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 2jc0_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSASLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGVQ 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 AASQLDLSSW DATA SEQUENCE FVAGYSGGDI YH 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 0.000 174.575 174.600 -0.042 0.000 1.055 1 S CA 0.000 58.182 58.200 -0.029 0.000 1.107 1 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 2 M N 3.553 123.115 119.600 -0.063 0.000 2.233 2 M HA 0.343 4.823 4.480 -0.001 0.000 0.355 2 M C 1.791 177.977 176.300 -0.190 0.000 1.191 2 M CA -0.370 54.879 55.300 -0.086 0.000 1.101 2 M CB 1.160 33.730 32.600 -0.051 0.000 1.592 2 M HN 1.041 nan 8.290 nan 0.000 0.461 3 S N 2.362 117.884 115.700 -0.297 0.000 2.399 3 S HA -0.080 4.389 4.470 -0.001 0.000 0.231 3 S C 0.101 174.247 174.600 -0.756 0.000 1.022 3 S CA 1.025 58.920 58.200 -0.507 0.000 0.983 3 S CB -0.193 62.631 63.200 -0.626 0.000 0.803 3 S HN 0.652 nan 8.310 nan 0.000 0.480 4 Y N 0.512 120.626 120.300 -0.310 0.000 2.597 4 Y HA 0.567 5.116 4.550 -0.001 0.000 0.340 4 Y C -0.083 175.467 175.900 -0.582 0.000 1.097 4 Y CA -0.863 56.915 58.100 -0.536 0.000 1.037 4 Y CB 1.943 39.894 38.460 -0.847 0.000 1.305 4 Y HN 0.139 nan 8.280 nan 0.000 0.463 5 T N -2.352 111.906 114.554 -0.495 0.000 2.900 5 T HA 0.711 5.060 4.350 -0.001 0.000 0.295 5 T C -1.408 172.977 174.700 -0.525 0.000 1.044 5 T CA -0.793 61.065 62.100 -0.402 0.000 0.995 5 T CB 1.187 69.975 68.868 -0.133 0.000 1.072 5 T HN 0.548 nan 8.240 nan 0.000 0.473 6 W N 0.810 122.161 121.300 0.085 0.000 2.781 6 W HA 0.500 5.160 4.660 -0.001 0.000 0.345 6 W C 1.409 177.954 176.519 0.043 0.000 1.085 6 W CA -0.723 56.656 57.345 0.056 0.000 1.198 6 W CB 2.105 31.581 29.460 0.026 0.000 1.423 6 W HN 0.897 nan 8.180 nan 0.000 0.532 7 T N -2.601 112.134 114.554 0.302 0.000 3.037 7 T HA 0.301 4.651 4.350 -0.001 0.000 0.252 7 T C 1.472 176.258 174.700 0.143 0.000 1.073 7 T CA 0.746 62.949 62.100 0.172 0.000 1.091 7 T CB 0.053 68.999 68.868 0.129 0.000 0.935 7 T HN 1.236 nan 8.240 nan 0.000 0.488 8 G N 1.468 110.362 108.800 0.157 0.000 2.194 8 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.236 8 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.236 8 G C 0.388 175.312 174.900 0.039 0.000 0.987 8 G CA -0.100 45.042 45.100 0.070 0.000 0.635 8 G HN 1.174 nan 8.290 nan 0.000 0.520 9 A N 0.709 123.565 122.820 0.061 0.000 2.498 9 A HA 0.590 4.909 4.320 -0.001 0.000 0.239 9 A C 0.850 178.440 177.584 0.009 0.000 1.068 9 A CA 0.307 52.366 52.037 0.037 0.000 0.766 9 A CB 0.184 19.215 19.000 0.051 0.000 1.003 9 A HN 0.905 nan 8.150 nan 0.000 0.497 10 L N 2.005 123.220 121.223 -0.013 0.000 2.418 10 L HA 0.286 4.625 4.340 -0.001 0.000 0.265 10 L C 0.111 176.959 176.870 -0.038 0.000 1.143 10 L CA -0.330 54.483 54.840 -0.045 0.000 0.809 10 L CB 0.743 42.780 42.059 -0.036 0.000 1.124 10 L HN 0.560 nan 8.230 nan 0.000 0.456 11 I N 1.781 122.309 120.570 -0.069 0.000 2.379 11 I HA 0.079 4.248 4.170 -0.001 0.000 0.290 11 I C 0.501 176.604 176.117 -0.024 0.000 1.063 11 I CA 0.001 61.274 61.300 -0.045 0.000 1.351 11 I CB 0.798 38.753 38.000 -0.075 0.000 1.410 11 I HN 0.653 nan 8.210 nan 0.000 0.505 12 T N 4.903 119.454 114.554 -0.005 0.000 2.925 12 T HA 0.586 4.936 4.350 -0.001 0.000 0.285 12 T C -2.458 172.252 174.700 0.015 0.000 1.021 12 T CA -2.057 60.045 62.100 0.002 0.000 1.042 12 T CB 1.785 70.655 68.868 0.003 0.000 1.037 12 T HN 0.253 nan 8.240 nan 0.000 0.481 13 P HA 0.291 nan 4.420 nan 0.000 0.276 13 P C 0.447 177.765 177.300 0.030 0.000 1.252 13 P CA -0.733 62.385 63.100 0.029 0.000 0.802 13 P CB 0.573 32.291 31.700 0.030 0.000 1.035 14 C N -1.091 118.230 119.300 0.037 0.000 3.115 14 C HA 0.865 5.324 4.460 -0.001 0.000 0.277 14 C C 0.336 175.343 174.990 0.029 0.000 1.460 14 C CA -0.336 58.701 59.018 0.032 0.000 1.789 14 C CB -1.081 26.685 27.740 0.043 0.000 2.674 14 C HN 0.718 nan 8.230 nan 0.000 0.582 15 A N 0.235 123.074 122.820 0.032 0.000 2.544 15 A HA 0.787 5.107 4.320 -0.001 0.000 0.291 15 A C -0.393 177.215 177.584 0.039 0.000 1.055 15 A CA 0.059 52.116 52.037 0.033 0.000 0.651 15 A CB -0.372 18.649 19.000 0.035 0.000 1.296 15 A HN 1.672 nan 8.150 nan 0.000 0.431 16 A N 0.309 123.155 122.820 0.043 0.000 2.546 16 A HA 0.480 4.800 4.320 -0.001 0.000 0.243 16 A C 0.084 177.709 177.584 0.068 0.000 1.063 16 A CA 0.718 52.786 52.037 0.052 0.000 0.757 16 A CB -0.356 18.675 19.000 0.052 0.000 0.991 16 A HN 0.598 nan 8.150 nan 0.000 0.503 17 E N 1.734 121.978 120.200 0.074 0.000 2.176 17 E HA 0.331 4.680 4.350 -0.001 0.000 0.267 17 E C -0.906 175.772 176.600 0.130 0.000 0.893 17 E CA -0.377 56.080 56.400 0.095 0.000 0.761 17 E CB 1.612 31.357 29.700 0.075 0.000 1.133 17 E HN 0.760 nan 8.360 nan 0.000 0.409 18 E N 1.001 121.322 120.200 0.201 0.000 2.191 18 E HA 0.152 4.501 4.350 -0.001 0.000 0.278 18 E C 0.209 177.023 176.600 0.356 0.000 0.972 18 E CA -0.229 56.333 56.400 0.271 0.000 0.804 18 E CB 1.484 31.391 29.700 0.344 0.000 1.110 18 E HN 0.528 nan 8.360 nan 0.000 0.394 19 S N 2.408 118.294 115.700 0.311 0.000 2.497 19 S HA 0.036 4.506 4.470 -0.001 0.000 0.218 19 S C 0.643 175.523 174.600 0.466 0.000 1.023 19 S CA -0.092 58.318 58.200 0.350 0.000 0.913 19 S CB 0.228 63.570 63.200 0.236 0.000 0.800 19 S HN 0.325 nan 8.310 nan 0.000 0.505 20 K N 1.533 122.141 120.400 0.347 0.000 2.185 20 K HA 0.411 4.730 4.320 -0.001 0.000 0.269 20 K C -0.615 176.017 176.600 0.053 0.000 0.987 20 K CA -1.023 55.402 56.287 0.231 0.000 0.865 20 K CB 0.887 33.457 32.500 0.116 0.000 1.090 20 K HN 0.179 nan 8.250 nan 0.000 0.450 21 L N 6.974 128.231 121.223 0.057 0.000 2.700 21 L HA 0.060 4.399 4.340 -0.001 0.000 0.276 21 L C -2.324 174.288 176.870 -0.430 0.000 1.200 21 L CA -0.463 54.209 54.840 -0.280 0.000 0.951 21 L CB -0.149 41.907 42.059 -0.004 0.000 1.226 21 L HN 0.562 nan 8.230 nan 0.000 0.489 22 P HA 0.249 nan 4.420 nan 0.000 0.276 22 P C -0.947 176.118 177.300 -0.392 0.000 1.230 22 P CA -0.155 62.652 63.100 -0.490 0.000 0.776 22 P CB 0.695 32.046 31.700 -0.582 0.000 0.888 23 I N 3.193 123.587 120.570 -0.292 0.000 2.474 23 I HA 0.400 4.569 4.170 -0.001 0.000 0.294 23 I C 0.447 176.453 176.117 -0.184 0.000 1.005 23 I CA -0.627 60.506 61.300 -0.279 0.000 1.113 23 I CB 1.532 39.362 38.000 -0.284 0.000 1.289 23 I HN 0.496 nan 8.210 nan 0.000 0.436 24 N N 3.907 122.518 118.700 -0.148 0.000 3.343 24 N HA 0.434 5.174 4.740 -0.001 0.000 0.330 24 N C 0.290 175.761 175.510 -0.066 0.000 1.560 24 N CA -0.449 52.543 53.050 -0.097 0.000 0.752 24 N CB 0.627 39.060 38.487 -0.090 0.000 1.863 24 N HN 0.383 nan 8.380 nan 0.000 0.636 25 A N -0.650 122.142 122.820 -0.046 0.000 2.216 25 A HA 0.139 4.459 4.320 -0.001 0.000 0.214 25 A C 1.586 179.158 177.584 -0.020 0.000 1.160 25 A CA 0.792 52.811 52.037 -0.029 0.000 0.725 25 A CB -0.933 18.052 19.000 -0.026 0.000 0.784 25 A HN 0.537 nan 8.150 nan 0.000 0.472 26 L N -1.575 119.635 121.223 -0.021 0.000 2.556 26 L HA 0.039 4.379 4.340 -0.001 0.000 0.226 26 L C 2.418 179.321 176.870 0.056 0.000 1.089 26 L CA 0.487 55.331 54.840 0.007 0.000 0.864 26 L CB -0.135 41.910 42.059 -0.022 0.000 1.067 26 L HN 0.208 nan 8.230 nan 0.000 0.477 27 S N 0.741 116.450 115.700 0.014 0.000 2.359 27 S HA -0.159 4.310 4.470 -0.001 0.000 0.224 27 S C 1.696 176.358 174.600 0.103 0.000 1.035 27 S CA 1.587 59.799 58.200 0.019 0.000 1.018 27 S CB -0.284 62.843 63.200 -0.122 0.000 0.876 27 S HN 0.453 nan 8.310 nan 0.000 0.448 28 N N 1.442 120.209 118.700 0.113 0.000 2.309 28 N HA -0.043 4.696 4.740 -0.001 0.000 0.182 28 N C 1.912 177.456 175.510 0.057 0.000 1.018 28 N CA 1.220 54.349 53.050 0.132 0.000 0.876 28 N CB -0.511 38.036 38.487 0.099 0.000 0.972 28 N HN 0.578 nan 8.380 nan 0.000 0.434 29 S N -0.146 115.582 115.700 0.046 0.000 2.447 29 S HA -0.046 4.423 4.470 -0.001 0.000 0.233 29 S C 1.784 176.412 174.600 0.047 0.000 1.006 29 S CA 0.439 58.643 58.200 0.006 0.000 0.957 29 S CB -0.149 63.061 63.200 0.017 0.000 0.773 29 S HN 0.218 nan 8.310 nan 0.000 0.507 30 L N 0.021 121.301 121.223 0.095 0.000 2.200 30 L HA 0.586 4.925 4.340 -0.001 0.000 0.200 30 L C 0.219 177.157 176.870 0.114 0.000 1.072 30 L CA 0.997 55.895 54.840 0.097 0.000 0.787 30 L CB 0.032 41.941 42.059 -0.251 0.000 0.957 30 L HN 0.507 nan 8.230 nan 0.000 0.459 31 L N -0.746 120.528 121.223 0.085 0.000 2.516 31 L HA 0.373 4.713 4.340 -0.001 0.000 0.267 31 L C 0.486 177.378 176.870 0.036 0.000 0.957 31 L CA -0.323 54.556 54.840 0.066 0.000 0.860 31 L CB 1.563 43.691 42.059 0.116 0.000 1.265 31 L HN -0.004 nan 8.230 nan 0.000 0.403 32 R N 1.071 121.462 120.500 -0.181 0.000 2.189 32 R HA 0.168 4.507 4.340 -0.001 0.000 0.203 32 R C -0.022 175.989 176.300 -0.483 0.000 1.012 32 R CA 0.390 56.270 56.100 -0.366 0.000 1.015 32 R CB 0.168 30.295 30.300 -0.289 0.000 0.938 32 R HN 0.618 nan 8.270 nan 0.000 0.472 33 H N 0.017 118.964 119.070 -0.205 0.000 2.745 33 H HA 0.104 4.659 4.556 -0.001 0.000 0.235 33 H C 0.313 175.631 175.328 -0.018 0.000 1.815 33 H CA -0.333 55.638 56.048 -0.128 0.000 1.321 33 H CB 0.211 29.956 29.762 -0.028 0.000 1.716 33 H HN 0.318 nan 8.280 nan 0.000 0.546 34 H N 0.570 119.736 119.070 0.159 0.000 2.387 34 H HA -0.117 4.439 4.556 -0.001 0.000 0.299 34 H C 1.437 176.843 175.328 0.130 0.000 1.090 34 H CA 0.558 56.673 56.048 0.113 0.000 1.332 34 H CB 0.374 30.177 29.762 0.067 0.000 1.386 34 H HN 0.449 nan 8.280 nan 0.000 0.516 35 N N 0.146 118.979 118.700 0.221 0.000 2.550 35 N HA -0.041 4.698 4.740 -0.001 0.000 0.186 35 N C 1.154 176.772 175.510 0.179 0.000 1.110 35 N CA 0.685 53.837 53.050 0.170 0.000 0.912 35 N CB 0.090 38.640 38.487 0.104 0.000 0.968 35 N HN 0.452 nan 8.380 nan 0.000 0.448 36 M N -0.377 119.342 119.600 0.199 0.000 2.541 36 M HA 0.089 4.569 4.480 -0.001 0.000 0.252 36 M C -0.104 176.372 176.300 0.294 0.000 1.125 36 M CA 0.300 55.728 55.300 0.213 0.000 1.091 36 M CB 0.663 33.372 32.600 0.181 0.000 1.420 36 M HN -0.238 nan 8.290 nan 0.000 0.486 37 V N 1.082 121.176 119.914 0.301 0.000 2.472 37 V HA 0.335 4.454 4.120 -0.001 0.000 0.290 37 V C -0.741 175.611 176.094 0.431 0.000 1.037 37 V CA -0.684 61.804 62.300 0.313 0.000 0.908 37 V CB 0.730 32.720 31.823 0.278 0.000 0.985 37 V HN 0.323 nan 8.190 nan 0.000 0.454 38 Y N 2.283 122.744 120.300 0.268 0.000 2.625 38 Y HA 0.906 5.456 4.550 -0.001 0.000 0.338 38 Y C -0.462 175.526 175.900 0.146 0.000 1.123 38 Y CA -1.461 56.803 58.100 0.275 0.000 1.046 38 Y CB 1.445 40.022 38.460 0.195 0.000 1.299 38 Y HN 0.709 nan 8.280 nan 0.000 0.464 39 A N 1.446 124.340 122.820 0.124 0.000 2.337 39 A HA 0.680 4.999 4.320 -0.001 0.000 0.329 39 A C 0.010 177.704 177.584 0.184 0.000 1.146 39 A CA -0.329 51.601 52.037 -0.178 0.000 0.800 39 A CB 0.448 19.062 19.000 -0.643 0.000 1.220 39 A HN 1.113 nan 8.150 nan 0.000 0.472 40 T N -0.063 114.587 114.554 0.160 0.000 2.898 40 T HA 0.547 4.896 4.350 -0.001 0.000 0.301 40 T C 0.374 175.136 174.700 0.103 0.000 1.049 40 T CA 0.438 62.666 62.100 0.212 0.000 1.095 40 T CB 0.685 69.693 68.868 0.233 0.000 0.976 40 T HN 1.526 nan 8.240 nan 0.000 0.539 41 T N -2.117 112.496 114.554 0.098 0.000 2.841 41 T HA 0.476 4.825 4.350 -0.001 0.000 0.296 41 T C 1.378 176.106 174.700 0.046 0.000 1.166 41 T CA -0.228 61.911 62.100 0.066 0.000 1.007 41 T CB 1.252 70.165 68.868 0.074 0.000 1.253 41 T HN 0.841 nan 8.240 nan 0.000 0.511 42 S N 0.322 116.042 115.700 0.032 0.000 2.440 42 S HA -0.172 4.297 4.470 -0.001 0.000 0.238 42 S C 1.750 176.349 174.600 -0.002 0.000 1.010 42 S CA 0.727 58.934 58.200 0.012 0.000 0.972 42 S CB -0.760 62.446 63.200 0.010 0.000 0.774 42 S HN 0.737 nan 8.310 nan 0.000 0.501 43 R N 1.461 121.968 120.500 0.010 0.000 2.200 43 R HA -0.031 4.308 4.340 -0.001 0.000 0.234 43 R C 2.111 178.404 176.300 -0.012 0.000 1.127 43 R CA 1.442 57.541 56.100 -0.000 0.000 0.989 43 R CB -0.494 29.814 30.300 0.012 0.000 0.869 43 R HN 0.748 nan 8.270 nan 0.000 0.459 44 S N -0.748 114.950 115.700 -0.005 0.000 2.577 44 S HA 0.249 4.718 4.470 -0.001 0.000 0.219 44 S C 1.747 176.322 174.600 -0.042 0.000 0.962 44 S CA 0.134 58.323 58.200 -0.018 0.000 0.921 44 S CB 0.876 64.078 63.200 0.004 0.000 0.789 44 S HN 0.264 nan 8.310 nan 0.000 0.497 45 A N 2.125 124.911 122.820 -0.057 0.000 1.948 45 A HA 0.026 4.345 4.320 -0.001 0.000 0.220 45 A C 2.592 180.070 177.584 -0.176 0.000 1.177 45 A CA 2.099 54.074 52.037 -0.104 0.000 0.636 45 A CB -1.652 17.281 19.000 -0.111 0.000 0.815 45 A HN 0.806 nan 8.150 nan 0.000 0.449 46 S N -0.076 115.525 115.700 -0.164 0.000 2.370 46 S HA -0.069 4.401 4.470 -0.001 0.000 0.226 46 S C 1.973 176.477 174.600 -0.160 0.000 1.033 46 S CA 1.624 59.707 58.200 -0.195 0.000 1.011 46 S CB -0.518 nan 63.200 nan 0.000 0.852 46 S HN 0.436 nan 8.310 nan 0.000 0.457 47 L N 0.045 121.209 121.223 -0.099 0.000 2.046 47 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 47 L C 2.813 179.650 176.870 -0.055 0.000 1.077 47 L CA 1.387 56.189 54.840 -0.063 0.000 0.747 47 L CB -0.232 41.803 42.059 -0.041 0.000 0.896 47 L HN 0.354 nan 8.230 nan 0.000 0.432 48 R N 0.379 120.840 120.500 -0.065 0.000 2.081 48 R HA -0.167 4.172 4.340 -0.001 0.000 0.235 48 R C 2.226 178.489 176.300 -0.061 0.000 1.131 48 R CA 1.550 57.627 56.100 -0.038 0.000 0.960 48 R CB -0.401 29.883 30.300 -0.026 0.000 0.856 48 R HN 0.359 nan 8.270 nan 0.000 0.436 49 Q N 0.119 119.802 119.800 -0.195 0.000 2.077 49 Q HA -0.218 4.122 4.340 -0.001 0.000 0.206 49 Q C 2.000 177.967 176.000 -0.056 0.000 0.989 49 Q CA 2.286 57.901 55.803 -0.314 0.000 0.853 49 Q CB -0.145 28.097 28.738 -0.826 0.000 0.907 49 Q HN 0.360 nan 8.270 nan 0.000 0.418 50 K N 0.664 121.037 120.400 -0.047 0.000 2.057 50 K HA -0.139 4.181 4.320 -0.001 0.000 0.207 50 K C 2.035 178.721 176.600 0.142 0.000 1.049 50 K CA 1.161 57.485 56.287 0.061 0.000 0.931 50 K CB -0.044 32.470 32.500 0.024 0.000 0.714 50 K HN 0.108 nan 8.250 nan 0.000 0.440 51 K N 0.697 121.169 120.400 0.120 0.000 2.057 51 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 51 K C 1.996 178.793 176.600 0.329 0.000 1.049 51 K CA 1.674 58.072 56.287 0.184 0.000 0.931 51 K CB -0.156 32.420 32.500 0.127 0.000 0.714 51 K HN 0.141 nan 8.250 nan 0.000 0.440 52 V N -1.308 118.770 119.914 0.273 0.000 3.623 52 V HA 0.060 4.180 4.120 -0.001 0.000 0.271 52 V C 0.225 176.430 176.094 0.185 0.000 1.248 52 V CA 0.233 62.714 62.300 0.303 0.000 1.156 52 V CB -0.092 31.882 31.823 0.252 0.000 0.870 52 V HN -0.022 nan 8.190 nan 0.000 0.453 53 T N 4.181 118.900 114.554 0.275 0.000 2.821 53 T HA 0.734 5.083 4.350 -0.001 0.000 0.307 53 T C -0.775 174.055 174.700 0.218 0.000 1.034 53 T CA -0.086 62.155 62.100 0.234 0.000 0.953 53 T CB 0.301 69.435 68.868 0.444 0.000 0.968 53 T HN 0.594 nan 8.240 nan 0.000 0.462 54 F N -0.387 119.660 119.950 0.161 0.000 2.741 54 F HA 0.673 5.199 4.527 -0.001 0.000 0.313 54 F C -0.918 174.915 175.800 0.055 0.000 1.153 54 F CA -1.772 56.284 58.000 0.095 0.000 0.931 54 F CB 0.665 39.712 39.000 0.077 0.000 1.335 54 F HN 0.168 nan 8.300 nan 0.000 0.460 55 D N 0.707 121.290 120.400 0.305 0.000 2.351 55 D HA 0.446 5.085 4.640 -0.001 0.000 0.251 55 D C -0.845 175.606 176.300 0.251 0.000 1.137 55 D CA 0.053 54.163 54.000 0.182 0.000 0.879 55 D CB 0.716 41.587 40.800 0.119 0.000 1.181 55 D HN 0.497 nan 8.370 nan 0.000 0.448 56 R N 2.629 123.213 120.500 0.140 0.000 2.393 56 R HA 0.579 4.918 4.340 -0.001 0.000 0.310 56 R C -0.949 175.385 176.300 0.055 0.000 0.968 56 R CA -0.691 55.486 56.100 0.128 0.000 0.867 56 R CB 0.874 31.224 30.300 0.084 0.000 1.124 56 R HN 0.321 nan 8.270 nan 0.000 0.450 57 L N 1.614 122.863 121.223 0.044 0.000 2.334 57 L HA 0.553 4.892 4.340 -0.001 0.000 0.273 57 L C -0.395 176.474 176.870 -0.002 0.000 1.013 57 L CA -0.326 54.520 54.840 0.011 0.000 0.816 57 L CB 1.791 43.853 42.059 0.004 0.000 1.278 57 L HN 0.537 nan 8.230 nan 0.000 0.431 58 Q N 0.939 120.727 119.800 -0.019 0.000 2.315 58 Q HA 0.757 5.096 4.340 -0.001 0.000 0.273 58 Q C -2.010 173.962 176.000 -0.045 0.000 1.053 58 Q CA -0.492 55.291 55.803 -0.033 0.000 0.817 58 Q CB 2.724 31.431 28.738 -0.052 0.000 1.326 58 Q HN 0.430 nan 8.270 nan 0.000 0.423 59 V N 5.018 124.908 119.914 -0.040 0.000 2.482 59 V HA 0.449 4.568 4.120 -0.001 0.000 0.295 59 V C -0.880 175.205 176.094 -0.014 0.000 1.026 59 V CA -0.540 61.736 62.300 -0.040 0.000 0.856 59 V CB 1.567 33.364 31.823 -0.045 0.000 1.001 59 V HN 0.689 nan 8.190 nan 0.000 0.424 60 L N 5.485 126.670 121.223 -0.064 0.000 2.313 60 L HA 0.691 5.031 4.340 -0.001 0.000 0.283 60 L C -0.373 176.511 176.870 0.024 0.000 1.013 60 L CA -0.538 54.231 54.840 -0.117 0.000 0.816 60 L CB 1.871 43.686 42.059 -0.406 0.000 1.236 60 L HN 0.720 nan 8.230 nan 0.000 0.419 61 D N 0.115 120.611 120.400 0.159 0.000 2.650 61 D HA 0.178 4.817 4.640 -0.001 0.000 0.255 61 D C 0.161 176.543 176.300 0.135 0.000 1.135 61 D CA -0.589 53.486 54.000 0.126 0.000 1.099 61 D CB 0.849 41.723 40.800 0.123 0.000 1.273 61 D HN 0.276 nan 8.370 nan 0.000 0.628 62 D N -1.310 119.106 120.400 0.026 0.000 2.183 62 D HA -0.121 4.519 4.640 -0.001 0.000 0.203 62 D C 1.754 178.077 176.300 0.038 0.000 0.969 62 D CA 0.973 54.969 54.000 -0.007 0.000 0.842 62 D CB -0.123 40.621 40.800 -0.093 0.000 0.957 62 D HN 0.401 nan 8.370 nan 0.000 0.484 63 H N -0.208 118.935 119.070 0.122 0.000 2.352 63 H HA -0.164 4.391 4.556 -0.001 0.000 0.299 63 H C 2.006 177.385 175.328 0.085 0.000 1.097 63 H CA 0.977 57.090 56.048 0.109 0.000 1.311 63 H CB -0.715 29.137 29.762 0.150 0.000 1.377 63 H HN 0.321 nan 8.280 nan 0.000 0.504 64 Y N 1.860 122.215 120.300 0.092 0.000 2.097 64 Y HA -0.228 4.321 4.550 -0.001 0.000 0.282 64 Y C 2.724 178.583 175.900 -0.068 0.000 1.152 64 Y CA 1.691 59.718 58.100 -0.122 0.000 1.136 64 Y CB -0.107 38.187 38.460 -0.277 0.000 0.975 64 Y HN -0.054 nan 8.280 nan 0.000 0.498 65 R N 0.127 120.694 120.500 0.110 0.000 2.120 65 R HA -0.149 4.190 4.340 -0.001 0.000 0.234 65 R C 1.762 178.038 176.300 -0.039 0.000 1.123 65 R CA 1.358 57.465 56.100 0.011 0.000 0.975 65 R CB -0.286 30.064 30.300 0.084 0.000 0.866 65 R HN 0.445 nan 8.270 nan 0.000 0.446 66 D N 0.027 120.429 120.400 0.004 0.000 2.117 66 D HA -0.122 4.517 4.640 -0.001 0.000 0.197 66 D C 1.898 178.183 176.300 -0.024 0.000 0.987 66 D CA 1.119 55.124 54.000 0.010 0.000 0.829 66 D CB -0.084 40.754 40.800 0.064 0.000 0.961 66 D HN 0.019 nan 8.370 nan 0.000 0.460 67 V N 1.076 120.954 119.914 -0.061 0.000 2.453 67 V HA -0.161 3.958 4.120 -0.001 0.000 0.247 67 V C 2.380 178.411 176.094 -0.105 0.000 1.048 67 V CA 0.729 62.986 62.300 -0.072 0.000 1.049 67 V CB -0.304 31.456 31.823 -0.106 0.000 0.672 67 V HN 0.119 nan 8.190 nan 0.000 0.457 68 L N 0.658 121.751 121.223 -0.216 0.000 2.046 68 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 68 L C 2.372 179.176 176.870 -0.109 0.000 1.077 68 L CA 2.164 56.876 54.840 -0.214 0.000 0.747 68 L CB -0.818 41.043 42.059 -0.330 0.000 0.896 68 L HN 0.253 nan 8.230 nan 0.000 0.432 69 K N -0.449 119.905 120.400 -0.076 0.000 2.063 69 K HA -0.216 4.103 4.320 -0.001 0.000 0.208 69 K C 1.934 178.516 176.600 -0.030 0.000 1.048 69 K CA 1.963 58.224 56.287 -0.042 0.000 0.928 69 K CB -0.106 32.380 32.500 -0.023 0.000 0.713 69 K HN 0.522 nan 8.250 nan 0.000 0.442 70 E N 0.078 120.265 120.200 -0.021 0.000 2.077 70 E HA -0.198 4.151 4.350 -0.001 0.000 0.193 70 E C 2.112 178.706 176.600 -0.010 0.000 0.989 70 E CA 1.544 57.942 56.400 -0.004 0.000 0.800 70 E CB -0.098 29.613 29.700 0.018 0.000 0.746 70 E HN 0.358 nan 8.360 