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 2hwh_1_A DATA FIRST_RESID 1 DATA SEQUENCE HHSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK 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 EDAASLRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHSL 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 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.265 175.328 -0.106 0.000 0.993 1 H CA 0.000 55.947 56.048 -0.168 0.000 1.023 1 H CB 0.000 29.707 29.762 -0.091 0.000 1.292 2 H N 1.054 120.130 119.070 0.009 0.000 2.582 2 H HA 0.103 4.659 4.556 -0.001 0.000 0.345 2 H C 1.481 176.728 175.328 -0.135 0.000 1.104 2 H CA 0.624 56.656 56.048 -0.028 0.000 1.390 2 H CB 1.453 31.205 29.762 -0.017 0.000 1.461 2 H HN 0.323 nan 8.280 nan 0.000 0.551 3 S N 2.131 117.760 115.700 -0.118 0.000 2.399 3 S HA -0.085 4.385 4.470 -0.001 0.000 0.231 3 S C 0.114 174.328 174.600 -0.643 0.000 1.022 3 S CA 0.981 58.939 58.200 -0.404 0.000 0.983 3 S CB -0.068 62.792 63.200 -0.566 0.000 0.803 3 S HN 0.545 nan 8.310 nan 0.000 0.480 4 Y N 0.448 120.644 120.300 -0.173 0.000 2.597 4 Y HA 0.551 5.100 4.550 -0.001 0.000 0.340 4 Y C -0.379 175.256 175.900 -0.441 0.000 1.097 4 Y CA -0.942 56.922 58.100 -0.392 0.000 1.037 4 Y CB 1.901 40.033 38.460 -0.546 0.000 1.305 4 Y HN 0.112 nan 8.280 nan 0.000 0.463 5 T N -2.269 111.993 114.554 -0.486 0.000 2.921 5 T HA 0.635 4.984 4.350 -0.001 0.000 0.297 5 T C -1.566 172.803 174.700 -0.553 0.000 1.013 5 T CA -0.845 61.051 62.100 -0.340 0.000 0.990 5 T CB 0.909 69.719 68.868 -0.096 0.000 1.023 5 T HN 0.501 nan 8.240 nan 0.000 0.447 6 W N 1.523 122.874 121.300 0.085 0.000 2.656 6 W HA 0.474 5.133 4.660 -0.001 0.000 0.327 6 W C 1.545 178.090 176.519 0.043 0.000 1.041 6 W CA -0.817 56.562 57.345 0.056 0.000 1.229 6 W CB 1.853 31.326 29.460 0.021 0.000 1.397 6 W HN 0.916 nan 8.180 nan 0.000 0.479 7 T N -1.613 113.098 114.554 0.261 0.000 2.896 7 T HA 0.227 4.577 4.350 -0.001 0.000 0.263 7 T C 1.465 176.251 174.700 0.143 0.000 1.050 7 T CA 1.393 63.588 62.100 0.158 0.000 1.140 7 T CB -0.180 68.760 68.868 0.121 0.000 0.877 7 T HN 1.125 nan 8.240 nan 0.000 0.457 8 G N 0.876 109.775 108.800 0.164 0.000 2.551 8 G HA2 0.180 4.140 3.960 -0.001 0.000 0.186 8 G HA3 0.180 4.140 3.960 -0.001 0.000 0.186 8 G C 0.304 175.240 174.900 0.059 0.000 1.002 8 G CA -0.111 45.045 45.100 0.093 0.000 0.723 8 G HN 0.980 nan 8.290 nan 0.000 0.481 9 A N 0.995 123.861 122.820 0.078 0.000 2.462 9 A HA 0.664 4.983 4.320 -0.001 0.000 0.243 9 A C 0.689 178.288 177.584 0.026 0.000 1.076 9 A CA 0.206 52.273 52.037 0.050 0.000 0.773 9 A CB 0.170 19.206 19.000 0.061 0.000 1.010 9 A HN 0.800 nan 8.150 nan 0.000 0.493 10 L N 1.859 123.082 121.223 -0.002 0.000 2.418 10 L HA 0.308 4.647 4.340 -0.001 0.000 0.265 10 L C 0.088 176.944 176.870 -0.023 0.000 1.143 10 L CA -0.344 54.476 54.840 -0.035 0.000 0.809 10 L CB 0.721 42.761 42.059 -0.032 0.000 1.124 10 L HN 0.547 nan 8.230 nan 0.000 0.456 11 I N 1.728 122.268 120.570 -0.051 0.000 2.363 11 I HA 0.065 4.234 4.170 -0.001 0.000 0.292 11 I C 0.653 176.764 176.117 -0.011 0.000 1.075 11 I CA -0.083 61.202 61.300 -0.026 0.000 1.333 11 I CB 0.596 38.565 38.000 -0.052 0.000 1.415 11 I HN 0.675 nan 8.210 nan 0.000 0.502 12 T N 5.208 119.765 114.554 0.005 0.000 2.918 12 T HA 0.533 4.883 4.350 -0.001 0.000 0.283 12 T C -2.397 172.316 174.700 0.022 0.000 1.001 12 T CA -1.848 60.258 62.100 0.011 0.000 1.041 12 T CB 1.665 70.540 68.868 0.011 0.000 1.028 12 T HN 0.304 nan 8.240 nan 0.000 0.511 13 P HA 0.282 nan 4.420 nan 0.000 0.284 13 P C 0.612 177.933 177.300 0.036 0.000 1.258 13 P CA -0.829 62.292 63.100 0.036 0.000 0.824 13 P CB 0.930 32.651 31.700 0.036 0.000 1.038 14 C N 0.247 119.573 119.300 0.044 0.000 2.693 14 C HA 0.806 5.266 4.460 -0.001 0.000 0.286 14 C C 0.654 175.664 174.990 0.035 0.000 1.277 14 C CA -0.142 58.899 59.018 0.040 0.000 1.705 14 C CB -1.443 26.328 27.740 0.052 0.000 1.879 14 C HN 0.731 nan 8.230 nan 0.000 0.607 15 A N -0.068 122.774 122.820 0.037 0.000 2.410 15 A HA 0.743 5.062 4.320 -0.001 0.000 0.300 15 A C -0.544 177.066 177.584 0.044 0.000 1.077 15 A CA -0.078 51.981 52.037 0.038 0.000 0.610 15 A CB -0.505 18.519 19.000 0.040 0.000 1.371 15 A HN 1.517 nan 8.150 nan 0.000 0.510 16 A N -0.094 122.754 122.820 0.047 0.000 2.462 16 A HA 0.543 4.862 4.320 -0.001 0.000 0.243 16 A C 0.026 177.653 177.584 0.072 0.000 1.076 16 A CA 0.512 52.582 52.037 0.055 0.000 0.773 16 A CB -0.204 18.829 19.000 0.054 0.000 1.010 16 A HN 0.607 nan 8.150 nan 0.000 0.493 17 E N 0.936 121.184 120.200 0.079 0.000 2.222 17 E HA 0.366 4.715 4.350 -0.001 0.000 0.267 17 E C -1.050 175.631 176.600 0.135 0.000 0.884 17 E CA -0.415 56.045 56.400 0.100 0.000 0.764 17 E CB 1.861 31.610 29.700 0.081 0.000 1.169 17 E HN 0.740 nan 8.360 nan 0.000 0.413 18 E N 0.991 121.314 120.200 0.205 0.000 2.166 18 E HA 0.163 4.513 4.350 -0.001 0.000 0.275 18 E C 0.070 176.892 176.600 0.370 0.000 0.941 18 E CA -0.165 56.400 56.400 0.274 0.000 0.784 18 E CB 1.518 31.417 29.700 0.333 0.000 1.115 18 E HN 0.564 nan 8.360 nan 0.000 0.399 19 S N 2.804 118.688 115.700 0.307 0.000 2.545 19 S HA 0.045 4.515 4.470 -0.001 0.000 0.232 19 S C 0.786 175.635 174.600 0.414 0.000 1.070 19 S CA -0.079 58.321 58.200 0.333 0.000 0.923 19 S CB 0.246 63.586 63.200 0.233 0.000 0.806 19 S HN 0.300 nan 8.310 nan 0.000 0.506 20 K N 1.646 122.216 120.400 0.283 0.000 2.249 20 K HA 0.298 4.617 4.320 -0.001 0.000 0.280 20 K C -0.540 176.101 176.600 0.068 0.000 1.033 20 K CA -0.786 55.622 56.287 0.200 0.000 0.946 20 K CB 0.611 33.171 32.500 0.100 0.000 1.005 20 K HN 0.260 nan 8.250 nan 0.000 0.469 21 L N 7.162 128.429 121.223 0.072 0.000 2.615 21 L HA 0.108 4.448 4.340 -0.001 0.000 0.271 21 L C -2.379 174.245 176.870 -0.409 0.000 1.183 21 L CA -0.707 54.003 54.840 -0.218 0.000 0.933 21 L CB 0.022 42.103 42.059 0.036 0.000 1.199 21 L HN 0.546 nan 8.230 nan 0.000 0.487 22 P HA 0.190 nan 4.420 nan 0.000 0.269 22 P C -0.972 176.106 177.300 -0.370 0.000 1.209 22 P CA 0.060 62.863 63.100 -0.494 0.000 0.776 22 P CB 0.561 31.896 31.700 -0.609 0.000 0.876 23 I N 2.611 123.021 120.570 -0.266 0.000 2.498 23 I HA 0.368 4.537 4.170 -0.001 0.000 0.290 23 I C 0.221 176.241 176.117 -0.162 0.000 1.032 23 I CA -0.648 60.500 61.300 -0.253 0.000 1.073 23 I CB 1.674 39.516 38.000 -0.263 0.000 1.251 23 I HN 0.481 nan 8.210 nan 0.000 0.426 24 N N 4.113 122.732 118.700 -0.135 0.000 3.283 24 N HA 0.479 5.219 4.740 -0.001 0.000 0.338 24 N C 0.366 175.842 175.510 -0.056 0.000 1.517 24 N CA -0.469 52.533 53.050 -0.081 0.000 0.733 24 N CB 0.532 38.977 38.487 -0.070 0.000 1.797 24 N HN 0.382 nan 8.380 nan 0.000 0.637 25 A N -0.734 122.064 122.820 -0.036 0.000 2.168 25 A HA 0.191 4.510 4.320 -0.001 0.000 0.215 25 A C 1.597 179.173 177.584 -0.014 0.000 1.152 25 A CA 0.687 52.711 52.037 -0.021 0.000 0.716 25 A CB -0.886 18.103 19.000 -0.018 0.000 0.794 25 A HN 0.524 nan 8.150 nan 0.000 0.465 26 L N -1.273 119.940 121.223 -0.017 0.000 2.554 26 L HA 0.054 4.394 4.340 -0.001 0.000 0.225 26 L C 2.340 179.241 176.870 0.053 0.000 1.104 26 L CA 0.384 55.231 54.840 0.010 0.000 0.866 26 L CB -0.108 41.937 42.059 -0.023 0.000 1.047 26 L HN 0.194 nan 8.230 nan 0.000 0.468 27 S N 0.719 116.422 115.700 0.005 0.000 2.353 27 S HA -0.167 4.302 4.470 -0.001 0.000 0.222 27 S C 1.734 176.376 174.600 0.069 0.000 1.035 27 S CA 1.570 59.766 58.200 -0.008 0.000 1.025 27 S CB -0.304 62.806 63.200 -0.151 0.000 0.902 27 S HN 0.469 nan 8.310 nan 0.000 0.440 28 N N 1.682 120.440 118.700 0.097 0.000 2.149 28 N HA -0.092 4.648 4.740 -0.001 0.000 0.188 28 N C 1.925 177.466 175.510 0.051 0.000 1.019 28 N CA 1.483 54.609 53.050 0.127 0.000 0.857 28 N CB -0.612 37.932 38.487 0.096 0.000 0.997 28 N HN 0.599 nan 8.380 nan 0.000 0.426 29 S N -0.153 115.564 115.700 0.029 0.000 2.469 29 S HA -0.065 4.404 4.470 -0.001 0.000 0.238 29 S C 1.794 176.384 174.600 -0.017 0.000 0.998 29 S CA 0.519 58.704 58.200 -0.025 0.000 0.957 29 S CB -0.119 63.079 63.200 -0.003 0.000 0.764 29 S HN 0.269 nan 8.310 nan 0.000 0.514 30 L N -0.258 120.987 121.223 0.037 0.000 2.347 30 L HA 0.604 4.943 4.340 -0.001 0.000 0.196 30 L C 0.111 177.032 176.870 0.085 0.000 1.072 30 L CA 0.654 55.523 54.840 0.047 0.000 0.817 30 L CB 0.283 42.179 42.059 -0.271 0.000 1.029 30 L HN 0.480 nan 8.230 nan 0.000 0.478 31 L N -0.777 120.494 121.223 0.080 0.000 2.464 31 L HA 0.427 4.767 4.340 -0.001 0.000 0.266 31 L C 0.347 177.302 176.870 0.142 0.000 0.965 31 L CA -0.473 54.422 54.840 0.091 0.000 0.833 31 L CB 1.704 43.837 42.059 0.124 0.000 1.296 31 L HN 0.040 nan 8.230 nan 0.000 0.405 32 R N 1.281 121.755 120.500 -0.042 0.000 2.146 32 R HA 0.166 4.505 4.340 -0.001 0.000 0.206 32 R C 0.089 176.206 176.300 -0.305 0.000 1.049 32 R CA 0.176 56.170 56.100 -0.177 0.000 1.029 32 R CB 0.151 30.379 30.300 -0.120 0.000 0.949 32 R HN 0.661 nan 8.270 nan 0.000 0.471 33 H N 0.935 119.915 119.070 -0.149 0.000 3.220 33 H HA 0.056 4.611 4.556 -0.001 0.000 0.225 33 H C 0.511 175.848 175.328 0.014 0.000 1.869 33 H CA -0.351 55.637 56.048 -0.100 0.000 1.428 33 H CB -0.130 29.624 29.762 -0.014 0.000 1.792 33 H HN 0.380 nan 8.280 nan 0.000 0.595 34 H N 0.805 119.969 119.070 0.157 0.000 2.352 34 H HA -0.149 4.407 4.556 -0.001 0.000 0.299 34 H C 1.517 176.921 175.328 0.128 0.000 1.097 34 H CA 0.668 56.785 56.048 0.116 0.000 1.311 34 H CB 0.270 30.075 29.762 0.072 0.000 1.377 34 H HN 0.530 nan 8.280 nan 0.000 0.504 35 N N 0.606 119.432 118.700 0.209 0.000 2.585 35 N HA -0.094 4.646 4.740 -0.001 0.000 0.188 35 N C 1.211 176.818 175.510 0.162 0.000 1.102 35 N CA 0.871 54.014 53.050 0.155 0.000 0.920 35 N CB 0.005 38.543 38.487 0.084 0.000 0.963 35 N HN 0.526 nan 8.380 nan 0.000 0.447 36 M N -0.006 119.709 119.600 0.192 0.000 2.502 36 M HA 0.087 4.566 4.480 -0.001 0.000 0.243 36 M C -0.050 176.422 176.300 0.286 0.000 1.130 36 M CA 0.274 55.694 55.300 0.200 0.000 1.055 36 M CB 0.732 33.443 32.600 0.185 0.000 1.457 36 M HN -0.246 nan 8.290 nan 0.000 0.488 37 V N 1.132 121.234 119.914 0.313 0.000 2.435 37 V HA 0.389 4.508 4.120 -0.001 0.000 0.290 37 V C -0.810 175.563 176.094 0.465 0.000 1.030 37 V CA -0.735 61.779 62.300 0.356 0.000 0.881 37 V CB 1.014 33.018 31.823 0.302 0.000 0.983 37 V HN 0.311 nan 8.190 nan 0.000 0.445 38 Y N 2.599 123.047 120.300 0.247 0.000 2.655 38 Y HA 0.936 5.485 4.550 -0.001 0.000 0.336 38 Y C -0.536 175.441 175.900 0.128 0.000 1.154 38 Y CA -1.716 56.537 58.100 0.255 0.000 1.055 38 Y CB 1.526 40.098 38.460 0.188 0.000 1.295 38 Y HN 0.702 nan 8.280 nan 0.000 0.465 39 A N 1.166 123.981 122.820 -0.008 0.000 2.371 39 A HA 0.688 5.008 4.320 -0.001 0.000 0.311 39 A C -0.284 177.294 177.584 -0.011 0.000 1.068 39 A CA -0.415 51.430 52.037 -0.319 0.000 0.744 39 A CB 0.600 19.247 19.000 -0.588 0.000 1.239 39 A HN 1.121 nan 8.150 nan 0.000 0.435 40 T N 0.165 114.701 114.554 -0.030 0.000 2.898 40 T HA 0.584 4.934 4.350 -0.001 0.000 0.301 40 T C 0.506 