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 2zku_1_C DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPX DATA SEQUENCE XXGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHSLSR 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.573 174.600 -0.044 0.000 1.055 1 S CA 0.000 58.181 58.200 -0.032 0.000 1.107 1 S CB 0.000 63.173 63.200 -0.044 0.000 0.593 2 M N 3.264 122.828 119.600 -0.061 0.000 2.211 2 M HA 0.344 4.848 4.480 0.041 0.000 0.356 2 M C 1.852 178.037 176.300 -0.192 0.000 1.216 2 M CA -0.393 54.854 55.300 -0.089 0.000 1.134 2 M CB 0.945 33.513 32.600 -0.052 0.000 1.564 2 M HN 1.068 nan 8.290 nan 0.000 0.463 3 S N 2.625 118.139 115.700 -0.309 0.000 2.382 3 S HA -0.074 4.421 4.470 0.041 0.000 0.228 3 S C 0.106 174.289 174.600 -0.695 0.000 1.027 3 S CA 0.971 58.861 58.200 -0.517 0.000 0.991 3 S CB -0.148 62.648 63.200 -0.674 0.000 0.823 3 S HN 0.641 nan 8.310 nan 0.000 0.469 4 Y N 0.647 120.784 120.300 -0.272 0.000 2.597 4 Y HA 0.558 5.132 4.550 0.041 0.000 0.340 4 Y C -0.346 175.248 175.900 -0.510 0.000 1.097 4 Y CA -0.898 56.918 58.100 -0.475 0.000 1.037 4 Y CB 2.050 40.102 38.460 -0.681 0.000 1.305 4 Y HN 0.146 nan 8.280 nan 0.000 0.463 5 T N -2.076 112.189 114.554 -0.481 0.000 2.879 5 T HA 0.628 5.003 4.350 0.041 0.000 0.290 5 T C -1.425 172.990 174.700 -0.476 0.000 0.993 5 T CA -0.795 61.114 62.100 -0.319 0.000 0.975 5 T CB 0.703 69.504 68.868 -0.112 0.000 0.981 5 T HN 0.496 nan 8.240 nan 0.000 0.439 6 W N 1.504 122.857 121.300 0.088 0.000 2.627 6 W HA 0.516 5.200 4.660 0.040 0.000 0.339 6 W C 1.586 178.134 176.519 0.048 0.000 1.058 6 W CA -0.638 56.743 57.345 0.061 0.000 1.223 6 W CB 1.788 31.268 29.460 0.033 0.000 1.389 6 W HN 0.876 nan 8.180 nan 0.000 0.541 7 T N -2.423 112.297 114.554 0.276 0.000 3.031 7 T HA 0.328 4.703 4.350 0.041 0.000 0.254 7 T C 1.400 176.185 174.700 0.142 0.000 1.060 7 T CA 1.056 63.254 62.100 0.163 0.000 1.135 7 T CB -0.046 68.897 68.868 0.124 0.000 0.896 7 T HN 1.120 nan 8.240 nan 0.000 0.472 8 G N 1.150 110.046 108.800 0.159 0.000 2.480 8 G HA2 0.134 4.118 3.960 0.041 0.000 0.193 8 G HA3 0.134 4.118 3.960 0.041 0.000 0.193 8 G C 0.383 175.320 174.900 0.062 0.000 1.004 8 G CA -0.124 45.030 45.100 0.090 0.000 0.696 8 G HN 1.012 nan 8.290 nan 0.000 0.478 9 A N 1.073 123.942 122.820 0.081 0.000 2.520 9 A HA 0.605 4.950 4.320 0.041 0.000 0.235 9 A C 0.739 178.346 177.584 0.038 0.000 1.065 9 A CA 0.360 52.431 52.037 0.057 0.000 0.764 9 A CB 0.138 19.178 19.000 0.068 0.000 1.002 9 A HN 0.824 nan 8.150 nan 0.000 0.502 10 L N 1.598 122.829 121.223 0.013 0.000 2.399 10 L HA 0.312 4.676 4.340 0.041 0.000 0.266 10 L C 0.073 176.940 176.870 -0.005 0.000 1.114 10 L CA -0.366 54.465 54.840 -0.015 0.000 0.804 10 L CB 0.877 42.926 42.059 -0.017 0.000 1.146 10 L HN 0.567 nan 8.230 nan 0.000 0.451 11 I N 1.754 122.305 120.570 -0.032 0.000 2.308 11 I HA 0.069 4.263 4.170 0.041 0.000 0.293 11 I C 0.453 176.571 176.117 0.001 0.000 1.078 11 I CA -0.092 61.202 61.300 -0.010 0.000 1.292 11 I CB 0.719 38.695 38.000 -0.040 0.000 1.423 11 I HN 0.642 nan 8.210 nan 0.000 0.493 12 T N 5.145 119.709 114.554 0.016 0.000 2.907 12 T HA 0.525 4.900 4.350 0.041 0.000 0.284 12 T C -2.363 172.356 174.700 0.031 0.000 1.004 12 T CA -1.944 60.168 62.100 0.020 0.000 1.063 12 T CB 1.609 70.488 68.868 0.018 0.000 0.992 12 T HN 0.283 nan 8.240 nan 0.000 0.483 13 P HA 0.246 nan 4.420 nan 0.000 0.281 13 P C 0.207 177.532 177.300 0.042 0.000 1.249 13 P CA -0.701 62.425 63.100 0.042 0.000 0.810 13 P CB 1.225 32.950 31.700 0.041 0.000 1.008 14 C N 1.482 120.812 119.300 0.049 0.000 2.697 14 C HA 0.617 5.101 4.460 0.041 0.000 0.267 14 C C 0.674 175.688 174.990 0.039 0.000 1.278 14 C CA 0.731 59.776 59.018 0.045 0.000 1.708 14 C CB -1.820 25.954 27.740 0.056 0.000 1.860 14 C HN 0.750 nan 8.230 nan 0.000 0.589 15 A N -0.628 122.218 122.820 0.043 0.000 2.490 15 A HA 0.611 4.955 4.320 0.041 0.000 0.292 15 A C -0.599 177.015 177.584 0.049 0.000 1.047 15 A CA 0.073 52.135 52.037 0.042 0.000 0.632 15 A CB -0.591 18.436 19.000 0.045 0.000 1.323 15 A HN 1.194 nan 8.150 nan 0.000 0.448 16 A N 0.402 123.251 122.820 0.049 0.000 2.566 16 A HA 0.459 4.803 4.320 0.041 0.000 0.245 16 A C 0.116 177.744 177.584 0.074 0.000 1.056 16 A CA 0.795 52.866 52.037 0.056 0.000 0.757 16 A CB -0.529 18.502 19.000 0.051 0.000 0.979 16 A HN 0.568 nan 8.150 nan 0.000 0.508 17 E N 1.709 121.957 120.200 0.080 0.000 2.156 17 E HA 0.350 4.725 4.350 0.041 0.000 0.279 17 E C -0.821 175.861 176.600 0.136 0.000 0.965 17 E CA -0.516 55.945 56.400 0.102 0.000 0.789 17 E CB 1.248 30.998 29.700 0.084 0.000 1.098 17 E HN 0.671 nan 8.360 nan 0.000 0.397 18 E N 0.856 121.176 120.200 0.200 0.000 2.197 18 E HA 0.139 4.514 4.350 0.041 0.000 0.281 18 E C -0.129 176.694 176.600 0.372 0.000 0.995 18 E CA -0.045 56.529 56.400 0.291 0.000 0.808 18 E CB 0.977 30.901 29.700 0.372 0.000 1.093 18 E HN 0.468 nan 8.360 nan 0.000 0.394 19 S N 2.251 118.161 115.700 0.351 0.000 2.733 19 S HA 0.282 4.776 4.470 0.041 0.000 0.247 19 S C 0.275 175.137 174.600 0.438 0.000 1.043 19 S CA -0.533 57.863 58.200 0.327 0.000 1.066 19 S CB 0.319 63.653 63.200 0.224 0.000 1.045 19 S HN 0.157 nan 8.310 nan 0.000 0.586 20 K N 1.585 122.244 120.400 0.432 0.000 2.270 20 K HA 0.614 4.958 4.320 0.041 0.000 0.255 20 K C -1.289 175.436 176.600 0.209 0.000 0.936 20 K CA -1.014 55.468 56.287 0.326 0.000 0.809 20 K CB 1.455 34.057 32.500 0.169 0.000 1.131 20 K HN 0.178 nan 8.250 nan 0.000 0.427 21 L N 6.875 128.219 121.223 0.202 0.000 2.283 21 L HA 0.429 4.794 4.340 0.041 0.000 0.287 21 L C -2.183 174.603 176.870 -0.141 0.000 1.073 21 L CA -1.545 53.246 54.840 -0.081 0.000 0.822 21 L CB 0.247 42.406 42.059 0.167 0.000 1.186 21 L HN 0.612 nan 8.230 nan 0.000 0.436 22 P HA 0.040 nan 4.420 nan 0.000 0.269 22 P C -0.393 176.786 177.300 -0.200 0.000 1.209 22 P CA -0.273 62.702 63.100 -0.209 0.000 0.776 22 P CB 0.625 32.195 31.700 -0.216 0.000 0.876 23 I N 2.779 123.215 120.570 -0.222 0.000 2.577 23 I HA 0.023 4.218 4.170 0.041 0.000 0.299 23 I C 1.205 177.254 176.117 -0.113 0.000 1.157 23 I CA 0.441 61.616 61.300 -0.208 0.000 1.418 23 I CB -1.631 36.236 38.000 -0.222 0.000 1.467 23 I HN 0.285 nan 8.210 nan 0.000 0.624 24 N N 4.015 122.666 118.700 -0.082 0.000 2.487 24 N HA 0.352 5.116 4.740 0.041 0.000 0.292 24 N C 0.945 176.442 175.510 -0.022 0.000 1.108 24 N CA 0.047 53.063 53.050 -0.057 0.000 0.956 24 N CB 1.874 40.327 38.487 -0.057 0.000 1.176 24 N HN 0.497 nan 8.380 nan 0.000 0.484 25 A N 3.724 126.532 122.820 -0.021 0.000 1.930 25 A HA -0.034 4.310 4.320 0.041 0.000 0.217 25 A C 2.110 179.699 177.584 0.008 0.000 1.175 25 A CA 1.082 53.114 52.037 -0.008 0.000 0.627 25 A CB -0.325 18.665 19.000 -0.016 0.000 0.815 25 A HN 0.722 nan 8.150 nan 0.000 0.443 26 L N -1.438 119.793 121.223 0.014 0.000 2.202 26 L HA -0.025 4.340 4.340 0.041 0.000 0.205 26 L C 2.802 179.739 176.870 0.112 0.000 1.083 26 L CA 1.100 55.968 54.840 0.048 0.000 0.790 26 L CB -0.275 41.791 42.059 0.012 0.000 0.942 26 L HN 0.453 nan 8.230 nan 0.000 0.452 27 S N 0.448 116.189 115.700 0.069 0.000 2.383 27 S HA -0.202 4.292 4.470 0.041 0.000 0.227 27 S C 1.754 176.390 174.600 0.059 0.000 1.026 27 S CA 1.774 60.011 58.200 0.062 0.000 0.981 27 S CB -0.227 62.991 63.200 0.030 0.000 0.818 27 S HN 0.431 nan 8.310 nan 0.000 0.472 28 N N 0.886 119.621 118.700 0.057 0.000 2.309 28 N HA -0.064 4.700 4.740 0.041 0.000 0.182 28 N C 1.743 177.284 175.510 0.053 0.000 1.018 28 N CA 1.538 54.629 53.050 0.068 0.000 0.876 28 N CB -0.236 38.286 38.487 0.059 0.000 0.972 28 N HN 0.520 nan 8.380 nan 0.000 0.434 29 S N -0.953 114.778 115.700 0.053 0.000 2.489 29 S HA -0.042 4.453 4.470 0.041 0.000 0.228 29 S C 1.676 176.318 174.600 0.071 0.000 0.995 29 S CA 0.355 58.575 58.200 0.033 0.000 0.934 29 S CB -0.166 63.056 63.200 0.036 0.000 0.771 29 S HN 0.317 nan 8.310 nan 0.000 0.522 30 L N 0.262 121.545 121.223 0.100 0.000 2.200 30 L HA 0.572 4.937 4.340 0.041 0.000 0.200 30 L C 0.257 177.192 176.870 0.109 0.000 1.072 30 L CA 0.930 55.845 54.840 0.126 0.000 0.787 30 L CB 0.072 41.989 42.059 -0.235 0.000 0.957 30 L HN 0.509 nan 8.230 nan 0.000 0.459 31 L N -0.618 120.637 121.223 0.053 0.000 2.470 31 L HA 0.402 4.767 4.340 0.041 0.000 0.268 31 L C 0.462 177.364 176.870 0.052 0.000 0.964 31 L CA -0.501 54.360 54.840 0.035 0.000 0.839 31 L CB 1.542 43.628 42.059 0.044 0.000 1.276 31 L HN 0.051 nan 8.230 nan 0.000 0.403 32 R N 1.677 122.176 120.500 -0.001 0.000 2.112 32 R HA 0.109 4.474 4.340 0.041 0.000 0.216 32 R C 0.202 176.569 176.300 0.111 0.000 1.080 32 R CA 0.394 56.535 56.100 0.069 0.000 0.996 32 R CB 0.021 30.351 30.300 0.050 0.000 0.902 32 R HN 0.680 nan 8.270 nan 0.000 0.449 33 H N 1.608 120.647 119.070 -0.052 0.000 3.268 33 H HA -0.005 4.575 4.556 0.041 0.000 0.213 33 H C 0.856 176.117 175.328 -0.112 0.000 1.858 33 H CA -0.465 55.500 56.048 -0.139 0.000 1.386 33 H CB -0.158 29.572 29.762 -0.054 0.000 1.734 33 H HN 0.450 nan 8.280 nan 0.000 0.612 34 H N -0.831 118.343 119.070 0.173 0.000 2.489 34 H HA -0.122 4.459 4.556 0.042 0.000 0.295 34 H C 1.331 176.749 175.328 0.150 0.000 1.082 34 H CA 0.909 57.041 56.048 0.139 0.000 1.295 34 H CB -0.078 29.741 29.762 0.094 0.000 1.380 34 H HN 0.367 nan 8.280 nan 0.000 0.548 35 N N 0.325 119.076 118.700 0.085 0.000 2.512 35 N HA -0.032 4.733 4.740 0.041 0.000 0.183 35 N C 1.085 176.687 175.510 0.153 0.000 1.073 35 N CA 0.978 54.126 53.050 0.163 0.000 0.911 35 N CB 0.003 38.520 38.487 0.051 0.000 0.964 35 N HN 0.549 nan 8.380 nan 0.000 0.447 36 M N -0.011 119.684 119.600 0.158 0.000 2.509 36 M HA 0.093 4.597 4.480 0.041 0.000 0.250 36 M C 0.052 176.524 176.300 0.286 0.000 1.132 36 M CA 0.312 55.723 55.300 0.185 0.000 1.080 36 M CB 0.715 33.410 32.600 0.159 0.000 1.408 36 M HN -0.263 nan 8.290 nan 0.000 0.484 37 V N 2.030 122.124 119.914 0.301 0.000 2.364 37 V HA 0.237 4.381 4.120 0.041 0.000 0.272 37 V C -0.697 175.648 176.094 0.418 0.000 1.036 37 V CA -0.693 61.802 62.300 0.324 0.000 0.880 37 V CB -0.192 31.815 31.823 0.306 0.000 0.991 37 V HN 0.273 nan 8.190 nan 0.000 0.460 38 Y N 3.065 123.477 120.300 0.187 0.000 2.633 38 Y HA 0.952 5.527 4.550 0.042 0.000 0.339 38 Y C -0.279 175.602 175.900 -0.031 0.000 1.045 38 Y CA -1.846 56.349 58.100 0.158 0.000 1.098 38 Y CB 1.773 40.314 38.460 0.135 0.000 1.296 38 Y HN 0.606 nan 8.280 nan 0.000 0.494 39 A N 1.334 124.096 122.820 -0.096 0.000 2.343 39 A HA 0.636 4.981 4.320 0.041 0.000 0.316 39 A C -0.217 177.354 177.584 -0.021 0.000 1.104 39 A CA -0.443 51.355 52.037 -0.398 0.000 0.768 39 A CB 0.412 18.984 19.000 -0.712 0.000 1.213 39 A HN 1.067 nan 8.150 nan 0.000 0.456 40 T N 0.317 114.860 114.554 -0.019 0.000 2.918 40 T HA 0.559 4.933 4.350 0.041 0.000 0.302 40 T C 0.424 175.166 174.700 0.070 0.000 1.045 40 T CA 0.462 62.641 62.100 0.131 0.000 1.114 40 T CB 0.697 69.663 68.868 0.165 0.000 0.965 40 T HN 1.518 nan 8.240 nan 0.000 0.540 41 T N -2.005 112.603 114.554 0.090 0.000 2.812 41 T HA 0.485 4.859 4.350 0.041 0.000 0.294 41 T C 1.301 176.034 174.700 0.054 0.000 1.159 41 T CA -0.268 61.873 62.100 0.068 0.000 1.008 41 T CB 1.223 70.138 68.868 0.078 0.000 1.289 41 T HN 0.741 nan 8.240 nan 0.000 0.514 42 S N -0.105 115.620 115.700 0.042 0.000 2.500 42 S HA -0.089 4.406 4.470 0.041 0.000 0.239 42 S C 1.693 176.299 174.600 0.011 0.000 0.989 42 S CA 0.254 58.468 58.200 0.024 0.000 0.951 42 S CB -0.672 62.542 63.200 0.023 0.000 0.759 42 S HN 0.707 nan 8.310 nan 0.000 0.523 43 R N 1.491 122.004 120.500 0.023 0.000 2.241 43 R HA -0.006 4.359 4.340 0.041 0.000 0.224 43 R C 1.914 178.215 176.300 0.002 0.000 1.101 43 R CA 1.354 57.462 56.100 0.014 0.000 0.995 43 R CB -0.358 29.958 30.300 0.027 0.000 0.870 43 R HN 0.728 nan 8.270 nan 0.000 0.463 44 S N -1.140 114.565 115.700 0.008 0.000 2.539 44 S HA 0.247 4.741 4.470 0.041 0.000 0.221 44 S C 1.770 176.353 174.600 -0.028 0.000 0.987 44 S CA 0.109 58.308 58.200 -0.003 0.000 0.929 44 S CB 0.953 64.168 63.200 0.025 0.000 0.832 44 S HN 0.237 nan 8.310 nan 0.000 0.492 45 A N 2.119 124.915 122.820 -0.040 0.000 1.986 45 A HA 0.098 4.443 4.320 0.041 0.000 0.220 45 A C 2.240 179.732 177.584 -0.154 0.000 1.171 45 A CA 1.723 53.710 52.037 -0.083 0.000 0.640 45 A CB -1.654 17.296 19.000 -0.084 0.000 0.811 45 A HN 0.664 nan 8.150 nan 0.000 0.451 46 G N -0.320 108.394 108.800 -0.144 0.000 2.422 46 G HA2 -0.153 3.832 3.960 0.041 0.000 0.218 46 G HA3 -0.153 3.832 3.960 0.041 0.000 0.218 46 G C 1.526 176.333 174.900 -0.155 0.000 1.146 46 G CA 1.030 46.019 45.100 -0.185 0.000 0.769 46 G HN 0.464 nan 8.290 nan 0.000 0.547 47 L N -0.332 120.834 121.223 -0.094 0.000 2.056 47 L HA 0.016 4.381 4.340 0.041 0.000 0.207 47 L C 2.886 179.726 176.870 -0.050 0.000 1.078 47 L CA 1.088 55.893 54.840 -0.059 0.000 0.749 47 L CB -0.291 41.747 42.059 -0.035 0.000 0.901 47 L HN 0.142 nan 8.230 nan 0.000 0.433 48 R N 0.555 121.021 120.500 -0.058 0.000 2.073 48 R HA -0.161 4.203 4.340 0.041 0.000 0.234 48 R C 2.235 178.502 176.300 -0.054 0.000 1.134 48 R CA 1.604 57.686 56.100 -0.030 0.000 0.952 48 R CB -0.485 29.800 30.300 -0.023 0.000 0.850 48 R HN 0.352 nan 8.270 nan 0.000 0.433 49 Q N 0.184 119.865 119.800 -0.198 0.000 2.133 49 Q HA -0.227 4.138 4.340 0.041 0.000 0.208 49 Q C 2.016 177.963 176.000 -0.087 0.000 0.991 49 Q CA 2.185 57.786 55.803 -0.336 0.000 0.867 49 Q CB -0.186 28.025 28.738 -0.878 0.000 0.911 49 Q HN 0.377 nan 8.270 nan 0.000 0.417 50 K N 0.722 121.081 120.400 -0.068 0.000 2.057 50 K HA -0.120 4.224 4.320 0.041 0.000 0.206 50 K C 2.036 178.720 176.600 0.140 0.000 1.050 50 K CA 1.052 57.364 56.287 0.042 0.000 0.935 50 K CB -0.018 32.488 32.500 0.009 0.000 0.715 50 K HN 0.110 nan 8.250 nan 0.000 0.439 51 K N 0.682 121.155 120.400 0.123 0.000 2.057 51 K HA -0.104 4.241 4.320 0.041 0.000 0.206 51 K C 2.033 178.842 176.600 0.349 0.000 1.050 51 K CA 1.555 57.953 56.287 0.185 0.000 0.935 51 K CB -0.076 32.498 32.500 0.124 0.000 0.715 51 K HN 0.119 nan 8.250 nan 0.000 0.439 52 V N -1.370 118.734 119.914 0.316 0.000 3.461 52 V HA 0.030 4.175 4.120 0.041 0.000 0.267 52 V C 0.460 176.720 176.094 0.277 0.000 1.186 52 V CA 0.363 62.894 62.300 0.383 0.000 1.154 52 V CB -0.159 31.856 31.823 0.320 0.000 0.802 52 V HN -0.023 nan 8.190 nan 0.000 0.474 53 T N 4.415 119.179 114.554 0.350 0.000 2.733 53 T HA 0.703 5.077 4.350 0.041 0.000 0.294 53 T C -0.750 174.112 174.700 0.269 0.000 0.956 53 T CA 0.022 62.290 62.100 0.281 0.000 0.987 53 T CB 0.246 69.404 68.868 0.484 0.000 0.920 53 T HN 0.664 nan 8.240 nan 0.000 0.470 54 F N -0.000 120.053 119.950 0.172 0.000 2.799 54 F HA 0.570 5.122 4.527 0.041 0.000 0.316 54 F C -1.236 174.602 175.800 0.063 0.000 1.155 54 F CA -1.781 56.281 58.000 0.104 0.000 0.916 54 F CB 0.602 39.654 39.000 0.088 0.000 1.294 54 F HN 0.313 nan 8.300 nan 0.000 0.447 55 D N 0.638 121.225 120.400 0.312 0.000 2.302 55 D HA 0.515 5.180 4.640 0.041 0.000 0.248 55 D C -0.890 175.563 176.300 0.255 0.000 1.094 55 D CA -0.016 54.092 54.000 0.179 0.000 0.897 55 D CB 0.882 41.754 40.800 0.120 0.000 1.200 55 D HN 0.598 nan 8.370 nan 0.000 0.429 56 R N 2.451 123.033 120.500 0.136 0.000 2.343 56 R HA 0.486 4.850 4.340 0.041 0.000 0.320 56 R C -1.081 175.256 176.300 0.062 0.000 0.956 56 R CA -0.879 55.301 56.100 0.133 0.000 0.836 56 R CB 1.182 31.532 30.300 0.084 0.000 1.151 56 R HN 0.395 nan 8.270 nan 0.000 0.450 57 L N 2.273 123.528 121.223 0.053 0.000 2.272 57 L HA 0.447 4.811 4.340 0.041 0.000 0.289 57 L C -0.877 175.996 176.870 0.005 0.000 1.032 57 L CA 0.055 54.907 54.840 0.019 0.000 0.810 57 L CB 1.324 43.390 42.059 0.012 0.000 1.205 57 L HN 0.636 nan 8.230 nan 0.000 0.422 58 Q N 3.953 123.747 119.800 -0.011 0.000 2.310 58 Q HA 0.645 5.010 4.340 0.041 0.000 0.270 58 Q C -1.980 173.995 176.000 -0.041 0.000 1.025 58 Q CA -0.643 55.146 55.803 -0.024 0.000 0.772 58 Q CB 1.955 30.671 28.738 -0.037 0.000 1.253 58 Q HN 0.561 nan 8.270 nan 0.000 0.450 59 V N 5.976 125.869 119.914 -0.036 0.000 2.380 59 V HA 0.380 4.524 4.120 0.041 0.000 0.286 59 V C -0.258 175.828 176.094 -0.012 0.000 1.015 59 V CA -0.613 61.663 62.300 -0.040 0.000 0.834 59 V CB 1.136 32.933 31.823 -0.044 0.000 1.009 59 V HN 0.763 nan 8.190 nan 0.000 0.428 60 L N 4.625 125.804 121.223 -0.074 0.000 2.421 60 L HA 0.716 5.081 4.340 0.041 0.000 0.263 60 L C 0.009 176.898 176.870 0.033 0.000 1.122 60 L CA -0.376 54.397 54.840 -0.111 0.000 0.804 60 L CB 1.326 43.154 42.059 -0.385 0.000 1.150 60 L HN 0.761 nan 8.230 nan 0.000 0.457 61 D N -1.735 118.754 120.400 0.148 0.000 2.781 61 D HA 0.192 4.857 4.640 0.041 0.000 0.295 61 D C 0.020 176.388 176.300 0.114 0.000 1.143 61 D CA -0.591 53.480 54.000 0.119 0.000 1.076 61 D CB 0.479 41.358 40.800 0.131 0.000 1.444 61 D HN 0.262 nan 8.370 nan 0.000 0.567 62 D N -1.333 119.070 120.400 0.004 0.000 2.178 62 D HA -0.134 4.531 4.640 0.041 0.000 0.201 62 D C 1.645 177.931 176.300 -0.023 0.000 0.980 62 D CA 1.197 55.166 54.000 -0.051 0.000 0.842 62 D CB -0.186 40.520 40.800 -0.158 0.000 0.948 62 D HN 0.388 nan 8.370 nan 0.000 0.472 63 H N -0.770 118.365 119.070 0.108 0.000 2.357 63 H HA -0.127 4.453 4.556 0.041 0.000 0.301 63 H C 1.975 177.333 175.328 0.050 0.000 1.082 63 H CA 0.915 57.013 56.048 0.084 0.000 1.342 63 H CB -0.650 29.184 29.762 0.119 0.000 1.389 63 H HN 0.289 nan 8.280 nan 0.000 0.511 64 Y N 2.025 122.357 120.300 0.054 0.000 2.097 64 Y HA -0.234 4.341 4.550 0.041 0.000 0.282 64 Y C 2.701 178.554 175.900 -0.079 0.000 1.152 64 Y CA 1.644 59.658 58.100 -0.142 0.000 1.136 64 Y CB -0.071 38.236 38.460 -0.255 0.000 0.975 64 Y HN -0.048 nan 8.280 nan 0.000 0.498 65 R N 0.056 120.633 120.500 0.128 0.000 2.096 65 R HA -0.153 4.211 4.340 0.041 0.000 0.235 65 R C 1.800 178.082 176.300 -0.031 0.000 1.127 65 R CA 1.451 57.575 56.100 0.040 0.000 0.968 65 R CB -0.320 30.028 30.300 0.081 0.000 0.861 65 R HN 0.455 nan 8.270 nan 0.000 0.440 66 D N 0.119 120.517 120.400 -0.004 0.000 2.117 66 D HA -0.118 4.547 4.640 0.041 0.000 0.197 66 D C 1.994 178.273 176.300 -0.034 0.000 0.987 66 D CA 1.100 55.099 54.000 -0.002 0.000 0.829 66 D CB -0.153 40.672 40.800 0.042 0.000 0.961 66 D HN 0.017 nan 8.370 nan 0.000 0.460 67 V N 1.369 121.240 119.914 -0.072 0.000 2.358 67 V HA -0.206 3.939 4.120 0.041 0.000 0.246 67 V C 2.507 178.522 176.094 -0.131 0.000 1.047 67 V CA 1.000 63.238 62.300 -0.104 0.000 1.035 67 V CB -0.474 31.248 31.823 -0.169 0.000 0.658 67 V HN 0.119 nan 8.190 nan 0.000 0.452 68 L N 0.577 121.658 121.223 -0.236 0.000 2.079 68 L HA -0.188 4.177 4.340 0.041 0.000 0.210 68 L C 2.393 179.196 176.870 -0.112 0.000 1.081 68 L CA 2.203 56.909 54.840 -0.224 0.000 0.752 68 L CB -0.802 41.070 42.059 -0.311 0.000 0.896 68 L HN 0.287 nan 8.230 nan 0.000 0.433 69 K N -0.503 119.849 120.400 -0.080 0.000 2.057 69 K HA -0.194 4.151 4.320 0.041 0.000 0.207 69 K C 1.892 178.474 176.600 -0.031 0.000 1.049 69 K CA 1.813 58.074 56.287 -0.043 0.000 0.931 69 K CB -0.089 32.395 32.500 -0.026 0.000 0.714 69 K HN 0.537 nan 8.250 nan 0.000 0.440 70 E N 0.130 120.315 120.200 -0.024 0.000 2.107 70 E HA -0.151 4.224 4.350 0.041 0.000 0.191 70 E C 2.083 178.679 176.600 -0.006 0.000 0.982 70 E CA 1.231 57.628 56.400 -0.005 0.000 0.809 70 E CB -0.055 29.652 29.700 0.012 0.000 0.756 70 E HN 0.346 nan 8.360 nan 0.000 0.459 71 M N 0.731 120.324 119.600 -0.012 0.000 2.117 71 M HA -0.159 4.346 4.480 0.041 0.000 0.262 71 M C 2.118 178.391 176.300 -0.046 0.000 1.065 71 M CA 1.447 56.732 55.300 -0.024 0.000 1.114 71 M CB -0.097 32.487 32.600 -0.026 0.000 1.361 71 M HN -0.056 nan 8.290 nan 0.000 0.408 72 K N 0.200 120.571 120.400 -0.048 0.000 2.097 72 K HA -0.051 4.293 4.320 0.041 0.000 0.205 72 K C 2.114 178.698 176.600 -0.028 0.000 1.050 72 K CA 1.289 57.550 56.287 -0.043 0.000 0.938 72 K CB -0.221 32.255 32.500 -0.041 0.000 0.718 72 K HN 0.287 nan 8.250 nan 0.000 0.442 73 A N 1.921 124.728 122.820 -0.022 0.000 1.902 73 A HA -0.180 4.164 4.320 0.041 0.000 0.217 73 A C 1.950 179.524 177.584 -0.017 0.000 1.181 73 A CA 1.443 53.471 52.037 -0.015 0.000 0.623 73 A CB -0.185 18.810 19.000 -0.010 0.000 0.818 73 A HN 0.066 nan 8.150 nan 0.000 0.443 74 K N -0.308 120.078 120.400 -0.023 0.000 2.057 74 K HA 0.010 4.355 4.320 0.041 0.000 0.206 74 K C 2.263 178.842 176.600 -0.036 0.000 1.050 74 K CA 1.233 57.501 56.287 -0.031 0.000 0.935 74 K CB -0.679 31.795 32.500 -0.043 0.000 0.715 74 K HN 0.439 nan 8.250 nan 0.000 0.439 75 A N 1.063 123.860 122.820 -0.038 0.000 1.972 75 A HA -0.112 4.232 4.320 0.041 0.000 0.219 75 A C 2.246 179.822 177.584 -0.012 0.000 1.169 75 A CA 1.745 53.765 52.037 -0.028 0.000 0.635 75 A CB -0.447 18.537 19.000 -0.026 0.000 0.810 75 A HN 0.217 nan 8.150 nan 0.000 0.446 76 S N -0.315 115.379 115.700 -0.011 0.000 2.469 76 S HA -0.109 4.386 4.470 0.041 0.000 0.238 76 S C 1.916 176.514 174.600 -0.004 0.000 0.998 76 S CA 1.626 59.824 58.200 -0.004 0.000 0.957 76 S CB -0.476 62.721 63.200 -0.005 0.000 0.764 76 S HN 0.907 nan 8.310 nan 0.000 0.514 77 T N -0.955 113.593 114.554 -0.010 0.000 3.129 77 T HA 0.226 4.601 4.350 0.041 0.000 0.251 77 T C 0.407 175.100 174.700 -0.011 0.000 1.117 77 T CA -0.134 61.960 62.100 -0.010 0.000 1.034 77 T CB -0.191 68.669 68.868 -0.014 0.000 0.968 77 T HN 0.014 nan 8.240 nan 0.000 0.526 78 V N 1.646 121.554 119.914 -0.011 0.000 2.481 78 V HA 0.476 4.620 4.120 0.041 0.000 0.286 78 V C -0.053 176.041 176.094 -0.000 0.000 1.042 78 V CA -0.995 61.298 62.300 -0.011 0.000 0.928 78 V CB 1.544 33.356 31.823 -0.019 0.000 0.986 78 V HN 0.347 nan 8.190 nan 0.000 0.462 79 K N 3.286 123.686 120.400 0.000 0.000 2.358 79 K HA 0.772 5.117 4.320 0.041 0.000 0.260 79 K C -0.708 175.897 176.600 0.008 0.000 0.956 79 K CA -0.394 55.898 56.287 0.008 0.000 0.834 79 K CB 1.555 34.060 32.500 0.008 0.000 1.102 79 K HN 0.848 nan 8.250 nan 0.000 0.431 80 A N 3.766 126.595 122.820 0.015 0.000 2.355 80 A HA 0.633 4.978 4.320 0.041 0.000 0.324 80 A C -1.255 176.346 177.584 0.029 0.000 1.117 80 A CA -0.849 51.197 52.037 0.016 0.000 0.785 80 A CB 1.127 20.131 19.000 0.008 0.000 1.254 80 A HN 0.641 nan 8.150 nan 0.000 0.453 81 K N 0.318 120.739 120.400 0.035 0.000 2.118 81 K HA 0.625 4.970 4.320 0.041 0.000 0.254 81 K C -0.732 175.900 176.600 0.054 0.000 0.961 81 K CA -0.597 55.714 56.287 0.041 0.000 0.876 81 K CB 1.257 33.778 32.500 0.036 0.000 1.077 81 K HN 0.496 nan 8.250 nan 0.000 0.440 82 L N 2.298 123.550 121.223 0.048 0.000 2.349 82 L HA 0.322 4.686 4.340 0.041 0.000 0.275 82 L C -1.009 175.866 176.870 0.008 0.000 1.115 82 L CA -0.368 54.500 54.840 0.047 0.000 0.820 82 L CB 0.422 42.509 42.059 0.046 0.000 1.135 82 L HN 0.435 nan 8.230 nan 0.000 0.445 83 L N 3.512 124.732 121.223 -0.005 0.000 2.350 83 L HA 0.425 4.789 4.340 0.041 0.000 0.275 83 L C 0.459 177.262 176.870 -0.112 0.000 1.099 83 L CA 0.365 55.184 54.840 -0.034 0.000 0.808 83 L CB 1.432 43.481 42.059 -0.016 0.000 1.149 83 L HN 0.859 nan 8.230 nan 0.000 0.442 84 S N 1.821 117.460 115.700 -0.102 0.000 2.600 84 S HA 0.192 4.687 4.470 0.041 0.000 0.265 84 S C 1.270 175.783 174.600 -0.146 0.000 1.325 84 S CA -0.629 57.495 58.200 -0.127 0.000 1.002 84 S CB 0.871 64.019 63.200 -0.087 0.000 0.921 84 S HN 0.353 nan 8.310 nan 0.000 0.554 85 V N 2.171 121.998 119.914 -0.146 0.000 2.332 85 V HA -0.179 3.965 4.120 0.041 0.000 0.248 85 V C 2.906 178.927 176.094 -0.121 0.000 1.055 85 V CA 2.195 64.412 62.300 -0.139 0.000 1.038 85 V CB -1.278 30.484 31.823 -0.102 0.000 0.651 85 V HN 1.006 nan 8.190 nan 0.000 0.450 86 E N 0.732 120.871 120.200 -0.102 0.000 2.077 86 E HA -0.275 4.099 4.350 0.041 0.000 0.193 86 E C 1.893 178.432 176.600 -0.102 0.000 0.989 86 E CA 1.663 58.006 56.400 -0.094 0.000 0.800 86 E CB -0.481 29.175 29.700 -0.074 0.000 0.746 86 E HN 0.727 nan 8.360 nan 0.000 0.452 87 E N 1.302 121.440 120.200 -0.105 0.000 2.077 87 E HA -0.127 4.247 4.350 0.041 0.000 0.193 87 E C 2.192 178.687 176.600 -0.175 0.000 0.989 87 E CA 1.236 57.562 56.400 -0.123 0.000 0.800 87 E CB -0.195 29.444 29.700 -0.101 0.000 0.746 87 E HN 0.412 nan 8.360 nan 0.000 0.452 88 A N 0.858 123.580 122.820 -0.163 0.000 1.898 88 A HA -0.180 4.164 4.320 0.041 0.000 0.216 88 A C 2.427 179.917 177.584 -0.157 0.000 1.181 88 A CA 1.112 53.044 52.037 -0.175 0.000 0.620 88 A CB -0.828 18.098 19.000 -0.123 0.000 0.819 88 A HN 0.355 nan 8.150 nan 0.000 0.442 89 C N -0.320 118.903 119.300 -0.128 0.000 2.429 89 C HA -0.097 4.388 4.460 0.041 0.000 0.277 89 C C 2.644 177.563 174.990 -0.118 0.000 1.262 89 C CA 1.355 60.308 59.018 -0.108 0.000 1.733 89 C CB -1.076 26.604 27.740 -0.102 0.000 2.010 89 C HN 0.628 nan 8.230 nan 0.000 0.483 90 K N 0.718 121.039 120.400 -0.131 0.000 2.209 90 K HA -0.044 4.300 4.320 0.041 0.000 0.204 90 K C 1.476 177.980 176.600 -0.160 0.000 1.048 90 K CA 0.979 57.193 56.287 -0.122 0.000 0.940 90 K CB -0.221 32.209 32.500 -0.116 0.000 0.729 90 K HN 0.511 nan 8.250 nan 0.000 0.451 91 L N 1.113 122.187 121.223 -0.247 0.000 2.599 91 L HA -0.005 4.360 4.340 0.041 0.000 0.230 91 L C 0.339 177.081 176.870 -0.213 0.000 1.141 91 L CA 0.214 54.845 54.840 -0.350 0.000 0.877 91 L CB -0.268 41.481 42.059 -0.516 0.000 1.009 91 L HN 0.032 nan 8.230 nan 0.000 0.447 92 T N 1.514 115.979 114.554 -0.147 0.000 2.794 92 T HA 0.207 4.582 4.350 0.041 0.000 0.296 92 T C -2.295 172.297 174.700 -0.180 0.000 0.949 92 T CA -1.111 60.916 62.100 -0.122 0.000 1.101 92 T CB 1.033 69.848 68.868 -0.089 0.000 0.905 92 T HN -0.141 nan 8.240 nan 0.000 0.516 93 P HA 0.143 nan 4.420 nan 0.000 0.268 93 P C -1.893 175.206 177.300 -0.335 0.000 1.204 93 P CA -1.320 61.575 63.100 -0.342 0.000 0.768 93 P CB 0.267 31.882 31.700 -0.141 0.000 0.842 94 P HA -0.169 nan 4.420 nan 0.000 0.218 94 P C 0.373 177.585 177.300 -0.147 0.000 1.146 94 P CA 1.653 64.603 63.100 -0.251 0.000 0.813 94 P CB -0.113 31.459 31.700 -0.213 0.000 0.778 95 H N -2.609 116.335 119.070 -0.211 0.000 2.520 95 H HA 0.266 4.840 4.556 0.030 0.000 0.284 95 H C 0.556 175.812 175.328 -0.120 0.000 1.037 95 H CA -0.436 55.530 56.048 -0.136 0.000 1.168 95 H CB -0.474 29.220 29.762 -0.113 0.000 1.497 95 H HN -0.024 nan 8.280 nan 0.000 0.547 96 S N 1.012 116.690 115.700 -0.037 0.000 2.563 96 S HA 0.301 4.795 4.470 0.041 0.000 0.284 96 S C 0.695 175.267 174.600 -0.047 0.000 1.331 96 S CA -0.367 57.801 58.200 -0.055 0.000 1.047 96 S CB 0.162 63.328 63.200 -0.057 0.000 0.859 96 S HN 0.537 nan 8.310 nan 0.000 0.514 97 A N 4.635 127.423 122.820 -0.054 0.000 2.548 97 A HA 0.241 4.585 4.320 0.041 0.000 0.247 97 A C 0.597 178.173 177.584 -0.013 0.000 1.067 97 A CA -0.182 51.843 52.037 -0.020 0.000 0.757 97 A CB -0.242 18.772 19.000 0.022 0.000 0.996 97 A HN 0.870 nan 8.150 nan 0.000 0.504 98 K N 2.199 122.572 120.400 -0.044 0.000 2.344 98 K HA 0.263 4.608 4.320 0.041 0.000 0.260 98 K C 0.378 176.884 176.600 -0.156 0.000 0.988 98 K CA 0.187 56.413 56.287 -0.101 0.000 0.909 98 K CB 0.299 32.733 32.500 -0.109 0.000 0.968 98 K HN 0.462 nan 8.250 nan 0.000 0.505 99 S N -0.001 115.494 115.700 -0.342 0.000 2.601 99 S HA 0.104 4.599 4.470 0.041 0.000 0.271 99 S C 0.382 174.722 174.600 -0.434 0.000 1.305 99 S CA -0.676 57.253 58.200 -0.451 0.000 1.022 99 S CB 0.749 63.336 63.200 -1.022 0.000 0.940 99 S HN 0.663 nan 8.310 nan 0.000 0.525 100 K N 1.992 122.091 120.400 -0.501 0.000 2.487 100 K HA 0.120 4.464 4.320 0.041 0.000 0.192 100 K C -0.392 175.743 176.600 -0.776 0.000 1.027 100 K CA 0.455 56.378 56.287 -0.606 0.000 1.054 100 K CB -0.027 32.059 32.500 -0.690 0.000 0.824 100 K HN 0.563 nan 8.250 nan 0.000 0.510 101 F N 0.281 120.022 119.950 -0.350 0.000 2.750 101 F HA 0.255 4.807 4.527 0.041 0.000 0.297 101 F C 1.095 176.768 175.800 -0.211 0.000 1.138 101 F CA -0.570 57.242 58.000 -0.314 0.000 1.346 101 F CB 0.777 39.450 39.000 -0.546 0.000 0.965 101 F HN 0.082 nan 8.300 nan 0.000 0.514 102 G N 0.504 109.239 108.800 -0.110 0.000 2.142 102 G HA2 -0.270 3.714 3.960 0.041 0.000 0.225 102 G HA3 -0.270 3.714 3.960 0.041 0.000 0.225 102 G C -0.376 174.580 174.900 0.092 0.000 1.015 102 G CA 0.162 45.261 45.100 -0.001 0.000 0.716 102 G HN 0.558 nan 8.290 nan 0.000 0.508 103 Y N -2.808 117.469 120.300 -0.038 0.000 2.656 103 Y HA 0.760 5.334 4.550 0.040 0.000 0.334 103 Y C 0.303 176.184 175.900 -0.031 0.000 1.179 103 Y CA -1.030 57.051 58.100 -0.032 0.000 1.050 103 Y CB 0.561 39.006 38.460 -0.025 0.000 1.308 103 Y HN 0.758 nan 8.280 nan 0.000 0.456 104 G N -0.092 108.791 108.800 0.138 0.000 3.140 104 G HA2 0.552 4.536 3.960 0.041 0.000 0.271 104 G HA3 0.552 4.536 3.960 0.041 0.000 0.271 104 G C 0.231 175.188 174.900 0.095 0.000 1.370 104 G CA -0.742 44.378 45.100 0.034 0.000 1.014 104 G HN 1.223 nan 8.290 nan 0.000 0.541 105 A N -0.432 122.392 122.820 0.007 0.000 1.908 105 A HA -0.047 4.297 4.320 0.041 0.000 0.218 105 A C 2.231 179.790 177.584 -0.041 0.000 1.181 105 A CA 2.399 54.424 52.037 -0.019 0.000 0.627 105 A CB -0.445 18.509 19.000 -0.077 0.000 0.818 105 A HN 0.465 nan 8.150 nan 0.000 0.445 106 K N 0.293 120.657 120.400 -0.060 0.000 2.057 106 K HA -0.112 4.232 4.320 0.041 0.000 0.207 106 K C 1.577 178.155 176.600 -0.037 0.000 1.049 106 K CA 1.665 57.911 56.287 -0.068 0.000 0.931 106 K CB -0.269 32.184 32.500 -0.078 0.000 0.714 106 K HN 0.539 nan 8.250 nan 0.000 0.440 107 D N -0.357 120.044 120.400 0.002 0.000 2.144 107 D HA -0.135 4.530 4.640 0.041 0.000 0.199 107 D C 1.884 178.165 176.300 -0.032 0.000 0.984 107 D CA 1.053 55.054 54.000 0.002 0.000 0.834 107 D CB -0.101 40.736 40.800 0.062 0.000 0.955 107 D HN -0.029 nan 8.370 nan 0.000 0.465 108 V N 1.502 121.418 119.914 0.003 0.000 2.261 108 V HA -0.239 3.905 4.120 0.041 0.000 0.246 108 V C 2.538 178.593 176.094 -0.064 0.000 1.047 108 V CA 1.602 63.882 62.300 -0.033 0.000 1.015 108 V CB -0.400 31.442 31.823 0.030 0.000 0.642 108 V HN 0.120 nan 8.190 nan 0.000 0.446 109 R N 0.396 120.859 120.500 -0.063 0.000 2.127 109 R HA -0.127 4.237 4.340 0.041 0.000 0.238 109 R C 1.838 178.097 176.300 -0.068 0.000 1.134 109 R CA 1.480 57.535 56.100 -0.076 0.000 0.975 109 R CB -0.397 29.847 30.300 -0.093 0.000 0.865 109 R HN 0.518 nan 8.270 nan 0.000 0.447 110 N N 0.742 119.405 118.700 -0.062 0.000 2.461 110 N HA 0.048 4.812 4.740 0.041 0.000 0.188 110 N C 0.195 175.666 175.510 -0.065 0.000 1.134 110 N CA 0.348 53.364 53.050 -0.057 0.000 0.878 110 N CB 0.210 38.667 38.487 -0.049 0.000 0.972 110 N HN 0.150 nan 8.380 nan 0.000 0.456 111 L N 0.747 121.921 121.223 -0.082 0.000 3.608 111 L HA -0.206 4.159 4.340 0.041 0.000 0.422 111 L C 0.033 176.839 176.870 -0.106 0.000 1.260 111 L CA -0.086 54.694 54.840 -0.100 0.000 0.889 111 L CB -2.611 39.396 42.059 -0.086 0.000 1.821 111 L HN 0.149 nan 8.230 nan 0.000 0.884 112 S N -2.090 113.545 115.700 -0.110 0.000 2.562 112 S HA 0.273 4.767 4.470 0.041 0.000 0.281 112 S C 1.338 175.854 174.600 -0.141 0.000 1.333 112 S CA 0.046 58.183 58.200 -0.104 0.000 1.052 112 S CB 1.829 64.976 63.200 -0.088 0.000 0.884 112 S HN 0.290 nan 8.310 nan 0.000 0.506 113 S N 2.366 118.000 115.700 -0.111 0.000 2.419 113 S HA -0.108 4.386 4.470 0.041 0.000 0.233 113 S C 1.757 176.271 174.600 -0.142 0.000 1.016 113 S CA 1.290 59.417 58.200 -0.121 0.000 0.974 113 S CB -0.384 62.771 63.200 -0.075 0.000 0.786 113 S HN 0.876 nan 8.310 nan 0.000 0.492 114 K N 1.540 121.864 120.400 -0.127 0.000 2.026 114 K HA -0.062 4.283 4.320 0.041 0.000 0.208 114 K C 2.226 178.664 176.600 -0.271 0.000 1.048 114 K CA 1.235 57.448 56.287 -0.123 0.000 0.929 114 K CB -0.353 32.111 32.500 -0.061 0.000 0.713 114 K HN 0.288 nan 8.250 nan 0.000 0.439 115 A N 0.675 123.231 122.820 -0.441 0.000 1.873 115 A HA -0.091 4.253 4.320 0.041 0.000 0.215 115 A C 2.261 179.520 177.584 -0.541 0.000 1.186 115 A CA 1.585 53.092 52.037 -0.883 0.000 0.616 115 A CB -0.704 17.859 19.000 -0.728 0.000 0.823 115 A HN 0.176 nan 8.150 nan 0.000 0.442 116 V N 1.360 121.040 119.914 -0.389 0.000 2.332 116 V HA -0.291 3.854 4.120 0.041 0.000 0.248 116 V C 2.508 178.278 176.094 -0.539 0.000 1.055 116 V CA 2.206 64.239 62.300 -0.445 0.000 1.038 116 V CB -0.987 30.597 31.823 -0.399 0.000 0.651 116 V HN 0.772 nan 8.190 nan 0.000 0.450 117 N N -0.663 117.839 118.700 -0.329 0.000 2.166 117 N HA -0.256 4.508 4.740 0.041 0.000 0.186 117 N C 2.042 177.494 175.510 -0.097 0.000 1.019 117 N CA 1.572 54.517 53.050 -0.176 0.000 0.856 117 N CB -0.220 38.227 38.487 -0.067 0.000 0.993 117 N HN 0.704 nan 8.380 nan 0.000 0.426 118 H N 0.670 119.628 119.070 -0.188 0.000 2.395 118 H HA -0.029 4.551 4.556 0.041 0.000 0.299 118 H C 1.995 177.293 175.328 -0.049 0.000 1.070 118 H CA 0.814 56.806 56.048 -0.095 0.000 1.356 118 H CB 0.246 30.005 29.762 -0.004 0.000 1.401 118 H HN 0.170 nan 8.280 nan 0.000 0.524 119 I N 1.034 121.509 120.570 -0.159 0.000 2.226 119 I HA -0.260 3.934 4.170 0.041 0.000 0.245 119 I C 2.234 178.350 176.117 -0.001 0.000 1.100 119 I CA 1.307 62.550 61.300 -0.094 0.000 1.374 119 I CB -1.577 36.358 38.000 -0.108 0.000 1.057 119 I HN 0.425 nan 8.210 nan 0.000 0.413 120 H N 0.472 119.496 119.070 -0.076 0.000 2.353 120 H HA -0.133 4.448 4.556 0.042 0.000 0.300 120 H C 2.488 177.818 175.328 0.003 0.000 1.090 120 H CA 1.532 57.567 56.048 -0.021 0.000 1.327 120 H CB 0.190 29.925 29.762 -0.044 0.000 1.383 120 H HN 0.392 nan 8.280 nan 0.000 0.508 121 S N 0.324 116.040 115.700 0.028 0.000 2.402 121 S HA -0.104 4.390 4.470 0.041 0.000 0.229 121 S C 2.253 176.791 174.600 -0.104 0.000 1.021 121 S CA 1.049 59.215 58.200 -0.057 0.000 0.974 121 S CB -0.636 62.487 63.200 -0.128 0.000 0.800 121 S HN 0.122 nan 8.310 nan 0.000 0.484 122 V N 0.744 120.552 119.914 -0.177 0.000 2.358 122 V HA -0.095 4.050 4.120 0.041 0.000 0.246 122 V C 2.223 178.332 176.094 0.025 0.000 1.047 122 V CA 1.665 63.889 62.300 -0.127 0.000 1.035 122 V CB -0.967 30.776 31.823 -0.133 0.000 0.658 122 V HN 0.710 nan 8.190 nan 0.000 0.452 123 W N 1.418 122.673 121.300 -0.076 0.000 2.355 123 W HA -0.220 4.465 4.660 0.041 0.000 0.309 123 W C 2.508 178.997 176.519 -0.049 0.000 1.206 123 W CA 2.288 59.608 57.345 -0.040 0.000 1.284 123 W CB -0.126 29.330 29.460 -0.008 0.000 1.145 123 W HN 0.239 nan 8.180 nan 0.000 0.502 124 K N 0.630 121.093 120.400 0.105 0.000 2.063 124 K HA -0.276 4.068 4.320 0.041 0.000 0.208 124 K C 1.724 178.269 176.600 -0.093 0.000 1.048 124 K CA 2.299 58.584 56.287 -0.005 0.000 0.928 124 K CB -0.640 31.877 32.500 0.028 0.000 0.713 124 K HN -0.002 nan 8.250 nan 0.000 0.442 125 D N 0.320 120.670 120.400 -0.084 0.000 2.144 125 D HA -0.140 4.524 4.640 0.041 0.000 0.199 125 D C 1.982 178.199 176.300 -0.139 0.000 0.984 125 D CA 0.962 54.904 54.000 -0.097 0.000 0.834 125 D CB 0.056 40.804 40.800 -0.086 0.000 0.955 125 D HN 0.234 nan 8.370 nan 0.000 0.465 126 L N -0.098 121.005 121.223 -0.200 0.000 2.083 126 L HA -0.130 4.234 4.340 0.041 0.000 0.209 126 L C 2.432 179.127 176.870 -0.292 0.000 1.083 126 L CA 0.612 55.294 54.840 -0.264 0.000 0.752 126 L CB -0.334 41.496 42.059 -0.381 0.000 0.899 126 L HN 0.228 nan 8.230 nan 0.000 0.433 127 L N -0.724 120.297 121.223 -0.337 0.000 2.093 127 L HA -0.172 4.192 4.340 0.041 0.000 0.208 127 L C 2.277 179.053 176.870 -0.157 0.000 1.085 127 L CA 1.284 55.963 54.840 -0.269 0.000 0.755 127 L CB -0.387 41.519 42.059 -0.255 0.000 0.904 127 L HN 0.296 nan 8.230 nan 0.000 0.435 128 E N -1.061 119.063 120.200 -0.127 0.000 2.250 128 E HA -0.065 4.310 4.350 0.041 0.000 0.192 128 E C 0.177 176.732 176.600 -0.075 0.000 0.986 128 E CA 0.217 56.567 56.400 -0.084 0.000 0.849 128 E CB 0.347 30.008 29.700 -0.066 0.000 0.797 128 E HN 0.175 nan 8.360 nan 0.000 0.482 129 D N 0.098 120.446 120.400 -0.086 0.000 2.481 129 D HA 0.056 4.720 4.640 0.041 0.000 0.246 129 D C 0.054 176.305 176.300 -0.081 0.000 1.109 129 D CA -0.277 53.681 54.000 -0.070 0.000 0.845 129 D CB 1.459 42.223 40.800 -0.059 0.000 1.160 129 D HN -0.043 nan 8.370 nan 0.000 0.534 130 T N 0.141 114.656 114.554 -0.066 0.000 3.134 130 T HA 0.201 4.575 4.350 0.041 0.000 0.260 130 T C 1.045 175.716 174.700 -0.048 0.000 1.027 130 T CA -0.019 62.041 62.100 -0.066 0.000 0.913 130 T CB 0.267 69.101 68.868 -0.057 0.000 1.046 130 T HN 0.146 nan 8.240 nan 0.000 0.553 131 V N 0.241 120.131 119.914 -0.039 0.000 3.137 131 V HA 0.181 4.325 4.120 0.041 0.000 0.236 131 V C 1.000 177.086 176.094 -0.014 0.000 1.260 131 V CA 0.253 62.538 62.300 -0.024 0.000 1.244 131 V CB -0.012 31.800 31.823 -0.018 0.000 1.016 131 V HN 0.414 nan 8.190 nan 0.000 0.477 132 T N 4.350 118.894 114.554 -0.015 0.000 2.792 132 T HA 0.115 4.489 4.350 0.041 0.000 0.286 132 T C -2.400 172.300 174.700 -0.000 0.000 0.970 132 T CA -0.236 61.863 62.100 -0.002 0.000 1.187 132 T CB 0.413 69.278 68.868 -0.005 0.000 0.915 132 T HN 0.186 nan 8.240 nan 0.000 0.529 133 P HA 0.153 nan 4.420 nan 0.000 0.265 133 P C -0.141 177.157 177.300 -0.002 0.000 1.193 133 P CA -0.074 63.038 63.100 0.020 0.000 0.765 133 P CB 0.345 32.099 31.700 0.089 0.000 0.823 134 I N 2.467 123.019 120.570 -0.031 0.000 2.396 134 I HA 0.143 4.337 4.170 0.041 0.000 0.292 134 I C 0.922 177.020 176.117 -0.031 0.000 0.999 134 I CA -0.409 60.879 61.300 -0.021 0.000 1.310 134 I CB 0.760 38.741 38.000 -0.032 0.000 1.404 134 I HN 0.316 nan 8.210 nan 0.000 0.496 135 D N 4.222 124.617 120.400 -0.009 0.000 2.414 135 D HA 0.193 4.857 4.640 0.041 0.000 0.242 135 D C -0.334 175.924 176.300 -0.071 0.000 1.129 135 D CA 0.290 54.267 54.000 -0.037 0.000 0.885 135 D CB 0.789 41.578 40.800 -0.018 0.000 1.198 135 D HN 0.621 nan 8.370 nan 0.000 0.437 136 T N -0.610 113.874 114.554 -0.115 0.000 2.906 136 T HA 0.611 4.985 4.350 0.041 0.000 0.295 136 T C -0.372 174.179 174.700 -0.248 0.000 1.061 136 T CA -0.954 61.041 62.100 -0.176 0.000 1.000 136 T CB 1.592 70.388 68.868 -0.120 0.000 1.103 136 T HN 0.214 nan 8.240 nan 0.000 0.486 137 T N 2.230 116.498 114.554 -0.477 0.000 2.859 137 T HA 0.637 5.012 4.350 0.041 0.000 0.281 137 T C -0.535 173.965 174.700 -0.333 0.000 1.005 137 T CA -0.645 61.170 62.100 -0.475 0.000 1.025 137 T CB 0.892 69.296 68.868 -0.773 0.000 0.977 137 T HN 0.743 nan 8.240 nan 0.000 0.458 138 I N 3.690 124.200 120.570 -0.101 0.000 2.433 138 I HA 0.564 4.758 4.170 0.041 0.000 0.292 138 I C -1.154 175.016 176.117 0.089 0.000 1.001 138 I CA -0.836 60.489 61.300 0.041 0.000 1.119 138 I CB 0.862 38.916 38.000 0.089 0.000 1.289 138 I HN 0.426 nan 8.210 nan 0.000 0.438 139 M N 5.984 125.678 119.600 0.157 0.000 2.631 139 M HA 0.528 5.032 4.480 0.041 0.000 0.288 139 M C -0.745 175.623 176.300 0.113 0.000 1.260 139 M CA -0.629 54.758 55.300 0.144 0.000 0.842 139 M CB 1.847 34.576 32.600 0.214 0.000 1.743 139 M HN 0.583 nan 8.290 nan 0.000 0.461 140 A N 1.677 124.544 122.820 0.080 0.000 2.274 140 A HA 0.549 4.893 4.320 0.041 0.000 0.309 140 A C -0.217 177.406 177.584 0.065 0.000 1.226 140 A CA -0.541 51.533 52.037 0.062 0.000 0.853 140 A CB 0.346 19.370 19.000 0.040 0.000 1.146 140 A HN 0.745 nan 8.150 nan 0.000 0.518 141 K N 1.894 122.334 120.400 0.067 0.000 2.270 141 K HA 0.121 4.465 4.320 0.041 0.000 0.276 141 K C -0.539 176.076 176.600 0.024 0.000 1.023 141 K CA 0.114 56.429 56.287 0.047 0.000 0.955 141 K CB 0.647 33.181 32.500 0.057 0.000 0.975 141 K HN 0.763 nan 