nan 0.000 0.452 71 M N 0.670 120.260 119.600 -0.017 0.000 2.117 71 M HA -0.171 4.309 4.480 -0.001 0.000 0.262 71 M C 2.176 178.443 176.300 -0.056 0.000 1.065 71 M CA 1.451 56.728 55.300 -0.038 0.000 1.114 71 M CB -0.138 32.436 32.600 -0.043 0.000 1.361 71 M HN -0.038 nan 8.290 nan 0.000 0.408 72 K N 0.259 120.627 120.400 -0.054 0.000 2.057 72 K HA -0.079 4.241 4.320 -0.001 0.000 0.206 72 K C 2.133 178.714 176.600 -0.032 0.000 1.050 72 K CA 1.374 57.633 56.287 -0.047 0.000 0.935 72 K CB -0.274 32.198 32.500 -0.046 0.000 0.715 72 K HN 0.290 nan 8.250 nan 0.000 0.439 73 A N 2.103 124.907 122.820 -0.025 0.000 1.917 73 A HA -0.234 4.086 4.320 -0.001 0.000 0.219 73 A C 1.912 179.484 177.584 -0.020 0.000 1.182 73 A CA 1.708 53.735 52.037 -0.017 0.000 0.633 73 A CB -0.321 18.673 19.000 -0.010 0.000 0.819 73 A HN 0.224 nan 8.150 nan 0.000 0.448 74 K N -0.551 119.833 120.400 -0.028 0.000 2.103 74 K HA 0.041 4.361 4.320 -0.001 0.000 0.204 74 K C 2.306 178.881 176.600 -0.041 0.000 1.052 74 K CA 0.926 57.192 56.287 -0.036 0.000 0.945 74 K CB -0.302 32.168 32.500 -0.049 0.000 0.722 74 K HN 0.431 nan 8.250 nan 0.000 0.443 75 A N 1.307 124.100 122.820 -0.045 0.000 1.972 75 A HA -0.149 4.170 4.320 -0.001 0.000 0.219 75 A C 2.140 179.714 177.584 -0.018 0.000 1.169 75 A CA 1.715 53.730 52.037 -0.037 0.000 0.635 75 A CB -0.500 18.478 19.000 -0.036 0.000 0.810 75 A HN 0.163 nan 8.150 nan 0.000 0.446 76 S N -0.303 115.388 115.700 -0.015 0.000 2.442 76 S HA -0.126 4.343 4.470 -0.001 0.000 0.236 76 S C 1.974 176.571 174.600 -0.006 0.000 1.007 76 S CA 1.696 59.892 58.200 -0.006 0.000 0.965 76 S CB -0.549 62.647 63.200 -0.007 0.000 0.773 76 S HN 0.914 nan 8.310 nan 0.000 0.504 77 T N -0.695 113.852 114.554 -0.011 0.000 3.113 77 T HA 0.166 4.516 4.350 -0.001 0.000 0.256 77 T C 0.498 175.192 174.700 -0.010 0.000 1.131 77 T CA -0.059 62.035 62.100 -0.010 0.000 1.074 77 T CB -0.311 68.549 68.868 -0.013 0.000 0.944 77 T HN 0.031 nan 8.240 nan 0.000 0.516 78 V N 1.802 121.709 119.914 -0.012 0.000 2.546 78 V HA 0.405 4.524 4.120 -0.001 0.000 0.284 78 V C 0.101 176.195 176.094 -0.000 0.000 1.050 78 V CA -0.847 61.446 62.300 -0.012 0.000 0.981 78 V CB 1.247 33.059 31.823 -0.019 0.000 0.990 78 V HN 0.374 nan 8.190 nan 0.000 0.474 79 K N 3.449 123.850 120.400 0.001 0.000 2.274 79 K HA 0.763 5.082 4.320 -0.001 0.000 0.262 79 K C -0.669 175.937 176.600 0.010 0.000 0.961 79 K CA -0.383 55.909 56.287 0.009 0.000 0.833 79 K CB 1.495 34.001 32.500 0.010 0.000 1.102 79 K HN 0.849 nan 8.250 nan 0.000 0.436 80 A N 4.040 126.872 122.820 0.018 0.000 2.365 80 A HA 0.498 4.817 4.320 -0.001 0.000 0.318 80 A C -1.210 176.395 177.584 0.034 0.000 1.091 80 A CA -0.813 51.237 52.037 0.021 0.000 0.763 80 A CB 1.264 20.274 19.000 0.016 0.000 1.248 80 A HN 0.742 nan 8.150 nan 0.000 0.442 81 K N 0.978 121.402 120.400 0.039 0.000 2.118 81 K HA 0.559 4.878 4.320 -0.001 0.000 0.254 81 K C -0.897 175.735 176.600 0.053 0.000 0.961 81 K CA -0.712 55.600 56.287 0.042 0.000 0.876 81 K CB 0.964 33.485 32.500 0.034 0.000 1.077 81 K HN 0.536 nan 8.250 nan 0.000 0.440 82 L N 3.642 124.892 121.223 0.045 0.000 2.397 82 L HA 0.201 4.540 4.340 -0.001 0.000 0.271 82 L C -0.721 176.140 176.870 -0.015 0.000 1.148 82 L CA -0.055 54.803 54.840 0.029 0.000 0.825 82 L CB 0.541 42.613 42.059 0.021 0.000 1.117 82 L HN 0.507 nan 8.230 nan 0.000 0.456 83 L N 2.789 123.987 121.223 -0.041 0.000 2.395 83 L HA 0.351 4.690 4.340 -0.001 0.000 0.269 83 L C 0.653 177.428 176.870 -0.157 0.000 1.133 83 L CA 0.240 55.034 54.840 -0.077 0.000 0.812 83 L CB 1.132 43.144 42.059 -0.078 0.000 1.125 83 L HN 0.841 nan 8.230 nan 0.000 0.452 84 S N 1.254 116.872 115.700 -0.138 0.000 2.596 84 S HA 0.187 4.656 4.470 -0.001 0.000 0.260 84 S C 1.360 175.835 174.600 -0.208 0.000 1.336 84 S CA -0.676 57.424 58.200 -0.167 0.000 0.993 84 S CB 0.645 63.779 63.200 -0.110 0.000 0.923 84 S HN 0.330 nan 8.310 nan 0.000 0.567 85 V N 1.569 121.344 119.914 -0.233 0.000 2.332 85 V HA -0.186 3.933 4.120 -0.001 0.000 0.248 85 V C 2.632 178.610 176.094 -0.193 0.000 1.055 85 V CA 2.431 64.574 62.300 -0.262 0.000 1.038 85 V CB -1.354 30.258 31.823 -0.352 0.000 0.651 85 V HN 0.842 nan 8.190 nan 0.000 0.450 86 E N 0.242 120.353 120.200 -0.149 0.000 2.038 86 E HA -0.215 4.135 4.350 -0.001 0.000 0.195 86 E C 2.177 178.703 176.600 -0.123 0.000 1.000 86 E CA 1.543 57.871 56.400 -0.120 0.000 0.803 86 E CB -0.378 29.268 29.700 -0.089 0.000 0.750 86 E HN 0.682 nan 8.360 nan 0.000 0.448 87 E N 0.251 120.376 120.200 -0.125 0.000 2.085 87 E HA -0.213 4.136 4.350 -0.001 0.000 0.194 87 E C 2.018 178.508 176.600 -0.183 0.000 0.994 87 E CA 1.154 57.471 56.400 -0.138 0.000 0.801 87 E CB -0.210 29.417 29.700 -0.122 0.000 0.743 87 E HN 0.289 nan 8.360 nan 0.000 0.453 88 A N 0.672 123.381 122.820 -0.184 0.000 1.898 88 A HA -0.186 4.133 4.320 -0.001 0.000 0.216 88 A C 2.428 179.910 177.584 -0.169 0.000 1.181 88 A CA 1.181 53.102 52.037 -0.192 0.000 0.620 88 A CB -0.838 18.064 19.000 -0.163 0.000 0.819 88 A HN 0.377 nan 8.150 nan 0.000 0.442 89 C N -0.199 119.012 119.300 -0.149 0.000 2.413 89 C HA -0.124 4.335 4.460 -0.001 0.000 0.276 89 C C 2.571 177.483 174.990 -0.131 0.000 1.248 89 C CA 1.447 60.387 59.018 -0.129 0.000 1.742 89 C CB -1.135 26.530 27.740 -0.125 0.000 2.017 89 C HN 0.636 nan 8.230 nan 0.000 0.481 90 K N 0.676 120.999 120.400 -0.128 0.000 2.442 90 K HA 0.029 4.348 4.320 -0.001 0.000 0.198 90 K C 1.397 177.944 176.600 -0.088 0.000 1.042 90 K CA 0.749 56.975 56.287 -0.102 0.000 0.958 90 K CB -0.172 32.280 32.500 -0.080 0.000 0.766 90 K HN 0.512 nan 8.250 nan 0.000 0.474 91 L N 1.038 122.162 121.223 -0.165 0.000 2.591 91 L HA 0.016 4.356 4.340 -0.001 0.000 0.228 91 L C 0.242 177.018 176.870 -0.155 0.000 1.133 91 L CA 0.195 54.905 54.840 -0.217 0.000 0.880 91 L CB -0.044 41.766 42.059 -0.415 0.000 1.033 91 L HN 0.029 nan 8.230 nan 0.000 0.450 92 T N 1.766 116.235 114.554 -0.141 0.000 2.794 92 T HA 0.203 4.552 4.350 -0.001 0.000 0.296 92 T C -2.324 172.247 174.700 -0.215 0.000 0.949 92 T CA -1.142 60.870 62.100 -0.145 0.000 1.101 92 T CB 1.033 69.826 68.868 -0.125 0.000 0.905 92 T HN -0.137 nan 8.240 nan 0.000 0.516 93 P HA 0.108 nan 4.420 nan 0.000 0.263 93 P C -1.841 175.225 177.300 -0.390 0.000 1.195 93 P CA -1.236 61.700 63.100 -0.273 0.000 0.762 93 P CB 0.197 31.847 31.700 -0.083 0.000 0.799 94 P HA -0.192 nan 4.420 nan 0.000 0.217 94 P C 0.341 177.310 177.300 -0.553 0.000 1.148 94 P CA 1.748 64.490 63.100 -0.598 0.000 0.834 94 P CB -0.268 30.991 31.700 -0.735 0.000 0.783 95 H N -2.242 116.728 119.070 -0.167 0.000 2.524 95 H HA 0.289 4.845 4.556 -0.001 0.000 0.299 95 H C 0.539 175.801 175.328 -0.111 0.000 1.074 95 H CA -0.355 55.626 56.048 -0.113 0.000 1.115 95 H CB -0.137 29.574 29.762 -0.085 0.000 1.522 95 H HN -0.005 nan 8.280 nan 0.000 0.543 96 S N 1.094 116.752 115.700 -0.070 0.000 2.576 96 S HA 0.427 4.896 4.470 -0.001 0.000 0.276 96 S C 0.653 175.209 174.600 -0.074 0.000 1.339 96 S CA -0.669 57.480 58.200 -0.084 0.000 1.039 96 S CB 0.300 63.442 63.200 -0.097 0.000 0.902 96 S HN 0.514 nan 8.310 nan 0.000 0.516 97 A N 4.485 127.246 122.820 -0.098 0.000 2.524 97 A HA 0.261 4.580 4.320 -0.001 0.000 0.250 97 A C 0.581 178.134 177.584 -0.052 0.000 1.078 97 A CA -0.222 51.777 52.037 -0.064 0.000 0.761 97 A CB -0.278 18.688 19.000 -0.057 0.000 1.012 97 A HN 0.882 nan 8.150 nan 0.000 0.500 98 K N 2.155 122.514 120.400 -0.069 0.000 2.286 98 K HA 0.273 4.592 4.320 -0.001 0.000 0.256 98 K C 0.341 176.821 176.600 -0.200 0.000 0.999 98 K CA 0.088 56.296 56.287 -0.133 0.000 0.908 98 K CB 0.315 32.740 32.500 -0.124 0.000 0.981 98 K HN 0.423 nan 8.250 nan 0.000 0.500 99 S N 0.098 115.556 115.700 -0.403 0.000 2.580 99 S HA 0.064 4.533 4.470 -0.001 0.000 0.274 99 S C 0.655 174.983 174.600 -0.454 0.000 1.329 99 S CA -0.638 57.264 58.200 -0.496 0.000 1.036 99 S CB 0.659 63.219 63.200 -1.067 0.000 0.919 99 S HN 0.661 nan 8.310 nan 0.000 0.515 100 K N 2.447 122.523 120.400 -0.540 0.000 2.519 100 K HA -0.062 4.257 4.320 -0.001 0.000 0.196 100 K C -0.298 175.861 176.600 -0.735 0.000 1.041 100 K CA 1.046 56.919 56.287 -0.691 0.000 0.954 100 K CB -0.201 31.750 32.500 -0.916 0.000 0.774 100 K HN 0.612 nan 8.250 nan 0.000 0.480 101 F N -0.030 119.757 119.950 -0.273 0.000 2.855 101 F HA 0.258 4.785 4.527 -0.001 0.000 0.317 101 F C 1.029 176.673 175.800 -0.260 0.000 1.169 101 F CA -0.459 57.397 58.000 -0.241 0.000 1.299 101 F CB 0.779 39.635 39.000 -0.240 0.000 0.962 101 F HN 0.036 nan 8.300 nan 0.000 0.506 102 G N 0.614 109.347 108.800 -0.113 0.000 2.137 102 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.237 102 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.237 102 G C -0.371 174.583 174.900 0.091 0.000 1.002 102 G CA 0.218 45.318 45.100 -0.000 0.000 0.702 102 G HN 0.578 nan 8.290 nan 0.000 0.515 103 Y N -2.445 117.820 120.300 -0.059 0.000 2.609 103 Y HA 0.778 5.327 4.550 -0.001 0.000 0.336 103 Y C 0.338 176.215 175.900 -0.039 0.000 1.129 103 Y CA -1.052 57.024 58.100 -0.041 0.000 1.040 103 Y CB 0.731 39.170 38.460 -0.035 0.000 1.310 103 Y HN 0.663 nan 8.280 nan 0.000 0.460 104 G N 0.058 108.905 108.800 0.080 0.000 3.108 104 G HA2 0.536 4.495 3.960 -0.001 0.000 0.268 104 G HA3 0.536 4.495 3.960 -0.001 0.000 0.268 104 G C 0.232 175.164 174.900 0.053 0.000 1.361 104 G CA -0.776 44.322 45.100 -0.004 0.000 1.047 104 G HN 1.191 nan 8.290 nan 0.000 0.540 105 A N -0.548 122.257 122.820 -0.025 0.000 1.978 105 A HA -0.023 4.296 4.320 -0.001 0.000 0.220 105 A C 2.131 179.659 177.584 -0.092 0.000 1.170 105 A CA 2.064 54.062 52.037 -0.064 0.000 0.636 105 A CB -0.345 18.582 19.000 -0.120 0.000 0.810 105 A HN 0.538 nan 8.150 nan 0.000 0.448 106 K N -0.430 119.918 120.400 -0.087 0.000 2.228 106 K HA -0.044 4.276 4.320 -0.001 0.000 0.202 106 K C 1.163 177.731 176.600 -0.053 0.000 1.051 106 K CA 1.053 57.281 56.287 -0.098 0.000 0.960 106 K CB 0.000 32.437 32.500 -0.106 0.000 0.743 106 K HN 0.401 nan 8.250 nan 0.000 0.458 107 D N 0.261 120.662 120.400 0.002 0.000 2.149 107 D HA -0.114 4.525 4.640 -0.001 0.000 0.201 107 D C 1.882 178.169 176.300 -0.022 0.000 0.972 107 D CA 0.835 54.844 54.000 0.015 0.000 0.835 107 D CB -0.138 40.718 40.800 0.093 0.000 0.966 107 D HN -0.080 nan 8.370 nan 0.000 0.476 108 V N 1.447 121.362 119.914 0.002 0.000 2.237 108 V HA -0.243 3.876 4.120 -0.001 0.000 0.245 108 V C 2.503 178.548 176.094 -0.082 0.000 1.046 108 V CA 1.660 63.934 62.300 -0.042 0.000 1.007 108 V CB -0.369 31.458 31.823 0.006 0.000 0.638 108 V HN 0.123 nan 8.190 nan 0.000 0.445 109 R N 0.376 120.818 120.500 -0.096 0.000 2.127 109 R HA -0.151 4.188 4.340 -0.001 0.000 0.238 109 R C 1.866 178.107 176.300 -0.097 0.000 1.134 109 R CA 1.549 57.578 56.100 -0.119 0.000 0.975 109 R CB -0.437 29.764 30.300 -0.166 0.000 0.865 109 R HN 0.507 nan 8.270 nan 0.000 0.447 110 N N 0.660 119.311 118.700 -0.082 0.000 2.467 110 N HA 0.043 4.782 4.740 -0.001 0.000 0.184 110 N C 0.274 175.746 175.510 -0.063 0.000 1.106 110 N CA 0.399 53.409 53.050 -0.066 0.000 0.892 110 N CB 0.172 38.627 38.487 -0.054 0.000 0.969 110 N HN 0.149 nan 8.380 nan 0.000 0.454 111 L N 0.261 121.438 121.223 -0.076 0.000 3.730 111 L HA -0.213 4.126 4.340 -0.001 0.000 0.410 111 L C 0.121 176.948 176.870 -0.072 0.000 1.234 111 L CA -0.059 54.731 54.840 -0.083 0.000 0.911 111 L CB -2.807 39.208 42.059 -0.073 0.000 1.942 111 L HN 0.127 nan 8.230 nan 0.000 0.860 112 S N -0.684 114.975 115.700 -0.070 0.000 2.568 112 S HA 0.286 4.756 4.470 -0.001 0.000 0.282 112 S C 1.521 176.083 174.600 -0.063 0.000 1.338 112 S CA -0.021 58.148 58.200 -0.052 0.000 1.045 112 S CB 1.748 64.929 63.200 -0.033 0.000 0.873 112 S HN 0.559 nan 8.310 nan 0.000 0.516 113 S N 2.620 118.298 115.700 -0.037 0.000 2.399 113 S HA -0.212 4.258 4.470 -0.001 0.000 0.231 113 S C 1.702 176.279 174.600 -0.039 0.000 1.022 113 S CA 1.197 59.378 58.200 -0.032 0.000 0.983 113 S CB -0.602 62.588 63.200 -0.016 0.000 0.803 113 S HN 0.879 nan 8.310 nan 0.000 0.480 114 K N 1.610 121.997 120.400 -0.022 0.000 2.057 114 K HA 0.043 4.362 4.320 -0.001 0.000 0.206 114 K C 2.348 178.900 176.600 -0.080 0.000 1.050 114 K CA 1.045 57.349 56.287 0.028 0.000 0.935 114 K CB -0.673 31.887 32.500 0.099 0.000 0.715 114 K HN 0.419 nan 8.250 nan 0.000 0.439 115 A N 0.941 123.576 122.820 -0.308 0.000 1.851 115 A HA -0.139 4.181 4.320 -0.001 0.000 0.216 115 A C 2.270 179.566 177.584 -0.481 0.000 1.195 115 A CA 1.876 53.453 52.037 -0.767 0.000 0.622 115 A CB -0.986 17.726 19.000 -0.479 0.000 0.831 115 A HN 0.165 nan 8.150 nan 0.000 0.444 116 V N 1.182 120.931 119.914 -0.275 0.000 2.278 116 V HA -0.335 3.784 4.120 -0.001 0.000 0.251 116 V C 2.380 178.376 176.094 -0.165 0.000 1.062 116 V CA 2.372 64.529 62.300 -0.238 0.000 1.038 116 V CB -1.051 30.683 31.823 -0.148 0.000 0.646 116 V HN 0.578 nan 8.190 nan 0.000 0.447 117 N N -1.039 117.620 118.700 -0.069 0.000 2.120 117 N HA -0.150 4.590 4.740 -0.001 0.000 0.188 117 N C 1.775 177.230 175.510 -0.092 0.000 1.024 117 N CA 1.375 54.410 53.050 -0.025 0.000 0.852 117 N CB -0.486 37.941 38.487 -0.100 0.000 1.003 117 N HN 0.600 nan 8.380 nan 0.000 0.424 118 H N 0.743 119.744 119.070 -0.115 0.000 2.321 118 H HA 0.009 4.564 4.556 -0.001 0.000 0.300 118 H C 2.282 177.587 175.328 -0.040 0.000 1.087 118 H CA 0.946 56.950 56.048 -0.074 0.000 1.319 118 H CB -0.178 29.561 29.762 -0.039 0.000 1.379 118 H HN 0.171 nan 8.280 nan 0.000 0.501 119 I N 0.301 120.872 120.570 0.002 0.000 2.118 119 I HA -0.331 3.838 4.170 -0.001 0.000 0.241 119 I C 2.388 178.519 176.117 0.022 0.000 1.070 119 I CA 1.541 62.830 61.300 -0.019 0.000 1.327 119 I CB -0.460 37.440 38.000 -0.167 0.000 1.034 119 I HN 0.282 nan 8.210 nan 0.000 0.405 120 H N -0.343 118.744 119.070 0.028 0.000 2.387 120 H HA -0.183 4.372 4.556 -0.001 0.000 0.299 120 H C 2.518 177.905 175.328 0.098 0.000 1.099 120 H CA 1.762 57.844 56.048 0.057 0.000 1.315 120 H CB -0.008 29.749 29.762 -0.008 0.000 1.380 120 H HN 0.415 nan 8.280 nan 0.000 0.513 121 S N -0.103 115.688 115.700 0.151 0.000 2.395 121 S HA -0.088 4.382 4.470 -0.001 0.000 0.225 121 S C 2.247 176.888 174.600 0.069 0.000 1.027 121 S CA 0.889 59.131 58.200 0.071 0.000 0.965 121 S CB -0.507 62.676 63.200 -0.028 0.000 0.812 121 S HN 0.151 nan 8.310 nan 0.000 0.482 122 V N 1.140 121.109 119.914 0.093 0.000 2.295 122 V HA -0.146 3.974 4.120 -0.001 0.000 0.246 122 V C 2.243 178.416 176.094 0.131 0.000 1.049 122 V CA 1.919 64.274 62.300 0.092 0.000 1.024 122 V CB -1.170 30.729 31.823 0.127 0.000 0.648 122 V HN 0.716 nan 8.190 nan 0.000 0.447 123 W N 1.329 122.640 121.300 0.018 0.000 2.318 123 W HA -0.269 4.390 4.660 -0.001 0.000 0.313 123 W C 2.547 179.078 176.519 0.019 0.000 1.221 123 W CA 2.446 59.806 57.345 0.024 0.000 1.266 123 W CB -0.122 29.365 29.460 0.046 0.000 1.150 123 W HN 0.246 nan 8.180 nan 0.000 0.496 124 K N 0.474 120.950 120.400 0.126 0.000 2.026 124 K HA -0.267 4.052 4.320 -0.001 0.000 0.208 124 K C 1.791 178.343 176.600 -0.080 0.000 1.048 124 K CA 2.247 58.544 56.287 0.015 0.000 0.929 124 K CB -0.683 31.858 32.500 0.067 0.000 0.713 124 K HN -0.021 nan 8.250 nan 0.000 0.439 125 D N 0.401 120.769 120.400 -0.054 0.000 2.133 125 D HA -0.186 4.453 4.640 -0.001 0.000 0.195 125 D C 1.961 178.184 176.300 -0.129 0.000 0.997 125 D CA 1.202 55.158 54.000 -0.074 0.000 0.840 125 D CB -0.005 40.767 40.800 -0.048 0.000 0.947 125 D HN 0.209 nan 8.370 nan 0.000 0.452 126 L N -0.175 120.933 121.223 -0.191 0.000 2.042 126 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 126 L C 2.527 179.217 176.870 -0.300 0.000 1.076 126 L CA 0.851 55.527 54.840 -0.274 0.000 0.749 126 L CB -0.454 41.359 42.059 -0.409 0.000 0.893 126 L HN 0.242 nan 8.230 nan 0.000 0.432 127 L N -0.975 120.034 121.223 -0.357 0.000 2.141 127 L HA -0.147 4.193 4.340 -0.001 0.000 0.209 127 L C 2.442 179.223 176.870 -0.150 0.000 1.094 127 L CA 0.928 55.610 54.840 -0.263 0.000 0.763 127 L CB -0.441 41.474 42.059 -0.240 0.000 0.908 127 L HN 0.279 nan 8.230 nan 0.000 0.437 128 E N -0.754 119.372 120.200 -0.123 0.000 2.318 128 E HA -0.017 4.333 4.350 -0.001 0.000 0.193 128 E C 0.019 176.577 176.600 -0.070 0.000 0.998 128 E CA 0.381 56.733 56.400 -0.079 0.000 0.859 128 E CB 0.277 29.941 29.700 -0.060 0.000 0.812 128 E HN 0.255 nan 8.360 nan 0.000 0.492 129 D N 0.360 120.711 120.400 -0.083 0.000 2.575 129 D HA 0.039 4.678 4.640 -0.001 0.000 0.250 129 D C -0.036 176.219 176.300 -0.075 0.000 1.279 129 D CA -0.307 53.654 54.000 -0.065 0.000 0.925 129 D CB 1.220 41.987 40.800 -0.054 0.000 1.261 129 D HN -0.124 nan 8.370 nan 0.000 0.567 130 T N 0.500 115.016 114.554 -0.063 0.000 3.223 130 T HA 0.257 4.607 4.350 -0.001 0.000 0.259 130 T C 0.915 175.589 174.700 -0.044 0.000 1.015 130 T CA -0.068 61.995 62.100 -0.062 0.000 0.908 130 T CB 0.109 68.945 68.868 -0.053 0.000 1.054 130 T HN 0.133 nan 8.240 nan 0.000 0.567 131 V N -0.270 119.621 119.914 -0.037 0.000 3.159 131 V HA 0.193 4.312 4.120 -0.001 0.000 0.234 131 V C 0.987 177.073 176.094 -0.014 0.000 1.313 131 V CA 0.189 62.475 62.300 -0.022 0.000 1.271 131 V CB 0.179 31.991 31.823 -0.018 0.000 1.053 131 V HN 0.451 nan 8.190 nan 0.000 0.476 132 T N 4.192 118.736 114.554 -0.016 0.000 2.799 132 T HA 0.244 4.593 4.350 -0.001 0.000 0.296 132 T C -2.476 172.224 174.700 -0.000 0.000 0.947 132 T CA -0.635 61.463 62.100 -0.003 0.000 1.141 132 T CB 0.850 69.716 68.868 -0.004 0.000 0.891 132 T HN 0.163 nan 8.240 nan 0.000 0.533 133 P HA 0.134 nan 4.420 nan 0.000 0.265 133 P C -0.185 177.115 177.300 -0.001 0.000 1.193 133 P CA -0.113 62.998 63.100 0.018 0.000 0.765 133 P CB 0.319 32.068 31.700 0.081 0.000 0.823 134 I N 2.359 122.912 120.570 -0.027 0.000 2.428 134 I HA 0.113 4.282 4.170 -0.001 0.000 0.289 134 I C 1.048 177.150 176.117 -0.025 0.000 1.019 134 I CA -0.328 60.962 61.300 -0.018 0.000 1.351 134 I CB 0.520 38.502 38.000 -0.030 0.000 1.412 134 I HN 0.333 nan 8.210 nan 0.000 0.513 135 D N 4.242 124.640 120.400 -0.003 0.000 2.400 135 D HA 0.160 4.800 4.640 -0.001 0.000 0.238 135 D C -0.298 175.965 176.300 -0.062 0.000 1.157 135 D CA 0.340 54.324 54.000 -0.027 0.000 0.889 135 D CB 0.765 41.562 40.800 -0.005 0.000 1.199 135 D HN 0.633 nan 8.370 nan 0.000 0.436 136 T N -1.108 113.382 114.554 -0.107 0.000 2.896 136 T HA 0.605 4.955 4.350 -0.001 0.000 0.297 136 T C -0.503 174.053 174.700 -0.241 0.000 1.108 136 T CA -0.983 61.016 62.100 -0.169 0.000 1.004 136 T CB 1.479 70.268 68.868 -0.132 0.000 1.159 136 T HN 0.213 nan 8.240 nan 0.000 0.499 137 T N 2.026 116.300 114.554 -0.467 0.000 2.795 137 T HA 0.593 4.943 4.350 -0.001 0.000 0.282 137 T C -0.396 174.031 174.700 -0.454 0.000 0.980 137 T CA -0.578 61.212 62.100 -0.518 0.000 1.012 137 T CB 0.729 69.084 68.868 -0.857 0.000 0.936 137 T HN 0.715 nan 8.240 nan 0.000 0.457 138 I N 4.195 124.657 120.570 -0.181 0.000 2.377 138 I HA 0.531 4.700 4.170 -0.001 0.000 0.293 138 I C -0.999 175.128 176.117 0.017 0.000 0.987 138 I CA -0.790 60.490 61.300 -0.033 0.000 1.185 138 I CB 0.688 38.723 38.000 0.058 0.000 1.341 138 I HN 0.405 nan 8.210 nan 0.000 0.455 139 M N 6.403 126.064 119.600 0.101 0.000 2.572 139 M HA 0.505 4.985 4.480 -0.001 0.000 0.299 139 M C -0.630 175.731 176.300 0.101 0.000 1.205 139 M CA -0.632 54.742 55.300 0.124 0.000 0.876 139 M CB 1.785 34.524 32.600 0.232 0.000 1.728 139 M HN 0.586 nan 8.290 nan 0.000 0.458 140 A N 2.385 125.245 122.820 0.067 0.000 2.289 140 A HA 0.527 4.846 4.320 -0.001 0.000 0.298 140 A C -0.106 177.514 177.584 0.059 0.000 