175.246 174.700 0.068 0.000 1.049 40 T CA 0.425 62.599 62.100 0.124 0.000 1.095 40 T CB 0.869 69.831 68.868 0.156 0.000 0.976 40 T HN 1.489 nan 8.240 nan 0.000 0.539 41 T N -1.624 112.984 114.554 0.090 0.000 2.654 41 T HA 0.462 4.811 4.350 -0.001 0.000 0.289 41 T C 1.246 175.976 174.700 0.049 0.000 1.062 41 T CA -0.460 61.678 62.100 0.065 0.000 1.041 41 T CB 0.946 69.861 68.868 0.078 0.000 1.417 41 T HN 0.359 nan 8.240 nan 0.000 0.510 42 S N -0.332 115.390 115.700 0.037 0.000 2.402 42 S HA -0.016 4.453 4.470 -0.001 0.000 0.229 42 S C 1.987 176.591 174.600 0.006 0.000 1.021 42 S CA 0.676 58.886 58.200 0.017 0.000 0.974 42 S CB -0.484 62.725 63.200 0.015 0.000 0.800 42 S HN 0.597 nan 8.310 nan 0.000 0.484 43 R N 1.390 121.903 120.500 0.021 0.000 2.276 43 R HA -0.099 4.240 4.340 -0.001 0.000 0.243 43 R C 1.750 178.052 176.300 0.002 0.000 1.161 43 R CA 1.514 57.623 56.100 0.013 0.000 1.007 43 R CB -0.282 30.036 30.300 0.029 0.000 0.867 43 R HN 0.534 nan 8.270 nan 0.000 0.472 44 S N -2.050 113.654 115.700 0.007 0.000 2.559 44 S HA 0.265 4.735 4.470 -0.001 0.000 0.226 44 S C 1.629 176.209 174.600 -0.034 0.000 1.000 44 S CA 0.075 58.273 58.200 -0.004 0.000 0.948 44 S CB 1.095 64.312 63.200 0.028 0.000 0.870 44 S HN 0.250 nan 8.310 nan 0.000 0.497 45 A N 2.220 125.011 122.820 -0.049 0.000 1.948 45 A HA 0.104 4.424 4.320 -0.001 0.000 0.220 45 A C 2.242 179.724 177.584 -0.171 0.000 1.177 45 A CA 1.796 53.776 52.037 -0.096 0.000 0.636 45 A CB -1.670 17.272 19.000 -0.097 0.000 0.815 45 A HN 0.659 nan 8.150 nan 0.000 0.449 46 G N -0.440 108.265 108.800 -0.158 0.000 2.418 46 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.217 46 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.217 46 G C 1.560 176.358 174.900 -0.169 0.000 1.158 46 G CA 0.998 45.978 45.100 -0.199 0.000 0.771 46 G HN 0.444 nan 8.290 nan 0.000 0.545 47 L N -0.289 120.872 121.223 -0.103 0.000 2.083 47 L HA -0.033 4.306 4.340 -0.001 0.000 0.209 47 L C 2.958 179.789 176.870 -0.065 0.000 1.083 47 L CA 1.208 56.007 54.840 -0.068 0.000 0.752 47 L CB -0.174 41.863 42.059 -0.036 0.000 0.899 47 L HN 0.184 nan 8.230 nan 0.000 0.433 48 R N 0.156 120.610 120.500 -0.076 0.000 2.092 48 R HA -0.151 4.189 4.340 -0.001 0.000 0.231 48 R C 2.166 178.409 176.300 -0.096 0.000 1.119 48 R CA 1.422 57.489 56.100 -0.055 0.000 0.970 48 R CB -0.292 29.982 30.300 -0.044 0.000 0.864 48 R HN 0.378 nan 8.270 nan 0.000 0.440 49 Q N 0.074 119.729 119.800 -0.241 0.000 2.181 49 Q HA -0.167 4.173 4.340 -0.001 0.000 0.205 49 Q C 1.711 177.627 176.000 -0.141 0.000 0.980 49 Q CA 1.921 57.488 55.803 -0.393 0.000 0.862 49 Q CB -0.037 28.148 28.738 -0.922 0.000 0.905 49 Q HN 0.401 nan 8.270 nan 0.000 0.429 50 K N 0.611 120.955 120.400 -0.092 0.000 2.116 50 K HA -0.053 4.266 4.320 -0.001 0.000 0.203 50 K C 1.861 178.524 176.600 0.105 0.000 1.052 50 K CA 0.779 57.074 56.287 0.013 0.000 0.952 50 K CB 0.026 32.519 32.500 -0.012 0.000 0.729 50 K HN 0.069 nan 8.250 nan 0.000 0.446 51 K N 1.008 121.466 120.400 0.096 0.000 2.217 51 K HA -0.057 4.263 4.320 -0.001 0.000 0.202 51 K C 1.951 178.739 176.600 0.313 0.000 1.051 51 K CA 1.262 57.650 56.287 0.167 0.000 0.952 51 K CB 0.135 32.702 32.500 0.112 0.000 0.736 51 K HN 0.114 nan 8.250 nan 0.000 0.453 52 V N -2.102 117.966 119.914 0.256 0.000 3.647 52 V HA 0.105 4.225 4.120 -0.001 0.000 0.279 52 V C 0.337 176.518 176.094 0.145 0.000 1.314 52 V CA -0.028 62.444 62.300 0.286 0.000 1.125 52 V CB 0.327 32.294 31.823 0.240 0.000 0.907 52 V HN -0.088 nan 8.190 nan 0.000 0.434 53 T N 4.603 119.296 114.554 0.232 0.000 2.832 53 T HA 0.710 5.059 4.350 -0.001 0.000 0.313 53 T C -0.751 174.035 174.700 0.143 0.000 1.035 53 T CA -0.025 62.194 62.100 0.197 0.000 0.950 53 T CB -0.008 69.099 68.868 0.399 0.000 0.984 53 T HN 0.618 nan 8.240 nan 0.000 0.486 54 F N -0.148 119.900 119.950 0.164 0.000 2.741 54 F HA 0.678 5.204 4.527 -0.001 0.000 0.313 54 F C -1.071 174.859 175.800 0.217 0.000 1.153 54 F CA -1.922 56.147 58.000 0.114 0.000 0.931 54 F CB 0.743 39.807 39.000 0.106 0.000 1.335 54 F HN 0.186 nan 8.300 nan 0.000 0.460 55 D N 0.711 121.454 120.400 0.573 0.000 2.277 55 D HA 0.474 5.114 4.640 -0.001 0.000 0.249 55 D C -0.841 175.701 176.300 0.404 0.000 1.134 55 D CA -0.033 54.279 54.000 0.520 0.000 0.863 55 D CB 0.792 41.856 40.800 0.440 0.000 1.143 55 D HN 0.536 nan 8.370 nan 0.000 0.458 56 R N 2.626 123.297 120.500 0.286 0.000 2.407 56 R HA 0.666 5.006 4.340 -0.001 0.000 0.303 56 R C -0.986 175.346 176.300 0.054 0.000 0.981 56 R CA -0.685 55.532 56.100 0.195 0.000 0.905 56 R CB 1.050 31.438 30.300 0.146 0.000 1.099 56 R HN 0.384 nan 8.270 nan 0.000 0.459 57 L N 1.504 122.735 121.223 0.012 0.000 2.386 57 L HA 0.469 4.809 4.340 -0.001 0.000 0.271 57 L C -0.842 175.981 176.870 -0.078 0.000 0.993 57 L CA -0.178 54.624 54.840 -0.064 0.000 0.819 57 L CB 2.065 44.107 42.059 -0.029 0.000 1.294 57 L HN 0.519 nan 8.230 nan 0.000 0.414 58 Q N 2.238 121.964 119.800 -0.123 0.000 2.347 58 Q HA 0.687 5.026 4.340 -0.001 0.000 0.271 58 Q C -1.670 174.263 176.000 -0.112 0.000 1.064 58 Q CA -0.727 55.010 55.803 -0.110 0.000 0.800 58 Q CB 3.180 31.836 28.738 -0.136 0.000 1.304 58 Q HN 0.353 nan 8.270 nan 0.000 0.438 59 V N 4.368 124.230 119.914 -0.086 0.000 2.380 59 V HA 0.367 4.486 4.120 -0.001 0.000 0.286 59 V C -0.689 175.374 176.094 -0.051 0.000 1.015 59 V CA -0.499 61.755 62.300 -0.077 0.000 0.834 59 V CB 1.268 33.047 31.823 -0.072 0.000 1.009 59 V HN 0.622 nan 8.190 nan 0.000 0.428 60 L N 5.489 126.635 121.223 -0.128 0.000 2.257 60 L HA 0.558 4.897 4.340 -0.001 0.000 0.290 60 L C 0.071 176.924 176.870 -0.028 0.000 1.044 60 L CA -0.510 54.202 54.840 -0.213 0.000 0.810 60 L CB 1.245 43.008 42.059 -0.493 0.000 1.193 60 L HN 0.700 nan 8.230 nan 0.000 0.425 61 D N 0.211 120.676 120.400 0.107 0.000 2.564 61 D HA 0.147 4.786 4.640 -0.001 0.000 0.273 61 D C 0.425 176.795 176.300 0.118 0.000 1.192 61 D CA -0.660 53.399 54.000 0.099 0.000 1.080 61 D CB 0.784 41.651 40.800 0.113 0.000 1.160 61 D HN 0.255 nan 8.370 nan 0.000 0.607 62 D N -1.419 119.000 120.400 0.031 0.000 2.144 62 D HA -0.158 4.482 4.640 -0.001 0.000 0.199 62 D C 1.738 178.057 176.300 0.031 0.000 0.984 62 D CA 1.122 55.117 54.000 -0.009 0.000 0.834 62 D CB -0.156 40.580 40.800 -0.107 0.000 0.955 62 D HN 0.398 nan 8.370 nan 0.000 0.465 63 H N -0.289 118.841 119.070 0.101 0.000 2.352 63 H HA -0.157 4.398 4.556 -0.001 0.000 0.299 63 H C 2.026 177.390 175.328 0.060 0.000 1.097 63 H CA 1.014 57.113 56.048 0.084 0.000 1.311 63 H CB -0.648 29.184 29.762 0.118 0.000 1.377 63 H HN 0.324 nan 8.280 nan 0.000 0.504 64 Y N 1.917 122.254 120.300 0.061 0.000 2.070 64 Y HA -0.254 4.296 4.550 -0.001 0.000 0.280 64 Y C 2.748 178.601 175.900 -0.079 0.000 1.148 64 Y CA 1.788 59.804 58.100 -0.140 0.000 1.125 64 Y CB -0.169 38.134 38.460 -0.261 0.000 0.975 64 Y HN -0.052 nan 8.280 nan 0.000 0.492 65 R N 0.109 120.686 120.500 0.128 0.000 2.105 65 R HA -0.167 4.172 4.340 -0.001 0.000 0.239 65 R C 1.722 177.997 176.300 -0.041 0.000 1.135 65 R CA 1.527 57.638 56.100 0.018 0.000 0.967 65 R CB -0.360 29.993 30.300 0.088 0.000 0.861 65 R HN 0.451 nan 8.270 nan 0.000 0.442 66 D N -0.053 120.346 120.400 -0.002 0.000 2.117 66 D HA -0.108 4.532 4.640 -0.001 0.000 0.198 66 D C 1.939 178.222 176.300 -0.027 0.000 0.982 66 D CA 0.944 54.945 54.000 0.002 0.000 0.828 66 D CB -0.159 40.669 40.800 0.046 0.000 0.967 66 D HN -0.000 nan 8.370 nan 0.000 0.464 67 V N 1.029 120.906 119.914 -0.061 0.000 2.358 67 V HA -0.186 3.934 4.120 -0.001 0.000 0.246 67 V C 2.422 178.444 176.094 -0.120 0.000 1.047 67 V CA 0.944 63.191 62.300 -0.088 0.000 1.035 67 V CB -0.427 31.310 31.823 -0.142 0.000 0.658 67 V HN 0.139 nan 8.190 nan 0.000 0.452 68 L N 0.563 121.650 121.223 -0.227 0.000 2.042 68 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 68 L C 2.385 179.186 176.870 -0.116 0.000 1.076 68 L CA 2.189 56.894 54.840 -0.225 0.000 0.749 68 L CB -0.798 41.063 42.059 -0.331 0.000 0.893 68 L HN 0.249 nan 8.230 nan 0.000 0.432 69 K N -0.605 119.745 120.400 -0.083 0.000 2.097 69 K HA -0.199 4.120 4.320 -0.001 0.000 0.206 69 K C 1.946 178.526 176.600 -0.032 0.000 1.049 69 K CA 1.748 58.007 56.287 -0.047 0.000 0.933 69 K CB -0.054 32.428 32.500 -0.029 0.000 0.717 69 K HN 0.512 nan 8.250 nan 0.000 0.442 70 E N 0.100 120.285 120.200 -0.025 0.000 2.072 70 E HA -0.165 4.184 4.350 -0.001 0.000 0.191 70 E C 2.038 178.634 176.600 -0.007 0.000 0.985 70 E CA 1.439 57.836 56.400 -0.005 0.000 0.801 70 E CB -0.028 29.681 29.700 0.015 0.000 0.750 70 E HN 0.324 nan 8.360 nan 0.000 0.452 71 M N 0.505 120.098 119.600 -0.012 0.000 2.159 71 M HA -0.160 4.320 4.480 -0.001 0.000 0.263 71 M C 2.089 178.362 176.300 -0.045 0.000 1.063 71 M CA 1.399 56.685 55.300 -0.023 0.000 1.110 71 M CB -0.103 32.484 32.600 -0.021 0.000 1.374 71 M HN -0.065 nan 8.290 nan 0.000 0.411 72 K N 0.251 120.622 120.400 -0.047 0.000 2.148 72 K HA -0.039 4.281 4.320 -0.001 0.000 0.204 72 K C 2.084 178.667 176.600 -0.029 0.000 1.050 72 K CA 1.238 57.500 56.287 -0.043 0.000 0.942 72 K CB -0.170 32.304 32.500 -0.044 0.000 0.724 72 K HN 0.287 nan 8.250 nan 0.000 0.446 73 A N 1.697 124.503 122.820 -0.023 0.000 1.930 73 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 73 A C 1.834 179.407 177.584 -0.018 0.000 1.175 73 A CA 1.361 53.388 52.037 -0.016 0.000 0.627 73 A CB -0.150 18.844 19.000 -0.010 0.000 0.815 73 A HN 0.152 nan 8.150 nan 0.000 0.443 74 K N -0.520 119.866 120.400 -0.024 0.000 2.116 74 K HA 0.075 4.394 4.320 -0.001 0.000 0.203 74 K C 2.239 178.817 176.600 -0.036 0.000 1.052 74 K CA 0.855 57.123 56.287 -0.031 0.000 0.952 74 K CB -0.230 32.244 32.500 -0.043 0.000 0.729 74 K HN 0.412 nan 8.250 nan 0.000 0.446 75 A N 1.085 123.883 122.820 -0.038 0.000 2.019 75 A HA -0.116 4.203 4.320 -0.001 0.000 0.219 75 A C 2.068 179.643 177.584 -0.014 0.000 1.164 75 A CA 1.541 53.560 52.037 -0.030 0.000 0.644 75 A CB -0.345 18.639 19.000 -0.027 0.000 0.805 75 A HN 0.131 nan 8.150 nan 0.000 0.449 76 S N -0.396 115.296 115.700 -0.013 0.000 2.474 76 S HA -0.093 4.376 4.470 -0.001 0.000 0.235 76 S C 1.958 176.555 174.600 -0.005 0.000 0.997 76 S CA 1.540 59.737 58.200 -0.005 0.000 0.949 76 S CB -0.412 62.785 63.200 -0.005 0.000 0.766 76 S HN 0.903 nan 8.310 nan 0.000 0.517 77 T N -0.602 113.946 114.554 -0.011 0.000 3.148 77 T HA 0.187 4.537 4.350 -0.001 0.000 0.253 77 T C 0.491 175.184 174.700 -0.012 0.000 1.134 77 T CA -0.089 62.004 62.100 -0.011 0.000 1.051 77 T CB -0.305 68.555 68.868 -0.014 0.000 0.959 77 T HN 0.008 nan 8.240 nan 0.000 0.525 78 V N 1.984 121.890 119.914 -0.014 0.000 2.583 78 V HA 0.388 4.507 4.120 -0.001 0.000 0.287 78 V C 0.238 176.330 176.094 -0.004 0.000 1.051 78 V CA -0.673 61.618 62.300 -0.015 0.000 1.010 78 V CB 1.302 33.113 31.823 -0.021 0.000 0.988 78 V HN 0.280 nan 8.190 nan 0.000 0.478 79 K N 3.415 123.812 120.400 -0.005 0.000 2.483 79 K HA 0.691 5.011 4.320 -0.001 0.000 0.256 79 K C -0.678 