8.250 nan 0.000 0.471 142 N N 2.892 121.582 118.700 -0.016 0.000 2.589 142 N HA 0.082 4.847 4.740 0.041 0.000 0.232 142 N C -1.158 174.245 175.510 -0.178 0.000 1.015 142 N CA -0.264 52.744 53.050 -0.069 0.000 0.931 142 N CB 0.860 39.319 38.487 -0.046 0.000 1.150 142 N HN 0.400 nan 8.380 nan 0.000 0.512 143 E N 0.931 120.997 120.200 -0.222 0.000 2.277 143 E HA 0.436 4.811 4.350 0.041 0.000 0.266 143 E C -0.775 175.379 176.600 -0.743 0.000 0.901 143 E CA -0.953 55.183 56.400 -0.439 0.000 0.782 143 E CB 2.588 32.087 29.700 -0.335 0.000 1.228 143 E HN 0.072 nan 8.360 nan 0.000 0.424 144 V N 2.920 122.248 119.914 -0.978 0.000 2.472 144 V HA 0.479 4.624 4.120 0.041 0.000 0.290 144 V C -0.736 174.648 176.094 -1.183 0.000 1.037 144 V CA -0.258 61.446 62.300 -0.994 0.000 0.908 144 V CB 0.236 31.575 31.823 -0.807 0.000 0.985 144 V HN 0.514 nan 8.190 nan 0.000 0.454 145 F N 1.925 121.501 119.950 -0.623 0.000 2.726 145 F HA 0.644 5.198 4.527 0.044 0.000 0.324 145 F C -0.069 175.582 175.800 -0.248 0.000 1.140 145 F CA -0.804 56.937 58.000 -0.431 0.000 0.964 145 F CB 1.400 40.138 39.000 -0.438 0.000 1.399 145 F HN 0.536 nan 8.300 nan 0.000 0.491 146 C N 2.817 122.262 119.300 0.241 0.000 2.379 146 C HA 0.814 5.299 4.460 0.041 0.000 0.323 146 C C -0.055 175.150 174.990 0.357 0.000 1.262 146 C CA -0.690 58.489 59.018 0.267 0.000 1.581 146 C CB -0.060 27.771 27.740 0.151 0.000 2.221 146 C HN 0.759 nan 8.230 nan 0.000 0.497 147 V N 5.164 125.287 119.914 0.350 0.000 3.139 147 V HA 0.432 4.577 4.120 0.041 0.000 0.307 147 V C -0.261 175.896 176.094 0.104 0.000 1.095 147 V CA 0.397 62.811 62.300 0.190 0.000 1.160 147 V CB 0.883 32.746 31.823 0.067 0.000 1.003 147 V HN 1.048 nan 8.190 nan 0.000 0.489 148 Q N 1.917 121.746 119.800 0.047 0.000 3.660 148 Q HA 0.529 4.894 4.340 0.041 0.000 0.194 148 Q C -2.524 173.476 176.000 -0.001 0.000 0.872 148 Q CA -1.175 54.642 55.803 0.025 0.000 0.756 148 Q CB 0.403 29.156 28.738 0.025 0.000 1.443 148 Q HN 0.860 nan 8.270 nan 0.000 0.460 154 R N -0.326 120.086 120.500 -0.147 0.000 1.360 154 R HA -0.144 4.220 4.340 0.041 0.000 0.404 154 R C 0.076 176.329 176.300 -0.078 0.000 1.330 154 R CA 1.226 57.189 56.100 -0.230 0.000 1.252 154 R CB -0.520 29.517 30.300 -0.438 0.000 3.563 154 R HN 0.909 nan 8.270 nan 0.000 0.484 155 K N 3.923 124.333 120.400 0.017 0.000 2.143 155 K HA 0.545 4.889 4.320 0.041 0.000 0.272 155 K C -2.090 174.538 176.600 0.047 0.000 1.001 155 K CA -1.666 54.606 56.287 -0.026 0.000 0.915 155 K CB 1.477 33.874 32.500 -0.171 0.000 1.047 155 K HN 0.194 nan 8.250 nan 0.000 0.458 156 P HA 0.031 nan 4.420 nan 0.000 0.274 156 P C -0.527 176.814 177.300 0.068 0.000 1.237 156 P CA -0.401 62.725 63.100 0.043 0.000 0.793 156 P CB 0.860 32.567 31.700 0.011 0.000 0.977 157 A N 3.346 126.216 122.820 0.084 0.000 2.483 157 A HA 0.109 4.454 4.320 0.041 0.000 0.238 157 A C 0.682 178.314 177.584 0.079 0.000 1.070 157 A CA -0.070 52.027 52.037 0.099 0.000 0.770 157 A CB -0.231 18.817 19.000 0.079 0.000 1.008 157 A HN 0.496 nan 8.150 nan 0.000 0.497 158 R N -0.013 120.549 120.500 0.102 0.000 2.560 158 R HA 0.401 4.766 4.340 0.041 0.000 0.270 158 R C -1.142 175.213 176.300 0.092 0.000 1.074 158 R CA -0.677 55.483 56.100 0.101 0.000 1.140 158 R CB 0.363 30.739 30.300 0.126 0.000 1.073 158 R HN 0.471 nan 8.270 nan 0.000 0.527 159 L N 2.796 124.078 121.223 0.097 0.000 2.282 159 L HA 0.357 4.722 4.340 0.041 0.000 0.288 159 L C -0.137 176.821 176.870 0.146 0.000 1.033 159 L CA -0.225 54.675 54.840 0.100 0.000 0.807 159 L CB 1.134 43.232 42.059 0.065 0.000 1.209 159 L HN 0.443 nan 8.230 nan 0.000 0.423 160 I N 4.435 125.104 120.570 0.166 0.000 2.412 160 I HA 0.495 4.690 4.170 0.041 0.000 0.296 160 I C -0.839 175.450 176.117 0.286 0.000 0.987 160 I CA -0.574 60.855 61.300 0.216 0.000 1.180 160 I CB 2.047 40.162 38.000 0.192 0.000 1.340 160 I HN 0.178 nan 8.210 nan 0.000 0.455 161 V N 8.856 128.948 119.914 0.296 0.000 2.483 161 V HA 0.508 4.652 4.120 0.041 0.000 0.297 161 V C -0.679 175.609 176.094 0.324 0.000 1.027 161 V CA -0.516 61.928 62.300 0.241 0.000 0.855 161 V CB 1.459 33.388 31.823 0.177 0.000 0.995 161 V HN 0.581 nan 8.190 nan 0.000 0.424 162 F N 4.936 124.932 119.950 0.076 0.000 2.613 162 F HA 0.967 5.519 4.527 0.043 0.000 0.310 162 F C -3.098 172.741 175.800 0.064 0.000 1.085 162 F CA -2.759 55.288 58.000 0.077 0.000 0.945 162 F CB 1.677 40.718 39.000 0.069 0.000 1.298 162 F HN 0.299 nan 8.300 nan 0.000 0.455 163 P HA 0.219 nan 4.420 nan 0.000 0.284 163 P C -1.187 176.199 177.300 0.143 0.000 1.287 163 P CA -0.195 62.945 63.100 0.067 0.000 0.824 163 P CB 1.460 33.226 31.700 0.110 0.000 1.180 164 D N -0.745 119.723 120.400 0.113 0.000 2.400 164 D HA -0.044 4.621 4.640 0.041 0.000 0.238 164 D C 1.363 177.783 176.300 0.200 0.000 1.157 164 D CA -0.292 53.797 54.000 0.147 0.000 0.889 164 D CB 0.292 41.206 40.800 0.189 0.000 1.199 164 D HN 0.102 nan 8.370 nan 0.000 0.436 165 L N 3.355 124.676 121.223 0.163 0.000 2.051 165 L HA -0.038 4.326 4.340 0.041 0.000 0.214 165 L C 2.014 179.038 176.870 0.257 0.000 1.076 165 L CA 2.609 57.551 54.840 0.169 0.000 0.758 165 L CB -1.076 41.034 42.059 0.084 0.000 0.890 165 L HN 0.658 nan 8.230 nan 0.000 0.433 166 G N -1.258 107.765 108.800 0.371 0.000 2.418 166 G HA2 -0.206 3.778 3.960 0.041 0.000 0.217 166 G HA3 -0.206 3.778 3.960 0.041 0.000 0.217 166 G C 1.528 176.585 174.900 0.262 0.000 1.158 166 G CA 1.077 46.441 45.100 0.441 0.000 0.771 166 G HN 0.357 nan 8.290 nan 0.000 0.545 167 V N 0.782 120.836 119.914 0.235 0.000 2.343 167 V HA -0.165 3.980 4.120 0.041 0.000 0.247 167 V C 2.921 179.120 176.094 0.176 0.000 1.051 167 V CA 1.892 64.295 62.300 0.173 0.000 1.036 167 V CB -0.467 31.441 31.823 0.142 0.000 0.654 167 V HN 0.328 nan 8.190 nan 0.000 0.451 168 R N -0.327 120.283 120.500 0.183 0.000 2.096 168 R HA -0.120 4.245 4.340 0.041 0.000 0.235 168 R C 2.209 178.594 176.300 0.140 0.000 1.127 168 R CA 1.416 57.616 56.100 0.166 0.000 0.968 168 R CB -0.568 29.823 30.300 0.152 0.000 0.861 168 R HN 0.426 nan 8.270 nan 0.000 0.440 169 V N 0.205 120.201 119.914 0.136 0.000 2.453 169 V HA -0.254 3.891 4.120 0.041 0.000 0.247 169 V C 2.425 178.586 176.094 0.111 0.000 1.048 169 V CA 1.396 63.750 62.300 0.091 0.000 1.049 169 V CB -0.349 31.520 31.823 0.077 0.000 0.672 169 V HN 0.440 nan 8.190 nan 0.000 0.457 170 C N -0.092 119.319 119.300 0.185 0.000 2.440 170 C HA -0.115 4.370 4.460 0.041 0.000 0.278 170 C C 2.647 177.832 174.990 0.325 0.000 1.295 170 C CA 0.741 59.949 59.018 0.318 0.000 1.738 170 C CB -0.915 27.064 27.740 0.398 0.000 1.987 170 C HN 0.620 nan 8.230 nan 0.000 0.492 171 E N 0.915 121.257 120.200 0.236 0.000 2.085 171 E HA -0.233 4.142 4.350 0.041 0.000 0.194 171 E C 2.136 178.868 176.600 0.220 0.000 0.994 171 E CA 1.226 57.770 56.400 0.240 0.000 0.801 171 E CB -0.152 29.698 29.700 0.249 0.000 0.743 171 E HN 0.632 nan 8.360 nan 0.000 0.453 172 K N 0.316 120.817 120.400 0.168 0.000 2.057 172 K HA -0.115 4.229 4.320 0.041 0.000 0.207 172 K C 2.208 178.887 176.600 0.132 0.000 1.049 172 K CA 1.409 57.780 56.287 0.139 0.000 0.931 172 K CB -0.114 32.392 32.500 0.009 0.000 0.714 172 K HN 0.127 nan 8.250 nan 0.000 0.440 173 M N 0.137 119.788 119.600 0.085 0.000 2.117 173 M HA -0.155 4.350 4.480 0.041 0.000 0.262 173 M C 2.410 178.793 176.300 0.139 0.000 1.065 173 M CA 1.683 56.987 55.300 0.007 0.000 1.114 173 M CB -0.297 32.154 32.600 -0.248 0.000 1.361 173 M HN 0.223 nan 8.290 nan 0.000 0.408 174 A N -0.442 122.567 122.820 0.314 0.000 1.975 174 A HA 0.074 4.418 4.320 0.041 0.000 0.215 174 A C 1.802 179.486 177.584 0.166 0.000 1.170 174 A CA 1.036 53.272 52.037 0.332 0.000 0.656 174 A CB -0.161 19.057 19.000 0.365 0.000 0.821 174 A HN 0.487 nan 8.150 nan 0.000 0.449 175 L N -2.844 118.463 121.223 0.142 0.000 2.966 175 L HA 0.206 4.570 4.340 0.041 0.000 0.262 175 L C 1.774 178.679 176.870 0.058 0.000 1.165 175 L CA -0.033 54.829 54.840 0.037 0.000 0.978 175 L CB 0.061 42.106 42.059 -0.023 0.000 1.337 175 L HN 0.426 nan 8.230 nan 0.000 0.563 176 Y N 1.543 121.861 120.300 0.030 0.000 2.128 176 Y HA -0.331 4.243 4.550 0.041 0.000 0.284 176 Y C 2.202 178.135 175.900 0.056 0.000 1.154 176 Y CA 2.274 60.404 58.100 0.050 0.000 1.149 176 Y CB 0.066 38.541 38.460 0.025 0.000 0.976 176 Y HN 0.234 nan 8.280 nan 0.000 0.505 177 D N -0.889 119.545 120.400 0.057 0.000 2.178 177 D HA -0.153 4.511 4.640 0.041 0.000 0.201 177 D C 2.126 178.370 176.300 -0.093 0.000 0.980 177 D CA 1.287 55.271 54.000 -0.026 0.000 0.842 177 D CB -0.103 40.731 40.800 0.057 0.000 0.948 177 D HN 0.265 nan 8.370 nan 0.000 0.472 178 V N 0.250 120.107 119.914 -0.094 0.000 2.283 178 V HA -0.186 3.959 4.120 0.041 0.000 0.243 178 V C 2.625 178.616 176.094 -0.172 0.000 1.039 178 V CA 1.641 63.863 62.300 -0.130 0.000 1.016 178 V CB -0.531 31.174 31.823 -0.197 0.000 0.650 178 V HN 0.327 nan 8.190 nan 0.000 0.449 179 V N -2.434 117.358 119.914 -0.204 0.000 3.078 179 V HA -0.069 4.075 4.120 0.041 0.000 0.265 179 V C 1.925 177.886 176.094 -0.223 0.000 1.122 179 V CA 1.997 64.182 62.300 -0.192 0.000 1.141 179 V CB -0.389 31.348 31.823 -0.144 0.000 0.735 179 V HN 0.445 nan 8.190 nan 0.000 0.498 180 S N 0.737 116.293 115.700 -0.240 0.000 2.503 180 S HA 0.020 4.514 4.470 0.041 0.000 0.217 180 S C 1.808 176.323 174.600 -0.142 0.000 0.999 180 S CA 1.174 59.246 58.200 -0.213 0.000 0.914 180 S CB 0.183 63.193 63.200 -0.316 0.000 0.782 180 S HN 0.952 nan 8.310 nan 0.000 0.520 181 T N -1.428 113.039 114.554 -0.145 0.000 2.980 181 T HA 0.291 4.666 4.350 0.041 0.000 0.252 181 T C 1.556 176.166 174.700 -0.151 0.000 0.962 181 T CA -0.212 61.818 62.100 -0.118 0.000 0.932 181 T CB -0.503 68.322 68.868 -0.073 0.000 1.188 181 T HN 0.208 nan 8.240 nan 0.000 0.500 182 L N 1.851 122.982 121.223 -0.153 0.000 2.056 182 L HA 0.178 4.542 4.340 0.041 0.000 0.207 182 L C -0.922 175.794 176.870 -0.257 0.000 1.078 182 L CA 1.235 55.989 54.840 -0.144 0.000 0.749 182 L CB -0.741 41.289 42.059 -0.048 0.000 0.901 182 L HN 0.137 nan 8.230 nan 0.000 0.433 183 P HA -0.233 nan 4.420 nan 0.000 0.215 183 P C 1.374 178.230 177.300 -0.740 0.000 1.157 183 P CA 1.317 63.980 63.100 -0.728 0.000 0.874 183 P CB -0.137 30.780 31.700 -1.305 0.000 0.790 184 Q N -0.125 119.297 119.800 -0.631 0.000 2.124 184 Q HA -0.113 4.252 4.340 0.041 0.000 0.202 184 Q C 2.001 177.873 176.000 -0.212 0.000 0.977 184 Q CA 1.502 57.125 55.803 -0.301 0.000 0.850 184 Q CB -0.735 27.926 28.738 -0.128 0.000 0.901 184 Q HN 0.090 nan 8.270 nan 0.000 0.429 185 V N -0.067 119.730 119.914 -0.196 0.000 2.358 185 V HA -0.199 3.946 4.120 0.041 0.000 0.246 185 V C 2.504 178.510 176.094 -0.147 0.000 1.047 185 V CA 1.353 63.572 62.300 -0.135 0.000 1.035 185 V CB -0.463 31.298 31.823 -0.103 0.000 0.658 185 V HN 0.117 nan 8.190 nan 0.000 0.452 186 V N -0.570 119.225 119.914 -0.200 0.000 2.358 186 V HA -0.199 3.945 4.120 0.041 0.000 0.246 186 V C 2.058 177.978 176.094 -0.291 0.000 1.047 186 V CA 2.108 64.282 62.300 -0.210 0.000 1.035 186 V CB -0.453 31.231 31.823 -0.231 0.000 0.658 186 V HN 0.479 nan 8.190 nan 0.000 0.452 187 M N -1.089 118.272 119.600 -0.399 0.000 2.371 187 M HA 0.353 4.858 4.480 0.041 0.000 0.246 187 M C 1.453 177.638 176.300 -0.191 0.000 1.103 187 M CA 0.703 55.701 55.300 -0.503 0.000 1.010 187 M CB 0.352 32.528 32.600 -0.706 0.000 1.457 187 M HN 0.455 nan 8.290 nan 0.000 0.486 188 G N 1.687 110.407 108.800 -0.133 0.000 2.634 188 G HA2 -0.399 3.586 3.960 0.041 0.000 0.309 188 G HA3 -0.399 3.586 3.960 0.041 0.000 0.309 188 G C 0.846 175.706 174.900 -0.067 0.000 1.265 188 G CA 0.873 45.935 45.100 -0.064 0.000 0.998 188 G HN 0.537 nan 8.290 nan 0.000 0.551 189 S N -0.615 115.066 115.700 -0.031 0.000 2.507 189 S HA 0.074 4.568 4.470 0.041 0.000 0.235 189 S C 2.193 176.698 174.600 -0.159 0.000 0.988 189 S CA 1.912 60.037 58.200 -0.125 0.000 0.944 189 S CB -0.093 63.094 63.200 -0.022 0.000 0.762 189 S HN 1.003 nan 8.310 nan 0.000 0.526 190 S N 0.230 115.944 115.700 0.024 0.000 2.489 190 S HA 0.103 4.598 4.470 0.041 0.000 0.228 190 S C 0.264 174.900 174.600 0.060 0.000 0.995 190 S CA -0.052 58.219 58.200 0.117 0.000 0.934 190 S CB -0.422 62.946 63.200 0.280 0.000 0.771 190 S HN 0.699 nan 8.310 nan 0.000 0.522 191 Y N 3.238 123.423 120.300 -0.192 0.000 2.584 191 Y HA 0.437 5.012 4.550 0.041 0.000 0.351 191 Y C 1.275 176.990 175.900 -0.308 0.000 1.030 191 Y CA -1.512 56.444 58.100 -0.241 0.000 1.332 191 Y CB -0.103 38.204 38.460 -0.254 0.000 1.148 191 Y HN 0.065 nan 8.280 nan 0.000 0.528 192 G N 4.440 112.895 108.800 -0.574 0.000 2.443 192 G HA2 -0.262 3.723 3.960 0.041 0.000 0.219 192 G HA3 -0.262 3.723 3.960 0.041 0.000 0.219 192 G C 1.038 175.429 174.900 -0.847 0.000 1.131 192 G CA 0.256 45.004 45.100 -0.587 0.000 0.775 192 G HN 0.639 nan 8.290 nan 0.000 0.547 193 F N 1.165 120.435 119.950 -1.133 0.000 2.802 193 F HA 0.062 4.613 4.527 0.041 0.000 0.300 193 F C 2.756 178.272 175.800 -0.473 0.000 1.168 193 F CA 0.798 58.223 58.000 -0.959 0.000 1.433 193 F CB -0.032 38.340 39.000 -1.046 0.000 1.115 193 F HN 0.373 nan 8.300 nan 0.000 0.582 194 Q N -0.850 118.660 119.800 -0.483 0.000 2.451 194 Q HA -0.032 4.332 4.340 0.041 0.000 0.206 194 Q C -0.702 175.128 176.000 -0.284 0.000 0.947 194 Q CA 0.608 56.226 55.803 -0.309 0.000 0.937 194 Q CB -0.235 28.222 28.738 -0.467 0.000 1.025 194 Q HN 0.293 nan 8.270 nan 0.000 0.511 195 Y N 1.555 121.849 120.300 -0.010 0.000 2.360 195 Y HA 0.350 4.924 4.550 0.040 0.000 0.337 195 Y C 0.512 176.343 175.900 -0.115 0.000 1.039 195 Y CA -1.302 56.763 58.100 -0.058 0.000 1.109 195 Y CB 1.611 39.989 38.460 -0.136 0.000 1.201 195 Y HN 0.092 nan 8.280 nan 0.000 0.458 196 S N 2.240 117.789 115.700 -0.251 0.000 2.645 196 S HA 0.307 4.802 4.470 0.041 0.000 0.266 196 S C -2.049 172.250 174.600 -0.501 0.000 1.258 196 S CA -1.095 56.455 58.200 -1.082 0.000 0.990 196 S CB 1.419 64.023 63.200 -0.995 0.000 0.967 196 S HN 0.415 nan 8.310 nan 0.000 0.556 197 P HA 0.000 nan 4.420 nan 0.000 0.216 197 P C 1.679 178.912 177.300 -0.113 0.000 1.153 197 P CA 1.745 64.723 63.100 -0.203 0.000 0.858 197 P CB -0.490 31.125 31.700 -0.142 0.000 0.789 198 G N -0.498 108.220 108.800 -0.136 0.000 2.408 198 G HA2 -0.250 3.734 3.960 0.041 0.000 0.217 198 G HA3 -0.250 3.734 3.960 0.041 0.000 0.217 198 G C 1.479 176.332 174.900 -0.078 0.000 1.150 198 G CA 0.492 45.559 45.100 -0.054 0.000 0.776 198 G HN 0.319 nan 8.290 nan 0.000 0.542 199 Q N -0.557 119.178 119.800 -0.108 0.000 2.230 199 Q HA 0.060 4.424 4.340 0.041 0.000 0.202 199 Q C 2.537 178.407 176.000 -0.218 0.000 0.963 199 Q CA 0.626 56.382 55.803 -0.078 0.000 0.866 199 Q CB -0.061 28.708 28.738 0.052 0.000 0.931 199 Q HN 0.455 nan 8.270 nan 0.000 0.452 200 R N 0.417 120.799 120.500 -0.196 0.000 2.075 200 R HA -0.108 4.256 4.340 0.041 0.000 0.232 200 R C 2.039 178.231 176.300 -0.179 0.000 1.126 200 R CA 1.056 56.996 56.100 -0.267 0.000 0.963 200 R CB -0.072 30.167 30.300 -0.101 0.000 0.858 200 R HN 0.085 nan 8.270 nan 0.000 0.435 201 V N 1.555 121.399 119.914 -0.118 0.000 2.295 201 V HA -0.249 3.895 4.120 0.041 0.000 0.246 201 V C 2.388 178.397 176.094 -0.142 0.000 1.049 201 V CA 2.273 64.508 62.300 -0.108 0.000 1.024 201 V CB -0.604 31.195 31.823 -0.040 0.000 0.648 201 V HN 0.507 nan 8.190 nan 0.000 0.447 202 E N -0.382 119.753 120.200 -0.109 0.000 2.085 202 E HA -0.290 4.084 4.350 0.041 0.000 0.194 202 E C 2.136 178.669 176.600 -0.110 0.000 0.994 202 E CA 1.809 58.149 56.400 -0.100 0.000 0.801 202 E CB -0.241 29.429 29.700 -0.049 0.000 0.743 202 E HN 0.538 nan 8.360 nan 0.000 0.453 203 F N 1.255 121.022 119.950 -0.304 0.000 2.102 203 F HA -0.142 4.409 4.527 0.041 0.000 0.298 203 F C 1.945 177.611 175.800 -0.224 0.000 1.105 203 F CA 1.348 59.158 58.000 -0.317 0.000 1.239 203 F CB -0.283 38.349 39.000 -0.614 0.000 0.991 203 F HN 0.010 nan 8.300 nan 0.000 0.474 204 L N -0.807 120.255 121.223 -0.268 0.000 2.017 204 L HA -0.226 4.138 4.340 0.041 0.000 0.208 204 L C 2.399 179.109 176.870 -0.267 0.000 1.073 204 L CA 1.187 55.852 54.840 -0.291 0.000 0.745 204 L CB -0.911 41.032 42.059 -0.193 0.000 0.894 204 L HN -0.008 nan 8.230 nan 0.000 0.432 205 V N 0.090 119.829 119.914 -0.292 0.000 2.343 205 V HA -0.264 3.880 4.120 0.041 0.000 0.247 205 V C 2.188 178.159 176.094 -0.205 0.000 1.051 205 V CA 1.826 63.926 62.300 -0.334 0.000 1.036 205 V CB -0.660 30.812 31.823 -0.584 0.000 0.654 205 V HN 0.490 nan 8.190 nan 0.000 0.451 206 N N -0.149 118.424 118.700 -0.212 0.000 2.270 206 N HA -0.108 4.656 4.740 0.041 0.000 0.181 206 N C 1.903 177.303 175.510 -0.183 0.000 1.016 206 N CA 1.709 54.664 53.050 -0.158 0.000 0.870 206 N CB -0.440 37.974 38.487 -0.122 0.000 0.979 206 N HN 0.443 nan 8.380 nan 0.000 0.431 207 T N 0.540 114.907 114.554 -0.312 0.000 2.777 207 T HA -0.130 4.244 4.350 0.041 0.000 0.266 207 T C 1.475 176.082 174.700 -0.155 0.000 1.040 207 T CA 0.591 62.492 62.100 -0.333 0.000 1.141 207 T CB -0.126 68.392 68.868 -0.584 0.000 0.868 207 T HN 0.427 nan 8.240 nan 0.000 0.444 208 W N 2.251 123.387 121.300 -0.274 0.000 2.355 208 W HA -0.063 4.622 4.660 0.041 0.000 0.309 208 W C 1.790 178.221 176.519 -0.147 0.000 1.206 208 W CA 1.095 58.324 57.345 -0.195 0.000 1.284 208 W CB -0.176 29.165 29.460 -0.198 0.000 1.145 208 W HN 0.242 nan 8.180 nan 0.000 0.502 209 K N 0.303 120.726 120.400 0.039 0.000 2.283 209 K HA -0.132 4.213 4.320 0.041 0.000 0.202 209 K C 2.108 178.655 176.600 -0.088 0.000 1.048 209 K CA 1.632 57.908 56.287 -0.019 0.000 0.948 209 K CB -0.262 32.234 32.500 -0.007 0.000 0.742 209 K HN 0.066 nan 8.250 nan 0.000 0.458 210 S N 0.390 116.021 115.700 -0.114 0.000 2.522 210 S HA 0.024 4.519 4.470 0.041 0.000 0.227 210 S C 0.576 175.096 174.600 -0.133 0.000 0.986 210 S CA 0.177 58.312 58.200 -0.109 0.000 0.929 210 S CB 0.084 63.222 63.200 -0.103 0.000 0.769 210 S HN -0.043 nan 8.310 nan 0.000 0.529 211 K N 1.945 122.225 120.400 -0.200 0.000 2.185 211 K HA 0.343 4.688 4.320 0.041 0.000 0.271 211 K C 0.670 177.157 176.600 -0.189 0.000 1.013 211 K CA -0.290 55.867 56.287 -0.216 0.000 0.943 211 K CB 0.858 33.161 32.500 -0.328 0.000 0.998 211 K HN 0.183 nan 8.250 nan 0.000 0.468 212 K N 0.812 121.127 120.400 -0.140 0.000 2.097 212 K HA -0.137 4.208 4.320 0.041 0.000 0.205 212 K C 0.461 176.987 176.600 -0.124 0.000 1.050 212 K CA 1.183 57.405 56.287 -0.108 0.000 0.938 212 K CB 0.054 32.508 32.500 -0.077 0.000 0.718 212 K HN 0.416 nan 8.250 nan 0.000 0.442 213 N N 0.205 118.813 118.700 -0.152 0.000 2.685 213 N HA 0.130 4.895 4.740 0.041 0.000 0.252 213 N C -2.996 172.387 175.510 -0.212 0.000 1.261 213 N CA -1.939 51.023 53.050 -0.147 0.000 0.768 213 N CB 1.118 39.552 38.487 -0.088 0.000 1.304 213 N HN -0.176 nan 8.380 nan 0.000 0.536 214 P HA 0.148 nan 4.420 nan 0.000 0.271 214 P C -0.682 176.327 177.300 -0.486 0.000 1.218 214 P CA -0.275 62.386 63.100 -0.732 0.000 0.780 214 P CB 1.020 31.698 31.700 -1.704 0.000 0.901 215 M N 1.958 121.320 119.600 -0.397 0.000 2.421 215 M HA 0.649 5.153 4.480 0.041 0.000 0.287 215 M C -1.373 174.897 176.300 -0.049 0.000 1.183 215 M CA -0.296 54.911 55.300 -0.155 0.000 0.916 215 M CB 2.451 35.039 32.600 -0.020 0.000 1.701 215 M HN 0.617 nan 8.290 nan 0.000 0.470 216 G N 3.386 112.259 108.800 0.122 0.000 2.704 216 G HA2 0.826 4.811 3.960 0.041 0.000 0.293 216 G HA3 0.826 4.811 3.960 0.041 0.000 0.293 216 G C -2.049 172.961 174.900 0.183 0.000 1.421 216 G CA -0.621 44.588 45.100 0.182 0.000 0.870 216 G HN 0.867 nan 8.290 nan 0.000 0.492 217 F N -0.674 119.239 119.950 -0.062 0.000 2.713 217 F