1.208 140 A CA -0.530 51.539 52.037 0.054 0.000 0.845 140 A CB 0.309 19.327 19.000 0.029 0.000 1.125 140 A HN 0.740 nan 8.150 nan 0.000 0.517 141 K N 2.119 122.557 120.400 0.063 0.000 2.270 141 K HA 0.115 4.435 4.320 -0.001 0.000 0.276 141 K C -0.658 175.953 176.600 0.017 0.000 1.023 141 K CA -0.012 56.299 56.287 0.040 0.000 0.955 141 K CB 0.645 33.173 32.500 0.046 0.000 0.975 141 K HN 0.758 nan 8.250 nan 0.000 0.471 142 N N 2.792 121.475 118.700 -0.029 0.000 2.469 142 N HA 0.079 4.818 4.740 -0.001 0.000 0.239 142 N C -1.120 174.276 175.510 -0.190 0.000 1.053 142 N CA -0.195 52.802 53.050 -0.088 0.000 0.937 142 N CB 0.786 39.216 38.487 -0.095 0.000 1.163 142 N HN 0.378 nan 8.380 nan 0.000 0.509 143 E N 0.917 120.997 120.200 -0.201 0.000 2.256 143 E HA 0.411 4.760 4.350 -0.001 0.000 0.267 143 E C -0.853 175.366 176.600 -0.635 0.000 0.892 143 E CA -0.965 55.190 56.400 -0.408 0.000 0.775 143 E CB 2.412 31.905 29.700 -0.344 0.000 1.207 143 E HN 0.106 nan 8.360 nan 0.000 0.420 144 V N 3.460 122.856 119.914 -0.864 0.000 2.439 144 V HA 0.432 4.551 4.120 -0.001 0.000 0.282 144 V C -0.733 174.753 176.094 -1.015 0.000 1.039 144 V CA -0.147 61.661 62.300 -0.821 0.000 0.913 144 V CB 0.044 31.488 31.823 -0.632 0.000 0.983 144 V HN 0.506 nan 8.190 nan 0.000 0.460 145 F N 2.263 121.853 119.950 -0.600 0.000 2.650 145 F HA 0.571 5.097 4.527 -0.001 0.000 0.320 145 F C 0.118 175.721 175.800 -0.328 0.000 1.091 145 F CA -0.763 56.960 58.000 -0.462 0.000 0.962 145 F CB 1.318 40.017 39.000 -0.501 0.000 1.363 145 F HN 0.510 nan 8.300 nan 0.000 0.482 146 C N 2.933 122.321 119.300 0.147 0.000 2.401 146 C HA 0.753 5.213 4.460 -0.001 0.000 0.365 146 C C 0.247 175.443 174.990 0.345 0.000 1.250 146 C CA -0.714 58.431 59.018 0.212 0.000 2.131 146 C CB -0.178 27.646 27.740 0.140 0.000 2.445 146 C HN 0.729 nan 8.230 nan 0.000 0.550 147 V N 5.646 125.798 119.914 0.396 0.000 2.901 147 V HA 0.275 4.394 4.120 -0.001 0.000 0.307 147 V C 0.060 176.244 176.094 0.151 0.000 1.084 147 V CA 0.672 63.146 62.300 0.290 0.000 1.184 147 V CB -0.170 31.735 31.823 0.137 0.000 0.941 147 V HN 1.388 nan 8.190 nan 0.000 0.493 155 K N 2.479 122.880 120.400 0.001 0.000 2.237 155 K HA 0.298 4.617 4.320 -0.001 0.000 0.270 155 K C -2.261 174.355 176.600 0.026 0.000 1.015 155 K CA -1.550 54.708 56.287 -0.049 0.000 0.949 155 K CB 0.330 32.685 32.500 -0.241 0.000 0.976 155 K HN 0.174 nan 8.250 nan 0.000 0.472 156 P HA 0.012 nan 4.420 nan 0.000 0.272 156 P C -0.894 176.444 177.300 0.063 0.000 1.223 156 P CA -0.341 62.775 63.100 0.027 0.000 0.784 156 P CB 0.646 32.346 31.700 0.001 0.000 0.923 157 A N 3.358 126.224 122.820 0.078 0.000 2.587 157 A HA -0.019 4.300 4.320 -0.001 0.000 0.233 157 A C 0.586 178.219 177.584 0.082 0.000 1.049 157 A CA 0.277 52.371 52.037 0.096 0.000 0.754 157 A CB -0.316 18.724 19.000 0.067 0.000 0.977 157 A HN 0.457 nan 8.150 nan 0.000 0.509 158 R N 0.281 120.848 120.500 0.112 0.000 2.679 158 R HA 0.348 4.687 4.340 -0.001 0.000 0.269 158 R C -0.913 175.443 176.300 0.093 0.000 1.076 158 R CA -0.542 55.622 56.100 0.107 0.000 1.160 158 R CB 0.244 30.625 30.300 0.135 0.000 1.054 158 R HN 0.496 nan 8.270 nan 0.000 0.507 159 L N 2.475 123.757 121.223 0.099 0.000 2.317 159 L HA 0.464 4.803 4.340 -0.001 0.000 0.281 159 L C -0.359 176.598 176.870 0.145 0.000 1.024 159 L CA -0.560 54.341 54.840 0.102 0.000 0.810 159 L CB 1.383 43.487 42.059 0.074 0.000 1.240 159 L HN 0.491 nan 8.230 nan 0.000 0.427 160 I N 2.859 123.533 120.570 0.172 0.000 2.474 160 I HA 0.651 4.820 4.170 -0.001 0.000 0.294 160 I C -1.059 175.230 176.117 0.286 0.000 1.005 160 I CA -0.346 61.094 61.300 0.234 0.000 1.113 160 I CB 1.850 39.986 38.000 0.226 0.000 1.289 160 I HN 0.227 nan 8.210 nan 0.000 0.436 161 V N 8.589 128.674 119.914 0.285 0.000 2.443 161 V HA 0.564 4.684 4.120 -0.001 0.000 0.293 161 V C -0.959 175.283 176.094 0.247 0.000 1.021 161 V CA -0.444 61.963 62.300 0.179 0.000 0.848 161 V CB 1.088 33.002 31.823 0.153 0.000 0.998 161 V HN 0.587 nan 8.190 nan 0.000 0.424 162 F N 5.080 125.069 119.950 0.065 0.000 2.601 162 F HA 0.951 5.477 4.527 -0.001 0.000 0.309 162 F C -3.038 172.792 175.800 0.050 0.000 1.089 162 F CA -2.691 55.347 58.000 0.063 0.000 0.940 162 F CB 1.718 40.749 39.000 0.052 0.000 1.273 162 F HN 0.291 nan 8.300 nan 0.000 0.450 163 P HA 0.205 nan 4.420 nan 0.000 0.284 163 P C -1.104 176.298 177.300 0.169 0.000 1.292 163 P CA -0.187 62.971 63.100 0.095 0.000 0.800 163 P CB 1.257 33.020 31.700 0.106 0.000 1.188 164 D N -0.897 119.573 120.400 0.116 0.000 2.382 164 D HA -0.036 4.603 4.640 -0.001 0.000 0.240 164 D C 1.379 177.770 176.300 0.151 0.000 1.146 164 D CA -0.324 53.750 54.000 0.124 0.000 0.897 164 D CB 0.306 41.185 40.800 0.133 0.000 1.197 164 D HN 0.107 nan 8.370 nan 0.000 0.432 165 L N 3.507 124.794 121.223 0.105 0.000 2.051 165 L HA -0.042 4.297 4.340 -0.001 0.000 0.214 165 L C 2.059 179.039 176.870 0.184 0.000 1.076 165 L CA 2.632 57.535 54.840 0.106 0.000 0.758 165 L CB -1.127 40.944 42.059 0.021 0.000 0.890 165 L HN 0.673 nan 8.230 nan 0.000 0.433 166 G N -1.269 107.691 108.800 0.267 0.000 2.442 166 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.219 166 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.219 166 G C 1.524 176.551 174.900 0.213 0.000 1.141 166 G CA 1.092 46.384 45.100 0.320 0.000 0.763 166 G HN 0.377 nan 8.290 nan 0.000 0.554 167 V N 0.694 120.723 119.914 0.191 0.000 2.358 167 V HA -0.162 3.957 4.120 -0.001 0.000 0.246 167 V C 2.922 179.108 176.094 0.154 0.000 1.047 167 V CA 1.915 64.309 62.300 0.156 0.000 1.035 167 V CB -0.467 31.432 31.823 0.127 0.000 0.658 167 V HN 0.335 nan 8.190 nan 0.000 0.452 168 R N -0.195 120.394 120.500 0.149 0.000 2.091 168 R HA -0.141 4.198 4.340 -0.001 0.000 0.238 168 R C 2.252 178.615 176.300 0.105 0.000 1.136 168 R CA 1.603 57.782 56.100 0.131 0.000 0.959 168 R CB -0.764 29.601 30.300 0.109 0.000 0.856 168 R HN 0.428 nan 8.270 nan 0.000 0.437 169 V N 0.836 120.804 119.914 0.091 0.000 2.287 169 V HA -0.350 3.769 4.120 -0.001 0.000 0.248 169 V C 2.615 178.748 176.094 0.066 0.000 1.053 169 V CA 1.819 64.145 62.300 0.044 0.000 1.027 169 V CB -0.642 31.192 31.823 0.019 0.000 0.646 169 V HN 0.463 nan 8.190 nan 0.000 0.447 170 C N -0.267 119.124 119.300 0.151 0.000 2.401 170 C HA -0.200 4.260 4.460 -0.001 0.000 0.276 170 C C 2.720 177.901 174.990 0.319 0.000 1.233 170 C CA 1.266 60.467 59.018 0.306 0.000 1.753 170 C CB -1.089 26.889 27.740 0.397 0.000 2.029 170 C HN 0.624 nan 8.230 nan 0.000 0.478 171 E N 0.487 120.823 120.200 0.227 0.000 2.085 171 E HA -0.238 4.111 4.350 -0.001 0.000 0.194 171 E C 2.195 178.915 176.600 0.201 0.000 0.994 171 E CA 1.326 57.864 56.400 0.230 0.000 0.801 171 E CB -0.117 29.723 29.700 0.234 0.000 0.743 171 E HN 0.623 nan 8.360 nan 0.000 0.453 172 K N 0.122 120.606 120.400 0.139 0.000 2.057 172 K HA -0.133 4.187 4.320 -0.001 0.000 0.207 172 K C 2.189 178.848 176.600 0.098 0.000 1.049 172 K CA 1.350 57.703 56.287 0.110 0.000 0.931 172 K CB -0.109 32.380 32.500 -0.019 0.000 0.714 172 K HN 0.123 nan 8.250 nan 0.000 0.440 173 M N 0.199 119.818 119.600 0.032 0.000 2.065 173 M HA -0.213 4.266 4.480 -0.001 0.000 0.259 173 M C 2.416 178.761 176.300 0.075 0.000 1.069 173 M CA 1.919 57.174 55.300 -0.075 0.000 1.110 173 M CB -0.341 32.019 32.600 -0.401 0.000 1.328 173 M HN 0.248 nan 8.290 nan 0.000 0.405 174 A N -0.788 122.199 122.820 0.280 0.000 1.970 174 A HA 0.019 4.338 4.320 -0.001 0.000 0.216 174 A C 1.867 179.556 177.584 0.175 0.000 1.170 174 A CA 1.232 53.474 52.037 0.341 0.000 0.645 174 A CB -0.194 19.037 19.000 0.385 0.000 0.816 174 A HN 0.510 nan 8.150 nan 0.000 0.447 175 L N -3.659 117.652 121.223 0.146 0.000 2.948 175 L HA 0.177 4.516 4.340 -0.001 0.000 0.259 175 L C 1.902 178.804 176.870 0.053 0.000 1.136 175 L CA 0.058 54.926 54.840 0.047 0.000 0.959 175 L CB -0.007 42.055 42.059 0.004 0.000 1.370 175 L HN 0.416 nan 8.230 nan 0.000 0.552 176 Y N 1.696 122.010 120.300 0.023 0.000 2.069 176 Y HA -0.395 4.154 4.550 -0.001 0.000 0.278 176 Y C 2.264 178.196 175.900 0.054 0.000 1.175 176 Y CA 2.468 60.595 58.100 0.045 0.000 1.134 176 Y CB -0.018 38.453 38.460 0.019 0.000 0.965 176 Y HN 0.231 nan 8.280 nan 0.000 0.498 177 D N -0.767 119.666 120.400 0.055 0.000 2.117 177 D HA -0.167 4.473 4.640 -0.001 0.000 0.197 177 D C 2.271 178.515 176.300 -0.093 0.000 0.987 177 D CA 1.474 55.458 54.000 -0.026 0.000 0.829 177 D CB -0.317 40.516 40.800 0.055 0.000 0.961 177 D HN 0.267 nan 8.370 nan 0.000 0.460 178 V N 0.666 120.533 119.914 -0.078 0.000 2.220 178 V HA -0.261 3.858 4.120 -0.001 0.000 0.246 178 V C 2.760 178.750 176.094 -0.172 0.000 1.049 178 V CA 2.054 64.285 62.300 -0.114 0.000 1.003 178 V CB -0.906 30.824 31.823 -0.156 0.000 0.634 178 V HN 0.338 nan 8.190 nan 0.000 0.444 179 V N -2.067 117.719 119.914 -0.214 0.000 2.867 179 V HA -0.147 3.973 4.120 -0.001 0.000 0.260 179 V C 2.031 177.973 176.094 -0.254 0.000 1.099 179 V CA 2.286 64.452 62.300 -0.224 0.000 1.122 179 V CB -0.533 31.179 31.823 -0.185 0.000 0.708 179 V HN 0.477 nan 8.190 nan 0.000 0.490 180 S N 0.794 116.335 115.700 -0.265 0.000 2.458 180 S HA -0.015 4.454 4.470 -0.001 0.000 0.223 180 S C 1.886 176.398 174.600 -0.147 0.000 1.019 180 S CA 1.345 59.411 58.200 -0.223 0.000 0.937 180 S CB 0.063 63.082 63.200 -0.303 0.000 0.788 180 S HN 0.955 nan 8.310 nan 0.000 0.511 181 T N -0.851 113.613 114.554 -0.149 0.000 2.987 181 T HA 0.297 4.646 4.350 -0.001 0.000 0.248 181 T C 1.653 176.265 174.700 -0.147 0.000 0.997 181 T CA -0.159 61.873 62.100 -0.112 0.000 1.013 181 T CB -0.499 68.326 68.868 -0.071 0.000 1.077 181 T HN 0.203 nan 8.240 nan 0.000 0.483 182 L N 2.046 123.173 121.223 -0.159 0.000 2.046 182 L HA 0.131 4.470 4.340 -0.001 0.000 0.208 182 L C -0.872 175.839 176.870 -0.266 0.000 1.077 182 L CA 1.352 56.099 54.840 -0.156 0.000 0.747 182 L CB -0.685 41.325 42.059 -0.081 0.000 0.896 182 L HN 0.153 nan 8.230 nan 0.000 0.432 183 P HA -0.197 nan 4.420 nan 0.000 0.217 183 P C 1.311 178.203 177.300 -0.679 0.000 1.150 183 P CA 1.108 63.794 63.100 -0.689 0.000 0.832 183 P CB -0.180 30.813 31.700 -1.179 0.000 0.787 184 Q N 0.170 119.638 119.800 -0.553 0.000 2.167 184 Q HA -0.092 4.247 4.340 -0.001 0.000 0.202 184 Q C 1.933 177.830 176.000 -0.172 0.000 0.970 184 Q CA 1.342 57.011 55.803 -0.223 0.000 0.855 184 Q CB -0.617 28.087 28.738 -0.057 0.000 0.911 184 Q HN 0.075 nan 8.270 nan 0.000 0.438 185 V N 0.074 119.885 119.914 -0.172 0.000 2.307 185 V HA -0.217 3.902 4.120 -0.001 0.000 0.245 185 V C 2.518 178.529 176.094 -0.139 0.000 1.045 185 V CA 1.431 63.658 62.300 -0.122 0.000 1.024 185 V CB -0.499 31.266 31.823 -0.097 0.000 0.651 185 V HN 0.138 nan 8.190 nan 0.000 0.449 186 V N -0.757 119.038 119.914 -0.199 0.000 2.358 186 V HA -0.215 3.904 4.120 -0.001 0.000 0.246 186 V C 1.994 177.910 176.094 -0.296 0.000 1.047 186 V CA 2.285 64.449 62.300 -0.227 0.000 1.035 186 V CB -0.410 31.254 31.823 -0.265 0.000 0.658 186 V HN 0.493 nan 8.190 nan 0.000 0.452 187 M N -1.766 117.620 119.600 -0.356 0.000 2.292 187 M HA 0.379 4.858 4.480 -0.001 0.000 0.286 187 M C 1.390 177.609 176.300 -0.136 0.000 1.002 187 M CA 0.681 55.716 55.300 -0.442 0.000 1.029 187 M CB 0.922 33.146 32.600 -0.626 0.000 1.537 187 M HN 0.428 nan 8.290 nan 0.000 0.543 188 G N 1.819 110.556 108.800 -0.105 0.000 2.634 188 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.309 188 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.309 188 G C 0.826 175.694 174.900 -0.054 0.000 1.265 188 G CA 0.932 46.005 45.100 -0.046 0.000 0.998 188 G HN 0.540 nan 8.290 nan 0.000 0.551 189 S N -0.658 115.025 115.700 -0.028 0.000 2.515 189 S HA 0.161 4.630 4.470 -0.001 0.000 0.231 189 S C 2.131 176.572 174.600 -0.265 0.000 0.987 189 S CA 1.694 59.812 58.200 -0.137 0.000 0.936 189 S CB 0.056 63.255 63.200 -0.002 0.000 0.766 189 S HN 0.964 nan 8.310 nan 0.000 0.528 190 S N 0.439 116.128 115.700 -0.018 0.000 2.522 190 S HA 0.120 4.589 4.470 -0.001 0.000 0.227 190 S C 0.183 174.802 174.600 0.032 0.000 0.986 190 S CA -0.134 58.115 58.200 0.081 0.000 0.929 190 S CB -0.426 62.943 63.200 0.283 0.000 0.769 190 S HN 0.709 nan 8.310 nan 0.000 0.529 191 Y N 2.984 123.161 120.300 -0.204 0.000 2.531 191 Y HA 0.476 5.025 4.550 -0.001 0.000 0.347 191 Y C 1.226 176.929 175.900 -0.329 0.000 1.024 191 Y CA -1.494 56.460 58.100 -0.244 0.000 1.306 191 Y CB 0.079 38.391 38.460 -0.248 0.000 1.149 191 Y HN 0.045 nan 8.280 nan 0.000 0.527 192 G N 4.463 112.831 108.800 -0.720 0.000 2.448 192 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.218 192 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.218 192 G C 0.949 175.346 174.900 -0.837 0.000 1.135 192 G CA 0.233 44.932 45.100 -0.668 0.000 0.784 192 G HN 0.628 nan 8.290 nan 0.000 0.543 193 F N 1.167 120.443 119.950 -1.123 0.000 2.811 193 F HA 0.093 4.620 4.527 -0.001 0.000 0.301 193 F C 2.765 178.350 175.800 -0.358 0.000 1.151 193 F CA 0.527 58.047 58.000 -0.800 0.000 1.412 193 F CB 0.008 38.533 39.000 -0.792 0.000 1.113 193 F HN 0.349 nan 8.300 nan 0.000 0.579 194 Q N -0.673 118.858 119.800 -0.448 0.000 2.435 194 Q HA -0.093 4.246 4.340 -0.001 0.000 0.207 194 Q C -0.616 175.264 176.000 -0.199 0.000 0.956 194 Q CA 0.920 56.567 55.803 -0.259 0.000 0.917 194 Q CB -0.314 28.171 28.738 -0.422 0.000 0.997 194 Q HN 0.287 nan 8.270 nan 0.000 0.497 195 Y N 1.609 121.924 120.300 0.024 0.000 2.387 195 Y HA 0.323 4.872 4.550 -0.001 0.000 0.336 195 Y C 0.505 176.275 175.900 -0.216 0.000 1.067 195 Y CA -1.456 56.602 58.100 -0.070 0.000 1.114 195 Y CB 1.556 39.938 38.460 -0.129 0.000 1.208 195 Y HN 0.087 nan 8.280 nan 0.000 0.458 196 S N 2.293 117.753 115.700 -0.400 0.000 2.589 196 S HA 0.164 4.633 4.470 -0.001 0.000 0.265 196 S C -1.997 172.306 174.600 -0.496 0.000 1.342 196 S CA -0.898 56.634 58.200 -1.114 0.000 1.005 196 S CB 1.078 63.753 63.200 -0.875 0.000 0.909 196 S HN 0.459 nan 8.310 nan 0.000 0.555 197 P HA -0.003 nan 4.420 nan 0.000 0.216 197 P C 1.740 178.978 177.300 -0.102 0.000 1.150 197 P CA 1.686 64.680 63.100 -0.177 0.000 0.837 197 P CB -0.520 31.115 31.700 -0.107 0.000 0.786 198 G N -0.103 108.617 108.800 -0.135 0.000 2.459 198 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.217 198 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.217 198 G C 1.536 176.388 174.900 -0.080 0.000 1.183 198 G CA 0.727 45.794 45.100 -0.056 0.000 0.776 198 G HN 0.303 nan 8.290 nan 0.000 0.552 199 Q N -0.463 119.271 119.800 -0.110 0.000 2.170 199 Q HA -0.063 4.276 4.340 -0.001 0.000 0.203 199 Q C 2.598 178.427 176.000 -0.285 0.000 0.976 199 Q CA 1.116 56.856 55.803 -0.104 0.000 0.858 199 Q CB -0.153 28.611 28.738 0.044 0.000 0.907 199 Q HN 0.502 nan 8.270 nan 0.000 0.433 200 R N 0.413 120.773 120.500 -0.233 0.000 2.066 200 R HA -0.123 4.216 4.340 -0.001 0.000 0.232 200 R C 2.079 178.282 176.300 -0.162 0.000 1.131 200 R CA 1.239 57.179 56.100 -0.267 0.000 0.955 200 R CB -0.126 30.128 30.300 -0.077 0.000 0.851 200 R HN 0.097 nan 8.270 nan 0.000 0.432 201 V N 1.650 121.500 119.914 -0.106 0.000 2.332 201 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 201 V C 2.422 178.434 176.094 -0.137 0.000 1.055 201 V CA 2.284 64.527 62.300 -0.095 0.000 1.038 201 V CB -0.636 31.174 31.823 -0.021 0.000 0.651 201 V HN 0.514 nan 8.190 nan 0.000 0.450 202 E N -0.237 119.893 120.200 -0.116 0.000 2.051 202 E HA -0.273 4.077 4.350 -0.001 0.000 0.192 202 E C 2.160 178.679 176.600 -0.135 0.000 0.991 202 E CA 1.657 57.991 56.400 -0.111 0.000 0.799 202 E CB -0.239 29.421 29.700 -0.066 0.000 0.748 202 E HN 0.535 nan 8.360 nan 0.000 0.449 203 F N 1.378 121.120 119.950 -0.347 0.000 2.134 203 F HA -0.156 4.370 4.527 -0.001 0.000 0.299 203 F C 1.909 177.572 175.800 -0.228 0.000 1.097 203 F CA 1.362 59.147 58.000 -0.357 0.000 1.264 203 F CB -0.262 38.328 39.000 -0.684 0.000 1.001 203 F HN 0.012 nan 8.300 nan 0.000 0.479 204 L N -0.805 120.224 121.223 -0.322 0.000 2.056 204 L HA -0.204 4.135 4.340 -0.001 0.000 0.207 204 L C 2.376 179.074 176.870 -0.286 0.000 1.078 204 L CA 1.001 55.641 54.840 -0.333 0.000 0.749 204 L CB -0.823 41.118 42.059 -0.195 0.000 0.901 204 L HN -0.001 nan 8.230 nan 0.000 0.433 205 V N -0.066 119.669 119.914 -0.298 0.000 2.307 205 V HA -0.249 3.871 4.120 -0.001 0.000 0.245 205 V C 2.149 178.119 176.094 -0.206 0.000 1.045 205 V CA 1.801 63.912 62.300 -0.316 0.000 1.024 205 V CB -0.669 30.831 31.823 -0.538 0.000 0.651 205 V HN 0.474 nan 8.190 nan 0.000 0.449 206 N N 0.036 118.600 118.700 -0.226 0.000 2.309 206 N HA -0.116 4.623 4.740 -0.001 0.000 0.182 206 N C 1.860 177.243 175.510 -0.212 0.000 1.018 206 N CA 1.728 54.671 53.050 -0.178 0.000 0.876 206 N CB -0.444 37.961 38.487 -0.137 0.000 0.972 206 N HN 0.479 nan 8.380 nan 0.000 0.434 207 T N 0.013 114.356 114.554 -0.351 0.000 2.812 207 T HA -0.098 4.251 4.350 -0.001 0.000 0.264 207 T C 1.492 176.092 174.700 -0.166 0.000 1.042 207 T CA 0.389 62.281 62.100 -0.346 0.000 1.140 207 T CB -0.127 68.384 68.868 -0.595 0.000 0.870 207 T HN 0.412 nan 8.240 nan 0.000 0.445 208 W N 2.353 123.485 121.300 -0.281 0.000 2.358 208 W HA -0.076 4.583 4.660 -0.001 0.000 0.303 208 W C 1.828 178.256 176.519 -0.152 0.000 1.208 208 W CA 1.167 58.391 57.345 -0.202 0.000 1.274 208 W CB -0.143 29.195 29.460 -0.204 0.000 1.138 208 W HN 0.252 nan 8.180 nan 0.000 0.515 209 K N 0.240 120.646 120.400 0.010 0.000 2.103 209 K HA -0.140 4.179 4.320 -0.001 0.000 0.204 209 K C 2.214 178.759 176.600 -0.092 0.000 1.052 209 K CA 1.726 57.991 56.287 -0.036 0.000 0.945 209 K CB -0.433 32.057 32.500 -0.018 0.000 0.722 209 K HN 0.023 nan 8.250 nan 0.000 0.443 210 S N 0.887 116.521 115.700 -0.109 0.000 2.537 210 S HA -0.046 4.423 4.470 -0.001 0.000 0.240 210 S C 0.351 174.874 174.600 -0.128 0.000 0.981 210 S CA 0.524 58.661 58.200 -0.104 0.000 0.948 210 S CB -0.089 63.051 63.200 -0.100 0.000 0.759 210 S HN -0.020 nan 8.310 nan 0.000 0.531 211 K N 1.654 121.939 120.400 -0.190 0.000 2.156 211 K HA 0.372 4.691 4.320 -0.001 0.000 0.271 211 K C 0.550 177.036 176.600 -0.191 0.000 0.995 211 K CA -0.484 55.676 56.287 -0.213 0.000 0.890 211 K CB 1.345 33.655 32.500 -0.317 0.000 1.073 211 K HN 0.096 nan 8.250 nan 0.000 0.454 212 K N 1.361 121.679 120.400 -0.136 0.000 1.987 212 K HA -0.109 4.210 4.320 -0.001 0.000 0.216 212 K C 0.201 176.728 176.600 -0.122 0.000 1.051 212 K CA 1.415 57.640 56.287 -0.104 0.000 0.942 212 K CB 0.104 32.559 32.500 -0.074 0.000 0.722 212 K HN 0.504 nan 8.250 nan 0.000 0.444 213 N N 1.275 119.894 118.700 -0.135 0.000 2.626 213 N HA 0.223 4.962 4.740 -0.001 0.000 0.249 213 N C -2.804 172.566 175.510 -0.234 0.000 1.021 213 N CA -1.242 51.723 53.050 -0.142 0.000 0.886 213 N CB 1.695 40.141 38.487 -0.070 0.000 1.149 213 N HN 0.065 nan 8.380 nan 0.000 0.517 214 P HA 0.096 nan 4.420 nan 0.000 0.271 214 P C -0.291 176.600 177.300 -0.682 0.000 1.216 214 P CA -0.165 62.407 63.100 -0.879 0.000 0.776 214 P CB 1.142 31.614 31.700 -2.047 0.000 0.881 215 M N 2.319 121.604 119.600 -0.525 0.000 2.446 215 M HA 0.659 5.139 4.480 -0.001 0.000 0.294 215 M C -1.053 175.147 176.300 -0.168 0.000 1.158 215 M CA -0.355 54.728 55.300 -0.361 0.000 0.899 215 M CB 2.527 34.984 32.600 -0.239 0.000 1.687 215 M HN 0.564 nan 8.290 nan 0.000 0.455 216 G N 3.326 112.163 108.800 0.061 0.000 2.672 216 G HA2 0.852 4.811 3.960 -0.001 0.000 0.292 216 G HA3 0.852 4.811 3.960 -0.001 0.000 0.292 216 G C -2.005 173.002 174.900 0.178 0.000 1.375 216 G CA -0.629 44.559 45.100 0.146 0.000 0.890 216 G HN 0.826 nan 8.290 nan 