175.923 176.600 0.003 0.000 0.961 79 K CA -0.292 55.997 56.287 0.003 0.000 0.873 79 K CB 1.723 34.225 32.500 0.003 0.000 1.107 79 K HN 0.824 nan 8.250 nan 0.000 0.432 80 A N 4.009 126.835 122.820 0.009 0.000 2.324 80 A HA 0.512 4.832 4.320 -0.001 0.000 0.330 80 A C -0.569 177.028 177.584 0.023 0.000 1.165 80 A CA -0.773 51.270 52.037 0.010 0.000 0.813 80 A CB 0.751 19.754 19.000 0.004 0.000 1.197 80 A HN 0.748 nan 8.150 nan 0.000 0.484 81 K N 2.220 122.636 120.400 0.026 0.000 2.118 81 K HA 0.710 5.029 4.320 -0.001 0.000 0.254 81 K C -1.126 175.497 176.600 0.038 0.000 0.961 81 K CA -0.647 55.658 56.287 0.030 0.000 0.876 81 K CB 1.302 33.816 32.500 0.024 0.000 1.077 81 K HN 0.544 nan 8.250 nan 0.000 0.440 82 L N 2.470 123.712 121.223 0.030 0.000 2.371 82 L HA 0.190 4.529 4.340 -0.001 0.000 0.272 82 L C -0.436 176.418 176.870 -0.026 0.000 1.124 82 L CA -0.961 53.889 54.840 0.016 0.000 0.816 82 L CB 0.821 42.890 42.059 0.017 0.000 1.129 82 L HN 0.558 nan 8.230 nan 0.000 0.448 83 L N 2.634 123.821 121.223 -0.059 0.000 2.325 83 L HA 0.303 4.643 4.340 -0.001 0.000 0.279 83 L C 0.362 177.125 176.870 -0.179 0.000 1.054 83 L CA 0.263 55.050 54.840 -0.087 0.000 0.804 83 L CB 1.767 43.784 42.059 -0.069 0.000 1.200 83 L HN 0.694 nan 8.230 nan 0.000 0.436 84 S N 2.012 117.620 115.700 -0.153 0.000 2.600 84 S HA 0.195 4.665 4.470 -0.001 0.000 0.265 84 S C 1.241 175.704 174.600 -0.228 0.000 1.325 84 S CA -0.645 57.444 58.200 -0.184 0.000 1.002 84 S CB 0.961 64.092 63.200 -0.115 0.000 0.921 84 S HN 0.372 nan 8.310 nan 0.000 0.554 85 V N 1.334 121.086 119.914 -0.270 0.000 2.469 85 V HA -0.160 3.959 4.120 -0.001 0.000 0.251 85 V C 2.708 178.700 176.094 -0.169 0.000 1.064 85 V CA 2.298 64.428 62.300 -0.284 0.000 1.066 85 V CB -1.317 30.296 31.823 -0.350 0.000 0.667 85 V HN 1.043 nan 8.190 nan 0.000 0.461 86 E N 0.300 120.427 120.200 -0.121 0.000 2.047 86 E HA -0.238 4.111 4.350 -0.001 0.000 0.191 86 E C 2.178 178.719 176.600 -0.097 0.000 0.987 86 E CA 1.483 57.830 56.400 -0.087 0.000 0.799 86 E CB -0.038 29.625 29.700 -0.063 0.000 0.752 86 E HN 0.732 nan 8.360 nan 0.000 0.449 87 E N 0.349 120.483 120.200 -0.110 0.000 2.051 87 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 87 E C 2.110 178.615 176.600 -0.159 0.000 0.991 87 E CA 0.938 57.266 56.400 -0.120 0.000 0.799 87 E CB -0.189 29.443 29.700 -0.112 0.000 0.748 87 E HN 0.348 nan 8.360 nan 0.000 0.449 88 A N 0.968 123.685 122.820 -0.172 0.000 1.917 88 A HA -0.243 4.076 4.320 -0.001 0.000 0.219 88 A C 2.448 179.945 177.584 -0.145 0.000 1.182 88 A CA 1.458 53.385 52.037 -0.182 0.000 0.633 88 A CB -1.049 17.852 19.000 -0.164 0.000 0.819 88 A HN 0.389 nan 8.150 nan 0.000 0.448 89 C N -0.746 118.485 119.300 -0.115 0.000 2.413 89 C HA -0.105 4.354 4.460 -0.001 0.000 0.276 89 C C 2.595 177.542 174.990 -0.071 0.000 1.236 89 C CA 1.475 60.445 59.018 -0.079 0.000 1.735 89 C CB -1.128 26.570 27.740 -0.070 0.000 2.031 89 C HN 0.631 nan 8.230 nan 0.000 0.474 90 K N 0.496 120.852 120.400 -0.074 0.000 2.442 90 K HA 0.015 4.335 4.320 -0.001 0.000 0.198 90 K C 1.333 177.920 176.600 -0.022 0.000 1.042 90 K CA 0.754 57.017 56.287 -0.041 0.000 0.958 90 K CB -0.133 32.342 32.500 -0.042 0.000 0.766 90 K HN 0.524 nan 8.250 nan 0.000 0.474 91 L N 0.470 121.635 121.223 -0.096 0.000 2.592 91 L HA 0.045 4.385 4.340 -0.001 0.000 0.227 91 L C 0.096 176.919 176.870 -0.079 0.000 1.127 91 L CA 0.070 54.830 54.840 -0.133 0.000 0.884 91 L CB 0.207 42.059 42.059 -0.345 0.000 1.065 91 L HN -0.018 nan 8.230 nan 0.000 0.457 92 T N 1.847 116.366 114.554 -0.059 0.000 2.749 92 T HA 0.215 4.565 4.350 -0.001 0.000 0.295 92 T C -2.334 172.293 174.700 -0.122 0.000 0.936 92 T CA -1.158 60.901 62.100 -0.069 0.000 1.060 92 T CB 1.056 69.891 68.868 -0.055 0.000 0.904 92 T HN -0.148 nan 8.240 nan 0.000 0.500 93 P HA 0.091 nan 4.420 nan 0.000 0.264 93 P C -1.853 175.264 177.300 -0.306 0.000 1.193 93 P CA -1.149 61.787 63.100 -0.274 0.000 0.763 93 P CB 0.229 31.859 31.700 -0.118 0.000 0.810 94 P HA -0.192 nan 4.420 nan 0.000 0.217 94 P C 0.208 177.334 177.300 -0.290 0.000 1.151 94 P CA 1.749 64.650 63.100 -0.331 0.000 0.849 94 P CB -0.145 31.380 31.700 -0.292 0.000 0.787 95 H N -2.539 116.414 119.070 -0.194 0.000 2.472 95 H HA 0.309 4.864 4.556 -0.001 0.000 0.287 95 H C 0.485 175.739 175.328 -0.123 0.000 1.112 95 H CA -0.417 55.553 56.048 -0.129 0.000 1.021 95 H CB -0.370 29.330 29.762 -0.104 0.000 1.635 95 H HN -0.024 nan 8.280 nan 0.000 0.559 96 S N 0.920 116.589 115.700 -0.050 0.000 2.584 96 S HA 0.403 4.872 4.470 -0.001 0.000 0.270 96 S C 0.807 175.359 174.600 -0.080 0.000 1.346 96 S CA -0.435 57.717 58.200 -0.080 0.000 1.018 96 S CB 0.361 63.511 63.200 -0.083 0.000 0.899 96 S HN 0.523 nan 8.310 nan 0.000 0.542 97 A N 3.929 126.680 122.820 -0.116 0.000 2.545 97 A HA 0.228 4.547 4.320 -0.001 0.000 0.253 97 A C 0.630 178.181 177.584 -0.054 0.000 1.074 97 A CA -0.055 51.932 52.037 -0.084 0.000 0.760 97 A CB -0.491 18.439 19.000 -0.116 0.000 1.005 97 A HN 0.870 nan 8.150 nan 0.000 0.506 98 K N 2.519 122.879 120.400 -0.067 0.000 2.336 98 K HA 0.289 4.608 4.320 -0.001 0.000 0.262 98 K C 0.383 176.884 176.600 -0.166 0.000 0.992 98 K CA 0.131 56.346 56.287 -0.120 0.000 0.927 98 K CB 0.432 32.862 32.500 -0.116 0.000 0.956 98 K HN 0.456 nan 8.250 nan 0.000 0.495 99 S N 0.079 115.573 115.700 -0.343 0.000 2.603 99 S HA 0.065 4.534 4.470 -0.001 0.000 0.268 99 S C 0.417 174.787 174.600 -0.384 0.000 1.317 99 S CA -0.687 57.273 58.200 -0.399 0.000 1.012 99 S CB 0.488 63.177 63.200 -0.852 0.000 0.926 99 S HN 0.741 nan 8.310 nan 0.000 0.539 100 K N 1.495 121.616 120.400 -0.465 0.000 2.446 100 K HA 0.210 4.529 4.320 -0.001 0.000 0.203 100 K C -0.604 175.529 176.600 -0.777 0.000 1.027 100 K CA 0.226 56.169 56.287 -0.574 0.000 1.166 100 K CB -0.156 31.980 32.500 -0.608 0.000 0.869 100 K HN 0.467 nan 8.250 nan 0.000 0.504 101 F N 1.012 120.792 119.950 -0.284 0.000 2.855 101 F HA 0.354 4.881 4.527 -0.001 0.000 0.317 101 F C 0.939 176.658 175.800 -0.135 0.000 1.169 101 F CA -0.702 57.151 58.000 -0.244 0.000 1.299 101 F CB 1.258 39.966 39.000 -0.486 0.000 0.962 101 F HN 0.293 nan 8.300 nan 0.000 0.506 102 G N 0.738 109.524 108.800 -0.024 0.000 2.142 102 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.225 102 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.225 102 G C -0.431 174.564 174.900 0.158 0.000 1.015 102 G CA 0.155 45.292 45.100 0.062 0.000 0.716 102 G HN 0.634 nan 8.290 nan 0.000 0.508 103 Y N -3.091 117.199 120.300 -0.018 0.000 2.662 103 Y HA 0.684 5.233 4.550 -0.001 0.000 0.334 103 Y C 0.229 176.120 175.900 -0.014 0.000 1.185 103 Y CA -0.905 57.188 58.100 -0.012 0.000 1.074 103 Y CB 0.402 38.863 38.460 0.001 0.000 1.330 103 Y HN 0.801 nan 8.280 nan 0.000 0.458 104 G N 0.054 108.899 108.800 0.075 0.000 3.108 104 G HA2 0.564 4.523 3.960 -0.001 0.000 0.268 104 G HA3 0.564 4.523 3.960 -0.001 0.000 0.268 104 G C 0.268 175.210 174.900 0.071 0.000 1.361 104 G CA -0.779 44.312 45.100 -0.016 0.000 1.047 104 G HN 1.285 nan 8.290 nan 0.000 0.540 105 A N -0.527 122.285 122.820 -0.013 0.000 1.978 105 A HA -0.030 4.290 4.320 -0.001 0.000 0.220 105 A C 2.193 179.747 177.584 -0.050 0.000 1.170 105 A CA 2.314 54.334 52.037 -0.029 0.000 0.636 105 A CB -0.394 18.550 19.000 -0.093 0.000 0.810 105 A HN 0.484 nan 8.150 nan 0.000 0.448 106 K N 0.306 120.661 120.400 -0.075 0.000 2.057 106 K HA -0.116 4.204 4.320 -0.001 0.000 0.207 106 K C 1.451 178.033 176.600 -0.030 0.000 1.049 106 K CA 1.746 57.982 56.287 -0.085 0.000 0.931 106 K CB -0.213 32.227 32.500 -0.100 0.000 0.714 106 K HN 0.508 nan 8.250 nan 0.000 0.440 107 D N -0.484 119.932 120.400 0.025 0.000 2.183 107 D HA -0.107 4.532 4.640 -0.001 0.000 0.203 107 D C 1.817 178.132 176.300 0.025 0.000 0.969 107 D CA 0.871 54.898 54.000 0.044 0.000 0.842 107 D CB 0.110 40.982 40.800 0.120 0.000 0.957 107 D HN -0.002 nan 8.370 nan 0.000 0.484 108 V N 1.458 121.410 119.914 0.064 0.000 2.270 108 V HA -0.206 3.913 4.120 -0.001 0.000 0.245 108 V C 2.471 178.553 176.094 -0.020 0.000 1.043 108 V CA 1.451 63.768 62.300 0.028 0.000 1.014 108 V CB -0.359 31.513 31.823 0.082 0.000 0.645 108 V HN 0.098 nan 8.190 nan 0.000 0.447 109 R N 0.234 120.714 120.500 -0.033 0.000 2.159 109 R HA -0.156 4.184 4.340 -0.001 0.000 0.237 109 R C 1.713 177.989 176.300 -0.041 0.000 1.131 109 R CA 1.542 57.613 56.100 -0.049 0.000 0.982 109 R CB -0.356 29.897 30.300 -0.078 0.000 0.868 109 R HN 0.438 nan 8.270 nan 0.000 0.453 110 N N 0.253 118.931 118.700 -0.037 0.000 2.336 110 N HA 0.124 4.864 4.740 -0.001 0.000 0.189 110 N C -0.210 175.281 175.510 -0.033 0.000 1.113 110 N CA 0.088 53.119 53.050 -0.032 0.000 0.858 110 N CB 0.254 38.724 38.487 -0.029 0.000 0.970 110 N HN 0.067 nan 8.380 nan 0.000 0.471 111 L N 0.213 121.413 121.223 -0.039 0.000 3.717 111 L HA -0.246 4.093 4.340 -0.001 0.000 0.414 111 L C -0.090 176.751 176.870 -0.047 0.000 1.228 111 L CA 0.073 54.886 54.840 -0.045 0.000 0.918 111 L CB -2.504 39.533 42.059 -0.037 0.000 1.865 111 L HN 0.199 nan 8.230 nan 0.000 0.922 112 S N -0.575 115.094 115.700 -0.052 0.000 2.537 112 S HA 0.206 4.676 4.470 -0.001 0.000 0.286 112 S C 1.572 176.130 174.600 -0.071 0.000 1.299 112 S CA 0.061 58.231 58.200 -0.050 0.000 1.067 112 S CB 1.657 64.834 63.200 -0.038 0.000 0.864 112 S HN 0.531 nan 8.310 nan 0.000 0.494 113 S N 4.133 119.803 115.700 -0.050 0.000 2.380 113 S HA -0.284 4.186 4.470 -0.001 0.000 0.229 113 S C 1.731 176.293 174.600 -0.064 0.000 1.043 113 S CA 1.515 59.686 58.200 -0.049 0.000 1.038 113 S CB -0.708 62.471 63.200 -0.034 0.000 0.872 113 S HN 0.889 nan 8.310 nan 0.000 0.456 114 K N 1.688 122.049 120.400 -0.066 0.000 2.009 114 K HA -0.047 4.272 4.320 -0.001 0.000 0.210 114 K C 2.409 178.870 176.600 -0.230 0.000 1.049 114 K CA 1.297 57.541 56.287 -0.072 0.000 0.929 114 K CB -0.696 31.797 32.500 -0.013 0.000 0.714 114 K HN 0.463 nan 8.250 nan 0.000 0.440 115 A N 0.473 123.038 122.820 -0.424 0.000 1.902 115 A HA -0.097 4.222 4.320 -0.001 0.000 0.217 115 A C 2.234 179.547 177.584 -0.452 0.000 1.181 115 A CA 1.575 53.035 52.037 -0.961 0.000 0.623 115 A CB -0.584 17.963 19.000 -0.756 0.000 0.818 115 A HN 0.189 nan 8.150 nan 0.000 0.443 116 V N 1.097 120.892 119.914 -0.197 0.000 2.343 116 V HA -0.243 3.877 4.120 -0.001 0.000 0.247 116 V C 2.230 178.387 176.094 0.105 0.000 1.051 116 V CA 2.063 64.345 62.300 -0.029 0.000 1.036 116 V CB -0.905 30.929 31.823 0.019 0.000 0.654 116 V HN 0.560 nan 8.190 nan 0.000 0.451 117 N N -0.678 118.038 118.700 0.028 0.000 2.188 117 N HA -0.167 4.573 4.740 -0.001 0.000 0.184 117 N C 1.874 177.425 175.510 0.069 0.000 1.018 117 N CA 1.379 54.460 53.050 0.051 0.000 0.858 117 N CB -0.504 37.987 38.487 0.006 0.000 0.989 117 N HN 0.631 nan 8.380 nan 0.000 0.426 118 H N 0.996 120.027 119.070 -0.065 0.000 2.389 118 H HA 0.079 4.635 4.556 -0.001 0.000 0.299 118 H C 2.014 177.337 175.328 -0.009 0.000 1.081 118 H CA 0.844 56.867 56.048 -0.041 0.000 1.345 118 H CB 0.093 29.857 29.762 0.004 0.000 1.393 118 H HN 0.124 nan 8.280 nan 0.000 0.520 119 I N 0.193 120.729 120.570 -0.056 0.000 2.286 119 I HA -0.264 3.906 4.170 -0.001 0.000 0.248 119 I C 2.172 178.226 176.117 -0.104 0.000 1.115 119 I CA 1.234 62.483 61.300 -0.086 0.000 1.392 119 I CB -0.330 37.614 38.000 -0.095 0.000 1.065 119 I HN 0.289 nan 8.210 nan 0.000 0.418 120 H N -0.105 118.932 119.070 -0.054 0.000 2.428 120 H HA -0.112 4.443 4.556 -0.001 0.000 0.296 120 H C 2.523 177.860 175.328 0.015 0.000 1.062 120 H CA 1.676 57.727 56.048 0.006 0.000 1.350 120 H CB 0.062 29.811 29.762 -0.021 0.000 1.403 120 H HN 0.340 nan 8.280 nan 0.000 0.533 121 S N -0.299 115.417 115.700 0.026 0.000 2.387 121 S HA -0.112 4.357 4.470 -0.001 0.000 0.226 121 S C 2.215 176.748 174.600 -0.110 0.000 1.026 121 S CA 1.107 59.275 58.200 -0.054 0.000 0.972 121 S CB -0.662 62.466 63.200 -0.121 0.000 0.814 121 S HN 0.153 nan 8.310 nan 0.000 0.477 122 V N 0.787 120.583 119.914 -0.198 0.000 2.358 122 V HA -0.097 4.022 4.120 -0.001 0.000 0.246 122 V C 2.236 178.313 176.094 -0.028 0.000 1.047 122 V CA 1.668 63.869 62.300 -0.165 0.000 1.035 122 V CB -1.054 30.650 31.823 -0.198 0.000 0.658 122 V HN 0.711 nan 8.190 nan 0.000 0.452 123 W N 1.484 122.702 121.300 -0.135 0.000 2.358 123 W HA -0.215 4.445 4.660 -0.001 0.000 0.303 123 W C 2.476 178.957 176.519 -0.063 0.000 1.208 123 W CA 2.260 59.547 57.345 -0.096 0.000 1.274 123 W CB -0.075 29.314 29.460 -0.119 0.000 1.138 123 W HN 0.249 nan 8.180 nan 0.000 0.515 124 K N 0.672 121.096 120.400 0.039 0.000 2.026 124 K HA -0.272 4.048 4.320 -0.001 0.000 0.208 124 K C 1.768 178.294 176.600 -0.124 0.000 1.048 124 K CA 2.286 58.551 56.287 -0.037 0.000 0.929 124 K CB -0.689 31.833 32.500 0.036 0.000 0.713 124 K HN 0.008 nan 8.250 nan 0.000 0.439 125 D N 0.223 120.557 120.400 -0.109 0.000 2.149 125 D HA -0.163 4.476 4.640 -0.001 0.000 0.198 125 D C 1.968 178.172 176.300 -0.160 0.000 0.990 125 D CA 1.022 54.954 54.000 -0.115 0.000 0.839 125 D CB 0.067 40.807 40.800 -0.101 0.000 0.948 125 D HN 0.231 nan 8.370 nan 0.000 0.460 126 L N -0.128 120.955 121.223 -0.234 0.000 2.046 126 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 126 L C 2.458 179.137 176.870 -0.319 0.000 1.077 126 L CA 0.696 55.358 54.840 -0.296 0.000 0.747 126 L CB -0.381 41.425 42.059 -0.422 0.000 0.896 126 L HN 0.225 nan 8.230 nan 0.000 0.432 127 L N -0.716 120.274 121.223 -0.387 0.000 2.201 127 L HA -0.166 4.173 4.340 -0.001 0.000 0.212 127 L C 2.177 178.945 176.870 -0.169 0.000 1.105 127 L CA 1.159 55.821 54.840 -0.297 0.000 0.775 127 L CB -0.357 41.525 42.059 -0.295 0.000 0.913 127 L HN 0.334 nan 8.230 nan 0.000 0.440 128 E N -1.284 118.831 120.200 -0.142 0.000 2.307 128 E HA -0.022 4.327 4.350 -0.001 0.000 0.195 128 E C 0.327 176.878 176.600 -0.081 0.000 0.975 128 E CA 0.044 56.389 56.400 -0.092 0.000 0.878 128 E CB 0.452 30.109 29.700 -0.071 0.000 0.845 128 E HN 0.178 nan 8.360 nan 0.000 0.488 129 D N 0.774 121.118 120.400 -0.095 0.000 2.381 129 D HA 0.062 4.701 4.640 -0.001 0.000 0.235 129 D C -0.180 176.069 176.300 -0.085 0.000 1.068 129 D CA -0.149 53.805 54.000 -0.076 0.000 0.832 129 D CB 1.439 42.199 40.800 -0.067 0.000 1.101 129 D HN -0.018 nan 8.370 nan 0.000 0.515 130 T N 0.422 114.935 114.554 -0.067 0.000 3.266 130 T HA 0.270 4.620 4.350 -0.001 0.000 0.278 130 T C 0.843 175.516 174.700 -0.045 0.000 1.010 130 T CA -0.242 61.819 62.100 -0.065 0.000 0.909 130 T CB 0.215 69.049 68.868 -0.058 0.000 1.122 130 T HN 0.147 nan 8.240 nan 0.000 0.536 131 V N -0.082 119.809 119.914 -0.038 0.000 3.229 131 V HA 0.198 4.317 4.120 -0.001 0.000 0.239 131 V C 0.848 176.934 176.094 -0.013 0.000 1.390 131 V CA 0.190 62.477 62.300 -0.022 0.000 1.231 131 V CB 0.425 32.237 31.823 -0.018 0.000 1.025 131 V HN 0.475 nan 8.190 nan 0.000 0.461 132 T N 4.261 118.805 114.554 -0.017 0.000 2.761 132 T HA 0.208 4.557 4.350 -0.001 0.000 0.287 132 T C -2.445 172.254 174.700 -0.002 0.000 0.931 132 T CA -0.567 61.531 62.100 -0.004 0.000 1.164 132 T CB 0.678 69.542 68.868 -0.007 0.000 0.876 132 T HN 0.163 nan 8.240 nan 0.000 0.534 133 P HA 0.117 nan 4.420 nan 0.000 0.264 133 P C -0.134 177.165 177.300 -0.002 0.000 1.183 133 P CA -0.045 63.067 63.100 0.019 0.000 0.763 133 P CB 0.360 32.112 31.700 0.087 0.000 0.807 134 I N 2.200 122.753 120.570 -0.029 0.000 2.440 134 I HA 0.162 4.332 4.170 -0.001 0.000 0.294 134 I C 0.958 177.061 176.117 -0.025 0.000 0.995 134 I CA -0.447 60.843 61.300 -0.018 0.000 1.306 134 I CB 0.786 38.769 38.000 -0.029 0.000 1.407 134 I HN 0.316 nan 8.210 nan 0.000 0.501 135 D N 3.895 124.297 120.400 0.002 0.000 2.362 135 D HA 0.283 4.922 4.640 -0.001 0.000 0.242 135 D C -0.385 175.887 176.300 -0.047 0.000 1.132 135 D CA 0.228 54.215 54.000 -0.021 0.000 0.907 135 D CB 0.898 41.703 40.800 0.008 0.000 1.195 135 D HN 0.654 nan 8.370 nan 0.000 0.429 136 T N -1.311 113.185 114.554 -0.098 0.000 2.883 136 T HA 0.589 4.939 4.350 -0.001 0.000 0.301 136 T C -0.582 173.970 174.700 -0.246 0.000 1.158 136 T CA -0.946 61.059 62.100 -0.159 0.000 1.007 136 T CB 1.483 70.275 68.868 -0.127 0.000 1.186 136 T HN 0.198 nan 8.240 nan 0.000 0.499 137 T N 2.145 116.401 114.554 -0.495 0.000 2.794 137 T HA 0.606 4.955 4.350 -0.001 0.000 0.280 137 T C -0.480 173.919 174.700 -0.502 0.000 0.987 137 T CA -0.565 61.203 62.100 -0.554 0.000 0.993 137 T CB 0.777 69.142 68.868 -0.837 0.000 0.939 137 T HN 0.737 nan 8.240 nan 0.000 0.449 138 I N 4.423 124.876 120.570 -0.195 0.000 2.354 138 I HA 0.551 4.720 4.170 -0.001 0.000 0.292 138 I C -0.918 175.211 176.117 0.021 0.000 0.989 138 I CA -0.673 60.604 61.300 -0.039 0.000 1.188 138 I CB 0.547 38.584 38.000 0.061 0.000 1.342 138 I HN 0.425 nan 8.210 nan 0.000 0.457 139 M N 6.490 126.152 119.600 0.104 0.000 2.550 139 M HA 0.511 4.991 4.480 -0.001 0.000 0.292 139 M C -0.748 175.615 176.300 0.105 0.000 1.221 139 M CA -0.650 54.727 55.300 0.128 0.000 0.873 139 M CB 1.885 34.625 32.600 0.233 0.000 1.727 139 M HN 0.598 nan 8.290 nan 0.000 0.459 140 A N 2.436 125.299 122.820 0.071 0.000 2.252 140 A HA 0.491 4.811 4.320 -0.001 0.000 0.309 140 A C 0.011 177.629 177.584 0.057 0.000 1.285 140 A CA -0.576 51.493 52.037 0.054 0.000 0.900 140 A CB 0.283 19.301 19.000 0.030 0.000 1.157 140 A HN 0.730 nan 8.150 nan 0.000 0.536 141 K N 1.925 122.361 120.400 0.059 0.000 2.355 141 K HA 0.052 4.372 4.320 -0.001 0.000 0.270 141 K C -0.574 176.027 176.600 0.001 0.000 1.003 141 K CA 0.177 56.483 56.287 0.033 0.000 0.957 141 K CB 0.495 33.018 32.500 0.038 0.000 0.939 141 K HN 0.745 nan 8.250 nan 0.000 0.482 142 N N 2.510 121.180 118.700 -0.049 0.000 2.678 142 N HA 0.084 4.824 4.740 -0.001 0.000 0.231 142 N C -1.150 174.215 175.510 -0.241 0.000 1.038 142 N CA -0.216 52.766 53.050 -0.115 0.000 0.932 142 N CB 0.852 39.278 38.487 -0.101 0.000 1.176 142 N HN 0.358 nan 8.380 nan 0.000 0.511 143 E N 0.642 120.684 120.200 -0.264 0.000 2.221 143 E HA 0.444 4.793 4.350 -0.001 0.000 0.268 143 E C -0.678 175.469 176.600 -0.754 0.000 0.933 143 E CA -0.975 55.136 56.400 -0.483 0.000 0.809 143 E CB 2.362 31.822 29.700 -0.401 0.000 1.190 143 E HN 0.065 nan 8.360 nan 0.000 0.406 144 V N 3.313 122.654 119.914 -0.956 0.000 2.427 144 V HA 0.428 4.547 4.120 -0.001 0.000 0.286 144 V C -0.759 174.710 176.094 -1.042 0.000 1.034 144 V CA -0.181 61.580 62.300 -0.898 0.000 0.893 144 V CB 0.182 31.598 31.823 -0.680 0.000 0.982 144 V HN 0.513 nan 8.190 nan 0.000 0.452 145 F N 2.256 121.893 119.950 -0.522 0.000 2.790 145 F HA 0.654 5.180 4.527 -0.001 0.000 0.337 145 F C 0.023 175.758 175.800 -0.108 0.000 1.163 145 F CA -0.808 56.999 58.000 -0.321 0.000 0.997 145 F CB 1.337 40.141 39.000 -0.327 0.000 1.437 145 F HN 0.499 nan 8.300 nan 0.000 0.512 146 C N 2.463 121.965 119.300 0.336 0.000 2.417 146 C HA 0.778 5.238 4.460 -0.001 0.000 0.324 146 C C -0.272 174.958 174.990 0.400 0.000 1.240 146 C CA -0.824 58.390 59.018 0.326 0.000 1.632 146 C CB 0.039 27.893 27.740 0.190 0.000 2.241 146 C HN 0.703 nan 8.230 nan 0.000 0.499 147 V N 5.317 125.440 119.914 0.349 0.000 2.644 147 V HA 0.209 4.329 4.120 -0.001 0.000 0.305 147 V C 0.255 176.410 176.094 0.102 0.000 1.053 147 V CA 0.727 63.122 62.300 0.158 0.000 1.186 147 V CB -0.654 31.194 31.823 0.043 0.000 0.895 147 V HN 1.340 nan 8.190 nan 0.000 0.490 155 K N 2.814 123.271 120.400 0.094 0.000 2.144 155 K HA 0.478 4.798 4.320 -0.001 0.000 0.270 155 K C -2.203 174.443 176.600 0.078 0.000 1.005 155 K CA -1.551 54.744 56.287 0.014 0.000 0.932 155 K CB 1.106 33.516 32.500 -0.151 0.000 1.021 155 K HN 0.142 nan 8.250 nan 0.000 0.462 156 P HA 0.015 nan 4.420 nan 0.000 0.271 156 P C -0.571 176.771 177.300 0.069 0.000 1.218 156 P CA -0.349 62.781 63.100 0.050 0.000 0.780 156 P CB 0.876 32.585 31.700 0.015 0.000 0.901 157 A N 4.088 126.957 122.820 0.081 0.000 2.540 157 A HA 0.077 4.397 4.320 -0.001 0.000 0.239 157 A C 0.734 178.361 177.584 0.072 0.000 1.061 157 A CA -0.011 52.080 52.037 0.090 0.000 0.758 157 A CB -0.275 18.766 19.000 0.068 0.000 0.991 157 A HN 0.491 nan 8.150 nan 0.000 0.502 158 R N 0.675 121.233 120.500 0.096 0.000 2.577 158 R HA 0.483 4.823 4.340 -0.001 0.000 0.269 158 R C -0.694 175.656 176.300 0.084 0.000 1.084 158 R CA -0.392 55.764 56.100 0.094 0.000 1.163 158 R CB 0.484 30.857 30.300 0.121 0.000 1.100 158 R HN 0.671 nan 8.270 nan 0.000 0.547 159 L N 2.607 123.885 121.223 0.092 0.000 2.307 159 L HA 0.474 4.814 4.340 -0.001 0.000 0.284 159 L C -0.398 176.559 176.870 0.145 0.000 1.023 159 L CA -0.936 53.963 54.840 0.098 0.000 0.810 159 L CB 1.430 43.531 42.059 0.070 0.000 1.231 159 L HN 0.453 nan 8.230 nan 0.000 0.423 160 I N 3.705 124.377 120.570 0.170 0.000 2.362 160 I HA 0.440 4.610 4.170 -0.001 0.000 0.289 160 I C -0.730 175.560 176.117 0.289 0.000 0.994 160 I CA -0.279 61.161 61.300 0.233 0.000 1.158 160 I CB 1.700 39.839 38.000 0.232 0.000 1.315 160 I HN 0.215 nan 8.210 nan 0.000 0.451 161 V N 9.078 129.155 119.914 0.272 0.000 2.409 161 V HA 0.576 4.696 4.120 -0.001 0.000 0.291 161 V C -0.623 175.623 176.094 0.253 0.000 1.020 161 V CA -0.478 61.925 62.300 0.171 0.000 0.848 161 V CB 0.855 32.762 31.823 0.140 0.000 0.990 161 V HN 0.603 nan 8.190 nan 0.000 0.430 162 F N 4.891 124.886 119.950 0.076 0.000 2.613 162 F HA 0.957 5.483 4.527 -0.001 0.000 0.310 162 F C -3.041 172.798 175.800 0.065 0.000 1.085 162 F CA -2.857 55.189 58.000 0.075 0.000 0.945 162 F CB 1.780 40.819 39.000 0.065 0.000 1.298 162 F HN 0.285 nan 8.300 nan 0.000 0.455 163 P HA 0.197 nan 4.420 nan 0.000 0.280 163 P C -1.166 176.268 177.300 0.223 0.000 1.272 163 P CA -0.212 62.965 63.100 0.129 0.000 0.819 163 P CB 1.516 33.294 31.700 0.131 0.000 1.122 164 D N -0.421 120.087 120.400 0.181 0.000 2.423 164 D HA -0.065 4.575 4.640 -0.001 0.000 0.238 164 D C 1.413 177.850 176.300 0.230 0.000 1.142 164 D CA -0.276 53.851 54.000 0.213 0.000 0.884 164 D CB 0.314 41.278 40.800 0.274 0.000 1.199 164 D HN 0.120 nan 8.370 nan 0.000 0.438 