.000 0.465 132 T N -0.587 113.674 114.554 -0.489 0.000 2.845 132 T HA 0.632 4.983 4.350 0.000 0.000 0.288 132 T C -0.494 174.130 174.700 -0.127 0.000 0.980 132 T CA -0.448 61.356 62.100 -0.494 0.000 1.071 132 T CB 0.488 69.001 68.868 -0.592 0.000 0.941 132 T HN 0.628 nan 8.240 nan 0.000 0.487 133 Y N -1.016 119.155 120.300 -0.216 0.000 2.662 133 Y HA 0.672 5.223 4.550 0.000 0.000 0.334 133 Y C -0.465 175.343 175.900 -0.153 0.000 1.185 133 Y CA -1.104 56.908 58.100 -0.148 0.000 1.074 133 Y CB 0.693 39.081 38.460 -0.121 0.000 1.330 133 Y HN 0.961 nan 8.280 nan 0.000 0.458 134 T N -2.419 112.128 114.554 -0.012 0.000 2.807 134 T HA 0.429 4.779 4.350 0.000 0.000 0.277 134 T C -0.344 174.397 174.700 0.070 0.000 1.006 134 T CA -0.640 61.411 62.100 -0.082 0.000 1.006 134 T CB 1.004 69.868 68.868 -0.007 0.000 1.274 134 T HN 0.766 nan 8.240 nan 0.000 0.569 135 Y N -0.151 120.254 120.300 0.175 0.000 2.511 135 Y HA 0.491 5.042 4.550 0.001 0.000 0.279 135 Y C 1.624 177.383 175.900 -0.235 0.000 1.157 135 Y CA -0.186 57.745 58.100 -0.282 0.000 1.300 135 Y CB 0.393 38.179 38.460 -1.123 0.000 1.052 135 Y HN 0.767 nan 8.280 nan 0.000 0.529 136 A N -0.384 122.620 122.820 0.307 0.000 3.410 136 A HA 0.240 4.561 4.320 0.000 0.000 0.276 136 A C -0.057 177.834 177.584 0.511 0.000 0.995 136 A CA -0.440 51.852 52.037 0.426 0.000 0.934 136 A CB -0.189 19.207 19.000 0.661 0.000 1.191 136 A HN 0.128 nan 8.150 nan 0.000 0.511 137 D N 0.426 121.030 120.400 0.339 0.000 2.277 137 D HA -0.025 4.615 4.640 0.000 0.000 0.208 137 D C 0.425 176.907 176.300 0.305 0.000 0.962 137 D CA 1.094 55.294 54.000 0.333 0.000 0.865 137 D CB 0.185 41.092 40.800 0.180 0.000 0.939 137 D HN 0.410 nan 8.370 nan 0.000 0.510 138 T N 4.422 119.087 114.554 0.186 0.000 2.793 138 T HA 0.098 4.448 4.350 0.000 0.000 0.289 138 T C -2.217 172.273 174.700 -0.349 0.000 0.956 138 T CA -0.950 61.140 62.100 -0.017 0.000 1.177 138 T CB 1.211 70.077 68.868 -0.004 0.000 0.897 138 T HN 0.088 nan 8.240 nan 0.000 0.533 139 P HA 0.104 nan 4.420 nan 0.000 0.272 139 P C -0.122 176.419 177.300 -1.264 0.000 1.223 139 P CA -0.157 62.221 63.100 -1.203 0.000 0.784 139 P CB 0.462 31.873 31.700 -0.481 0.000 0.923 140 D N -0.825 118.464 120.400 -1.851 0.000 2.708 140 D HA -0.190 4.451 4.640 0.000 0.000 0.236 140 D C -0.127 175.668 176.300 -0.841 0.000 1.146 140 D CA 1.086 54.407 54.000 -1.132 0.000 0.662 140 D CB -1.723 38.925 40.800 -0.253 0.000 1.059 140 D HN 0.513 nan 8.370 nan 0.000 0.428 141 D N -0.720 118.961 120.400 -1.199 0.000 3.133 141 D HA 0.166 4.806 4.640 0.000 0.000 0.288 141 D C 1.008 177.354 176.300 0.075 0.000 1.346 141 D CA -0.623 53.195 54.000 -0.304 0.000 0.934 141 D CB -0.636 40.089 40.800 -0.125 0.000 1.042 141 D HN 0.075 nan 8.370 nan 0.000 0.506 142 F N 0.158 120.256 119.950 0.247 0.000 2.307 142 F HA -0.106 4.421 4.527 0.000 0.000 0.301 142 F C 2.251 178.202 175.800 0.252 0.000 1.076 142 F CA 0.754 58.971 58.000 0.362 0.000 1.383 142 F CB 0.126 39.258 39.000 0.221 0.000 1.055 142 F HN 0.232 nan 8.300 nan 0.000 0.526 143 Q N -0.106 119.877 119.800 0.306 0.000 2.360 143 Q HA 0.160 4.501 4.340 0.000 0.000 0.202 143 Q C 1.084 177.051 176.000 -0.054 0.000 0.915 143 Q CA 0.182 56.034 55.803 0.081 0.000 0.943 143 Q CB 0.105 28.836 28.738 -0.010 0.000 1.064 143 Q HN 0.498 nan 8.270 nan 0.000 0.511 144 L N 0.499 121.812 121.223 0.151 0.000 3.717 144 L HA -0.313 4.027 4.340 0.000 0.000 0.414 144 L C 0.714 177.656 176.870 0.120 0.000 1.228 144 L CA 0.100 55.077 54.840 0.228 0.000 0.918 144 L CB -2.089 40.134 42.059 0.274 0.000 1.865 144 L HN 0.346 nan 8.230 nan 0.000 0.922 145 H N -0.525 118.658 119.070 0.189 0.000 2.387 145 H HA -0.056 4.500 4.556 0.000 0.000 0.299 145 H C 1.839 177.265 175.328 0.163 0.000 1.090 145 H CA 1.905 58.040 56.048 0.145 0.000 1.332 145 H CB 0.071 29.893 29.762 0.101 0.000 1.386 145 H HN 0.465 nan 8.280 nan 0.000 0.516 146 N N 0.384 119.256 118.700 0.288 0.000 2.322 146 N HA -0.044 4.696 4.740 0.000 0.000 0.194 146 N C -0.340 175.325 175.510 0.259 0.000 1.126 146 N CA -0.057 53.130 53.050 0.228 0.000 0.845 146 N CB -0.039 38.548 38.487 0.166 0.000 0.976 146 N HN 0.199 nan 8.380 nan 0.000 0.475 147 F N 2.864 122.909 119.950 0.157 0.000 2.602 147 F HA -0.006 4.522 4.527 0.001 0.000 0.385 147 F C 0.622 176.474 175.800 0.087 0.000 1.063 147 F CA -0.108 57.972 58.000 0.134 0.000 1.233 147 F CB 0.395 39.433 39.000 0.063 0.000 1.067 147 F HN -0.076 nan 8.300 nan 0.000 0.564 148 S N 6.088 121.658 115.700 -0.216 0.000 2.550 148 S HA 0.583 5.053 4.470 0.000 0.000 0.270 148 S C -1.196 173.290 174.600 -0.189 0.000 1.145 148 S CA -1.258 56.904 58.200 -0.063 0.000 0.852 148 S CB 1.272 64.498 63.200 0.043 0.000 1.119 148 S HN 0.670 nan 8.310 nan 0.000 0.465 149 L N 2.725 123.896 121.223 -0.086 0.000 2.331 149 L HA 0.460 4.800 4.340 0.000 0.000 0.278 149 L C -1.662 175.227 176.870 0.033 0.000 1.106 149 L CA -1.568 53.249 54.840 -0.037 0.000 0.824 149 L CB 0.442 42.458 42.059 -0.071 0.000 1.142 149 L HN 0.597 nan 8.230 nan 0.000 0.443 150 P HA 0.180 nan 4.420 nan 0.000 0.302 150 P C -0.032 177.224 177.300 -0.073 0.000 1.307 150 P CA -0.417 62.645 63.100 -0.062 0.000 0.754 150 P CB 0.958 32.508 31.700 -0.251 0.000 1.298 151 E N -0.188 119.947 120.200 -0.109 0.000 2.160 151 E HA -0.188 4.162 4.350 0.000 0.000 0.195 151 E C 1.785 178.342 176.600 -0.072 0.000 0.991 151 E CA 1.451 57.801 56.400 -0.083 0.000 0.810 151 E CB -0.753 28.898 29.700 -0.082 0.000 0.742 151 E HN 0.472 nan 8.360 nan 0.000 0.466 152 E N 0.665 120.805 120.200 -0.100 0.000 2.085 152 E HA -0.175 4.175 4.350 0.000 0.000 0.194 152 E C 1.550 178.179 176.600 0.048 0.000 0.994 152 E CA 1.492 57.879 56.400 -0.022 0.000 0.801 152 E CB -0.070 29.630 29.700 -0.001 0.000 0.743 152 E HN 0.343 nan 8.360 nan 0.000 0.453 153 D N -0.820 119.624 120.400 0.073 0.000 2.110 153 D HA -0.085 4.555 4.640 0.000 0.000 0.202 153 D C 2.097 178.319 176.300 -0.131 0.000 0.975 153 D CA 2.006 56.040 54.000 0.057 0.000 0.839 153 D CB -0.250 40.628 40.800 0.129 0.000 0.996 153 D HN 0.331 nan 8.370 nan 0.000 0.464 154 T N -0.888 113.575 114.554 -0.152 0.000 2.942 154 T HA -0.044 4.306 4.350 0.000 0.000 0.265 154 T C 1.787 176.419 174.700 -0.113 0.000 1.062 154 T CA 0.751 62.722 62.100 -0.216 0.000 1.139 154 T CB 0.249 69.043 68.868 -0.122 0.000 0.883 154 T HN -0.007 nan 8.240 nan 0.000 0.468 155 K N 0.162 120.523 120.400 -0.066 0.000 2.276 155 K HA 0.286 4.606 4.320 0.000 0.000 0.198 155 K C 1.889 178.473 176.600 -0.027 0.000 1.052 155 K CA 0.185 56.450 56.287 -0.037 0.000 0.984 155 K CB 0.160 32.642 32.500 -0.030 0.000 0.836 155 K HN 0.367 nan 8.250 nan 0.000 0.490 156 L N -0.056 121.153 121.223 -0.023 0.000 2.379 156 L HA 0.115 4.456 4.340 0.000 0.000 0.190 156 L C 2.160 179.031 176.870 0.002 0.000 1.111 156 L CA 0.274 55.111 54.840 -0.005 0.000 0.820 156 L CB -0.415 41.648 42.059 0.007 0.000 1.046 156 L HN -0.116 nan 8.230 nan 0.000 0.485 157 K N 0.810 121.224 120.400 0.022 0.000 2.001 157 K HA -0.049 4.271 4.320 0.000 0.000 0.208 157 K C 2.052 178.651 176.600 -0.002 0.000 1.048 157 K CA 1.401 57.721 56.287 0.055 0.000 0.932 157 K CB -0.167 32.431 32.500 0.164 0.000 0.715 157 K HN 0.136 nan 8.250 nan 0.000 0.437 158 I N 1.002 121.517 120.570 -0.092 0.000 2.179 158 I HA -0.187 3.984 4.170 0.000 0.000 0.242 158 I C -0.952 175.091 176.117 -0.123 0.000 1.088 158 I CA 1.108 62.273 61.300 -0.225 0.000 1.357 158 I CB -0.934 36.776 38.000 -0.483 0.000 1.051 158 I HN 0.076 nan 8.210 nan 0.000 0.409 159 P HA -0.142 nan 4.420 nan 0.000 0.217 159 P C 1.916 179.232 177.300 0.028 0.000 1.150 159 P CA 1.381 64.519 63.100 0.064 0.000 0.832 159 P CB 0.033 31.750 31.700 0.030 0.000 0.787 160 L N -1.501 119.715 121.223 -0.011 0.000 2.141 160 L HA -0.122 4.219 4.340 0.000 0.000 0.209 160 L C 2.322 179.144 176.870 -0.080 0.000 1.094 160 L CA 1.182 56.008 54.840 -0.023 0.000 0.763 160 L CB -0.656 41.401 42.059 -0.004 0.000 0.908 160 L HN -0.061 nan 8.230 nan 0.000 0.437 161 I N -1.268 119.232 120.570 -0.115 0.000 2.315 161 I HA -0.287 3.883 4.170 0.000 0.000 0.248 161 I C 2.604 178.583 176.117 -0.229 0.000 1.117 161 I CA 0.890 62.067 61.300 -0.205 0.000 1.404 161 I CB -0.464 37.424 38.000 -0.188 0.000 1.071 161 I HN 0.291 nan 8.210 nan 0.000 0.419 162 H N 1.137 120.145 119.070 -0.103 0.000 2.321 162 H HA -0.087 4.469 4.556 0.000 0.000 0.300 162 H C 2.483 177.749 175.328 -0.104 0.000 1.087 162 H CA 1.488 57.481 56.048 -0.092 0.000 1.319 162 H CB -0.198 29.526 29.762 -0.063 0.000 1.379 162 H HN 0.291 nan 8.280 nan 0.000 0.501 163 R N 0.296 120.815 120.500 0.032 0.000 2.081 163 R HA -0.049 4.292 4.340 0.000 0.000 0.235 163 R C 2.575 178.824 176.300 -0.086 0.000 1.131 163 R CA 1.008 57.100 56.100 -0.013 0.000 0.960 163 R CB -0.216 30.083 30.300 -0.002 0.000 0.856 163 R HN 0.220 nan 8.270 nan 0.000 0.436 164 A N 1.438 124.123 122.820 -0.224 0.000 1.883 164 A HA -0.134 4.186 4.320 0.000 0.000 0.217 164 A C 2.161 179.496 177.584 -0.416 0.000 1.186 164 A CA 1.217 52.927 52.037 -0.546 0.000 0.624 164 A CB -0.593 17.664 19.000 -1.238 0.000 0.822 164 A HN 0.172 nan 8.150 nan 0.000 0.444 165 L N -0.926 120.127 121.223 -0.283 0.000 2.131 165 L HA -0.224 4.116 4.340 0.000 0.000 0.210 165 L C 2.749 179.586 176.870 -0.054 0.000 1.092 165 L CA 1.423 56.176 54.840 -0.144 0.000 0.759 165 L CB -0.808 41.195 42.059 -0.094 0.000 0.903 165 L HN 0.542 nan 8.230 nan 0.000 0.435 166 Q N -0.026 119.752 119.800 -0.037 0.000 2.172 166 Q HA -0.094 4.246 4.340 0.000 0.000 0.200 166 Q C 2.240 178.246 176.000 0.010 0.000 0.964 166 Q CA 1.028 56.829 55.803 -0.004 0.000 0.855 166 Q CB 0.073 28.811 28.738 0.001 0.000 0.918 166 Q HN 0.524 nan 8.270 nan 0.000 0.444 167 L N 0.199 121.431 121.223 0.016 0.000 2.509 167 L HA 0.151 4.491 4.340 0.000 0.000 0.222 167 L C 0.782 177.707 176.870 0.092 0.000 1.123 167 L CA -0.559 54.317 54.840 0.059 0.000 0.856 167 L CB -0.005 42.108 42.059 0.091 0.000 0.985 167 L HN -0.004 nan 8.230 nan 0.000 0.456 168 A N 0.217 123.085 122.820 0.080 0.000 2.492 168 A HA -0.032 4.288 4.320 0.000 0.000 0.254 168 A C 1.328 178.966 177.584 0.091 0.000 1.091 168 A CA -0.047 52.068 52.037 0.130 0.000 0.768 168 A CB 0.460 19.519 19.000 0.100 0.000 1.028 168 A HN 0.404 nan 8.150 nan 0.000 0.498 169 Q N 1.811 121.669 119.800 0.096 0.000 2.077 169 Q HA -0.190 4.150 4.340 0.000 0.000 0.206 169 Q C 0.372 176.399 176.000 0.044 0.000 0.989 169 Q CA 1.734 57.569 55.803 0.054 0.000 0.853 169 Q CB 0.051 28.808 28.738 0.031 0.000 0.907 169 Q HN 0.801 nan 8.270 nan 0.000 0.418 170 R N -0.132 120.403 120.500 0.058 0.000 2.854 170 R HA 0.457 4.797 4.340 0.000 0.000 0.271 170 R C -2.593 173.730 176.300 0.038 0.000 0.996 170 R CA -2.250 53.873 56.100 0.039 0.000 0.961 170 R CB 1.083 31.403 30.300 0.033 0.000 1.182 170 R HN 0.014 nan 8.270 nan 0.000 0.479 171 P HA -0.012 nan 4.420 nan 0.000 0.262 171 P C -0.892 176.408 177.300 -0.001 0.000 1.182 171 P CA 0.011 63.112 63.100 0.001 0.000 0.761 171 P CB 0.479 32.171 31.700 -0.013 0.000 0.795 172 V N 3.467 123.379 119.914 -0.004 0.000 2.483 172 V HA 0.283 4.403 4.120 0.000 0.000 0.295 172 V C 0.344 176.419 176.094 -0.031 0.000 1.035 172 V CA -0.218 62.086 62.300 0.007 0.000 0.896 172 V CB 1.771 33.603 31.823 0.014 0.000 0.986 172 V HN 0.453 nan 8.190 nan 0.000 0.447 173 S N 5.391 121.064 115.700 -0.044 0.000 2.442 173 S HA 0.649 5.119 4.470 0.000 0.000 0.297 173 S C -0.413 174.238 174.600 0.085 0.000 1.131 173 S CA -0.468 57.717 58.200 -0.025 0.000 1.092 173 S CB 0.742 63.779 63.200 -0.273 0.000 0.998 173 S HN 0.481 nan 8.310 nan 0.000 0.478 174 L N 3.645 124.907 121.223 0.065 0.000 2.307 174 L HA 0.605 4.945 4.340 0.000 0.000 0.282 174 L C -0.649 176.446 176.870 0.375 0.000 1.051 174 L CA -0.849 53.990 54.840 -0.002 0.000 0.804 174 L CB 0.972 42.637 42.059 -0.658 0.000 1.197 174 L HN 0.413 nan 8.230 nan 0.000 0.431 175 L N 3.331 124.847 121.223 0.488 0.000 2.376 175 L HA 0.811 5.151 4.340 0.000 0.000 0.275 175 L C -0.487 176.665 176.870 0.470 0.000 0.987 175 L CA -0.152 54.976 54.840 0.480 0.000 0.828 175 L CB 1.553 43.850 42.059 0.396 0.000 1.249 175 L HN 0.651 nan 8.230 nan 0.000 0.409 176 A N 3.279 126.248 122.820 0.249 0.000 2.324 176 A HA 0.926 5.246 4.320 0.000 0.000 0.330 176 A C -0.705 176.840 177.584 -0.065 0.000 1.165 176 A CA -0.433 51.583 52.037 -0.035 0.000 0.813 176 A CB 1.140 19.772 19.000 -0.613 0.000 1.197 176 A HN 0.712 nan 8.150 nan 0.000 0.484 177 S N 2.673 118.363 115.700 -0.017 0.000 2.572 177 S HA 0.713 5.183 4.470 0.000 0.000 0.274 177 S C -3.099 171.557 174.600 0.094 0.000 1.150 177 S CA -0.830 57.380 58.200 0.017 0.000 0.944 177 S CB 2.387 65.624 63.200 0.061 0.000 1.071 177 S HN 0.659 nan 8.310 nan 0.000 0.479 