0.000 0.476 217 F N -0.623 119.294 119.950 -0.056 0.000 2.678 217 F HA 0.777 5.303 4.527 -0.001 0.000 0.308 217 F C -0.257 175.531 175.800 -0.022 0.000 1.118 217 F CA -1.369 56.597 58.000 -0.057 0.000 0.959 217 F CB 1.190 40.136 39.000 -0.091 0.000 1.305 217 F HN 0.677 nan 8.300 nan 0.000 0.443 218 S N 1.101 116.878 115.700 0.129 0.000 2.654 218 S HA 0.687 5.157 4.470 -0.001 0.000 0.283 218 S C -1.574 173.222 174.600 0.327 0.000 1.180 218 S CA -0.608 57.653 58.200 0.102 0.000 1.021 218 S CB 1.804 65.043 63.200 0.064 0.000 1.018 218 S HN 0.923 nan 8.310 nan 0.000 0.532 219 Y N 1.122 121.527 120.300 0.175 0.000 2.329 219 Y HA 0.442 4.991 4.550 -0.001 0.000 0.328 219 Y C -1.289 174.734 175.900 0.205 0.000 0.992 219 Y CA -0.739 57.528 58.100 0.279 0.000 1.151 219 Y CB 1.459 40.197 38.460 0.463 0.000 1.150 219 Y HN 0.908 nan 8.280 nan 0.000 0.450 220 D N 4.329 124.601 120.400 -0.214 0.000 2.392 220 D HA 0.268 4.907 4.640 -0.001 0.000 0.228 220 D C -0.893 175.304 176.300 -0.172 0.000 1.074 220 D CA -0.154 53.797 54.000 -0.081 0.000 0.838 220 D CB 1.278 42.048 40.800 -0.049 0.000 1.067 220 D HN 0.431 nan 8.370 nan 0.000 0.511 221 T N 3.693 118.326 114.554 0.131 0.000 2.832 221 T HA 0.150 4.500 4.350 -0.001 0.000 0.296 221 T C 0.391 175.201 174.700 0.183 0.000 0.968 221 T CA -0.518 61.729 62.100 0.244 0.000 1.107 221 T CB 0.707 69.930 68.868 0.591 0.000 0.916 221 T HN 0.348 nan 8.240 nan 0.000 0.517 222 R N 2.199 122.760 120.500 0.102 0.000 2.401 222 R HA 0.124 4.463 4.340 -0.001 0.000 0.299 222 R C -0.205 176.207 176.300 0.187 0.000 1.064 222 R CA -0.354 55.800 56.100 0.091 0.000 1.000 222 R CB -0.442 29.854 30.300 -0.006 0.000 0.973 222 R HN 0.932 nan 8.270 nan 0.000 0.438 223 C N 5.831 125.271 119.300 0.235 0.000 2.977 223 C HA -0.168 4.291 4.460 -0.001 0.000 0.252 223 C C 1.341 176.547 174.990 0.360 0.000 1.310 223 C CA 0.161 59.370 59.018 0.317 0.000 2.393 223 C CB -2.974 25.015 27.740 0.414 0.000 1.512 223 C HN 1.011 nan 8.230 nan 0.000 0.453 224 F N 1.840 121.912 119.950 0.204 0.000 2.091 224 F HA -0.176 4.351 4.527 -0.001 0.000 0.299 224 F C 1.949 177.860 175.800 0.185 0.000 1.103 224 F CA 2.397 60.516 58.000 0.197 0.000 1.228 224 F CB -0.006 39.098 39.000 0.174 0.000 0.984 224 F HN 0.467 nan 8.300 nan 0.000 0.477 225 D N -0.385 120.255 120.400 0.399 0.000 2.149 225 D HA -0.164 4.476 4.640 -0.001 0.000 0.198 225 D C 2.453 178.813 176.300 0.100 0.000 0.990 225 D CA 1.634 55.791 54.000 0.262 0.000 0.839 225 D CB -0.530 40.428 40.800 0.262 0.000 0.948 225 D HN 0.245 nan 8.370 nan 0.000 0.460 226 S N -0.455 115.318 115.700 0.121 0.000 2.423 226 S HA -0.118 4.351 4.470 -0.001 0.000 0.231 226 S C 2.040 176.593 174.600 -0.079 0.000 1.014 226 S CA 1.458 59.626 58.200 -0.054 0.000 0.965 226 S CB -0.270 62.866 63.200 -0.106 0.000 0.785 226 S HN 0.539 nan 8.310 nan 0.000 0.495 227 T N -0.471 114.112 114.554 0.049 0.000 3.088 227 T HA 0.129 4.478 4.350 -0.001 0.000 0.259 227 T C 0.598 175.218 174.700 -0.133 0.000 1.122 227 T CA 0.005 62.123 62.100 0.029 0.000 1.095 227 T CB -0.410 68.438 68.868 -0.034 0.000 0.930 227 T HN 0.035 nan 8.240 nan 0.000 0.508 228 V N 4.105 123.908 119.914 -0.186 0.000 2.485 228 V HA 0.294 4.414 4.120 -0.001 0.000 0.287 228 V C 1.148 177.190 176.094 -0.086 0.000 1.022 228 V CA -0.097 62.119 62.300 -0.139 0.000 1.067 228 V CB -0.070 31.719 31.823 -0.057 0.000 0.967 228 V HN 0.731 nan 8.190 nan 0.000 0.479 229 T N 0.807 115.325 114.554 -0.060 0.000 2.912 229 T HA 0.318 4.667 4.350 -0.001 0.000 0.280 229 T C 1.065 175.749 174.700 -0.028 0.000 0.989 229 T CA -0.279 61.792 62.100 -0.050 0.000 0.995 229 T CB 1.555 70.400 68.868 -0.039 0.000 1.077 229 T HN 0.700 nan 8.240 nan 0.000 0.531 230 E N 0.763 120.948 120.200 -0.026 0.000 2.070 230 E HA -0.335 4.015 4.350 -0.001 0.000 0.197 230 E C 1.921 178.523 176.600 0.004 0.000 1.004 230 E CA 1.952 58.349 56.400 -0.005 0.000 0.805 230 E CB -0.303 29.393 29.700 -0.007 0.000 0.744 230 E HN 0.795 nan 8.360 nan 0.000 0.451 231 N N 0.616 119.313 118.700 -0.004 0.000 2.060 231 N HA -0.221 4.518 4.740 -0.001 0.000 0.195 231 N C 1.460 176.984 175.510 0.023 0.000 1.028 231 N CA 2.291 55.343 53.050 0.004 0.000 0.861 231 N CB -0.166 38.312 38.487 -0.015 0.000 1.029 231 N HN 0.182 nan 8.380 nan 0.000 0.428 232 D N -0.190 120.223 120.400 0.021 0.000 2.144 232 D HA -0.086 4.553 4.640 -0.001 0.000 0.199 232 D C 1.946 178.262 176.300 0.026 0.000 0.984 232 D CA 0.959 54.984 54.000 0.042 0.000 0.834 232 D CB -0.194 40.625 40.800 0.033 0.000 0.955 232 D HN 0.482 nan 8.370 nan 0.000 0.465 233 I N 0.518 121.104 120.570 0.026 0.000 2.500 233 I HA -0.121 4.048 4.170 -0.001 0.000 0.252 233 I C 2.386 178.519 176.117 0.027 0.000 1.142 233 I CA 0.622 61.944 61.300 0.038 0.000 1.451 233 I CB -0.013 38.031 38.000 0.074 0.000 1.093 233 I HN -0.140 nan 8.210 nan 0.000 0.430 234 R N 0.153 120.666 120.500 0.022 0.000 2.092 234 R HA -0.070 4.269 4.340 -0.001 0.000 0.231 234 R C 2.315 178.600 176.300 -0.025 0.000 1.119 234 R CA 0.996 57.103 56.100 0.012 0.000 0.970 234 R CB -0.401 29.909 30.300 0.016 0.000 0.864 234 R HN 0.200 nan 8.270 nan 0.000 0.440 235 V N 1.596 121.497 119.914 -0.022 0.000 2.343 235 V HA -0.236 3.883 4.120 -0.001 0.000 0.247 235 V C 1.938 177.941 176.094 -0.152 0.000 1.051 235 V CA 1.852 64.123 62.300 -0.048 0.000 1.036 235 V CB -0.431 31.401 31.823 0.014 0.000 0.654 235 V HN 0.344 nan 8.190 nan 0.000 0.451 236 E N -0.079 120.005 120.200 -0.194 0.000 2.070 236 E HA -0.296 4.053 4.350 -0.001 0.000 0.197 236 E C 2.290 178.407 176.600 -0.806 0.000 1.004 236 E CA 1.581 57.701 56.400 -0.467 0.000 0.805 236 E CB -0.240 29.249 29.700 -0.352 0.000 0.744 236 E HN 0.642 nan 8.360 nan 0.000 0.451 237 E N 0.556 120.522 120.200 -0.390 0.000 2.097 237 E HA -0.234 4.115 4.350 -0.001 0.000 0.196 237 E C 2.157 178.673 176.600 -0.142 0.000 1.000 237 E CA 1.645 57.942 56.400 -0.172 0.000 0.804 237 E CB -0.001 29.729 29.700 0.050 0.000 0.740 237 E HN 0.268 nan 8.360 nan 0.000 0.454 238 S N 0.147 115.768 115.700 -0.133 0.000 2.402 238 S HA -0.124 4.345 4.470 -0.001 0.000 0.229 238 S C 2.053 176.595 174.600 -0.095 0.000 1.021 238 S CA 0.862 59.016 58.200 -0.078 0.000 0.974 238 S CB -0.500 62.668 63.200 -0.054 0.000 0.800 238 S HN 0.283 nan 8.310 nan 0.000 0.484 239 I N 0.388 120.847 120.570 -0.185 0.000 2.142 239 I HA -0.167 4.002 4.170 -0.001 0.000 0.240 239 I C 2.375 178.456 176.117 -0.060 0.000 1.078 239 I CA 1.492 62.697 61.300 -0.157 0.000 1.343 239 I CB -0.651 37.212 38.000 -0.228 0.000 1.046 239 I HN 0.218 nan 8.210 nan 0.000 0.405 240 Y N 1.014 121.307 120.300 -0.013 0.000 2.193 240 Y HA -0.247 4.303 4.550 -0.001 0.000 0.285 240 Y C 2.642 178.545 175.900 0.005 0.000 1.166 240 Y CA 0.827 58.925 58.100 -0.004 0.000 1.181 240 Y CB -1.056 37.417 38.460 0.022 0.000 0.976 240 Y HN 0.273 nan 8.280 nan 0.000 0.520 241 Q N -1.377 118.503 119.800 0.134 0.000 2.435 241 Q HA -0.061 4.278 4.340 -0.001 0.000 0.207 241 Q C 2.290 178.321 176.000 0.051 0.000 0.956 241 Q CA 0.746 56.602 55.803 0.090 0.000 0.917 241 Q CB -0.621 28.155 28.738 0.064 0.000 0.997 241 Q HN 0.526 nan 8.270 nan 0.000 0.497 242 C N 0.410 119.730 119.300 0.033 0.000 2.419 242 C HA -0.061 4.399 4.460 -0.001 0.000 0.283 242 C C 1.600 176.605 174.990 0.024 0.000 1.373 242 C CA -0.607 58.421 59.018 0.017 0.000 1.781 242 C CB -0.852 26.887 27.740 -0.002 0.000 1.886 242 C HN 0.395 nan 8.230 nan 0.000 0.520 243 C N 1.967 121.292 119.300 0.041 0.000 2.700 243 C HA 0.137 4.596 4.460 -0.001 0.000 0.397 243 C C 0.625 175.635 174.990 0.033 0.000 1.301 243 C CA -0.294 58.745 59.018 0.034 0.000 2.219 243 C CB -0.237 27.530 27.740 0.044 0.000 2.699 243 C HN 0.512 nan 8.230 nan 0.000 0.669 244 D N 1.924 122.339 120.400 0.025 0.000 2.374 244 D HA 0.386 5.026 4.640 -0.001 0.000 0.240 244 D C -0.573 175.747 176.300 0.032 0.000 1.229 244 D CA 0.329 54.344 54.000 0.025 0.000 0.895 244 D CB -0.076 40.734 40.800 0.017 0.000 1.046 244 D HN 0.402 nan 8.370 nan 0.000 0.498 245 L N 2.109 123.356 121.223 0.040 0.000 2.341 245 L HA 0.634 4.973 4.340 -0.001 0.000 0.267 245 L C 0.536 177.437 176.870 0.051 0.000 1.009 245 L CA -1.476 53.395 54.840 0.051 0.000 0.819 245 L CB 1.801 43.898 42.059 0.063 0.000 1.323 245 L HN 0.331 nan 8.230 nan 0.000 0.425 246 A N 2.233 125.090 122.820 0.061 0.000 2.531 246 A HA 0.237 4.556 4.320 -0.001 0.000 0.236 246 A C -1.747 175.879 177.584 0.070 0.000 1.062 246 A CA -0.712 51.364 52.037 0.065 0.000 0.760 246 A CB -0.229 18.818 19.000 0.079 0.000 0.995 246 A HN 0.634 nan 8.150 nan 0.000 0.501 247 P HA -0.200 nan 4.420 nan 0.000 0.216 247 P C 1.328 178.663 177.300 0.058 0.000 1.150 247 P CA 1.662 64.792 63.100 0.049 0.000 0.843 247 P CB 0.212 31.934 31.700 0.037 0.000 0.787 248 E N -0.551 119.701 120.200 0.088 0.000 2.077 248 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 248 E C 1.936 178.623 176.600 0.144 0.000 0.989 248 E CA 1.165 57.638 56.400 0.121 0.000 0.800 248 E CB -0.435 29.395 29.700 0.216 0.000 0.746 248 E HN 0.087 nan 8.360 nan 0.000 0.452 249 A N 1.422 124.352 122.820 0.183 0.000 1.902 249 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 249 A C 2.107 179.753 177.584 0.103 0.000 1.181 249 A CA 1.378 53.529 52.037 0.190 0.000 0.623 249 A CB -0.464 18.637 19.000 0.168 0.000 0.818 249 A HN 0.181 nan 8.150 nan 0.000 0.443 250 R N -0.962 119.583 120.500 0.076 0.000 2.103 250 R HA -0.228 4.111 4.340 -0.001 0.000 0.242 250 R C 2.449 178.762 176.300 0.023 0.000 1.142 250 R CA 1.820 57.953 56.100 0.055 0.000 0.960 250 R CB -0.333 29.993 30.300 0.044 0.000 0.858 250 R HN 0.675 nan 8.270 nan 0.000 0.439 251 Q N 0.669 120.464 119.800 -0.009 0.000 2.046 251 Q HA -0.051 4.288 4.340 -0.001 0.000 0.200 251 Q C 2.020 177.944 176.000 -0.127 0.000 0.975 251 Q CA 1.867 57.632 55.803 -0.063 0.000 0.836 251 Q CB -0.230 28.460 28.738 -0.081 0.000 0.896 251 Q HN 0.329 nan 8.270 nan 0.000 0.428 252 A N 0.199 122.902 122.820 -0.195 0.000 1.940 252 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 252 A C 2.111 179.623 177.584 -0.120 0.000 1.176 252 A CA 1.541 53.394 52.037 -0.307 0.000 0.631 252 A CB -0.760 17.914 19.000 -0.543 0.000 0.814 252 A HN 0.493 nan 8.150 nan 0.000 0.446 253 I N -0.605 119.962 120.570 -0.005 0.000 2.202 253 I HA -0.256 3.913 4.170 -0.001 0.000 0.242 253 I C 2.533 178.694 176.117 0.073 0.000 1.091 253 I CA 1.825 63.175 61.300 0.083 0.000 1.368 253 I CB -0.260 37.825 38.000 0.142 0.000 1.058 253 I HN 0.385 nan 8.210 nan 0.000 0.410 254 K N 0.572 120.994 120.400 0.036 0.000 2.032 254 K HA -0.244 4.075 4.320 -0.001 0.000 0.209 254 K C 2.357 178.940 176.600 -0.028 0.000 1.048 254 K CA 2.054 58.352 56.287 0.019 0.000 0.927 254 K CB -0.162 32.338 32.500 0.001 0.000 0.712 254 K HN 0.121 nan 8.250 nan 0.000 0.441 255 S N 0.586 116.238 115.700 -0.079 0.000 2.356 255 S HA -0.087 4.382 4.470 -0.001 0.000 0.223 255 S C 1.949 176.453 174.600 -0.159 0.000 1.032 255 S CA 1.225 59.353 58.200 -0.120 0.000 1.005 255 S CB -0.234 62.864 63.200 -0.170 0.000 0.867 255 S HN 0.344 nan 8.310 nan 0.000 0.449 256 L N 0.652 121.746 121.223 -0.216 0.000 2.046 256 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 256 L C 2.737 179.280 176.870 -0.545 0.000 1.077 256 L CA 1.504 56.078 54.840 -0.444 0.000 0.747 256 L CB -1.088 40.649 42.059 -0.536 0.000 0.896 256 L HN 0.330 nan 8.230 nan 0.000 0.432 257 T N -0.707 113.735 114.554 -0.186 0.000 2.607 257 T HA -0.199 4.151 4.350 -0.001 0.000 0.267 257 T C 1.770 176.470 174.700 -0.000 0.000 1.049 257 T CA 1.490 63.626 62.100 0.059 0.000 1.162 257 T CB -0.180 68.801 68.868 0.188 0.000 0.863 257 T HN 0.335 nan 8.240 nan 0.000 0.424 258 E N 0.966 121.151 120.200 -0.025 0.000 2.110 258 E HA -0.074 4.275 4.350 -0.001 0.000 0.193 258 E C 2.350 178.931 176.600 -0.033 0.000 0.988 258 E CA 1.033 57.423 56.400 -0.017 0.000 0.804 258 E CB -0.151 29.537 29.700 -0.021 0.000 0.745 258 E HN 0.496 nan 8.360 nan 0.000 0.458 259 R N -0.612 119.841 120.500 -0.079 0.000 2.237 259 R HA 0.126 4.466 4.340 -0.001 0.000 0.195 259 R C 1.849 178.091 176.300 -0.096 0.000 0.956 259 R CA 0.171 56.228 56.100 -0.072 0.000 1.029 259 R CB 0.297 30.546 30.300 -0.085 0.000 0.972 259 R HN 0.036 nan 8.270 nan 0.000 0.493 260 L N -1.902 119.220 121.223 -0.168 0.000 2.638 260 L HA 0.209 4.548 4.340 -0.001 0.000 0.195 260 L C 1.275 178.131 176.870 -0.024 0.000 1.065 260 L CA 0.898 55.641 54.840 -0.162 0.000 0.859 260 L CB -0.152 41.727 42.059 -0.300 0.000 1.269 260 L HN -0.126 nan 8.230 nan 0.000 0.484 261 Y N 0.154 120.471 120.300 0.028 0.000 2.220 261 Y HA 0.016 4.566 4.550 -0.001 0.000 0.291 261 Y C 2.514 178.423 175.900 0.016 0.000 1.129 261 Y CA 1.290 59.415 58.100 0.041 0.000 1.161 261 Y CB -0.761 37.749 38.460 0.083 0.000 0.997 261 Y HN 0.097 nan 8.280 nan 0.000 0.522 262 I N -0.944 119.716 120.570 0.150 0.000 2.676 262 I HA 0.017 4.186 4.170 -0.001 0.000 0.259 262 I C 1.096 177.226 176.117 0.022 0.000 1.194 262 I CA 1.133 62.479 61.300 0.077 0.000 1.473 262 I CB -0.237 37.798 38.000 0.059 0.000 1.096 262 I HN 0.283 nan 8.210 nan 0.000 0.443 263 G N -0.965 107.829 108.800 -0.011 0.000 2.320 263 G HA2 0.479 4.439 3.960 -0.001 0.000 0.297 263 G HA3 0.479 4.439 3.960 -0.001 0.000 0.297 263 G C -0.970 173.785 174.900 -0.242 0.000 1.344 263 G CA -0.185 44.842 45.100 -0.121 0.000 0.851 263 G HN 0.367 nan 8.290 nan 0.000 0.567 264 G N -0.876 107.505 108.800 -0.698 0.000 2.320 264 G HA2 0.704 4.664 3.960 -0.001 0.000 0.297 264 G HA3 0.704 4.664 3.960 -0.001 0.000 0.297 264 G C -3.472 170.785 174.900 -1.072 0.000 1.344 264 G CA 0.120 44.749 45.100 -0.785 0.000 0.851 264 G HN 0.815 nan 8.290 nan 0.000 0.567 265 P HA 0.461 nan 4.420 nan 0.000 0.275 265 P C -0.500 176.702 177.300 -0.162 0.000 1.228 265 P CA -0.201 62.768 63.100 -0.218 0.000 0.786 265 P CB 1.286 32.996 31.700 0.017 0.000 0.927 266 L N 2.385 123.561 121.223 -0.078 0.000 2.296 266 L HA 0.441 4.780 4.340 -0.001 0.000 0.286 266 L C 0.547 177.421 176.870 0.006 0.000 1.023 266 L CA -0.204 54.621 54.840 -0.025 0.000 0.812 266 L CB 1.441 43.529 42.059 0.048 0.000 1.223 266 L HN 0.291 nan 8.230 nan 0.000 0.421 267 T N 1.579 116.112 114.554 -0.035 0.000 2.841 267 T HA 0.326 4.675 4.350 -0.001 0.000 0.283 267 T C -0.181 174.494 174.700 -0.042 0.000 1.000 267 T CA -0.831 61.250 62.100 -0.031 0.000 0.977 267 T CB 1.524 70.358 68.868 -0.057 0.000 0.979 267 T HN 0.648 nan 8.240 nan 0.000 0.446 268 N N 0.691 119.382 118.700 -0.014 0.000 2.364 268 N HA 0.121 4.861 4.740 -0.001 0.000 0.264 268 N C 1.485 176.976 175.510 -0.031 0.000 1.263 268 N CA -0.262 52.778 53.050 -0.016 0.000 0.959 268 N CB 0.102 38.590 38.487 0.003 0.000 1.204 268 N HN 0.459 nan 8.380 nan 0.000 0.550 269 S N -1.115 114.576 115.700 -0.016 0.000 2.465 269 S HA -0.131 4.338 4.470 -0.001 0.000 0.241 269 S C 0.834 175.424 174.600 -0.016 0.000 1.000 269 S CA 0.812 59.006 58.200 -0.011 0.000 0.964 269 S CB -0.462 62.746 63.200 0.014 0.000 0.763 269 S HN 0.650 nan 8.310 nan 0.000 0.512 270 K N 0.407 120.798 120.400 -0.013 0.000 2.387 270 K HA 0.371 4.690 4.320 -0.001 0.000 0.198 270 K C 1.174 177.764 176.600 -0.018 0.000 1.022 270 K CA 0.325 56.605 56.287 -0.013 0.000 1.128 270 K CB 0.210 32.707 32.500 -0.005 0.000 0.853 270 K HN 0.469 nan 8.250 nan 0.000 0.523 271 G N 1.495 110.279 108.800 -0.025 0.000 2.176 271 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.253 271 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.253 271 G C -0.258 174.637 174.900 -0.009 0.000 0.979 271 G CA -0.191 44.894 45.100 -0.026 0.000 0.641 271 G HN 0.351 nan 8.290 nan 0.000 0.530 272 Q N 0.153 119.953 119.800 0.000 0.000 2.261 272 Q HA 0.416 4.755 4.340 -0.001 0.000 0.252 272 Q C 0.231 176.247 176.000 0.026 0.000 0.915 272 Q CA -0.745 55.067 55.803 0.015 0.000 0.915 272 Q CB 0.846 29.596 28.738 0.019 0.000 1.204 272 Q HN 0.224 nan 8.270 nan 0.000 0.421 273 N N 1.363 120.085 118.700 0.038 0.000 2.417 273 N HA -0.060 4.679 4.740 -0.001 0.000 0.272 273 N C -0.216 175.348 175.510 0.089 0.000 1.304 273 N CA 0.110 53.195 53.050 0.058 0.000 0.906 273 N CB 0.302 38.825 38.487 0.061 0.000 1.135 273 N HN 0.618 nan 8.380 nan 0.000 0.483 274 C N 2.236 121.606 119.300 0.117 0.000 2.495 274 C HA 0.426 4.886 4.460 -0.001 0.000 0.275 274 C C 1.388 176.560 174.990 0.303 0.000 1.392 274 C CA 0.784 59.929 59.018 0.212 0.000 1.766 274 C CB -1.472 26.418 27.740 0.250 0.000 1.933 274 C HN 0.919 nan 8.230 nan 0.000 0.519 275 G N -1.822 107.084 108.800 0.176 0.000 2.334 275 G HA2 0.248 4.207 3.960 -0.001 0.000 0.249 275 G HA3 0.248 4.207 3.960 -0.001 0.000 0.249 275 G C -2.016 172.925 174.900 0.069 0.000 1.327 275 G CA -0.426 44.732 45.100 0.098 0.000 0.979 275 G HN 0.045 nan 8.290 nan 0.000 0.471 276 Y N 0.676 120.864 120.300 -0.186 0.000 2.470 276 Y HA 0.754 5.304 4.550 -0.001 0.000 0.341 276 Y C 0.042 175.816 175.900 -0.210 0.000 1.021 276 Y CA -0.822 57.186 58.100 -0.152 0.000 1.025 276 Y CB 2.011 40.392 38.460 -0.132 0.000 1.266 276 Y HN 0.714 nan 8.280 nan 0.000 0.448 277 R N 4.460 124.709 120.500 -0.419 0.000 2.407 277 R HA 0.554 4.894 4.340 -0.001 0.000 0.303 277 R C -0.683 175.430 176.300 -0.311 0.000 0.981 277 R CA -0.548 55.308 56.100 -0.406 0.000 0.905 277 R CB 0.912 31.037 30.300 -0.291 0.000 1.099 277 R HN 0.916 nan 8.270 nan 0.000 0.459 278 R N 3.041 123.335 120.500 -0.344 0.000 2.659 278 R HA 0.213 4.552 4.340 -0.001 0.000 0.418 278 R C -0.618 175.538 176.300 -0.239 0.000 1.076 278 R CA -0.312 55.676 56.100 -0.187 0.000 1.093 278 R CB 0.454 30.688 30.300 -0.110 0.000 1.400 278 R HN 0.777 nan 8.270 nan 0.000 0.583 279 C N -1.912 117.198 119.300 -0.318 0.000 3.307 279 C HA 0.618 5.077 4.460 -0.001 0.000 0.350 279 C C -0.205 174.713 174.990 -0.120 0.000 1.549 279 C CA -1.584 57.291 59.018 -0.238 0.000 1.396 279 C CB 1.237 28.765 27.740 -0.352 0.000 1.970 279 C HN 0.347 nan 8.230 nan 0.000 0.441 280 R N 1.261 121.742 120.500 -0.032 0.000 2.504 280 R HA 0.433 4.772 4.340 -0.001 0.000 0.291 280 R C 0.131 176.480 176.300 0.082 0.000 0.974 280 R CA 1.017 57.151 56.100 0.057 0.000 1.077 280 R CB -0.265 30.111 30.300 0.126 0.000 0.926 280 R HN 1.202 nan 8.270 nan 0.000 0.407 281 A N 3.712 126.595 122.820 0.106 0.000 2.366 281 A HA 0.232 4.551 4.320 -0.001 0.000 0.272 281 A C 0.905 178.584 177.584 0.159 0.000 1.135 281 A CA 0.094 52.216 52.037 0.141 0.000 0.804 281 A CB 0.429 19.523 19.000 0.157 0.000 1.064 281 A HN 0.999 nan 8.150 nan 0.000 0.499 282 S N 1.892 117.700 115.700 0.180 0.000 2.527 282 S HA 0.142 4.612 4.470 -0.001 0.000 0.222 282 S C 1.004 175.702 174.600 0.162 0.000 0.985 282 S CA 0.557 58.859 58.200 0.171 0.000 0.921 282 S CB 0.164 63.474 63.200 0.183 0.000 0.772 282 S HN 1.245 nan 8.310 nan 0.000 0.529 283 G N 1.959 110.877 108.800 0.196 0.000 4.804 283 G HA2 0.530 4.489 3.960 -0.001 0.000 0.310 283 G HA3 0.530 4.489 3.960 -0.001 0.000 0.310 283 G C -0.216 174.811 174.900 0.212 0.000 1.389 283 G CA -0.186 45.035 45.100 0.203 0.000 1.106 283 G HN 0.565 nan 8.290 nan 0.000 0.595 284 V N -2.205 117.814 119.914 0.175 0.000 3.046 284 V HA 0.601 4.720 4.120 -0.001 0.000 0.316 284 V C 1.351 177.516 176.094 0.118 0.000 1.104 284 V CA -0.945 61.471 62.300 0.193 0.000 1.006 284 V CB 1.722 33.727 31.823 0.303 0.000 1.058 284 V HN 0.095 nan 8.190 nan 0.000 0.440 285 L N 2.399 123.705 121.223 0.139 0.000 2.042 285 L HA -0.059 4.280 4.340 -0.001 0.000 0.210 285 L C 2.396 179.271 176.870 0.009 0.000 1.076 285 L CA 3.142 58.044 54.840 0.104 0.000 0.749 285 L CB -0.730 41.418 