165 L N 3.761 125.093 121.223 0.181 0.000 2.051 165 L HA -0.076 4.264 4.340 -0.001 0.000 0.214 165 L C 2.051 179.073 176.870 0.252 0.000 1.076 165 L CA 2.637 57.574 54.840 0.162 0.000 0.758 165 L CB -1.046 41.049 42.059 0.060 0.000 0.890 165 L HN 0.676 nan 8.230 nan 0.000 0.433 166 G N -1.438 107.587 108.800 0.374 0.000 2.442 166 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.219 166 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.219 166 G C 1.502 176.549 174.900 0.245 0.000 1.141 166 G CA 1.027 46.395 45.100 0.447 0.000 0.763 166 G HN 0.372 nan 8.290 nan 0.000 0.554 167 V N 0.538 120.584 119.914 0.220 0.000 2.453 167 V HA -0.089 4.030 4.120 -0.001 0.000 0.247 167 V C 2.882 179.070 176.094 0.157 0.000 1.048 167 V CA 1.519 63.913 62.300 0.157 0.000 1.049 167 V CB -0.390 31.513 31.823 0.134 0.000 0.672 167 V HN 0.312 nan 8.190 nan 0.000 0.457 168 R N -0.181 120.418 120.500 0.165 0.000 2.105 168 R HA -0.139 4.200 4.340 -0.001 0.000 0.239 168 R C 2.201 178.569 176.300 0.113 0.000 1.135 168 R CA 1.496 57.682 56.100 0.144 0.000 0.967 168 R CB -0.640 29.737 30.300 0.127 0.000 0.861 168 R HN 0.417 nan 8.270 nan 0.000 0.442 169 V N 0.214 120.190 119.914 0.104 0.000 2.427 169 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 169 V C 2.436 178.557 176.094 0.045 0.000 1.051 169 V CA 1.413 63.742 62.300 0.048 0.000 1.048 169 V CB -0.374 31.475 31.823 0.043 0.000 0.666 169 V HN 0.441 nan 8.190 nan 0.000 0.456 170 C N -0.284 119.091 119.300 0.124 0.000 2.435 170 C HA -0.101 4.359 4.460 -0.001 0.000 0.279 170 C C 2.662 177.827 174.990 0.293 0.000 1.321 170 C CA 0.686 59.858 59.018 0.256 0.000 1.752 170 C CB -0.855 27.100 27.740 0.358 0.000 1.959 170 C HN 0.608 nan 8.230 nan 0.000 0.500 171 E N 0.810 121.136 120.200 0.211 0.000 2.077 171 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 171 E C 2.175 178.892 176.600 0.195 0.000 0.989 171 E CA 1.111 57.645 56.400 0.224 0.000 0.800 171 E CB -0.101 29.739 29.700 0.233 0.000 0.746 171 E HN 0.622 nan 8.360 nan 0.000 0.452 172 K N 0.368 120.848 120.400 0.134 0.000 2.032 172 K HA -0.142 4.178 4.320 -0.001 0.000 0.209 172 K C 2.235 178.885 176.600 0.082 0.000 1.048 172 K CA 1.487 57.836 56.287 0.103 0.000 0.927 172 K CB -0.172 32.314 32.500 -0.024 0.000 0.712 172 K HN 0.130 nan 8.250 nan 0.000 0.441 173 M N 0.235 119.831 119.600 -0.006 0.000 2.106 173 M HA -0.200 4.279 4.480 -0.001 0.000 0.259 173 M C 2.379 178.689 176.300 0.017 0.000 1.068 173 M CA 1.879 57.106 55.300 -0.120 0.000 1.100 173 M CB -0.351 31.969 32.600 -0.468 0.000 1.351 173 M HN 0.242 nan 8.290 nan 0.000 0.404 174 A N -0.932 122.012 122.820 0.206 0.000 2.030 174 A HA 0.149 4.468 4.320 -0.001 0.000 0.215 174 A C 1.803 179.483 177.584 0.159 0.000 1.164 174 A CA 0.780 52.992 52.037 0.290 0.000 0.697 174 A CB -0.041 19.223 19.000 0.439 0.000 0.827 174 A HN 0.483 nan 8.150 nan 0.000 0.457 175 L N -3.178 118.128 121.223 0.137 0.000 2.993 175 L HA 0.185 4.524 4.340 -0.001 0.000 0.264 175 L C 1.892 178.797 176.870 0.058 0.000 1.154 175 L CA 0.048 54.915 54.840 0.046 0.000 0.972 175 L CB -0.038 42.028 42.059 0.011 0.000 1.373 175 L HN 0.407 nan 8.230 nan 0.000 0.564 176 Y N 1.712 122.021 120.300 0.015 0.000 2.114 176 Y HA -0.374 4.176 4.550 -0.001 0.000 0.282 176 Y C 2.219 178.144 175.900 0.042 0.000 1.165 176 Y CA 2.379 60.500 58.100 0.034 0.000 1.148 176 Y CB -0.011 38.456 38.460 0.012 0.000 0.972 176 Y HN 0.232 nan 8.280 nan 0.000 0.504 177 D N -0.937 119.483 120.400 0.034 0.000 2.144 177 D HA -0.158 4.481 4.640 -0.001 0.000 0.199 177 D C 2.218 178.454 176.300 -0.107 0.000 0.984 177 D CA 1.313 55.283 54.000 -0.050 0.000 0.834 177 D CB -0.195 40.628 40.800 0.037 0.000 0.955 177 D HN 0.261 nan 8.370 nan 0.000 0.465 178 V N 0.323 120.180 119.914 -0.095 0.000 2.261 178 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 178 V C 2.620 178.608 176.094 -0.178 0.000 1.047 178 V CA 1.757 63.980 62.300 -0.127 0.000 1.015 178 V CB -0.511 31.207 31.823 -0.174 0.000 0.642 178 V HN 0.347 nan 8.190 nan 0.000 0.446 179 V N -2.602 117.188 119.914 -0.208 0.000 3.141 179 V HA -0.052 4.067 4.120 -0.001 0.000 0.265 179 V C 1.910 177.872 176.094 -0.219 0.000 1.126 179 V CA 1.984 64.160 62.300 -0.206 0.000 1.141 179 V CB -0.226 31.502 31.823 -0.159 0.000 0.743 179 V HN 0.453 nan 8.190 nan 0.000 0.492 180 S N 0.785 116.347 115.700 -0.230 0.000 2.486 180 S HA 0.010 4.479 4.470 -0.001 0.000 0.220 180 S C 1.862 176.384 174.600 -0.129 0.000 1.011 180 S CA 1.179 59.269 58.200 -0.183 0.000 0.921 180 S CB 0.229 63.269 63.200 -0.267 0.000 0.785 180 S HN 0.940 nan 8.310 nan 0.000 0.517 181 T N -0.829 113.639 114.554 -0.142 0.000 3.019 181 T HA 0.284 4.634 4.350 -0.001 0.000 0.247 181 T C 1.670 176.277 174.700 -0.154 0.000 0.992 181 T CA -0.168 61.861 62.100 -0.117 0.000 1.036 181 T CB -0.606 68.216 68.868 -0.077 0.000 1.063 181 T HN 0.202 nan 8.240 nan 0.000 0.476 182 L N 1.967 123.096 121.223 -0.157 0.000 2.042 182 L HA 0.079 4.418 4.340 -0.001 0.000 0.210 182 L C -0.856 175.857 176.870 -0.263 0.000 1.076 182 L CA 1.560 56.308 54.840 -0.154 0.000 0.749 182 L CB -0.874 41.138 42.059 -0.078 0.000 0.893 182 L HN 0.177 nan 8.230 nan 0.000 0.432 183 P HA -0.249 nan 4.420 nan 0.000 0.215 183 P C 1.336 178.190 177.300 -0.742 0.000 1.157 183 P CA 1.403 64.057 63.100 -0.745 0.000 0.874 183 P CB -0.164 30.736 31.700 -1.332 0.000 0.790 184 Q N -0.128 119.317 119.800 -0.592 0.000 2.230 184 Q HA -0.078 4.261 4.340 -0.001 0.000 0.202 184 Q C 1.870 177.748 176.000 -0.203 0.000 0.963 184 Q CA 1.222 56.858 55.803 -0.279 0.000 0.866 184 Q CB -0.500 28.177 28.738 -0.103 0.000 0.931 184 Q HN 0.096 nan 8.270 nan 0.000 0.452 185 V N -0.117 119.679 119.914 -0.197 0.000 2.488 185 V HA -0.164 3.956 4.120 -0.001 0.000 0.246 185 V C 2.410 178.416 176.094 -0.148 0.000 1.046 185 V CA 1.143 63.362 62.300 -0.136 0.000 1.053 185 V CB -0.199 31.561 31.823 -0.106 0.000 0.679 185 V HN 0.109 nan 8.190 nan 0.000 0.458 186 V N -0.541 119.250 119.914 -0.205 0.000 2.379 186 V HA -0.165 3.954 4.120 -0.001 0.000 0.245 186 V C 2.065 177.981 176.094 -0.298 0.000 1.044 186 V CA 2.054 64.225 62.300 -0.216 0.000 1.036 186 V CB -0.363 31.316 31.823 -0.240 0.000 0.664 186 V HN 0.466 nan 8.190 nan 0.000 0.453 187 M N -1.260 118.094 119.600 -0.410 0.000 2.414 187 M HA 0.355 4.835 4.480 -0.001 0.000 0.251 187 M C 1.478 177.655 176.300 -0.206 0.000 1.116 187 M CA 0.788 55.779 55.300 -0.515 0.000 1.056 187 M CB 0.336 32.507 32.600 -0.714 0.000 1.388 187 M HN 0.456 nan 8.290 nan 0.000 0.487 188 G N 1.681 110.388 108.800 -0.156 0.000 2.611 188 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.301 188 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.301 188 G C 0.797 175.632 174.900 -0.108 0.000 1.233 188 G CA 0.813 45.860 45.100 -0.090 0.000 0.993 188 G HN 0.542 nan 8.290 nan 0.000 0.553 189 S N -0.534 115.118 115.700 -0.080 0.000 2.537 189 S HA 0.122 4.592 4.470 -0.001 0.000 0.240 189 S C 2.071 176.455 174.600 -0.360 0.000 0.981 189 S CA 1.918 59.995 58.200 -0.205 0.000 0.948 189 S CB -0.025 63.137 63.200 -0.063 0.000 0.759 189 S HN 1.006 nan 8.310 nan 0.000 0.531 190 S N 0.079 115.722 115.700 -0.096 0.000 2.528 190 S HA 0.196 4.666 4.470 -0.001 0.000 0.219 190 S C 0.068 174.654 174.600 -0.024 0.000 0.985 190 S CA -0.351 57.866 58.200 0.028 0.000 0.914 190 S CB -0.312 63.036 63.200 0.247 0.000 0.776 190 S HN 0.702 nan 8.310 nan 0.000 0.526 191 Y N 2.811 122.945 120.300 -0.276 0.000 2.486 191 Y HA 0.483 5.032 4.550 -0.001 0.000 0.348 191 Y C 1.241 176.899 175.900 -0.403 0.000 1.000 191 Y CA -1.393 56.520 58.100 -0.313 0.000 1.253 191 Y CB 0.171 38.448 38.460 -0.305 0.000 1.140 191 Y HN 0.064 nan 8.280 nan 0.000 0.526 192 G N 4.595 112.958 108.800 -0.728 0.000 2.408 192 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.217 192 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.217 192 G C 1.070 175.443 174.900 -0.878 0.000 1.150 192 G CA 0.204 44.890 45.100 -0.689 0.000 0.776 192 G HN 0.644 nan 8.290 nan 0.000 0.542 193 F N 1.619 120.856 119.950 -1.189 0.000 2.664 193 F HA 0.003 4.529 4.527 -0.001 0.000 0.297 193 F C 2.780 178.317 175.800 -0.438 0.000 1.164 193 F CA 0.947 58.358 58.000 -0.981 0.000 1.472 193 F CB -0.199 38.229 39.000 -0.953 0.000 1.108 193 F HN 0.415 nan 8.300 nan 0.000 0.596 194 Q N -1.207 118.326 119.800 -0.444 0.000 2.392 194 Q HA -0.008 4.331 4.340 -0.001 0.000 0.203 194 Q C -0.547 175.348 176.000 -0.175 0.000 0.917 194 Q CA 0.483 56.148 55.803 -0.230 0.000 0.939 194 Q CB -0.165 28.345 28.738 -0.381 0.000 1.063 194 Q HN 0.278 nan 8.270 nan 0.000 0.516 195 Y N 1.677 121.965 120.300 -0.021 0.000 2.387 195 Y HA 0.370 4.920 4.550 -0.001 0.000 0.330 195 Y C 0.569 176.338 175.900 -0.218 0.000 1.133 195 Y CA -1.387 56.665 58.100 -0.081 0.000 1.152 195 Y CB 1.548 39.928 38.460 -0.132 0.000 1.215 195 Y HN 0.091 nan 8.280 nan 0.000 0.466 196 S N 1.551 117.096 115.700 -0.258 0.000 2.669 196 S HA 0.348 4.818 4.470 -0.001 0.000 0.270 196 S C -2.117 172.196 174.600 -0.478 0.000 1.225 196 S CA -1.229 56.387 58.200 -0.974 0.000 0.991 196 S CB 1.586 64.411 63.200 -0.625 0.000 0.987 196 S HN 0.393 nan 8.310 nan 0.000 0.552 197 P HA -0.061 nan 4.420 nan 0.000 0.216 197 P C 1.701 178.956 177.300 -0.074 0.000 1.157 197 P CA 1.915 64.913 63.100 -0.170 0.000 0.880 197 P CB -0.491 31.167 31.700 -0.069 0.000 0.791 198 G N -0.596 108.165 108.800 -0.065 0.000 2.408 198 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 198 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 198 G C 1.480 176.344 174.900 -0.060 0.000 1.150 198 G CA 0.520 45.613 45.100 -0.012 0.000 0.776 198 G HN 0.329 nan 8.290 nan 0.000 0.542 199 Q N -0.488 119.255 119.800 -0.095 0.000 2.167 199 Q HA 0.017 4.356 4.340 -0.001 0.000 0.202 199 Q C 2.565 178.392 176.000 -0.290 0.000 0.970 199 Q CA 0.701 56.433 55.803 -0.118 0.000 0.855 199 Q CB -0.108 28.639 28.738 0.016 0.000 0.911 199 Q HN 0.439 nan 8.270 nan 0.000 0.438 200 R N 0.510 120.888 120.500 -0.203 0.000 2.075 200 R HA -0.105 4.234 4.340 -0.001 0.000 0.232 200 R C 2.053 178.262 176.300 -0.153 0.000 1.126 200 R CA 1.019 56.993 56.100 -0.209 0.000 0.963 200 R CB -0.040 30.228 30.300 -0.055 0.000 0.858 200 R HN 0.098 nan 8.270 nan 0.000 0.435 201 V N 1.302 121.149 119.914 -0.111 0.000 2.407 201 V HA -0.212 3.908 4.120 -0.001 0.000 0.248 201 V C 2.316 178.321 176.094 -0.148 0.000 1.055 201 V CA 2.062 64.297 62.300 -0.109 0.000 1.049 201 V CB -0.459 31.337 31.823 -0.045 0.000 0.662 201 V HN 0.461 nan 8.190 nan 0.000 0.455 202 E N -0.345 119.779 120.200 -0.127 0.000 2.031 202 E HA -0.263 4.087 4.350 -0.001 0.000 0.193 202 E C 2.133 178.648 176.600 -0.142 0.000 0.994 202 E CA 1.656 57.985 56.400 -0.118 0.000 0.800 202 E CB -0.210 29.443 29.700 -0.078 0.000 0.752 202 E HN 0.543 nan 8.360 nan 0.000 0.447 203 F N 1.275 121.021 119.950 -0.340 0.000 2.161 203 F HA -0.159 4.367 4.527 -0.001 0.000 0.300 203 F C 1.857 177.531 175.800 -0.209 0.000 