178 P HA 0.343 nan 4.420 nan 0.000 0.293 178 P C -0.001 177.486 177.300 0.312 0.000 1.291 178 P CA -0.719 62.479 63.100 0.163 0.000 0.867 178 P CB 1.318 33.036 31.700 0.031 0.000 1.074 179 W N 0.657 121.976 121.300 0.032 0.000 2.678 179 W HA 0.050 4.711 4.660 0.000 0.000 0.282 179 W C 0.728 177.248 176.519 0.003 0.000 1.137 179 W CA 0.617 57.998 57.345 0.059 0.000 1.515 179 W CB 0.323 29.844 29.460 0.102 0.000 1.101 179 W HN 0.245 nan 8.180 nan 0.000 0.564 180 T N 0.203 114.846 114.554 0.150 0.000 2.906 180 T HA 0.324 4.674 4.350 0.000 0.000 0.295 180 T C -0.015 174.454 174.700 -0.385 0.000 1.061 180 T CA -0.446 61.578 62.100 -0.127 0.000 1.000 180 T CB 1.492 70.297 68.868 -0.106 0.000 1.103 180 T HN -0.044 nan 8.240 nan 0.000 0.486 181 S N 4.007 119.169 115.700 -0.896 0.000 2.624 181 S HA 0.558 5.028 4.470 0.000 0.000 0.263 181 S C -2.643 171.521 174.600 -0.727 0.000 1.287 181 S CA -1.094 56.291 58.200 -1.359 0.000 0.990 181 S CB -0.055 62.001 63.200 -1.907 0.000 0.950 181 S HN 0.554 nan 8.310 nan 0.000 0.561 182 P HA 0.006 nan 4.420 nan 0.000 0.264 182 P C 1.126 178.031 177.300 -0.659 0.000 1.173 182 P CA 0.395 63.130 63.100 -0.609 0.000 0.761 182 P CB 0.186 31.276 31.700 -1.017 0.000 0.794 183 T N -0.925 113.421 114.554 -0.347 0.000 3.035 183 T HA -0.103 4.248 4.350 0.000 0.000 0.268 183 T C 1.205 175.823 174.700 -0.137 0.000 1.109 183 T CA 0.416 62.390 62.100 -0.211 0.000 1.119 183 T CB -0.626 68.203 68.868 -0.064 0.000 0.900 183 T HN 0.572 nan 8.240 nan 0.000 0.503 184 W N 1.074 122.322 121.300 -0.087 0.000 3.077 184 W HA 0.363 5.023 4.660 0.000 0.000 0.245 184 W C 0.544 177.059 176.519 -0.007 0.000 1.316 184 W CA -0.497 56.821 57.345 -0.046 0.000 1.537 184 W CB -0.823 28.607 29.460 -0.050 0.000 1.131 184 W HN 0.270 nan 8.180 nan 0.000 0.695 185 L N 0.697 121.703 121.223 -0.362 0.000 2.640 185 L HA 0.227 4.567 4.340 0.000 0.000 0.230 185 L C 0.651 177.300 176.870 -0.368 0.000 1.123 185 L CA 0.375 55.044 54.840 -0.285 0.000 0.900 185 L CB -0.104 41.646 42.059 -0.515 0.000 1.146 185 L HN -0.284 nan 8.230 nan 0.000 0.484 186 K N -0.352 119.849 120.400 -0.332 0.000 2.156 186 K HA 0.248 4.569 4.320 0.000 0.000 0.254 186 K C 1.189 177.645 176.600 -0.241 0.000 0.950 186 K CA -0.017 56.074 56.287 -0.327 0.000 0.849 186 K CB 1.800 34.115 32.500 -0.309 0.000 1.100 186 K HN -0.080 nan 8.250 nan 0.000 0.434 187 T N -1.706 112.707 114.554 -0.236 0.000 2.833 187 T HA -0.162 4.189 4.350 0.000 0.000 0.269 187 T C 1.198 175.824 174.700 -0.123 0.000 1.054 187 T CA 1.487 63.481 62.100 -0.177 0.000 1.135 187 T CB -0.249 68.523 68.868 -0.160 0.000 0.869 187 T HN 0.660 nan 8.240 nan 0.000 0.466 188 N N 1.331 119.959 118.700 -0.120 0.000 2.280 188 N HA 0.191 4.931 4.740 0.000 0.000 0.192 188 N C 1.461 176.934 175.510 -0.062 0.000 1.109 188 N CA 0.466 53.468 53.050 -0.079 0.000 0.855 188 N CB -0.654 37.791 38.487 -0.071 0.000 0.974 188 N HN 0.627 nan 8.380 nan 0.000 0.482 189 G N -0.384 108.372 108.800 -0.073 0.000 2.341 189 G HA2 -0.041 3.919 3.960 0.000 0.000 0.292 189 G HA3 -0.041 3.919 3.960 0.000 0.000 0.292 189 G C 0.014 174.893 174.900 -0.035 0.000 1.021 189 G CA 0.592 45.668 45.100 -0.040 0.000 0.905 189 G HN 0.910 nan 8.290 nan 0.000 0.508 190 A N -1.682 121.102 122.820 -0.059 0.000 2.539 190 A HA 0.856 5.177 4.320 0.000 0.000 0.296 190 A C 1.157 178.713 177.584 -0.048 0.000 1.073 190 A CA 0.263 52.279 52.037 -0.034 0.000 0.700 190 A CB 1.146 20.140 19.000 -0.011 0.000 1.296 190 A HN 1.489 nan 8.150 nan 0.000 0.405 191 V N -0.620 119.282 119.914 -0.020 0.000 2.626 191 V HA 0.008 4.129 4.120 0.000 0.000 0.252 191 V C 0.725 176.858 176.094 0.066 0.000 1.067 191 V CA 1.983 64.276 62.300 -0.012 0.000 1.081 191 V CB -1.581 30.235 31.823 -0.012 0.000 0.686 191 V HN 0.972 nan 8.190 nan 0.000 0.468 192 N N 0.174 118.936 118.700 0.102 0.000 3.369 192 N HA 0.631 5.372 4.740 0.000 0.000 0.362 192 N C 0.511 176.070 175.510 0.082 0.000 1.523 192 N CA 0.205 53.347 53.050 0.153 0.000 0.684 192 N CB 0.512 39.129 38.487 0.216 0.000 1.796 192 N HN 0.932 nan 8.380 nan 0.000 0.641 193 G N -0.212 108.644 108.800 0.093 0.000 2.804 193 G HA2 -0.232 3.729 3.960 0.000 0.000 0.230 193 G HA3 -0.232 3.729 3.960 0.000 0.000 0.230 193 G C -0.849 174.062 174.900 0.018 0.000 1.386 193 G CA 0.032 45.160 45.100 0.046 0.000 0.875 193 G HN 0.888 nan 8.290 nan 0.000 0.557 194 K N 0.665 121.057 120.400 -0.015 0.000 2.292 194 K HA 0.555 4.876 4.320 0.000 0.000 0.290 194 K C 0.489 177.043 176.600 -0.077 0.000 1.083 194 K CA 0.393 56.650 56.287 -0.050 0.000 0.918 194 K CB -0.262 32.212 32.500 -0.044 0.000 1.089 194 K HN 1.553 nan 8.250 nan 0.000 0.473 195 G N 1.685 110.416 108.800 -0.115 0.000 2.655 195 G HA2 0.330 4.290 3.960 0.000 0.000 0.296 195 G HA3 0.330 4.290 3.960 0.000 0.000 0.296 195 G C -1.309 173.449 174.900 -0.237 0.000 1.485 195 G CA -0.659 44.348 45.100 -0.156 0.000 0.869 195 G HN 0.602 nan 8.290 nan 0.000 0.540 196 S N 0.168 115.701 115.700 -0.277 0.000 2.841 196 S HA 0.794 5.264 4.470 0.000 0.000 0.318 196 S C 0.011 174.338 174.600 -0.454 0.000 1.127 196 S CA -0.964 56.981 58.200 -0.425 0.000 0.883 196 S CB 0.872 63.877 63.200 -0.325 0.000 1.271 196 S HN 0.692 nan 8.310 nan 0.000 0.567 197 L N 1.355 122.230 121.223 -0.580 0.000 2.483 197 L HA 0.253 4.593 4.340 0.000 0.000 0.276 197 L C 0.585 177.275 176.870 -0.300 0.000 1.213 197 L CA -0.196 54.322 54.840 -0.537 0.000 0.843 197 L CB 0.194 41.765 42.059 -0.812 0.000 1.107 197 L HN 0.664 nan 8.230 nan 0.000 0.487 198 K N 1.576 121.740 120.400 -0.393 0.000 2.355 198 K HA 0.349 4.669 4.320 0.000 0.000 0.270 198 K C 0.746 177.258 176.600 -0.147 0.000 1.003 198 K CA 0.618 56.625 56.287 -0.466 0.000 0.957 198 K CB 0.637 32.476 32.500 -1.101 0.000 0.939 198 K HN 0.820 nan 8.250 nan 0.000 0.482 199 G N 1.000 109.768 108.800 -0.053 0.000 2.514 199 G HA2 -0.269 3.692 3.960 0.000 0.000 0.265 199 G HA3 -0.269 3.692 3.960 0.000 0.000 0.265 199 G C -1.002 173.964 174.900 0.110 0.000 1.150 199 G CA 0.255 45.433 45.100 0.130 0.000 0.959 199 G HN 0.683 nan 8.290 nan 0.000 0.556 200 Q N 0.007 119.830 119.800 0.039 0.000 2.418 200 Q HA 0.630 4.970 4.340 0.000 0.000 0.282 200 Q C -3.251 172.347 176.000 -0.670 0.000 1.044 200 Q CA -1.914 53.730 55.803 -0.266 0.000 0.813 200 Q CB 1.945 30.598 28.738 -0.142 0.000 1.428 200 Q HN 0.394 nan 8.270 nan 0.000 0.402 201 P HA 0.077 nan 4.420 nan 0.000 0.264 201 P C 0.687 177.898 177.300 -0.148 0.000 1.179 201 P CA 2.438 65.263 63.100 -0.460 0.000 0.763 201 P CB 0.211 31.869 31.700 -0.070 0.000 0.806 202 G N 1.586 110.397 108.800 0.018 0.000 2.284 202 G HA2 -0.205 3.756 3.960 0.000 0.000 0.230 202 G HA3 -0.205 3.756 3.960 0.000 0.000 0.230 202 G C 0.146 175.095 174.900 0.081 0.000 1.021 202 G CA 0.317 45.445 45.100 0.047 0.000 0.619 202 G HN 0.728 nan 8.290 nan 0.000 0.510 203 D N 1.127 121.589 120.400 0.104 0.000 2.433 203 D HA 0.446 5.086 4.640 0.000 0.000 0.255 203 D C 1.999 178.399 176.300 0.167 0.000 1.226 203 D CA -0.379 53.699 54.000 0.131 0.000 1.015 203 D CB 0.145 41.041 40.800 0.161 0.000 1.091 203 D HN 0.115 nan 8.370 nan 0.000 0.527 204 I N -0.718 119.853 120.570 0.001 0.000 2.264 204 I HA -0.289 3.882 4.170 0.000 0.000 0.248 204 I C 2.120 178.287 176.117 0.083 0.000 1.111 204 I CA 1.412 62.657 61.300 -0.091 0.000 1.382 204 I CB -1.446 36.268 38.000 -0.478 0.000 1.060 204 I HN 0.424 nan 8.210 nan 0.000 0.418 205 Y N 0.813 121.285 120.300 0.287 0.000 2.163 205 Y HA -0.217 4.333 4.550 0.000 0.000 0.288 205 Y C 2.915 178.978 175.900 0.272 0.000 1.136 205 Y CA 1.710 60.004 58.100 0.322 0.000 1.147 205 Y CB -0.894 37.695 38.460 0.215 0.000 0.987 205 Y HN 0.201 nan 8.280 nan 0.000 0.509 206 H N -0.623 118.696 119.070 0.416 0.000 2.389 206 H HA -0.129 4.427 4.556 0.000 0.000 0.299 206 H C 2.073 177.688 175.328 0.478 0.000 1.081 206 H CA 1.530 57.848 56.048 0.449 0.000 1.345 206 H CB -0.055 29.968 29.762 0.435 0.000 1.393 206 H HN 0.266 nan 8.280 nan 0.000 0.520 207 Q N -0.281 119.785 119.800 0.442 0.000 2.123 207 Q HA -0.067 4.274 4.340 0.000 0.000 0.199 207 Q C 2.183 178.380 176.000 0.328 0.000 0.966 207 Q CA 1.490 57.481 55.803 0.314 0.000 0.845 207 Q CB -0.288 28.573 28.738 0.205 0.000 0.907 207 Q HN 0.485 nan 8.270 nan 0.000 0.439 208 T N 0.743 115.526 114.554 0.383 0.000 2.746 208 T HA -0.172 4.178 4.350 0.000 0.000 0.267 208 T C 1.249 176.240 174.700 0.485 0.000 1.039 208 T CA 0.989 63.342 62.100 0.422 0.000 1.142 208 T CB -0.393 68.781 68.868 0.509 0.000 0.866 208 T HN 0.499 nan 8.240 nan 0.000 0.444 209 W N 1.617 123.064 121.300 0.245 0.000 2.358 209 W HA -0.120 4.541 4.660 0.001 0.000 0.303 209 W C 2.566 179.391 176.519 0.509 0.000 1.208 209 W CA 0.826 58.316 57.345 0.243 0.000 1.274 209 W CB -0.205 29.287 29.460 0.053 0.000 1.138 209 W HN 0.297 nan 8.180 nan 0.000 0.515 210 A N 0.857 123.948 122.820 0.451 0.000 1.902 210 A HA -0.242 4.079 4.320 0.000 0.000 0.217 210 A C 2.009 179.685 177.584 0.153 0.000 1.181 210 A CA 1.789 53.920 52.037 0.158 0.000 0.623 210 A CB -1.130 17.878 19.000 0.014 0.000 0.818 210 A HN 0.366 nan 8.150 nan 0.000 0.443 211 R N -1.940 118.679 120.500 0.200 0.000 2.105 211 R HA -0.214 4.126 4.340 0.000 0.000 0.239 211 R C 2.035 178.426 176.300 0.151 0.000 1.135 211 R CA 1.953 58.145 56.100 0.152 0.000 0.967 211 R CB -0.462 29.941 30.300 0.171 0.000 0.861 211 R HN 0.717 nan 8.270 nan 0.000 0.442 212 Y N -0.141 120.215 120.300 0.092 0.000 2.224 212 Y HA -0.253 4.298 4.550 0.000 0.000 0.289 212 Y C 1.663 177.520 175.900 -0.073 0.000 1.146 212 Y CA 1.609 59.742 58.100 0.056 0.000 1.182 212 Y CB -0.222 38.377 38.460 0.232 0.000 0.983 212 Y HN -0.001 nan 8.280 nan 0.000 0.524 213 F N -0.828 119.097 119.950 -0.043 0.000 2.095 213 F HA -0.267 4.260 4.527 0.000 0.000 0.298 213 F C 2.344 178.082 175.800 -0.104 0.000 1.104 213 F CA 1.719 59.641 58.000 -0.131 0.000 1.232 213 F CB -0.901 37.953 39.000 -0.244 0.000 0.987 213 F HN -0.116 nan 8.300 nan 0.000 0.475 214 V N -0.081 119.886 119.914 0.087 0.000 2.358 214 V HA -0.257 3.864 4.120 0.000 0.000 0.246 214 V C 2.420 178.437 176.094 -0.128 0.000 1.047 214 V CA 1.558 63.869 62.300 0.018 0.000 1.035 214 V CB -0.497 31.361 31.823 0.057 0.000 0.658 214 V HN 0.211 nan 8.190 nan 0.000 0.452 215 K N -0.484 119.720 120.400 -0.327 0.000 2.103 215 K HA -0.187 4.134 4.320 0.000 0.000 0.207 215 K C 2.066 178.208 176.600 -0.763 0.000 1.048 215 K CA 1.681 57.524 56.287 -0.740 0.000 0.930 215 K CB -0.605 31.016 32.500 -1.465 0.000 0.716 215 K HN 0.544 nan 8.250 nan 0.000 0.444 216 F N 1.896 121.447 119.950 -0.664 0.000 2.102 216 F HA -0.150 4.377 4.527 0.000 0.000 0.298 216 F C 1.983 177.643 175.800 -0.234 0.000 1.105 216 F CA 1.169 58.998 58.000 -0.286 0.000 1.239 216 F CB -0.329 38.540 39.000 -0.219 0.000 0.991 216 F HN -0.139 nan 8.300 nan 0.000 0.474 217 L N 0.157 121.177 121.223 -0.337 0.000 2.042 217 L HA -0.239 4.102 4.340 0.000 0.000 0.210 217 L C 2.236 178.843 176.870 -0.438 0.000 1.076 217 L CA 1.486 55.973 54.840 -0.589 0.000 0.749 217 L CB -0.942 40.583 42.059 -0.891 0.000 0.893 217 L HN 0.116 nan 8.230 nan 0.000 0.432 218 D N 0.236 120.523 120.400 -0.189 0.000 2.104 218 D HA -0.187 4.453 4.640 0.000 0.000 0.194 218 D C 2.223 178.514 176.300 -0.014 0.000 0.994 218 D CA 1.633 55.660 54.000 0.045 0.000 0.830 218 D CB -0.102 40.703 40.800 0.010 0.000 0.959 218 D HN 0.337 nan 8.370 nan 0.000 0.452 219 A N 0.193 122.968 122.820 -0.074 0.000 1.858 219 A HA -0.219 4.101 4.320 0.000 0.000 0.216 219 A C 2.153 179.785 177.584 0.079 0.000 1.190 219 A CA 1.217 53.269 52.037 0.025 0.000 0.617 219 A CB -1.185 17.865 19.000 0.084 0.000 0.827 219 A HN 0.212 nan 8.150 nan 0.000 0.443 220 Y N 0.027 120.185 120.300 -0.237 0.000 2.256 220 Y HA -0.117 4.433 4.550 0.000 0.000 0.288 220 Y C 2.890 178.800 175.900 0.016 0.000 1.155 220 Y CA 0.713 58.744 58.100 -0.115 0.000 1.203 220 Y CB -0.588 37.764 38.460 -0.179 0.000 0.980 220 Y HN 0.344 nan 8.280 nan 0.000 0.530 221 A N 0.042 122.938 122.820 0.127 0.000 1.933 221 A HA -0.210 4.110 4.320 0.000 0.000 0.218 221 A C 2.035 179.657 177.584 0.063 0.000 1.175 221 A CA 1.756 53.865 52.037 0.120 0.000 0.628 221 A CB -0.603 18.506 19.000 0.181 0.000 0.814 221 A HN 0.534 nan 8.150 nan 0.000 0.444 222 E N -0.747 119.463 120.200 0.017 0.000 2.204 222 E HA -0.171 4.180 4.350 0.000 0.000 0.195 222 E C 1.006 177.493 176.600 -0.189 0.000 0.990 222 E CA 1.037 57.382 56.400 -0.092 0.000 0.821 222 E CB -0.208 29.402 29.700 -0.150 0.000 0.750 222 E HN 0.701 nan 8.360 nan 0.000 0.477 223 H N 0.337 119.384 119.070 -0.039 0.000 2.538 223 H HA 0.135 4.691 4.556 0.000 0.000 0.286 223 H C -0.008 175.373 175.328 0.088 0.000 1.035 223 H CA 0.238 56.275 56.048 -0.019 0.000 1.169 223 H CB 0.446 