42.059 0.149 0.000 0.893 285 L HN 1.099 nan 8.230 nan 0.000 0.432 286 T N -5.642 108.828 114.554 -0.140 0.000 3.148 286 T HA -0.034 4.316 4.350 -0.001 0.000 0.253 286 T C 1.613 176.243 174.700 -0.116 0.000 1.134 286 T CA 0.813 62.783 62.100 -0.216 0.000 1.051 286 T CB -0.806 67.759 68.868 -0.505 0.000 0.959 286 T HN 0.296 nan 8.240 nan 0.000 0.525 287 T N 2.030 116.554 114.554 -0.050 0.000 2.635 287 T HA -0.183 4.166 4.350 -0.001 0.000 0.267 287 T C 2.196 176.919 174.700 0.039 0.000 1.040 287 T CA 1.866 63.979 62.100 0.021 0.000 1.156 287 T CB -0.687 68.221 68.868 0.066 0.000 0.863 287 T HN 0.562 nan 8.240 nan 0.000 0.430 288 S N -0.326 115.377 115.700 0.006 0.000 2.338 288 S HA -0.156 4.313 4.470 -0.001 0.000 0.218 288 S C 2.464 177.093 174.600 0.047 0.000 1.032 288 S CA 1.481 59.683 58.200 0.004 0.000 0.999 288 S CB -1.005 62.107 63.200 -0.147 0.000 0.905 288 S HN 0.675 nan 8.310 nan 0.000 0.439 289 C N 1.420 120.714 119.300 -0.011 0.000 2.413 289 C HA 0.020 4.479 4.460 -0.001 0.000 0.276 289 C C 2.850 177.882 174.990 0.069 0.000 1.236 289 C CA 1.283 60.306 59.018 0.007 0.000 1.735 289 C CB -1.862 25.846 27.740 -0.053 0.000 2.031 289 C HN 0.733 nan 8.230 nan 0.000 0.474 290 G N 0.350 109.201 108.800 0.086 0.000 2.440 290 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.218 290 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.218 290 G C 1.523 176.510 174.900 0.145 0.000 1.154 290 G CA 1.202 46.367 45.100 0.109 0.000 0.767 290 G HN 0.613 nan 8.290 nan 0.000 0.552 291 N N 0.224 119.014 118.700 0.149 0.000 2.171 291 N HA -0.056 4.683 4.740 -0.001 0.000 0.184 291 N C 2.438 177.994 175.510 0.077 0.000 1.021 291 N CA 1.488 54.641 53.050 0.170 0.000 0.854 291 N CB -0.701 37.807 38.487 0.036 0.000 0.994 291 N HN 0.233 nan 8.380 nan 0.000 0.426 292 T N 1.820 116.428 114.554 0.090 0.000 2.708 292 T HA -0.027 4.322 4.350 -0.001 0.000 0.266 292 T C 2.116 176.889 174.700 0.122 0.000 1.037 292 T CA 0.779 62.947 62.100 0.114 0.000 1.146 292 T CB -0.295 68.702 68.868 0.215 0.000 0.865 292 T HN 0.129 nan 8.240 nan 0.000 0.435 293 L N 0.525 121.796 121.223 0.080 0.000 2.056 293 L HA -0.103 4.236 4.340 -0.001 0.000 0.207 293 L C 2.952 179.907 176.870 0.142 0.000 1.078 293 L CA 1.225 56.097 54.840 0.054 0.000 0.749 293 L CB -0.990 41.060 42.059 -0.015 0.000 0.901 293 L HN 0.272 nan 8.230 nan 0.000 0.433 294 T N -1.334 113.327 114.554 0.179 0.000 2.821 294 T HA -0.213 4.137 4.350 -0.001 0.000 0.267 294 T C 2.008 176.903 174.700 0.325 0.000 1.046 294 T CA 1.397 63.636 62.100 0.232 0.000 1.139 294 T CB -0.368 68.666 68.868 0.276 0.000 0.871 294 T HN 0.477 nan 8.240 nan 0.000 0.454 295 C N 0.679 120.211 119.300 0.386 0.000 2.453 295 C HA -0.059 4.400 4.460 -0.001 0.000 0.277 295 C C 2.394 177.535 174.990 0.252 0.000 1.262 295 C CA 0.454 59.686 59.018 0.357 0.000 1.718 295 C CB -1.413 26.393 27.740 0.110 0.000 2.031 295 C HN 0.652 nan 8.230 nan 0.000 0.480 296 Y N 1.260 121.615 120.300 0.092 0.000 2.224 296 Y HA -0.085 4.465 4.550 -0.001 0.000 0.289 296 Y C 2.121 178.037 175.900 0.027 0.000 1.146 296 Y CA 2.070 60.204 58.100 0.057 0.000 1.182 296 Y CB -0.550 37.928 38.460 0.030 0.000 0.983 296 Y HN 0.366 nan 8.280 nan 0.000 0.524 297 L N 0.926 122.271 121.223 0.203 0.000 2.005 297 L HA -0.119 4.220 4.340 -0.001 0.000 0.207 297 L C 2.114 178.922 176.870 -0.105 0.000 1.072 297 L CA 1.945 56.789 54.840 0.006 0.000 0.744 297 L CB -0.954 41.068 42.059 -0.062 0.000 0.895 297 L HN 0.094 nan 8.230 nan 0.000 0.433 298 K N -0.238 120.158 120.400 -0.007 0.000 2.063 298 K HA -0.106 4.213 4.320 -0.001 0.000 0.208 298 K C 2.094 178.697 176.600 0.005 0.000 1.048 298 K CA 1.538 57.817 56.287 -0.013 0.000 0.928 298 K CB -0.444 32.131 32.500 0.126 0.000 0.713 298 K HN 0.523 nan 8.250 nan 0.000 0.442 299 A N 0.848 123.670 122.820 0.004 0.000 1.897 299 A HA -0.111 4.209 4.320 -0.001 0.000 0.215 299 A C 2.168 179.778 177.584 0.044 0.000 1.181 299 A CA 1.665 53.728 52.037 0.044 0.000 0.620 299 A CB -0.468 18.642 19.000 0.182 0.000 0.821 299 A HN 0.189 nan 8.150 nan 0.000 0.443 300 S N 0.416 116.019 115.700 -0.161 0.000 2.370 300 S HA -0.090 4.379 4.470 -0.001 0.000 0.226 300 S C 2.253 176.812 174.600 -0.069 0.000 1.033 300 S CA 1.281 59.359 58.200 -0.203 0.000 1.011 300 S CB -0.492 62.454 63.200 -0.423 0.000 0.852 300 S HN 0.793 nan 8.310 nan 0.000 0.457 301 A N 1.472 124.267 122.820 -0.041 0.000 1.930 301 A HA 0.233 4.552 4.320 -0.001 0.000 0.217 301 A C 2.337 179.994 177.584 0.122 0.000 1.175 301 A CA 1.493 53.565 52.037 0.058 0.000 0.627 301 A CB -0.948 18.093 19.000 0.069 0.000 0.815 301 A HN 0.518 nan 8.150 nan 0.000 0.443 302 A N -1.060 121.838 122.820 0.129 0.000 1.969 302 A HA -0.108 4.211 4.320 -0.001 0.000 0.218 302 A C 2.222 179.890 177.584 0.140 0.000 1.169 302 A CA 1.490 53.504 52.037 -0.037 0.000 0.635 302 A CB -1.161 17.453 19.000 -0.642 0.000 0.810 302 A HN 0.584 nan 8.150 nan 0.000 0.445 303 C N -0.661 118.803 119.300 0.272 0.000 2.425 303 C HA -0.094 4.365 4.460 -0.001 0.000 0.277 303 C C 2.879 177.891 174.990 0.037 0.000 1.280 303 C CA 1.131 60.295 59.018 0.244 0.000 1.744 303 C CB -1.290 26.538 27.740 0.147 0.000 1.989 303 C HN 0.617 nan 8.230 nan 0.000 0.491 304 R N 1.283 121.716 120.500 -0.111 0.000 2.062 304 R HA -0.033 4.307 4.340 -0.001 0.000 0.229 304 R C 2.487 178.543 176.300 -0.407 0.000 1.128 304 R CA 1.477 57.382 56.100 -0.326 0.000 0.960 304 R CB -0.646 29.326 30.300 -0.548 0.000 0.855 304 R HN 0.499 nan 8.270 nan 0.000 0.432 305 A N 1.693 124.294 122.820 -0.367 0.000 1.917 305 A HA -0.178 4.141 4.320 -0.001 0.000 0.219 305 A C 2.351 179.929 177.584 -0.009 0.000 1.182 305 A CA 1.969 53.956 52.037 -0.083 0.000 0.633 305 A CB -0.685 18.333 19.000 0.030 0.000 0.819 305 A HN 0.421 nan 8.150 nan 0.000 0.448 306 A N -1.821 121.012 122.820 0.021 0.000 2.167 306 A HA 0.180 4.499 4.320 -0.001 0.000 0.214 306 A C 1.122 178.724 177.584 0.031 0.000 1.151 306 A CA 1.122 53.194 52.037 0.058 0.000 0.735 306 A CB -0.353 18.736 19.000 0.150 0.000 0.802 306 A HN 0.536 nan 8.150 nan 0.000 0.467 307 K N -1.953 118.450 120.400 0.005 0.000 3.192 307 K HA -0.145 4.175 4.320 -0.001 0.000 0.278 307 K C -1.040 175.565 176.600 0.009 0.000 1.164 307 K CA 0.259 56.547 56.287 0.002 0.000 0.816 307 K CB -2.001 30.506 32.500 0.012 0.000 1.256 307 K HN 0.327 nan 8.250 nan 0.000 0.497 308 L N 1.788 123.022 121.223 0.020 0.000 2.416 308 L HA 0.070 4.409 4.340 -0.001 0.000 0.272 308 L C 0.872 177.743 176.870 0.002 0.000 1.161 308 L CA 0.769 55.620 54.840 0.018 0.000 0.845 308 L CB 0.668 42.752 42.059 0.043 0.000 1.119 308 L HN 0.086 nan 8.230 nan 0.000 0.464 309 Q N 2.134 121.929 119.800 -0.008 0.000 2.267 309 Q HA 0.235 4.574 4.340 -0.001 0.000 0.255 309 Q C 0.044 176.027 176.000 -0.029 0.000 0.923 309 Q CA -0.280 55.513 55.803 -0.017 0.000 0.925 309 Q CB 0.554 29.280 28.738 -0.020 0.000 1.195 309 Q HN 0.501 nan 8.270 nan 0.000 0.417 310 D N 0.968 121.352 120.400 -0.026 0.000 2.699 310 D HA -0.179 4.460 4.640 -0.001 0.000 0.239 310 D C -1.269 175.006 176.300 -0.043 0.000 1.136 310 D CA 0.073 54.053 54.000 -0.034 0.000 0.668 310 D CB -0.950 39.822 40.800 -0.046 0.000 1.060 310 D HN 0.573 nan 8.370 nan 0.000 0.429 311 C N 0.450 119.731 119.300 -0.033 0.000 2.653 311 C HA 0.423 4.882 4.460 -0.001 0.000 0.421 311 C C 0.996 175.968 174.990 -0.030 0.000 1.334 311 C CA 0.122 59.114 59.018 -0.042 0.000 1.885 311 C CB 0.415 28.137 27.740 -0.031 0.000 2.645 311 C HN 0.406 nan 8.230 nan 0.000 0.601 312 T N 6.072 120.599 114.554 -0.045 0.000 2.840 312 T HA 0.440 4.790 4.350 -0.001 0.000 0.287 312 T C -0.269 174.436 174.700 0.009 0.000 0.991 312 T CA -0.279 61.829 62.100 0.013 0.000 0.964 312 T CB 0.827 69.685 68.868 -0.016 0.000 0.954 312 T HN 0.527 nan 8.240 nan 0.000 0.438 313 M N 3.113 122.756 119.600 0.073 0.000 2.478 313 M HA 0.606 5.085 4.480 -0.001 0.000 0.327 313 M C -1.053 175.344 176.300 0.163 0.000 1.187 313 M CA -1.073 54.257 55.300 0.050 0.000 1.022 313 M CB 1.660 34.270 32.600 0.016 0.000 1.629 313 M HN 0.325 nan 8.290 nan 0.000 0.461 314 L N 2.616 123.900 121.223 0.101 0.000 2.404 314 L HA 0.627 4.967 4.340 -0.001 0.000 0.272 314 L C -1.457 175.424 176.870 0.018 0.000 0.980 314 L CA -0.439 54.470 54.840 0.115 0.000 0.836 314 L CB 1.754 43.915 42.059 0.169 0.000 1.238 314 L HN 0.474 nan 8.230 nan 0.000 0.408 315 V N 4.311 124.221 119.914 -0.006 0.000 2.588 315 V HA 0.601 4.721 4.120 -0.001 0.000 0.304 315 V C -0.812 175.140 176.094 -0.236 0.000 1.042 315 V CA -0.633 61.645 62.300 -0.037 0.000 0.877 315 V CB 2.017 33.913 31.823 0.120 0.000 0.996 315 V HN 0.791 nan 8.190 nan 0.000 0.425 316 N N 3.394 121.896 118.700 -0.329 0.000 2.577 316 N HA 0.616 5.355 4.740 -0.001 0.000 0.275 316 N C 0.502 175.893 175.510 -0.199 0.000 1.091 316 N CA 0.545 53.183 53.050 -0.687 0.000 0.843 316 N CB 1.808 39.731 38.487 -0.941 0.000 1.295 316 N HN 1.071 nan 8.380 nan 0.000 0.530 317 G N 2.557 111.402 108.800 0.076 0.000 2.634 317 G HA2 -0.427 3.532 3.960 -0.001 0.000 0.309 317 G HA3 -0.427 3.532 3.960 -0.001 0.000 0.309 317 G C 0.699 175.451 174.900 -0.246 0.000 1.265 317 G CA 0.935 46.045 45.100 0.016 0.000 0.998 317 G HN 0.662 nan 8.290 nan 0.000 0.551 318 D N 1.059 121.194 120.400 -0.443 0.000 2.371 318 D HA 0.042 4.681 4.640 -0.001 0.000 0.221 318 D C 0.624 176.772 176.300 -0.253 0.000 0.986 318 D CA 1.215 54.759 54.000 -0.761 0.000 0.899 318 D CB -0.169 40.173 40.800 -0.763 0.000 0.902 318 D HN 0.451 nan 8.370 nan 0.000 0.530 319 D N 0.166 120.484 120.400 -0.136 0.000 2.277 319 D HA 0.312 4.951 4.640 -0.001 0.000 0.249 319 D C -1.009 175.271 176.300 -0.033 0.000 1.134 319 D CA -0.570 53.400 54.000 -0.050 0.000 0.863 319 D CB 1.060 41.827 40.800 -0.056 0.000 1.143 319 D HN 0.064 nan 8.370 nan 0.000 0.458 320 L N 4.718 125.965 121.223 0.041 0.000 2.409 320 L HA 0.414 4.753 4.340 -0.001 0.000 0.272 320 L C -1.645 175.228 176.870 0.005 0.000 0.980 320 L CA -0.573 54.301 54.840 0.057 0.000 0.826 320 L CB 1.946 44.110 42.059 0.176 0.000 1.268 320 L HN 0.107 nan 8.230 nan 0.000 0.407 321 V N 5.470 125.339 119.914 -0.075 0.000 2.555 321 V HA 0.677 4.797 4.120 -0.001 0.000 0.302 321 V C -0.641 175.267 176.094 -0.310 0.000 1.038 321 V CA -0.591 61.600 62.300 -0.182 0.000 0.887 321 V CB 2.133 33.892 31.823 -0.106 0.000 0.991 321 V HN 0.545 nan 8.190 nan 0.000 0.434 322 V N 6.094 125.617 119.914 -0.651 0.000 2.604 322 V HA 0.585 4.704 4.120 -0.001 0.000 0.305 322 V C -0.474 175.339 176.094 -0.468 0.000 1.043 322 V CA -0.495 61.417 62.300 -0.646 0.000 0.888 322 V CB 1.975 33.159 31.823 -1.065 0.000 0.995 322 V HN 0.681 nan 8.190 nan 0.000 0.429 323 I N 4.662 125.090 120.570 -0.237 0.000 2.465 323 I HA 0.725 4.894 4.170 -0.001 0.000 0.291 323 I C -0.146 175.881 176.117 -0.150 0.000 1.014 323 I CA -0.344 60.866 61.300 -0.150 0.000 1.093 323 I CB 1.778 39.731 38.000 -0.079 0.000 1.267 323 I HN 0.890 nan 8.210 nan 0.000 0.431 324 C N 1.952 121.160 119.300 -0.153 0.000 3.340 324 C HA 0.621 5.080 4.460 -0.001 0.000 0.333 324 C C -0.312 174.584 174.990 -0.156 0.000 1.464 324 C CA -0.924 58.020 59.018 -0.123 0.000 1.337 324 C CB 1.417 29.124 27.740 -0.056 0.000 1.740 324 C HN 0.720 nan 8.230 nan 0.000 0.450 325 E N 1.641 121.774 120.200 -0.112 0.000 2.220 325 E HA 0.357 4.707 4.350 -0.001 0.000 0.272 325 E C 0.354 176.918 176.600 -0.060 0.000 1.099 325 E CA 0.597 56.935 56.400 -0.102 0.000 0.907 325 E CB 0.620 30.275 29.700 -0.074 0.000 1.022 325 E HN 0.774 nan 8.360 nan 0.000 0.428 326 S N 3.213 118.884 115.700 -0.050 0.000 2.552 326 S HA 0.164 4.633 4.470 -0.001 0.000 0.289 326 S C 0.641 175.251 174.600 0.016 0.000 1.304 326 S CA 0.309 58.528 58.200 0.033 0.000 1.063 326 S CB 0.470 63.744 63.200 0.123 0.000 0.848 326 S HN 0.568 nan 8.310 nan 0.000 0.499 327 A N 3.886 126.724 122.820 0.029 0.000 2.423 327 A HA 0.621 4.940 4.320 -0.001 0.000 0.246 327 A C 0.984 178.574 177.584 0.010 0.000 1.278 327 A CA 0.290 52.334 52.037 0.011 0.000 0.903 327 A CB -0.979 18.026 19.000 0.009 0.000 0.997 327 A HN 1.928 nan 8.150 nan 0.000 0.510 328 G N -1.853 106.959 108.800 0.019 0.000 2.650 328 G HA2 0.061 4.021 3.960 -0.001 0.000 0.686 328 G HA3 0.061 4.021 3.960 -0.001 0.000 0.686 328 G C 0.620 175.536 174.900 0.025 0.000 1.205 328 G CA -0.016 45.081 45.100 -0.005 0.000 0.781 328 G HN 1.203 nan 8.290 nan 0.000 0.648 329 V N 0.732 120.628 119.914 -0.029 0.000 2.407 329 V HA -0.132 3.987 4.120 -0.001 0.000 0.248 329 V C 2.437 178.561 176.094 0.050 0.000 1.055 329 V CA 3.033 65.341 62.300 0.013 0.000 1.049 329 V CB -0.219 31.535 31.823 -0.114 0.000 0.662 329 V HN 0.757 nan 8.190 nan 0.000 0.455 330 Q N -0.080 119.729 119.800 0.015 0.000 2.083 330 Q HA -0.164 4.175 4.340 -0.001 0.000 0.198 330 Q C 2.175 178.185 176.000 0.016 0.000 0.969 330 Q CA 2.048 57.859 55.803 0.014 0.000 0.838 330 Q CB -0.236 28.503 28.738 0.001 0.000 0.900 330 Q HN 0.802 nan 8.270 nan 0.000 0.436 331 E N 0.944 121.153 120.200 0.015 0.000 2.077 331 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 331 E C 1.690 178.299 176.600 0.015 0.000 0.989 331 E CA 1.246 57.654 56.400 0.013 0.000 0.800 331 E CB -0.135 29.571 29.700 0.010 0.000 0.746 331 E HN 0.274 nan 8.360 nan 0.000 0.452 332 D N 0.535 120.959 120.400 0.040 0.000 2.106 332 D HA -0.191 4.448 4.640 -0.001 0.000 0.191 332 D C 1.930 178.224 176.300 -0.011 0.000 0.997 332 D CA 1.763 55.784 54.000 0.036 0.000 0.834 332 D CB -0.559 40.326 40.800 0.142 0.000 0.956 332 D HN 0.224 nan 8.370 nan 0.000 0.448 333 A N 0.882 123.712 122.820 0.018 0.000 1.940 333 A HA -0.085 4.234 4.320 -0.001 0.000 0.219 333 A C 2.289 179.856 177.584 -0.029 0.000 1.176 333 A CA 2.480 54.510 52.037 -0.012 0.000 0.631 333 A CB -0.712 18.297 19.000 0.015 0.000 0.814 333 A HN 0.260 nan 8.150 nan 0.000 0.446 334 A N -0.870 121.941 122.820 -0.014 0.000 1.855 334 A HA -0.033 4.286 4.320 -0.001 0.000 0.215 334 A C 2.427 180.001 177.584 -0.017 0.000 1.191 334 A CA 1.898 53.928 52.037 -0.011 0.000 0.613 334 A CB -1.050 17.948 19.000 -0.003 0.000 0.829 334 A HN 0.431 nan 8.150 nan 0.000 0.442 335 S N 0.029 115.716 115.700 -0.022 0.000 2.381 335 S HA -0.209 4.260 4.470 -0.001 0.000 0.230 335 S C 1.833 176.404 174.600 -0.049 0.000 1.052 335 S CA 1.744 59.929 58.200 -0.025 0.000 1.068 335 S CB -0.588 62.593 63.200 -0.032 0.000 0.918 335 S HN 0.495 nan 8.310 nan 0.000 0.448 336 L N 0.491 121.624 121.223 -0.149 0.000 2.079 336 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 336 L C 2.663 179.515 176.870 -0.030 0.000 1.081 336 L CA 1.414 56.113 54.840 -0.235 0.000 0.752 336 L CB -0.540 41.291 42.059 -0.381 0.000 0.896 336 L HN 0.281 nan 8.230 nan 0.000 0.433 337 R N -0.675 119.815 120.500 -0.017 0.000 2.096 337 R HA -0.114 4.225 4.340 -0.001 0.000 0.235 337 R C 2.240 178.559 176.300 0.032 0.000 1.127 337 R CA 1.045 57.155 56.100 0.017 0.000 0.968 337 R CB -0.295 30.006 30.300 0.003 0.000 0.861 337 R HN 0.176 nan 8.270 nan 0.000 0.440 338 V N 0.411 120.343 119.914 0.030 0.000 2.358 338 V HA -0.224 3.896 4.120 -0.001 0.000 0.246 338 V C 1.853 177.966 176.094 0.032 0.000 1.047 338 V CA 1.593 63.906 62.300 0.022 0.000 1.035 338 V CB -0.552 31.285 31.823 0.023 0.000 0.658 338 V HN 0.221 nan 8.190 nan 0.000 0.452 339 F N 1.648 121.551 119.950 -0.079 0.000 2.095 339 F HA -0.258 4.268 4.527 -0.001 0.000 0.298 339 F C 2.453 178.199 175.800 -0.090 0.000 1.104 339 F CA 2.458 60.407 58.000 -0.085 0.000 1.232 339 F CB -0.601 38.337 39.000 -0.103 0.000 0.987 339 F HN 0.112 nan 8.300 nan 0.000 0.475 340 T N -0.007 114.630 114.554 0.138 0.000 2.746 340 T HA -0.200 4.149 4.350 -0.001 0.000 0.267 340 T C 1.704 176.386 174.700 -0.030 0.000 1.039 340 T CA 1.765 63.946 62.100 0.135 0.000 1.142 340 T CB -0.356 68.665 68.868 0.256 0.000 0.866 340 T HN 0.377 nan 8.240 nan 0.000 0.444 341 E N 1.004 121.172 120.200 -0.054 0.000 2.058 341 E HA -0.106 4.243 4.350 -0.001 0.000 0.194 341 E C 2.534 179.000 176.600 -0.223 0.000 0.997 341 E CA 1.139 57.478 56.400 -0.102 0.000 0.801 341 E CB -0.247 29.408 29.700 -0.074 0.000 0.746 341 E HN 0.481 nan 8.360 nan 0.000 0.450 342 A N 1.050 123.687 122.820 -0.306 0.000 1.877 342 A HA -0.199 4.121 4.320 -0.001 0.000 0.216 342 A C 2.157 179.324 177.584 -0.694 0.000 1.186 342 A CA 1.328 53.033 52.037 -0.553 0.000 0.620 342 A CB -0.364 18.372 19.000 -0.441 0.000 0.822 342 A HN 0.127 nan 8.150 nan 0.000 0.443 343 M N -0.185 119.110 119.600 -0.508 0.000 2.082 343 M HA -0.142 4.337 4.480 -0.001 0.000 0.258 343 M C 2.200 178.426 176.300 -0.122 0.000 1.069 343 M CA 2.229 57.338 55.300 -0.318 0.000 1.102 343 M CB -1.952 30.359 32.600 -0.481 0.000 1.336 343 M HN 0.477 nan 8.290 nan 0.000 0.404 344 T N -0.157 114.327 114.554 -0.118 0.000 2.777 344 T HA -0.091 4.258 4.350 -0.001 0.000 0.266 344 T C 1.948 176.590 174.700 -0.097 0.000 1.040 344 T CA 1.022 63.089 62.100 -0.055 0.000 1.141 344 T CB -0.209 68.633 68.868 -0.044 0.000 0.868 344 T HN 0.373 nan 8.240 nan 0.000 0.444 345 R N 0.110 120.485 120.500 -0.209 0.000 2.127 345 R HA -0.080 4.259 4.340 -0.001 0.000 0.238 345 R C 1.707 177.940 176.300 -0.112 0.000 1.134 345 R CA 1.175 57.152 56.100 -0.205 0.000 0.975 345 R CB -0.320 29.785 30.300 -0.324 0.000 0.865 345 R HN 0.433 nan 8.270 nan 0.000 0.447 346 Y N -0.050 120.193 120.300 -0.095 0.000 2.529 346 Y HA 0.001 4.551 4.550 -0.001 0.000 0.290 346 Y C 1.293 177.140 175.900 -0.088 0.000 1.177 346 Y CA 0.258 58.289 58.100 -0.115 0.000 1.305 346 Y CB -0.105 38.308 38.460 -0.078 0.000 1.047 346 Y HN 0.121 nan 8.280 nan 0.000 0.522 347 S N -1.511 114.224 115.700 0.059 0.000 2.872 347 S HA -0.160 4.309 4.470 -0.001 0.000 0.270 347 S C 0.123 174.743 174.600 0.034 0.000 1.345 347 S CA 0.472 58.692 58.200 0.034 0.000 1.080 347 S CB -1.676 61.535 63.200 0.019 0.000 1.328 347 S HN 0.668 nan 8.310 nan 0.000 0.692 348 A N 1.709 124.565 122.820 0.061 0.000 3.165 348 A HA 0.670 4.990 4.320 -0.001 0.000 0.331 348 A C -2.261 175.444 177.584 0.201 0.000 1.034 348 A CA -1.159 50.944 52.037 0.110 0.000 0.906 348 A CB 0.615 19.706 19.000 0.152 0.000 1.054 348 A HN 0.457 nan 8.150 nan 0.000 0.484 349 P HA 0.291 nan 4.420 nan 0.000 0.274 349 P C -2.889 174.470 177.300 0.098 0.000 1.231 349 P CA -1.283 61.879 63.100 0.104 0.000 0.790 349 P CB 0.551 32.245 31.700 -0.011 0.000 0.951 350 P HA 0.094 nan 4.420 nan 0.000 0.277 350 P C 0.831 178.058 177.300 -0.121 0.000 1.240 350 P CA 0.030 63.008 63.100 -0.205 0.000 0.798 350 P CB 0.788 32.323 31.700 -0.275 0.000 0.979 351 G N 1.671 110.393 108.800 -0.130 0.000 2.456 351 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.213 351 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.213 351 G C 0.046 174.903 174.900 -0.072 0.000 1.215 351 G CA 0.450 45.508 45.100 -0.069 0.000 0.805 351 G HN 0.462 nan 8.290 nan 0.000 0.537 352 D N 0.944 121.291 120.400 -0.089 0.000 2.192 352 D HA 0.414 5.053 4.640 -0.001 0.000 0.246 352 D C -2.477 173.772 176.300 -0.084 0.000 1.042 352 D CA -1.214 52.747 54.000 -0.066 0.000 0.847 352 D CB 1.961 42.734 40.800 -0.046 0.000 1.186 352 D HN -0.005 nan 8.370 nan 0.000 0.461 353 P HA 0.199 nan 4.420 nan 0.000 0.271 353 P C -2.395 174.897 177.300 -0.014 0.000 1.216 353 P CA -1.084 62.000 63.100 -0.027 0.000 0.776 353 P CB -0.259 31.437 31.700 -0.006 0.000 0.881 354 P HA 0.086 nan 4.420 nan 0.000 0.271 354 P C -0.817 176.478 177.300 -0.010 0.000 1.218 354 P CA 0.084 63.216 63.100 0.053 0.000 0.780 354 P CB 0.817 32.601 31.700 0.139 0.000 0.901 355 Q N 3.001 122.810 119.800 0.016 0.000 2.340 