HA 0.833 5.385 4.527 0.041 0.000 0.311 217 F C -0.341 175.435 175.800 -0.039 0.000 1.141 217 F CA -1.347 56.609 58.000 -0.073 0.000 0.939 217 F CB 1.462 40.398 39.000 -0.107 0.000 1.325 217 F HN 0.709 nan 8.300 nan 0.000 0.453 218 S N 0.788 116.576 115.700 0.148 0.000 2.537 218 S HA 0.698 5.193 4.470 0.041 0.000 0.301 218 S C -1.781 172.997 174.600 0.298 0.000 1.092 218 S CA -0.603 57.650 58.200 0.087 0.000 1.048 218 S CB 1.784 65.014 63.200 0.049 0.000 1.053 218 S HN 0.919 nan 8.310 nan 0.000 0.501 219 Y N 1.520 121.911 120.300 0.152 0.000 2.326 219 Y HA 0.469 5.044 4.550 0.041 0.000 0.331 219 Y C -1.097 174.917 175.900 0.189 0.000 0.962 219 Y CA -0.802 57.450 58.100 0.254 0.000 1.167 219 Y CB 1.463 40.167 38.460 0.406 0.000 1.148 219 Y HN 0.892 nan 8.280 nan 0.000 0.463 220 D N 4.383 124.625 120.400 -0.264 0.000 2.412 220 D HA 0.237 4.901 4.640 0.041 0.000 0.224 220 D C -0.753 175.401 176.300 -0.242 0.000 1.093 220 D CA -0.096 53.814 54.000 -0.151 0.000 0.850 220 D CB 0.962 41.710 40.800 -0.087 0.000 1.046 220 D HN 0.451 nan 8.370 nan 0.000 0.507 221 T N 3.840 118.411 114.554 0.028 0.000 2.884 221 T HA 0.117 4.492 4.350 0.041 0.000 0.298 221 T C 0.354 175.140 174.700 0.143 0.000 0.998 221 T CA -0.532 61.668 62.100 0.166 0.000 1.124 221 T CB 0.783 69.975 68.868 0.540 0.000 0.931 221 T HN 0.280 nan 8.240 nan 0.000 0.531 222 R N 2.568 123.114 120.500 0.078 0.000 2.351 222 R HA 0.036 4.401 4.340 0.041 0.000 0.318 222 R C 0.283 176.674 176.300 0.152 0.000 1.055 222 R CA -0.094 56.043 56.100 0.062 0.000 0.968 222 R CB -0.884 29.397 30.300 -0.031 0.000 0.974 222 R HN 0.963 nan 8.270 nan 0.000 0.439 223 C N 6.754 126.172 119.300 0.197 0.000 3.349 223 C HA -0.205 4.279 4.460 0.041 0.000 0.275 223 C C 1.479 176.675 174.990 0.343 0.000 1.322 223 C CA 0.272 59.458 59.018 0.281 0.000 2.261 223 C CB -2.541 25.403 27.740 0.341 0.000 1.446 223 C HN 1.026 nan 8.230 nan 0.000 0.533 224 F N 1.767 121.831 119.950 0.189 0.000 2.063 224 F HA -0.204 4.348 4.527 0.041 0.000 0.297 224 F C 1.813 177.726 175.800 0.189 0.000 1.099 224 F CA 2.698 60.813 58.000 0.191 0.000 1.220 224 F CB -0.170 38.932 39.000 0.170 0.000 0.972 224 F HN 0.570 nan 8.300 nan 0.000 0.487 225 D N -0.469 120.180 120.400 0.415 0.000 2.133 225 D HA -0.182 4.483 4.640 0.041 0.000 0.195 225 D C 2.453 178.825 176.300 0.120 0.000 0.997 225 D CA 1.778 55.945 54.000 0.279 0.000 0.840 225 D CB -0.503 40.464 40.800 0.278 0.000 0.947 225 D HN 0.261 nan 8.370 nan 0.000 0.452 226 S N -0.844 114.948 115.700 0.153 0.000 2.453 226 S HA -0.092 4.402 4.470 0.041 0.000 0.231 226 S C 1.969 176.559 174.600 -0.017 0.000 1.005 226 S CA 1.304 59.506 58.200 0.003 0.000 0.949 226 S CB -0.188 63.022 63.200 0.016 0.000 0.774 226 S HN 0.528 nan 8.310 nan 0.000 0.510 227 T N -0.404 114.210 114.554 0.100 0.000 3.088 227 T HA 0.131 4.505 4.350 0.041 0.000 0.259 227 T C 0.579 175.209 174.700 -0.117 0.000 1.122 227 T CA 0.020 62.157 62.100 0.062 0.000 1.095 227 T CB -0.395 68.465 68.868 -0.014 0.000 0.930 227 T HN 0.030 nan 8.240 nan 0.000 0.508 228 V N 4.018 123.825 119.914 -0.179 0.000 2.470 228 V HA 0.330 4.475 4.120 0.041 0.000 0.276 228 V C 1.126 177.168 176.094 -0.087 0.000 1.040 228 V CA -0.372 61.840 62.300 -0.147 0.000 1.008 228 V CB 0.181 31.959 31.823 -0.075 0.000 0.990 228 V HN 0.699 nan 8.190 nan 0.000 0.477 229 T N 1.060 115.578 114.554 -0.060 0.000 2.881 229 T HA 0.354 4.728 4.350 0.041 0.000 0.278 229 T C 0.933 175.616 174.700 -0.028 0.000 0.982 229 T CA -0.635 61.435 62.100 -0.050 0.000 0.989 229 T CB 1.348 70.194 68.868 -0.037 0.000 1.058 229 T HN 0.641 nan 8.240 nan 0.000 0.529 230 E N 0.336 120.520 120.200 -0.026 0.000 2.110 230 E HA -0.165 4.209 4.350 0.041 0.000 0.193 230 E C 1.961 178.567 176.600 0.010 0.000 0.988 230 E CA 1.104 57.503 56.400 -0.002 0.000 0.804 230 E CB -0.228 29.470 29.700 -0.003 0.000 0.745 230 E HN 0.711 nan 8.360 nan 0.000 0.458 231 N N 0.880 119.580 118.700 0.000 0.000 2.120 231 N HA -0.162 4.602 4.740 0.041 0.000 0.188 231 N C 1.357 176.882 175.510 0.025 0.000 1.024 231 N CA 1.437 54.492 53.050 0.008 0.000 0.852 231 N CB 0.077 38.559 38.487 -0.009 0.000 1.003 231 N HN 0.033 nan 8.380 nan 0.000 0.424 232 D N 0.171 120.585 120.400 0.024 0.000 2.104 232 D HA -0.130 4.535 4.640 0.041 0.000 0.194 232 D C 1.912 178.236 176.300 0.039 0.000 0.994 232 D CA 0.944 54.972 54.000 0.048 0.000 0.830 232 D CB -0.280 40.542 40.800 0.037 0.000 0.959 232 D HN 0.410 nan 8.370 nan 0.000 0.452 233 I N 0.493 121.087 120.570 0.040 0.000 2.361 233 I HA -0.209 3.985 4.170 0.041 0.000 0.251 233 I C 2.464 178.614 176.117 0.054 0.000 1.133 233 I CA 0.895 62.230 61.300 0.058 0.000 1.413 233 I CB -0.061 37.992 38.000 0.088 0.000 1.073 233 I HN -0.094 nan 8.210 nan 0.000 0.424 234 R N -0.079 120.447 120.500 0.042 0.000 2.090 234 R HA -0.062 4.303 4.340 0.041 0.000 0.228 234 R C 2.321 178.624 176.300 0.004 0.000 1.110 234 R CA 0.899 57.020 56.100 0.035 0.000 0.973 234 R CB -0.254 30.064 30.300 0.030 0.000 0.869 234 R HN 0.182 nan 8.270 nan 0.000 0.440 235 V N 1.479 121.395 119.914 0.003 0.000 2.407 235 V HA -0.235 3.910 4.120 0.041 0.000 0.248 235 V C 1.886 177.914 176.094 -0.109 0.000 1.055 235 V CA 1.800 64.089 62.300 -0.019 0.000 1.049 235 V CB -0.375 31.471 31.823 0.039 0.000 0.662 235 V HN 0.358 nan 8.190 nan 0.000 0.455 236 E N -0.313 119.802 120.200 -0.142 0.000 2.058 236 E HA -0.262 4.113 4.350 0.041 0.000 0.194 236 E C 2.348 178.601 176.600 -0.578 0.000 0.997 236 E CA 1.291 57.475 56.400 -0.361 0.000 0.801 236 E CB -0.221 29.316 29.700 -0.271 0.000 0.746 236 E HN 0.525 nan 8.360 nan 0.000 0.450 237 E N 0.933 120.998 120.200 -0.225 0.000 2.085 237 E HA -0.198 4.177 4.350 0.041 0.000 0.194 237 E C 2.165 178.738 176.600 -0.044 0.000 0.994 237 E CA 1.592 57.978 56.400 -0.024 0.000 0.801 237 E CB -0.031 29.738 29.700 0.115 0.000 0.743 237 E HN 0.240 nan 8.360 nan 0.000 0.453 238 S N 0.218 115.876 115.700 -0.070 0.000 2.399 238 S HA -0.112 4.383 4.470 0.041 0.000 0.231 238 S C 2.222 176.781 174.600 -0.069 0.000 1.022 238 S CA 1.040 59.215 58.200 -0.042 0.000 0.983 238 S CB -0.563 62.616 63.200 -0.034 0.000 0.803 238 S HN 0.295 nan 8.310 nan 0.000 0.480 239 I N -0.011 120.459 120.570 -0.167 0.000 2.252 239 I HA -0.116 4.079 4.170 0.041 0.000 0.245 239 I C 2.277 178.349 176.117 -0.076 0.000 1.102 239 I CA 1.260 62.460 61.300 -0.165 0.000 1.385 239 I CB -0.500 37.342 38.000 -0.263 0.000 1.064 239 I HN 0.225 nan 8.210 nan 0.000 0.414 240 Y N 1.042 121.338 120.300 -0.007 0.000 2.181 240 Y HA -0.203 4.372 4.550 0.041 0.000 0.288 240 Y C 2.652 178.555 175.900 0.004 0.000 1.146 240 Y CA 0.665 58.763 58.100 -0.003 0.000 1.164 240 Y CB -0.953 37.518 38.460 0.018 0.000 0.982 240 Y HN 0.206 nan 8.280 nan 0.000 0.515 241 Q N -1.103 118.790 119.800 0.154 0.000 2.439 241 Q HA -0.139 4.225 4.340 0.041 0.000 0.211 241 Q C 2.283 178.317 176.000 0.056 0.000 0.978 241 Q CA 0.894 56.752 55.803 0.092 0.000 0.897 241 Q CB -0.819 27.957 28.738 0.064 0.000 0.956 241 Q HN 0.519 nan 8.270 nan 0.000 0.483 242 C N -0.040 119.286 119.300 0.044 0.000 2.446 242 C HA -0.021 4.463 4.460 0.041 0.000 0.279 242 C C 1.611 176.618 174.990 0.027 0.000 1.366 242 C CA -0.709 58.323 59.018 0.023 0.000 1.763 242 C CB -0.614 27.128 27.740 0.003 0.000 1.929 242 C HN 0.415 nan 8.230 nan 0.000 0.509 243 C N 1.763 121.090 119.300 0.045 0.000 2.745 243 C HA 0.108 4.592 4.460 0.041 0.000 0.387 243 C C 0.599 175.608 174.990 0.032 0.000 1.312 243 C CA -0.193 58.847 59.018 0.036 0.000 2.204 243 C CB -0.231 27.538 27.740 0.048 0.000 2.686 243 C HN 0.501 nan 8.230 nan 0.000 0.705 244 D N 1.630 122.044 120.400 0.023 0.000 2.352 244 D HA 0.424 5.089 4.640 0.041 0.000 0.245 244 D C -0.625 175.692 176.300 0.029 0.000 1.224 244 D CA 0.310 54.323 54.000 0.022 0.000 0.879 244 D CB -0.048 40.762 40.800 0.016 0.000 1.057 244 D HN 0.386 nan 8.370 nan 0.000 0.491 245 L N 1.939 123.183 121.223 0.035 0.000 2.323 245 L HA 0.666 5.030 4.340 0.041 0.000 0.265 245 L C 0.507 177.404 176.870 0.045 0.000 1.012 245 L CA -1.445 53.421 54.840 0.043 0.000 0.820 245 L CB 1.776 43.867 42.059 0.053 0.000 1.334 245 L HN 0.287 nan 8.230 nan 0.000 0.427 246 A N 1.775 124.629 122.820 0.056 0.000 2.445 246 A HA 0.372 4.717 4.320 0.041 0.000 0.242 246 A C -1.821 175.802 177.584 0.064 0.000 1.075 246 A CA -0.910 51.162 52.037 0.060 0.000 0.777 246 A CB -0.039 19.005 19.000 0.074 0.000 1.013 246 A HN 0.625 nan 8.150 nan 0.000 0.493 247 P HA -0.206 nan 4.420 nan 0.000 0.215 247 P C 1.033 178.362 177.300 0.049 0.000 1.163 247 P CA 1.808 64.933 63.100 0.042 0.000 0.894 247 P CB 0.120 31.840 31.700 0.034 0.000 0.791 248 E N -0.851 119.404 120.200 0.091 0.000 2.204 248 E HA -0.114 4.260 4.350 0.041 0.000 0.194 248 E C 2.013 178.684 176.600 0.120 0.000 0.989 248 E CA 0.968 57.437 56.400 0.116 0.000 0.824 248 E CB -0.429 29.450 29.700 0.297 0.000 0.756 248 E HN 0.195 nan 8.360 nan 0.000 0.477 249 A N 1.744 124.665 122.820 0.167 0.000 1.873 249 A HA -0.173 4.172 4.320 0.041 0.000 0.215 249 A C 2.096 179.719 177.584 0.065 0.000 1.186 249 A CA 1.064 53.200 52.037 0.165 0.000 0.616 249 A CB -0.313 18.774 19.000 0.144 0.000 0.823 249 A HN 0.072 nan 8.150 nan 0.000 0.442 250 R N -1.074 119.454 120.500 0.046 0.000 2.083 250 R HA -0.194 4.170 4.340 0.041 0.000 0.237 250 R C 2.516 178.808 176.300 -0.013 0.000 1.137 250 R CA 1.786 57.903 56.100 0.027 0.000 0.951 250 R CB -0.315 30.001 30.300 0.026 0.000 0.851 250 R HN 0.641 nan 8.270 nan 0.000 0.434 251 Q N 0.584 120.353 119.800 -0.052 0.000 2.079 251 Q HA -0.076 4.288 4.340 0.041 0.000 0.200 251 Q C 1.952 177.844 176.000 -0.180 0.000 0.974 251 Q CA 1.905 57.643 55.803 -0.107 0.000 0.840 251 Q CB -0.190 28.470 28.738 -0.130 0.000 0.898 251 Q HN 0.346 nan 8.270 nan 0.000 0.430 252 A N 0.191 122.847 122.820 -0.274 0.000 1.902 252 A HA -0.153 4.192 4.320 0.041 0.000 0.217 252 A C 2.120 179.601 177.584 -0.172 0.000 1.181 252 A CA 1.511 53.314 52.037 -0.391 0.000 0.623 252 A CB -0.760 17.841 19.000 -0.665 0.000 0.818 252 A HN 0.486 nan 8.150 nan 0.000 0.443 253 I N -0.709 119.827 120.570 -0.057 0.000 2.226 253 I HA -0.254 3.940 4.170 0.041 0.000 0.245 253 I C 2.542 178.684 176.117 0.041 0.000 1.100 253 I CA 1.858 63.182 61.300 0.040 0.000 1.374 253 I CB -0.178 37.876 38.000 0.089 0.000 1.057 253 I HN 0.279 nan 8.210 nan 0.000 0.413 254 K N 0.837 121.241 120.400 0.006 0.000 2.026 254 K HA -0.172 4.172 4.320 0.041 0.000 0.208 254 K C 2.274 178.851 176.600 -0.039 0.000 1.048 254 K CA 1.995 58.285 56.287 0.004 0.000 0.929 254 K CB -0.543 31.950 32.500 -0.012 0.000 0.713 254 K HN 0.093 nan 8.250 nan 0.000 0.439 255 S N -0.211 115.433 115.700 -0.092 0.000 2.356 255 S HA -0.042 4.452 4.470 0.041 0.000 0.223 255 S C 1.866 176.370 174.600 -0.161 0.000 1.032 255 S CA 1.285 59.410 58.200 -0.124 0.000 1.005 255 S CB -0.335 62.765 63.200 -0.168 0.000 0.867 255 S HN 0.371 nan 8.310 nan 0.000 0.449 256 L N 0.709 121.806 121.223 -0.210 0.000 2.083 256 L HA -0.113 4.251 4.340 0.041 0.000 0.209 256 L C 2.745 179.305 176.870 -0.516 0.000 1.083 256 L CA 1.557 56.157 54.840 -0.400 0.000 0.752 256 L CB -0.988 40.818 42.059 -0.423 0.000 0.899 256 L HN 0.348 nan 8.230 nan 0.000 0.433 257 T N -1.050 113.391 114.554 -0.187 0.000 2.674 257 T HA -0.153 4.221 4.350 0.041 0.000 0.265 257 T C 1.802 176.498 174.700 -0.007 0.000 1.039 257 T CA 1.175 63.298 62.100 0.038 0.000 1.150 257 T CB -0.081 68.894 68.868 0.178 0.000 0.864 257 T HN 0.270 nan 8.240 nan 0.000 0.427 258 E N 1.036 121.217 120.200 -0.032 0.000 2.107 258 E HA 0.003 4.377 4.350 0.041 0.000 0.191 258 E C 2.332 178.909 176.600 -0.038 0.000 0.982 258 E CA 0.877 57.265 56.400 -0.020 0.000 0.809 258 E CB -0.109 29.579 29.700 -0.021 0.000 0.756 258 E HN 0.465 nan 8.360 nan 0.000 0.459 259 R N -0.506 119.942 120.500 -0.085 0.000 2.223 259 R HA 0.115 4.479 4.340 0.041 0.000 0.198 259 R C 1.813 178.050 176.300 -0.105 0.000 0.984 259 R CA 0.306 56.358 56.100 -0.081 0.000 1.018 259 R CB 0.300 30.547 30.300 -0.089 0.000 0.945 259 R HN 0.040 nan 8.270 nan 0.000 0.479 260 L N -2.262 118.856 121.223 -0.175 0.000 2.691 260 L HA 0.183 4.547 4.340 0.041 0.000 0.185 260 L C 1.256 178.107 176.870 -0.031 0.000 1.081 260 L CA 0.608 55.351 54.840 -0.163 0.000 0.865 260 L CB -0.263 41.631 42.059 -0.276 0.000 1.370 260 L HN -0.151 nan 8.230 nan 0.000 0.488 261 Y N 1.709 122.026 120.300 0.029 0.000 2.165 261 Y HA -0.134 4.440 4.550 0.040 0.000 0.286 261 Y C 2.538 178.448 175.900 0.017 0.000 1.155 261 Y CA 1.662 59.787 58.100 0.041 0.000 1.164 261 Y CB -1.269 37.237 38.460 0.076 0.000 0.978 261 Y HN 0.394 nan 8.280 nan 0.000 0.513 262 I N -2.572 118.086 120.570 0.147 0.000 2.830 262 I HA 0.332 4.526 4.170 0.041 0.000 0.263 262 I C 1.079 177.203 176.117 0.012 0.000 1.230 262 I CA 1.005 62.349 61.300 0.072 0.000 1.480 262 I CB -0.449 37.584 38.000 0.055 0.000 1.095 262 I HN 0.153 nan 8.210 nan 0.000 0.455 263 G N -0.315 108.474 108.800 -0.019 0.000 2.362 263 G HA2 0.440 4.425 3.960 0.041 0.000 0.288 263 G HA3 0.440 4.425 3.960 0.041 0.000 0.288 263 G C -0.685 174.071 174.900 -0.240 0.000 1.305 263 G CA -0.339 44.680 45.100 -0.134 0.000 0.910 263 G HN 0.864 nan 8.290 nan 0.000 0.518 264 G N -1.108 107.308 108.800 -0.640 0.000 2.341 264 G HA2 0.711 4.695 3.960 0.041 0.000 0.293 264 G HA3 0.711 4.695 3.960 0.041 0.000 0.293 264 G C -3.446 170.793 174.900 -1.101 0.000 1.298 264 G CA 0.289 44.929 45.100 -0.766 0.000 0.868 264 G HN 0.941 nan 8.290 nan 0.000 0.540 265 P HA 0.474 nan 4.420 nan 0.000 0.275 265 P C -0.618 176.576 177.300 -0.177 0.000 1.228 265 P CA -0.134 62.817 63.100 -0.249 0.000 0.786 265 P CB 1.285 32.985 31.700 0.001 0.000 0.927 266 L N 2.422 123.585 121.223 -0.101 0.000 2.313 266 L HA 0.457 4.821 4.340 0.041 0.000 0.283 266 L C 0.514 177.379 176.870 -0.009 0.000 1.013 266 L CA -0.261 54.548 54.840 -0.050 0.000 0.816 266 L CB 1.666 43.723 42.059 -0.004 0.000 1.236 266 L HN 0.281 nan 8.230 nan 0.000 0.419 267 T N 1.328 115.860 114.554 -0.037 0.000 2.829 267 T HA 0.349 4.724 4.350 0.041 0.000 0.280 267 T C -0.193 174.491 174.700 -0.027 0.000 0.999 267 T CA -0.824 61.260 62.100 -0.027 0.000 0.983 267 T CB 1.550 70.385 68.868 -0.054 0.000 0.968 267 T HN 0.656 nan 8.240 nan 0.000 0.446 268 N N 0.477 119.177 118.700 0.001 0.000 2.364 268 N HA 0.152 4.917 4.740 0.041 0.000 0.264 268 N C 1.422 176.926 175.510 -0.010 0.000 1.263 268 N CA -0.341 52.713 53.050 0.007 0.000 0.959 268 N CB 0.112 38.614 38.487 0.025 0.000 1.204 268 N HN 0.444 nan 8.380 nan 0.000 0.550 269 S N -1.040 114.663 115.700 0.006 0.000 2.442 269 S HA -0.135 4.359 4.470 0.041 0.000 0.236 269 S C 1.022 175.618 174.600 -0.005 0.000 1.007 269 S CA 0.776 58.979 58.200 0.005 0.000 0.965 269 S CB -0.481 62.736 63.200 0.027 0.000 0.773 269 S HN 0.635 nan 8.310 nan 0.000 0.504 270 K N 0.782 121.181 120.400 -0.002 0.000 2.444 270 K HA 0.255 4.600 4.320 0.041 0.000 0.193 270 K C 1.275 177.869 176.600 -0.011 0.000 1.024 270 K CA 0.355 56.640 56.287 -0.004 0.000 1.077 270 K CB -0.217 32.285 32.500 0.004 0.000 0.833 270 K HN 0.551 nan 8.250 nan 0.000 0.517 271 G N 1.752 110.541 108.800 -0.019 0.000 2.159 271 G HA2 -0.304 3.681 3.960 0.041 0.000 0.256 271 G HA3 -0.304 3.681 3.960 0.041 0.000 0.256 271 G C -0.229 174.665 174.900 -0.009 0.000 0.977 271 G CA 0.015 45.100 45.100 -0.025 0.000 0.652 271 G HN 0.376 nan 8.290 nan 0.000 0.531 272 Q N -0.107 119.695 119.800 0.003 0.000 2.259 272 Q HA 0.436 4.800 4.340 0.041 0.000 0.249 272 Q C 0.165 176.181 176.000 0.027 0.000 0.914 272 Q CA -0.638 55.175 55.803 0.016 0.000 0.904 272 Q CB 0.872 29.624 28.738 0.023 0.000 1.213 272 Q HN 0.280 nan 8.270 nan 0.000 0.428 273 N N 0.938 119.660 118.700 0.036 0.000 2.420 273 N HA 0.022 4.786 4.740 0.041 0.000 0.262 273 N C -0.367 175.192 175.510 0.082 0.000 1.144 273 N CA 0.017 53.097 53.050 0.051 0.000 0.952 273 N CB 0.473 38.991 38.487 0.052 0.000 1.081 273 N HN 0.584 nan 8.380 nan 0.000 0.480 274 C N 2.283 121.647 119.300 0.106 0.000 2.512 274 C HA 0.544 5.028 4.460 0.041 0.000 0.276 274 C C 1.279 176.421 174.990 0.254 0.000 1.368 274 C CA 0.606 59.740 59.018 0.192 0.000 1.755 274 C CB -1.358 26.522 27.740 0.233 0.000 2.008 274 C HN 0.915 nan 8.230 nan 0.000 0.511 275 G N -1.735 107.139 108.800 0.123 0.000 2.367 275 G HA2 0.342 4.327 3.960 0.041 0.000 0.272 275 G HA3 0.342 4.327 3.960 0.041 0.000 0.272 275 G C -2.238 172.666 174.900 0.007 0.000 1.271 275 G CA -0.412 44.703 45.100 0.026 0.000 0.893 275 G HN 0.008 nan 8.290 nan 0.000 0.485 276 Y N 0.674 120.839 120.300 -0.226 0.000 2.457 276 Y HA 0.745 5.320 4.550 0.042 0.000 0.343 276 Y C 0.114 175.891 175.900 -0.205 0.000 0.994 276 Y CA -0.854 57.147 58.100 -0.166 0.000 1.031 276 Y CB 1.981 40.361 38.460 -0.135 0.000 1.246 276 Y HN 0.679 nan 8.280 nan 0.000 0.449 277 R N 4.836 125.097 120.500 -0.398 0.000 2.407 277 R HA 0.538 4.902 4.340 0.041 0.000 0.303 277 R C -0.668 175.446 176.300 -0.309 0.000 0.981 277 R CA -0.527 55.349 56.100 -0.373 0.000 0.905 277 R CB 0.846 30.999 30.300 -0.245 0.000 1.099 277 R HN 0.906 nan 8.270 nan 0.000 0.459 278 R N 3.404 123.697 120.500 -0.345 0.000 2.668 278 R HA 0.215 4.579 4.340 0.041 0.000 0.435 278 R C -0.701 175.457 176.300 -0.236 0.000 1.059 278 R CA -0.290 55.699 56.100 -0.184 0.000 1.073 278 R CB 0.447 30.686 30.300 -0.102 0.000 1.401 278 R HN 0.806 nan 8.270 nan 0.000 0.590 279 C N -2.157 116.959 119.300 -0.306 0.000 3.311 279 C HA 0.597 5.081 4.460 0.041 0.000 0.366 279 C C -0.358 174.567 174.990 -0.108 0.000 1.694 279 C CA -1.523 57.360 59.018 -0.225 0.000 1.244 279 C CB 1.206 28.744 27.740 -0.335 0.000 2.038 279 C HN 0.352 nan 8.230 nan 0.000 0.436 280 R N 1.179 121.667 120.500 -0.020 0.000 2.522 280 R HA 0.481 4.846 4.340 0.041 0.000 0.284 280 R C 0.044 176.409 176.300 0.108 0.000 1.032 280 R CA 0.992 57.134 56.100 0.071 0.000 1.049 280 R CB -0.061 30.318 30.300 0.132 0.000 0.956 280 R HN 1.203 nan 8.270 nan 0.000 0.422 281 A N 3.406 126.305 122.820 0.131 0.000 2.301 281 A HA 0.264 4.608 4.320 0.041 0.000 0.298 281 A C 0.958 178.647 177.584 0.176 0.000 1.185 281 A CA -0.019 52.118 52.037 0.166 0.000 0.830 281 A CB 0.742 19.845 19.000 0.172 0.000 1.112 281 A HN 1.009 nan 8.150 nan 0.000 0.508 282 S N 1.991 117.807 115.700 0.193 0.000 2.489 282 S HA 0.049 4.544 4.470 0.041 0.000 0.228 282 S C 1.089 175.787 174.600 0.163 0.000 0.995 282 S CA 0.837 59.142 58.200 0.175 0.000 0.934 282 S CB -0.030 63.277 63.200 0.178 0.000 0.771 282 S HN 1.258 nan 8.310 nan 0.000 0.522 283 G N 1.940 110.861 108.800 0.201 0.000 4.294 283 G HA2 0.522 4.506 3.960 0.041 0.000 0.301 283 G HA3 0.522 4.506 3.960 0.041 0.000 0.301 283 G C -0.182 174.849 174.900 0.219 0.000 1.321 283 G CA -0.072 45.151 45.100 0.206 0.000 1.190 283 G HN 0.653 nan 8.290 nan 0.000 0.600 284 V N -2.431 117.593 119.914 0.183 0.000 3.074 284 V HA 0.572 4.717 4.120 0.041 0.000 0.314 284 V C 1.245 177.416 176.094 0.129 0.000 1.117 284 V CA -0.979 61.444 62.300 0.206 0.000 1.014 284 V CB 1.738 33.739 31.823 0.297 0.000 1.057 284 V HN 0.074 nan 8.190 nan 0.000 0.438 285 L N 2.484 123.796 121.223 0.150 0.000 2.127 285 L HA -0.042 4.322 4.340 0.041 0.000 0.211 285 L C 2.353 179.239 176.870 0.026 0.000 1.089 285 L CA 3.102 58.015 54.840 0.121 0.000 0.757 285 L CB -0.670 41.490 42.059 0.168 0.000 0.899 285 L HN 1.109 nan 8.230 nan 0.000 0.434 286 T N -6.086 108.389 114.554 -0.131 0.000 3.148 286 T HA -0.023 4.352 4.350 0.041 0.000 0.253 286 T C 1.613 176.251 174.700 -0.104 0.000 1.134 286 T CA 0.790 62.771 62.100 -0.197 0.000 