30.116 29.762 -0.153 0.000 1.417 223 H HN -0.046 nan 8.280 nan 0.000 0.567 224 K N 0.237 120.714 120.400 0.129 0.000 3.096 224 K HA -0.165 4.155 4.320 0.000 0.000 0.266 224 K C -0.534 176.159 176.600 0.154 0.000 1.043 224 K CA 0.339 56.707 56.287 0.135 0.000 0.758 224 K CB -2.007 30.562 32.500 0.114 0.000 1.260 224 K HN 0.398 nan 8.250 nan 0.000 0.481 225 L N 0.795 122.077 121.223 0.097 0.000 2.385 225 L HA 0.350 4.690 4.340 0.000 0.000 0.273 225 L C 0.169 177.064 176.870 0.042 0.000 0.990 225 L CA -0.751 54.096 54.840 0.013 0.000 0.821 225 L CB 2.040 44.083 42.059 -0.026 0.000 1.279 225 L HN -0.026 nan 8.230 nan 0.000 0.412 226 Q N 2.310 122.083 119.800 -0.045 0.000 2.377 226 Q HA 0.537 4.877 4.340 0.000 0.000 0.271 226 Q C -1.324 174.613 176.000 -0.105 0.000 1.077 226 Q CA -0.614 55.210 55.803 0.035 0.000 0.820 226 Q CB 3.159 31.935 28.738 0.062 0.000 1.347 226 Q HN 0.315 nan 8.270 nan 0.000 0.444 227 F N 0.391 120.365 119.950 0.040 0.000 2.421 227 F HA 0.176 4.703 4.527 0.001 0.000 0.337 227 F C 1.004 176.862 175.800 0.097 0.000 1.105 227 F CA -0.669 57.371 58.000 0.068 0.000 1.049 227 F CB 0.840 39.857 39.000 0.028 0.000 1.139 227 F HN 0.715 nan 8.300 nan 0.000 0.479 228 W N 3.670 125.024 121.300 0.090 0.000 2.407 228 W HA 0.344 5.004 4.660 0.000 0.000 0.305 228 W C -0.134 176.403 176.519 0.030 0.000 1.196 228 W CA 1.177 58.535 57.345 0.021 0.000 1.311 228 W CB -0.104 29.336 29.460 -0.033 0.000 1.135 228 W HN 0.437 nan 8.180 nan 0.000 0.514 229 A N 0.090 122.714 122.820 -0.326 0.000 2.609 229 A HA 0.613 4.933 4.320 0.000 0.000 0.291 229 A C -1.261 176.187 177.584 -0.227 0.000 1.096 229 A CA -0.217 51.433 52.037 -0.645 0.000 0.684 229 A CB 1.026 19.092 19.000 -1.557 0.000 1.282 229 A HN 0.574 nan 8.150 nan 0.000 0.412 230 V N -1.251 118.525 119.914 -0.230 0.000 2.914 230 V HA 0.949 5.069 4.120 0.000 0.000 0.314 230 V C -0.076 175.952 176.094 -0.110 0.000 1.084 230 V CA 0.047 62.280 62.300 -0.112 0.000 0.963 230 V CB 1.396 33.211 31.823 -0.015 0.000 1.025 230 V HN 1.629 nan 8.190 nan 0.000 0.432 231 T N 0.268 114.802 114.554 -0.033 0.000 2.929 231 T HA 0.731 5.081 4.350 0.000 0.000 0.284 231 T C 0.998 175.725 174.700 0.045 0.000 1.014 231 T CA -0.073 62.002 62.100 -0.042 0.000 1.051 231 T CB 1.708 70.543 68.868 -0.056 0.000 1.028 231 T HN 1.643 nan 8.240 nan 0.000 0.485 232 A N 0.713 123.506 122.820 -0.046 0.000 2.209 232 A HA 0.374 4.694 4.320 0.000 0.000 0.212 232 A C 0.737 178.364 177.584 0.071 0.000 1.158 232 A CA 0.890 52.900 52.037 -0.046 0.000 0.742 232 A CB -0.820 18.085 19.000 -0.157 0.000 0.790 232 A HN 1.029 nan 8.150 nan 0.000 0.472 233 E N -1.654 118.551 120.200 0.008 0.000 2.972 233 E HA 0.066 4.417 4.350 0.000 0.000 0.311 233 E C -1.269 175.210 176.600 -0.203 0.000 1.132 233 E CA -0.298 56.096 56.400 -0.010 0.000 0.912 233 E CB -0.469 29.200 29.700 -0.051 0.000 1.174 233 E HN 0.201 nan 8.360 nan 0.000 0.462 234 N N 3.158 121.647 118.700 -0.353 0.000 2.468 234 N HA 0.123 4.864 4.740 0.000 0.000 0.265 234 N C -0.717 174.469 175.510 -0.540 0.000 1.199 234 N CA 0.766 53.419 53.050 -0.661 0.000 0.928 234 N CB 0.387 37.923 38.487 -1.585 0.000 1.059 234 N HN 0.555 nan 8.380 nan 0.000 0.467 235 E N 1.744 121.630 120.200 -0.523 0.000 2.197 235 E HA -0.196 4.155 4.350 0.000 0.000 0.184 235 E C -1.674 174.729 176.600 -0.329 0.000 1.439 235 E CA 0.081 56.216 56.400 -0.441 0.000 0.688 235 E CB -0.611 28.903 29.700 -0.311 0.000 1.090 235 E HN 0.693 nan 8.360 nan 0.000 0.341 236 P HA -0.275 nan 4.420 nan 0.000 0.216 236 P C 1.552 178.847 177.300 -0.009 0.000 1.150 236 P CA 1.975 65.068 63.100 -0.011 0.000 0.843 236 P CB 0.006 31.779 31.700 0.122 0.000 0.787 237 S N 0.046 115.666 115.700 -0.134 0.000 2.419 237 S HA -0.076 4.394 4.470 0.000 0.000 0.233 237 S C 2.233 176.712 174.600 -0.201 0.000 1.016 237 S CA 1.075 59.235 58.200 -0.067 0.000 0.974 237 S CB -1.329 61.801 63.200 -0.117 0.000 0.786 237 S HN 0.160 nan 8.310 nan 0.000 0.492 238 A N 1.961 124.556 122.820 -0.375 0.000 1.902 238 A HA 0.193 4.514 4.320 0.000 0.000 0.217 238 A C 2.335 179.524 177.584 -0.658 0.000 1.181 238 A CA 1.429 53.010 52.037 -0.760 0.000 0.623 238 A CB -1.679 16.607 19.000 -1.189 0.000 0.818 238 A HN 0.704 nan 8.150 nan 0.000 0.443 239 G N -0.773 107.807 108.800 -0.368 0.000 2.708 239 G HA2 0.120 4.081 3.960 0.000 0.000 0.210 239 G HA3 0.120 4.081 3.960 0.000 0.000 0.210 239 G C 1.119 175.927 174.900 -0.153 0.000 1.141 239 G CA 0.581 45.550 45.100 -0.219 0.000 0.788 239 G HN 0.464 nan 8.290 nan 0.000 0.531 240 L N -0.402 120.739 121.223 -0.137 0.000 2.585 240 L HA 0.358 4.698 4.340 0.000 0.000 0.226 240 L C 0.441 177.268 176.870 -0.071 0.000 1.113 240 L CA -0.056 54.738 54.840 -0.076 0.000 0.876 240 L CB 0.093 42.136 42.059 -0.025 0.000 1.072 240 L HN 0.066 nan 8.230 nan 0.000 0.468 241 L N 0.869 122.035 121.223 -0.094 0.000 2.272 241 L HA 0.255 4.595 4.340 0.000 0.000 0.289 241 L C 0.600 177.464 176.870 -0.010 0.000 1.032 241 L CA -0.493 54.317 54.840 -0.050 0.000 0.810 241 L CB 1.464 43.496 42.059 -0.044 0.000 1.205 241 L HN 0.102 nan 8.230 nan 0.000 0.422 242 S N 1.555 117.243 115.700 -0.020 0.000 2.546 242 S HA 0.269 4.739 4.470 0.000 0.000 0.290 242 S C 1.248 175.839 174.600 -0.015 0.000 1.290 242 S CA 0.008 58.197 58.200 -0.019 0.000 1.069 242 S CB 0.900 64.083 63.200 -0.028 0.000 0.846 242 S HN 1.067 nan 8.310 nan 0.000 0.495 243 G N 1.134 109.925 108.800 -0.016 0.000 2.162 243 G HA2 -0.326 3.634 3.960 0.000 0.000 0.260 243 G HA3 -0.326 3.634 3.960 0.000 0.000 0.260 243 G C -0.095 174.762 174.900 -0.072 0.000 0.976 243 G CA 0.249 45.323 45.100 -0.045 0.000 0.655 243 G HN 1.072 nan 8.290 nan 0.000 0.533 244 Y N 2.156 122.362 120.300 -0.155 0.000 2.865 244 Y HA 0.249 4.799 4.550 0.000 0.000 0.338 244 Y C -0.307 175.455 175.900 -0.230 0.000 1.269 244 Y CA -0.173 57.794 58.100 -0.222 0.000 1.585 244 Y CB 0.984 39.344 38.460 -0.167 0.000 1.224 244 Y HN 0.120 nan 8.280 nan 0.000 0.554 245 P HA 0.002 nan 4.420 nan 0.000 0.239 245 P C -0.521 176.560 177.300 -0.365 0.000 1.188 245 P CA 0.760 63.514 63.100 -0.578 0.000 0.794 245 P CB 0.263 31.533 31.700 -0.716 0.000 0.937 246 F N -0.100 119.617 119.950 -0.388 0.000 2.450 246 F HA 0.400 4.927 4.527 0.000 0.000 0.328 246 F C 0.952 176.920 175.800 0.280 0.000 1.068 246 F CA -1.730 56.223 58.000 -0.078 0.000 1.007 246 F CB 0.486 39.507 39.000 0.036 0.000 1.251 246 F HN -0.379 nan 8.300 nan 0.000 0.492 247 Q N 1.221 121.378 119.800 0.595 0.000 2.304 247 Q HA 0.159 4.499 4.340 0.000 0.000 0.315 247 Q C -0.499 175.808 176.000 0.511 0.000 1.075 247 Q CA 0.453 56.534 55.803 0.464 0.000 0.988 247 Q CB 0.290 29.251 28.738 0.372 0.000 1.146 247 Q HN 0.695 nan 8.270 nan 0.000 0.383 248 C N 0.498 119.964 119.300 0.278 0.000 3.295 248 C HA 0.874 5.334 4.460 0.000 0.000 0.341 248 C C -1.779 173.195 174.990 -0.025 0.000 1.418 248 C CA -1.261 57.842 59.018 0.141 0.000 1.240 248 C CB 0.787 28.591 27.740 0.106 0.000 1.562 248 C HN 0.801 nan 8.230 nan 0.000 0.457 249 L N 1.710 122.880 121.223 -0.088 0.000 2.661 249 L HA 0.706 5.046 4.340 0.000 0.000 0.263 249 L C 0.119 176.878 176.870 -0.185 0.000 0.956 249 L CA 0.471 55.189 54.840 -0.204 0.000 0.918 249 L CB 1.198 43.121 42.059 -0.226 0.000 1.280 249 L HN 1.423 nan 8.230 nan 0.000 0.416 250 G N 3.262 111.887 108.800 -0.291 0.000 2.432 250 G HA2 0.505 4.465 3.960 0.000 0.000 0.257 250 G HA3 0.505 4.465 3.960 0.000 0.000 0.257 250 G C -1.200 173.462 174.900 -0.395 0.000 1.238 250 G CA -0.011 44.964 45.100 -0.208 0.000 0.838 250 G HN 0.388 nan 8.290 nan 0.000 0.547 251 F N 0.209 120.136 119.950 -0.038 0.000 2.573 251 F HA 0.344 4.872 4.527 0.001 0.000 0.316 251 F C 0.834 176.729 175.800 0.159 0.000 1.148 251 F CA -0.858 57.142 58.000 0.000 0.000 0.940 251 F CB 1.987 40.978 39.000 -0.016 0.000 1.214 251 F HN 0.658 nan 8.300 nan 0.000 0.448 252 T N 0.079 114.775 114.554 0.238 0.000 2.802 252 T HA 0.180 4.530 4.350 0.000 0.000 0.305 252 T C -1.814 172.674 174.700 -0.353 0.000 1.053 252 T CA -1.367 60.750 62.100 0.028 0.000 1.058 252 T CB 1.047 69.914 68.868 -0.001 0.000 0.988 252 T HN 0.358 nan 8.240 nan 0.000 0.539 253 P HA -0.076 nan 4.420 nan 0.000 0.218 253 P C 1.054 177.995 177.300 -0.598 0.000 1.149 253 P CA 1.101 63.258 63.100 -1.571 0.000 0.817 253 P CB 0.104 30.724 31.700 -1.800 0.000 0.785 254 E N -1.084 118.912 120.200 -0.340 0.000 2.077 254 E HA -0.200 4.150 4.350 0.000 0.000 0.193 254 E C 2.228 178.844 176.600 0.028 0.000 0.989 254 E CA 1.103 57.420 56.400 -0.138 0.000 0.800 254 E CB -1.168 28.474 29.700 -0.096 0.000 0.746 254 E HN 0.507 nan 8.360 nan 0.000 0.452 255 H N -0.156 118.910 119.070 -0.006 0.000 2.357 255 H HA -0.121 4.435 4.556 0.000 0.000 0.301 255 H C 2.258 177.784 175.328 0.330 0.000 1.082 255 H CA 1.361 57.514 56.048 0.174 0.000 1.342 255 H CB 0.278 30.162 29.762 0.203 0.000 1.389 255 H HN 0.154 nan 8.280 nan 0.000 0.511 256 Q N 0.860 120.848 119.800 0.312 0.000 2.050 256 Q HA -0.221 4.119 4.340 0.000 0.000 0.202 256 Q C 2.561 178.618 176.000 0.094 0.000 0.980 256 Q CA 1.769 57.640 55.803 0.113 0.000 0.840 256 Q CB -0.117 28.636 28.738 0.025 0.000 0.898 256 Q HN 0.364 nan 8.270 nan 0.000 0.424 257 R N -0.006 120.500 120.500 0.010 0.000 2.112 257 R HA -0.222 4.118 4.340 0.000 0.000 0.242 257 R C 1.332 177.656 176.300 0.040 0.000 1.137 257 R CA 2.235 58.325 56.100 -0.017 0.000 0.944 257 R CB -0.321 29.938 30.300 -0.069 0.000 0.857 257 R HN 0.393 nan 8.270 nan 0.000 0.435 258 D N -0.319 120.147 120.400 0.111 0.000 2.123 258 D HA -0.136 4.504 4.640 0.000 0.000 0.200 258 D C 1.594 178.012 176.300 0.197 0.000 0.976 258 D CA 0.885 54.959 54.000 0.122 0.000 0.831 258 D CB -0.436 40.428 40.800 0.108 0.000 0.974 258 D HN 0.208 nan 8.370 nan 0.000 0.469 259 F N 1.663 121.731 119.950 0.197 0.000 2.095 259 F HA -0.151 4.376 4.527 0.001 0.000 0.298 259 F C 2.078 177.890 175.800 0.019 0.000 1.104 259 F CA 1.089 59.221 58.000 0.220 0.000 1.232 259 F CB -0.474 38.747 39.000 0.368 0.000 0.987 259 F HN -0.129 nan 8.300 nan 0.000 0.475 260 I N 0.154 120.579 120.570 -0.240 0.000 2.179 260 I HA -0.311 3.860 4.170 0.000 0.000 0.242 260 I C 2.703 178.627 176.117 -0.323 0.000 1.088 260 I CA 1.345 62.399 61.300 -0.410 0.000 1.357 260 I CB -0.967 36.903 38.000 -0.217 0.000 1.051 260 I HN 0.238 nan 8.210 nan 0.000 0.409 261 A N 0.601 123.357 122.820 -0.106 0.000 1.902 261 A HA -0.152 4.168 4.320 0.000 0.000 0.217 261 A C 2.376 179.924 177.584 -0.060 0.000 1.181 261 A CA 1.389 53.430 52.037 0.006 0.000 0.623 261 A CB -0.340 18.687 19.000 0.044 0.000 0.818 261 A HN 0.270 nan 8.150 nan 0.000 0.443 262 R N -0.719 119.738 120.500 -0.071 0.000 2.140 262 R HA 0.071 4.412 4.340 0.000 0.000 0.213 262 R C 0.651 176.894 176.300 -0.095 0.000 1.059 262 R CA 1.288 57.362 56.100 -0.044 0.000 1.000 262 R CB -0.206 30.101 30.300 0.012 0.000 0.910 262 R HN 0.596 nan 8.270 nan 0.000 0.455 263 D N -0.254 120.032 120.400 -0.190 0.000 3.234 263 D HA -0.021 4.619 4.640 0.000 0.000 0.281 263 D C 1.810 177.834 176.300 -0.459 0.000 1.405 263 D CA -0.152 53.727 54.000 -0.200 0.000 1.115 263 D CB -0.346 40.499 40.800 0.075 0.000 1.198 263 D HN -0.096 nan 8.370 nan 0.000 0.388 264 L N 2.139 122.835 121.223 -0.877 0.000 1.994 264 L HA 0.011 4.352 4.340 0.000 0.000 0.208 264 L C 2.224 178.642 176.870 -0.754 0.000 1.071 264 L CA 2.367 56.635 54.840 -0.953 0.000 0.745 264 L CB -1.081 40.134 42.059 -1.407 0.000 0.892 264 L HN 0.137 nan 8.230 nan 0.000 0.431 265 G N -0.521 107.740 108.800 -0.898 0.000 2.511 265 G HA2 -0.226 3.735 3.960 0.000 0.000 0.216 265 G HA3 -0.226 3.735 3.960 0.000 0.000 0.216 265 G C -0.599 173.593 174.900 -1.180 0.000 1.218 265 G CA 0.987 45.248 45.100 -1.398 0.000 0.788 265 G HN 0.375 nan 8.290 nan 0.000 0.560 266 P HA -0.052 nan 4.420 nan 0.000 0.215 266 P C 2.055 179.221 177.300 -0.224 0.000 1.153 266 P CA 1.874 64.763 63.100 -0.351 0.000 0.853 266 P CB -0.238 31.337 31.700 -0.209 0.000 0.788 267 T N -0.418 113.984 114.554 -0.253 0.000 2.737 267 T HA -0.076 4.274 4.350 0.000 0.000 0.265 267 T C 1.773 176.401 174.700 -0.119 0.000 1.038 267 T CA 1.057 63.068 62.100 -0.149 0.000 1.144 267 T CB -0.919 67.872 68.868 -0.129 0.000 0.866 267 T HN 0.046 nan 8.240 nan 0.000 0.434 268 L N 0.738 121.852 121.223 -0.183 0.000 2.046 268 L HA -0.066 4.274 4.340 0.000 0.000 0.208 268 L C 3.018 179.882 176.870 -0.010 0.000 1.077 268 L CA 1.185 55.967 54.840 -0.096 0.000 0.747 268 L CB -0.620 41.342 42.059 -0.162 0.000 0.896 268 L HN 0.244 nan 8.230 nan 0.000 0.432 269 A N -0.155 122.647 122.820 -0.030 0.000 1.972 269 A HA -0.225 4.096 4.320 0.000 0.000 0.219 269 A C 1.948 179.551 177.584 0.032 0.000 1.169 269 A CA 1.938 54.012 52.037 0.063 0.000 0.635 269 A CB -0.593 18.484 