355 Q HA 0.424 4.764 4.340 -0.001 0.000 0.268 355 Q C -2.609 173.392 176.000 0.002 0.000 1.031 355 Q CA -2.404 53.399 55.803 0.000 0.000 0.804 355 Q CB 2.038 30.789 28.738 0.021 0.000 1.286 355 Q HN 0.263 nan 8.270 nan 0.000 0.448 356 P HA 0.124 nan 4.420 nan 0.000 0.271 356 P C -1.159 176.048 177.300 -0.155 0.000 1.216 356 P CA 0.026 63.057 63.100 -0.115 0.000 0.771 356 P CB 0.787 32.402 31.700 -0.141 0.000 0.864 357 E N 1.979 122.046 120.200 -0.221 0.000 2.238 357 E HA 0.230 4.579 4.350 -0.001 0.000 0.267 357 E C -0.493 175.963 176.600 -0.239 0.000 0.887 357 E CA -0.414 55.906 56.400 -0.133 0.000 0.769 357 E CB 1.421 31.120 29.700 -0.001 0.000 1.187 357 E HN 0.447 nan 8.360 nan 0.000 0.416 358 Y N -0.301 120.165 120.300 0.277 0.000 2.531 358 Y HA 0.169 4.718 4.550 -0.001 0.000 0.249 358 Y C 0.354 176.528 175.900 0.456 0.000 1.168 358 Y CA -0.420 57.925 58.100 0.409 0.000 1.226 358 Y CB 1.008 39.588 38.460 0.200 0.000 1.177 358 Y HN 0.239 nan 8.280 nan 0.000 0.527 359 D N 0.687 121.225 120.400 0.229 0.000 2.471 359 D HA 0.101 4.740 4.640 -0.001 0.000 0.245 359 D C 0.790 176.802 176.300 -0.481 0.000 1.116 359 D CA -0.324 53.639 54.000 -0.062 0.000 0.853 359 D CB 1.656 42.452 40.800 -0.007 0.000 1.123 359 D HN 0.138 nan 8.370 nan 0.000 0.540 360 L N 4.455 125.006 121.223 -1.120 0.000 2.089 360 L HA -0.156 4.184 4.340 -0.001 0.000 0.213 360 L C 1.563 178.107 176.870 -0.543 0.000 1.079 360 L CA 1.973 56.087 54.840 -1.211 0.000 0.758 360 L CB -0.251 40.919 42.059 -1.482 0.000 0.891 360 L HN 0.506 nan 8.230 nan 0.000 0.433 361 E N -0.748 119.233 120.200 -0.364 0.000 2.418 361 E HA -0.115 4.234 4.350 -0.001 0.000 0.197 361 E C 1.742 178.251 176.600 -0.153 0.000 1.026 361 E CA 0.696 56.970 56.400 -0.210 0.000 0.862 361 E CB -0.147 29.470 29.700 -0.140 0.000 0.799 361 E HN 0.571 nan 8.360 nan 0.000 0.518 362 L N 0.816 121.946 121.223 -0.155 0.000 2.607 362 L HA 0.250 4.589 4.340 -0.001 0.000 0.228 362 L C 0.642 177.463 176.870 -0.081 0.000 1.123 362 L CA -0.166 54.621 54.840 -0.089 0.000 0.890 362 L CB 0.109 42.138 42.059 -0.050 0.000 1.103 362 L HN 0.016 nan 8.230 nan 0.000 0.468 363 I N 0.366 120.862 120.570 -0.122 0.000 2.342 363 I HA 0.136 4.306 4.170 -0.001 0.000 0.291 363 I C 0.012 176.089 176.117 -0.068 0.000 1.010 363 I CA 0.204 61.455 61.300 -0.083 0.000 1.308 363 I CB 1.358 39.296 38.000 -0.104 0.000 1.400 363 I HN -0.071 nan 8.210 nan 0.000 0.488 364 T N 5.061 119.594 114.554 -0.034 0.000 2.770 364 T HA 0.481 4.830 4.350 -0.001 0.000 0.283 364 T C -0.298 174.399 174.700 -0.005 0.000 0.988 364 T CA -0.636 61.453 62.100 -0.019 0.000 0.957 364 T CB 1.026 69.887 68.868 -0.012 0.000 0.930 364 T HN 0.733 nan 8.240 nan 0.000 0.443 365 S N 0.678 116.377 115.700 -0.001 0.000 2.540 365 S HA 0.453 4.922 4.470 -0.001 0.000 0.275 365 S C 0.082 174.695 174.600 0.022 0.000 1.123 365 S CA -0.854 57.348 58.200 0.003 0.000 0.907 365 S CB 0.669 63.858 63.200 -0.020 0.000 1.081 365 S HN 0.914 nan 8.310 nan 0.000 0.476 366 C N 1.786 121.103 119.300 0.028 0.000 4.350 366 C HA -0.165 4.294 4.460 -0.001 0.000 0.302 366 C C 1.333 176.390 174.990 0.112 0.000 1.390 366 C CA 0.606 59.663 59.018 0.064 0.000 2.016 366 C CB -3.330 24.439 27.740 0.049 0.000 1.271 366 C HN 1.646 nan 8.230 nan 0.000 0.760 367 S N -1.599 114.148 115.700 0.078 0.000 3.445 367 S HA -0.202 4.268 4.470 -0.001 0.000 0.319 367 S C 0.296 174.928 174.600 0.053 0.000 1.209 367 S CA 1.295 59.532 58.200 0.062 0.000 0.934 367 S CB -0.807 62.436 63.200 0.072 0.000 0.999 367 S HN 1.046 nan 8.310 nan 0.000 0.582 368 S N 1.608 117.354 115.700 0.076 0.000 2.627 368 S HA 0.790 5.259 4.470 -0.001 0.000 0.283 368 S C -0.489 174.137 174.600 0.044 0.000 1.127 368 S CA -0.909 57.355 58.200 0.106 0.000 0.863 368 S CB 1.941 65.290 63.200 0.247 0.000 1.121 368 S HN 0.601 nan 8.310 nan 0.000 0.479 369 N N -0.712 118.003 118.700 0.025 0.000 2.484 369 N HA 0.364 5.103 4.740 -0.001 0.000 0.269 369 N C -1.545 173.910 175.510 -0.092 0.000 1.237 369 N CA -0.570 52.452 53.050 -0.047 0.000 0.838 369 N CB 0.997 39.445 38.487 -0.066 0.000 1.593 369 N HN 0.336 nan 8.380 nan 0.000 0.485 370 V N 0.538 120.371 119.914 -0.136 0.000 2.715 370 V HA 0.412 4.532 4.120 -0.001 0.000 0.299 370 V C 0.581 176.546 176.094 -0.214 0.000 1.054 370 V CA 0.183 62.380 62.300 -0.172 0.000 1.077 370 V CB 0.933 32.658 31.823 -0.163 0.000 0.972 370 V HN 0.853 nan 8.190 nan 0.000 0.484 371 S N 2.357 117.846 115.700 -0.351 0.000 2.671 371 S HA 0.766 5.235 4.470 -0.001 0.000 0.277 371 S C -1.317 173.115 174.600 -0.279 0.000 1.165 371 S CA -0.334 57.672 58.200 -0.323 0.000 0.822 371 S CB 2.010 64.960 63.200 -0.417 0.000 1.150 371 S HN 0.826 nan 8.310 nan 0.000 0.479 372 V N 0.972 120.821 119.914 -0.109 0.000 2.914 372 V HA 1.028 5.147 4.120 -0.001 0.000 0.314 372 V C -0.334 175.749 176.094 -0.018 0.000 1.084 372 V CA 0.323 62.518 62.300 -0.175 0.000 0.963 372 V CB 1.270 32.798 31.823 -0.492 0.000 1.025 372 V HN 1.416 nan 8.190 nan 0.000 0.432 373 A N 4.206 126.879 122.820 -0.244 0.000 2.535 373 A HA 0.860 5.179 4.320 -0.001 0.000 0.296 373 A C -1.324 175.804 177.584 -0.760 0.000 1.248 373 A CA -0.633 51.125 52.037 -0.466 0.000 0.686 373 A CB 1.656 20.183 19.000 -0.789 0.000 1.315 373 A HN 0.983 nan 8.150 nan 0.000 0.460 374 H N 0.553 119.289 119.070 -0.557 0.000 2.600 374 H HA 0.372 4.927 4.556 -0.001 0.000 0.357 374 H C -1.018 174.053 175.328 -0.428 0.000 1.106 374 H CA -0.359 55.395 56.048 -0.491 0.000 1.193 374 H CB 1.795 31.203 29.762 -0.590 0.000 1.594 374 H HN 0.918 nan 8.280 nan 0.000 0.526 375 D N 1.082 121.415 120.400 -0.112 0.000 2.380 375 D HA 0.113 4.753 4.640 -0.001 0.000 0.254 375 D C 1.397 177.792 176.300 0.158 0.000 1.288 375 D CA -0.207 53.794 54.000 0.001 0.000 1.008 375 D CB 0.384 41.180 40.800 -0.006 0.000 1.099 375 D HN 0.457 nan 8.370 nan 0.000 0.537 376 A N -0.120 122.785 122.820 0.141 0.000 1.892 376 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 376 A C 2.122 179.772 177.584 0.111 0.000 1.188 376 A CA 2.191 54.303 52.037 0.125 0.000 0.631 376 A CB -1.222 17.821 19.000 0.071 0.000 0.822 376 A HN 0.511 nan 8.150 nan 0.000 0.447 377 S N -1.275 114.474 115.700 0.081 0.000 2.595 377 S HA 0.271 4.740 4.470 -0.001 0.000 0.235 377 S C 1.538 176.184 174.600 0.077 0.000 0.974 377 S CA 1.093 59.331 58.200 0.063 0.000 0.942 377 S CB -0.452 62.774 63.200 0.044 0.000 0.766 377 S HN 1.697 nan 8.310 nan 0.000 0.536 378 G N 1.802 110.676 108.800 0.123 0.000 2.184 378 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.264 378 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.264 378 G C 0.141 175.129 174.900 0.146 0.000 0.975 378 G CA 0.644 45.809 45.100 0.109 0.000 0.642 378 G HN 0.609 nan 8.290 nan 0.000 0.536 379 K N 0.883 121.335 120.400 0.087 0.000 2.326 379 K HA 0.448 4.768 4.320 -0.001 0.000 0.275 379 K C 0.806 177.374 176.600 -0.053 0.000 1.018 379 K CA -0.735 55.578 56.287 0.044 0.000 0.962 379 K CB 0.342 32.847 32.500 0.008 0.000 0.953 379 K HN 0.262 nan 8.250 nan 0.000 0.475 380 R N 1.941 122.352 120.500 -0.148 0.000 2.502 380 R HA 0.058 4.397 4.340 -0.001 0.000 0.292 380 R C -0.838 175.246 176.300 -0.359 0.000 0.998 380 R CA -0.021 55.828 56.100 -0.418 0.000 1.056 380 R CB 0.476 30.558 30.300 -0.362 0.000 0.939 380 R HN 0.317 nan 8.270 nan 0.000 0.411 381 V N 5.273 124.914 119.914 -0.455 0.000 2.531 381 V HA 0.242 4.362 4.120 -0.001 0.000 0.301 381 V C -0.883 175.018 176.094 -0.322 0.000 1.034 381 V CA -0.929 61.206 62.300 -0.275 0.000 0.865 381 V CB 1.388 33.108 31.823 -0.171 0.000 0.995 381 V HN 0.571 nan 8.190 nan 0.000 0.424 382 Y N 5.119 125.414 120.300 -0.009 0.000 2.299 382 Y HA 0.627 5.176 4.550 -0.001 0.000 0.326 382 Y C 0.066 176.031 175.900 0.109 0.000 1.164 382 Y CA -0.130 57.971 58.100 0.002 0.000 1.234 382 Y CB 0.989 39.405 38.460 -0.072 0.000 1.219 382 Y HN 0.737 nan 8.280 nan 0.000 0.497 383 Y N 0.083 120.438 120.300 0.091 0.000 2.625 383 Y HA 0.668 5.218 4.550 -0.001 0.000 0.338 383 Y C -2.165 173.796 175.900 0.102 0.000 1.123 383 Y CA -2.051 56.091 58.100 0.070 0.000 1.046 383 Y CB 0.665 39.140 38.460 0.025 0.000 1.299 383 Y HN 0.452 nan 8.280 nan 0.000 0.464 384 L N 2.131 123.431 121.223 0.129 0.000 2.276 384 L HA 0.709 5.048 4.340 -0.001 0.000 0.286 384 L C 0.077 177.146 176.870 0.331 0.000 1.061 384 L CA 0.407 55.320 54.840 0.122 0.000 0.807 384 L CB 1.305 43.473 42.059 0.181 0.000 1.177 384 L HN 1.022 nan 8.230 nan 0.000 0.429 385 T N 4.396 119.071 114.554 0.202 0.000 2.742 385 T HA 0.872 5.222 4.350 -0.001 0.000 0.282 385 T C -1.051 173.731 174.700 0.138 0.000 1.025 385 T CA -0.636 61.653 62.100 0.315 0.000 1.020 385 T CB 1.143 70.193 68.868 0.303 0.000 1.317 385 T HN 0.813 nan 8.240 nan 0.000 0.538 386 R N 0.460 120.987 120.500 0.045 0.000 2.733 386 R HA 0.453 4.792 4.340 -0.001 0.000 0.272 386 R C -1.431 174.669 176.300 -0.333 0.000 1.029 386 R CA -1.003 54.992 56.100 -0.174 0.000 0.888 386 R CB 0.460 30.567 30.300 -0.321 0.000 1.251 386 R HN 0.549 nan 8.270 nan 0.000 0.464 387 D N 1.903 122.121 120.400 -0.304 0.000 2.458 387 D HA 0.044 4.683 4.640 -0.001 0.000 0.243 387 D C -1.421 174.494 176.300 -0.640 0.000 1.146 387 D CA -1.211 52.568 54.000 -0.368 0.000 0.877 387 D CB 1.258 41.930 40.800 -0.214 0.000 1.176 387 D HN 0.365 nan 8.370 nan 0.000 0.461 388 P HA 0.041 nan 4.420 nan 0.000 0.257 388 P C 1.010 178.006 177.300 -0.507 0.000 1.281 388 P CA 0.039 62.491 63.100 -1.080 0.000 0.826 388 P CB 0.342 31.313 31.700 -1.215 0.000 1.237 389 T N -0.476 113.889 114.554 -0.314 0.000 2.708 389 T HA -0.103 4.246 4.350 -0.001 0.000 0.266 389 T C 1.737 176.377 174.700 -0.099 0.000 1.037 389 T CA 2.164 64.176 62.100 -0.147 0.000 1.146 389 T CB -0.946 67.876 68.868 -0.076 0.000 0.865 389 T HN 0.196 nan 8.240 nan 0.000 0.435 390 T N 2.194 116.685 114.554 -0.105 0.000 2.737 390 T HA -0.029 4.320 4.350 -0.001 0.000 0.265 390 T C -0.558 174.096 174.700 -0.076 0.000 1.038 390 T CA 0.986 63.050 62.100 -0.060 0.000 1.144 390 T CB -1.245 67.621 68.868 -0.003 0.000 0.866 390 T HN 0.311 nan 8.240 nan 0.000 0.434 391 P HA -0.049 nan 4.420 nan 0.000 0.216 391 P C 1.423 178.760 177.300 0.062 0.000 1.154 391 P CA 1.041 64.140 63.100 -0.002 0.000 0.865 391 P CB -0.210 31.458 31.700 -0.054 0.000 0.789 392 L N -1.621 119.597 121.223 -0.009 0.000 2.109 392 L HA -0.079 4.260 4.340 -0.001 0.000 0.207 392 L C 2.521 179.437 176.870 0.078 0.000 1.086 392 L CA 1.243 56.111 54.840 0.045 0.000 0.760 392 L CB -1.228 40.824 42.059 -0.011 0.000 0.910 392 L HN -0.073 nan 8.230 nan 0.000 0.437 393 A N 0.634 123.484 122.820 0.050 0.000 1.892 393 A HA -0.239 4.081 4.320 -0.001 0.000 0.218 393 A C 2.417 180.076 177.584 0.124 0.000 1.188 393 A CA 1.795 53.879 52.037 0.079 0.000 0.631 393 A CB -0.515 18.501 19.000 0.028 0.000 0.822 393 A HN 0.339 nan 8.150 nan 0.000 0.447 394 R N -0.699 119.846 120.500 0.076 0.000 2.092 394 R HA -0.015 4.324 4.340 -0.001 0.000 0.231 394 R C 2.477 178.932 176.300 0.259 0.000 1.119 394 R CA 1.059 57.224 56.100 0.108 0.000 0.970 394 R CB -0.468 29.835 30.300 0.005 0.000 0.864 394 R HN 0.519 nan 8.270 nan 0.000 0.440 395 A N 1.508 124.504 122.820 0.294 0.000 1.902 395 A HA -0.130 4.189 4.320 -0.001 0.000 0.217 395 A C 2.398 180.234 177.584 0.420 0.000 1.181 395 A CA 1.701 54.028 52.037 0.483 0.000 0.623 395 A CB -0.616 18.708 19.000 0.540 0.000 0.818 395 A HN 0.389 nan 8.150 nan 0.000 0.443 396 A N -1.297 121.675 122.820 0.254 0.000 1.877 396 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 396 A C 2.110 179.819 177.584 0.208 0.000 1.186 396 A CA 1.448 53.593 52.037 0.180 0.000 0.620 396 A CB -0.911 18.178 19.000 0.149 0.000 0.822 396 A HN 0.829 nan 8.150 nan 0.000 0.443 397 W N 0.915 122.267 121.300 0.087 0.000 2.338 397 W HA -0.158 4.502 4.660 -0.001 0.000 0.304 397 W C 1.721 178.293 176.519 0.089 0.000 1.212 397 W CA 2.013 59.393 57.345 0.058 0.000 1.264 397 W CB -0.328 29.147 29.460 0.024 0.000 1.142 397 W HN 0.552 nan 8.180 nan 0.000 0.512 398 E N -0.917 119.553 120.200 0.449 0.000 2.347 398 E HA -0.123 4.227 4.350 -0.001 0.000 0.196 398 E C 1.990 178.801 176.600 0.352 0.000 1.008 398 E CA 1.411 58.057 56.400 0.409 0.000 0.852 398 E CB -0.139 29.846 29.700 0.476 0.000 0.783 398 E HN 0.056 nan 8.360 nan 0.000 0.505 399 T N 0.269 115.021 114.554 0.330 0.000 2.788 399 T HA -0.124 4.225 4.350 -0.001 0.000 0.268 399 T C 1.725 176.446 174.700 0.035 0.000 1.044 399 T CA 1.344 63.571 62.100 0.211 0.000 1.139 399 T CB 0.016 68.999 68.868 0.193 0.000 0.867 399 T HN 0.223 nan 8.240 nan 0.000 0.454 400 A N 0.009 122.799 122.820 -0.049 0.000 2.288 400 A HA 0.349 4.669 4.320 -0.001 0.000 0.216 400 A C 0.856 178.311 177.584 -0.214 0.000 1.199 400 A CA -0.108 51.833 52.037 -0.160 0.000 0.891 400 A CB 0.516 19.374 19.000 -0.237 0.000 0.923 400 A HN 0.111 nan 8.150 nan 0.000 0.500 401 R N 0.257 120.649 120.500 -0.180 0.000 2.604 401 R HA 0.337 4.676 4.340 -0.001 0.000 0.281 401 R C -1.702 174.522 176.300 -0.127 0.000 1.020 401 R CA -0.526 55.479 56.100 -0.159 0.000 0.899 401 R CB 0.946 31.242 30.300 -0.008 0.000 1.205 401 R HN 0.507 nan 8.270 nan 0.000 0.450 402 H N 0.633 119.775 119.070 0.121 0.000 2.764 402 H HA 0.222 4.777 4.556 -0.001 0.000 0.341 402 H C 0.671 176.072 175.328 0.122 0.000 1.072 402 H CA 0.417 56.539 56.048 0.122 0.000 1.444 402 H CB 0.813 30.621 29.762 0.076 0.000 1.458 402 H HN 0.552 nan 8.280 nan 0.000 0.572 403 T N -0.199 114.483 114.554 0.213 0.000 2.930 403 T HA 0.269 4.618 4.350 -0.001 0.000 0.290 403 T C -1.732 172.995 174.700 0.046 0.000 1.052 403 T CA -2.077 60.099 62.100 0.127 0.000 1.017 403 T CB 1.596 70.536 68.868 0.120 0.000 1.137 403 T HN 0.267 nan 8.240 nan 0.000 0.511 404 P HA 0.131 nan 4.420 nan 0.000 0.218 404 P C -0.115 177.150 177.300 -0.059 0.000 1.149 404 P CA 0.380 63.437 63.100 -0.071 0.000 0.817 404 P CB 0.078 31.735 31.700 -0.071 0.000 0.785 405 V N 1.244 121.129 119.914 -0.049 0.000 2.487 405 V HA 0.224 4.343 4.120 -0.001 0.000 0.298 405 V C -0.148 175.893 176.094 -0.088 0.000 1.028 405 V CA -0.827 61.431 62.300 -0.069 0.000 0.860 405 V CB 1.709 33.493 31.823 -0.066 0.000 0.991 405 V HN -0.013 nan 8.190 nan 0.000 0.427 406 N N 3.085 121.679 118.700 -0.176 0.000 2.719 406 N HA 0.049 4.789 4.740 -0.001 0.000 0.243 406 N C 1.393 176.660 175.510 -0.405 0.000 1.104 406 N CA 0.206 53.054 53.050 -0.336 0.000 0.981 406 N CB 1.485 39.615 38.487 -0.594 0.000 1.290 406 N HN 0.839 nan 8.380 nan 0.000 0.513 407 S N 1.884 117.474 115.700 -0.183 0.000 2.399 407 S HA -0.122 4.347 4.470 -0.001 0.000 0.231 407 S C 1.895 176.458 174.600 -0.061 0.000 1.022 407 S CA 0.192 58.336 58.200 -0.092 0.000 0.983 407 S CB -0.427 62.768 63.200 -0.009 0.000 0.803 407 S HN 0.779 nan 8.310 nan 0.000 0.480 408 W N 1.370 122.586 121.300 -0.140 0.000 2.338 408 W HA -0.112 4.547 4.660 -0.001 0.000 0.304 408 W C 1.728 178.168 176.519 -0.131 0.000 1.212 408 W CA 0.664 57.875 57.345 -0.224 0.000 1.264 408 W CB -1.093 27.842 29.460 -0.874 0.000 1.142 408 W HN 0.376 nan 8.180 nan 0.000 0.512 409 L N 2.907 123.522 121.223 -1.013 0.000 2.056 409 L HA 0.145 4.484 4.340 -0.001 0.000 0.207 409 L C 2.671 179.367 176.870 -0.290 0.000 1.078 409 L CA 2.762 57.107 54.840 -0.826 0.000 0.749 409 L CB -1.409 39.892 42.059 -1.263 0.000 0.901 409 L HN 0.064 nan 8.230 nan 0.000 0.433 410 G N -0.656 107.998 108.800 -0.242 0.000 2.418 410 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.217 410 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.217 410 G C 1.452 176.376 174.900 0.041 0.000 1.158 410 G CA 0.739 45.780 45.100 -0.097 0.000 0.771 410 G HN 0.450 nan 8.290 nan 0.000 0.545 411 N N 0.642 119.426 118.700 0.140 0.000 2.166 411 N HA -0.032 4.707 4.740 -0.001 0.000 0.186 411 N C 2.230 177.882 175.510 0.236 0.000 1.019 411 N CA 0.699 53.950 53.050 0.335 0.000 0.856 411 N CB -0.170 38.593 38.487 0.460 0.000 0.993 411 N HN 0.340 nan 8.380 nan 0.000 0.426 412 I N 0.936 121.608 120.570 0.171 0.000 2.286 412 I HA -0.212 3.958 4.170 -0.001 0.000 0.248 412 I C 1.984 178.152 176.117 0.085 0.000 1.115 412 I CA 0.888 62.269 61.300 0.135 0.000 1.392 412 I CB -0.106 38.048 38.000 0.257 0.000 1.065 412 I HN 0.042 nan 8.210 nan 0.000 0.418 413 I N -0.283 120.341 120.570 0.090 0.000 2.233 413 I HA -0.253 3.916 4.170 -0.001 0.000 0.243 413 I C 2.434 178.642 176.117 0.152 0.000 1.093 413 I CA 1.072 62.447 61.300 0.125 0.000 1.380 413 I CB -0.229 37.830 38.000 0.099 0.000 1.067 413 I HN 0.182 nan 8.210 nan 0.000 0.413 414 M N -0.495 119.112 119.600 0.012 0.000 2.254 414 M HA -0.101 4.378 4.480 -0.001 0.000 0.265 414 M C 0.957 177.036 176.300 -0.369 0.000 1.066 414 M CA 1.703 56.886 55.300 -0.194 0.000 1.123 414 M CB -0.670 31.698 32.600 -0.385 0.000 1.388 414 M HN 0.208 nan 8.290 nan 0.000 0.425 415 Y N -0.801 119.503 120.300 0.008 0.000 2.734 415 Y HA 0.492 5.041 4.550 -0.001 0.000 0.278 415 Y C 1.750 177.394 175.900 -0.426 0.000 1.108 415 Y CA -0.318 57.673 58.100 -0.183 0.000 1.211 415 Y CB -0.927 37.394 38.460 -0.233 0.000 1.182 415 Y HN 0.139 nan 8.280 nan 0.000 0.547 416 A N 1.123 123.732 122.820 -0.351 0.000 1.927 416 A HA -0.186 4.134 4.320 -0.001 0.000 0.220 416 A C -0.391 176.921 177.584 -0.454 0.000 1.185 416 A CA 1.786 53.583 52.037 -0.399 0.000 0.639 416 A CB -1.428 17.326 19.000 -0.409 0.000 0.820 416 A HN 0.278 nan 8.150 nan 0.000 0.451 417 P HA 0.019 nan 4.420 nan 0.000 0.237 417 P C 0.586 177.637 177.300 -0.414 0.000 1.178 417 P CA 1.261 64.102 63.100 -0.432 0.000 0.766 417 P CB -0.485 30.987 31.700 -0.380 0.000 0.876 418 T N -2.705 111.594 114.554 -0.426 0.000 2.904 418 T HA 0.204 4.554 4.350 -0.001 0.000 0.290 418 T C 1.080 175.362 174.700 -0.696 0.000 1.018 418 T CA -0.754 61.042 62.100 -0.506 0.000 1.075 418 T CB 0.861 69.275 68.868 -0.756 0.000 0.986 418 T HN -0.127 nan 8.240 nan 0.000 0.523 419 L N 1.639 122.343 121.223 -0.865 0.000 2.083 419 L HA 0.070 4.409 4.340 -0.001 0.000 0.209 419 L C 2.231 178.803 176.870 -0.496 0.000 1.083 419 L CA 1.381 55.702 54.840 -0.865 0.000 0.752 419 L CB -0.904 40.471 42.059 -1.139 0.000 0.899 419 L HN 0.895 nan 8.230 nan 0.000 0.433 420 W N -0.734 120.363 121.300 -0.340 0.000 2.494 420 W HA 0.196 4.856 4.660 -0.001 0.000 0.286 420 W C 2.023 178.420 176.519 -0.203 0.000 1.218 420 W CA 0.574 57.761 57.345 -0.264 0.000 1.313 420 W CB -1.272 28.067 29.460 -0.201 0.000 1.105 420 W HN 0.288 nan 8.180 nan 0.000 0.561 421 A N 1.996 124.346 122.820 -0.783 0.000 1.898 421 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 421 A C 2.256 179.701 177.584 -0.231 0.000 1.181 421 A CA 1.777 53.511 52.037 -0.505 0.000 0.620 421 A CB -0.747 17.813 19.000 -0.733 0.000 0.819 421 A HN 0.295 nan 8.150 nan 0.000 0.442 422 R N -0.999 119.295 120.500 -0.343 0.000 2.061 422 R HA 0.010 4.349 4.340 -0.001 0.000 0.230 422 R C 2.334 178.532 176.300 -0.170 0.000 1.140 422 R CA 1.729 57.662 56.100 -0.278 0.000 0.940 422 R CB -0.413 29.587 30.300 -0.501 0.000 0.839 422 R HN 0.494 nan 8.270 nan 0.000 0.429 423 M N -0.150 119.201 119.600 -0.416 0.000 2.175 423 M HA -0.095 4.385 4.480 -0.001 0.000 0.264 423 M C 1.970 178.213 176.300 -0.096 0.000 1.063 423 M CA 1.672 56.812 55.300 -0.265 0.000 1.119 423 M CB -0.006 32.363 32.600 -0.386 0.000 1.377 423 M HN 0.157 nan 8.290 nan 0.000 0.415 424 I N -1.145 119.211 120.570 -0.356 0.000 3.132 424 I HA -0.090 4.080 4.170 -0.001 0.000 0.255 424 I C 2.066 178.026 176.117 -0.261 0.000 1.118 424 I CA 0.179 60.993 61.300 -0.809 0.000 1.463 424 I CB -0.153 37.308 38.000 -0.898 