1.051 286 T CB -0.720 67.863 68.868 -0.474 0.000 0.959 286 T HN 0.275 nan 8.240 nan 0.000 0.525 287 T N 1.985 116.509 114.554 -0.050 0.000 2.665 287 T HA -0.165 4.209 4.350 0.041 0.000 0.268 287 T C 2.194 176.919 174.700 0.042 0.000 1.035 287 T CA 1.827 63.940 62.100 0.022 0.000 1.151 287 T CB -0.649 68.258 68.868 0.066 0.000 0.862 287 T HN 0.556 nan 8.240 nan 0.000 0.438 288 S N -0.342 115.360 115.700 0.004 0.000 2.345 288 S HA -0.138 4.356 4.470 0.041 0.000 0.220 288 S C 2.455 177.079 174.600 0.041 0.000 1.031 288 S CA 1.345 59.536 58.200 -0.015 0.000 0.996 288 S CB -0.947 62.134 63.200 -0.199 0.000 0.882 288 S HN 0.674 nan 8.310 nan 0.000 0.445 289 C N 1.358 120.660 119.300 0.004 0.000 2.413 289 C HA 0.061 4.545 4.460 0.041 0.000 0.276 289 C C 2.844 177.890 174.990 0.093 0.000 1.236 289 C CA 1.239 60.281 59.018 0.041 0.000 1.735 289 C CB -1.812 25.931 27.740 0.005 0.000 2.031 289 C HN 0.715 nan 8.230 nan 0.000 0.474 290 G N 0.420 109.283 108.800 0.104 0.000 2.446 290 G HA2 -0.237 3.747 3.960 0.041 0.000 0.217 290 G HA3 -0.237 3.747 3.960 0.041 0.000 0.217 290 G C 1.530 176.520 174.900 0.149 0.000 1.168 290 G CA 1.136 46.304 45.100 0.112 0.000 0.771 290 G HN 0.602 nan 8.290 nan 0.000 0.551 291 N N 0.299 119.100 118.700 0.168 0.000 2.166 291 N HA -0.075 4.690 4.740 0.041 0.000 0.186 291 N C 2.405 177.988 175.510 0.122 0.000 1.019 291 N CA 1.572 54.752 53.050 0.216 0.000 0.856 291 N CB -0.652 37.892 38.487 0.095 0.000 0.993 291 N HN 0.249 nan 8.380 nan 0.000 0.426 292 T N 1.624 116.251 114.554 0.122 0.000 2.737 292 T HA 0.011 4.386 4.350 0.041 0.000 0.265 292 T C 2.134 176.923 174.700 0.148 0.000 1.038 292 T CA 0.628 62.814 62.100 0.143 0.000 1.144 292 T CB -0.243 68.779 68.868 0.257 0.000 0.866 292 T HN 0.128 nan 8.240 nan 0.000 0.434 293 L N 0.661 121.945 121.223 0.101 0.000 2.046 293 L HA -0.119 4.245 4.340 0.041 0.000 0.208 293 L C 2.923 179.884 176.870 0.151 0.000 1.077 293 L CA 1.209 56.090 54.840 0.069 0.000 0.747 293 L CB -0.964 41.083 42.059 -0.020 0.000 0.896 293 L HN 0.291 nan 8.230 nan 0.000 0.432 294 T N -1.386 113.279 114.554 0.186 0.000 2.777 294 T HA -0.232 4.142 4.350 0.041 0.000 0.266 294 T C 2.009 176.904 174.700 0.325 0.000 1.040 294 T CA 1.477 63.721 62.100 0.240 0.000 1.141 294 T CB -0.450 68.599 68.868 0.302 0.000 0.868 294 T HN 0.469 nan 8.240 nan 0.000 0.444 295 C N 0.658 120.198 119.300 0.399 0.000 2.429 295 C HA -0.076 4.408 4.460 0.041 0.000 0.277 295 C C 2.394 177.539 174.990 0.258 0.000 1.262 295 C CA 0.473 59.712 59.018 0.369 0.000 1.733 295 C CB -1.422 26.412 27.740 0.157 0.000 2.010 295 C HN 0.651 nan 8.230 nan 0.000 0.483 296 Y N 1.068 121.428 120.300 0.100 0.000 2.181 296 Y HA -0.115 4.459 4.550 0.041 0.000 0.288 296 Y C 2.173 178.085 175.900 0.020 0.000 1.146 296 Y CA 2.113 60.248 58.100 0.058 0.000 1.164 296 Y CB -0.559 37.921 38.460 0.033 0.000 0.982 296 Y HN 0.343 nan 8.280 nan 0.000 0.515 297 L N 1.071 122.364 121.223 0.117 0.000 1.994 297 L HA -0.188 4.176 4.340 0.041 0.000 0.208 297 L C 2.119 178.882 176.870 -0.179 0.000 1.071 297 L CA 2.037 56.820 54.840 -0.095 0.000 0.745 297 L CB -0.908 41.074 42.059 -0.128 0.000 0.892 297 L HN 0.144 nan 8.230 nan 0.000 0.431 298 K N -0.349 120.020 120.400 -0.052 0.000 2.026 298 K HA -0.093 4.252 4.320 0.041 0.000 0.208 298 K C 2.107 178.693 176.600 -0.024 0.000 1.048 298 K CA 1.422 57.675 56.287 -0.057 0.000 0.929 298 K CB -0.494 32.082 32.500 0.127 0.000 0.713 298 K HN 0.500 nan 8.250 nan 0.000 0.439 299 A N 1.140 123.957 122.820 -0.005 0.000 1.902 299 A HA -0.159 4.186 4.320 0.041 0.000 0.217 299 A C 2.244 179.826 177.584 -0.004 0.000 1.181 299 A CA 1.864 53.913 52.037 0.021 0.000 0.623 299 A CB -0.570 18.526 19.000 0.160 0.000 0.818 299 A HN 0.177 nan 8.150 nan 0.000 0.443 300 S N -0.205 115.385 115.700 -0.185 0.000 2.368 300 S HA -0.051 4.443 4.470 0.041 0.000 0.225 300 S C 2.288 176.819 174.600 -0.115 0.000 1.030 300 S CA 1.212 59.270 58.200 -0.237 0.000 0.999 300 S CB -0.434 62.462 63.200 -0.506 0.000 0.844 300 S HN 0.798 nan 8.310 nan 0.000 0.459 301 A N 1.358 124.118 122.820 -0.101 0.000 1.930 301 A HA 0.181 4.525 4.320 0.041 0.000 0.217 301 A C 2.313 179.940 177.584 0.071 0.000 1.175 301 A CA 1.561 53.601 52.037 0.005 0.000 0.627 301 A CB -0.929 18.054 19.000 -0.029 0.000 0.815 301 A HN 0.506 nan 8.150 nan 0.000 0.443 302 A N -1.169 121.682 122.820 0.052 0.000 1.969 302 A HA -0.129 4.216 4.320 0.041 0.000 0.218 302 A C 2.238 179.816 177.584 -0.010 0.000 1.169 302 A CA 1.542 53.478 52.037 -0.168 0.000 0.635 302 A CB -1.151 17.334 19.000 -0.858 0.000 0.810 302 A HN 0.575 nan 8.150 nan 0.000 0.445 303 C N -0.840 118.560 119.300 0.167 0.000 2.440 303 C HA -0.060 4.424 4.460 0.041 0.000 0.278 303 C C 2.872 177.883 174.990 0.035 0.000 1.295 303 C CA 1.041 60.204 59.018 0.241 0.000 1.738 303 C CB -1.227 26.614 27.740 0.168 0.000 1.987 303 C HN 0.605 nan 8.230 nan 0.000 0.492 304 R N 0.971 121.402 120.500 -0.115 0.000 2.092 304 R HA -0.052 4.312 4.340 0.041 0.000 0.231 304 R C 2.352 178.392 176.300 -0.433 0.000 1.119 304 R CA 1.461 57.373 56.100 -0.312 0.000 0.970 304 R CB -0.449 29.549 30.300 -0.503 0.000 0.864 304 R HN 0.530 nan 8.270 nan 0.000 0.440 305 A N 1.249 123.851 122.820 -0.363 0.000 1.930 305 A HA -0.025 4.320 4.320 0.041 0.000 0.217 305 A C 2.211 179.771 177.584 -0.041 0.000 1.175 305 A CA 1.565 53.508 52.037 -0.157 0.000 0.627 305 A CB -0.332 18.645 19.000 -0.038 0.000 0.815 305 A HN 0.365 nan 8.150 nan 0.000 0.443 306 A N -1.375 121.446 122.820 0.002 0.000 2.218 306 A HA 0.289 4.633 4.320 0.041 0.000 0.209 306 A C 0.960 178.562 177.584 0.032 0.000 1.168 306 A CA 0.735 52.801 52.037 0.049 0.000 0.804 306 A CB -0.362 18.723 19.000 0.142 0.000 0.834 306 A HN 0.468 nan 8.150 nan 0.000 0.482 307 K N -1.200 119.202 120.400 0.004 0.000 3.150 307 K HA -0.154 4.191 4.320 0.041 0.000 0.267 307 K C -1.040 175.570 176.600 0.017 0.000 1.028 307 K CA 0.121 56.409 56.287 0.001 0.000 0.753 307 K CB -1.810 30.694 32.500 0.008 0.000 1.288 307 K HN 0.326 nan 8.250 nan 0.000 0.473 308 L N 1.399 122.643 121.223 0.035 0.000 2.426 308 L HA 0.069 4.434 4.340 0.041 0.000 0.271 308 L C 1.010 177.889 176.870 0.015 0.000 1.169 308 L CA 0.778 55.639 54.840 0.037 0.000 0.836 308 L CB 0.609 42.709 42.059 0.069 0.000 1.112 308 L HN 0.130 nan 8.230 nan 0.000 0.465 309 Q N 1.595 121.397 119.800 0.004 0.000 2.230 309 Q HA 0.130 4.494 4.340 0.041 0.000 0.253 309 Q C -0.185 175.802 176.000 -0.021 0.000 0.919 309 Q CA -0.500 55.298 55.803 -0.008 0.000 0.908 309 Q CB 1.194 29.925 28.738 -0.012 0.000 1.245 309 Q HN 0.548 nan 8.270 nan 0.000 0.437 310 D N 0.629 121.016 120.400 -0.021 0.000 2.704 310 D HA -0.200 4.464 4.640 0.041 0.000 0.232 310 D C -0.957 175.320 176.300 -0.038 0.000 1.183 310 D CA 0.303 54.285 54.000 -0.031 0.000 0.647 310 D CB -0.870 39.901 40.800 -0.048 0.000 1.013 310 D HN 0.472 nan 8.370 nan 0.000 0.415 311 C N 0.964 120.251 119.300 -0.021 0.000 2.585 311 C HA 0.509 4.993 4.460 0.041 0.000 0.406 311 C C 0.607 175.588 174.990 -0.015 0.000 1.312 311 C CA 0.168 59.172 59.018 -0.023 0.000 1.924 311 C CB -0.117 27.620 27.740 -0.005 0.000 2.578 311 C HN 0.474 nan 8.230 nan 0.000 0.580 312 T N 7.558 122.092 114.554 -0.033 0.000 2.841 312 T HA 0.493 4.867 4.350 0.041 0.000 0.285 312 T C -0.463 174.244 174.700 0.012 0.000 0.991 312 T CA -0.245 61.860 62.100 0.008 0.000 0.966 312 T CB 1.107 69.947 68.868 -0.047 0.000 0.962 312 T HN 0.622 nan 8.240 nan 0.000 0.438 313 M N 3.054 122.712 119.600 0.097 0.000 2.578 313 M HA 0.676 5.181 4.480 0.041 0.000 0.321 313 M C -1.335 175.084 176.300 0.198 0.000 1.182 313 M CA -1.174 54.179 55.300 0.088 0.000 0.965 313 M CB 2.084 34.732 32.600 0.080 0.000 1.694 313 M HN 0.317 nan 8.290 nan 0.000 0.461 314 L N 2.519 123.820 121.223 0.129 0.000 2.441 314 L HA 0.675 5.040 4.340 0.041 0.000 0.270 314 L C -1.570 175.324 176.870 0.040 0.000 0.973 314 L CA -0.466 54.455 54.840 0.135 0.000 0.842 314 L CB 1.863 44.013 42.059 0.150 0.000 1.239 314 L HN 0.503 nan 8.230 nan 0.000 0.406 315 V N 4.097 124.023 119.914 0.020 0.000 2.540 315 V HA 0.603 4.748 4.120 0.041 0.000 0.302 315 V C -0.735 175.230 176.094 -0.215 0.000 1.035 315 V CA -0.646 61.641 62.300 -0.022 0.000 0.873 315 V CB 2.011 33.909 31.823 0.125 0.000 0.992 315 V HN 0.783 nan 8.190 nan 0.000 0.428 316 N N 3.381 121.909 118.700 -0.287 0.000 2.617 316 N HA 0.615 5.380 4.740 0.041 0.000 0.263 316 N C 0.568 175.990 175.510 -0.146 0.000 1.074 316 N CA 0.567 53.268 53.050 -0.582 0.000 0.841 316 N CB 1.728 39.752 38.487 -0.772 0.000 1.221 316 N HN 1.093 nan 8.380 nan 0.000 0.529 317 G N 2.372 111.223 108.800 0.085 0.000 2.629 317 G HA2 -0.408 3.577 3.960 0.041 0.000 0.313 317 G HA3 -0.408 3.577 3.960 0.041 0.000 0.313 317 G C 0.600 175.366 174.900 -0.223 0.000 1.217 317 G CA 0.773 45.895 45.100 0.037 0.000 0.994 317 G HN 0.627 nan 8.290 nan 0.000 0.549 318 D N 1.597 121.779 120.400 -0.362 0.000 2.349 318 D HA 0.117 4.782 4.640 0.041 0.000 0.224 318 D C 0.282 176.457 176.300 -0.209 0.000 1.029 318 D CA 0.827 54.441 54.000 -0.643 0.000 0.879 318 D CB -0.222 40.177 40.800 -0.668 0.000 0.906 318 D HN 0.399 nan 8.370 nan 0.000 0.528 319 D N 0.431 120.767 120.400 -0.107 0.000 2.312 319 D HA 0.382 5.046 4.640 0.041 0.000 0.252 319 D C -0.821 175.472 176.300 -0.012 0.000 1.150 319 D CA -0.333 53.647 54.000 -0.033 0.000 0.870 319 D CB 1.266 42.039 40.800 -0.046 0.000 1.153 319 D HN 0.056 nan 8.370 nan 0.000 0.457 320 L N 3.713 124.969 121.223 0.054 0.000 2.410 320 L HA 0.627 4.991 4.340 0.041 0.000 0.270 320 L C -1.667 175.196 176.870 -0.011 0.000 0.983 320 L CA -0.694 54.182 54.840 0.060 0.000 0.822 320 L CB 1.967 44.132 42.059 0.176 0.000 1.285 320 L HN 0.203 nan 8.230 nan 0.000 0.409 321 V N 5.262 125.124 119.914 -0.086 0.000 2.588 321 V HA 0.677 4.821 4.120 0.041 0.000 0.304 321 V C -0.802 175.116 176.094 -0.293 0.000 1.042 321 V CA -0.654 61.534 62.300 -0.188 0.000 0.877 321 V CB 2.087 33.844 31.823 -0.109 0.000 0.996 321 V HN 0.539 nan 8.190 nan 0.000 0.425 322 V N 5.965 125.522 119.914 -0.595 0.000 2.588 322 V HA 0.582 4.727 4.120 0.041 0.000 0.304 322 V C -0.499 175.348 176.094 -0.413 0.000 1.042 322 V CA -0.428 61.509 62.300 -0.606 0.000 0.877 322 V CB 2.017 33.184 31.823 -1.095 0.000 0.996 322 V HN 0.705 nan 8.190 nan 0.000 0.425 323 I N 4.965 125.415 120.570 -0.200 0.000 2.436 323 I HA 0.693 4.887 4.170 0.041 0.000 0.289 323 I C -0.057 175.988 176.117 -0.120 0.000 1.010 323 I CA -0.315 60.925 61.300 -0.101 0.000 1.098 323 I CB 1.729 39.706 38.000 -0.038 0.000 1.266 323 I HN 0.904 nan 8.210 nan 0.000 0.434 324 C N 2.572 121.801 119.300 -0.117 0.000 3.321 324 C HA 0.586 5.070 4.460 0.041 0.000 0.363 324 C C -0.661 174.250 174.990 -0.132 0.000 1.705 324 C CA -0.870 58.090 59.018 -0.097 0.000 1.298 324 C CB 1.840 29.562 27.740 -0.030 0.000 2.086 324 C HN 0.602 nan 8.230 nan 0.000 0.438 325 E N 1.798 121.944 120.200 -0.091 0.000 2.229 325 E HA 0.337 4.712 4.350 0.041 0.000 0.283 325 E C -0.007 176.566 176.600 -0.045 0.000 1.030 325 E CA 0.443 56.788 56.400 -0.091 0.000 0.836 325 E CB 1.777 31.435 29.700 -0.070 0.000 1.068 325 E HN 0.706 nan 8.360 nan 0.000 0.401 326 S N 1.751 117.432 115.700 -0.032 0.000 2.572 326 S HA 0.251 4.745 4.470 0.041 0.000 0.279 326 S C 0.582 175.191 174.600 0.014 0.000 1.341 326 S CA 0.252 58.477 58.200 0.042 0.000 1.043 326 S CB 0.638 63.903 63.200 0.109 0.000 0.887 326 S HN 0.540 nan 8.310 nan 0.000 0.516 327 A N 2.952 125.789 122.820 0.029 0.000 2.508 327 A HA 0.658 5.003 4.320 0.041 0.000 0.257 327 A C 0.821 178.408 177.584 0.004 0.000 1.226 327 A CA 0.308 52.350 52.037 0.009 0.000 0.947 327 A CB -0.554 18.452 19.000 0.010 0.000 1.079 327 A HN 1.843 nan 8.150 nan 0.000 0.531 328 G N -1.276 107.529 108.800 0.008 0.000 2.592 328 G HA2 0.184 4.169 3.960 0.041 0.000 0.685 328 G HA3 0.184 4.169 3.960 0.041 0.000 0.685 328 G C 0.490 175.395 174.900 0.008 0.000 1.278 328 G CA 0.202 45.291 45.100 -0.018 0.000 0.822 328 G HN 0.968 nan 8.290 nan 0.000 0.652 329 T N -1.297 113.236 114.554 -0.035 0.000 2.635 329 T HA -0.223 4.152 4.350 0.041 0.000 0.267 329 T C 2.005 176.736 174.700 0.051 0.000 1.040 329 T CA 2.246 64.356 62.100 0.015 0.000 1.156 329 T CB -0.255 68.582 68.868 -0.051 0.000 0.863 329 T HN 0.526 nan 8.240 nan 0.000 0.430 330 Q N 0.957 120.768 119.800 0.018 0.000 2.167 330 Q HA -0.020 4.344 4.340 0.041 0.000 0.202 330 Q C 2.337 178.347 176.000 0.017 0.000 0.970 330 Q CA 1.507 57.320 55.803 0.016 0.000 0.855 330 Q CB -0.321 28.419 28.738 0.004 0.000 0.911 330 Q HN 0.695 nan 8.270 nan 0.000 0.438 331 E N 0.514 120.724 120.200 0.016 0.000 2.152 331 E HA -0.117 4.257 4.350 0.041 0.000 0.192 331 E C 1.489 178.099 176.600 0.017 0.000 0.983 331 E CA 0.899 57.307 56.400 0.013 0.000 0.818 331 E CB -0.003 29.703 29.700 0.010 0.000 0.758 331 E HN 0.266 nan 8.360 nan 0.000 0.467 332 D N 0.084 120.508 120.400 0.041 0.000 2.123 332 D HA -0.055 4.609 4.640 0.041 0.000 0.200 332 D C 1.849 178.143 176.300 -0.009 0.000 0.976 332 D CA 1.363 55.386 54.000 0.038 0.000 0.831 332 D CB -0.301 40.580 40.800 0.134 0.000 0.974 332 D HN 0.189 nan 8.370 nan 0.000 0.469 333 A N 1.020 123.848 122.820 0.013 0.000 1.902 333 A HA -0.053 4.292 4.320 0.041 0.000 0.217 333 A C 2.285 179.853 177.584 -0.027 0.000 1.181 333 A CA 2.202 54.232 52.037 -0.012 0.000 0.623 333 A CB -0.680 18.327 19.000 0.013 0.000 0.818 333 A HN 0.232 nan 8.150 nan 0.000 0.443 334 A N -0.714 122.098 122.820 -0.012 0.000 1.930 334 A HA -0.015 4.330 4.320 0.041 0.000 0.217 334 A C 2.414 179.988 177.584 -0.016 0.000 1.175 334 A CA 1.904 53.934 52.037 -0.011 0.000 0.627 334 A CB -0.735 18.263 19.000 -0.003 0.000 0.815 334 A HN 0.442 nan 8.150 nan 0.000 0.443 335 S N 0.065 115.752 115.700 -0.023 0.000 2.368 335 S HA -0.055 4.440 4.470 0.041 0.000 0.224 335 S C 1.781 176.356 174.600 -0.043 0.000 1.029 335 S CA 1.269 59.457 58.200 -0.019 0.000 0.988 335 S CB -0.389 62.800 63.200 -0.019 0.000 0.838 335 S HN 0.518 nan 8.310 nan 0.000 0.462 336 L N 0.937 122.078 121.223 -0.137 0.000 2.141 336 L HA -0.056 4.308 4.340 0.041 0.000 0.209 336 L C 2.647 179.492 176.870 -0.042 0.000 1.094 336 L CA 1.144 55.840 54.840 -0.240 0.000 0.763 336 L CB -0.529 41.289 42.059 -0.402 0.000 0.908 336 L HN 0.273 nan 8.230 nan 0.000 0.437 337 R N -0.485 120.001 120.500 -0.023 0.000 2.092 337 R HA -0.099 4.265 4.340 0.041 0.000 0.231 337 R C 2.230 178.545 176.300 0.025 0.000 1.119 337 R CA 0.971 57.078 56.100 0.011 0.000 0.970 337 R CB -0.263 30.036 30.300 -0.001 0.000 0.864 337 R HN 0.204 nan 8.270 nan 0.000 0.440 338 V N 0.541 120.469 119.914 0.023 0.000 2.453 338 V HA -0.210 3.934 4.120 0.041 0.000 0.247 338 V C 1.861 177.964 176.094 0.016 0.000 1.048 338 V CA 1.437 63.744 62.300 0.011 0.000 1.049 338 V CB -0.522 31.309 31.823 0.014 0.000 0.672 338 V HN 0.197 nan 8.190 nan 0.000 0.457 339 F N 1.625 121.520 119.950 -0.091 0.000 2.095 339 F HA -0.237 4.314 4.527 0.041 0.000 0.298 339 F C 2.448 178.183 175.800 -0.109 0.000 1.104 339 F CA 2.365 60.305 58.000 -0.100 0.000 1.232 339 F CB -0.528 38.396 39.000 -0.126 0.000 0.987 339 F HN 0.117 nan 8.300 nan 0.000 0.475 340 T N -0.006 114.629 114.554 0.136 0.000 2.788 340 T HA -0.196 4.178 4.350 0.041 0.000 0.268 340 T C 1.700 176.387 174.700 -0.022 0.000 1.044 340 T CA 1.748 63.928 62.100 0.133 0.000 1.139 340 T CB -0.348 68.657 68.868 0.229 0.000 0.867 340 T HN 0.394 nan 8.240 nan 0.000 0.454 341 E N 1.043 121.208 120.200 -0.059 0.000 2.051 341 E HA -0.075 4.299 4.350 0.041 0.000 0.192 341 E C 2.599 179.064 176.600 -0.224 0.000 0.991 341 E CA 1.066 57.404 56.400 -0.104 0.000 0.799 341 E CB -0.251 29.399 29.700 -0.083 0.000 0.748 341 E HN 0.477 nan 8.360 nan 0.000 0.449 342 A N 1.158 123.790 122.820 -0.314 0.000 1.877 342 A HA -0.203 4.141 4.320 0.041 0.000 0.216 342 A C 2.163 179.302 177.584 -0.742 0.000 1.186 342 A CA 1.391 53.089 52.037 -0.566 0.000 0.620 342 A CB -0.361 18.363 19.000 -0.461 0.000 0.822 342 A HN 0.135 nan 8.150 nan 0.000 0.443 343 M N -0.341 118.965 119.600 -0.490 0.000 2.159 343 M HA -0.109 4.395 4.480 0.041 0.000 0.263 343 M C 2.181 178.418 176.300 -0.105 0.000 1.063 343 M CA 2.000 57.142 55.300 -0.264 0.000 1.110 343 M CB -1.879 30.499 32.600 -0.369 0.000 1.374 343 M HN 0.461 nan 8.290 nan 0.000 0.411 344 T N 0.133 114.623 114.554 -0.106 0.000 2.746 344 T HA -0.104 4.270 4.350 0.041 0.000 0.267 344 T C 1.968 176.609 174.700 -0.097 0.000 1.039 344 T CA 1.071 63.143 62.100 -0.047 0.000 1.142 344 T CB -0.172 68.675 68.868 -0.036 0.000 0.866 344 T HN 0.378 nan 8.240 nan 0.000 0.444 345 R N 0.139 120.508 120.500 -0.220 0.000 2.096 345 R HA -0.074 4.291 4.340 0.041 0.000 0.235 345 R C 1.825 178.046 176.300 -0.132 0.000 1.127 345 R CA 1.212 57.179 56.100 -0.222 0.000 0.968 345 R CB -0.383 29.710 30.300 -0.345 0.000 0.861 345 R HN 0.445 nan 8.270 nan 0.000 0.440 346 Y N 0.029 120.282 120.300 -0.079 0.000 2.578 346 Y HA 0.024 4.598 4.550 0.041 0.000 0.297 346 Y C 1.256 177.115 175.900 -0.068 0.000 1.176 346 Y CA 0.056 58.099 58.100 -0.095 0.000 1.315 346 Y CB -0.160 38.268 38.460 -0.053 0.000 1.031 346 Y HN 0.040 nan 8.280 nan 0.000 0.524 347 S N -1.380 114.363 115.700 0.072 0.000 2.990 347 S HA -0.177 4.317 4.470 0.041 0.000 0.273 347 S C 0.309 174.939 174.600 0.050 0.000 1.323 347 S CA 0.476 58.705 58.200 0.047 0.000 1.084 347 S CB -1.561 61.657 63.200 0.031 0.000 1.323 347 S HN 0.616 nan 8.310 nan 0.000 0.682 348 A N 1.834 124.707 122.820 0.088 0.000 3.150 348 A HA 0.593 4.937 4.320 0.041 0.000 0.328 348 A C -1.984 175.737 177.584 0.228 0.000 1.104 348 A CA -1.125 50.999 52.037 0.145 0.000 0.937 348 A CB 0.456 19.589 19.000 0.222 0.000 1.073 348 A HN 0.465 nan 8.150 nan 0.000 0.497 349 P HA 0.238 nan 4.420 nan 0.000 0.272 349 P C -2.925 174.443 177.300 0.112 0.000 1.230 349 P CA -1.088 62.082 63.100 0.116 0.000 0.788 349 P CB 0.705 32.406 31.700 0.002 0.000 0.949 350 P HA 0.116 nan 4.420 nan 0.000 0.281 350 P C 0.766 178.000 177.300 -0.109 0.000 1.249 350 P CA -0.071 62.923 63.100 -0.176 0.000 0.810 350 P CB 0.938 32.497 31.700 -0.236 0.000 1.008 351 G N 1.401 110.127 108.800 -0.124 0.000 2.408 351 G HA2 -0.005 3.980 3.960 0.041 0.000 0.213 351 G HA3 -0.005 3.980 3.960 0.041 0.000 0.213 351 G C 0.041 174.900 174.900 -0.068 0.000 1.177 351 G CA 0.401 45.459 45.100 -0.070 0.000 0.802 351 G HN 0.482 nan 8.290 nan 0.000 0.533 352 D N 0.334 120.681 120.400 -0.088 0.000 2.629 352 D HA 0.352 5.016 4.640 0.041 0.000 0.250 352 D C -2.760 173.498 176.300 -0.070 0.000 1.126 352 D CA -1.153 52.810 54.000 -0.062 0.000 0.852 352 D CB 2.320 43.093 40.800 -0.045 0.000 1.335 352 D HN -0.095 nan 8.370 nan 0.000 0.518 353 P HA 0.074 nan 4.420 nan 0.000 0.261 353 P C -2.198 175.103 177.300 0.002 0.000 1.183 353 P CA -0.599 62.498 63.100 -0.006 0.000 0.761 353 P CB -0.100 31.601 31.700 0.002 0.000 0.785 354 P HA 0.048 nan 4.420 nan 0.000 0.272 354 P C -1.032 176.259 177.300 -0.014 0.000 1.223 354 P CA -0.050 63.086 63.100 0.060 0.000 0.784 354 P CB 0.758 32.564 31.700 0.177 0.000 0.923 355 Q N 1.285 121.085 119.800 0.001 0.000 2.347 355 Q HA 0.627 4.991 4.340 0.041 0.000 0.271 355 Q C -2.943 173.035 176.000 -0.036 0.000 1.064 355 Q CA -2.548 53.238 55.803 -0.028 0.000 0.800 355 Q CB 1.513 30.249 28.738 -0.002 0.000 1.304 355 Q HN 0.196 nan 8.270 nan 0.000 0.438 356 P HA 0.086 nan 4.420 nan 0.000 0.268 356 P C -0.922 176.225 177.300 -0.256 0.000 1.205 356 P CA 0.119 63.112 63.100 -0.179 0.000 0.771 356 P CB 0.628 32.216 31.700 -0.185 0.000 0.858 357 E N 1.648 