19.000 0.129 0.000 0.810 269 A HN 0.441 nan 8.150 nan 0.000 0.446 270 N N -0.247 118.450 118.700 -0.004 0.000 2.398 270 N HA 0.001 4.741 4.740 0.000 0.000 0.188 270 N C 0.608 176.117 175.510 -0.002 0.000 1.122 270 N CA 0.728 53.769 53.050 -0.014 0.000 0.866 270 N CB -0.109 38.365 38.487 -0.022 0.000 0.970 270 N HN 0.536 nan 8.380 nan 0.000 0.462 271 S N -2.218 113.499 115.700 0.029 0.000 2.745 271 S HA 0.195 4.666 4.470 0.000 0.000 0.292 271 S C 1.385 175.997 174.600 0.020 0.000 1.133 271 S CA -0.111 58.099 58.200 0.015 0.000 0.998 271 S CB 0.762 63.990 63.200 0.046 0.000 1.087 271 S HN 0.242 nan 8.310 nan 0.000 0.551 272 T N -1.973 112.498 114.554 -0.138 0.000 3.113 272 T HA -0.007 4.344 4.350 0.000 0.000 0.263 272 T C 0.624 175.126 174.700 -0.329 0.000 1.143 272 T CA 0.721 62.703 62.100 -0.196 0.000 1.090 272 T CB -0.715 67.963 68.868 -0.316 0.000 0.922 272 T HN 0.748 nan 8.240 nan 0.000 0.521 273 H N 0.922 119.994 119.070 0.003 0.000 2.507 273 H HA 0.188 4.744 4.556 0.000 0.000 0.294 273 H C 1.487 176.748 175.328 -0.112 0.000 1.064 273 H CA 0.356 56.363 56.048 -0.068 0.000 1.138 273 H CB -0.415 29.332 29.762 -0.025 0.000 1.515 273 H HN 0.834 nan 8.280 nan 0.000 0.547 274 H N -0.749 118.338 119.070 0.027 0.000 2.489 274 H HA -0.034 4.523 4.556 0.000 0.000 0.293 274 H C 1.197 176.528 175.328 0.005 0.000 1.066 274 H CA 0.957 57.010 56.048 0.009 0.000 1.305 274 H CB 0.069 29.827 29.762 -0.007 0.000 1.386 274 H HN 0.030 nan 8.280 nan 0.000 0.551 275 N N 0.811 119.247 118.700 -0.439 0.000 2.494 275 N HA 0.004 4.744 4.740 0.000 0.000 0.182 275 N C -0.168 175.269 175.510 -0.121 0.000 1.076 275 N CA 0.286 53.200 53.050 -0.227 0.000 0.908 275 N CB 0.250 38.577 38.487 -0.267 0.000 0.967 275 N HN 0.190 nan 8.380 nan 0.000 0.449 276 V N 2.920 122.781 119.914 -0.087 0.000 2.655 276 V HA 0.006 4.127 4.120 0.000 0.000 0.300 276 V C 0.854 176.841 176.094 -0.178 0.000 1.044 276 V CA -0.169 62.076 62.300 -0.092 0.000 1.095 276 V CB 0.568 32.373 31.823 -0.029 0.000 0.952 276 V HN 0.108 nan 8.190 nan 0.000 0.485 277 R N 3.322 123.625 120.500 -0.329 0.000 2.459 277 R HA 0.488 4.828 4.340 0.000 0.000 0.281 277 R C -0.590 175.526 176.300 -0.308 0.000 1.050 277 R CA -0.808 55.067 56.100 -0.375 0.000 1.055 277 R CB 0.974 30.901 30.300 -0.622 0.000 1.045 277 R HN 0.514 nan 8.270 nan 0.000 0.495 278 L N 3.416 124.528 121.223 -0.185 0.000 2.287 278 L HA 0.417 4.757 4.340 0.000 0.000 0.287 278 L C -1.047 175.736 176.870 -0.144 0.000 1.022 278 L CA -0.228 54.505 54.840 -0.178 0.000 0.814 278 L CB 1.000 42.957 42.059 -0.169 0.000 1.217 278 L HN 0.434 nan 8.230 nan 0.000 0.420 279 L N 5.851 126.970 121.223 -0.174 0.000 2.325 279 L HA 0.601 4.941 4.340 0.000 0.000 0.278 279 L C 0.267 177.069 176.870 -0.112 0.000 1.023 279 L CA -0.726 54.035 54.840 -0.132 0.000 0.811 279 L CB 1.652 43.626 42.059 -0.142 0.000 1.249 279 L HN 0.756 nan 8.230 nan 0.000 0.431 280 M N 1.712 121.257 119.600 -0.091 0.000 2.649 280 M HA 0.569 5.049 4.480 0.000 0.000 0.294 280 M C 0.542 176.785 176.300 -0.095 0.000 1.206 280 M CA -0.400 54.853 55.300 -0.079 0.000 0.928 280 M CB 1.628 34.200 32.600 -0.048 0.000 1.571 280 M HN 0.513 nan 8.290 nan 0.000 0.501 281 L N 0.307 121.469 121.223 -0.101 0.000 3.782 281 L HA -0.349 3.992 4.340 0.000 0.000 0.053 281 L C 0.276 176.898 176.870 -0.414 0.000 4.256 281 L CA 2.988 57.650 54.840 -0.298 0.000 0.725 281 L CB -1.830 40.071 42.059 -0.264 0.000 3.466 281 L HN 1.189 nan 8.230 nan 0.000 0.901 282 D N 0.537 120.727 120.400 -0.349 0.000 2.697 282 D HA -0.079 4.561 4.640 0.000 0.000 0.238 282 D C -0.436 175.284 176.300 -0.967 0.000 1.152 282 D CA 1.441 55.167 54.000 -0.457 0.000 0.666 282 D CB -0.796 39.823 40.800 -0.302 0.000 1.037 282 D HN 0.741 nan 8.370 nan 0.000 0.423 283 D N -0.851 119.026 120.400 -0.872 0.000 2.692 283 D HA 0.195 4.835 4.640 0.000 0.000 0.303 283 D C -0.528 175.546 176.300 -0.377 0.000 1.278 283 D CA -0.419 53.122 54.000 -0.764 0.000 0.852 283 D CB 0.701 41.075 40.800 -0.711 0.000 1.375 283 D HN 0.261 nan 8.370 nan 0.000 0.453 284 Q N 0.060 119.771 119.800 -0.147 0.000 2.395 284 Q HA 0.175 4.516 4.340 0.000 0.000 0.271 284 Q C 0.970 176.970 176.000 0.000 0.000 1.026 284 Q CA -0.097 55.794 55.803 0.147 0.000 0.900 284 Q CB 1.074 29.979 28.738 0.278 0.000 1.266 284 Q HN 0.438 nan 8.270 nan 0.000 0.430 285 R N 2.097 122.601 120.500 0.008 0.000 2.236 285 R HA -0.019 4.322 4.340 0.000 0.000 0.208 285 R C 1.264 177.461 176.300 -0.171 0.000 1.036 285 R CA 0.830 56.841 56.100 -0.149 0.000 1.001 285 R CB -0.360 29.792 30.300 -0.248 0.000 0.896 285 R HN 0.708 nan 8.270 nan 0.000 0.464 286 L N 1.040 122.171 121.223 -0.153 0.000 2.549 286 L HA -0.029 4.311 4.340 0.000 0.000 0.229 286 L C 1.742 178.599 176.870 -0.021 0.000 1.158 286 L CA 0.644 55.430 54.840 -0.090 0.000 0.842 286 L CB -0.184 41.855 42.059 -0.034 0.000 0.952 286 L HN 0.238 nan 8.230 nan 0.000 0.452 287 L N -0.544 120.650 121.223 -0.048 0.000 2.552 287 L HA 0.017 4.357 4.340 0.000 0.000 0.227 287 L C 0.591 177.534 176.870 0.121 0.000 1.146 287 L CA 0.230 55.071 54.840 0.002 0.000 0.858 287 L CB -0.080 41.782 42.059 -0.329 0.000 0.969 287 L HN 0.192 nan 8.230 nan 0.000 0.451 288 L N 0.221 121.473 121.223 0.049 0.000 2.344 288 L HA 0.295 4.635 4.340 0.000 0.000 0.272 288 L C -1.394 175.530 176.870 0.090 0.000 1.035 288 L CA -1.577 53.317 54.840 0.091 0.000 0.807 288 L CB 1.151 43.232 42.059 0.036 0.000 1.237 288 L HN -0.218 nan 8.230 nan 0.000 0.442 289 P HA -0.043 nan 4.420 nan 0.000 0.245 289 P C 0.999 178.436 177.300 0.228 0.000 1.206 289 P CA 0.548 63.753 63.100 0.174 0.000 0.781 289 P CB 0.104 31.903 31.700 0.165 0.000 0.994 290 H N -0.308 118.851 119.070 0.148 0.000 2.289 290 H HA -0.190 4.366 4.556 0.000 0.000 0.294 290 H C 1.418 176.840 175.328 0.157 0.000 1.095 290 H CA 2.216 58.349 56.048 0.142 0.000 1.256 290 H CB -0.901 28.940 29.762 0.132 0.000 1.359 290 H HN 0.033 nan 8.280 nan 0.000 0.487 291 W N 0.478 121.713 121.300 -0.109 0.000 2.338 291 W HA -0.096 4.564 4.660 0.000 0.000 0.304 291 W C 2.933 179.325 176.519 -0.211 0.000 1.212 291 W CA 2.124 59.351 57.345 -0.196 0.000 1.264 291 W CB -0.924 28.474 29.460 -0.104 0.000 1.142 291 W HN 0.385 nan 8.180 nan 0.000 0.512 292 A N 0.119 122.987 122.820 0.080 0.000 1.877 292 A HA -0.240 4.080 4.320 0.000 0.000 0.216 292 A C 1.939 179.355 177.584 -0.279 0.000 1.186 292 A CA 2.079 54.035 52.037 -0.135 0.000 0.620 292 A CB -0.735 18.244 19.000 -0.035 0.000 0.822 292 A HN 0.297 nan 8.150 nan 0.000 0.443 293 K N -0.523 119.890 120.400 0.021 0.000 2.044 293 K HA -0.125 4.195 4.320 0.000 0.000 0.210 293 K C 1.886 178.433 176.600 -0.088 0.000 1.049 293 K CA 1.664 58.022 56.287 0.118 0.000 0.927 293 K CB -0.450 32.144 32.500 0.157 0.000 0.713 293 K HN 0.305 nan 8.250 nan 0.000 0.443 294 V N 0.631 120.389 119.914 -0.259 0.000 2.261 294 V HA -0.229 3.891 4.120 0.000 0.000 0.246 294 V C 2.216 178.178 176.094 -0.220 0.000 1.047 294 V CA 1.648 63.775 62.300 -0.288 0.000 1.015 294 V CB -0.325 31.205 31.823 -0.489 0.000 0.642 294 V HN 0.104 nan 8.190 nan 0.000 0.446 295 V N -0.488 119.283 119.914 -0.238 0.000 2.323 295 V HA -0.132 3.988 4.120 0.000 0.000 0.244 295 V C 2.136 178.112 176.094 -0.197 0.000 1.041 295 V CA 1.626 63.814 62.300 -0.188 0.000 1.025 295 V CB -0.446 31.289 31.823 -0.147 0.000 0.656 295 V HN 0.418 nan 8.190 nan 0.000 0.451 296 L N 0.740 121.769 121.223 -0.323 0.000 2.492 296 L HA -0.024 4.316 4.340 0.000 0.000 0.223 296 L C 2.322 179.087 176.870 -0.175 0.000 1.132 296 L CA 1.376 55.978 54.840 -0.397 0.000 0.850 296 L CB -0.649 40.834 42.059 -0.959 0.000 0.966 296 L HN 0.553 nan 8.230 nan 0.000 0.454 297 T N -4.783 109.734 114.554 -0.062 0.000 3.169 297 T HA -0.021 4.329 4.350 0.000 0.000 0.250 297 T C 0.457 175.156 174.700 -0.001 0.000 1.111 297 T CA -0.251 61.881 62.100 0.053 0.000 1.010 297 T CB -0.222 68.705 68.868 0.098 0.000 0.984 297 T HN 0.015 nan 8.240 nan 0.000 0.537 298 D N 1.839 122.216 120.400 -0.039 0.000 2.427 298 D HA 0.339 4.979 4.640 0.000 0.000 0.226 298 D C -1.949 174.327 176.300 -0.041 0.000 1.076 298 D CA -2.730 51.249 54.000 -0.036 0.000 0.849 298 D CB 2.023 42.797 40.800 -0.043 0.000 1.052 298 D HN -0.052 nan 8.370 nan 0.000 0.515 299 P HA -0.119 nan 4.420 nan 0.000 0.218 299 P C 0.880 178.136 177.300 -0.075 0.000 1.148 299 P CA 0.883 63.951 63.100 -0.053 0.000 0.822 299 P CB 0.444 32.117 31.700 -0.044 0.000 0.784 300 E N -0.782 119.391 120.200 -0.046 0.000 2.208 300 E HA -0.028 4.323 4.350 0.000 0.000 0.193 300 E C 1.919 178.541 176.600 0.036 0.000 0.988 300 E CA 1.071 57.456 56.400 -0.025 0.000 0.828 300 E CB -0.700 29.007 29.700 0.012 0.000 0.763 300 E HN 0.226 nan 8.360 nan 0.000 0.478 301 A N 1.327 124.158 122.820 0.019 0.000 1.887 301 A HA 0.204 4.524 4.320 0.000 0.000 0.212 301 A C 2.401 179.984 177.584 -0.001 0.000 1.198 301 A CA 1.208 53.274 52.037 0.048 0.000 0.628 301 A CB -0.516 18.476 19.000 -0.013 0.000 0.847 301 A HN 0.225 nan 8.150 nan 0.000 0.449 302 A N 1.424 124.203 122.820 -0.068 0.000 1.986 302 A HA -0.230 4.090 4.320 0.000 0.000 0.220 302 A C 2.077 179.593 177.584 -0.113 0.000 1.171 302 A CA 2.081 54.060 52.037 -0.097 0.000 0.640 302 A CB -0.616 18.327 19.000 -0.096 0.000 0.811 302 A HN 0.678 nan 8.150 nan 0.000 0.451 303 K N -1.648 118.635 120.400 -0.196 0.000 2.362 303 K HA -0.131 4.189 4.320 0.000 0.000 0.200 303 K C 1.111 177.508 176.600 -0.338 0.000 1.046 303 K CA 1.580 57.686 56.287 -0.302 0.000 0.952 303 K CB -0.391 31.839 32.500 -0.449 0.000 0.753 303 K HN 0.613 nan 8.250 nan 0.000 0.466 304 Y N 1.103 121.356 120.300 -0.079 0.000 2.449 304 Y HA 0.164 4.714 4.550 0.001 0.000 0.254 304 Y C 0.490 176.332 175.900 -0.095 0.000 1.140 304 Y CA -0.688 57.355 58.100 -0.095 0.000 1.272 304 Y CB 1.107 39.485 38.460 -0.136 0.000 1.114 304 Y HN -0.227 nan 8.280 nan 0.000 0.525 305 V N 0.940 120.876 119.914 0.035 0.000 2.348 305 V HA 0.015 4.135 4.120 0.000 0.000 0.270 305 V C 0.710 176.810 176.094 0.010 0.000 1.037 305 V CA -0.272 62.022 62.300 -0.010 0.000 0.872 305 V CB 0.803 32.589 31.823 -0.062 0.000 1.002 305 V HN 0.318 nan 8.190 nan 0.000 0.464 306 H N 4.061 123.083 119.070 -0.080 0.000 2.436 306 H HA 0.351 4.907 4.556 0.000 0.000 0.294 306 H C 0.801 176.103 175.328 -0.042 0.000 1.048 306 H CA 1.079 57.088 56.048 -0.064 0.000 1.353 306 H CB 0.523 30.227 29.762 -0.098 0.000 1.414 306 H HN 0.749 nan 8.280 nan 0.000 0.536 307 G N -0.955 107.753 108.800 -0.153 0.000 2.559 307 G HA2 0.426 4.386 3.960 0.000 0.000 0.291 307 G HA3 0.426 4.386 3.960 0.000 0.000 0.291 307 G C -1.664 173.191 174.900 -0.074 0.000 1.424 307 G CA -0.669 44.331 45.100 -0.166 0.000 0.786 307 G HN 0.127 nan 8.290 nan 0.000 0.485 308 I N 1.134 121.693 120.570 -0.019 0.000 2.389 308 I HA 0.579 4.749 4.170 0.000 0.000 0.288 308 I C 0.490 176.640 176.117 0.055 0.000 0.999 308 I CA -0.722 60.574 61.300 -0.007 0.000 1.129 308 I CB 1.976 39.972 38.000 -0.007 0.000 1.288 308 I HN 0.653 nan 8.210 nan 0.000 0.444 309 A N 6.736 129.576 122.820 0.033 0.000 2.290 309 A HA 0.767 5.088 4.320 0.000 0.000 0.310 309 A C -0.329 177.250 177.584 -0.008 0.000 1.202 309 A CA -0.485 51.614 52.037 0.104 0.000 0.837 309 A CB 0.914 19.989 19.000 0.125 0.000 1.139 309 A HN 0.617 nan 8.150 nan 0.000 0.509 310 V N 0.934 120.859 119.914 0.017 0.000 2.769 310 V HA 0.645 4.765 4.120 0.000 0.000 0.312 310 V C -0.503 175.651 176.094 0.099 0.000 1.061 310 V CA -0.697 61.592 62.300 -0.019 0.000 0.931 310 V CB 1.271 33.073 31.823 -0.036 0.000 1.010 310 V HN 0.918 nan 8.190 nan 0.000 0.433 311 H N 3.282 122.295 119.070 -0.095 0.000 2.529 311 H HA 0.501 5.057 4.556 0.000 0.000 0.348 311 H C -1.478 173.943 175.328 0.155 0.000 1.152 311 H CA -0.566 55.426 56.048 -0.094 0.000 1.202 311 H CB 2.296 32.019 29.762 -0.064 0.000 1.562 311 H HN 0.837 nan 8.280 nan 0.000 0.515 312 W N 3.199 124.402 121.300 -0.162 0.000 3.127 312 W HA 0.241 4.901 4.660 0.001 0.000 0.330 312 W C -1.854 174.594 176.519 -0.117 0.000 1.187 312 W CA -0.814 56.524 57.345 -0.011 0.000 1.198 312 W CB 1.891 31.362 29.460 0.019 0.000 1.408 312 W HN 0.617 nan 8.180 nan 0.000 0.529 313 Y N 5.289 125.038 120.300 -0.918 0.000 2.504 313 Y HA 0.150 4.701 4.550 0.001 0.000 0.339 313 Y C 1.340 176.805 175.900 -0.726 0.000 0.974 313 Y CA -0.394 57.341 58.100 -0.609 0.000 1.232 313 Y CB 0.881 39.123 38.460 -0.362 0.000 1.108 313 Y HN 0.236 nan 8.280 nan 0.000 0.509 314 L N 1.552 122.650 121.223 -0.209 0.000 2.265 314 L HA -0.184 4.156 4.340 0.000 0.000 0.215 314 L C 0.861 177.739 176.870 0.013 0.000 1.117 314 L CA 1.161 56.011 54.840 0.018 0.000 0.782 314 L CB -0.302 41.832 42.059 0.125 0.000 0.914 314 L HN 0.666 nan 8.230 nan 0.000 0.441 315 D N -0.397 119.916 