1.089 203 F CA 1.164 58.963 58.000 -0.334 0.000 1.282 203 F CB -0.154 38.456 39.000 -0.648 0.000 1.010 203 F HN 0.015 nan 8.300 nan 0.000 0.485 204 L N -0.892 120.139 121.223 -0.321 0.000 2.005 204 L HA -0.202 4.138 4.340 -0.001 0.000 0.207 204 L C 2.410 179.105 176.870 -0.290 0.000 1.072 204 L CA 1.123 55.769 54.840 -0.323 0.000 0.744 204 L CB -0.757 41.183 42.059 -0.199 0.000 0.895 204 L HN -0.023 nan 8.230 nan 0.000 0.433 205 V N 0.111 119.847 119.914 -0.296 0.000 2.295 205 V HA -0.271 3.848 4.120 -0.001 0.000 0.246 205 V C 2.204 178.186 176.094 -0.188 0.000 1.049 205 V CA 1.835 63.950 62.300 -0.308 0.000 1.024 205 V CB -0.722 30.812 31.823 -0.482 0.000 0.648 205 V HN 0.488 nan 8.190 nan 0.000 0.447 206 N N 0.140 118.718 118.700 -0.202 0.000 2.166 206 N HA -0.140 4.600 4.740 -0.001 0.000 0.186 206 N C 1.898 177.306 175.510 -0.170 0.000 1.019 206 N CA 1.948 54.908 53.050 -0.150 0.000 0.856 206 N CB -0.645 37.771 38.487 -0.118 0.000 0.993 206 N HN 0.474 nan 8.380 nan 0.000 0.426 207 T N 0.468 114.836 114.554 -0.309 0.000 2.746 207 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 207 T C 1.474 176.088 174.700 -0.142 0.000 1.039 207 T CA 0.629 62.540 62.100 -0.314 0.000 1.142 207 T CB -0.237 68.287 68.868 -0.573 0.000 0.866 207 T HN 0.435 nan 8.240 nan 0.000 0.444 208 W N 2.338 123.478 121.300 -0.268 0.000 2.374 208 W HA -0.033 4.627 4.660 -0.001 0.000 0.288 208 W C 1.324 177.759 176.519 -0.140 0.000 1.218 208 W CA 0.992 58.223 57.345 -0.190 0.000 1.245 208 W CB -0.120 29.220 29.460 -0.199 0.000 1.126 208 W HN 0.267 nan 8.180 nan 0.000 0.545 209 K N -0.148 120.281 120.400 0.048 0.000 2.444 209 K HA 0.016 4.335 4.320 -0.001 0.000 0.193 209 K C 1.938 178.502 176.600 -0.061 0.000 1.024 209 K CA 0.494 56.782 56.287 0.003 0.000 1.077 209 K CB 0.158 32.665 32.500 0.012 0.000 0.833 209 K HN -0.148 nan 8.250 nan 0.000 0.517 210 S N 0.631 116.273 115.700 -0.097 0.000 2.470 210 S HA 0.038 4.508 4.470 -0.001 0.000 0.225 210 S C 0.396 174.930 174.600 -0.110 0.000 1.006 210 S CA 0.693 58.838 58.200 -0.092 0.000 0.934 210 S CB 0.231 63.373 63.200 -0.097 0.000 0.778 210 S HN 0.146 nan 8.310 nan 0.000 0.517 211 K N 1.884 122.182 120.400 -0.170 0.000 2.143 211 K HA 0.328 4.647 4.320 -0.001 0.000 0.272 211 K C 0.468 176.972 176.600 -0.160 0.000 1.001 211 K CA -0.302 55.875 56.287 -0.184 0.000 0.915 211 K CB 0.883 33.214 32.500 -0.282 0.000 1.047 211 K HN 0.034 nan 8.250 nan 0.000 0.458 212 K N 0.962 121.292 120.400 -0.117 0.000 2.057 212 K HA -0.047 4.273 4.320 -0.001 0.000 0.206 212 K C 0.151 176.689 176.600 -0.103 0.000 1.050 212 K CA 1.140 57.375 56.287 -0.087 0.000 0.935 212 K CB 0.135 32.597 32.500 -0.063 0.000 0.715 212 K HN 0.436 nan 8.250 nan 0.000 0.439 213 N N 1.316 119.940 118.700 -0.127 0.000 2.762 213 N HA 0.178 4.918 4.740 -0.001 0.000 0.252 213 N C -2.866 172.519 175.510 -0.209 0.000 1.269 213 N CA -1.255 51.719 53.050 -0.127 0.000 0.799 213 N CB 1.347 39.787 38.487 -0.078 0.000 1.173 213 N HN 0.031 nan 8.380 nan 0.000 0.516 214 P HA 0.007 nan 4.420 nan 0.000 0.264 214 P C -0.263 176.650 177.300 -0.645 0.000 1.183 214 P CA 0.043 62.645 63.100 -0.829 0.000 0.763 214 P CB 0.963 31.621 31.700 -1.737 0.000 0.807 215 M N 2.950 122.206 119.600 -0.573 0.000 2.271 215 M HA 0.563 5.042 4.480 -0.001 0.000 0.285 215 M C -1.132 175.044 176.300 -0.207 0.000 1.059 215 M CA -0.219 54.907 55.300 -0.289 0.000 0.940 215 M CB 2.263 34.828 32.600 -0.059 0.000 1.636 215 M HN 0.564 nan 8.290 nan 0.000 0.460 216 G N 4.073 112.871 108.800 -0.002 0.000 2.642 216 G HA2 0.876 4.836 3.960 -0.001 0.000 0.293 216 G HA3 0.876 4.836 3.960 -0.001 0.000 0.293 216 G C -1.886 173.112 174.900 0.164 0.000 1.341 216 G CA -0.598 44.576 45.100 0.122 0.000 0.916 216 G HN 0.788 nan 8.290 nan 0.000 0.474 217 F N -0.704 119.220 119.950 -0.043 0.000 2.693 217 F HA 0.805 5.332 4.527 -0.000 0.000 0.309 217 F C -0.330 175.461 175.800 -0.015 0.000 1.129 217 F CA -1.421 56.548 58.000 -0.051 0.000 0.948 217 F CB 1.326 40.274 39.000 -0.087 0.000 1.315 217 F HN 0.680 nan 8.300 nan 0.000 0.447 218 S N 0.729 116.491 115.700 0.103 0.000 2.593 218 S HA 0.697 5.166 4.470 -0.001 0.000 0.297 218 S C -1.731 173.031 174.600 0.269 0.000 1.112 218 S CA -0.618 57.615 58.200 0.055 0.000 1.043 218 S CB 1.825 65.047 63.200 0.036 0.000 1.054 218 S HN 0.904 nan 8.310 nan 0.000 0.516 219 Y N 1.381 121.762 120.300 0.135 0.000 2.326 219 Y HA 0.457 5.006 4.550 -0.001 0.000 0.331 219 Y C -1.102 174.909 175.900 0.185 0.000 0.962 219 Y CA -0.733 57.514 58.100 0.247 0.000 1.167 219 Y CB 1.400 40.093 38.460 0.390 0.000 1.148 219 Y HN 0.908 nan 8.280 nan 0.000 0.463 220 D N 4.311 124.573 120.400 -0.229 0.000 2.392 220 D HA 0.264 4.904 4.640 -0.001 0.000 0.228 220 D C -0.764 175.430 176.300 -0.175 0.000 1.074 220 D CA -0.114 53.825 54.000 -0.101 0.000 0.838 220 D CB 1.111 41.871 40.800 -0.067 0.000 1.067 220 D HN 0.436 nan 8.370 nan 0.000 0.511 221 T N 3.475 118.096 114.554 0.112 0.000 2.897 221 T HA 0.165 4.514 4.350 -0.001 0.000 0.294 221 T C 0.369 175.165 174.700 0.159 0.000 1.004 221 T CA -0.585 61.643 62.100 0.213 0.000 1.106 221 T CB 0.891 70.064 68.868 0.509 0.000 0.949 221 T HN 0.281 nan 8.240 nan 0.000 0.520 222 R N 2.198 122.759 120.500 0.103 0.000 2.351 222 R HA 0.123 4.462 4.340 -0.001 0.000 0.321 222 R C -0.116 176.288 176.300 0.173 0.000 1.182 222 R CA -0.037 56.114 56.100 0.085 0.000 1.011 222 R CB -1.179 29.121 30.300 0.000 0.000 1.048 222 R HN 0.944 nan 8.270 nan 0.000 0.490 223 C N 6.056 125.485 119.300 0.215 0.000 3.348 223 C HA -0.192 4.267 4.460 -0.001 0.000 0.289 223 C C 1.252 176.441 174.990 0.333 0.000 1.167 223 C CA -0.026 59.161 59.018 0.282 0.000 2.406 223 C CB -2.375 25.562 27.740 0.328 0.000 1.487 223 C HN 1.016 nan 8.230 nan 0.000 0.520 224 F N 2.146 122.214 119.950 0.195 0.000 2.087 224 F HA -0.122 4.405 4.527 -0.001 0.000 0.299 224 F C 1.820 177.735 175.800 0.192 0.000 1.100 224 F CA 2.586 60.703 58.000 0.195 0.000 1.226 224 F CB -0.092 39.012 39.000 0.173 0.000 0.983 224 F HN 0.628 nan 8.300 nan 0.000 0.479 225 D N -0.377 120.275 120.400 0.420 0.000 2.158 225 D HA -0.180 4.459 4.640 -0.001 0.000 0.197 225 D C 2.419 178.807 176.300 0.146 0.000 0.995 225 D CA 1.751 55.926 54.000 0.291 0.000 0.846 225 D CB -0.536 40.432 40.800 0.281 0.000 0.941 225 D HN 0.262 nan 8.370 nan 0.000 0.456 226 S N -0.673 115.133 115.700 0.177 0.000 2.453 226 S HA -0.087 4.382 4.470 -0.001 0.000 0.231 226 S C 2.013 176.647 174.600 0.056 0.000 1.005 226 S CA 1.289 59.526 58.200 0.061 0.000 0.949 226 S CB -0.131 63.122 63.200 0.088 0.000 0.774 226 S HN 0.530 nan 8.310 nan 0.000 0.510 227 T N -0.541 114.087 114.554 0.124 0.000 3.067 227 T HA 0.140 4.489 4.350 -0.001 0.000 0.261 227 T C 0.646 175.299 174.700 -0.079 0.000 1.110 227 T CA -0.004 62.144 62.100 0.080 0.000 1.113 227 T CB -0.428 68.421 68.868 -0.031 0.000 0.917 227 T HN 0.038 nan 8.240 nan 0.000 0.499 228 V N 4.199 124.030 119.914 -0.138 0.000 2.450 228 V HA 0.280 4.400 4.120 -0.001 0.000 0.281 228 V C 1.150 177.216 176.094 -0.047 0.000 1.019 228 V CA -0.049 62.190 62.300 -0.101 0.000 1.062 228 V CB -0.231 31.580 31.823 -0.021 0.000 0.979 228 V HN 0.733 nan 8.190 nan 0.000 0.477 229 T N 0.809 115.344 114.554 -0.033 0.000 2.912 229 T HA 0.324 4.674 4.350 -0.001 0.000 0.280 229 T C 1.038 175.736 174.700 -0.002 0.000 0.989 229 T CA -0.334 61.754 62.100 -0.022 0.000 0.995 229 T CB 1.556 70.404 68.868 -0.033 0.000 1.077 229 T HN 0.678 nan 8.240 nan 0.000 0.531 230 E N 0.505 120.710 120.200 0.008 0.000 2.118 230 E HA -0.285 4.065 4.350 -0.001 0.000 0.195 230 E C 1.921 178.534 176.600 0.021 0.000 0.992 230 E CA 1.719 58.133 56.400 0.024 0.000 0.804 230 E CB -0.239 29.482 29.700 0.035 0.000 0.741 230 E HN 0.787 nan 8.360 nan 0.000 0.458 231 N N 0.501 119.205 118.700 0.006 0.000 2.104 231 N HA -0.197 4.543 4.740 -0.001 0.000 0.190 231 N C 1.442 176.967 175.510 0.026 0.000 1.024 231 N CA 2.038 55.092 53.050 0.006 0.000 0.853 231 N CB -0.074 38.399 38.487 -0.024 0.000 1.008 231 N HN 0.134 nan 8.380 nan 0.000 0.424 232 D N 0.198 120.613 120.400 0.026 0.000 2.117 232 D HA -0.119 4.520 4.640 -0.001 0.000 0.197 232 D C 1.976 178.292 176.300 0.027 0.000 0.987 232 D CA 1.001 55.027 54.000 0.043 0.000 0.829 232 D CB -0.263 40.560 40.800 0.038 0.000 0.961 232 D HN 0.465 nan 8.370 nan 0.000 0.460 233 I N 0.610 121.200 120.570 0.034 0.000 2.315 233 I HA -0.193 3.976 4.170 -0.001 0.000 0.248 233 I C 2.513 178.646 176.117 0.027 0.000 1.117 233 I CA 0.863 62.190 61.300 0.045 0.000 1.404 233 I CB -0.059 37.992 38.000 0.086 0.000 1.071 233 I HN -0.104 nan 8.210 nan 0.000 0.419 234 R N 0.050 120.564 120.500 0.024 0.000 2.073 234 R HA -0.077 4.263 4.340 -0.001 0.000 0.229 234 R C 2.339 178.622 176.300 -0.029 0.000 1.120 234 R CA 1.018 57.125 56.100 0.012 0.000 0.967 234 R CB -0.373 29.938 30.300 0.019 0.000 0.862 234 R HN 0.195 nan 8.270 nan 0.000 0.436 235 V N 1.386 121.285 119.914 -0.025 0.000 2.407 235 V HA -0.247 3.873 4.120 -0.001 0.000 0.248 235 V C 1.958 177.957 176.094 -0.157 0.000 1.055 235 V CA 1.805 64.072 62.300 -0.054 0.000 1.049 235 V CB -0.393 31.429 31.823 -0.002 0.000 0.662 235 V HN 0.340 nan 8.190 nan 0.000 0.455 236 E N -0.479 119.600 120.200 -0.201 0.000 2.085 236 E HA -0.252 4.098 4.350 -0.001 0.000 0.194 236 E C 2.403 178.505 176.600 -0.829 0.000 0.994 236 E CA 1.363 57.485 56.400 -0.462 0.000 0.801 236 E CB -0.140 29.362 29.700 -0.330 0.000 0.743 236 E HN 0.537 nan 8.360 nan 0.000 0.453 237 E N 0.379 120.340 120.200 -0.398 0.000 2.072 237 E HA -0.170 4.179 4.350 -0.001 0.000 0.191 237 E C 2.141 178.657 176.600 -0.139 0.000 0.985 237 E CA 1.398 57.686 56.400 -0.187 0.000 0.801 237 E CB 0.016 29.749 29.700 0.054 0.000 0.750 237 E HN 0.240 nan 8.360 nan 0.000 0.452 238 S N 0.516 116.139 115.700 -0.127 0.000 2.383 238 S HA -0.144 4.325 4.470 -0.001 0.000 0.229 238 S C 2.187 176.733 174.600 -0.091 0.000 1.030 238 S CA 1.125 59.281 58.200 -0.074 0.000 1.002 238 S CB -0.630 62.535 63.200 -0.058 0.000 0.829 238 S HN 0.278 nan 8.310 nan 0.000 0.467 239 I N 0.139 120.599 120.570 -0.183 0.000 2.202 239 I HA -0.136 4.033 4.170 -0.001 0.000 0.242 239 I C 2.374 178.465 176.117 -0.043 0.000 1.091 239 I CA 1.349 62.561 61.300 -0.147 0.000 1.368 239 I CB -0.557 37.315 38.000 -0.213 0.000 1.058 239 I HN 0.222 nan 8.210 nan 0.000 0.410 240 Y N 1.021 121.317 120.300 -0.008 0.000 2.165 240 Y HA -0.224 4.325 4.550 -0.001 0.000 0.286 240 Y C 2.699 178.603 175.900 0.007 0.000 1.155 240 Y CA 0.670 58.770 58.100 -0.001 0.000 1.164 240 Y CB -1.101 37.373 38.460 0.023 0.000 0.978 240 Y HN 0.223 nan 8.280 nan 0.000 0.513 241 Q N -1.011 118.875 119.800 0.144 0.000 2.291 241 Q HA -0.143 4.196 4.340 -0.001 0.000 0.206 241 Q C 2.401 178.433 176.000 0.054 0.000 0.976 241 Q CA 1.022 56.878 55.803 0.089 0.000 0.875 241 Q CB -0.915 27.858 28.738 0.058 0.000 0.927 241 Q HN 0.518 nan 8.270 nan 0.000 0.450 242 C N 0.120 119.443 119.300 0.039 0.000 2.419 