121.640 120.200 -0.346 0.000 2.293 357 E HA 0.243 4.617 4.350 0.041 0.000 0.270 357 E C -0.729 175.658 176.600 -0.355 0.000 0.879 357 E CA -0.364 55.887 56.400 -0.248 0.000 0.756 357 E CB 1.491 31.151 29.700 -0.067 0.000 1.208 357 E HN 0.417 nan 8.360 nan 0.000 0.428 358 Y N -0.045 120.405 120.300 0.250 0.000 2.682 358 Y HA 0.226 4.801 4.550 0.041 0.000 0.251 358 Y C 0.031 176.187 175.900 0.427 0.000 1.172 358 Y CA -0.435 57.889 58.100 0.372 0.000 1.186 358 Y CB 1.024 39.598 38.460 0.189 0.000 1.216 358 Y HN 0.221 nan 8.280 nan 0.000 0.540 359 D N 0.380 120.907 120.400 0.212 0.000 2.575 359 D HA 0.110 4.774 4.640 0.041 0.000 0.250 359 D C 0.589 176.561 176.300 -0.546 0.000 1.279 359 D CA -0.315 53.636 54.000 -0.083 0.000 0.925 359 D CB 1.756 42.545 40.800 -0.017 0.000 1.261 359 D HN 0.143 nan 8.370 nan 0.000 0.567 360 L N 4.379 124.866 121.223 -1.226 0.000 2.043 360 L HA -0.126 4.239 4.340 0.041 0.000 0.212 360 L C 1.675 178.203 176.870 -0.571 0.000 1.075 360 L CA 2.049 56.138 54.840 -1.252 0.000 0.752 360 L CB -0.283 40.927 42.059 -1.415 0.000 0.891 360 L HN 0.518 nan 8.230 nan 0.000 0.432 361 E N -0.739 119.224 120.200 -0.395 0.000 2.265 361 E HA -0.182 4.192 4.350 0.041 0.000 0.196 361 E C 1.987 178.482 176.600 -0.174 0.000 0.996 361 E CA 0.975 57.238 56.400 -0.229 0.000 0.832 361 E CB -0.202 29.408 29.700 -0.151 0.000 0.756 361 E HN 0.552 nan 8.360 nan 0.000 0.491 362 L N 0.903 122.021 121.223 -0.176 0.000 2.591 362 L HA 0.144 4.508 4.340 0.041 0.000 0.228 362 L C 0.681 177.490 176.870 -0.101 0.000 1.133 362 L CA -0.025 54.750 54.840 -0.108 0.000 0.880 362 L CB 0.052 42.070 42.059 -0.069 0.000 1.033 362 L HN 0.043 nan 8.230 nan 0.000 0.450 363 I N 0.144 120.628 120.570 -0.144 0.000 2.325 363 I HA 0.128 4.323 4.170 0.041 0.000 0.291 363 I C 0.004 176.072 176.117 -0.081 0.000 1.019 363 I CA 0.123 61.360 61.300 -0.104 0.000 1.302 363 I CB 1.345 39.266 38.000 -0.132 0.000 1.401 363 I HN -0.089 nan 8.210 nan 0.000 0.485 364 T N 4.465 118.992 114.554 -0.045 0.000 2.823 364 T HA 0.363 4.737 4.350 0.041 0.000 0.279 364 T C -0.197 174.496 174.700 -0.012 0.000 0.998 364 T CA -0.547 61.536 62.100 -0.028 0.000 0.994 364 T CB 1.281 70.137 68.868 -0.020 0.000 0.960 364 T HN 0.489 nan 8.240 nan 0.000 0.448 365 S N 1.486 117.184 115.700 -0.003 0.000 2.718 365 S HA 0.332 4.826 4.470 0.041 0.000 0.294 365 S C 0.125 174.744 174.600 0.032 0.000 1.157 365 S CA -0.607 57.597 58.200 0.006 0.000 1.121 365 S CB 0.424 63.617 63.200 -0.013 0.000 1.015 365 S HN 1.064 nan 8.310 nan 0.000 0.479 366 C N 2.992 122.315 119.300 0.037 0.000 4.300 366 C HA -0.258 4.226 4.460 0.041 0.000 0.304 366 C C 1.162 176.194 174.990 0.070 0.000 1.367 366 C CA 0.868 59.922 59.018 0.060 0.000 2.032 366 C CB -2.935 24.852 27.740 0.078 0.000 1.285 366 C HN 1.283 nan 8.230 nan 0.000 0.737 367 S N -1.618 114.107 115.700 0.041 0.000 2.691 367 S HA -0.232 4.262 4.470 0.041 0.000 0.262 367 S C 0.247 174.862 174.600 0.024 0.000 1.284 367 S CA 1.748 59.961 58.200 0.021 0.000 1.372 367 S CB -1.521 61.690 63.200 0.018 0.000 1.693 367 S HN 2.416 nan 8.310 nan 0.000 0.647 368 S N 2.553 118.294 115.700 0.067 0.000 2.565 368 S HA 0.759 5.253 4.470 0.041 0.000 0.290 368 S C -0.575 174.047 174.600 0.037 0.000 1.150 368 S CA -0.249 58.011 58.200 0.099 0.000 1.058 368 S CB 1.794 65.124 63.200 0.218 0.000 1.032 368 S HN 0.601 nan 8.310 nan 0.000 0.510 369 N N 0.256 118.967 118.700 0.018 0.000 2.610 369 N HA 0.358 5.123 4.740 0.041 0.000 0.264 369 N C -1.541 173.914 175.510 -0.091 0.000 1.348 369 N CA -0.769 52.251 53.050 -0.050 0.000 0.819 369 N CB 1.374 39.819 38.487 -0.071 0.000 1.521 369 N HN 0.455 nan 8.380 nan 0.000 0.497 370 V N 0.356 120.184 119.914 -0.144 0.000 2.607 370 V HA 0.505 4.649 4.120 0.041 0.000 0.289 370 V C 0.468 176.424 176.094 -0.230 0.000 1.053 370 V CA -0.088 62.098 62.300 -0.189 0.000 0.996 370 V CB 0.977 32.690 31.823 -0.183 0.000 0.995 370 V HN 0.857 nan 8.190 nan 0.000 0.476 371 S N 2.662 118.126 115.700 -0.393 0.000 2.685 371 S HA 0.787 5.282 4.470 0.041 0.000 0.282 371 S C -1.339 173.058 174.600 -0.338 0.000 1.159 371 S CA -0.461 57.520 58.200 -0.365 0.000 0.833 371 S CB 2.062 65.020 63.200 -0.403 0.000 1.151 371 S HN 0.678 nan 8.310 nan 0.000 0.485 372 V N 1.093 120.921 119.914 -0.144 0.000 2.769 372 V HA 1.005 5.149 4.120 0.041 0.000 0.312 372 V C -0.223 175.823 176.094 -0.081 0.000 1.061 372 V CA 0.308 62.494 62.300 -0.190 0.000 0.931 372 V CB 1.258 32.848 31.823 -0.388 0.000 1.010 372 V HN 1.353 nan 8.190 nan 0.000 0.433 373 A N 4.431 127.066 122.820 -0.308 0.000 2.535 373 A HA 0.863 5.207 4.320 0.041 0.000 0.296 373 A C -1.393 175.704 177.584 -0.811 0.000 1.248 373 A CA -0.596 51.114 52.037 -0.546 0.000 0.686 373 A CB 1.706 20.227 19.000 -0.799 0.000 1.315 373 A HN 0.929 nan 8.150 nan 0.000 0.460 374 H N 0.319 119.044 119.070 -0.575 0.000 2.637 374 H HA 0.420 5.001 4.556 0.041 0.000 0.363 374 H C -1.081 173.919 175.328 -0.547 0.000 1.131 374 H CA -0.211 55.514 56.048 -0.538 0.000 1.183 374 H CB 1.881 31.290 29.762 -0.589 0.000 1.637 374 H HN 0.925 nan 8.280 nan 0.000 0.531 375 D N 0.573 120.883 120.400 -0.149 0.000 2.478 375 D HA 0.241 4.906 4.640 0.041 0.000 0.274 375 D C 1.386 177.773 176.300 0.145 0.000 1.234 375 D CA -0.342 53.638 54.000 -0.033 0.000 1.069 375 D CB 0.396 41.185 40.800 -0.018 0.000 1.113 375 D HN 0.423 nan 8.370 nan 0.000 0.571 376 A N -0.280 122.627 122.820 0.145 0.000 1.948 376 A HA -0.159 4.185 4.320 0.041 0.000 0.220 376 A C 1.986 179.644 177.584 0.123 0.000 1.177 376 A CA 2.405 54.530 52.037 0.146 0.000 0.636 376 A CB -1.285 17.764 19.000 0.081 0.000 0.815 376 A HN 0.642 nan 8.150 nan 0.000 0.449 377 S N -1.797 113.957 115.700 0.089 0.000 2.650 377 S HA 0.379 4.874 4.470 0.041 0.000 0.219 377 S C 1.349 175.992 174.600 0.072 0.000 0.960 377 S CA 0.974 59.212 58.200 0.064 0.000 0.925 377 S CB -0.459 62.766 63.200 0.042 0.000 0.775 377 S HN 1.957 nan 8.310 nan 0.000 0.525 378 G N 1.283 110.156 108.800 0.121 0.000 2.162 378 G HA2 -0.332 3.652 3.960 0.041 0.000 0.260 378 G HA3 -0.332 3.652 3.960 0.041 0.000 0.260 378 G C -0.027 174.941 174.900 0.113 0.000 0.976 378 G CA 0.452 45.603 45.100 0.085 0.000 0.655 378 G HN 0.777 nan 8.290 nan 0.000 0.533 379 K N 0.525 120.981 120.400 0.093 0.000 2.237 379 K HA 0.449 4.793 4.320 0.041 0.000 0.270 379 K C 0.728 177.346 176.600 0.029 0.000 1.015 379 K CA -0.739 55.592 56.287 0.074 0.000 0.949 379 K CB 0.326 32.840 32.500 0.024 0.000 0.976 379 K HN 0.280 nan 8.250 nan 0.000 0.472 380 R N 1.866 122.331 120.500 -0.057 0.000 2.401 380 R HA 0.154 4.519 4.340 0.041 0.000 0.299 380 R C -0.673 175.416 176.300 -0.352 0.000 1.064 380 R CA -0.348 55.538 56.100 -0.357 0.000 1.000 380 R CB 1.135 31.239 30.300 -0.326 0.000 0.973 380 R HN 0.304 nan 8.270 nan 0.000 0.438 381 V N 5.428 125.074 119.914 -0.446 0.000 2.588 381 V HA 0.388 4.533 4.120 0.041 0.000 0.304 381 V C -1.377 174.555 176.094 -0.270 0.000 1.042 381 V CA -0.767 61.377 62.300 -0.261 0.000 0.877 381 V CB 1.288 33.014 31.823 -0.161 0.000 0.996 381 V HN 0.613 nan 8.190 nan 0.000 0.425 382 Y N 7.217 127.503 120.300 -0.023 0.000 2.310 382 Y HA 0.704 5.279 4.550 0.040 0.000 0.326 382 Y C -0.027 175.919 175.900 0.075 0.000 1.151 382 Y CA -0.030 58.056 58.100 -0.023 0.000 1.195 382 Y CB 1.456 39.864 38.460 -0.087 0.000 1.210 382 Y HN 0.784 nan 8.280 nan 0.000 0.483 383 Y N 0.169 120.516 120.300 0.078 0.000 2.625 383 Y HA 0.674 5.248 4.550 0.041 0.000 0.338 383 Y C -2.181 173.765 175.900 0.076 0.000 1.123 383 Y CA -2.006 56.122 58.100 0.046 0.000 1.046 383 Y CB 0.673 39.129 38.460 -0.007 0.000 1.299 383 Y HN 0.467 nan 8.280 nan 0.000 0.464 384 L N 2.133 123.411 121.223 0.091 0.000 2.292 384 L HA 0.739 5.103 4.340 0.041 0.000 0.284 384 L C 0.048 177.102 176.870 0.306 0.000 1.065 384 L CA 0.463 55.357 54.840 0.090 0.000 0.806 384 L CB 1.334 43.474 42.059 0.135 0.000 1.175 384 L HN 1.035 nan 8.230 nan 0.000 0.431 385 T N 4.350 119.029 114.554 0.209 0.000 2.716 385 T HA 0.883 5.258 4.350 0.041 0.000 0.286 385 T C -1.183 173.619 174.700 0.169 0.000 1.052 385 T CA -0.581 61.711 62.100 0.320 0.000 1.024 385 T CB 1.143 70.180 68.868 0.282 0.000 1.349 385 T HN 0.852 nan 8.240 nan 0.000 0.525 386 R N 0.429 120.966 120.500 0.061 0.000 2.741 386 R HA 0.433 4.797 4.340 0.041 0.000 0.276 386 R C -1.653 174.472 176.300 -0.293 0.000 1.028 386 R CA -0.976 55.050 56.100 -0.123 0.000 0.865 386 R CB 0.324 30.487 30.300 -0.228 0.000 1.268 386 R HN 0.519 nan 8.270 nan 0.000 0.475 387 D N 2.096 122.330 120.400 -0.276 0.000 2.450 387 D HA 0.055 4.720 4.640 0.041 0.000 0.247 387 D C -1.337 174.603 176.300 -0.599 0.000 1.162 387 D CA -1.374 52.419 54.000 -0.344 0.000 0.879 387 D CB 1.316 41.996 40.800 -0.199 0.000 1.163 387 D HN 0.381 nan 8.370 nan 0.000 0.472 388 P HA -0.028 nan 4.420 nan 0.000 0.245 388 P C 1.179 178.157 177.300 -0.536 0.000 1.212 388 P CA 0.196 62.627 63.100 -1.115 0.000 0.774 388 P CB 0.331 31.223 31.700 -1.346 0.000 0.999 389 T N 0.200 114.554 114.554 -0.333 0.000 2.597 389 T HA -0.150 4.224 4.350 0.041 0.000 0.267 389 T C 1.811 176.445 174.700 -0.110 0.000 1.053 389 T CA 2.532 64.533 62.100 -0.166 0.000 1.165 389 T CB -1.142 67.672 68.868 -0.091 0.000 0.863 389 T HN 0.212 nan 8.240 nan 0.000 0.427 390 T N 1.967 116.461 114.554 -0.100 0.000 2.777 390 T HA -0.028 4.347 4.350 0.041 0.000 0.266 390 T C -0.587 174.071 174.700 -0.070 0.000 1.040 390 T CA 1.038 63.107 62.100 -0.051 0.000 1.141 390 T CB -1.092 67.779 68.868 0.005 0.000 0.868 390 T HN 0.338 nan 8.240 nan 0.000 0.444 391 P HA 0.023 nan 4.420 nan 0.000 0.216 391 P C 1.445 178.774 177.300 0.048 0.000 1.150 391 P CA 0.869 63.963 63.100 -0.009 0.000 0.837 391 P CB -0.151 31.503 31.700 -0.076 0.000 0.786 392 L N -1.411 119.790 121.223 -0.036 0.000 2.109 392 L HA -0.095 4.270 4.340 0.041 0.000 0.207 392 L C 2.445 179.343 176.870 0.045 0.000 1.086 392 L CA 1.387 56.229 54.840 0.003 0.000 0.760 392 L CB -1.160 40.859 42.059 -0.065 0.000 0.910 392 L HN -0.052 nan 8.230 nan 0.000 0.437 393 A N 0.343 123.181 122.820 0.031 0.000 1.898 393 A HA -0.181 4.164 4.320 0.041 0.000 0.216 393 A C 2.393 180.047 177.584 0.117 0.000 1.181 393 A CA 1.336 53.415 52.037 0.070 0.000 0.620 393 A CB -0.411 18.609 19.000 0.033 0.000 0.819 393 A HN 0.310 nan 8.150 nan 0.000 0.442 394 R N -0.555 119.987 120.500 0.071 0.000 2.092 394 R HA -0.011 4.354 4.340 0.041 0.000 0.231 394 R C 2.460 178.927 176.300 0.279 0.000 1.119 394 R CA 1.023 57.192 56.100 0.114 0.000 0.970 394 R CB -0.432 29.878 30.300 0.017 0.000 0.864 394 R HN 0.507 nan 8.270 nan 0.000 0.440 395 A N 1.514 124.507 122.820 0.288 0.000 1.902 395 A HA -0.133 4.211 4.320 0.041 0.000 0.217 395 A C 2.397 180.196 177.584 0.357 0.000 1.181 395 A CA 1.727 54.032 52.037 0.447 0.000 0.623 395 A CB -0.631 18.614 19.000 0.410 0.000 0.818 395 A HN 0.384 nan 8.150 nan 0.000 0.443 396 A N -1.244 121.701 122.820 0.209 0.000 1.877 396 A HA -0.199 4.146 4.320 0.041 0.000 0.216 396 A C 2.126 179.846 177.584 0.227 0.000 1.186 396 A CA 1.464 53.593 52.037 0.154 0.000 0.620 396 A CB -0.944 18.135 19.000 0.132 0.000 0.822 396 A HN 0.843 nan 8.150 nan 0.000 0.443 397 W N 0.984 122.347 121.300 0.104 0.000 2.335 397 W HA -0.168 4.516 4.660 0.040 0.000 0.311 397 W C 1.687 178.291 176.519 0.141 0.000 1.213 397 W CA 2.026 59.428 57.345 0.095 0.000 1.274 397 W CB -0.402 29.088 29.460 0.051 0.000 1.148 397 W HN 0.546 nan 8.180 nan 0.000 0.498 398 E N -0.749 119.741 120.200 0.482 0.000 2.338 398 E HA -0.143 4.231 4.350 0.041 0.000 0.197 398 E C 1.951 178.769 176.600 0.365 0.000 1.007 398 E CA 1.524 58.185 56.400 0.436 0.000 0.849 398 E CB -0.053 29.949 29.700 0.503 0.000 0.774 398 E HN 0.135 nan 8.360 nan 0.000 0.506 399 T N -0.033 114.708 114.554 0.312 0.000 2.937 399 T HA 0.027 4.401 4.350 0.041 0.000 0.260 399 T C 1.846 176.601 174.700 0.093 0.000 1.051 399 T CA 0.921 63.163 62.100 0.238 0.000 1.141 399 T CB 0.120 69.124 68.868 0.227 0.000 0.879 399 T HN 0.203 nan 8.240 nan 0.000 0.459 400 A N 1.034 123.853 122.820 -0.003 0.000 2.081 400 A HA 0.261 4.606 4.320 0.041 0.000 0.214 400 A C 1.237 178.715 177.584 -0.177 0.000 1.158 400 A CA 0.384 52.350 52.037 -0.117 0.000 0.724 400 A CB 0.158 19.037 19.000 -0.203 0.000 0.826 400 A HN 0.317 nan 8.150 nan 0.000 0.463 401 R N -1.610 118.791 120.500 -0.165 0.000 2.888 401 R HA 0.451 4.816 4.340 0.041 0.000 0.264 401 R C -1.214 175.156 176.300 0.116 0.000 1.045 401 R CA -0.742 55.285 56.100 -0.123 0.000 0.962 401 R CB 0.992 31.140 30.300 -0.253 0.000 1.210 401 R HN 0.454 nan 8.270 nan 0.000 0.479 402 H N 0.822 119.923 119.070 0.053 0.000 2.652 402 H HA 0.159 4.732 4.556 0.029 0.000 0.298 402 H C -0.161 175.242 175.328 0.124 0.000 1.076 402 H CA -0.285 55.818 56.048 0.091 0.000 1.360 402 H CB 1.033 30.836 29.762 0.067 0.000 1.421 402 H HN 0.493 nan 8.280 nan 0.000 0.464 403 T N 0.895 115.597 114.554 0.246 0.000 2.918 403 T HA 0.211 4.586 4.350 0.041 0.000 0.286 403 T C -1.332 173.408 174.700 0.068 0.000 1.026 403 T CA -1.816 60.393 62.100 0.182 0.000 1.031 403 T CB 2.128 71.130 68.868 0.222 0.000 1.046 403 T HN 0.395 nan 8.240 nan 0.000 0.479 404 P HA 0.126 nan 4.420 nan 0.000 0.218 404 P C -0.005 177.232 177.300 -0.106 0.000 1.152 404 P CA 0.304 63.357 63.100 -0.078 0.000 0.826 404 P CB 0.155 31.809 31.700 -0.077 0.000 0.790 405 V N 1.592 121.466 119.914 -0.067 0.000 2.417 405 V HA 0.232 4.377 4.120 0.041 0.000 0.291 405 V C -0.442 175.600 176.094 -0.086 0.000 1.024 405 V CA -0.658 61.587 62.300 -0.092 0.000 0.861 405 V CB 1.205 32.980 31.823 -0.081 0.000 0.985 405 V HN -0.040 nan 8.190 nan 0.000 0.436 406 N N 2.426 121.014 118.700 -0.187 0.000 2.767 406 N HA 0.144 4.909 4.740 0.041 0.000 0.238 406 N C 1.325 176.605 175.510 -0.383 0.000 1.083 406 N CA 0.051 52.912 53.050 -0.316 0.000 0.964 406 N CB 1.123 39.212 38.487 -0.664 0.000 1.252 406 N HN 0.779 nan 8.380 nan 0.000 0.512 407 S N 1.610 117.230 115.700 -0.134 0.000 2.419 407 S HA -0.175 4.319 4.470 0.041 0.000 0.235 407 S C 1.690 176.274 174.600 -0.026 0.000 1.019 407 S CA 0.460 58.626 58.200 -0.058 0.000 0.982 407 S CB -0.456 62.762 63.200 0.030 0.000 0.789 407 S HN 0.814 nan 8.310 nan 0.000 0.490 408 W N 1.219 122.464 121.300 -0.092 0.000 2.363 408 W HA -0.007 4.670 4.660 0.028 0.000 0.296 408 W C 1.711 178.163 176.519 -0.111 0.000 1.212 408 W CA 0.472 57.737 57.345 -0.133 0.000 1.260 408 W CB -1.083 28.022 29.460 -0.592 0.000 1.131 408 W HN 0.368 nan 8.180 nan 0.000 0.530 409 L N 2.882 123.486 121.223 -1.032 0.000 2.056 409 L HA 0.139 4.503 4.340 0.041 0.000 0.207 409 L C 2.660 179.337 176.870 -0.323 0.000 1.078 409 L CA 2.801 57.103 54.840 -0.897 0.000 0.749 409 L CB -1.353 39.950 42.059 -1.259 0.000 0.901 409 L HN 0.048 nan 8.230 nan 0.000 0.433 410 G N -0.668 107.971 108.800 -0.269 0.000 2.418 410 G HA2 -0.297 3.687 3.960 0.041 0.000 0.217 410 G HA3 -0.297 3.687 3.960 0.041 0.000 0.217 410 G C 1.469 176.377 174.900 0.014 0.000 1.158 410 G CA 0.764 45.791 45.100 -0.122 0.000 0.771 410 G HN 0.443 nan 8.290 nan 0.000 0.545 411 N N 0.578 119.350 118.700 0.121 0.000 2.166 411 N HA -0.028 4.737 4.740 0.041 0.000 0.186 411 N C 2.234 177.883 175.510 0.232 0.000 1.019 411 N CA 0.676 53.918 53.050 0.319 0.000 0.856 411 N CB -0.160 38.600 38.487 0.456 0.000 0.993 411 N HN 0.332 nan 8.380 nan 0.000 0.426 412 I N 0.899 121.572 120.570 0.171 0.000 2.226 412 I HA -0.213 3.982 4.170 0.041 0.000 0.245 412 I C 2.021 178.191 176.117 0.088 0.000 1.100 412 I CA 0.852 62.235 61.300 0.139 0.000 1.374 412 I CB -0.094 38.053 38.000 0.245 0.000 1.057 412 I HN 0.050 nan 8.210 nan 0.000 0.413 413 I N -0.158 120.465 120.570 0.088 0.000 2.202 413 I HA -0.285 3.909 4.170 0.041 0.000 0.242 413 I C 2.466 178.676 176.117 0.155 0.000 1.091 413 I CA 1.155 62.533 61.300 0.130 0.000 1.368 413 I CB -0.191 37.873 38.000 0.107 0.000 1.058 413 I HN 0.200 nan 8.210 nan 0.000 0.410 414 M N -0.655 118.953 119.600 0.013 0.000 2.254 414 M HA -0.115 4.390 4.480 0.041 0.000 0.265 414 M C 1.183 177.258 176.300 -0.376 0.000 1.066 414 M CA 1.715 56.907 55.300 -0.180 0.000 1.123 414 M CB -0.767 31.602 32.600 -0.384 0.000 1.388 414 M HN 0.194 nan 8.290 nan 0.000 0.425 415 Y N -0.532 119.750 120.300 -0.030 0.000 2.681 415 Y HA 0.472 5.046 4.550 0.040 0.000 0.267 415 Y C 1.863 177.502 175.900 -0.435 0.000 1.166 415 Y CA -0.311 57.656 58.100 -0.222 0.000 1.209 415 Y CB -0.993 37.271 38.460 -0.325 0.000 1.161 415 Y HN 0.164 nan 8.280 nan 0.000 0.534 416 A N 1.052 123.672 122.820 -0.334 0.000 1.971 416 A HA -0.200 4.144 4.320 0.041 0.000 0.222 416 A C -0.385 176.922 177.584 -0.462 0.000 1.182 416 A CA 1.881 53.691 52.037 -0.379 0.000 0.649 416 A CB -1.412 17.373 19.000 -0.358 0.000 0.818 416 A HN 0.291 nan 8.150 nan 0.000 0.458 417 P HA 0.029 nan 4.420 nan 0.000 0.236 417 P C 0.668 177.683 177.300 -0.475 0.000 1.177 417 P CA 1.184 63.996 63.100 -0.479 0.000 0.773 417 P CB -0.388 31.049 31.700 -0.439 0.000 0.878 418 T N -2.524 111.762 114.554 -0.447 0.000 2.898 418 T HA 0.101 4.475 4.350 0.041 0.000 0.301 418 T C 1.135 175.423 174.700 -0.687 0.000 1.049 418 T CA -0.610 61.180 62.100 -0.518 0.000 1.095 418 T CB 0.537 68.916 68.868 -0.816 0.000 0.976 418 T HN -0.201 nan 8.240 nan 0.000 0.539 419 L N 2.334 123.070 121.223 -0.812 0.000 2.012 419 L HA -0.001 4.363 4.340 0.041 0.000 0.210 419 L C 2.443 178.989 176.870 -0.540 0.000 1.073 419 L CA 1.832 56.136 54.840 -0.894 0.000 0.748 419 L CB -0.954 40.515 42.059 -0.984 0.000 0.891 419 L HN 0.936 nan 8.230 nan 0.000 0.431 420 W N -0.867 120.215 121.300 -0.362 0.000 2.409 420 W HA 0.034 4.718 4.660 0.039 0.000 0.299 420 W C 2.045 178.425 176.519 -0.233 0.000 1.203 420 W CA 0.857 58.027 57.345 -0.292 0.000 1.298 420 W CB -1.500 27.825 29.460 -0.226 0.000 1.127 420 W HN 0.309 nan 8.180 nan 0.000 0.528 421 A N 1.856 124.228 122.820 -0.748 0.000 1.930 421 A HA -0.144 4.201 4.320 0.041 0.000 0.217 421 A C 2.257 179.696 177.584 -0.242 0.000 1.175 421 A CA 1.861 53.618 52.037 -0.467 0.000 0.627 421 A CB -0.741 17.842 19.000 -0.695 0.000 0.815 421 A HN 0.322 nan 8.150 nan 0.000 0.443 422 R N -1.055 119.220 120.500 -0.376 0.000 2.057 422 R HA 0.072 4.437 4.340 0.041 0.000 0.229 422 R C 2.260 178.393 176.300 -0.279 0.000 1.136 422 R CA 1.643 57.546 56.100 -0.329 0.000 0.952 422 R CB -0.353 29.605 30.300 -0.570 0.000 0.848 422 R HN 0.495 nan 8.270 nan 0.000 0.430 423 M N -0.150 119.125 119.600 -0.542 0.000 2.254 423 M HA -0.027 4.478 4.480 0.041 0.000 0.265 423 M C 1.844 178.088 176.300 -0.093 0.000 1.066 423 M CA 1.470 56.536 55.300 -0.390 0.000 1.123 423 M CB 0.101 32.384 32.600 -0.529 0.000 1.388 423 M HN 0.142 nan 8.290 nan 0.000 0.425 424 I N -0.838 119.542 120.570 -0.318 0.000 3.098 424 I HA -0.088 4.107 4.170 0.041 0.000 0.241 424 I C 2.072 178.040 176.117 -0.249 0.000 1.081 424 I CA 0.274 61.160 61.300 -0.689 0.000 1.487 424 I CB -0.326 37.181 38.000 -0.822 0.000 1.366 424 I HN 0.109 nan 8.210 nan 0.000 0.463 425 L N 0.457 121.692 121.223 0.020 0.000 2.012 425 L HA -0.236 4.129 4.340 0.041 0.000 0.210 425 L C 2.713 179.861 176.870 0.465 0.000 1.073 425 L CA 1.729 56.766 54.840 0.329 0.000 0.748 425 L CB -0.521 41.792 42.059 0.424 0.000 0.891 425 L HN 0.307 nan 8.230 nan 0.000 0.431 426 M N -0.916 118.924 119.600 0.401 0.000 2.086 426 M HA -0.179 4.325 4.480 0.041 0.000 0.261 426 M C 2.341 179.104 176.300 0.770 0.000 1.067 426 M CA 2.053 57.690 55.300 0.562 0.000 1.116 426 M CB -0.693 32.062 32.600 0.257 0.000 1.348 426 M HN 0.265 nan 8.290 nan 0.000 0.407 427 T N -1.156 