120.400 -0.145 0.000 2.309 315 D HA -0.092 4.548 4.640 0.000 0.000 0.212 315 D C 0.221 176.232 176.300 -0.481 0.000 0.968 315 D CA 0.982 54.750 54.000 -0.387 0.000 0.882 315 D CB -0.049 40.331 40.800 -0.701 0.000 0.918 315 D HN 0.175 nan 8.370 nan 0.000 0.503 316 F N -0.190 119.779 119.950 0.030 0.000 2.523 316 F HA 0.423 4.950 4.527 0.000 0.000 0.329 316 F C 0.191 176.325 175.800 0.556 0.000 1.061 316 F CA -1.350 56.761 58.000 0.184 0.000 0.967 316 F CB 1.186 40.158 39.000 -0.046 0.000 1.218 316 F HN -0.333 nan 8.300 nan 0.000 0.480 317 L N 2.112 123.756 121.223 0.701 0.000 2.350 317 L HA 0.693 5.033 4.340 0.000 0.000 0.275 317 L C -0.252 176.884 176.870 0.444 0.000 1.099 317 L CA -0.701 54.450 54.840 0.517 0.000 0.808 317 L CB 1.208 43.445 42.059 0.297 0.000 1.149 317 L HN 0.748 nan 8.230 nan 0.000 0.442 318 A N 4.209 127.051 122.820 0.038 0.000 2.741 318 A HA 0.535 4.855 4.320 0.000 0.000 0.298 318 A C -2.570 174.832 177.584 -0.302 0.000 1.153 318 A CA -1.088 50.733 52.037 -0.359 0.000 0.816 318 A CB 0.402 18.662 19.000 -1.233 0.000 1.396 318 A HN 0.414 nan 8.150 nan 0.000 0.407 319 P HA 0.089 nan 4.420 nan 0.000 0.257 319 P C 1.173 178.309 177.300 -0.273 0.000 1.162 319 P CA 1.030 64.035 63.100 -0.158 0.000 0.762 319 P CB 0.891 32.538 31.700 -0.088 0.000 0.753 320 A N 5.084 127.675 122.820 -0.381 0.000 1.929 320 A HA -0.177 4.143 4.320 0.000 0.000 0.216 320 A C 2.100 179.247 177.584 -0.729 0.000 1.176 320 A CA 1.391 53.054 52.037 -0.624 0.000 0.628 320 A CB -0.716 17.759 19.000 -0.874 0.000 0.816 320 A HN 0.495 nan 8.150 nan 0.000 0.444 321 K N -0.176 119.837 120.400 -0.645 0.000 2.032 321 K HA -0.135 4.185 4.320 0.000 0.000 0.209 321 K C 1.999 178.527 176.600 -0.120 0.000 1.048 321 K CA 1.371 57.480 56.287 -0.298 0.000 0.927 321 K CB -0.302 32.183 32.500 -0.025 0.000 0.712 321 K HN 0.375 nan 8.250 nan 0.000 0.441 322 A N 0.145 122.896 122.820 -0.116 0.000 2.119 322 A HA -0.080 4.241 4.320 0.000 0.000 0.217 322 A C 1.858 179.410 177.584 -0.053 0.000 1.153 322 A CA 1.799 53.803 52.037 -0.055 0.000 0.692 322 A CB -0.417 18.554 19.000 -0.048 0.000 0.799 322 A HN 0.653 nan 8.150 nan 0.000 0.458 323 T N -2.991 111.498 114.554 -0.108 0.000 3.391 323 T HA 0.204 4.554 4.350 0.000 0.000 0.233 323 T C 1.804 176.479 174.700 -0.042 0.000 0.960 323 T CA 0.579 62.627 62.100 -0.086 0.000 1.342 323 T CB -0.662 68.106 68.868 -0.165 0.000 1.124 323 T HN 0.110 nan 8.240 nan 0.000 0.396 324 L N 1.476 122.645 121.223 -0.090 0.000 2.027 324 L HA 0.151 4.491 4.340 0.000 0.000 0.206 324 L C 3.170 180.141 176.870 0.167 0.000 1.074 324 L CA 1.606 56.463 54.840 0.028 0.000 0.745 324 L CB -1.166 40.895 42.059 0.003 0.000 0.898 324 L HN 0.581 nan 8.230 nan 0.000 0.433 325 G N -0.229 108.653 108.800 0.138 0.000 2.446 325 G HA2 -0.335 3.625 3.960 0.000 0.000 0.217 325 G HA3 -0.335 3.625 3.960 0.000 0.000 0.217 325 G C 1.483 176.510 174.900 0.212 0.000 1.168 325 G CA 1.011 46.308 45.100 0.328 0.000 0.771 325 G HN 0.316 nan 8.290 nan 0.000 0.551 326 E N 0.237 120.506 120.200 0.115 0.000 2.106 326 E HA -0.047 4.304 4.350 0.000 0.000 0.192 326 E C 2.659 179.305 176.600 0.077 0.000 0.984 326 E CA 1.525 57.971 56.400 0.077 0.000 0.806 326 E CB -0.578 29.152 29.700 0.050 0.000 0.750 326 E HN 0.316 nan 8.360 nan 0.000 0.458 327 T N 0.144 114.769 114.554 0.118 0.000 2.746 327 T HA -0.184 4.167 4.350 0.000 0.000 0.267 327 T C 1.628 176.418 174.700 0.149 0.000 1.039 327 T CA 1.420 63.625 62.100 0.174 0.000 1.142 327 T CB -0.505 68.467 68.868 0.173 0.000 0.866 327 T HN 0.377 nan 8.240 nan 0.000 0.444 328 H N 1.350 120.436 119.070 0.028 0.000 2.353 328 H HA 0.011 4.567 4.556 0.000 0.000 0.300 328 H C 2.608 177.864 175.328 -0.120 0.000 1.090 328 H CA 1.570 57.555 56.048 -0.105 0.000 1.327 328 H CB -0.087 29.407 29.762 -0.446 0.000 1.383 328 H HN 0.235 nan 8.280 nan 0.000 0.508 329 R N 0.275 120.735 120.500 -0.068 0.000 2.073 329 R HA -0.097 4.243 4.340 0.000 0.000 0.234 329 R C 2.717 178.873 176.300 -0.241 0.000 1.134 329 R CA 1.426 57.459 56.100 -0.113 0.000 0.952 329 R CB -0.098 30.197 30.300 -0.009 0.000 0.850 329 R HN 0.321 nan 8.270 nan 0.000 0.433 330 L N -0.751 120.296 121.223 -0.292 0.000 2.156 330 L HA -0.021 4.319 4.340 0.000 0.000 0.208 330 L C 0.338 176.603 176.870 -1.007 0.000 1.095 330 L CA 0.830 55.291 54.840 -0.633 0.000 0.770 330 L CB 0.132 41.780 42.059 -0.684 0.000 0.914 330 L HN 0.098 nan 8.230 nan 0.000 0.439 331 F N -0.574 119.298 119.950 -0.130 0.000 2.622 331 F HA 0.295 4.822 4.527 0.000 0.000 0.338 331 F C -1.708 173.948 175.800 -0.240 0.000 1.334 331 F CA -1.492 56.425 58.000 -0.138 0.000 1.179 331 F CB 0.516 39.467 39.000 -0.082 0.000 1.471 331 F HN -0.172 nan 8.300 nan 0.000 0.576 332 P HA -0.068 nan 4.420 nan 0.000 0.233 332 P C 0.331 177.497 177.300 -0.222 0.000 1.167 332 P CA 1.102 63.866 63.100 -0.560 0.000 0.770 332 P CB 0.387 31.814 31.700 -0.454 0.000 0.837 333 N N -0.667 117.991 118.700 -0.070 0.000 2.235 333 N HA 0.064 4.804 4.740 0.000 0.000 0.209 333 N C -0.177 175.337 175.510 0.007 0.000 1.122 333 N CA 0.382 53.429 53.050 -0.005 0.000 0.845 333 N CB 0.506 38.997 38.487 0.005 0.000 1.004 333 N HN 0.043 nan 8.380 nan 0.000 0.499 334 T N 2.217 116.780 114.554 0.015 0.000 2.791 334 T HA 0.327 4.677 4.350 0.000 0.000 0.288 334 T C 0.407 175.107 174.700 0.000 0.000 0.999 334 T CA -0.732 61.354 62.100 -0.022 0.000 0.952 334 T CB 1.154 70.006 68.868 -0.027 0.000 0.938 334 T HN 0.091 nan 8.240 nan 0.000 0.444 335 M N 3.484 123.050 119.600 -0.056 0.000 2.252 335 M HA 0.445 4.926 4.480 0.000 0.000 0.333 335 M C -0.949 175.400 176.300 0.082 0.000 1.111 335 M CA 0.226 55.546 55.300 0.033 0.000 1.140 335 M CB -0.266 32.341 32.600 0.010 0.000 1.538 335 M HN 0.347 nan 8.290 nan 0.000 0.448 336 L N 3.620 124.937 121.223 0.157 0.000 2.309 336 L HA 0.691 5.031 4.340 0.000 0.000 0.282 336 L C -1.060 175.952 176.870 0.237 0.000 1.036 336 L CA -0.249 54.691 54.840 0.167 0.000 0.806 336 L CB 1.214 43.369 42.059 0.160 0.000 1.220 336 L HN 0.820 nan 8.230 nan 0.000 0.429 337 F N 2.536 122.515 119.950 0.047 0.000 2.585 337 F HA 0.648 5.175 4.527 0.000 0.000 0.319 337 F C -0.338 175.467 175.800 0.008 0.000 1.165 337 F CA -0.778 57.255 58.000 0.055 0.000 0.949 337 F CB 1.358 40.438 39.000 0.133 0.000 1.218 337 F HN 0.432 nan 8.300 nan 0.000 0.453 338 A N 3.753 126.189 122.820 -0.640 0.000 2.376 338 A HA 0.440 4.761 4.320 0.000 0.000 0.298 338 A C 0.625 177.734 177.584 -0.793 0.000 1.271 338 A CA 0.324 52.007 52.037 -0.589 0.000 0.926 338 A CB -0.204 18.451 19.000 -0.575 0.000 1.141 338 A HN 0.981 nan 8.150 nan 0.000 0.539 339 S N 1.244 116.746 115.700 -0.331 0.000 2.517 339 S HA 0.225 4.695 4.470 0.000 0.000 0.214 339 S C 0.329 174.753 174.600 -0.294 0.000 0.991 339 S CA 0.292 58.441 58.200 -0.086 0.000 0.906 339 S CB 0.114 63.462 63.200 0.245 0.000 0.789 339 S HN 0.795 nan 8.310 nan 0.000 0.513 340 E N -0.261 119.586 120.200 -0.588 0.000 2.388 340 E HA 0.595 4.945 4.350 0.000 0.000 0.289 340 E C -1.908 174.179 176.600 -0.855 0.000 0.944 340 E CA -0.485 55.436 56.400 -0.798 0.000 0.792 340 E CB 1.813 30.706 29.700 -1.345 0.000 1.239 340 E HN 0.321 nan 8.360 nan 0.000 0.412 341 A N 2.231 124.550 122.820 -0.834 0.000 2.435 341 A HA 0.903 5.224 4.320 0.000 0.000 0.304 341 A C -0.813 176.472 177.584 -0.497 0.000 1.064 341 A CA -0.434 51.136 52.037 -0.778 0.000 0.727 341 A CB 0.982 19.288 19.000 -1.157 0.000 1.284 341 A HN 0.868 nan 8.150 nan 0.000 0.415 342 C N -0.558 118.494 119.300 -0.413 0.000 3.321 342 C HA 0.898 5.358 4.460 0.000 0.000 0.329 342 C C -0.980 173.986 174.990 -0.040 0.000 1.394 342 C CA -0.713 58.230 59.018 -0.125 0.000 1.291 342 C CB 0.816 28.481 27.740 -0.125 0.000 1.606 342 C HN 1.507 nan 8.230 nan 0.000 0.463 343 V N 0.614 120.577 119.914 0.081 0.000 3.007 343 V HA 0.883 5.003 4.120 0.000 0.000 0.311 343 V C 0.677 176.757 176.094 -0.025 0.000 1.120 343 V CA 1.151 63.484 62.300 0.055 0.000 0.980 343 V CB 1.814 33.732 31.823 0.158 0.000 1.033 343 V HN 2.671 nan 8.190 nan 0.000 0.429 344 G N 3.199 111.949 108.800 -0.082 0.000 2.184 344 G HA2 -0.216 3.744 3.960 0.000 0.000 0.206 344 G HA3 -0.216 3.744 3.960 0.000 0.000 0.206 344 G C 0.889 175.739 174.900 -0.085 0.000 0.995 344 G CA 0.989 46.007 45.100 -0.137 0.000 0.651 344 G HN 1.770 nan 8.290 nan 0.000 0.511 345 S N -0.287 115.439 115.700 0.044 0.000 2.489 345 S HA 0.241 4.711 4.470 0.000 0.000 0.228 345 S C 1.147 175.860 174.600 0.187 0.000 0.995 345 S CA 0.940 59.327 58.200 0.311 0.000 0.934 345 S CB 0.176 63.758 63.200 0.638 0.000 0.771 345 S HN 0.591 nan 8.310 nan 0.000 0.522 346 K N 0.939 121.273 120.400 -0.109 0.000 2.336 346 K HA 0.148 4.468 4.320 0.000 0.000 0.262 346 K C 1.061 177.550 176.600 -0.185 0.000 0.992 346 K CA 0.219 56.399 56.287 -0.179 0.000 0.927 346 K CB 0.162 32.310 32.500 -0.586 0.000 0.956 346 K HN 0.376 nan 8.250 nan 0.000 0.495 347 F N 1.316 121.251 119.950 -0.026 0.000 2.161 347 F HA -0.163 4.365 4.527 0.001 0.000 0.300 347 F C 1.563 177.418 175.800 0.091 0.000 1.089 347 F CA 0.736 58.781 58.000 0.076 0.000 1.282 347 F CB -0.380 38.715 39.000 0.158 0.000 1.010 347 F HN 0.645 nan 8.300 nan 0.000 0.485 348 W N 1.767 122.432 121.300 -1.057 0.000 3.003 348 W HA 0.299 4.959 4.660 0.000 0.000 0.257 348 W C -0.433 175.880 176.519 -0.343 0.000 1.308 348 W CA -0.309 56.516 57.345 -0.868 0.000 1.529 348 W CB -1.311 27.456 29.460 -1.156 0.000 1.115 348 W HN 0.126 nan 8.180 nan 0.000 0.659 349 E N 2.643 122.454 120.200 -0.648 0.000 2.289 349 E HA 0.123 4.473 4.350 0.000 0.000 0.278 349 E C -0.433 176.043 176.600 -0.207 0.000 1.032 349 E CA -0.302 55.803 56.400 -0.492 0.000 0.854 349 E CB 0.850 30.134 29.700 -0.692 0.000 1.046 349 E HN 0.072 nan 8.360 nan 0.000 0.409 350 Q N 1.528 121.252 119.800 -0.128 0.000 2.286 350 Q HA -0.011 4.329 4.340 0.000 0.000 0.290 350 Q C 0.760 176.700 176.000 -0.099 0.000 1.049 350 Q CA 0.056 55.817 55.803 -0.071 0.000 0.923 350 Q CB 0.623 29.327 28.738 -0.057 0.000 1.183 350 Q HN 0.504 nan 8.270 nan 0.000 0.383 351 S N 1.089 116.763 115.700 -0.043 0.000 2.359 351 S HA -0.072 4.398 4.470 0.000 0.000 0.224 351 S C 0.685 175.238 174.600 -0.079 0.000 1.035 351 S CA 0.683 58.860 58.200 -0.039 0.000 1.018 351 S CB 0.307 63.520 63.200 0.022 0.000 0.876 351 S HN 0.440 nan 8.310 nan 0.000 0.448 352 V N 1.743 121.611 119.914 -0.076 0.000 2.417 352 V HA 0.459 4.579 4.120 0.000 0.000 0.291 352 V C -0.027 175.966 176.094 -0.170 0.000 1.024 352 V CA -0.595 61.640 62.300 -0.108 0.000 0.861 352 V CB 1.470 33.248 31.823 -0.075 0.000 0.985 352 V HN 0.162 nan 8.190 nan 0.000 0.436 353 R N 4.562 124.900 120.500 -0.271 0.000 2.477 353 R HA 0.460 4.800 4.340 0.000 0.000 0.285 353 R C -0.836 175.246 176.300 -0.364 0.000 1.415 353 R CA -0.600 55.163 56.100 -0.561 0.000 1.446 353 R CB 0.620 30.494 30.300 -0.709 0.000 1.110 353 R HN 0.702 nan 8.270 nan 0.000 0.590 354 L N 3.004 124.142 121.223 -0.142 0.000 2.745 354 L HA 0.017 4.357 4.340 0.000 0.000 0.273 354 L C 1.267 178.230 176.870 0.154 0.000 1.156 354 L CA 1.146 55.925 54.840 -0.102 0.000 0.982 354 L CB 0.509 42.227 42.059 -0.567 0.000 1.295 354 L HN 0.982 nan 8.230 nan 0.000 0.483 355 G N 2.007 110.875 108.800 0.113 0.000 2.131 355 G HA2 -0.277 3.683 3.960 0.000 0.000 0.223 355 G HA3 -0.277 3.683 3.960 0.000 0.000 0.223 355 G C 0.381 175.400 174.900 0.199 0.000 0.990 355 G CA 0.158 45.381 45.100 0.205 0.000 0.671 355 G HN 0.653 nan 8.290 nan 0.000 0.521 356 S N 0.005 115.742 115.700 0.061 0.000 2.506 356 S HA 0.165 4.635 4.470 0.000 0.000 0.291 356 S C 1.349 176.008 174.600 0.097 0.000 1.230 356 S CA 0.555 58.770 58.200 0.026 0.000 1.107 356 S CB -0.190 62.925 63.200 -0.141 0.000 0.942 356 S HN 0.450 nan 8.310 nan 0.000 0.502 357 W N 4.690 125.982 121.300 -0.014 0.000 2.381 357 W HA -0.147 4.513 4.660 0.000 0.000 0.301 357 W C 1.498 177.977 176.519 -0.068 0.000 1.205 357 W CA 1.484 58.820 57.345 -0.014 0.000 1.285 357 W CB -0.367 29.083 29.460 -0.017 0.000 1.133 357 W HN 0.808 nan 8.180 nan 0.000 0.521 358 D N 0.120 120.530 120.400 0.017 0.000 2.133 358 D HA -0.225 4.415 4.640 0.000 0.000 0.192 358 D C 2.238 178.442 176.300 -0.161 0.000 1.001 358 D CA 1.891 55.857 54.000 -0.056 0.000 0.844 358 D CB -0.200 40.599 40.800 -0.000 0.000 0.944 358 D HN 0.147 nan 8.370 nan 0.000 0.447 359 R N -0.503 119.895 120.500 -0.170 0.000 2.092 359 R HA 0.000 4.340 4.340 0.000 0.000 0.231 359 R C 2.495 178.621 176.300 -0.291 0.000 1.119 359 R CA 1.115 57.111 56.100 -0.172 0.000 0.970 359 R CB -0.531 29.664 30.300 -0.175 0.000 0.864 359 R HN 0.199 nan 8.270 nan 0.000 0.440 360 G N 1.175 109.667 108.800 -0.513 0.000 2.446 360 G HA2 -0.270 3.691 3.960 0.000 0.000 0.217 360 G HA3 -0.270 3.691 3.960 0.000 