242 C HA -0.066 4.393 4.460 -0.001 0.000 0.281 242 C C 1.669 176.674 174.990 0.025 0.000 1.336 242 C CA -0.660 58.369 59.018 0.019 0.000 1.770 242 C CB -0.747 26.993 27.740 0.001 0.000 1.929 242 C HN 0.412 nan 8.230 nan 0.000 0.509 243 C N 1.593 120.918 119.300 0.041 0.000 2.745 243 C HA 0.115 4.575 4.460 -0.001 0.000 0.387 243 C C 0.584 175.592 174.990 0.030 0.000 1.312 243 C CA -0.153 58.885 59.018 0.033 0.000 2.204 243 C CB -0.201 27.564 27.740 0.042 0.000 2.686 243 C HN 0.500 nan 8.230 nan 0.000 0.705 244 D N 1.421 121.834 120.400 0.022 0.000 2.365 244 D HA 0.493 5.132 4.640 -0.001 0.000 0.237 244 D C -0.641 175.676 176.300 0.028 0.000 1.190 244 D CA 0.245 54.259 54.000 0.022 0.000 0.867 244 D CB -0.023 40.786 40.800 0.015 0.000 1.050 244 D HN 0.373 nan 8.370 nan 0.000 0.491 245 L N 1.750 122.994 121.223 0.036 0.000 2.309 245 L HA 0.696 5.036 4.340 -0.001 0.000 0.261 245 L C 0.367 177.265 176.870 0.047 0.000 1.021 245 L CA -1.413 53.454 54.840 0.045 0.000 0.823 245 L CB 1.652 43.745 42.059 0.058 0.000 1.366 245 L HN 0.289 nan 8.230 nan 0.000 0.423 246 A N 0.877 123.731 122.820 0.057 0.000 2.425 246 A HA 0.426 4.746 4.320 -0.001 0.000 0.249 246 A C -1.884 175.738 177.584 0.064 0.000 1.084 246 A CA -1.015 51.057 52.037 0.059 0.000 0.781 246 A CB 0.018 19.060 19.000 0.069 0.000 1.019 246 A HN 0.617 nan 8.150 nan 0.000 0.490 247 P HA -0.211 nan 4.420 nan 0.000 0.216 247 P C 1.310 178.641 177.300 0.053 0.000 1.150 247 P CA 1.733 64.859 63.100 0.044 0.000 0.843 247 P CB 0.251 31.972 31.700 0.034 0.000 0.787 248 E N -0.440 119.810 120.200 0.083 0.000 2.106 248 E HA -0.173 4.176 4.350 -0.001 0.000 0.192 248 E C 1.850 178.537 176.600 0.144 0.000 0.984 248 E CA 1.146 57.617 56.400 0.118 0.000 0.806 248 E CB -0.441 29.379 29.700 0.199 0.000 0.750 248 E HN 0.102 nan 8.360 nan 0.000 0.458 249 A N 1.074 123.992 122.820 0.162 0.000 1.929 249 A HA -0.077 4.242 4.320 -0.001 0.000 0.216 249 A C 2.118 179.761 177.584 0.098 0.000 1.176 249 A CA 0.914 53.058 52.037 0.178 0.000 0.628 249 A CB -0.284 18.810 19.000 0.156 0.000 0.816 249 A HN 0.153 nan 8.150 nan 0.000 0.444 250 R N -0.920 119.621 120.500 0.069 0.000 2.081 250 R HA -0.174 4.165 4.340 -0.001 0.000 0.235 250 R C 2.457 178.767 176.300 0.017 0.000 1.131 250 R CA 1.660 57.791 56.100 0.051 0.000 0.960 250 R CB -0.268 30.057 30.300 0.042 0.000 0.856 250 R HN 0.623 nan 8.270 nan 0.000 0.436 251 Q N 0.818 120.609 119.800 -0.015 0.000 2.084 251 Q HA -0.096 4.243 4.340 -0.001 0.000 0.202 251 Q C 1.936 177.857 176.000 -0.132 0.000 0.978 251 Q CA 2.031 57.792 55.803 -0.070 0.000 0.844 251 Q CB -0.226 28.456 28.738 -0.093 0.000 0.898 251 Q HN 0.331 nan 8.270 nan 0.000 0.426 252 A N 0.089 122.796 122.820 -0.187 0.000 1.902 252 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 252 A C 2.132 179.646 177.584 -0.117 0.000 1.181 252 A CA 1.468 53.325 52.037 -0.301 0.000 0.623 252 A CB -0.709 18.007 19.000 -0.473 0.000 0.818 252 A HN 0.485 nan 8.150 nan 0.000 0.443 253 I N -0.496 120.076 120.570 0.002 0.000 2.252 253 I HA -0.252 3.917 4.170 -0.001 0.000 0.245 253 I C 2.523 178.690 176.117 0.082 0.000 1.102 253 I CA 1.826 63.182 61.300 0.094 0.000 1.385 253 I CB -0.192 37.897 38.000 0.149 0.000 1.064 253 I HN 0.414 nan 8.210 nan 0.000 0.414 254 K N 0.534 120.954 120.400 0.034 0.000 2.025 254 K HA -0.203 4.117 4.320 -0.001 0.000 0.207 254 K C 2.354 178.938 176.600 -0.026 0.000 1.049 254 K CA 1.843 58.142 56.287 0.021 0.000 0.933 254 K CB -0.139 32.362 32.500 0.001 0.000 0.714 254 K HN 0.104 nan 8.250 nan 0.000 0.438 255 S N 0.657 116.309 115.700 -0.080 0.000 2.356 255 S HA -0.086 4.384 4.470 -0.001 0.000 0.223 255 S C 1.962 176.467 174.600 -0.159 0.000 1.032 255 S CA 1.157 59.285 58.200 -0.120 0.000 1.005 255 S CB -0.300 62.797 63.200 -0.171 0.000 0.867 255 S HN 0.377 nan 8.310 nan 0.000 0.449 256 L N 0.749 121.847 121.223 -0.209 0.000 2.079 256 L HA -0.112 4.228 4.340 -0.001 0.000 0.210 256 L C 2.747 179.301 176.870 -0.528 0.000 1.081 256 L CA 1.548 56.137 54.840 -0.417 0.000 0.752 256 L CB -1.001 40.760 42.059 -0.495 0.000 0.896 256 L HN 0.359 nan 8.230 nan 0.000 0.433 257 T N -1.033 113.413 114.554 -0.179 0.000 2.701 257 T HA -0.149 4.200 4.350 -0.001 0.000 0.263 257 T C 1.804 176.510 174.700 0.011 0.000 1.040 257 T CA 1.145 63.282 62.100 0.063 0.000 1.147 257 T CB -0.083 68.901 68.868 0.193 0.000 0.865 257 T HN 0.296 nan 8.240 nan 0.000 0.426 258 E N 1.117 121.306 120.200 -0.018 0.000 2.072 258 E HA -0.041 4.308 4.350 -0.001 0.000 0.191 258 E C 2.407 178.990 176.600 -0.029 0.000 0.985 258 E CA 0.939 57.333 56.400 -0.010 0.000 0.801 258 E CB -0.132 29.559 29.700 -0.016 0.000 0.750 258 E HN 0.461 nan 8.360 nan 0.000 0.452 259 R N -0.374 120.080 120.500 -0.077 0.000 2.173 259 R HA 0.060 4.399 4.340 -0.001 0.000 0.208 259 R C 1.946 178.191 176.300 -0.093 0.000 1.035 259 R CA 0.465 56.519 56.100 -0.076 0.000 1.004 259 R CB 0.187 30.432 30.300 -0.093 0.000 0.917 259 R HN 0.058 nan 8.270 nan 0.000 0.462 260 L N -2.271 118.857 121.223 -0.158 0.000 2.691 260 L HA 0.174 4.513 4.340 -0.001 0.000 0.185 260 L C 1.337 178.205 176.870 -0.003 0.000 1.081 260 L CA 0.595 55.350 54.840 -0.142 0.000 0.865 260 L CB -0.284 41.619 42.059 -0.260 0.000 1.370 260 L HN -0.149 nan 8.230 nan 0.000 0.488 261 Y N 0.593 120.917 120.300 0.040 0.000 2.165 261 Y HA -0.140 4.409 4.550 -0.001 0.000 0.286 261 Y C 2.595 178.515 175.900 0.032 0.000 1.155 261 Y CA 1.654 59.786 58.100 0.055 0.000 1.164 261 Y CB -1.024 37.491 38.460 0.092 0.000 0.978 261 Y HN 0.149 nan 8.280 nan 0.000 0.513 262 I N -1.092 119.580 120.570 0.170 0.000 2.226 262 I HA -0.074 4.096 4.170 -0.001 0.000 0.245 262 I C 1.258 177.404 176.117 0.048 0.000 1.100 262 I CA 1.436 62.794 61.300 0.096 0.000 1.374 262 I CB -0.358 37.687 38.000 0.075 0.000 1.057 262 I HN 0.305 nan 8.210 nan 0.000 0.413 263 G N -1.197 107.613 108.800 0.018 0.000 2.322 263 G HA2 0.516 4.476 3.960 -0.001 0.000 0.295 263 G HA3 0.516 4.476 3.960 -0.001 0.000 0.295 263 G C -1.138 173.643 174.900 -0.198 0.000 1.369 263 G CA -0.043 45.016 45.100 -0.069 0.000 0.821 263 G HN 0.395 nan 8.290 nan 0.000 0.536 264 G N -0.842 107.586 108.800 -0.621 0.000 2.325 264 G HA2 0.694 4.654 3.960 -0.001 0.000 0.297 264 G HA3 0.694 4.654 3.960 -0.001 0.000 0.297 264 G C -3.473 170.730 174.900 -1.161 0.000 1.448 264 G CA -0.101 44.530 45.100 -0.781 0.000 0.838 264 G HN 0.693 nan 8.290 nan 0.000 0.579 265 P HA 0.446 nan 4.420 nan 0.000 0.275 265 P C -0.512 176.672 177.300 -0.195 0.000 1.228 265 P CA -0.199 62.716 63.100 -0.309 0.000 0.786 265 P CB 1.318 33.009 31.700 -0.014 0.000 0.927 266 L N 2.161 123.323 121.223 -0.101 0.000 2.296 266 L HA 0.465 4.804 4.340 -0.001 0.000 0.286 266 L C 0.437 177.303 176.870 -0.006 0.000 1.023 266 L CA -0.214 54.600 54.840 -0.044 0.000 0.812 266 L CB 1.591 43.664 42.059 0.022 0.000 1.223 266 L HN 0.284 nan 8.230 nan 0.000 0.421 267 T N 1.494 116.024 114.554 -0.040 0.000 2.841 267 T HA 0.295 4.645 4.350 -0.001 0.000 0.285 267 T C -0.211 174.463 174.700 -0.043 0.000 0.991 267 T CA -0.859 61.222 62.100 -0.032 0.000 0.966 267 T CB 1.356 70.192 68.868 -0.052 0.000 0.962 267 T HN 0.659 nan 8.240 nan 0.000 0.438 268 N N 1.084 119.779 118.700 -0.008 0.000 2.294 268 N HA 0.091 4.830 4.740 -0.001 0.000 0.248 268 N C 1.483 176.982 175.510 -0.019 0.000 1.300 268 N CA -0.144 52.902 53.050 -0.006 0.000 0.925 268 N CB 0.204 38.700 38.487 0.014 0.000 1.188 268 N HN 0.432 nan 8.380 nan 0.000 0.512 269 S N -1.152 114.546 115.700 -0.003 0.000 2.442 269 S HA -0.123 4.346 4.470 -0.001 0.000 0.236 269 S C 1.188 175.784 174.600 -0.005 0.000 1.007 269 S CA 0.732 58.933 58.200 0.002 0.000 0.965 269 S CB -0.422 62.793 63.200 0.025 0.000 0.773 269 S HN 0.618 nan 8.310 nan 0.000 0.504 270 K N 0.542 120.940 120.400 -0.003 0.000 2.418 270 K HA 0.215 4.534 4.320 -0.001 0.000 0.195 270 K C 1.396 177.990 176.600 -0.010 0.000 1.035 270 K CA 0.489 56.773 56.287 -0.004 0.000 1.003 270 K CB -0.123 32.379 32.500 0.003 0.000 0.793 270 K HN 0.592 nan 8.250 nan 0.000 0.494 271 G N 1.201 109.993 108.800 -0.014 0.000 2.179 271 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.220 271 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.220 271 G C -0.281 174.616 174.900 -0.004 0.000 0.990 271 G CA -0.393 44.697 45.100 -0.018 0.000 0.646 271 G HN 0.299 nan 8.290 nan 0.000 0.517 272 Q N 0.552 120.355 119.800 0.006 0.000 2.261 272 Q HA 0.323 4.662 4.340 -0.001 0.000 0.252 272 Q C 0.352 176.370 176.000 0.031 0.000 0.915 272 Q CA -0.443 55.371 55.803 0.020 0.000 0.915 272 Q CB 1.012 29.765 28.738 0.025 0.000 1.204 272 Q HN 0.434 nan 8.270 nan 0.000 0.421 273 N N 1.954 120.678 118.700 0.040 0.000 2.452 273 N HA -0.020 4.720 4.740 -0.001 0.000 0.266 273 N C -0.188 175.375 175.510 0.089 0.000 1.209 273 N CA -0.392 52.691 53.050 0.055 0.000 0.929 273 N CB 0.526 39.048 38.487 0.058 0.000 1.063 273 N HN 0.617 nan 8.380 nan 0.000 0.472 274 C N 2.985 122.357 119.300 0.120 0.000 2.634 274 C HA 0.406 4.865 4.460 -0.001 0.000 0.268 274 C C 1.206 176.372 174.990 0.293 0.000 1.322 274 C CA 0.438 59.587 59.018 0.219 0.000 1.737 274 C CB -1.100 26.805 27.740 0.275 0.000 1.976 274 C HN 0.969 nan 8.230 nan 0.000 0.547 275 G N -1.318 107.567 108.800 0.143 0.000 2.356 275 G HA2 0.279 4.239 3.960 -0.001 0.000 0.266 275 G HA3 0.279 4.239 3.960 -0.001 0.000 0.266 275 G C -2.127 172.782 174.900 0.015 0.000 1.312 275 G CA -0.470 44.652 45.100 0.037 0.000 0.922 275 G HN 0.012 nan 8.290 nan 0.000 0.480 276 Y N 0.555 120.714 120.300 -0.236 0.000 2.477 276 Y HA 0.772 5.322 4.550 -0.001 0.000 0.347 276 Y C 0.132 175.905 175.900 -0.212 0.000 0.981 276 Y CA -0.869 57.128 58.100 -0.171 0.000 1.033 276 Y CB 2.080 40.460 38.460 -0.134 0.000 1.245 276 Y HN 0.695 nan 8.280 nan 0.000 0.455 277 R N 4.527 124.817 120.500 -0.351 0.000 2.393 277 R HA 0.536 4.875 4.340 -0.001 0.000 0.310 277 R C -0.638 175.522 176.300 -0.233 0.000 0.968 277 R CA -0.514 55.395 56.100 -0.318 0.000 0.867 277 R CB 0.854 31.022 30.300 -0.219 0.000 1.124 277 R HN 0.887 nan 8.270 nan 0.000 0.450 278 R N 3.354 123.684 120.500 -0.284 0.000 2.642 278 R HA 0.197 4.536 4.340 -0.001 0.000 0.435 278 R C -0.443 175.748 176.300 -0.181 0.000 1.046 278 R CA -0.228 55.793 56.100 -0.131 0.000 1.103 278 R CB 0.524 30.792 30.300 -0.053 0.000 1.425 278 R HN 0.785 nan 8.270 nan 0.000 0.586 279 C N -1.534 117.605 119.300 -0.268 0.000 3.301 279 C HA 0.635 5.095 4.460 -0.001 0.000 0.367 279 C C -0.031 174.913 174.990 -0.078 0.000 1.980 279 C CA -1.417 57.488 59.018 -0.189 0.000 1.349 279 C CB 1.167 28.731 27.740 -0.293 0.000 2.412 279 C HN 0.316 nan 8.230 nan 0.000 0.451 280 R N 1.166 121.667 120.500 0.002 0.000 2.522 280 R HA 0.497 4.836 4.340 -0.001 0.000 0.284 280 R C -0.033 176.335 176.300 0.114 0.000 1.032 280 R CA 0.894 57.045 56.100 0.085 0.000 1.049 280 R CB -0.031 30.358 30.300 0.148 0.000 0.956 280 R HN 1.147 nan 8.270 nan 0.000 0.422 281 A N 3.362 126.262 122.820 