113.832 114.554 0.723 0.000 2.622 427 T HA -0.237 4.137 4.350 0.041 0.000 0.266 427 T C 1.650 176.636 174.700 0.477 0.000 1.047 427 T CA 2.015 64.541 62.100 0.711 0.000 1.159 427 T CB -0.615 68.696 68.868 0.738 0.000 0.863 427 T HN 0.466 nan 8.240 nan 0.000 0.422 428 H N 0.524 119.746 119.070 0.253 0.000 2.267 428 H HA -0.074 4.507 4.556 0.042 0.000 0.297 428 H C 1.819 177.012 175.328 -0.224 0.000 1.080 428 H CA 1.798 57.851 56.048 0.007 0.000 1.278 428 H CB -0.577 29.014 29.762 -0.286 0.000 1.365 428 H HN 0.347 nan 8.280 nan 0.000 0.489 429 F N -1.164 118.715 119.950 -0.120 0.000 2.259 429 F HA -0.007 4.541 4.527 0.035 0.000 0.298 429 F C 2.038 177.673 175.800 -0.275 0.000 1.088 429 F CA 0.578 58.294 58.000 -0.473 0.000 1.358 429 F CB -0.521 37.839 39.000 -1.068 0.000 1.040 429 F HN 0.153 nan 8.300 nan 0.000 0.505 430 F N -0.748 119.300 119.950 0.164 0.000 2.325 430 F HA -0.142 4.414 4.527 0.049 0.000 0.299 430 F C 2.673 178.516 175.800 0.072 0.000 1.090 430 F CA 1.268 59.386 58.000 0.196 0.000 1.392 430 F CB -0.623 38.601 39.000 0.372 0.000 1.053 430 F HN -0.105 nan 8.300 nan 0.000 0.521 431 S N 0.378 116.168 115.700 0.150 0.000 2.355 431 S HA -0.159 4.335 4.470 0.041 0.000 0.222 431 S C 2.132 176.703 174.600 -0.048 0.000 1.031 431 S CA 1.381 59.597 58.200 0.027 0.000 0.993 431 S CB -0.390 62.801 63.200 -0.014 0.000 0.859 431 S HN 0.320 nan 8.310 nan 0.000 0.453 432 I N 1.281 121.758 120.570 -0.156 0.000 2.163 432 I HA -0.166 4.028 4.170 0.041 0.000 0.240 432 I C 2.252 178.337 176.117 -0.054 0.000 1.081 432 I CA 1.127 62.336 61.300 -0.151 0.000 1.353 432 I CB -0.415 37.429 38.000 -0.261 0.000 1.054 432 I HN 0.299 nan 8.210 nan 0.000 0.407 433 L N 0.204 121.400 121.223 -0.044 0.000 2.079 433 L HA -0.250 4.114 4.340 0.041 0.000 0.210 433 L C 2.562 179.449 176.870 0.029 0.000 1.081 433 L CA 1.281 56.117 54.840 -0.006 0.000 0.752 433 L CB -0.506 41.517 42.059 -0.060 0.000 0.896 433 L HN 0.310 nan 8.230 nan 0.000 0.433 434 L N -0.589 120.664 121.223 0.050 0.000 1.994 434 L HA -0.227 4.138 4.340 0.041 0.000 0.208 434 L C 2.879 179.768 176.870 0.033 0.000 1.071 434 L CA 1.363 56.242 54.840 0.065 0.000 0.745 434 L CB -0.555 41.550 42.059 0.076 0.000 0.892 434 L HN 0.255 nan 8.230 nan 0.000 0.431 435 A N -0.586 122.241 122.820 0.012 0.000 1.851 435 A HA -0.281 4.063 4.320 0.041 0.000 0.216 435 A C 2.045 179.636 177.584 0.012 0.000 1.195 435 A CA 1.714 53.752 52.037 0.003 0.000 0.622 435 A CB -0.689 18.302 19.000 -0.015 0.000 0.831 435 A HN 0.529 nan 8.150 nan 0.000 0.444 436 Q N -0.563 119.246 119.800 0.014 0.000 2.541 436 Q HA -0.026 4.339 4.340 0.041 0.000 0.215 436 Q C -0.706 175.314 176.000 0.034 0.000 0.977 436 Q CA 0.541 56.361 55.803 0.027 0.000 0.934 436 Q CB -0.168 28.593 28.738 0.038 0.000 0.988 436 Q HN 0.717 nan 8.270 nan 0.000 0.521 437 E N 0.364 120.584 120.200 0.034 0.000 2.252 437 E HA -0.252 4.122 4.350 0.041 0.000 0.218 437 E C -0.497 176.131 176.600 0.045 0.000 1.253 437 E CA 0.252 56.676 56.400 0.041 0.000 0.705 437 E CB -1.029 28.692 29.700 0.035 0.000 1.172 437 E HN 0.493 nan 8.360 nan 0.000 0.369 438 Q N -0.257 119.572 119.800 0.048 0.000 2.129 438 Q HA 0.207 4.571 4.340 0.041 0.000 0.274 438 Q C 1.379 177.411 176.000 0.053 0.000 0.854 438 Q CA -0.217 55.617 55.803 0.052 0.000 1.123 438 Q CB 0.529 29.301 28.738 0.057 0.000 1.226 438 Q HN 0.385 nan 8.270 nan 0.000 0.454 439 L N 0.130 121.389 121.223 0.060 0.000 2.131 439 L HA -0.155 4.209 4.340 0.041 0.000 0.210 439 L C 1.615 178.532 176.870 0.078 0.000 1.092 439 L CA 1.483 56.367 54.840 0.073 0.000 0.759 439 L CB 0.013 42.146 42.059 0.123 0.000 0.903 439 L HN 0.316 nan 8.230 nan 0.000 0.435 440 E N -0.375 119.867 120.200 0.069 0.000 2.479 440 E HA -0.017 4.357 4.350 0.041 0.000 0.193 440 E C 0.558 177.191 176.600 0.054 0.000 1.049 440 E CA -0.129 56.309 56.400 0.064 0.000 0.870 440 E CB 0.336 30.070 29.700 0.058 0.000 0.944 440 E HN 0.215 nan 8.360 nan 0.000 0.492 441 K N 2.037 122.468 120.400 0.052 0.000 2.349 441 K HA 0.272 4.616 4.320 0.041 0.000 0.288 441 K C -0.403 176.221 176.600 0.041 0.000 1.058 441 K CA -0.271 56.043 56.287 0.045 0.000 0.953 441 K CB 0.706 33.233 32.500 0.045 0.000 0.997 441 K HN -0.089 nan 8.250 nan 0.000 0.477 442 A N 5.272 128.113 122.820 0.036 0.000 2.498 442 A HA 0.293 4.637 4.320 0.041 0.000 0.239 442 A C -0.434 177.153 177.584 0.006 0.000 1.068 442 A CA -0.096 51.957 52.037 0.027 0.000 0.766 442 A CB 0.132 19.155 19.000 0.039 0.000 1.003 442 A HN 0.778 nan 8.150 nan 0.000 0.497 443 L N 1.742 122.949 121.223 -0.026 0.000 2.354 443 L HA 0.419 4.783 4.340 0.041 0.000 0.264 443 L C -0.847 175.961 176.870 -0.103 0.000 1.008 443 L CA -1.017 53.779 54.840 -0.073 0.000 0.819 443 L CB 2.176 44.163 42.059 -0.120 0.000 1.339 443 L HN 0.607 nan 8.230 nan 0.000 0.420 444 D N 1.225 121.553 120.400 -0.119 0.000 2.177 444 D HA 0.514 5.178 4.640 0.041 0.000 0.247 444 D C -0.624 175.570 176.300 -0.176 0.000 1.063 444 D CA -0.045 53.888 54.000 -0.112 0.000 0.867 444 D CB 1.973 42.716 40.800 -0.096 0.000 1.168 444 D HN 0.598 nan 8.370 nan 0.000 0.445 445 C N 0.269 119.474 119.300 -0.159 0.000 3.241 445 C HA 0.630 5.114 4.460 0.041 0.000 0.312 445 C C -0.959 173.966 174.990 -0.108 0.000 1.350 445 C CA -0.877 58.029 59.018 -0.186 0.000 1.415 445 C CB 1.584 29.160 27.740 -0.272 0.000 1.770 445 C HN 0.515 nan 8.230 nan 0.000 0.466 446 Q N 0.993 120.739 119.800 -0.089 0.000 2.309 446 Q HA 0.710 5.075 4.340 0.041 0.000 0.264 446 Q C -1.108 174.866 176.000 -0.043 0.000 1.008 446 Q CA -0.616 55.169 55.803 -0.030 0.000 0.853 446 Q CB 2.143 30.874 28.738 -0.011 0.000 1.314 446 Q HN 0.663 nan 8.270 nan 0.000 0.448 447 I N 3.116 123.678 120.570 -0.012 0.000 2.468 447 I HA 0.150 4.344 4.170 0.041 0.000 0.284 447 I C -0.930 175.215 176.117 0.046 0.000 1.038 447 I CA -0.644 60.560 61.300 -0.160 0.000 1.083 447 I CB 0.596 38.232 38.000 -0.607 0.000 1.223 447 I HN 0.704 nan 8.210 nan 0.000 0.443 448 Y N 5.053 125.407 120.300 0.090 0.000 3.389 448 Y HA -0.205 4.370 4.550 0.042 0.000 0.213 448 Y C 1.582 177.479 175.900 -0.005 0.000 1.272 448 Y CA 1.114 59.255 58.100 0.068 0.000 1.444 448 Y CB -1.910 36.586 38.460 0.059 0.000 1.445 448 Y HN 0.940 nan 8.280 nan 0.000 0.583 449 G N -1.950 106.955 108.800 0.176 0.000 2.304 449 G HA2 -0.076 3.908 3.960 0.041 0.000 0.252 449 G HA3 -0.076 3.908 3.960 0.041 0.000 0.252 449 G C 0.540 175.495 174.900 0.092 0.000 1.014 449 G CA 0.305 45.471 45.100 0.109 0.000 0.619 449 G HN 1.638 nan 8.290 nan 0.000 0.525 450 A N -0.274 122.620 122.820 0.122 0.000 2.354 450 A HA 0.591 4.936 4.320 0.041 0.000 0.269 450 A C 0.776 178.240 177.584 -0.200 0.000 1.109 450 A CA 0.528 52.533 52.037 -0.054 0.000 0.800 450 A CB 0.705 19.662 19.000 -0.072 0.000 1.045 450 A HN 1.520 nan 8.150 nan 0.000 0.489 451 C N 2.907 122.027 119.300 -0.300 0.000 2.435 451 C HA 0.684 5.169 4.460 0.041 0.000 0.375 451 C C -0.926 173.708 174.990 -0.593 0.000 1.281 451 C CA -0.305 58.561 59.018 -0.253 0.000 1.963 451 C CB -1.421 26.300 27.740 -0.032 0.000 2.490 451 C HN 0.647 nan 8.230 nan 0.000 0.557 452 Y N 3.156 123.280 120.300 -0.293 0.000 2.391 452 Y HA 0.400 4.974 4.550 0.039 0.000 0.341 452 Y C 0.380 176.133 175.900 -0.245 0.000 0.965 452 Y CA -0.273 57.599 58.100 -0.380 0.000 1.067 452 Y CB 1.830 39.965 38.460 -0.542 0.000 1.199 452 Y HN 0.608 nan 8.280 nan 0.000 0.450 453 S N 4.694 120.354 115.700 -0.066 0.000 2.422 453 S HA 0.708 5.202 4.470 0.041 0.000 0.298 453 S C -0.815 173.805 174.600 0.032 0.000 1.118 453 S CA -0.253 57.955 58.200 0.013 0.000 1.083 453 S CB -0.414 62.835 63.200 0.081 0.000 0.971 453 S HN 0.544 nan 8.310 nan 0.000 0.478 454 I N 3.675 124.251 120.570 0.009 0.000 2.647 454 I HA 0.385 4.580 4.170 0.041 0.000 0.295 454 I C -0.357 175.772 176.117 0.021 0.000 1.078 454 I CA -0.727 60.593 61.300 0.034 0.000 1.048 454 I CB 2.398 40.412 38.000 0.024 0.000 1.239 454 I HN 0.529 nan 8.210 nan 0.000 0.421 455 E N 6.069 126.301 120.200 0.053 0.000 2.146 455 E HA 0.216 4.591 4.350 0.041 0.000 0.282 455 E C -1.866 174.782 176.600 0.080 0.000 0.989 455 E CA -1.585 54.850 56.400 0.057 0.000 0.799 455 E CB 1.432 31.172 29.700 0.066 0.000 1.088 455 E HN 0.302 nan 8.360 nan 0.000 0.397 456 P HA -0.205 nan 4.420 nan 0.000 0.217 456 P C 0.918 178.365 177.300 0.246 0.000 1.148 456 P CA 1.154 64.322 63.100 0.113 0.000 0.834 456 P CB 0.222 31.916 31.700 -0.010 0.000 0.783 457 L N -0.986 120.358 121.223 0.202 0.000 2.549 457 L HA -0.102 4.263 4.340 0.041 0.000 0.229 457 L C 1.231 178.200 176.870 0.165 0.000 1.158 457 L CA 1.083 56.057 54.840 0.225 0.000 0.842 457 L CB -0.540 41.614 42.059 0.159 0.000 0.952 457 L HN 0.013 nan 8.230 nan 0.000 0.452 458 D N -0.551 119.933 120.400 0.141 0.000 2.349 458 D HA 0.040 4.705 4.640 0.041 0.000 0.214 458 D C 2.215 178.580 176.300 0.109 0.000 1.063 458 D CA 0.179 54.234 54.000 0.093 0.000 0.847 458 D CB 0.503 41.346 40.800 0.070 0.000 0.933 458 D HN 0.304 nan 8.370 nan 0.000 0.513 459 L N 1.071 122.404 121.223 0.183 0.000 2.081 459 L HA -0.157 4.207 4.340 0.041 0.000 0.212 459 L C -0.480 176.500 176.870 0.184 0.000 1.080 459 L CA 1.583 56.548 54.840 0.209 0.000 0.754 459 L CB -1.410 40.846 42.059 0.327 0.000 0.893 459 L HN 0.025 nan 8.230 nan 0.000 0.433 460 P HA -0.181 nan 4.420 nan 0.000 0.216 460 P C 1.469 178.826 177.300 0.096 0.000 1.153 460 P CA 1.278 64.425 63.100 0.079 0.000 0.848 460 P CB 0.050 31.638 31.700 -0.186 0.000 0.787 461 Q N -0.877 118.923 119.800 0.000 0.000 2.046 461 Q HA -0.093 4.272 4.340 0.041 0.000 0.200 461 Q C 2.206 178.192 176.000 -0.022 0.000 0.975 461 Q CA 1.171 56.955 55.803 -0.032 0.000 0.836 461 Q CB -0.579 28.124 28.738 -0.058 0.000 0.896 461 Q HN 0.268 nan 8.270 nan 0.000 0.428 462 I N 0.542 121.107 120.570 -0.009 0.000 2.179 462 I HA -0.298 3.897 4.170 0.041 0.000 0.242 462 I C 2.179 178.295 176.117 -0.002 0.000 1.088 462 I CA 1.218 62.483 61.300 -0.058 0.000 1.357 462 I CB -0.262 37.749 38.000 0.019 0.000 1.051 462 I HN 0.211 nan 8.210 nan 0.000 0.409 463 I N 0.381 121.016 120.570 0.109 0.000 2.252 463 I HA -0.274 3.921 4.170 0.041 0.000 0.245 463 I C 2.629 178.754 176.117 0.013 0.000 1.102 463 I CA 1.338 62.717 61.300 0.131 0.000 1.385 463 I CB -0.380 37.720 38.000 0.166 0.000 1.064 463 I HN 0.294 nan 8.210 nan 0.000 0.414 464 E N 0.994 121.238 120.200 0.072 0.000 2.077 464 E HA -0.230 4.145 4.350 0.041 0.000 0.193 464 E C 2.377 178.955 176.600 -0.038 0.000 0.989 464 E CA 0.979 57.401 56.400 0.036 0.000 0.800 464 E CB 0.151 29.930 29.700 0.133 0.000 0.746 464 E HN 0.263 nan 8.360 nan 0.000 0.452 465 R N 0.124 120.584 120.500 -0.068 0.000 2.075 465 R HA -0.062 4.303 4.340 0.041 0.000 0.232 465 R C 2.442 178.649 176.300 -0.154 0.000 1.126 465 R CA 0.825 56.856 56.100 -0.116 0.000 0.963 465 R CB -0.447 29.752 30.300 -0.168 0.000 0.858 465 R HN 0.335 nan 8.270 nan 0.000 0.435 466 L N -0.859 120.240 121.223 -0.207 0.000 2.162 466 L HA -0.039 4.326 4.340 0.041 0.000 0.205 466 L C 1.810 178.361 176.870 -0.532 0.000 1.086 466 L CA 0.924 55.538 54.840 -0.377 0.000 0.778 466 L CB -0.247 41.526 42.059 -0.477 0.000 0.928 466 L HN 0.240 nan 8.230 nan 0.000 0.446 467 H N -0.855 118.133 119.070 -0.136 0.000 3.046 467 H HA 0.322 4.903 4.556 0.040 0.000 0.262 467 H C 0.920 176.151 175.328 -0.161 0.000 1.044 467 H CA 0.751 56.705 56.048 -0.157 0.000 1.209 467 H CB 1.058 30.698 29.762 -0.204 0.000 1.507 467 H HN 0.273 nan 8.280 nan 0.000 0.507 468 G N 1.064 109.826 108.800 -0.063 0.000 2.746 468 G HA2 -0.224 3.760 3.960 0.041 0.000 0.685 468 G HA3 -0.224 3.760 3.960 0.041 0.000 0.685 468 G C 0.666 175.500 174.900 -0.111 0.000 1.350 468 G CA -0.189 44.877 45.100 -0.057 0.000 0.837 468 G HN 0.207 nan 8.290 nan 0.000 0.564 469 L N 0.965 122.187 121.223 -0.000 0.000 2.265 469 L HA -0.103 4.261 4.340 0.041 0.000 0.215 469 L C 3.162 180.045 176.870 0.021 0.000 1.117 469 L CA 2.110 57.015 54.840 0.109 0.000 0.782 469 L CB -0.541 41.643 42.059 0.209 0.000 0.914 469 L HN 0.908 nan 8.230 nan 0.000 0.441 470 S N 0.058 115.732 115.700 -0.043 0.000 2.442 470 S HA -0.132 4.363 4.470 0.041 0.000 0.236 470 S C 2.081 176.592 174.600 -0.147 0.000 1.007 470 S CA 0.739 58.906 58.200 -0.056 0.000 0.965 470 S CB -0.294 62.871 63.200 -0.058 0.000 0.773 470 S HN 0.366 nan 8.310 nan 0.000 0.504 471 A N 0.521 123.154 122.820 -0.310 0.000 2.121 471 A HA 0.208 4.553 4.320 0.041 0.000 0.218 471 A C 1.386 178.760 177.584 -0.350 0.000 1.154 471 A CA 0.786 52.563 52.037 -0.432 0.000 0.679 471 A CB -0.763 17.877 19.000 -0.601 0.000 0.795 471 A HN 0.591 nan 8.150 nan 0.000 0.458 472 F N -0.215 119.753 119.950 0.029 0.000 2.727 472 F HA 0.145 4.696 4.527 0.040 0.000 0.302 472 F C 1.626 177.474 175.800 0.081 0.000 1.097 472 F CA 0.411 58.454 58.000 0.071 0.000 1.330 472 F CB 0.135 39.207 39.000 0.119 0.000 1.084 472 F HN 0.235 nan 8.300 nan 0.000 0.578 473 S N -1.361 114.445 115.700 0.176 0.000 3.009 473 S HA 0.320 4.814 4.470 0.041 0.000 0.254 473 S C -0.054 174.620 174.600 0.124 0.000 1.004 473 S CA -0.394 57.905 58.200 0.164 0.000 1.119 473 S CB -0.691 62.597 63.200 0.147 0.000 1.075 473 S HN 0.032 nan 8.310 nan 0.000 0.618 474 L N 3.150 124.360 121.223 -0.021 0.000 2.461 474 L HA 0.455 4.819 4.340 0.041 0.000 0.272 474 L C 0.587 177.359 176.870 -0.163 0.000 1.197 474 L CA 0.140 54.839 54.840 -0.235 0.000 0.836 474 L CB 0.075 41.840 42.059 -0.491 0.000 1.105 474 L HN 0.688 nan 8.230 nan 0.000 0.477 475 H N -1.776 117.088 119.070 -0.344 0.000 2.918 475 H HA 0.349 4.929 4.556 0.040 0.000 0.303 475 H C -0.366 174.842 175.328 -0.200 0.000 1.380 475 H CA -0.829 55.105 56.048 -0.190 0.000 1.134 475 H CB 0.993 30.749 29.762 -0.011 0.000 1.842 475 H HN 0.382 nan 8.280 nan 0.000 0.533 476 S N -0.521 115.225 115.700 0.077 0.000 3.697 476 S HA -0.229 4.266 4.470 0.041 0.000 0.388 476 S C -0.575 174.036 174.600 0.018 0.000 0.941 476 S CA 0.468 58.726 58.200 0.097 0.000 1.247 476 S CB -2.414 60.846 63.200 0.101 0.000 0.904 476 S HN 0.527 nan 8.310 nan 0.000 0.518 477 Y N 1.880 122.203 120.300 0.040 0.000 2.385 477 Y HA 0.284 4.859 4.550 0.041 0.000 0.346 477 Y C 1.436 177.369 175.900 0.055 0.000 1.270 477 Y CA 0.480 58.600 58.100 0.033 0.000 1.472 477 Y CB 0.357 38.835 38.460 0.030 0.000 1.354 477 Y HN 0.529 nan 8.280 nan 0.000 0.611 478 S N 1.321 117.152 115.700 0.218 0.000 2.572 478 S HA 0.107 4.601 4.470 0.041 0.000 0.279 478 S C -2.010 172.663 174.600 0.121 0.000 1.341 478 S CA -1.063 57.212 58.200 0.125 0.000 1.043 478 S CB 1.158 64.405 63.200 0.079 0.000 0.887 478 S HN 0.438 nan 8.310 nan 0.000 0.516 479 P HA -0.004 nan 4.420 nan 0.000 0.215 479 P C 1.747 179.081 177.300 0.057 0.000 1.153 479 P CA 1.662 64.804 63.100 0.069 0.000 0.853 479 P CB -0.433 31.299 31.700 0.054 0.000 0.788 480 G N -0.135 108.693 108.800 0.048 0.000 2.418 480 G HA2 -0.286 3.698 3.960 0.041 0.000 0.217 480 G HA3 -0.286 3.698 3.960 0.041 0.000 0.217 480 G C 1.663 176.585 174.900 0.037 0.000 1.158 480 G CA 0.938 46.057 45.100 0.033 0.000 0.771 480 G HN 0.258 nan 8.290 nan 0.000 0.545 481 E N 0.766 121.004 120.200 0.064 0.000 2.051 481 E HA -0.076 4.299 4.350 0.041 0.000 0.192 481 E C 2.455 179.088 176.600 0.054 0.000 0.991 481 E CA 0.877 57.325 56.400 0.079 0.000 0.799 481 E CB -0.409 29.390 29.700 0.165 0.000 0.748 481 E HN 0.510 nan 8.360 nan 0.000 0.449 482 I N 0.687 121.294 120.570 0.062 0.000 2.163 482 I HA -0.292 3.902 4.170 0.041 0.000 0.243 482 I C 2.365 178.495 176.117 0.023 0.000 1.085 482 I CA 1.527 62.847 61.300 0.034 0.000 1.347 482 I CB -0.565 37.471 38.000 0.060 0.000 1.044 482 I HN 0.226 nan 8.210 nan 0.000 0.408 483 N N 1.250 119.966 118.700 0.028 0.000 2.069 483 N HA -0.256 4.508 4.740 0.041 0.000 0.191 483 N C 1.995 177.506 175.510 0.002 0.000 1.031 483 N CA 1.598 54.659 53.050 0.018 0.000 0.852 483 N CB -0.189 38.310 38.487 0.019 0.000 1.018 483 N HN 0.147 nan 8.380 nan 0.000 0.423 484 R N -0.217 120.279 120.500 -0.006 0.000 2.073 484 R HA -0.074 4.290 4.340 0.041 0.000 0.234 484 R C 1.843 178.111 176.300 -0.053 0.000 1.134 484 R CA 1.493 57.574 56.100 -0.032 0.000 0.952 484 R CB -0.372 29.903 30.300 -0.042 0.000 0.850 484 R HN 0.122 nan 8.270 nan 0.000 0.433 485 V N 1.060 120.947 119.914 -0.045 0.000 2.295 485 V HA -0.229 3.915 4.120 0.041 0.000 0.246 485 V C 2.513 178.588 176.094 -0.032 0.000 1.049 485 V CA 1.944 64.209 62.300 -0.059 0.000 1.024 485 V CB -0.812 30.999 31.823 -0.020 0.000 0.648 485 V HN 0.581 nan 8.190 nan 0.000 0.447 486 A N -0.167 122.650 122.820 -0.006 0.000 1.883 486 A HA -0.238 4.107 4.320 0.041 0.000 0.217 486 A C 2.480 180.069 177.584 0.009 0.000 1.186 486 A CA 2.467 54.513 52.037 0.014 0.000 0.624 486 A CB -0.833 18.182 19.000 0.025 0.000 0.822 486 A HN 0.526 nan 8.150 nan 0.000 0.444 487 S N -1.238 114.461 115.700 -0.001 0.000 2.382 487 S HA -0.215 4.279 4.470 0.041 0.000 0.228 487 S C 2.029 176.624 174.600 -0.009 0.000 1.027 487 S CA 1.251 59.451 58.200 -0.001 0.000 0.991 487 S CB -0.948 62.249 63.200 -0.004 0.000 0.823 487 S HN 0.798 nan 8.310 nan 0.000 0.469 488 C N 1.898 121.178 119.300 -0.033 0.000 2.440 488 C HA 0.061 4.545 4.460 0.041 0.000 0.278 488 C C 2.407 177.376 174.990 -0.034 0.000 1.295 488 C CA 0.401 59.389 59.018 -0.050 0.000 1.738 488 C CB -1.601 26.075 27.740 -0.108 0.000 1.987 488 C HN 0.566 nan 8.230 nan 0.000 0.492 489 L N 0.371 121.582 121.223 -0.021 0.000 2.046 489 L HA -0.102 4.263 4.340 0.041 0.000 0.208 489 L C 3.075 179.937 176.870 -0.013 0.000 1.077 489 L CA 1.624 56.466 54.840 0.003 0.000 0.747 489 L CB -0.798 41.294 42.059 0.055 0.000 0.896 489 L HN 0.343 nan 8.230 nan 0.000 0.432 490 R N 0.317 120.818 120.500 0.002 0.000 2.073 490 R HA -0.202 4.162 4.340 0.041 0.000 0.234 490 R C 2.352 178.662 176.300 0.017 0.000 1.134 490 R CA 1.516 57.620 56.100 0.008 0.000 0.952 490 R CB -0.332 29.986 30.300 0.030 0.000 0.850 490 R HN 0.285 nan 8.270 nan 0.000 0.433 491 K N 0.807 121.226 120.400 0.032 0.000 2.032 491 K HA -0.170 4.174 4.320 0.041 0.000 0.209 491 K C 1.635 178.302 176.600 0.111 0.000 1.048 491 K CA 1.435 57.769 56.287 0.080 0.000 0.927 491 K CB 0.011 32.539 32.500 0.047 0.000 0.712 491 K HN 0.006 nan 8.250 nan 0.000 0.441 492 L N -0.107 121.113 121.223 -0.005 0.000 2.554 492 L HA 0.176 4.540 4.340 0.041 0.000 0.226 492 L C 1.126 177.775 176.870 -0.368 0.000 1.137 492 L CA 1.168 55.980 54.840 -0.046 0.000 0.863 492 L CB 0.046 42.093 42.059 -0.019 0.000 0.985 492 L HN 0.514 nan 8.230 nan 0.000 0.451 493 G N -0.247 108.185 108.800 -0.613 0.000 2.212 493 G HA2 -0.210 3.775 3.960 0.041 0.000 0.255 493 G HA3 -0.210 3.775 3.960 0.041 0.000 0.255 493 G C 0.028 174.763 174.900 -0.274 0.000 1.062 493 G CA 0.117 44.718 45.100 -0.832 0.000 0.815 493 G HN 0.107 nan 8.290 nan 0.000 0.497 494 V N 0.698 120.548 119.914 -0.106 0.000 2.481 494 V HA 0.471 4.615 4.120 0.041 0.000 0.286 494 V C -1.343 174.825 176.094 0.123 0.000 1.042 494 V CA -1.700 60.642 62.300 0.069 0.000 0.928 494 V CB 1.692 33.593 31.823 0.130 0.000 0.986 494 V HN 0.152 nan 8.190 nan 0.000 0.462 495 P HA 0.099 nan 4.420 nan 0.000 0.265 495 P C -2.431 174.974 177.300 0.174 0.000 1.187 495 P CA -0.631 62.484 63.100 0.024 0.000 0.766 495 P CB -0.146 31.388 31.700 -0.277 0.000 0.820 496 P HA 0.016 nan 4.420 nan 0.000 0.270 496 P C 0.912 178.377 177.300 0.275 0.000 1.223 496 P CA 0.075 63.272 63.100 0.162 0.000 0.785 496 P CB 0.751 32.506 31.700 0.091 0.000 0.923 497 L N 0.982 122.381 121.223 0.293 0.000 2.081 497 L HA -0.240 4.124 4.340 0.041 0.000 0.212 497 L C 2.913 179.948 176.870 0.275 0.000 1.080 497 