0.000 0.217 360 G C 1.468 175.628 174.900 -1.233 0.000 1.168 360 G CA 0.715 45.266 45.100 -0.916 0.000 0.771 360 G HN 0.148 nan 8.290 nan 0.000 0.551 361 M N 0.017 118.982 119.600 -1.060 0.000 2.159 361 M HA -0.121 4.360 4.480 0.000 0.000 0.263 361 M C 2.790 179.028 176.300 -0.104 0.000 1.063 361 M CA 1.402 56.413 55.300 -0.480 0.000 1.110 361 M CB -0.424 32.044 32.600 -0.221 0.000 1.374 361 M HN 0.298 nan 8.290 nan 0.000 0.411 362 Q N -0.656 119.116 119.800 -0.046 0.000 2.124 362 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 362 Q C 1.896 178.021 176.000 0.209 0.000 0.977 362 Q CA 1.546 57.431 55.803 0.135 0.000 0.850 362 Q CB -0.253 28.570 28.738 0.142 0.000 0.901 362 Q HN 0.474 nan 8.270 nan 0.000 0.429 363 Y N 0.984 121.248 120.300 -0.059 0.000 2.089 363 Y HA -0.262 4.288 4.550 0.000 0.000 0.282 363 Y C 2.928 178.660 175.900 -0.279 0.000 1.139 363 Y CA 1.559 59.600 58.100 -0.099 0.000 1.123 363 Y CB -0.739 37.675 38.460 -0.076 0.000 0.980 363 Y HN 0.183 nan 8.280 nan 0.000 0.493 364 S N -1.097 114.642 115.700 0.066 0.000 2.368 364 S HA -0.269 4.201 4.470 0.000 0.000 0.225 364 S C 2.028 176.643 174.600 0.025 0.000 1.030 364 S CA 1.482 59.749 58.200 0.111 0.000 0.999 364 S CB -1.071 62.455 63.200 0.544 0.000 0.844 364 S HN 0.644 nan 8.310 nan 0.000 0.459 365 H N 1.131 120.214 119.070 0.021 0.000 2.352 365 H HA -0.083 4.473 4.556 0.000 0.000 0.299 365 H C 2.395 177.712 175.328 -0.019 0.000 1.097 365 H CA 1.728 57.796 56.048 0.032 0.000 1.311 365 H CB -0.394 29.407 29.762 0.065 0.000 1.377 365 H HN 0.543 nan 8.280 nan 0.000 0.504 366 S N -0.034 115.574 115.700 -0.152 0.000 2.368 366 S HA -0.094 4.376 4.470 0.000 0.000 0.225 366 S C 2.380 176.806 174.600 -0.290 0.000 1.030 366 S CA 1.185 59.312 58.200 -0.123 0.000 0.999 366 S CB -0.288 63.015 63.200 0.171 0.000 0.844 366 S HN 0.429 nan 8.310 nan 0.000 0.459 367 I N 1.167 121.290 120.570 -0.745 0.000 2.179 367 I HA -0.183 3.987 4.170 0.000 0.000 0.242 367 I C 2.199 177.995 176.117 -0.536 0.000 1.088 367 I CA 1.310 61.986 61.300 -1.040 0.000 1.357 367 I CB -0.416 36.538 38.000 -1.742 0.000 1.051 367 I HN 0.324 nan 8.210 nan 0.000 0.409 368 I N 0.312 120.645 120.570 -0.396 0.000 2.163 368 I HA -0.321 3.849 4.170 0.000 0.000 0.243 368 I C 2.589 178.637 176.117 -0.115 0.000 1.085 368 I CA 1.749 62.977 61.300 -0.119 0.000 1.347 368 I CB -0.686 37.338 38.000 0.040 0.000 1.044 368 I HN 0.251 nan 8.210 nan 0.000 0.408 369 T N 0.647 115.096 114.554 -0.174 0.000 2.684 369 T HA -0.191 4.159 4.350 0.000 0.000 0.267 369 T C 1.746 176.472 174.700 0.043 0.000 1.036 369 T CA 1.618 63.677 62.100 -0.069 0.000 1.148 369 T CB -0.453 68.303 68.868 -0.186 0.000 0.863 369 T HN 0.354 nan 8.240 nan 0.000 0.436 370 N N 1.113 119.813 118.700 -0.000 0.000 2.036 370 N HA -0.080 4.661 4.740 0.000 0.000 0.195 370 N C 1.967 177.489 175.510 0.019 0.000 1.037 370 N CA 1.282 54.364 53.050 0.054 0.000 0.855 370 N CB -0.434 38.138 38.487 0.141 0.000 1.033 370 N HN 0.338 nan 8.380 nan 0.000 0.423 371 L N 1.174 122.378 121.223 -0.032 0.000 2.131 371 L HA -0.115 4.225 4.340 0.000 0.000 0.210 371 L C 2.279 179.049 176.870 -0.166 0.000 1.092 371 L CA 0.704 55.515 54.840 -0.048 0.000 0.759 371 L CB -0.366 41.698 42.059 0.007 0.000 0.903 371 L HN 0.158 nan 8.230 nan 0.000 0.435 372 L N -1.642 119.458 121.223 -0.205 0.000 2.376 372 L HA -0.155 4.185 4.340 0.000 0.000 0.219 372 L C 0.706 177.096 176.870 -0.800 0.000 1.133 372 L CA 0.823 55.393 54.840 -0.449 0.000 0.816 372 L CB -0.132 41.708 42.059 -0.366 0.000 0.933 372 L HN 0.260 nan 8.230 nan 0.000 0.449 373 Y N -0.954 119.139 120.300 -0.346 0.000 2.722 373 Y HA 0.229 4.779 4.550 0.001 0.000 0.314 373 Y C 0.448 176.202 175.900 -0.244 0.000 1.008 373 Y CA -0.643 57.229 58.100 -0.381 0.000 1.294 373 Y CB -0.384 38.004 38.460 -0.120 0.000 1.231 373 Y HN 0.157 nan 8.280 nan 0.000 0.558 374 H N -3.121 115.898 119.070 -0.085 0.000 3.636 374 H HA -0.149 4.407 4.556 0.000 0.000 0.179 374 H C 0.095 175.437 175.328 0.025 0.000 0.968 374 H CA 0.548 56.547 56.048 -0.083 0.000 1.220 374 H CB -1.613 28.024 29.762 -0.208 0.000 1.023 374 H HN 0.103 nan 8.280 nan 0.000 0.366 375 V N 2.900 122.884 119.914 0.117 0.000 2.637 375 V HA 0.049 4.169 4.120 0.000 0.000 0.296 375 V C 2.025 178.165 176.094 0.078 0.000 1.046 375 V CA 0.699 63.062 62.300 0.104 0.000 1.066 375 V CB 1.561 33.421 31.823 0.062 0.000 0.968 375 V HN 0.341 nan 8.190 nan 0.000 0.483 376 V N 1.609 121.595 119.914 0.121 0.000 3.650 376 V HA 0.625 4.745 4.120 0.000 0.000 0.271 376 V C 0.715 176.825 176.094 0.027 0.000 1.281 376 V CA 1.008 63.376 62.300 0.114 0.000 1.120 376 V CB -0.249 31.687 31.823 0.189 0.000 0.856 376 V HN 0.964 nan 8.190 nan 0.000 0.443 377 G N -1.500 107.253 108.800 -0.079 0.000 2.608 377 G HA2 0.488 4.449 3.960 0.000 0.000 0.291 377 G HA3 0.488 4.449 3.960 0.000 0.000 0.291 377 G C -2.637 171.886 174.900 -0.628 0.000 1.425 377 G CA -0.610 44.241 45.100 -0.415 0.000 0.787 377 G HN 0.316 nan 8.290 nan 0.000 0.484 378 W N 0.536 121.337 121.300 -0.832 0.000 3.211 378 W HA 0.609 5.269 4.660 0.001 0.000 0.335 378 W C -0.959 175.321 176.519 -0.400 0.000 1.113 378 W CA -0.415 56.596 57.345 -0.557 0.000 1.235 378 W CB 2.378 31.673 29.460 -0.276 0.000 1.365 378 W HN 0.572 nan 8.180 nan 0.000 0.476 379 T N 4.243 118.481 114.554 -0.525 0.000 2.890 379 T HA 0.130 4.480 4.350 0.000 0.000 0.295 379 T C -0.717 173.693 174.700 -0.485 0.000 0.993 379 T CA -0.540 61.361 62.100 -0.332 0.000 0.979 379 T CB 1.404 70.161 68.868 -0.185 0.000 0.967 379 T HN 0.356 nan 8.240 nan 0.000 0.441 380 D N 1.069 121.342 120.400 -0.211 0.000 2.363 380 D HA 0.156 4.796 4.640 0.000 0.000 0.240 380 D C 0.360 176.670 176.300 0.017 0.000 1.236 380 D CA -0.469 53.472 54.000 -0.098 0.000 0.927 380 D CB 0.858 41.809 40.800 0.251 0.000 1.150 380 D HN 0.551 nan 8.370 nan 0.000 0.458 381 W N 0.888 122.060 121.300 -0.213 0.000 1.692 381 W HA 0.122 4.782 4.660 0.000 0.000 0.644 381 W C 0.279 176.688 176.519 -0.183 0.000 1.365 381 W CA -0.721 56.489 57.345 -0.225 0.000 1.159 381 W CB 0.053 29.332 29.460 -0.301 0.000 3.497 381 W HN 0.205 nan 8.180 nan 0.000 0.768 382 N N 2.759 121.064 118.700 -0.658 0.000 2.294 382 N HA -0.111 4.629 4.740 0.000 0.000 0.263 382 N C 0.914 176.257 175.510 -0.278 0.000 1.281 382 N CA 0.573 53.185 53.050 -0.730 0.000 0.846 382 N CB 0.857 38.731 38.487 -1.021 0.000 1.061 382 N HN 0.343 nan 8.380 nan 0.000 0.478 383 L N 1.230 122.340 121.223 -0.187 0.000 2.127 383 L HA -0.130 4.211 4.340 0.000 0.000 0.211 383 L C 1.041 177.952 176.870 0.068 0.000 1.089 383 L CA 1.030 55.825 54.840 -0.075 0.000 0.757 383 L CB -0.138 41.849 42.059 -0.120 0.000 0.899 383 L HN 0.606 nan 8.230 nan 0.000 0.434 384 A N -1.011 121.778 122.820 -0.053 0.000 2.589 384 A HA 0.746 5.066 4.320 0.000 0.000 0.296 384 A C -1.199 176.326 177.584 -0.098 0.000 1.062 384 A CA -0.501 51.521 52.037 -0.024 0.000 0.686 384 A CB 1.427 20.424 19.000 -0.005 0.000 1.282 384 A HN -0.013 nan 8.150 nan 0.000 0.404 385 L N 0.829 122.015 121.223 -0.061 0.000 2.322 385 L HA 0.504 4.844 4.340 0.000 0.000 0.252 385 L C -0.087 176.784 176.870 0.001 0.000 1.055 385 L CA -1.233 53.578 54.840 -0.048 0.000 0.849 385 L CB 2.253 44.271 42.059 -0.068 0.000 1.446 385 L HN 0.995 nan 8.230 nan 0.000 0.416 386 N N -0.412 118.301 118.700 0.023 0.000 2.405 386 N HA 0.310 5.050 4.740 0.000 0.000 0.269 386 N C -2.413 173.119 175.510 0.036 0.000 1.249 386 N CA -1.665 51.407 53.050 0.036 0.000 0.974 386 N CB -0.145 38.366 38.487 0.040 0.000 1.204 386 N HN 0.161 nan 8.380 nan 0.000 0.565 387 P HA -0.037 nan 4.420 nan 0.000 0.225 387 P C -0.081 177.226 177.300 0.012 0.000 1.148 387 P CA 1.204 64.317 63.100 0.022 0.000 0.779 387 P CB 0.112 31.833 31.700 0.035 0.000 0.780 388 E N -1.550 118.667 120.200 0.029 0.000 2.474 388 E HA 0.274 4.624 4.350 0.000 0.000 0.194 388 E C 1.256 177.881 176.600 0.040 0.000 1.041 388 E CA 0.502 56.923 56.400 0.034 0.000 0.874 388 E CB -0.467 29.259 29.700 0.042 0.000 0.914 388 E HN 0.086 nan 8.360 nan 0.000 0.498 389 G N 0.142 108.966 108.800 0.040 0.000 2.142 389 G HA2 -0.159 3.801 3.960 0.000 0.000 0.225 389 G HA3 -0.159 3.801 3.960 0.000 0.000 0.225 389 G C 0.339 175.329 174.900 0.151 0.000 1.015 389 G CA -0.230 44.909 45.100 0.064 0.000 0.716 389 G HN 0.544 nan 8.290 nan 0.000 0.508 390 G N -0.749 108.120 108.800 0.114 0.000 3.211 390 G HA2 0.889 4.849 3.960 0.000 0.000 0.262 390 G HA3 0.889 4.849 3.960 0.000 0.000 0.262 390 G C -2.909 172.061 174.900 0.116 0.000 1.352 390 G CA -0.839 44.339 45.100 0.129 0.000 1.004 390 G HN 0.220 nan 8.290 nan 0.000 0.559 391 P HA 0.185 nan 4.420 nan 0.000 0.278 391 P C -1.163 176.146 177.300 0.015 0.000 1.238 391 P CA -0.324 62.816 63.100 0.067 0.000 0.794 391 P CB 1.536 33.274 31.700 0.064 0.000 0.955 392 N N 2.755 121.393 118.700 -0.104 0.000 2.397 392 N HA 0.087 4.827 4.740 0.000 0.000 0.291 392 N C 0.796 176.214 175.510 -0.153 0.000 1.065 392 N CA -0.692 52.155 53.050 -0.339 0.000 0.884 392 N CB 1.251 39.314 38.487 -0.706 0.000 1.551 392 N HN 0.541 nan 8.380 nan 0.000 0.487 393 W N 4.131 125.330 121.300 -0.169 0.000 2.937 393 W HA 0.119 4.779 4.660 -0.000 0.000 0.245 393 W C -0.400 176.090 176.519 -0.049 0.000 1.306 393 W CA 0.059 57.357 57.345 -0.079 0.000 1.470 393 W CB -0.494 28.936 29.460 -0.051 0.000 1.132 393 W HN 0.194 nan 8.180 nan 0.000 0.675 394 V N 0.916 120.412 119.914 -0.696 0.000 2.735 394 V HA 0.270 4.390 4.120 0.000 0.000 0.234 394 V C 0.492 176.430 176.094 -0.261 0.000 1.121 394 V CA 0.922 62.851 62.300 -0.619 0.000 1.160 394 V CB -0.290 31.148 31.823 -0.642 0.000 0.908 394 V HN 0.025 nan 8.190 nan 0.000 0.495 395 R N 0.348 120.731 120.500 -0.196 0.000 2.736 395 R HA 0.252 4.592 4.340 0.000 0.000 0.250 395 R C -1.808 174.517 176.300 0.042 0.000 1.098 395 R CA -0.585 55.483 56.100 -0.053 0.000 0.978 395 R CB 1.079 31.367 30.300 -0.019 0.000 1.263 395 R HN 0.294 nan 8.270 nan 0.000 0.460 396 N N 3.689 122.434 118.700 0.075 0.000 2.520 396 N HA 0.233 4.974 4.740 0.000 0.000 0.273 396 N C -0.056 175.650 175.510 0.325 0.000 1.155 396 N CA 0.113 53.249 53.050 0.143 0.000 0.967 396 N CB 0.336 38.878 38.487 0.091 0.000 1.092 396 N HN 0.581 nan 8.380 nan 0.000 0.457 397 F N -1.234 118.785 119.950 0.116 0.000 2.995 397 F HA 0.303 4.830 4.527 0.001 0.000 0.382 397 F C -0.313 175.573 175.800 0.144 0.000 1.019 397 F CA -0.660 57.414 58.000 0.124 0.000 1.078 397 F CB 0.099 39.192 39.000 0.154 0.000 1.192 397 F HN 0.156 nan 8.300 nan 0.000 0.553 398 V N -1.558 118.158 119.914 -0.330 0.000 3.074 398 V HA 0.602 4.722 4.120 0.000 0.000 0.314 398 V C -0.860 175.149 176.094 -0.141 0.000 1.117 398 V CA -0.712 61.427 62.300 -0.269 0.000 1.014 398 V CB 1.845 33.423 31.823 -0.408 0.000 1.057 398 V HN 0.057 nan 8.190 nan 0.000 0.438 399 D N 0.471 120.804 120.400 -0.112 0.000 2.411 399 D HA 0.623 5.263 4.640 0.000 0.000 0.251 399 D C -0.421 175.820 176.300 -0.098 0.000 1.201 399 D CA 0.241 54.181 54.000 -0.100 0.000 0.996 399 D CB 1.930 42.665 40.800 -0.109 0.000 1.101 399 D HN 0.910 nan 8.370 nan 0.000 0.504 400 S N -0.799 114.851 115.700 -0.083 0.000 2.541 400 S HA 0.439 4.909 4.470 0.000 0.000 0.271 400 S C -2.296 172.299 174.600 -0.008 0.000 1.133 400 S CA -1.236 56.935 58.200 -0.049 0.000 0.876 400 S CB 1.762 64.914 63.200 -0.081 0.000 1.105 400 S HN 0.085 nan 8.310 nan 0.000 0.470 401 P HA 0.138 nan 4.420 nan 0.000 0.219 401 P C -0.325 177.049 177.300 0.123 0.000 1.146 401 P CA 1.068 64.234 63.100 0.111 0.000 0.808 401 P CB 0.052 31.923 31.700 0.285 0.000 0.779 402 I N -0.159 120.484 120.570 0.122 0.000 2.466 402 I HA 0.244 4.414 4.170 0.000 0.000 0.289 402 I C -0.484 175.677 176.117 0.074 0.000 1.026 402 I CA -0.964 60.377 61.300 0.068 0.000 1.078 402 I CB 2.156 40.146 38.000 -0.016 0.000 1.249 402 I HN -0.290 nan 8.210 nan 0.000 0.429 403 I N 6.984 127.625 120.570 0.117 0.000 2.378 403 I HA 0.359 4.529 4.170 0.000 0.000 0.291 403 I C 0.012 176.200 176.117 0.118 0.000 0.992 403 I CA -0.767 60.603 61.300 0.116 0.000 1.154 403 I CB 1.809 39.893 38.000 0.140 0.000 1.315 403 I HN 0.121 nan 8.210 nan 0.000 0.448 404 V N 5.361 125.313 119.914 0.063 0.000 2.427 404 V HA 0.281 4.401 4.120 0.000 0.000 0.286 404 V C -0.083 176.031 176.094 0.033 0.000 1.034 404 V CA -0.499 61.821 62.300 0.034 0.000 0.893 404 V CB 1.864 33.692 31.823 0.007 0.000 0.982 404 V HN 0.618 nan 8.190 nan 0.000 0.452 405 D N 3.998 124.392 120.400 -0.011 0.000 2.477 405 D HA 0.286 4.926 4.640 0.000 0.000 0.239 405 D C 1.021 177.333 176.300 0.020 0.000 1.102 405 D CA -0.500 53.521 54.000 0.036 0.000 0.901 405 D CB 1.101 41.953 40.800 0.086 0.000 1.026 405 D HN 0.521 nan 8.370 nan 0.000 0.515 406 I N 0.987 121.574 120.570 0.029 0.000 2.361 