0.000 1.356 424 I HN 0.115 nan 8.210 nan 0.000 0.463 425 L N 0.339 121.582 121.223 0.033 0.000 1.994 425 L HA -0.228 4.111 4.340 -0.001 0.000 0.208 425 L C 2.705 179.874 176.870 0.499 0.000 1.071 425 L CA 1.754 56.801 54.840 0.346 0.000 0.745 425 L CB -0.476 41.815 42.059 0.386 0.000 0.892 425 L HN 0.291 nan 8.230 nan 0.000 0.431 426 M N -0.866 118.993 119.600 0.432 0.000 2.065 426 M HA -0.214 4.265 4.480 -0.001 0.000 0.259 426 M C 2.320 179.120 176.300 0.834 0.000 1.069 426 M CA 2.247 57.909 55.300 0.603 0.000 1.110 426 M CB -0.719 32.047 32.600 0.277 0.000 1.328 426 M HN 0.290 nan 8.290 nan 0.000 0.405 427 T N -1.338 113.669 114.554 0.754 0.000 2.643 427 T HA -0.233 4.116 4.350 -0.001 0.000 0.264 427 T C 1.634 176.604 174.700 0.451 0.000 1.045 427 T CA 1.962 64.459 62.100 0.662 0.000 1.155 427 T CB -0.619 68.675 68.868 0.710 0.000 0.863 427 T HN 0.452 nan 8.240 nan 0.000 0.420 428 H N 0.483 119.723 119.070 0.283 0.000 2.265 428 H HA -0.085 4.470 4.556 -0.001 0.000 0.295 428 H C 1.831 176.998 175.328 -0.269 0.000 1.084 428 H CA 1.854 57.914 56.048 0.020 0.000 1.261 428 H CB -0.571 29.064 29.762 -0.212 0.000 1.360 428 H HN 0.352 nan 8.280 nan 0.000 0.487 429 F N -1.137 118.780 119.950 -0.054 0.000 2.259 429 F HA -0.037 4.490 4.527 -0.001 0.000 0.298 429 F C 2.083 177.687 175.800 -0.325 0.000 1.088 429 F CA 0.593 58.302 58.000 -0.486 0.000 1.358 429 F CB -0.539 37.732 39.000 -1.214 0.000 1.040 429 F HN 0.145 nan 8.300 nan 0.000 0.505 430 F N -0.303 119.716 119.950 0.114 0.000 2.146 430 F HA -0.210 4.316 4.527 -0.001 0.000 0.298 430 F C 2.793 178.600 175.800 0.011 0.000 1.096 430 F CA 1.581 59.670 58.000 0.147 0.000 1.275 430 F CB -1.051 38.152 39.000 0.338 0.000 1.008 430 F HN -0.055 nan 8.300 nan 0.000 0.480 431 S N 0.654 116.407 115.700 0.088 0.000 2.359 431 S HA -0.229 4.240 4.470 -0.001 0.000 0.223 431 S C 2.176 176.711 174.600 -0.109 0.000 1.039 431 S CA 1.772 59.948 58.200 -0.041 0.000 1.042 431 S CB -0.638 62.517 63.200 -0.075 0.000 0.915 431 S HN 0.342 nan 8.310 nan 0.000 0.439 432 I N 1.204 121.635 120.570 -0.231 0.000 2.151 432 I HA -0.216 3.954 4.170 -0.001 0.000 0.243 432 I C 2.394 178.450 176.117 -0.101 0.000 1.080 432 I CA 1.506 62.674 61.300 -0.220 0.000 1.339 432 I CB -0.420 37.371 38.000 -0.348 0.000 1.039 432 I HN 0.355 nan 8.210 nan 0.000 0.409 433 L N -0.075 121.090 121.223 -0.096 0.000 2.083 433 L HA -0.227 4.112 4.340 -0.001 0.000 0.209 433 L C 2.536 179.404 176.870 -0.003 0.000 1.083 433 L CA 1.190 56.002 54.840 -0.046 0.000 0.752 433 L CB -0.440 41.548 42.059 -0.119 0.000 0.899 433 L HN 0.286 nan 8.230 nan 0.000 0.433 434 L N -0.358 120.873 121.223 0.013 0.000 2.027 434 L HA -0.174 4.165 4.340 -0.001 0.000 0.206 434 L C 2.792 179.669 176.870 0.013 0.000 1.074 434 L CA 1.254 56.117 54.840 0.038 0.000 0.745 434 L CB -0.499 41.589 42.059 0.048 0.000 0.898 434 L HN 0.218 nan 8.230 nan 0.000 0.433 435 A N -1.210 121.604 122.820 -0.010 0.000 2.070 435 A HA -0.180 4.140 4.320 -0.001 0.000 0.220 435 A C 1.964 179.546 177.584 -0.003 0.000 1.159 435 A CA 1.231 53.259 52.037 -0.015 0.000 0.656 435 A CB -0.183 18.796 19.000 -0.035 0.000 0.800 435 A HN 0.450 nan 8.150 nan 0.000 0.453 436 Q N -0.305 119.498 119.800 0.005 0.000 2.282 436 Q HA 0.054 4.393 4.340 -0.001 0.000 0.206 436 Q C -0.530 175.484 176.000 0.024 0.000 0.878 436 Q CA 0.541 56.355 55.803 0.018 0.000 0.944 436 Q CB -0.032 28.725 28.738 0.031 0.000 1.100 436 Q HN 0.863 nan 8.270 nan 0.000 0.509 437 E N 0.559 120.774 120.200 0.025 0.000 2.269 437 E HA -0.276 4.073 4.350 -0.001 0.000 0.223 437 E C -0.249 176.374 176.600 0.038 0.000 1.244 437 E CA 0.393 56.812 56.400 0.033 0.000 0.713 437 E CB -1.839 27.878 29.700 0.028 0.000 1.178 437 E HN 0.447 nan 8.360 nan 0.000 0.370 438 Q N -0.244 119.580 119.800 0.041 0.000 2.175 438 Q HA 0.256 4.596 4.340 -0.001 0.000 0.225 438 Q C 1.675 177.708 176.000 0.056 0.000 0.837 438 Q CA -0.260 55.573 55.803 0.049 0.000 1.032 438 Q CB 0.394 29.167 28.738 0.058 0.000 1.137 438 Q HN 0.419 nan 8.270 nan 0.000 0.483 439 L N 0.142 121.400 121.223 0.058 0.000 2.083 439 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 439 L C 1.753 178.674 176.870 0.085 0.000 1.083 439 L CA 1.379 56.261 54.840 0.070 0.000 0.752 439 L CB -0.092 42.038 42.059 0.118 0.000 0.899 439 L HN 0.306 nan 8.230 nan 0.000 0.433 440 E N -0.191 120.055 120.200 0.077 0.000 2.481 440 E HA -0.067 4.282 4.350 -0.001 0.000 0.195 440 E C 0.696 177.336 176.600 0.066 0.000 1.047 440 E CA -0.027 56.417 56.400 0.073 0.000 0.867 440 E CB 0.234 29.971 29.700 0.061 0.000 0.858 440 E HN 0.223 nan 8.360 nan 0.000 0.513 441 K N 1.879 122.318 120.400 0.064 0.000 2.349 441 K HA 0.208 4.527 4.320 -0.001 0.000 0.289 441 K C -0.506 176.133 176.600 0.065 0.000 1.064 441 K CA -0.280 56.042 56.287 0.059 0.000 0.947 441 K CB 0.633 33.165 32.500 0.054 0.000 1.007 441 K HN -0.091 nan 8.250 nan 0.000 0.478 442 A N 5.366 128.223 122.820 0.061 0.000 2.511 442 A HA 0.235 4.554 4.320 -0.001 0.000 0.242 442 A C -0.360 177.256 177.584 0.053 0.000 1.069 442 A CA 0.035 52.109 52.037 0.062 0.000 0.763 442 A CB 0.099 19.142 19.000 0.071 0.000 1.001 442 A HN 0.769 nan 8.150 nan 0.000 0.498 443 L N 2.048 123.289 121.223 0.029 0.000 2.381 443 L HA 0.365 4.704 4.340 -0.001 0.000 0.268 443 L C -0.893 175.962 176.870 -0.025 0.000 0.997 443 L CA -1.066 53.771 54.840 -0.004 0.000 0.818 443 L CB 2.065 44.091 42.059 -0.055 0.000 1.310 443 L HN 0.568 nan 8.230 nan 0.000 0.416 444 D N 1.777 122.169 120.400 -0.013 0.000 2.348 444 D HA 0.366 5.006 4.640 -0.001 0.000 0.253 444 D C -0.283 175.965 176.300 -0.088 0.000 1.161 444 D CA 0.024 54.021 54.000 -0.004 0.000 0.876 444 D CB 1.220 42.041 40.800 0.036 0.000 1.160 444 D HN 0.572 nan 8.370 nan 0.000 0.459 445 C N 0.943 120.191 119.300 -0.087 0.000 3.259 445 C HA 0.713 5.172 4.460 -0.001 0.000 0.328 445 C C -0.749 174.212 174.990 -0.048 0.000 1.425 445 C CA -0.870 58.073 59.018 -0.125 0.000 1.465 445 C CB 1.438 29.045 27.740 -0.221 0.000 1.890 445 C HN 0.489 nan 8.230 nan 0.000 0.450 446 Q N 0.262 120.032 119.800 -0.049 0.000 2.353 446 Q HA 0.779 5.119 4.340 -0.001 0.000 0.268 446 Q C -1.500 174.495 176.000 -0.009 0.000 1.045 446 Q CA -0.362 55.447 55.803 0.010 0.000 0.811 446 Q CB 2.486 31.231 28.738 0.013 0.000 1.305 446 Q HN 0.718 nan 8.270 nan 0.000 0.447 447 I N 2.354 122.940 120.570 0.026 0.000 2.512 447 I HA 0.185 4.355 4.170 -0.001 0.000 0.287 447 I C -1.093 175.125 176.117 0.168 0.000 1.069 447 I CA -0.702 60.570 61.300 -0.046 0.000 1.056 447 I CB 1.397 39.119 38.000 -0.463 0.000 1.229 447 I HN 0.630 nan 8.210 nan 0.000 0.429 448 Y N 5.242 125.620 120.300 0.131 0.000 3.225 448 Y HA -0.256 4.294 4.550 -0.001 0.000 0.211 448 Y C 1.491 177.373 175.900 -0.030 0.000 1.223 448 Y CA 1.159 59.307 58.100 0.081 0.000 1.284 448 Y CB -1.918 36.610 38.460 0.114 0.000 1.367 448 Y HN 1.000 nan 8.280 nan 0.000 0.566 449 G N -2.074 106.827 108.800 0.167 0.000 2.245 449 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.264 449 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.264 449 G C 0.515 175.457 174.900 0.070 0.000 0.985 449 G CA 0.404 45.557 45.100 0.089 0.000 0.625 449 G HN 1.560 nan 8.290 nan 0.000 0.536 450 A N -0.771 122.105 122.820 0.093 0.000 2.293 450 A HA 0.675 4.994 4.320 -0.001 0.000 0.302 450 A C 0.633 178.142 177.584 -0.125 0.000 1.119 450 A CA 0.383 52.359 52.037 -0.101 0.000 0.823 450 A CB 1.112 19.971 19.000 -0.235 0.000 1.097 450 A HN 1.584 nan 8.150 nan 0.000 0.491 451 C N 1.536 120.660 119.300 -0.293 0.000 2.330 451 C HA 0.778 5.237 4.460 -0.001 0.000 0.344 451 C C -1.071 173.629 174.990 -0.484 0.000 1.273 451 C CA -0.518 58.386 59.018 -0.190 0.000 1.879 451 C CB -1.282 26.445 27.740 -0.022 0.000 2.376 451 C HN 0.634 nan 8.230 nan 0.000 0.534 452 Y N 3.055 123.172 120.300 -0.304 0.000 2.425 452 Y HA 0.454 5.003 4.550 -0.001 0.000 0.344 452 Y C 0.353 176.128 175.900 -0.208 0.000 0.969 452 Y CA -0.383 57.478 58.100 -0.398 0.000 1.052 452 Y CB 1.929 40.075 38.460 -0.523 0.000 1.215 452 Y HN 0.608 nan 8.280 nan 0.000 0.451 453 S N 4.453 120.147 115.700 -0.011 0.000 2.438 453 S HA 0.694 5.164 4.470 -0.001 0.000 0.316 453 S C -0.995 173.645 174.600 0.067 0.000 1.084 453 S CA -0.329 57.918 58.200 0.079 0.000 1.107 453 S CB -0.287 63.023 63.200 0.184 0.000 0.981 453 S HN 0.548 nan 8.310 nan 0.000 0.466 454 I N 4.020 124.617 120.570 0.044 0.000 2.499 454 I HA 0.329 4.498 4.170 -0.001 0.000 0.288 454 I C -0.230 175.918 176.117 0.052 0.000 1.048 454 I CA -0.579 60.755 61.300 0.055 0.000 1.062 454 I CB 2.164 40.186 38.000 0.036 0.000 1.238 454 I HN 0.541 nan 8.210 nan 0.000 0.426 455 E N 7.382 127.631 120.200 0.081 0.000 2.223 455 E HA 0.147 4.496 4.350 -0.001 0.000 0.282 455 E C -1.693 174.976 176.600 0.114 0.000 1.046 455 E CA -1.568 54.885 56.400 0.089 0.000 0.857 455 E CB 1.070 30.824 29.700 0.091 0.000 1.055 455 E HN 0.315 nan 8.360 nan 0.000 0.409 456 P HA -0.237 nan 4.420 nan 0.000 0.218 456 P C 1.147 178.621 177.300 0.289 0.000 1.152 456 P CA 1.263 64.471 63.100 0.179 0.000 0.857 456 P CB 0.174 31.902 31.700 0.046 0.000 0.787 457 L N -0.860 120.499 121.223 0.227 0.000 2.187 457 L HA -0.185 4.155 4.340 -0.001 0.000 0.213 457 L C 1.423 178.398 176.870 0.175 0.000 1.100 457 L CA 1.387 56.362 54.840 0.225 0.000 0.765 457 L CB -0.830 41.322 42.059 0.156 0.000 0.904 457 L HN 0.017 nan 8.230 nan 0.000 0.437 458 D N -0.361 120.130 120.400 0.152 0.000 2.355 458 D HA -0.030 4.609 4.640 -0.001 0.000 0.218 458 D C 2.288 178.664 176.300 0.126 0.000 1.004 458 D CA 0.344 54.412 54.000 0.113 0.000 0.880 458 D CB 0.112 40.969 40.800 0.096 0.000 0.911 458 D HN 0.280 nan 8.370 nan 0.000 0.528 459 L N 0.958 122.299 121.223 0.196 0.000 2.021 459 L HA -0.193 4.146 4.340 -0.001 0.000 0.215 459 L C -0.437 176.537 176.870 0.173 0.000 1.074 459 L CA 1.689 56.658 54.840 0.214 0.000 0.760 459 L CB -1.504 40.755 42.059 0.334 0.000 0.889 459 L HN 0.087 nan 8.230 nan 0.000 0.433 460 P HA -0.194 nan 4.420 nan 0.000 0.215 460 P C 1.348 178.702 177.300 0.090 0.000 1.157 460 P CA 1.289 64.421 63.100 0.054 0.000 0.868 460 P CB 0.030 31.620 31.700 -0.184 0.000 0.788 461 Q N -0.738 119.056 119.800 -0.011 0.000 2.079 461 Q HA -0.085 4.254 4.340 -0.001 0.000 0.200 461 Q C 2.216 178.195 176.000 -0.035 0.000 0.974 461 Q CA 1.252 57.033 55.803 -0.038 0.000 0.840 461 Q CB -1.174 27.527 28.738 -0.061 0.000 0.898 461 Q HN 0.261 nan 8.270 nan 0.000 0.430 462 I N 0.007 120.561 120.570 -0.027 0.000 2.127 462 I HA -0.306 3.863 4.170 -0.001 0.000 0.241 462 I C 1.992 178.090 176.117 -0.032 0.000 1.075 462 I CA 1.320 62.564 61.300 -0.093 0.000 1.334 462 I CB -0.339 37.653 38.000 -0.013 0.000 1.040 462 I HN 0.172 nan 8.210 nan 0.000 0.405 463 I N 0.377 121.005 120.570 0.097 0.000 2.226 463 I HA -0.295 3.875 4.170 -0.001 0.000 0.245 463 I C 2.659 178.777 176.117 0.002 0.000 1.100 463 I CA 1.442 62.816 61.300 0.122 0.000 1.374 463 I CB -0.389 37.690 38.000 0.132 0.000 1.057 463 I HN 0.285 nan 8.210 nan 0.000 0.413 464 E N 0.901 121.126 120.200 0.040 0.000 2.058 464 E HA -0.253 4.096 4.350 -0.001 0.000 0.194 464 E C 2.419 178.989 176.600 -0.051 0.000 0.997 464 E CA 1.125 57.528 56.400 0.005 0.000 0.801 464 E CB 0.112 29.886 29.700 0.123 0.000 0.746 464 E HN 0.255 nan 8.360 nan 0.000 0.450 465 R N 0.297 120.748 120.500 -0.081 0.000 2.070 465 R HA -0.102 4.238 4.340 -0.001 0.000 0.233 465 R C 2.534 178.743 176.300 -0.150 0.000 1.137 465 R CA 0.994 57.017 56.100 -0.128 0.000 0.945 465 R CB -0.792 29.387 30.300 -0.201 0.000 0.845 465 R HN 0.349 nan 8.270 nan 0.000 0.430 466 L N -0.500 120.608 121.223 -0.191 0.000 2.072 466 L HA -0.136 4.203 4.340 -0.001 0.000 0.205 466 L C 2.035 178.647 176.870 -0.431 0.000 1.079 466 L CA 1.304 55.958 54.840 -0.311 0.000 0.752 466 L CB -0.486 41.332 42.059 -0.402 0.000 0.906 466 L HN 0.315 nan 8.230 nan 0.000 0.436 467 H N -0.982 118.009 119.070 -0.132 0.000 2.885 467 H HA 0.267 4.823 4.556 -0.001 0.000 0.260 467 H C 1.028 176.264 175.328 -0.153 0.000 0.985 467 H CA 0.739 56.697 56.048 -0.150 0.000 1.210 467 H CB 0.961 30.606 29.762 -0.195 0.000 1.466 467 H HN 0.317 nan 8.280 nan 0.000 0.493 468 G N 1.100 109.863 108.800 -0.060 0.000 2.781 468 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.683 468 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.683 468 G C 0.747 175.565 174.900 -0.136 0.000 1.390 468 G CA -0.101 44.960 45.100 -0.064 0.000 0.850 468 G HN 0.252 nan 8.290 nan 0.000 0.557 469 L N 0.883 122.087 121.223 -0.031 0.000 2.129 469 L HA -0.178 4.161 4.340 -0.001 0.000 0.212 469 L C 3.222 180.079 176.870 -0.021 0.000 1.087 469 L CA 2.619 57.499 54.840 0.067 0.000 0.757 469 L CB -0.458 41.707 42.059 0.178 0.000 0.896 469 L HN 0.998 nan 8.230 nan 0.000 0.434 470 S N -0.541 115.123 115.700 -0.060 0.000 2.507 470 S HA -0.103 4.367 4.470 -0.001 0.000 0.235 470 S C 2.000 176.511 174.600 -0.148 0.000 0.988 470 S CA 0.693 58.858 58.200 -0.059 0.000 0.944 470 S CB -0.232 62.936 63.200 -0.053 0.000 0.762 470 S HN 0.376 nan 8.310 nan 0.000 0.526 471 A N 0.883 123.513 122.820 -0.315 0.000 2.015 471 A HA 0.180 4.500 4.320 -0.001 0.000 0.219 471 A C 1.512 178.900 177.584 -0.326 0.000 1.163 471 A CA 0.905 52.689 52.037 -0.421 0.000 0.646 471 A CB -0.818 17.831 19.000 -0.586 0.000 0.806 471 A HN 0.588 nan 8.150 nan 0.000 0.448 472 F N 0.307 120.269 119.950 0.020 0.000 2.797 472 F HA 0.094 4.621 4.527 -0.001 0.000 0.302 472 F C 1.744 177.590 175.800 0.077 0.000 1.130 472 F CA 0.637 58.675 58.000 0.065 0.000 1.387 472 F CB -0.049 39.023 39.000 0.121 0.000 1.107 472 F HN 0.263 nan 8.300 nan 0.000 0.577 473 S N -1.638 114.162 115.700 0.166 0.000 2.960 473 S HA 0.297 4.767 4.470 -0.001 0.000 0.256 473 S C 0.071 174.728 174.600 0.096 0.000 1.017 473 S CA -0.413 57.874 58.200 0.145 0.000 1.144 473 S CB -0.648 62.631 63.200 0.133 0.000 1.109 473 S HN 0.033 nan 8.310 nan 0.000 0.638 474 L N 3.240 124.444 121.223 -0.031 0.000 2.506 474 L HA 0.342 4.682 4.340 -0.001 0.000 0.281 474 L C 0.648 177.428 176.870 -0.150 0.000 1.228 474 L CA 0.433 55.145 54.840 -0.213 0.000 0.850 474 L CB -0.055 41.733 42.059 -0.452 0.000 1.110 474 L HN 0.699 nan 8.230 nan 0.000 0.496 475 H N -1.050 117.778 119.070 -0.402 0.000 2.902 475 H HA 0.286 4.841 4.556 -0.001 0.000 0.297 475 H C -0.156 174.983 175.328 -0.316 0.000 1.406 475 H CA -0.498 55.368 56.048 -0.304 0.000 1.134 475 H CB 1.104 30.831 29.762 -0.057 0.000 1.833 475 H HN 0.391 nan 8.280 nan 0.000 0.527 476 S N 0.067 115.714 115.700 -0.088 0.000 3.697 476 S HA -0.219 4.250 4.470 -0.001 0.000 0.388 476 S C -0.712 173.849 174.600 -0.065 0.000 0.941 476 S CA 0.292 58.463 58.200 -0.048 0.000 1.247 476 S CB -2.026 61.036 63.200 -0.229 0.000 0.904 476 S HN 0.561 nan 8.310 nan 0.000 0.518 477 Y N 1.914 122.236 120.300 0.037 0.000 2.335 477 Y HA 0.283 4.832 4.550 -0.001 0.000 0.348 477 Y C 1.318 177.262 175.900 0.073 0.000 1.280 477 Y CA 0.721 58.851 58.100 0.051 0.000 1.504 477 Y CB 0.319 38.805 38.460 0.043 0.000 1.366 477 Y HN 0.561 nan 8.280 nan 0.000 0.621 478 S N 1.463 117.315 115.700 0.253 0.000 2.564 478 S HA 0.148 4.617 4.470 -0.001 0.000 0.278 478 S C -1.979 172.697 174.600 0.126 0.000 1.333 478 S CA -1.167 57.121 58.200 0.146 0.000 1.048 478 S CB 1.259 64.522 63.200 0.105 0.000 0.900 478 S HN 0.413 nan 8.310 nan 0.000 0.505 479 P HA -0.066 nan 4.420 nan 0.000 0.216 479 P C 1.767 179.103 177.300 0.061 0.000 1.157 479 P CA 1.889 65.032 63.100 0.071 0.000 0.880 479 P CB -0.492 31.239 31.700 0.052 0.000 0.791 480 G N -0.235 108.595 108.800 0.051 0.000 2.476 480 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.218 480 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.218 480 G C 1.673 176.598 174.900 0.042 0.000 1.164 480 G CA 1.232 46.354 45.100 0.036 0.000 0.768 480 G HN 0.269 nan 8.290 nan 0.000 0.560 481 E N 0.623 120.866 120.200 0.070 0.000 2.051 481 E HA -0.065 4.284 4.350 -0.001 0.000 0.192 481 E C 2.488 179.125 176.600 0.061 0.000 0.991 481 E CA 0.869 57.320 56.400 0.085 0.000 0.799 481 E CB -0.419 29.384 29.700 0.171 0.000 0.748 481 E HN 0.517 nan 8.360 nan 0.000 0.449 482 I N 0.830 121.444 120.570 0.073 0.000 2.163 482 I HA -0.322 3.847 4.170 -0.001 0.000 0.243 482 I C 1.972 178.110 176.117 0.035 0.000 1.085 482 I CA 1.255 62.586 61.300 0.051 0.000 1.347 482 I CB -0.458 37.588 38.000 0.077 0.000 1.044 482 I HN 0.173 nan 8.210 nan 0.000 0.408 483 N N 0.646 119.368 118.700 0.035 0.000 2.120 483 N HA -0.209 4.530 4.740 -0.001 0.000 0.188 483 N C 1.888 177.403 175.510 0.008 0.000 1.024 483 N CA 1.212 54.276 53.050 0.024 0.000 0.852 483 N CB -0.464 38.038 38.487 0.024 0.000 1.003 483 N HN 0.354 nan 8.380 nan 0.000 0.424 484 R N 0.947 121.447 120.500 -0.000 0.000 2.073 484 R HA -0.047 4.292 4.340 -0.001 0.000 0.234 484 R C 1.940 178.213 176.300 -0.045 0.000 1.134 484 R CA 1.096 57.180 56.100 -0.027 0.000 0.952 484 R CB -0.248 30.029 30.300 -0.039 0.000 0.850 484 R HN -0.046 nan 8.270 nan 0.000 0.433 485 V N 1.262 121.155 119.914 -0.035 0.000 2.255 485 V HA -0.265 3.854 4.120 -0.001 0.000 0.247 485 V C 2.537 178.621 176.094 -0.017 0.000 1.051 485 V CA 2.047 64.321 62.300 -0.043 0.000 1.018 485 V CB -0.928 30.892 31.823 -0.004 0.000 0.641 485 V HN 0.593 nan 8.190 nan 0.000 0.445 486 A N -0.627 122.197 122.820 0.007 0.000 1.908 486 A HA -0.272 4.048 4.320 -0.001 0.000 0.218 486 A C 2.571 180.166 177.584 0.019 0.000 1.181 486 A CA 2.429 54.481 52.037 0.025 0.000 0.627 486 A CB -0.870 18.150 19.000 0.034 0.000 0.818 486 A HN 0.504 nan 8.150 nan 0.000 0.445 487 S N -1.233 114.471 115.700 0.008 0.000 2.368 487 S HA -0.207 4.262 4.470 -0.001 0.000 0.225 487 S C 2.099 176.702 174.600 0.005 0.000 1.030 487 S CA 1.596 59.801 58.200 0.008 0.000 0.999 487 S CB -0.973 62.228 63.200 0.001 0.000 0.844 487 S HN 0.818 nan 8.310 nan 0.000 0.459 488 C N 1.629 120.917 119.300 -0.020 0.000 2.425 488 C HA 0.047 4.506 4.460 -0.001 0.000 0.277 488 C C 2.468 177.456 174.990 -0.004 0.000 1.280 488 C CA 0.848 59.847 59.018 -0.031 0.000 1.744 488 C CB -1.737 25.946 27.740 -0.095 0.000 1.989 488 C HN 0.682 nan 8.230 nan 0.000 0.491 489 L N 0.245 121.473 121.223 0.007 0.000 2.083 489 L HA -0.090 4.249 4.340 -0.001 0.000 0.209 489 L C 3.021 179.909 176.870 0.031 0.000 1.083 489 L CA 1.605 56.464 54.840 0.033 0.000 0.752 489 L CB -0.921 41.179 42.059 0.069 0.000 0.899 489 L HN 0.357 nan 8.230 nan 0.000 0.433 490 R N 0.525 121.051 120.500 0.043 0.000 2.081 490 R HA -0.182 4.157 4.340 -0.001 0.000 0.235 490 R C 2.392 178.766 176.300 0.122 0.000 1.131 490 R CA 1.489 57.629 56.100 0.066 0.000 0.960 490 R CB -0.229 30.108 30.300 0.062 0.000 0.856 490 R HN 0.279 nan 8.270 nan 0.000 0.436 491 K N 1.047 121.510 120.400 0.105 0.000 2.009 491 K HA -0.139 4.181 4.320 -0.001 0.000 0.210 491 K C 1.774 178.534 176.600 0.267 0.000 1.049 491 K CA 1.402 57.778 56.287 0.148 0.000 0.929 491 K CB -0.044 32.504 32.500 0.080 0.000 0.714 491 K HN 0.134 nan 8.250 nan 0.000 0.440 492 L N -0.174 121.131 121.223 0.137 0.000 2.558 492 L HA 0.149 4.489 4.340 -0.001 0.000 0.225 492 L C 0.818 177.588 176.870 -0.167 0.000 1.128 492 L CA 0.365 55.261 54.840 0.095 0.000 0.868 492 L CB 0.105 42.195 42.059 0.053 0.000 1.006 492 L HN 0.603 nan 8.230 nan 0.000 0.454 493 G N 1.098 109.679 108.800 -0.364 0.000 2.289 493 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.280 493 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.280 493 G C -0.121 174.626 174.900 -0.255 0.000 1.089 493 G CA -0.020 44.677 45.100 -0.673 0.000 0.939 493 G HN 0.088 nan 8.290 nan 0.000 0.499 494 V N 0.861 120.733 119.914 -0.070 0.000 2.509 494 V HA 0.443 4.563 4.120 -0.001 0.000 0.284 494 V C -1.245 174.931 176.094 0.137 0.000 1.047 494 V CA -1.641 60.709 62.300 0.084 0.000 0.952 494 V CB 1.627 33.535 31.823 0.141 0.000 0.988 494 V HN 0.217 nan 8.190 nan 0.000 0.469 495 P HA 0.107 nan 4.420 nan 0.000 0.266 495 P C -2.492 174.932 177.300 0.206 0.000 1.193 495 P CA -0.730 62.396 63.100 0.043 0.000 0.770 495 P CB -0.218 31.326 31.700 -0.259 0.000 0.836 496 P HA 0.038 nan 4.420 nan 0.000 0.269 496 P C 0.937 178.398 177.300 0.269 0.000 1.215 496 P CA 0.041 63.240 63.100 0.164 0.000 0.780 496 P CB 0.695 32.442 31.700 0.078 0.000 0.898 497 L N 1.647 123.058 121.223 0.312 0.000 2.137 497 L HA -0.271 4.069 4.340 -0.001 0.000 0.213 497 L C 2.825 179.884 176.870 0.314 0.000 1.085 497 L CA 1.972 57.031 54.840 0.365 0.000 0.760 497 L CB -0.879 41.303 42.059 0.205 0.000 0.893 497 L HN 0.463 nan 8.230 nan 0.000 0.434 498 R N -0.557 120.059 120.500 0.193 0.000 2.096 498 R HA -0.114 4.225 4.340 -0.001 0.000 0.235 498 R C 2.044 178.415 176.300 0.118 0.000 1.127 498 R CA 1.472 57.661 56.100 0.149 0.000 0.968 498 R CB -1.174 29.173 30.300 0.079 0.000 0.861 498 R HN 0.166 nan 8.270 nan 0.000 0.440 499 V N 0.689 120.617 119.914 0.022 0.000 2.295 499 V HA -0.218 3.901 4.120 -0.001 0.000 0.246 499 V C 2.093 178.142 176.094 -0.074 0.000 1.049 499 V CA 1.920 64.148 62.300 -0.120 0.000 1.024 499 V CB -0.784 30.841 31.823 -0.330 0.000 0.648 499 V HN 0.375 nan 8.190 nan 0.000 0.447 500 W N 0.228 121.634 121.300 0.177 0.000 2.338 500 W HA -0.163 4.496 4.660 -0.001 0.000 0.304 500 W C 2.783 179.514 176.519 0.354 0.000 1.212 500 W CA 1.713 59.207 57.345 0.249 0.000 1.264 500 W CB -0.360 29.247 29.460 0.246 0.000 1.142 500 W HN 0.065 nan 8.180 nan 0.000 0.512 501 R N -0.239 120.609 120.500 0.580 0.000 2.083 501 R HA -0.243 4.096 4.340 -0.001 0.000 0.237 501 R C 2.031 178.450 176.300 0.197 0.000 1.137 501 R CA 2.220 58.601 56.100 0.468 0.000 0.951 501 R CB -0.829 29.739 30.300 0.446 0.000 0.851 501 R HN 0.228 nan 8.270 nan 0.000 0.434 502 H N 0.233 119.353 119.070 0.083 0.000 2.290 502 H HA -0.069 4.486 4.556 -0.001 0.000 0.298 502 H C 2.192 177.497 175.328 -0.037 0.000 1.087 502 H CA 2.442 58.487 56.048 -0.005 0.000 1.291 502 H CB 0.072 29.819 29.762 -0.026 0.000 1.369 502 H HN 0.166 nan 8.280 nan 0.000 0.492 503 R N -0.422 120.121 120.500 0.072 0.000 2.091 503 R HA -0.124 4.215 4.340 -0.001 0.000 0.238 503 R C 2.532 178.788 176.300 -0.074 0.000 1.136 503 R CA 1.131 57.228 56.100 -0.004 0.000 0.959 503 R CB -0.348 29.976 30.300 0.041 0.000 0.856 503 R HN 0.384 nan 8.270 nan 0.000 0.437 504 A N 1.102 123.908 122.820 -0.024 0.000 1.933 504 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 504 A C 2.039 179.362 177.584 -0.435 0.000 1.175 504 A CA 1.110 52.989 52.037 -0.263 0.000 0.628 504 A CB -0.357 18.545 19.000 -0.162 0.000 0.814 504 A HN 0.213 nan 8.150 nan 0.000 0.444 505 R N -0.495 119.808 120.500 -0.329 0.000 2.083 505 R HA -0.145 4.194 4.340 -0.001 0.000 0.237 505 R C 2.685 178.814 176.300 -0.286 0.000 1.137 505 R CA 1.659 57.575 56.100 -0.307 0.000 0.951 505 R CB -0.582 29.549 30.300 -0.281 0.000 0.851 505 R HN 0.608 nan 8.270 nan 0.000 0.434 506 S N 0.355 115.889 115.700 -0.276 0.000 2.353 506 S HA -0.120 4.349 4.470 -0.001 0.000 0.222 506 S C 2.101 176.564 174.600 -0.229 0.000 1.035 506 S CA 1.571 59.636 58.200 -0.225 0.000 1.025 506 S CB -0.214 62.871 63.200 -0.191 0.000 0.902 506 S HN 0.129 nan 8.310 nan 0.000 0.440 507 V N 2.551 122.283 119.914 -0.303 0.000 2.343 507 V HA -0.118 4.001 4.120 -0.001 0.000 0.247 507 V C 2.773 178.624 176.094 -0.404 0.000 1.051 507 V CA 2.183 64.274 62.300 -0.349 0.000 1.036 507 V CB -0.880 30.644 31.823 -0.499 0.000 0.654 507 V HN 0.516 nan 8.190 nan 0.000 0.451 508 R N 0.311 120.490 120.500 -0.534 0.000 2.094 508 R HA -0.222 4.117 4.340 -0.001 0.000 0.239 508 R C 2.310 178.506 176.300 -0.173 0.000 1.137 508 R CA 1.990 57.896 56.100 -0.324 0.000 0.943 508 R CB -0.516 29.620 30.300 -0.274 0.000 0.850 508 R HN 0.477 nan 8.270 nan 0.000 0.433 509 A N 1.098 123.813 122.820 -0.175 0.000 1.877 509 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 509 A C 2.219 179.749 177.584 -0.090 0.000 1.186 509 A CA 1.658 53.623 52.037 -0.120 0.000 0.620 509 A CB -0.528 18.398 19.000 -0.123 0.000 0.822 509 A HN 0.406 nan 8.150 nan 0.000 0.443 510 R N -0.677 119.763 120.500 -0.099 0.000 2.103 510 R HA -0.141 4.198 4.340 -0.001 0.000 0.242 510 R C 2.029 178.313 176.300 -0.027 0.000 1.142 510 R CA 1.769 57.833 56.100 -0.060 0.000 0.960 510 R CB -0.541 29.723 30.300 -0.062 0.000 0.858 510 R HN 0.537 nan 8.270 nan 0.000 0.439 511 L N 0.098 121.306 121.223 -0.025 0.000 2.072 511 L HA -0.114 4.225 4.340 -0.001 0.000 0.205 511 L C 2.250 179.131 176.870 0.020 0.000 1.079 511 L CA 0.863 55.721 54.840 0.029 0.000 0.752 511 L CB -0.315 41.784 42.059 0.066 0.000 0.906 511 L HN 0.172 nan 8.230 nan 0.000 0.436 512 L N -0.808 120.410 121.223 -0.008 0.000 2.081 512 L HA -0.248 4.091 4.340 -0.001 0.000 0.212 512 L C 2.714 179.581 176.870 -0.005 0.000 1.080 512 L CA 1.074 55.908 54.840 -0.010 0.000 0.754 512 L CB -0.614 41.425 42.059 -0.033 0.000 0.893 512 L HN 0.244 nan 8.230 nan 0.000 0.433 513 S N -0.308 115.387 115.700 -0.009 0.000 2.372 513 S HA -0.271 4.198 4.470 -0.001 0.000 0.227 513 S C 1.797 176.401 174.600 0.007 0.000 1.044 513 S CA 1.507 59.704 58.200 -0.005 0.000 1.050 513 S CB -0.320 62.875 63.200 -0.008 0.000 0.901 513 S HN 0.544 nan 8.310 nan 0.000 0.447 514 Q N 0.750 120.561 119.800 0.018 0.000 2.435 514 Q HA 0.229 4.569 4.340 -0.001 0.000 0.207 514 Q C 1.406 177.424 176.000 0.029 0.000 0.956 514 Q CA 0.376 56.195 55.803 0.027 0.000 0.917 514 Q CB -0.327 28.436 28.738 0.042 0.000 0.997 514 Q HN 0.558 nan 8.270 nan 0.000 0.497 515 G N 0.713 109.529 108.800 0.026 0.000 2.692 515 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.248 515 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.248 515 G C 0.494 175.415 174.900 0.036 0.000 1.340 515 G CA -0.015 45.100 45.100 0.026 0.000 0.896 515 G HN 0.716 nan 8.290 nan 0.000 0.570 516 G N -0.976 107.843 108.800 0.033 0.000 2.578 516 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.313 516 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.313 516 G C 1.209 176.137 174.900 0.048 0.000 1.324 516 G CA 1.530 46.652 45.100 0.037 0.000 0.955 516 G HN 1.423 nan 8.290 nan 0.000 0.541 517 R N 0.055 120.587 120.500 0.054 0.000 2.105 517 R HA -0.015 4.325 4.340 -0.001 0.000 0.239 517 R C 3.233 179.588 176.300 0.092 0.000 1.135 517 R CA 1.889 58.027 56.100 0.064 0.000 0.967 517 R CB -0.640 29.702 30.300 0.070 0.000 0.861 517 R HN 0.677 nan 8.270 nan 0.000 0.442 518 A N 1.317 124.199 122.820 0.104 0.000 1.917 518 A HA -0.191 4.129 4.320 -0.001 0.000 0.219 518 A C 2.369 180.014 177.584 0.101 0.000 1.182 518 A CA 1.936 54.051 52.037 0.130 0.000 0.633 518 A CB -0.628 18.440 19.000 0.114 0.000 0.819 518 A HN 0.420 nan 8.150 nan 0.000 0.448 519 A N -1.379 121.482 122.820 0.069 0.000 1.929 519 A HA -0.014 4.306 4.320 -0.001 0.000 0.216 519 A C 2.260 179.878 177.584 0.057 0.000 1.176 519 A CA 2.080 54.146 52.037 0.048 0.000 0.628 519 A CB -1.199 17.820 19.000 0.032 0.000 0.816 519 A HN 0.429 nan 8.150 nan 0.000 0.444 520 T N -0.398 114.200 114.554 0.073 0.000 2.720 520 T HA -0.223 4.126 4.350 -0.001 0.000 0.268 520 T C 1.898 176.651 174.700 0.088 0.000 1.037 520 T CA 1.711 63.877 62.100 0.109 0.000 1.144 520 T CB -0.732 68.163 68.868 0.044 0.000 0.864 520 T HN 0.605 nan 8.240 nan 0.000 0.444 521 C N 1.262 120.587 119.300 0.043 0.000 2.432 521 C HA 0.073 4.532 4.460 -0.001 0.000 0.277 521 C C 3.083 178.055 174.990 -0.030 0.000 1.249 521 C CA 0.239 59.229 59.018 -0.046 0.000 1.725 521 C CB -1.603 26.117 27.740 -0.034 0.000 2.028 521 C HN 0.713 nan 8.230 nan 0.000 0.477 522 G N 0.589 109.428 108.800 0.065 0.000 2.514 522 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.217 522 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.217 522 G C 1.622 176.542 174.900 0.032 0.000 1.198 522 G CA 1.375 46.540 45.100 0.107 0.000 0.780 522 G HN 0.632 nan 8.290 nan 0.000 0.565 523 K N -0.864 119.514 120.400 -0.036 0.000 2.026 523 K HA -0.101 4.218 4.320 -0.001 0.000 0.208 523 K C 2.301 178.714 176.600 -0.311 0.000 1.048 523 K CA 1.342 57.530 56.287 -0.165 0.000 0.929 523 K CB -0.273 32.117 32.500 -0.184 0.000 0.713 523 K HN 0.442 nan 8.250 nan 0.000 0.439 524 Y N 0.712 120.816 120.300 -0.327 0.000 2.262 524 Y HA 0.004 4.554 4.550 -0.001 0.000 0.295 524 Y C 2.083 177.641 175.900 -0.570 0.000 1.121 524 Y CA 0.788 58.503 58.100 -0.641 0.000 1.144 524 Y CB -0.073 37.720 38.460 -1.112 0.000 1.043 524 Y HN -0.065 nan 8.280 nan 0.000 0.528 525 L N -1.728 119.289 121.223 -0.344 0.000 2.093 525 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 525 L C 0.896 177.457 176.870 -0.515 0.000 1.085 525 L CA 1.390 55.959 54.840 -0.452 0.000 0.755 525 L CB -0.422 41.092 42.059 -0.908 0.000 0.904 525 L HN 0.172 nan 8.230 nan 0.000 0.435 526 F N -1.492 118.386 119.950 -0.119 0.000 2.668 526 F HA 0.178 4.705 4.527 -0.001 0.000 0.301 526 F C 1.802 177.304 175.800 -0.496 0.000 1.106 526 F CA -0.327 57.441 58.000 -0.388 0.000 1.289 526 F CB -0.781 37.993 39.000 -0.376 0.000 1.006 526 F HN 0.038 nan 8.300 nan 0.000 0.535 527 N N 1.196 119.811 118.700 -0.142 0.000 2.272 527 N HA -0.195 4.544 4.740 -0.001 0.000 0.185 527 N C 1.865 177.343 175.510 -0.053 0.000 1.014 527 N CA 1.636 54.618 53.050 -0.113 0.000 0.870 527 N CB -0.117 38.316 38.487 -0.091 0.000 0.975 527 N HN 0.599 nan 8.380 nan 0.000 0.433 528 W N 0.113 121.450 121.300 0.062 0.000 2.525 528 W HA 0.096 4.755 4.660 -0.001 0.000 0.259 528 W C 1.411 177.982 176.519 0.086 0.000 1.253 528 W CA 0.550 57.939 57.345 0.074 0.000 1.262 528 W CB -0.579 28.942 29.460 0.101 0.000 1.122 528 W HN -0.024 nan 8.180 nan 0.000 0.607 529 A N 1.546 123.991 122.820 -0.624 0.000 2.132 529 A HA 0.189 4.508 4.320 -0.001 0.000 0.213 529 A C 1.112 178.553 177.584 -0.238 0.000 1.154 529 A CA 0.886 52.542 52.037 -0.635 0.000 0.753 529 A CB -0.828 17.502 19.000 -1.116 0.000 0.826 529 A HN 0.102 nan 8.150 nan 0.000 0.469 530 V N -1.715 118.095 119.914 -0.173 0.000 2.743 530 V HA 0.312 4.432 4.120 -0.001 0.000 0.301 530 V C 1.083 177.149 176.094 -0.046 0.000 1.057 530 V CA -0.337 61.899 62.300 -0.106 0.000 1.006 530 V CB 1.304 33.062 31.823 -0.109 0.000 1.024 530 V HN 0.530 nan 8.190 nan 0.000 0.473 531 K N 1.776 122.155 120.400 -0.035 0.000 2.062 531 K HA 0.005 4.324 4.320 -0.001 0.000 0.205 531 K C 0.518 177.103 176.600 -0.026 0.000 1.051 531 K CA 1.270 57.547 56.287 -0.016 0.000 0.941 531 K CB -0.548 31.946 32.500 -0.011 0.000 0.719 531 K HN 0.692 nan 8.250 nan 0.000 0.440 532 T N 2.471 117.004 114.554 -0.036 0.000 2.832 532 T HA 0.290 4.639 4.350 -0.001 0.000 0.313 532 T C -0.663 174.008 174.700 -0.048 0.000 1.035 532 T CA -0.773 61.304 62.100 -0.039 0.000 0.950 532 T CB 1.262 70.108 68.868 -0.036 0.000 0.984 532 T HN -0.018 nan 8.240 nan 0.000 0.486 533 K N 2.963 123.335 120.400 -0.046 0.000 2.382 533 K HA 0.302 4.621 4.320 -0.001 0.000 0.275 533 K C 0.541 177.104 176.600 -0.063 0.000 1.009 533 K CA -0.247 56.008 56.287 -0.052 0.000 0.970 533 K CB 0.298 32.776 32.500 -0.036 0.000 0.934 533 K HN 0.485 nan 8.250 nan 0.000 0.479 534 L N 1.514 122.684 121.223 -0.088 0.000 2.479 534 L HA 0.269 4.609 4.340 -0.001 0.000 0.248 534 L C 0.483 177.297 176.870 -0.093 0.000 1.205 534 L CA -0.767 54.014 54.840 -0.099 0.000 0.817 534 L CB 0.179 42.154 42.059 -0.140 0.000 1.162 534 L HN 0.364 nan 8.230 nan 0.000 0.486 535 K N 1.231 121.579 120.400 -0.086 0.000 2.156 535 K HA 0.506 4.826 4.320 -0.001 0.000 0.271 535 K C -0.904 175.626 176.600 -0.115 0.000 0.995 535 K CA -0.171 56.072 56.287 -0.072 0.000 0.890 535 K CB 0.798 33.281 32.500 -0.030 0.000 1.073 535 K HN 0.374 nan 8.250 nan 0.000 0.454 536 L N 3.519 124.687 121.223 -0.092 0.000 2.282 536 L HA 0.487 4.826 4.340 -0.001 0.000 0.288 536 L C 0.318 177.253 176.870 0.107 0.000 1.033 536 L CA -0.760 54.014 54.840 -0.110 0.000 0.807 536 L CB 1.556 43.560 42.059 -0.091 0.000 1.209 536 L HN 0.747 nan 8.230 nan 0.000 0.423 537 T N 0.524 115.197 114.554 0.198 0.000 2.916 537 T HA 0.590 4.940 4.350 -0.001 0.000 0.292 537 T C -2.730 172.112 174.700 0.236 0.000 1.055 537 T CA -2.383 59.824 62.100 0.178 0.000 1.009 537 T CB 1.949 70.880 68.868 0.106 0.000 1.118 537 T HN 0.164 nan 8.240 nan 0.000 0.497 538 P HA 0.114 nan 4.420 nan 0.000 0.263 538 P C -0.535 176.784 177.300 0.032 0.000 1.168 538 P CA 0.182 63.329 63.100 0.079 0.000 0.759 538 P CB 0.082 31.811 31.700 0.048 0.000 0.782 539 I N 5.783 126.309 120.570 -0.073 0.000 2.371 539 I HA 0.142 4.311 4.170 -0.001 0.000 0.290 539 I C -1.173 174.905 176.117 -0.066 0.000 1.028 539 I CA -1.945 59.278 61.300 -0.129 0.000 1.345 539 I CB 1.096 38.913 38.000 -0.306 0.000 1.407 539 I HN 0.328 nan 8.210 nan 0.000 0.501 540 P HA -0.191 nan 4.420 nan 0.000 0.214 540 P C 1.241 178.521 177.300 -0.032 0.000 1.163 540 P CA 1.057 64.143 63.100 -0.024 0.000 0.883 540 P CB 0.183 31.876 31.700 -0.011 0.000 0.788 541 A N -0.945 121.853 122.820 -0.037 0.000 2.263 541 A HA 0.143 4.462 4.320 -0.001 0.000 0.205 541 A C 2.004 179.560 177.584 -0.047 0.000 1.226 541 A CA 1.265 53.281 52.037 -0.034 0.000 0.810 541 A CB -1.288 17.696 19.000 -0.026 0.000 0.784 541 A HN 0.216 nan 8.150 nan 0.000 0.486 542 A N 0.153 122.939 122.820 -0.057 0.000 1.878 542 A HA 0.033 4.352 4.320 -0.001 0.000 0.213 542 A C 2.385 179.925 177.584 -0.074 0.000 1.192 542 A CA 1.579 53.574 52.037 -0.070 0.000 0.619 542 A CB -0.710 18.248 19.000 -0.069 0.000 0.837 542 A HN 0.940 nan 8.150 nan 0.000 0.446 543 S N -0.869 114.797 115.700 -0.056 0.000 2.527 543 S HA -0.078 4.392 4.470 -0.001 0.000 0.222 543 S C 1.783 176.355 174.600 -0.047 0.000 0.985 543 S CA 0.945 59.114 58.200 -0.052 0.000 0.921 543 S CB -0.202 62.976 63.200 -0.036 0.000 0.772 543 S HN 0.604 nan 8.310 nan 0.000 0.529 544 Q N 0.186 119.961 119.800 -0.041 0.000 2.297 544 Q HA 0.205 4.545 4.340 -0.001 0.000 0.204 544 Q C 0.125 176.102 176.000 -0.038 0.000 0.962 544 Q CA 0.277 56.060 55.803 -0.032 0.000 0.879 544 Q CB -0.024 28.700 28.738 -0.023 0.000 0.947 544 Q HN 0.571 nan 8.270 nan 0.000 0.462 545 L N 1.321 122.509 121.223 -0.058 0.000 2.395 545 L HA 0.119 4.458 4.340 -0.001 0.000 0.269 545 L C -0.091 176.723 176.870 -0.093 0.000 1.133 545 L CA -0.404 54.394 54.840 -0.071 0.000 0.812 545 L CB 0.850 42.851 42.059 -0.097 0.000 1.125 545 L HN -0.028 nan 8.230 nan 0.000 0.452 546 D N 2.987 123.345 120.400 -0.071 0.000 2.428 546 D HA 0.274 4.913 4.640 -0.001 0.000 0.221 546 D C 0.148 176.373 176.300 -0.124 0.000 1.123 546 D CA -0.034 53.926 54.000 -0.066 0.000 0.869 546 D CB 1.246 42.039 40.800 -0.011 0.000 1.032 546 D HN 0.282 nan 8.370 nan 0.000 0.506 547 L N 1.986 123.057 121.223 -0.253 0.000 2.717 547 L HA 0.104 4.443 4.340 -0.001 0.000 0.239 547 L C 1.039 177.737 176.870 -0.287 0.000 1.086 547 L CA -0.041 54.446 54.840 -0.589 0.000 0.897 547 L CB 0.020 41.584 42.059 -0.825 0.000 1.214 547 L HN 0.273 nan 8.230 nan 0.000 0.508 548 S N 0.096 115.726 115.700 -0.115 0.000 2.558 548 S HA 0.383 4.852 4.470 -0.001 0.000 0.291 548 S C 1.143 175.766 174.600 0.039 0.000 1.306 548 S CA 0.274 58.465 58.200 -0.014 0.000 1.056 548 S CB 0.746 63.942 63.200 -0.007 0.000 0.836 548 S HN 0.604 nan 8.310 nan 0.000 0.504 549 S N 0.775 116.516 115.700 0.068 0.000 2.252 549 S HA -0.121 4.348 4.470 -0.001 0.000 0.255 549 S C 0.671 175.298 174.600 0.045 0.000 1.283 549 S CA 0.798 59.006 58.200 0.013 0.000 1.272 549 S CB -2.521 nan 63.200 nan 0.000 1.577 549 S HN 0.821 nan 8.310 nan 0.000 0.626 550 W N 0.165 121.309 121.300 -0.260 0.000 2.494 550 W HA 0.548 5.207 4.660 -0.001 0.000 0.286 550 W C 0.399 176.493 176.519 -0.709 0.000 1.218 550 W CA 0.852 57.875 57.345 -0.537 0.000 1.313 550 W CB 0.045 28.909 29.460 -0.993 0.000 1.105 550 W HN 0.424 nan 8.180 nan 0.000 0.561 551 F N -0.364 119.763 119.950 0.295 0.000 2.660 551 F HA 0.336 4.863 4.527 -0.001 0.000 0.352 551 F C 0.412 176.336 175.800 0.207 0.000 1.257 551 F CA -0.723 57.431 58.000 0.257 0.000 1.200 551 F CB 0.049 39.157 39.000 0.181 0.000 1.473 551 F HN -0.404 nan 8.300 nan 0.000 0.561 552 V N 0.243 120.360 119.914 0.338 0.000 2.996 552 V HA 0.658 4.778 4.120 -0.001 0.000 0.235 552 V C 0.725 176.968 176.094 0.249 0.000 1.205 552 V CA 0.547 62.991 62.300 0.239 0.000 1.225 552 V CB 0.636 32.570 31.823 0.184 0.000 0.995 552 V HN 0.487 nan 8.190 nan 0.000 0.484 553 A N -0.593 122.344 122.820 0.196 0.000 2.606 553 A HA 0.776 5.095 4.320 -0.001 0.000 0.293 553 A C -0.276 176.999 177.584 -0.515 0.000 1.082 553 A CA 0.113 52.101 52.037 -0.081 0.000 0.685 553 A CB 1.143 19.921 19.000 -0.371 0.000 1.284 553 A HN 0.402 nan 8.150 nan 0.000 0.408 554 G N -1.191 107.004 108.800 -1.007 0.000 2.425 554 G HA2 0.541 4.501 3.960 -0.001 0.000 0.302 554 G HA3 0.541 4.501 3.960 -0.001 0.000 0.302 554 G C -0.877 173.405 174.900 -1.029 0.000 1.159 554 G CA -0.112 44.081 45.100 -1.511 0.000 0.865 554 G HN 0.649 nan 8.290 nan 0.000 0.515 555 Y N 0.152 120.246 120.300 -0.344 0.000 2.830 555 Y HA 0.281 4.830 4.550 -0.001 0.000 0.248 555 Y C 1.163 176.990 175.900 -0.123 0.000 1.119 555 Y CA -0.859 57.139 58.100 -0.170 0.000 1.164 555 Y CB 0.383 38.766 38.460 -0.128 0.000 1.237 555 Y HN 0.500 nan 8.280 nan 0.000 0.598 556 S N 0.790 116.463 115.700 -0.045 0.000 2.596 556 S HA 0.295 4.765 4.470 -0.001 0.000 0.298 556 S C 1.457 176.082 174.600 0.042 0.000 1.255 556 S CA 1.686 59.892 58.200 0.011 0.000 1.083 556 S CB -0.067 63.143 63.200 0.017 0.000 0.837 556 S HN 1.091 nan 8.310 nan 0.000 0.499 557 G N 3.667 112.495 108.800 0.046 0.000 2.212 557 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.266 557 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.266 557 G C 0.894 175.826 174.900 0.053 0.000 0.978 557 G CA 0.464 45.595 45.100 0.053 0.000 0.632 557 G HN 1.275 nan 8.290 nan 0.000 0.537 558 G N -0.108 108.729 108.800 0.061 0.000 2.813 558 G HA2 0.352 4.311 3.960 -0.001 0.000 0.209 558 G HA3 0.352 4.311 3.960 -0.001 0.000 0.209 558 G C 0.555 175.470 174.900 0.025 0.000 1.150 558 G CA 1.191 46.340 45.100 0.081 0.000 0.785 558 G HN 1.347 nan 8.290 nan 0.000 0.535 559 D N -0.730 119.655 120.400 -0.026 0.000 2.716 559 D HA -0.159 4.480 4.640 -0.001 0.000 0.239 559 D C -0.230 176.000 176.300 -0.116 0.000 1.125 559 D CA 0.291 54.252 54.000 -0.065 0.000 0.681 559 D CB -1.292 39.485 40.800 -0.038 0.000 1.070 559 D HN 0.109 nan 8.370 nan 0.000 0.432 560 I N 1.422 121.878 120.570 -0.190 0.000 2.404 560 I HA 0.316 4.485 4.170 -0.001 0.000 0.293 560 I C -0.075 175.802 176.117 -0.399 0.000 0.992 560 I CA -0.807 60.264 61.300 -0.381 0.000 1.149 560 I CB 1.195 38.779 38.000 -0.693 0.000 1.315 560 I HN 0.095 nan 8.210 nan 0.000 0.446 561 Y N 6.189 126.170 120.300 -0.531 0.000 2.328 561 Y HA 0.452 5.001 4.550 -0.001 0.000 0.337 561 Y C -0.369 175.201 175.900 -0.550 0.000 0.966 561 Y CA -0.252 57.564 58.100 -0.474 0.000 1.136 561 Y CB 0.824 39.098 38.460 -0.310 0.000 1.170 561 Y HN 0.602 nan 8.280 nan 0.000 0.470 562 H N 0.000 118.373 119.070 -1.161 0.000 2.539 562 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 562 H CA 0.000 55.422 56.048 -1.043 0.000 1.023 562 H CB 0.000 29.073 29.762 -1.149 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496