L CA 2.036 57.081 54.840 0.341 0.000 0.754 497 L CB -0.916 41.243 42.059 0.167 0.000 0.893 497 L HN 0.495 nan 8.230 nan 0.000 0.433 498 R N -0.187 120.412 120.500 0.166 0.000 2.105 498 R HA -0.129 4.236 4.340 0.041 0.000 0.239 498 R C 1.966 178.328 176.300 0.104 0.000 1.135 498 R CA 1.588 57.753 56.100 0.109 0.000 0.967 498 R CB -1.060 29.302 30.300 0.103 0.000 0.861 498 R HN 0.161 nan 8.270 nan 0.000 0.442 499 V N 0.428 120.390 119.914 0.079 0.000 2.358 499 V HA -0.169 3.976 4.120 0.041 0.000 0.246 499 V C 1.899 177.942 176.094 -0.085 0.000 1.047 499 V CA 1.710 63.993 62.300 -0.027 0.000 1.035 499 V CB -0.637 31.033 31.823 -0.254 0.000 0.658 499 V HN 0.392 nan 8.190 nan 0.000 0.452 500 W N 0.138 121.526 121.300 0.147 0.000 2.374 500 W HA -0.105 4.578 4.660 0.038 0.000 0.288 500 W C 2.693 179.376 176.519 0.273 0.000 1.218 500 W CA 1.383 58.850 57.345 0.203 0.000 1.245 500 W CB -0.254 29.328 29.460 0.204 0.000 1.126 500 W HN 0.064 nan 8.180 nan 0.000 0.545 501 R N -0.361 120.381 120.500 0.403 0.000 2.096 501 R HA -0.178 4.186 4.340 0.041 0.000 0.235 501 R C 2.051 178.336 176.300 -0.024 0.000 1.127 501 R CA 1.680 57.936 56.100 0.259 0.000 0.968 501 R CB -0.543 29.820 30.300 0.105 0.000 0.861 501 R HN 0.241 nan 8.270 nan 0.000 0.440 502 H N 0.058 119.176 119.070 0.080 0.000 2.363 502 H HA -0.007 4.573 4.556 0.040 0.000 0.301 502 H C 2.133 177.440 175.328 -0.036 0.000 1.074 502 H CA 1.373 57.416 56.048 -0.008 0.000 1.354 502 H CB -0.016 29.727 29.762 -0.031 0.000 1.397 502 H HN 0.239 nan 8.280 nan 0.000 0.516 503 R N 0.432 120.992 120.500 0.100 0.000 2.120 503 R HA -0.028 4.337 4.340 0.041 0.000 0.234 503 R C 2.471 178.771 176.300 0.001 0.000 1.123 503 R CA 0.941 57.066 56.100 0.042 0.000 0.975 503 R CB -0.111 30.216 30.300 0.045 0.000 0.866 503 R HN 0.199 nan 8.270 nan 0.000 0.446 504 A N 1.239 124.076 122.820 0.028 0.000 1.898 504 A HA -0.140 4.205 4.320 0.041 0.000 0.216 504 A C 2.046 179.383 177.584 -0.411 0.000 1.181 504 A CA 1.021 52.927 52.037 -0.219 0.000 0.620 504 A CB -0.289 18.645 19.000 -0.109 0.000 0.819 504 A HN 0.197 nan 8.150 nan 0.000 0.442 505 R N -0.610 119.738 120.500 -0.254 0.000 2.105 505 R HA -0.111 4.254 4.340 0.041 0.000 0.239 505 R C 2.601 178.784 176.300 -0.195 0.000 1.135 505 R CA 1.490 57.456 56.100 -0.222 0.000 0.967 505 R CB -0.362 29.868 30.300 -0.116 0.000 0.861 505 R HN 0.557 nan 8.270 nan 0.000 0.442 506 S N 0.136 115.743 115.700 -0.154 0.000 2.357 506 S HA -0.079 4.415 4.470 0.041 0.000 0.221 506 S C 2.035 176.530 174.600 -0.174 0.000 1.031 506 S CA 1.073 59.196 58.200 -0.127 0.000 0.982 506 S CB -0.071 63.080 63.200 -0.082 0.000 0.853 506 S HN 0.104 nan 8.310 nan 0.000 0.458 507 V N 2.664 122.426 119.914 -0.253 0.000 2.287 507 V HA -0.168 3.976 4.120 0.041 0.000 0.248 507 V C 2.691 178.563 176.094 -0.370 0.000 1.053 507 V CA 2.292 64.411 62.300 -0.302 0.000 1.027 507 V CB -0.887 30.670 31.823 -0.443 0.000 0.646 507 V HN 0.505 nan 8.190 nan 0.000 0.447 508 R N 0.361 120.533 120.500 -0.546 0.000 2.096 508 R HA -0.229 4.135 4.340 0.041 0.000 0.240 508 R C 2.301 178.497 176.300 -0.173 0.000 1.139 508 R CA 2.000 57.879 56.100 -0.369 0.000 0.952 508 R CB -0.535 29.563 30.300 -0.337 0.000 0.854 508 R HN 0.483 nan 8.270 nan 0.000 0.436 509 A N 0.881 123.608 122.820 -0.155 0.000 1.877 509 A HA -0.174 4.171 4.320 0.041 0.000 0.216 509 A C 2.217 179.762 177.584 -0.064 0.000 1.186 509 A CA 1.664 53.645 52.037 -0.093 0.000 0.620 509 A CB -0.470 18.480 19.000 -0.084 0.000 0.822 509 A HN 0.382 nan 8.150 nan 0.000 0.443 510 R N -0.550 119.910 120.500 -0.067 0.000 2.120 510 R HA -0.015 4.349 4.340 0.041 0.000 0.234 510 R C 2.004 178.301 176.300 -0.005 0.000 1.123 510 R CA 1.341 57.422 56.100 -0.032 0.000 0.975 510 R CB -0.443 29.840 30.300 -0.028 0.000 0.866 510 R HN 0.543 nan 8.270 nan 0.000 0.446 511 L N 0.002 121.220 121.223 -0.009 0.000 2.072 511 L HA -0.139 4.226 4.340 0.041 0.000 0.205 511 L C 2.167 179.052 176.870 0.025 0.000 1.079 511 L CA 1.056 55.917 54.840 0.037 0.000 0.752 511 L CB -0.360 41.730 42.059 0.050 0.000 0.906 511 L HN 0.199 nan 8.230 nan 0.000 0.436 512 L N -0.974 120.247 121.223 -0.003 0.000 2.131 512 L HA -0.223 4.142 4.340 0.041 0.000 0.210 512 L C 2.825 179.696 176.870 0.001 0.000 1.092 512 L CA 1.125 55.963 54.840 -0.004 0.000 0.759 512 L CB -0.517 41.527 42.059 -0.025 0.000 0.903 512 L HN 0.252 nan 8.230 nan 0.000 0.435 513 S N -0.353 115.345 115.700 -0.003 0.000 2.383 513 S HA -0.230 4.265 4.470 0.041 0.000 0.229 513 S C 1.870 176.477 174.600 0.012 0.000 1.030 513 S CA 1.382 59.582 58.200 0.000 0.000 1.002 513 S CB -0.070 63.128 63.200 -0.003 0.000 0.829 513 S HN 0.505 nan 8.310 nan 0.000 0.467 514 Q N 0.315 120.129 119.800 0.023 0.000 2.435 514 Q HA 0.228 4.592 4.340 0.041 0.000 0.207 514 Q C 1.386 177.406 176.000 0.033 0.000 0.956 514 Q CA 0.280 56.102 55.803 0.032 0.000 0.917 514 Q CB -0.243 28.524 28.738 0.049 0.000 0.997 514 Q HN 0.643 nan 8.270 nan 0.000 0.497 515 G N 0.619 109.437 108.800 0.029 0.000 2.682 515 G HA2 -0.183 3.802 3.960 0.041 0.000 0.256 515 G HA3 -0.183 3.802 3.960 0.041 0.000 0.256 515 G C 0.470 175.393 174.900 0.038 0.000 1.333 515 G CA -0.099 45.019 45.100 0.029 0.000 0.904 515 G HN 0.748 nan 8.290 nan 0.000 0.569 516 G N -1.115 107.706 108.800 0.035 0.000 2.574 516 G HA2 -0.195 3.790 3.960 0.041 0.000 0.282 516 G HA3 -0.195 3.790 3.960 0.041 0.000 0.282 516 G C 1.015 175.943 174.900 0.046 0.000 1.257 516 G CA 1.364 46.487 45.100 0.038 0.000 0.956 516 G HN 1.520 nan 8.290 nan 0.000 0.560 517 R N 0.071 120.602 120.500 0.051 0.000 2.105 517 R HA 0.082 4.446 4.340 0.041 0.000 0.239 517 R C 3.276 179.627 176.300 0.085 0.000 1.135 517 R CA 2.413 58.548 56.100 0.059 0.000 0.967 517 R CB -0.655 29.684 30.300 0.066 0.000 0.861 517 R HN 0.792 nan 8.270 nan 0.000 0.442 518 A N 0.906 123.786 122.820 0.101 0.000 1.908 518 A HA -0.157 4.187 4.320 0.041 0.000 0.218 518 A C 2.334 179.975 177.584 0.094 0.000 1.181 518 A CA 1.800 53.915 52.037 0.131 0.000 0.627 518 A CB -0.759 18.315 19.000 0.124 0.000 0.818 518 A HN 0.418 nan 8.150 nan 0.000 0.445 519 A N -1.234 121.626 122.820 0.067 0.000 1.930 519 A HA -0.050 4.294 4.320 0.041 0.000 0.217 519 A C 2.270 179.890 177.584 0.059 0.000 1.175 519 A CA 2.158 54.225 52.037 0.049 0.000 0.627 519 A CB -1.154 17.868 19.000 0.037 0.000 0.815 519 A HN 0.423 nan 8.150 nan 0.000 0.443 520 T N -0.784 113.812 114.554 0.071 0.000 2.788 520 T HA -0.174 4.200 4.350 0.041 0.000 0.268 520 T C 1.894 176.647 174.700 0.089 0.000 1.044 520 T CA 1.517 63.681 62.100 0.107 0.000 1.139 520 T CB -0.638 68.247 68.868 0.028 0.000 0.867 520 T HN 0.585 nan 8.240 nan 0.000 0.454 521 C N 1.293 120.612 119.300 0.031 0.000 2.432 521 C HA 0.024 4.508 4.460 0.041 0.000 0.277 521 C C 3.117 178.079 174.990 -0.047 0.000 1.249 521 C CA 0.604 59.584 59.018 -0.063 0.000 1.725 521 C CB -1.488 26.207 27.740 -0.075 0.000 2.028 521 C HN 0.714 nan 8.230 nan 0.000 0.477 522 G N 0.125 108.954 108.800 0.048 0.000 2.440 522 G HA2 -0.283 3.702 3.960 0.041 0.000 0.218 522 G HA3 -0.283 3.702 3.960 0.041 0.000 0.218 522 G C 1.625 176.561 174.900 0.060 0.000 1.154 522 G CA 1.233 46.411 45.100 0.130 0.000 0.767 522 G HN 0.665 nan 8.290 nan 0.000 0.552 523 K N -0.829 119.567 120.400 -0.007 0.000 2.001 523 K HA -0.079 4.265 4.320 0.041 0.000 0.208 523 K C 2.227 178.663 176.600 -0.273 0.000 1.048 523 K CA 1.181 57.393 56.287 -0.126 0.000 0.932 523 K CB -0.301 32.122 32.500 -0.127 0.000 0.715 523 K HN 0.380 nan 8.250 nan 0.000 0.437 524 Y N 0.912 121.019 120.300 -0.321 0.000 2.231 524 Y HA -0.015 4.559 4.550 0.041 0.000 0.294 524 Y C 2.078 177.631 175.900 -0.578 0.000 1.120 524 Y CA 0.921 58.641 58.100 -0.633 0.000 1.141 524 Y CB -0.145 37.678 38.460 -1.062 0.000 1.022 524 Y HN -0.041 nan 8.280 nan 0.000 0.523 525 L N -1.803 119.233 121.223 -0.312 0.000 2.141 525 L HA -0.153 4.211 4.340 0.041 0.000 0.209 525 L C 0.842 177.451 176.870 -0.435 0.000 1.094 525 L CA 1.271 55.897 54.840 -0.357 0.000 0.763 525 L CB -0.364 41.273 42.059 -0.704 0.000 0.908 525 L HN 0.173 nan 8.230 nan 0.000 0.437 526 F N -1.408 118.480 119.950 -0.104 0.000 2.668 526 F HA 0.163 4.713 4.527 0.038 0.000 0.301 526 F C 1.650 177.133 175.800 -0.528 0.000 1.106 526 F CA -0.392 57.358 58.000 -0.417 0.000 1.289 526 F CB -0.528 38.235 39.000 -0.395 0.000 1.006 526 F HN -0.052 nan 8.300 nan 0.000 0.535 527 N N 0.954 119.575 118.700 -0.132 0.000 2.364 527 N HA -0.193 4.571 4.740 0.041 0.000 0.183 527 N C 1.978 177.458 175.510 -0.050 0.000 1.022 527 N CA 1.562 54.548 53.050 -0.106 0.000 0.883 527 N CB -0.180 38.260 38.487 -0.080 0.000 0.965 527 N HN 0.522 nan 8.380 nan 0.000 0.438 528 W N -0.504 120.837 121.300 0.069 0.000 2.402 528 W HA 0.137 4.821 4.660 0.039 0.000 0.286 528 W C 1.495 178.062 176.519 0.080 0.000 1.221 528 W CA 0.710 58.102 57.345 0.078 0.000 1.257 528 W CB -0.938 28.582 29.460 0.100 0.000 1.120 528 W HN 0.046 nan 8.180 nan 0.000 0.551 529 A N 1.705 124.052 122.820 -0.788 0.000 2.014 529 A HA 0.088 4.433 4.320 0.041 0.000 0.218 529 A C 1.290 178.703 177.584 -0.285 0.000 1.163 529 A CA 1.401 52.995 52.037 -0.738 0.000 0.652 529 A CB -1.038 17.237 19.000 -1.207 0.000 0.808 529 A HN 0.146 nan 8.150 nan 0.000 0.449 530 V N -2.770 117.012 119.914 -0.218 0.000 2.743 530 V HA 0.438 4.583 4.120 0.041 0.000 0.301 530 V C 1.004 177.058 176.094 -0.066 0.000 1.057 530 V CA -0.230 61.993 62.300 -0.127 0.000 1.006 530 V CB 1.481 33.230 31.823 -0.124 0.000 1.024 530 V HN 0.362 nan 8.190 nan 0.000 0.473 531 K N 1.509 121.880 120.400 -0.048 0.000 2.103 531 K HA 0.037 4.382 4.320 0.041 0.000 0.204 531 K C 0.890 177.470 176.600 -0.035 0.000 1.052 531 K CA 1.167 57.436 56.287 -0.029 0.000 0.945 531 K CB -0.036 32.453 32.500 -0.020 0.000 0.722 531 K HN 0.854 nan 8.250 nan 0.000 0.443 532 T N 2.516 117.044 114.554 -0.043 0.000 2.997 532 T HA 0.180 4.554 4.350 0.041 0.000 0.311 532 T C -0.677 173.991 174.700 -0.054 0.000 1.079 532 T CA -0.392 61.682 62.100 -0.043 0.000 0.982 532 T CB 0.790 69.634 68.868 -0.041 0.000 1.032 532 T HN -0.002 nan 8.240 nan 0.000 0.581 533 K N 2.379 122.749 120.400 -0.050 0.000 2.414 533 K HA 0.318 4.663 4.320 0.041 0.000 0.272 533 K C -0.150 176.408 176.600 -0.069 0.000 0.993 533 K CA -0.270 55.982 56.287 -0.057 0.000 0.964 533 K CB 0.194 32.668 32.500 -0.043 0.000 0.925 533 K HN 0.272 nan 8.250 nan 0.000 0.487 534 L N 2.149 123.314 121.223 -0.096 0.000 2.352 534 L HA 0.364 4.728 4.340 0.041 0.000 0.269 534 L C -0.293 176.502 176.870 -0.125 0.000 1.034 534 L CA -0.598 54.173 54.840 -0.115 0.000 0.806 534 L CB 1.263 43.228 42.059 -0.157 0.000 1.244 534 L HN 0.333 nan 8.230 nan 0.000 0.447 535 K N 1.717 122.051 120.400 -0.109 0.000 2.310 535 K HA 0.380 4.724 4.320 0.041 0.000 0.290 535 K C -1.132 175.383 176.600 -0.141 0.000 1.077 535 K CA -0.122 56.112 56.287 -0.088 0.000 0.922 535 K CB 0.030 32.501 32.500 -0.048 0.000 1.057 535 K HN 0.218 nan 8.250 nan 0.000 0.479 536 L N 4.044 125.181 121.223 -0.144 0.000 2.261 536 L HA 0.309 4.673 4.340 0.041 0.000 0.289 536 L C 0.427 177.339 176.870 0.069 0.000 1.059 536 L CA 0.085 54.805 54.840 -0.199 0.000 0.816 536 L CB 0.507 42.447 42.059 -0.198 0.000 1.191 536 L HN 0.733 nan 8.230 nan 0.000 0.431 537 T N 1.627 116.277 114.554 0.160 0.000 2.948 537 T HA 0.713 5.087 4.350 0.041 0.000 0.285 537 T C -2.619 172.229 174.700 0.245 0.000 1.019 537 T CA -2.406 59.799 62.100 0.175 0.000 1.013 537 T CB 1.402 70.336 68.868 0.109 0.000 1.117 537 T HN 0.198 nan 8.240 nan 0.000 0.533 538 P HA 0.201 nan 4.420 nan 0.000 0.264 538 P C -0.573 176.753 177.300 0.043 0.000 1.183 538 P CA -0.031 63.126 63.100 0.095 0.000 0.763 538 P CB 0.114 31.849 31.700 0.058 0.000 0.807 539 I N 6.452 126.997 120.570 -0.042 0.000 2.322 539 I HA 0.087 4.281 4.170 0.041 0.000 0.292 539 I C -1.218 174.865 176.117 -0.058 0.000 1.060 539 I CA -1.842 59.392 61.300 -0.111 0.000 1.309 539 I CB 1.110 38.958 38.000 -0.255 0.000 1.415 539 I HN 0.323 nan 8.210 nan 0.000 0.492 540 P HA -0.280 nan 4.420 nan 0.000 0.216 540 P C 1.463 178.744 177.300 -0.032 0.000 1.167 540 P CA 1.474 64.561 63.100 -0.022 0.000 0.914 540 P CB 0.237 31.930 31.700 -0.011 0.000 0.793 541 A N -0.657 122.139 122.820 -0.039 0.000 2.178 541 A HA -0.080 4.264 4.320 0.041 0.000 0.218 541 A C 2.218 179.770 177.584 -0.053 0.000 1.157 541 A CA 1.662 53.675 52.037 -0.040 0.000 0.689 541 A CB -1.459 17.520 19.000 -0.036 0.000 0.787 541 A HN 0.207 nan 8.150 nan 0.000 0.465 542 A N 0.691 123.474 122.820 -0.062 0.000 1.917 542 A HA -0.182 4.163 4.320 0.041 0.000 0.219 542 A C 2.450 179.986 177.584 -0.079 0.000 1.182 542 A CA 2.339 54.332 52.037 -0.073 0.000 0.633 542 A CB -1.060 17.901 19.000 -0.064 0.000 0.819 542 A HN 1.125 nan 8.150 nan 0.000 0.448 543 S N -0.735 114.928 115.700 -0.062 0.000 2.507 543 S HA -0.163 4.331 4.470 0.041 0.000 0.235 543 S C 1.660 176.222 174.600 -0.064 0.000 0.988 543 S CA 1.217 59.381 58.200 -0.061 0.000 0.944 543 S CB -0.394 62.781 63.200 -0.042 0.000 0.762 543 S HN 0.706 nan 8.310 nan 0.000 0.526 544 Q N 0.410 120.174 119.800 -0.060 0.000 2.311 544 Q HA 0.251 4.615 4.340 0.041 0.000 0.203 544 Q C 0.114 176.071 176.000 -0.071 0.000 0.954 544 Q CA 0.273 56.044 55.803 -0.053 0.000 0.885 544 Q CB -0.231 28.484 28.738 -0.039 0.000 0.963 544 Q HN 0.572 nan 8.270 nan 0.000 0.471 545 L N 1.879 123.039 121.223 -0.105 0.000 2.455 545 L HA 0.040 4.405 4.340 0.041 0.000 0.272 545 L C 0.257 177.020 176.870 -0.177 0.000 1.174 545 L CA -0.225 54.525 54.840 -0.151 0.000 0.869 545 L CB 0.280 42.202 42.059 -0.228 0.000 1.130 545 L HN 0.021 nan 8.230 nan 0.000 0.474 546 D N 4.316 124.624 120.400 -0.152 0.000 2.468 546 D HA 0.154 4.818 4.640 0.041 0.000 0.218 546 D C -0.048 176.107 176.300 -0.242 0.000 1.155 546 D CA -0.332 53.589 54.000 -0.133 0.000 0.924 546 D CB 1.042 41.816 40.800 -0.043 0.000 1.029 546 D HN 0.232 nan 8.370 nan 0.000 0.515 547 L N 3.058 124.056 121.223 -0.375 0.000 2.872 547 L HA 0.062 4.426 4.340 0.041 0.000 0.245 547 L C 2.217 178.947 176.870 -0.233 0.000 1.211 547 L CA 0.115 54.562 54.840 -0.654 0.000 1.013 547 L CB -0.392 41.149 42.059 -0.864 0.000 1.326 547 L HN 0.292 nan 8.230 nan 0.000 0.525 548 S N -1.629 114.016 115.700 -0.092 0.000 2.419 548 S HA -0.042 4.453 4.470 0.041 0.000 0.233 548 S C 1.628 176.262 174.600 0.056 0.000 1.016 548 S CA 1.006 59.201 58.200 -0.007 0.000 0.974 548 S CB -0.224 62.975 63.200 -0.000 0.000 0.786 548 S HN 0.400 nan 8.310 nan 0.000 0.492 549 G N -1.203 107.655 108.800 0.096 0.000 3.324 549 G HA2 0.284 4.268 3.960 0.041 0.000 0.251 549 G HA3 0.284 4.268 3.960 0.041 0.000 0.251 549 G C 0.529 175.516 174.900 0.145 0.000 1.072 549 G CA -0.425 44.738 45.100 0.106 0.000 0.787 549 G HN 0.405 nan 8.290 nan 0.000 0.537 550 W N 0.833 121.979 121.300 -0.257 0.000 2.379 550 W HA 0.232 4.916 4.660 0.040 0.000 0.307 550 W C 0.424 176.483 176.519 -0.768 0.000 1.200 550 W CA 0.610 57.573 57.345 -0.637 0.000 1.297 550 W CB -0.248 28.645 29.460 -0.944 0.000 1.140 550 W HN 0.105 nan 8.180 nan 0.000 0.507 551 F N -0.577 119.515 119.950 0.238 0.000 2.449 551 F HA 0.317 4.869 4.527 0.041 0.000 0.329 551 F C 0.515 176.428 175.800 0.189 0.000 1.245 551 F CA -0.487 57.660 58.000 0.244 0.000 1.193 551 F CB -0.011 39.099 39.000 0.184 0.000 1.425 551 F HN -0.392 nan 8.300 nan 0.000 0.544 552 V N -0.044 120.037 119.914 0.279 0.000 2.996 552 V HA 0.597 4.742 4.120 0.041 0.000 0.235 552 V C 0.853 177.045 176.094 0.164 0.000 1.205 552 V CA 0.586 62.996 62.300 0.182 0.000 1.225 552 V CB 0.477 32.389 31.823 0.148 0.000 0.995 552 V HN 0.426 nan 8.190 nan 0.000 0.484 553 A N -0.549 122.309 122.820 0.064 0.000 2.593 553 A HA 0.807 5.151 4.320 0.041 0.000 0.290 553 A C -0.245 176.936 177.584 -0.671 0.000 1.126 553 A CA 0.061 51.986 52.037 -0.188 0.000 0.695 553 A CB 1.210 19.973 19.000 -0.395 0.000 1.290 553 A HN 0.392 nan 8.150 nan 0.000 0.414 554 G N -1.329 106.813 108.800 -1.096 0.000 2.367 554 G HA2 0.539 4.523 3.960 0.041 0.000 0.314 554 G HA3 0.539 4.523 3.960 0.041 0.000 0.314 554 G C -0.907 173.357 174.900 -1.059 0.000 1.130 554 G CA -0.066 44.062 45.100 -1.620 0.000 0.864 554 G HN 0.580 nan 8.290 nan 0.000 0.486 555 Y N 0.718 120.827 120.300 -0.319 0.000 2.779 555 Y HA 0.292 4.867 4.550 0.042 0.000 0.251 555 Y C 1.386 177.235 175.900 -0.086 0.000 1.145 555 Y CA -0.899 57.121 58.100 -0.133 0.000 1.201 555 Y CB 0.437 38.873 38.460 -0.040 0.000 1.281 555 Y HN 0.505 nan 8.280 nan 0.000 0.563 556 S N 0.908 116.602 115.700 -0.011 0.000 2.673 556 S HA 0.270 4.765 4.470 0.041 0.000 0.308 556 S C 1.476 176.112 174.600 0.059 0.000 1.246 556 S CA 1.584 59.805 58.200 0.035 0.000 1.077 556 S CB -0.185 63.032 63.200 0.029 0.000 0.814 556 S HN 1.062 nan 8.310 nan 0.000 0.503 557 G N 3.624 112.461 108.800 0.061 0.000 2.184 557 G HA2 -0.237 3.747 3.960 0.041 0.000 0.264 557 G HA3 -0.237 3.747 3.960 0.041 0.000 0.264 557 G C 0.863 175.808 174.900 0.075 0.000 0.975 557 G CA 0.402 45.540 45.100 0.063 0.000 0.642 557 G HN 1.347 nan 8.290 nan 0.000 0.536 558 G N -0.026 108.830 108.800 0.093 0.000 2.920 558 G HA2 0.345 4.330 3.960 0.041 0.000 0.208 558 G HA3 0.345 4.330 3.960 0.041 0.000 0.208 558 G C 0.567 175.507 174.900 0.067 0.000 1.159 558 G CA 1.172 46.342 45.100 0.116 0.000 0.784 558 G HN 1.312 nan 8.290 nan 0.000 0.535 559 D N -0.620 119.793 120.400 0.021 0.000 2.699 559 D HA -0.167 4.497 4.640 0.041 0.000 0.239 559 D C -0.052 176.214 176.300 -0.057 0.000 1.136 559 D CA 0.337 54.324 54.000 -0.020 0.000 0.668 559 D CB -1.222 39.577 40.800 -0.001 0.000 1.060 559 D HN 0.123 nan 8.370 nan 0.000 0.429 560 I N 1.240 121.755 120.570 -0.092 0.000 2.412 560 I HA 0.411 4.606 4.170 0.041 0.000 0.296 560 I C 0.109 176.097 176.117 -0.215 0.000 0.987 560 I CA -0.714 60.459 61.300 -0.212 0.000 1.180 560 I CB 1.190 38.975 38.000 -0.358 0.000 1.340 560 I HN 0.134 nan 8.210 nan 0.000 0.455 561 Y N 5.715 125.737 120.300 -0.463 0.000 2.512 561 Y HA 0.595 5.168 4.550 0.039 0.000 0.348 561 Y C -1.262 174.226 175.900 -0.687 0.000 0.990 561 Y CA -0.525 57.294 58.100 -0.468 0.000 1.033 561 Y CB 1.743 40.014 38.460 -0.314 0.000 1.259 561 Y HN 0.644 nan 8.280 nan 0.000 0.461 562 H N 1.096 119.354 119.070 -1.354 0.000 3.012 562 H HA 0.535 5.115 4.556 0.040 0.000 0.367 562 H C -1.471 173.217 175.328 -1.067 0.000 1.211 562 H CA -0.904 54.544 56.048 -0.999 0.000 1.139 562 H CB 2.179 31.505 29.762 -0.727 0.000 1.838 562 H HN 0.484 nan 8.280 nan 0.000 0.550 563 S N 2.335 117.822 115.700 -0.355 0.000 2.596 563 S HA 0.208 4.703 4.470 0.041 0.000 0.318 563 S C -0.706 173.927 174.600 0.055 0.000 1.097 563 S CA -0.806 57.302 58.200 -0.154 0.000 1.080 563 S CB 0.427 63.610 63.200 -0.028 0.000 0.991 563 S HN 0.578 nan 8.310 nan 0.000 0.471 564 L N 6.274 127.584 121.223 0.145 0.000 2.737 564 L HA 0.172 4.537 4.340 0.041 0.000 0.275 564 L C 0.185 177.130 176.870 0.124 0.000 1.179 564 L CA 0.977 55.954 54.840 0.227 0.000 0.970 564 L CB -0.642 41.585 42.059 0.280 0.000 1.268 564 L HN 0.854 nan 8.230 nan 0.000 0.485 565 S N 5.522 121.282 115.700 0.101 0.000 2.704 565 S HA 0.766 5.260 4.470 0.041 0.000 0.305 565 S C -0.177 174.438 174.600 0.024 0.000 1.107 565 S CA -0.940 57.294 58.200 0.056 0.000 0.993 565 S CB 2.715 65.945 63.200 0.050 0.000 1.110 565 S HN 0.754 nan 8.310 nan 0.000 0.534 566 R N 0.000 120.508 120.500 0.013 0.000 2.786 566 R HA 0.000 4.364 4.340 0.041 0.000 0.208 566 R CA 0.000 56.097 56.100 -0.006 0.000 0.921 566 R CB 0.000 30.299 30.300 -0.001 0.000 0.687 566 R HN 0.000 nan 8.270 nan 0.000 0.535