406 I HA -0.132 4.039 4.170 0.000 0.000 0.251 406 I C 1.953 178.086 176.117 0.027 0.000 1.133 406 I CA 1.335 62.650 61.300 0.024 0.000 1.413 406 I CB -0.765 37.248 38.000 0.022 0.000 1.073 406 I HN 0.258 nan 8.210 nan 0.000 0.424 407 T N -0.996 113.580 114.554 0.036 0.000 2.897 407 T HA -0.112 4.238 4.350 0.000 0.000 0.271 407 T C 1.515 176.236 174.700 0.035 0.000 1.084 407 T CA 1.380 63.502 62.100 0.037 0.000 1.123 407 T CB -0.394 68.502 68.868 0.046 0.000 0.865 407 T HN 0.542 nan 8.240 nan 0.000 0.496 408 K N 0.293 120.713 120.400 0.033 0.000 2.413 408 K HA 0.164 4.484 4.320 0.000 0.000 0.204 408 K C 0.124 176.726 176.600 0.003 0.000 1.041 408 K CA 0.157 56.459 56.287 0.025 0.000 1.082 408 K CB 0.425 32.951 32.500 0.043 0.000 0.871 408 K HN 0.123 nan 8.250 nan 0.000 0.535 409 D N 2.408 122.813 120.400 0.009 0.000 2.702 409 D HA -0.164 4.476 4.640 0.000 0.000 0.233 409 D C -0.714 175.586 176.300 -0.000 0.000 1.164 409 D CA 1.360 55.370 54.000 0.016 0.000 0.638 409 D CB -0.739 40.074 40.800 0.021 0.000 1.041 409 D HN 0.427 nan 8.370 nan 0.000 0.422 410 T N -1.693 112.828 114.554 -0.056 0.000 2.916 410 T HA 0.741 5.091 4.350 0.000 0.000 0.292 410 T C -0.170 174.402 174.700 -0.213 0.000 1.055 410 T CA -0.929 61.058 62.100 -0.187 0.000 1.009 410 T CB 1.637 70.319 68.868 -0.309 0.000 1.118 410 T HN 0.282 nan 8.240 nan 0.000 0.497 411 F N -0.229 119.462 119.950 -0.431 0.000 2.588 411 F HA 0.819 5.346 4.527 0.000 0.000 0.314 411 F C -1.834 173.650 175.800 -0.527 0.000 1.069 411 F CA -1.779 55.937 58.000 -0.475 0.000 0.931 411 F CB 1.272 40.126 39.000 -0.244 0.000 1.260 411 F HN 0.592 nan 8.300 nan 0.000 0.465 412 Y N 0.888 121.238 120.300 0.084 0.000 2.364 412 Y HA 0.517 5.067 4.550 0.000 0.000 0.340 412 Y C -0.497 175.414 175.900 0.019 0.000 0.975 412 Y CA -1.085 57.016 58.100 0.003 0.000 1.089 412 Y CB 2.136 40.605 38.460 0.015 0.000 1.192 412 Y HN 0.459 nan 8.280 nan 0.000 0.454 413 K N 3.915 124.390 120.400 0.125 0.000 2.263 413 K HA 0.260 4.580 4.320 0.000 0.000 0.272 413 K C -0.392 176.338 176.600 0.216 0.000 1.033 413 K CA -0.681 55.592 56.287 -0.024 0.000 0.884 413 K CB 0.918 33.197 32.500 -0.368 0.000 1.107 413 K HN 0.570 nan 8.250 nan 0.000 0.460 414 Q N 2.439 122.352 119.800 0.189 0.000 2.382 414 Q HA 0.080 4.420 4.340 0.000 0.000 0.229 414 Q C -1.723 174.501 176.000 0.374 0.000 1.006 414 Q CA -1.753 54.183 55.803 0.222 0.000 0.916 414 Q CB 0.320 29.109 28.738 0.084 0.000 1.235 414 Q HN 0.283 nan 8.270 nan 0.000 0.512 415 P HA -0.203 nan 4.420 nan 0.000 0.217 415 P C 1.270 178.725 177.300 0.259 0.000 1.151 415 P CA 1.719 65.053 63.100 0.390 0.000 0.849 415 P CB 0.068 31.900 31.700 0.219 0.000 0.787 416 M N -2.763 116.830 119.600 -0.012 0.000 2.106 416 M HA -0.215 4.265 4.480 0.000 0.000 0.259 416 M C 2.024 178.342 176.300 0.031 0.000 1.068 416 M CA 1.885 57.057 55.300 -0.212 0.000 1.100 416 M CB -0.977 31.258 32.600 -0.609 0.000 1.351 416 M HN -0.083 nan 8.290 nan 0.000 0.404 417 F N 0.253 120.166 119.950 -0.062 0.000 2.065 417 F HA -0.307 4.221 4.527 0.000 0.000 0.298 417 F C 1.926 177.611 175.800 -0.191 0.000 1.112 417 F CA 1.847 59.740 58.000 -0.179 0.000 1.212 417 F CB -0.456 38.273 39.000 -0.451 0.000 0.975 417 F HN 0.031 nan 8.300 nan 0.000 0.476 418 Y N -0.940 119.556 120.300 0.327 0.000 2.263 418 Y HA -0.170 4.381 4.550 0.000 0.000 0.292 418 Y C 2.768 178.813 175.900 0.241 0.000 1.130 418 Y CA 1.635 59.898 58.100 0.271 0.000 1.179 418 Y CB -1.012 37.681 38.460 0.387 0.000 0.998 418 Y HN 0.169 nan 8.280 nan 0.000 0.532 419 H N -0.446 118.777 119.070 0.256 0.000 2.353 419 H HA -0.161 4.396 4.556 0.001 0.000 0.300 419 H C 2.298 177.779 175.328 0.256 0.000 1.090 419 H CA 1.713 57.875 56.048 0.190 0.000 1.327 419 H CB -0.240 29.535 29.762 0.023 0.000 1.383 419 H HN 0.345 nan 8.280 nan 0.000 0.508 420 L N -0.012 121.367 121.223 0.261 0.000 2.056 420 L HA -0.063 4.277 4.340 0.000 0.000 0.207 420 L C 2.712 179.617 176.870 0.057 0.000 1.078 420 L CA 1.055 55.996 54.840 0.169 0.000 0.749 420 L CB -0.380 41.821 42.059 0.237 0.000 0.901 420 L HN 0.254 nan 8.230 nan 0.000 0.433 421 G N -2.105 106.622 108.800 -0.122 0.000 2.422 421 G HA2 -0.252 3.709 3.960 0.000 0.000 0.218 421 G HA3 -0.252 3.709 3.960 0.000 0.000 0.218 421 G C 1.321 176.083 174.900 -0.231 0.000 1.140 421 G CA 0.266 45.188 45.100 -0.297 0.000 0.775 421 G HN 0.439 nan 8.290 nan 0.000 0.545 422 H N -0.689 118.327 119.070 -0.090 0.000 2.492 422 H HA -0.065 4.491 4.556 0.000 0.000 0.296 422 H C 1.827 176.946 175.328 -0.348 0.000 1.095 422 H CA 1.328 57.294 56.048 -0.137 0.000 1.281 422 H CB 0.075 29.668 29.762 -0.282 0.000 1.374 422 H HN 0.498 nan 8.280 nan 0.000 0.545 423 F N -0.446 119.410 119.950 -0.156 0.000 2.479 423 F HA -0.061 4.466 4.527 0.001 0.000 0.280 423 F C 2.842 178.216 175.800 -0.709 0.000 0.982 423 F CA 0.615 58.356 58.000 -0.432 0.000 1.276 423 F CB -0.556 38.017 39.000 -0.713 0.000 1.137 423 F HN -0.004 nan 8.300 nan 0.000 0.660 424 S N 0.504 115.838 115.700 -0.610 0.000 2.382 424 S HA -0.246 4.224 4.470 0.000 0.000 0.228 424 S C 1.980 176.376 174.600 -0.340 0.000 1.027 424 S CA 1.445 59.357 58.200 -0.480 0.000 0.991 424 S CB -0.636 62.520 63.200 -0.073 0.000 0.823 424 S HN 0.353 nan 8.310 nan 0.000 0.469 425 K N 0.149 120.204 120.400 -0.576 0.000 2.211 425 K HA 0.053 4.374 4.320 0.000 0.000 0.203 425 K C 0.501 176.544 176.600 -0.928 0.000 1.050 425 K CA 1.172 56.880 56.287 -0.966 0.000 0.945 425 K CB -0.123 31.363 32.500 -1.689 0.000 0.732 425 K HN 0.587 nan 8.250 nan 0.000 0.451 426 F N -0.314 119.497 119.950 -0.232 0.000 2.729 426 F HA 0.311 4.839 4.527 0.000 0.000 0.315 426 F C 0.008 175.807 175.800 -0.001 0.000 1.102 426 F CA -0.566 57.362 58.000 -0.119 0.000 1.204 426 F CB 0.945 39.854 39.000 -0.152 0.000 1.052 426 F HN -0.191 nan 8.300 nan 0.000 0.551 427 I N 3.042 123.645 120.570 0.056 0.000 2.698 427 I HA 0.240 4.411 4.170 0.000 0.000 0.276 427 I C -2.477 173.690 176.117 0.083 0.000 1.166 427 I CA -1.929 59.443 61.300 0.120 0.000 1.101 427 I CB 0.739 38.921 38.000 0.304 0.000 1.305 427 I HN -0.220 nan 8.210 nan 0.000 0.526 428 P HA 0.023 nan 4.420 nan 0.000 0.272 428 P C -0.100 177.193 177.300 -0.011 0.000 1.240 428 P CA -0.175 62.883 63.100 -0.070 0.000 0.791 428 P CB 0.817 32.416 31.700 -0.168 0.000 0.978 429 E N 0.079 120.274 120.200 -0.008 0.000 2.529 429 E HA 0.158 4.508 4.350 0.000 0.000 0.259 429 E C 1.060 177.650 176.600 -0.017 0.000 0.966 429 E CA 0.965 57.350 56.400 -0.025 0.000 0.937 429 E CB -0.659 29.005 29.700 -0.060 0.000 0.923 429 E HN 0.780 nan 8.360 nan 0.000 0.468 430 G N 3.043 111.842 108.800 -0.000 0.000 2.195 430 G HA2 -0.275 3.685 3.960 0.000 0.000 0.246 430 G HA3 -0.275 3.685 3.960 0.000 0.000 0.246 430 G C 0.268 175.190 174.900 0.038 0.000 0.984 430 G CA 0.166 45.277 45.100 0.017 0.000 0.633 430 G HN 0.596 nan 8.290 nan 0.000 0.525 431 S N -0.043 115.683 115.700 0.044 0.000 2.566 431 S HA 0.426 4.896 4.470 0.000 0.000 0.280 431 S C 0.228 174.888 174.600 0.100 0.000 1.343 431 S CA 0.558 58.809 58.200 0.086 0.000 1.036 431 S CB 1.480 64.749 63.200 0.116 0.000 0.866 431 S HN 0.651 nan 8.310 nan 0.000 0.526 432 Q N 1.138 121.004 119.800 0.109 0.000 2.321 432 Q HA 0.336 4.676 4.340 0.000 0.000 0.270 432 Q C -0.544 175.536 176.000 0.134 0.000 1.032 432 Q CA -0.692 55.177 55.803 0.110 0.000 0.784 432 Q CB 1.220 30.006 28.738 0.081 0.000 1.264 432 Q HN 0.618 nan 8.270 nan 0.000 0.448 433 R N 2.248 122.848 120.500 0.168 0.000 2.590 433 R HA 0.322 4.662 4.340 0.000 0.000 0.274 433 R C -0.553 175.923 176.300 0.295 0.000 1.061 433 R CA 0.133 56.350 56.100 0.196 0.000 1.081 433 R CB 0.452 30.841 30.300 0.149 0.000 0.984 433 R HN 0.498 nan 8.270 nan 0.000 0.448 434 V N 0.419 120.493 119.914 0.267 0.000 3.160 434 V HA 0.696 4.816 4.120 0.000 0.000 0.310 434 V C 0.217 176.504 176.094 0.321 0.000 1.181 434 V CA -0.789 61.667 62.300 0.260 0.000 1.047 434 V CB 1.405 33.289 31.823 0.101 0.000 1.068 434 V HN 0.865 nan 8.190 nan 0.000 0.441 435 G N 0.423 109.411 108.800 0.314 0.000 2.491 435 G HA2 0.488 4.448 3.960 0.000 0.000 0.238 435 G HA3 0.488 4.448 3.960 0.000 0.000 0.238 435 G C -1.004 173.978 174.900 0.136 0.000 1.277 435 G CA 0.042 45.307 45.100 0.275 0.000 0.851 435 G HN 1.297 nan 8.290 nan 0.000 0.573 436 L N 2.611 123.887 121.223 0.090 0.000 2.541 436 L HA 0.473 4.814 4.340 0.000 0.000 0.266 436 L C -0.703 176.192 176.870 0.041 0.000 0.966 436 L CA -0.526 54.352 54.840 0.062 0.000 0.871 436 L CB 2.210 44.302 42.059 0.055 0.000 1.232 436 L HN 0.329 nan 8.230 nan 0.000 0.408 437 V N 4.496 124.433 119.914 0.039 0.000 2.394 437 V HA 0.782 4.902 4.120 0.000 0.000 0.282 437 V C 0.592 176.700 176.094 0.024 0.000 1.031 437 V CA -0.304 62.015 62.300 0.031 0.000 0.881 437 V CB 1.416 33.260 31.823 0.035 0.000 0.982 437 V HN 0.909 nan 8.190 nan 0.000 0.451 438 A N 3.541 126.373 122.820 0.020 0.000 2.328 438 A HA 0.488 4.808 4.320 0.000 0.000 0.284 438 A C 1.284 178.883 177.584 0.024 0.000 1.160 438 A CA 0.238 52.286 52.037 0.020 0.000 0.818 438 A CB 0.675 19.686 19.000 0.019 0.000 1.087 438 A HN 1.124 nan 8.150 nan 0.000 0.504 439 S N 1.385 117.102 115.700 0.028 0.000 2.481 439 S HA 0.047 4.517 4.470 0.000 0.000 0.231 439 S C 0.557 175.175 174.600 0.030 0.000 0.996 439 S CA 0.890 59.110 58.200 0.034 0.000 0.942 439 S CB -0.419 62.809 63.200 0.047 0.000 0.768 439 S HN 0.984 nan 8.310 nan 0.000 0.520 440 Q N -0.648 119.168 119.800 0.025 0.000 2.633 440 Q HA 0.425 4.766 4.340 0.000 0.000 0.289 440 Q C -1.468 174.544 176.000 0.021 0.000 0.940 440 Q CA -1.204 54.612 55.803 0.022 0.000 0.785 440 Q CB 0.876 29.627 28.738 0.021 0.000 1.467 440 Q HN 0.086 nan 8.270 nan 0.000 0.401 441 K N 1.040 121.451 120.400 0.020 0.000 2.436 441 K HA 0.144 4.464 4.320 0.000 0.000 0.275 441 K C -0.855 175.756 176.600 0.018 0.000 0.999 441 K CA 0.813 57.113 56.287 0.021 0.000 0.980 441 K CB 0.275 32.788 32.500 0.021 0.000 0.919 441 K HN 0.806 nan 8.250 nan 0.000 0.484 442 N N 0.594 119.307 118.700 0.020 0.000 3.020 442 N HA 0.178 4.918 4.740 0.000 0.000 0.248 442 N C -1.294 174.227 175.510 0.020 0.000 1.480 442 N CA -0.824 52.236 53.050 0.017 0.000 0.874 442 N CB 1.045 39.541 38.487 0.015 0.000 1.433 442 N HN 0.294 nan 8.380 nan 0.000 0.530 443 D N -0.296 120.111 120.400 0.013 0.000 2.363 443 D HA 0.248 4.888 4.640 0.000 0.000 0.214 443 D C -0.142 176.170 176.300 0.019 0.000 1.093 443 D CA 0.108 54.116 54.000 0.013 0.000 0.837 443 D CB 0.121 40.919 40.800 -0.004 0.000 0.948 443 D HN 0.372 nan 8.370 nan 0.000 0.507 444 L N 0.846 122.085 121.223 0.026 0.000 2.399 444 L HA 0.296 4.636 4.340 0.000 0.000 0.266 444 L C 0.317 177.229 176.870 0.070 0.000 1.114 444 L CA -0.464 54.400 54.840 0.040 0.000 0.804 444 L CB 1.011 43.088 42.059 0.029 0.000 1.146 444 L HN -0.245 nan 8.230 nan 0.000 0.451 445 D N 1.792 122.253 120.400 0.101 0.000 2.256 445 D HA 0.631 5.271 4.640 0.000 0.000 0.240 445 D C -0.595 175.777 176.300 0.120 0.000 1.062 445 D CA -0.087 53.993 54.000 0.134 0.000 0.832 445 D CB 2.348 43.280 40.800 0.221 0.000 1.135 445 D HN 0.592 nan 8.370 nan 0.000 0.484 446 A N 1.395 124.274 122.820 0.099 0.000 2.587 446 A HA 0.743 5.063 4.320 0.000 0.000 0.293 446 A C -1.452 176.182 177.584 0.083 0.000 1.087 446 A CA -0.769 51.327 52.037 0.098 0.000 0.692 446 A CB 2.289 21.335 19.000 0.077 0.000 1.291 446 A HN 0.362 nan 8.150 nan 0.000 0.407 447 V N -0.278 119.698 119.914 0.103 0.000 2.969 447 V HA 0.797 4.917 4.120 0.000 0.000 0.304 447 V C -0.772 175.381 176.094 0.098 0.000 1.192 447 V CA 0.272 62.624 62.300 0.087 0.000 0.962 447 V CB 1.898 33.795 31.823 0.124 0.000 1.045 447 V HN 2.192 nan 8.190 nan 0.000 0.428 448 A N 5.813 128.680 122.820 0.079 0.000 2.374 448 A HA 1.029 5.349 4.320 0.000 0.000 0.317 448 A C -1.655 175.976 177.584 0.077 0.000 1.094 448 A CA -0.568 51.510 52.037 0.069 0.000 0.765 448 A CB 1.664 20.703 19.000 0.064 0.000 1.268 448 A HN 0.946 nan 8.150 nan 0.000 0.438 449 L N 0.678 121.934 121.223 0.055 0.000 2.409 449 L HA 0.672 5.013 4.340 0.000 0.000 0.255 449 L C -0.372 176.514 176.870 0.027 0.000 1.027 449 L CA -0.192 54.700 54.840 0.087 0.000 0.834 449 L CB 2.176 44.328 42.059 0.155 0.000 1.426 449 L HN 0.820 nan 8.230 nan 0.000 0.411 450 M N 0.723 120.358 119.600 0.058 0.000 2.311 450 M HA 0.465 4.945 4.480 0.000 0.000 0.325 450 M C -0.702 175.690 176.300 0.152 0.000 1.061 450 M CA -0.328 54.988 55.300 0.027 0.000 0.957 450 M CB 1.238 33.837 32.600 -0.001 0.000 1.646 450 M HN 0.588 nan 8.290 nan 0.000 0.434 451 H N 4.311 123.370 119.070 -0.019 0.000 2.757 451 H HA 0.069 4.625 4.556 0.000 0.000 0.370 451 H C -1.758 173.573 175.328 0.005 0.000 1.172 451 H CA -1.323 54.731 56.048 0.011 0.000 1.426 451 H CB 0.365 30.138 29.762 0.019 0.000 1.438 451 H HN 0.515 nan 8.280 nan 0.000 0.612 452 P HA -0.209 nan 4.420 nan 0.000 0.217 452 P C 0.832 178.163 177.300 0.052 0.000 1.148 452 P CA 1.666 64.802 63.100 0.059 0.000 0.834 452 P CB 0.049 31.769 31.700 0.033 0.000 0.783 453 D N -2.208 118.235 120.400 0.072 0.000 2.349 453 D HA 0.076 4.717 4.640 0.000 0.000 0.224 453 D C 1.409 177.698 176.300 -0.018 0.000 1.029 453 D CA 0.611 54.623 54.000 0.020 0.000 0.879 453 D CB -0.923 39.884 40.800 0.012 0.000 0.906 453 D HN 0.236 nan 8.370 nan 0.000 0.528 454 G N 0.119 108.919 108.800 0.001 0.000 2.176 454 G HA2 -0.292 3.668 3.960 0.000 0.000 0.253 454 G HA3 -0.292 3.668 3.960 0.000 0.000 0.253 454 G C 0.420 175.262 174.900 -0.096 0.000 0.979 454 G CA 0.423 45.500 45.100 -0.038 0.000 0.641 454 G HN 0.838 nan 8.290 nan 0.000 0.530 455 S N 0.093 115.716 115.700 -0.128 0.000 2.592 455 S HA 0.765 5.235 4.470 0.000 0.000 0.271 455 S C 0.510 174.842 174.600 -0.447 0.000 1.326 455 S CA 0.458 58.504 58.200 -0.257 0.000 1.024 455 S CB 2.014 65.091 63.200 -0.204 0.000 0.921 455 S HN 1.881 nan 8.310 nan 0.000 0.527 456 A N 1.189 123.588 122.820 -0.702 0.000 2.304 456 A HA 0.723 5.043 4.320 0.000 0.000 0.301 456 A C -0.299 176.783 177.584 -0.835 0.000 1.132 456 A CA -0.792 50.692 52.037 -0.921 0.000 0.819 456 A CB 0.855 18.800 19.000 -1.757 0.000 1.094 456 A HN 1.522 nan 8.150 nan 0.000 0.492 457 V N 2.974 122.581 119.914 -0.513 0.000 2.686 457 V HA 0.654 4.775 4.120 0.000 0.000 0.306 457 V C -1.360 174.673 176.094 -0.101 0.000 1.065 457 V CA -0.360 61.793 62.300 -0.245 0.000 0.894 457 V CB 1.893 33.702 31.823 -0.024 0.000 1.004 457 V HN 0.792 nan 8.190 nan 0.000 0.424 458 V N 6.790 126.732 119.914 0.047 0.000 2.531 458 V HA 0.554 4.675 4.120 0.000 0.000 0.301 458 V C -0.410 175.792 176.094 0.180 0.000 1.034 458 V CA -0.585 61.808 62.300 0.155 0.000 0.865 458 V CB 2.073 34.060 31.823 0.273 0.000 0.995 458 V HN 0.719 nan 8.190 nan 0.000 0.424 459 V N 5.449 125.420 119.914 0.095 0.000 2.435 459 V HA 0.570 4.691 4.120 0.000 0.000 0.290 459 V C -0.301 175.848 176.094 0.093 0.000 1.030 459 V CA -0.529 61.773 62.300 0.003 0.000 0.881 459 V CB 1.875 33.520 31.823 -0.298 0.000 0.983 459 V HN 0.605 nan 8.190 nan 0.000 0.445 460 V N 6.087 126.071 119.914 0.116 0.000 2.443 460 V HA 0.475 4.595 4.120 0.000 0.000 0.293 460 V C -0.615 175.508 176.094 0.049 0.000 1.021 460 V CA -0.543 61.826 62.300 0.116 0.000 0.848 460 V CB 1.677 33.606 31.823 0.176 0.000 0.998 460 V HN 0.671 nan 8.190 nan 0.000 0.424 461 L N 4.658 125.926 121.223 0.075 0.000 2.322 461 L HA 0.686 5.026 4.340 0.000 0.000 0.281 461 L C -0.379 176.540 176.870 0.082 0.000 1.014 461 L CA 0.069 54.964 54.840 0.091 0.000 0.815 461 L CB 1.667 43.831 42.059 0.174 0.000 1.247 461 L HN 0.626 nan 8.230 nan 0.000 0.421 462 N N 3.857 122.604 118.700 0.079 0.000 2.564 462 N HA 0.330 5.070 4.740 0.000 0.000 0.248 462 N C 0.173 175.748 175.510 0.110 0.000 0.986 462 N CA -0.296 52.783 53.050 0.049 0.000 0.921 462 N CB 0.975 39.450 38.487 -0.020 0.000 1.136 462 N HN 0.676 nan 8.380 nan 0.000 0.509 463 R N 0.447 121.005 120.500 0.097 0.000 2.313 463 R HA 0.055 4.395 4.340 0.000 0.000 0.199 463 R C 0.684 176.997 176.300 0.021 0.000 0.958 463 R CA 0.073 56.260 56.100 0.146 0.000 1.047 463 R CB 0.088 30.443 30.300 0.092 0.000 0.955 463 R HN 0.545 nan 8.270 nan 0.000 0.481 464 S N -0.387 115.225 115.700 -0.145 0.000 2.672 464 S HA 0.104 4.574 4.470 0.000 0.000 0.276 464 S C 1.190 175.340 174.600 -0.750 0.000 1.207 464 S CA -0.500 57.525 58.200 -0.292 0.000 1.002 464 S CB 1.846 64.955 63.200 -0.151 0.000 0.998 464 S HN 0.144 nan 8.310 nan 0.000 0.542 465 S N -0.099 115.209 115.700 -0.654 0.000 2.561 465 S HA 0.166 4.636 4.470 0.000 0.000 0.225 465 S C -0.009 174.423 174.600 -0.280 0.000 0.977 465 S CA -0.054 57.772 58.200 -0.623 0.000 0.926 465 S CB -0.531 62.588 63.200 -0.135 0.000 0.769 465 S HN 0.655 nan 8.310 nan 0.000 0.533 466 K N 2.461 122.736 120.400 -0.207 0.000 2.185 466 K HA 0.451 4.771 4.320 0.000 0.000 0.269 466 K C -1.065 175.477 176.600 -0.096 0.000 0.987 466 K CA -0.551 55.671 56.287 -0.109 0.000 0.865 466 K CB 0.646 33.103 32.500 -0.071 0.000 1.090 466 K HN 0.012 nan 8.250 nan 0.000 0.450 467 D N 1.251 121.614 120.400 -0.061 0.000 2.488 467 D HA 0.041 4.682 4.640 0.000 0.000 0.238 467 D C -0.572 175.708 176.300 -0.033 0.000 1.138 467 D CA 0.195 54.171 54.000 -0.040 0.000 0.873 467 D CB 0.604 41.394 40.800 -0.017 0.000 1.183 467 D HN 0.023 nan 8.370 nan 0.000 0.458 468 V N 4.852 124.749 119.914 -0.030 0.000 2.376 468 V HA 0.292 4.412 4.120 0.000 0.000 0.287 468 V C -2.249 173.839 176.094 -0.009 0.000 1.015 468 V CA -1.725 60.562 62.300 -0.021 0.000 0.834 468 V CB 1.836 33.644 31.823 -0.025 0.000 1.001 468 V HN 0.414 nan 8.190 nan 0.000 0.428 469 P HA 0.395 nan 4.420 nan 0.000 0.271 469 P C -0.969 176.332 177.300 0.001 0.000 1.216 469 P CA -0.228 62.875 63.100 0.005 0.000 0.771 469 P CB 0.988 32.691 31.700 0.004 0.000 0.864 470 L N 2.972 124.192 121.223 -0.005 0.000 2.482 470 L HA 0.559 4.899 4.340 0.000 0.000 0.263 470 L C -1.012 175.827 176.870 -0.051 0.000 0.957 470 L CA -0.014 54.810 54.840 -0.028 0.000 0.836 470 L CB 2.156 44.187 42.059 -0.047 0.000 1.324 470 L HN 0.239 nan 8.230 nan 0.000 0.406 471 T N 5.621 120.146 114.554 -0.047 0.000 2.829 471 T HA 0.679 5.029 4.350 0.000 0.000 0.280 471 T C -0.342 174.262 174.700 -0.160 0.000 0.999 471 T CA -0.186 61.859 62.100 -0.092 0.000 0.983 471 T CB 1.170 70.010 68.868 -0.047 0.000 0.968 471 T HN 0.440 nan 8.240 nan 0.000 0.446 472 I N 2.660 123.070 120.570 -0.266 0.000 2.406 472 I HA 0.433 4.603 4.170 0.000 0.000 0.290 472 I C 0.074 175.987 176.117 -0.339 0.000 0.999 472 I CA -0.834 60.285 61.300 -0.303 0.000 1.124 472 I CB 1.714 39.443 38.000 -0.451 0.000 1.289 472 I HN 0.343 nan 8.210 nan 0.000 0.441 473 K N 5.334 125.564 120.400 -0.283 0.000 2.235 473 K HA 0.255 4.575 4.320 0.000 0.000 0.266 473 K C -1.133 175.293 176.600 -0.291 0.000 0.980 473 K CA -0.530 55.491 56.287 -0.444 0.000 0.849 473 K CB 1.273 33.490 32.500 -0.471 0.000 1.098 473 K HN 0.479 nan 8.250 nan 0.000 0.445 474 D N 5.862 126.064 120.400 -0.330 0.000 2.392 474 D HA 0.221 4.862 4.640 0.000 0.000 0.228 474 D C -1.915 174.283 176.300 -0.170 0.000 1.074 474 D CA -2.404 51.542 54.000 -0.090 0.000 0.838 474 D CB 1.964 42.842 40.800 0.130 0.000 1.067 474 D HN 0.291 nan 8.370 nan 0.000 0.511 475 P HA -0.150 nan 4.420 nan 0.000 0.217 475 P C 0.780 178.036 177.300 -0.074 0.000 1.148 475 P CA 1.270 64.305 63.100 -0.109 0.000 0.834 475 P CB 0.330 32.001 31.700 -0.047 0.000 0.783 476 A N -1.901 120.904 122.820 -0.024 0.000 2.169 476 A HA 0.067 4.388 4.320 0.000 0.000 0.212 476 A C 1.815 179.399 177.584 0.000 0.000 1.153 476 A CA 1.112 53.151 52.037 0.005 0.000 0.756 476 A CB -0.473 18.553 19.000 0.042 0.000 0.813 476 A HN 0.101 nan 8.150 nan 0.000 0.471 477 V N -2.827 117.061 119.914 -0.044 0.000 3.165 477 V HA 0.529 4.649 4.120 0.000 0.000 0.231 477 V C 1.131 177.148 176.094 -0.128 0.000 1.365 477 V CA 0.579 62.848 62.300 -0.050 0.000 1.286 477 V CB -0.196 31.623 31.823 -0.006 0.000 1.081 477 V HN 0.971 nan 8.190 nan 0.000 0.477 478 G N 0.270 108.904 108.800 -0.277 0.000 2.260 478 G HA2 0.114 4.074 3.960 0.000 0.000 0.250 478 G HA3 0.114 4.074 3.960 0.000 0.000 0.250 478 G C -1.680 172.859 174.900 -0.602 0.000 1.340 478 G CA -0.667 44.217 45.100 -0.360 0.000 1.056 478 G HN 0.064 nan 8.290 nan 0.000 0.471 479 F N 0.420 120.260 119.950 -0.183 0.000 2.458 479 F HA 0.698 5.225 4.527 0.000 0.000 0.336 479 F C 0.464 176.112 175.800 -0.254 0.000 1.114 479 F CA -0.649 57.199 58.000 -0.253 0.000 0.987 479 F CB 2.120 40.985 39.000 -0.224 0.000 1.130 479 F HN 0.404 nan 8.300 nan 0.000 0.458 480 L N 4.554 125.635 121.223 -0.238 0.000 2.264 480 L HA 0.430 4.771 4.340 0.000 0.000 0.287 480 L C -0.574 176.137 176.870 -0.266 0.000 1.039 480 L CA -0.456 54.169 54.840 -0.359 0.000 0.829 480 L CB 0.378 41.968 42.059 -0.781 0.000 1.211 480 L HN 0.521 nan 8.230 nan 0.000 0.427 481 E N 3.465 123.604 120.200 -0.101 0.000 2.227 481 E HA 0.399 4.749 4.350 0.000 0.000 0.282 481 E C -0.482 176.092 176.600 -0.044 0.000 1.015 481 E CA -0.044 56.329 56.400 -0.045 0.000 0.823 481 E CB 2.103 31.823 29.700 0.032 0.000 1.081 481 E HN 0.570 nan 8.360 nan 0.000 0.396 482 T N 1.888 116.416 114.554 -0.045 0.000 2.665 482 T HA 0.642 4.992 4.350 0.000 0.000 0.303 482 T C -1.479 173.253 174.700 0.053 0.000 1.334 482 T CA -0.539 61.573 62.100 0.019 0.000 1.011 482 T CB 0.889 69.738 68.868 -0.031 0.000 1.573 482 T HN 0.338 nan 8.240 nan 0.000 0.492 483 I N 1.761 122.406 120.570 0.125 0.000 2.656 483 I HA 0.418 4.588 4.170 0.000 0.000 0.292 483 I C -0.536 175.647 176.117 0.110 0.000 1.144 483 I CA -0.945 60.409 61.300 0.090 0.000 1.038 483 I CB 2.283 40.332 38.000 0.082 0.000 1.244 483 I HN 0.541 nan 8.210 nan 0.000 0.420 484 S N 7.202 122.899 115.700 -0.005 0.000 2.434 484 S HA 0.468 4.938 4.470 0.000 0.000 0.318 484 S C -2.464 172.075 174.600 -0.102 0.000 1.062 484 S CA -1.450 56.658 58.200 -0.155 0.000 1.116 484 S CB 0.338 63.465 63.200 -0.121 0.000 0.977 484 S HN 0.230 nan 8.310 nan 0.000 0.480 485 P HA 0.183 nan 4.420 nan 0.000 0.269 485 P C 0.379 177.648 177.300 -0.052 0.000 1.215 485 P CA -0.090 62.994 63.100 -0.028 0.000 0.780 485 P CB 0.298 32.015 31.700 0.028 0.000 0.898 486 G N 1.709 110.463 108.800 -0.076 0.000 2.287 486 G HA2 -0.074 3.886 3.960 0.000 0.000 0.235 486 G HA3 -0.074 3.886 3.960 0.000 0.000 0.235 486 G C -0.546 174.319 174.900 -0.057 0.000 1.258 486 G CA -0.058 44.933 45.100 -0.182 0.000 0.884 486 G HN 0.604 nan 8.290 nan 0.000 0.518 487 Y N -0.106 120.254 120.300 0.101 0.000 3.078 487 Y HA -0.265 4.286 4.550 0.000 0.000 0.202 487 Y C 1.353 177.369 175.900 0.194 0.000 1.322 487 Y CA 0.508 58.731 58.100 0.206 0.000 1.118 487 Y CB -1.939 36.499 38.460 -0.036 0.000 1.343 487 Y HN 0.931 nan 8.280 nan 0.000 0.499 488 S N -0.139 115.758 115.700 0.329 0.000 2.715 488 S HA 0.912 5.382 4.470 0.000 0.000 0.307 488 S C -0.680 174.072 174.600 0.253 0.000 1.119 488 S CA -0.813 57.563 58.200 0.292 0.000 0.937 488 S CB 3.344 66.581 63.200 0.062 0.000 1.150 488 S HN 0.464 nan 8.310 nan 0.000 0.521 489 I N 0.423 121.063 120.570 0.116 0.000 2.607 489 I HA 0.517 4.687 4.170 0.000 0.000 0.290 489 I C -1.589 174.458 176.117 -0.117 0.000 1.129 489 I CA -0.493 60.708 61.300 -0.164 0.000 1.042 489 I CB 1.765 39.465 38.000 -0.499 0.000 1.242 489 I HN 0.912 nan 8.210 nan 0.000 0.421 490 H N 4.249 123.213 119.070 -0.176 0.000 2.622 490 H HA 0.504 5.060 4.556 0.000 0.000 0.363 490 H C -1.024 174.255 175.328 -0.081 0.000 1.151 490 H CA -1.013 54.971 56.048 -0.106 0.000 1.184 490 H CB 2.304 31.965 29.762 -0.168 0.000 1.643 490 H HN 0.425 nan 8.280 nan 0.000 0.531 491 T N 2.762 117.347 114.554 0.052 0.000 2.807 491 T HA 0.260 4.611 4.350 0.000 0.000 0.279 491 T C -0.979 173.529 174.700 -0.320 0.000 0.993 491 T CA -0.645 61.388 62.100 -0.112 0.000 0.970 491 T CB 0.487 69.208 68.868 -0.245 0.000 0.950 491 T HN 0.306 nan 8.240 nan 0.000 0.441 492 Y N 2.396 122.728 120.300 0.054 0.000 2.341 492 Y HA 0.656 5.207 4.550 0.000 0.000 0.337 492 Y C -0.268 175.727 175.900 0.157 0.000 1.014 492 Y CA -1.094 57.102 58.100 0.161 0.000 1.111 492 Y CB 1.103 39.712 38.460 0.249 0.000 1.194 492 Y HN 0.401 nan 8.280 nan 0.000 0.462 493 L N 3.374 124.807 121.223 0.350 0.000 2.381 493 L HA 0.627 4.968 4.340 0.000 0.000 0.268 493 L C -1.300 175.845 176.870 0.458 0.000 0.997 493 L CA -0.615 54.341 54.840 0.193 0.000 0.818 493 L CB 1.649 43.750 42.059 0.071 0.000 1.310 493 L HN 0.757 nan 8.230 nan 0.000 0.416 494 W N 0.117 121.485 121.300 0.113 0.000 3.363 494 W HA 0.575 5.235 4.660 0.000 0.000 0.306 494 W C -1.130 175.509 176.519 0.200 0.000 1.253 494 W CA -0.790 56.642 57.345 0.144 0.000 1.195 494 W CB 0.289 29.835 29.460 0.143 0.000 1.366 494 W HN 0.325 nan 8.180 nan 0.000 0.551 495 H N 2.224 121.423 119.070 0.215 0.000 2.815 495 H HA 0.285 4.841 4.556 0.000 0.000 0.350 495 H C 1.056 176.502 175.328 0.197 0.000 1.080 495 H CA -0.154 55.958 56.048 0.107 0.000 1.433 495 H CB 1.178 30.987 29.762 0.078 0.000 1.432 495 H HN 0.498 nan 8.280 nan 0.000 0.592 496 R N 1.224 121.837 120.500 0.188 0.000 2.308 496 R HA 0.160 4.500 4.340 0.000 0.000 0.202 496 R C 0.119 176.491 176.300 0.120 0.000 0.898 496 R CA 0.185 56.392 56.100 0.177 0.000 1.046 496 R CB 0.735 31.077 30.300 0.071 0.000 1.026 496 R HN 0.624 nan 8.270 nan 0.000 0.512 497 Q N 0.000 119.856 119.800 0.093 0.000 2.315 497 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 497 Q CA 0.000 55.837 55.803 0.056 0.000 1.022 497 Q CB 0.000 28.741 28.738 0.006 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481