0.133 0.000 2.328 281 A HA 0.265 4.585 4.320 -0.001 0.000 0.284 281 A C 0.857 178.546 177.584 0.175 0.000 1.160 281 A CA -0.021 52.112 52.037 0.160 0.000 0.818 281 A CB 0.642 19.744 19.000 0.170 0.000 1.087 281 A HN 1.004 nan 8.150 nan 0.000 0.504 282 S N 1.897 117.713 115.700 0.193 0.000 2.527 282 S HA 0.097 4.567 4.470 -0.001 0.000 0.222 282 S C 1.056 175.761 174.600 0.175 0.000 0.985 282 S CA 0.688 58.997 58.200 0.182 0.000 0.921 282 S CB 0.080 63.393 63.200 0.189 0.000 0.772 282 S HN 1.225 nan 8.310 nan 0.000 0.529 283 G N 1.911 110.838 108.800 0.212 0.000 4.291 283 G HA2 0.520 4.479 3.960 -0.001 0.000 0.304 283 G HA3 0.520 4.479 3.960 -0.001 0.000 0.304 283 G C -0.148 174.885 174.900 0.222 0.000 1.264 283 G CA -0.101 45.133 45.100 0.224 0.000 1.039 283 G HN 0.599 nan 8.290 nan 0.000 0.578 284 V N -2.480 117.547 119.914 0.188 0.000 3.046 284 V HA 0.578 4.698 4.120 -0.001 0.000 0.316 284 V C 1.315 177.491 176.094 0.138 0.000 1.104 284 V CA -0.975 61.450 62.300 0.209 0.000 1.006 284 V CB 1.781 33.788 31.823 0.306 0.000 1.058 284 V HN 0.070 nan 8.190 nan 0.000 0.440 285 L N 2.528 123.845 121.223 0.155 0.000 2.127 285 L HA -0.045 4.295 4.340 -0.001 0.000 0.211 285 L C 2.276 179.166 176.870 0.033 0.000 1.089 285 L CA 3.023 57.937 54.840 0.123 0.000 0.757 285 L CB -0.601 41.557 42.059 0.166 0.000 0.899 285 L HN 1.088 nan 8.230 nan 0.000 0.434 286 T N -6.024 108.470 114.554 -0.098 0.000 3.129 286 T HA 0.010 4.359 4.350 -0.001 0.000 0.251 286 T C 1.583 176.225 174.700 -0.096 0.000 1.117 286 T CA 0.698 62.685 62.100 -0.189 0.000 1.034 286 T CB -0.641 67.943 68.868 -0.474 0.000 0.968 286 T HN 0.251 nan 8.240 nan 0.000 0.526 287 T N 2.099 116.634 114.554 -0.032 0.000 2.652 287 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 287 T C 2.214 176.940 174.700 0.044 0.000 1.039 287 T CA 1.826 63.944 62.100 0.032 0.000 1.153 287 T CB -0.685 68.228 68.868 0.074 0.000 0.863 287 T HN 0.552 nan 8.240 nan 0.000 0.428 288 S N -0.131 115.575 115.700 0.009 0.000 2.351 288 S HA -0.177 4.292 4.470 -0.001 0.000 0.220 288 S C 2.464 177.099 174.600 0.058 0.000 1.035 288 S CA 1.630 59.831 58.200 0.002 0.000 1.031 288 S CB -1.028 62.063 63.200 -0.182 0.000 0.928 288 S HN 0.673 nan 8.310 nan 0.000 0.433 289 C N 1.316 120.619 119.300 0.006 0.000 2.413 289 C HA 0.079 4.539 4.460 -0.001 0.000 0.276 289 C C 2.802 177.843 174.990 0.085 0.000 1.248 289 C CA 1.121 60.156 59.018 0.029 0.000 1.742 289 C CB -1.886 25.834 27.740 -0.033 0.000 2.017 289 C HN 0.730 nan 8.230 nan 0.000 0.481 290 G N 0.558 109.415 108.800 0.096 0.000 2.433 290 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.216 290 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.216 290 G C 1.502 176.492 174.900 0.150 0.000 1.186 290 G CA 1.084 46.256 45.100 0.120 0.000 0.779 290 G HN 0.583 nan 8.290 nan 0.000 0.543 291 N N 0.457 119.252 118.700 0.158 0.000 2.149 291 N HA -0.095 4.645 4.740 -0.001 0.000 0.188 291 N C 2.354 177.899 175.510 0.058 0.000 1.019 291 N CA 1.697 54.842 53.050 0.157 0.000 0.857 291 N CB -0.713 37.761 38.487 -0.022 0.000 0.997 291 N HN 0.280 nan 8.380 nan 0.000 0.426 292 T N 1.460 116.063 114.554 0.081 0.000 2.777 292 T HA 0.039 4.388 4.350 -0.001 0.000 0.266 292 T C 2.150 176.921 174.700 0.118 0.000 1.040 292 T CA 0.563 62.724 62.100 0.101 0.000 1.141 292 T CB -0.194 68.794 68.868 0.201 0.000 0.868 292 T HN 0.126 nan 8.240 nan 0.000 0.444 293 L N 0.701 121.976 121.223 0.087 0.000 2.027 293 L HA -0.100 4.239 4.340 -0.001 0.000 0.206 293 L C 2.932 179.884 176.870 0.137 0.000 1.074 293 L CA 1.211 56.090 54.840 0.065 0.000 0.745 293 L CB -0.990 41.070 42.059 0.002 0.000 0.898 293 L HN 0.269 nan 8.230 nan 0.000 0.433 294 T N -1.406 113.250 114.554 0.172 0.000 2.821 294 T HA -0.220 4.130 4.350 -0.001 0.000 0.267 294 T C 1.992 176.869 174.700 0.296 0.000 1.046 294 T CA 1.399 63.627 62.100 0.214 0.000 1.139 294 T CB -0.423 68.601 68.868 0.259 0.000 0.871 294 T HN 0.469 nan 8.240 nan 0.000 0.454 295 C N 0.661 120.188 119.300 0.379 0.000 2.440 295 C HA -0.026 4.433 4.460 -0.001 0.000 0.278 295 C C 2.392 177.527 174.990 0.242 0.000 1.295 295 C CA 0.264 59.500 59.018 0.363 0.000 1.738 295 C CB -1.391 26.453 27.740 0.174 0.000 1.987 295 C HN 0.654 nan 8.230 nan 0.000 0.492 296 Y N 1.054 121.405 120.300 0.085 0.000 2.242 296 Y HA -0.040 4.509 4.550 -0.001 0.000 0.291 296 Y C 2.104 178.014 175.900 0.016 0.000 1.137 296 Y CA 1.919 60.048 58.100 0.049 0.000 1.181 296 Y CB -0.485 37.990 38.460 0.024 0.000 0.989 296 Y HN 0.333 nan 8.280 nan 0.000 0.527 297 L N 1.076 122.376 121.223 0.128 0.000 2.005 297 L HA -0.140 4.200 4.340 -0.001 0.000 0.207 297 L C 2.075 178.849 176.870 -0.161 0.000 1.072 297 L CA 1.933 56.734 54.840 -0.065 0.000 0.744 297 L CB -0.987 41.012 42.059 -0.100 0.000 0.895 297 L HN 0.118 nan 8.230 nan 0.000 0.433 298 K N -0.207 120.157 120.400 -0.060 0.000 2.026 298 K HA -0.109 4.211 4.320 -0.001 0.000 0.208 298 K C 2.096 178.666 176.600 -0.049 0.000 1.048 298 K CA 1.506 57.746 56.287 -0.078 0.000 0.929 298 K CB -0.497 32.052 32.500 0.083 0.000 0.713 298 K HN 0.501 nan 8.250 nan 0.000 0.439 299 A N 1.150 123.954 122.820 -0.027 0.000 1.902 299 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 299 A C 2.250 179.832 177.584 -0.003 0.000 1.181 299 A CA 1.792 53.835 52.037 0.009 0.000 0.623 299 A CB -0.546 18.558 19.000 0.174 0.000 0.818 299 A HN 0.177 nan 8.150 nan 0.000 0.443 300 S N -0.095 115.493 115.700 -0.187 0.000 2.370 300 S HA -0.090 4.380 4.470 -0.001 0.000 0.226 300 S C 2.289 176.822 174.600 -0.111 0.000 1.033 300 S CA 1.304 59.366 58.200 -0.230 0.000 1.011 300 S CB -0.453 62.476 63.200 -0.451 0.000 0.852 300 S HN 0.802 nan 8.310 nan 0.000 0.457 301 A N 1.381 124.141 122.820 -0.099 0.000 1.930 301 A HA 0.193 4.513 4.320 -0.001 0.000 0.217 301 A C 2.339 179.953 177.584 0.050 0.000 1.175 301 A CA 1.556 53.586 52.037 -0.012 0.000 0.627 301 A CB -0.992 17.990 19.000 -0.030 0.000 0.815 301 A HN 0.507 nan 8.150 nan 0.000 0.443 302 A N -1.033 121.831 122.820 0.072 0.000 1.933 302 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 302 A C 2.223 179.805 177.584 -0.003 0.000 1.175 302 A CA 1.656 53.619 52.037 -0.122 0.000 0.628 302 A CB -1.226 17.322 19.000 -0.753 0.000 0.814 302 A HN 0.587 nan 8.150 nan 0.000 0.444 303 C N -0.965 118.435 119.300 0.167 0.000 2.432 303 C HA -0.022 4.437 4.460 -0.001 0.000 0.280 303 C C 2.841 177.836 174.990 0.008 0.000 1.353 303 C CA 0.926 60.079 59.018 0.225 0.000 1.766 303 C CB -1.286 26.560 27.740 0.177 0.000 1.924 303 C HN 0.586 nan 8.230 nan 0.000 0.509 304 R N 0.850 121.252 120.500 -0.164 0.000 2.100 304 R HA 0.036 4.376 4.340 -0.001 0.000 0.220 304 R C 2.430 178.441 176.300 -0.482 0.000 1.091 304 R CA 1.297 57.158 56.100 -0.399 0.000 0.986 304 R CB -0.451 29.426 30.300 -0.705 0.000 0.888 304 R HN 0.474 nan 8.270 nan 0.000 0.444 305 A N 1.503 124.082 122.820 -0.402 0.000 1.898 305 A HA -0.053 4.267 4.320 -0.001 0.000 0.216 305 A C 2.264 179.833 177.584 -0.026 0.000 1.181 305 A CA 1.635 53.611 52.037 -0.102 0.000 0.620 305 A CB -0.453 18.551 19.000 0.006 0.000 0.819 305 A HN 0.361 nan 8.150 nan 0.000 0.442 306 A N -1.417 121.398 122.820 -0.007 0.000 2.167 306 A HA 0.203 4.522 4.320 -0.001 0.000 0.214 306 A C 1.059 178.662 177.584 0.031 0.000 1.151 306 A CA 1.017 53.080 52.037 0.044 0.000 0.735 306 A CB -0.412 18.678 19.000 0.150 0.000 0.802 306 A HN 0.513 nan 8.150 nan 0.000 0.467 307 K N -1.846 118.559 120.400 0.008 0.000 3.167 307 K HA -0.147 4.173 4.320 -0.001 0.000 0.272 307 K C -0.952 175.656 176.600 0.014 0.000 1.137 307 K CA 0.220 56.512 56.287 0.007 0.000 0.800 307 K CB -1.960 30.550 32.500 0.016 0.000 1.253 307 K HN 0.338 nan 8.250 nan 0.000 0.497 308 L N 1.464 122.703 121.223 0.027 0.000 2.452 308 L HA 0.079 4.419 4.340 -0.001 0.000 0.267 308 L C 0.886 177.761 176.870 0.008 0.000 1.188 308 L CA 0.686 55.540 54.840 0.023 0.000 0.821 308 L CB 0.576 42.663 42.059 0.048 0.000 1.102 308 L HN 0.063 nan 8.230 nan 0.000 0.470 309 Q N 1.898 121.696 119.800 -0.002 0.000 2.290 309 Q HA 0.170 4.509 4.340 -0.001 0.000 0.259 309 Q C -0.393 175.594 176.000 -0.022 0.000 0.941 309 Q CA -0.515 55.281 55.803 -0.011 0.000 0.912 309 Q CB 1.062 29.790 28.738 -0.016 0.000 1.244 309 Q HN 0.549 nan 8.270 nan 0.000 0.441 310 D N 1.106 121.495 120.400 -0.018 0.000 2.735 310 D HA -0.177 4.462 4.640 -0.001 0.000 0.235 310 D C -0.701 175.580 176.300 -0.031 0.000 1.175 310 D CA 0.280 54.266 54.000 -0.024 0.000 0.683 310 D CB -0.924 39.853 40.800 -0.038 0.000 1.008 310 D HN 0.657 nan 8.370 nan 0.000 0.416 311 C N 0.480 119.771 119.300 -0.016 0.000 2.464 311 C HA 0.713 5.173 4.460 -0.001 0.000 0.370 311 C C 0.821 175.803 174.990 -0.013 0.000 1.267 311 C CA -0.828 58.178 59.018 -0.021 0.000 1.781 311 C CB 0.114 27.855 27.740 0.002 0.000 2.431 311 C HN 0.417 nan 8.230 nan 0.000 0.556 312 T N 6.659 121.198 114.554 -0.025 0.000 2.829 312 T HA 0.623 4.973 4.350 -0.001 0.000 0.282 312 T C 0.136 174.853 174.700 0.029 0.000 0.990 312 T CA -0.240 61.876 62.100 0.027 0.000 1.028 312 T CB 0.980 69.847 68.868 -0.001 0.000 0.951 312 T HN 0.745 nan 8.240 nan 0.000 0.460 313 M N 2.745 122.416 119.600 0.118 0.000 2.716 313 M HA 0.649 5.129 4.480 -0.001 0.000 0.307 313 M C -1.455 174.976 176.300 0.218 0.000 1.223 313 M CA -1.181 54.182 55.300 0.105 0.000 0.871 313 M CB 2.182 34.829 32.600 0.079 0.000 1.739 313 M HN 0.340 nan 8.290 nan 0.000 0.475 314 L N 1.962 123.273 121.223 0.146 0.000 2.457 314 L HA 0.590 4.929 4.340 -0.001 0.000 0.266 314 L C -1.629 175.256 176.870 0.024 0.000 0.979 314 L CA -0.367 54.555 54.840 0.137 0.000 0.857 314 L CB 1.629 43.794 42.059 0.176 0.000 1.213 314 L HN 0.499 nan 8.230 nan 0.000 0.418 315 V N 4.169 124.081 119.914 -0.003 0.000 2.459 315 V HA 0.576 4.695 4.120 -0.001 0.000 0.295 315 V C -0.471 175.452 176.094 -0.284 0.000 1.029 315 V CA -0.567 61.701 62.300 -0.055 0.000 0.874 315 V CB 1.857 33.739 31.823 0.098 0.000 0.985 315 V HN 0.775 nan 8.190 nan 0.000 0.438 316 N N 3.585 122.057 118.700 -0.380 0.000 2.716 316 N HA 0.582 5.322 4.740 -0.001 0.000 0.253 316 N C 0.546 175.862 175.510 -0.322 0.000 1.170 316 N CA 0.602 53.163 53.050 -0.814 0.000 0.807 316 N CB 1.582 39.531 38.487 -0.898 0.000 1.183 316 N HN 1.062 nan 8.380 nan 0.000 0.524 317 G N 2.021 110.801 108.800 -0.032 0.000 2.574 317 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.301 317 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.301 317 G C 0.524 175.273 174.900 -0.252 0.000 1.166 317 G CA 0.644 45.758 45.100 0.024 0.000 0.971 317 G HN 0.557 nan 8.290 nan 0.000 0.542 318 D N 1.210 121.405 120.400 -0.342 0.000 2.350 318 D HA 0.098 4.737 4.640 -0.001 0.000 0.213 318 D C 0.358 176.521 176.300 -0.229 0.000 1.031 318 D CA 0.722 54.336 54.000 -0.643 0.000 0.861 318 D CB -0.033 40.453 40.800 -0.522 0.000 0.926 318 D HN 0.419 nan 8.370 nan 0.000 0.520 319 D N 0.930 121.255 120.400 -0.125 0.000 2.295 319 D HA 0.256 4.896 4.640 -0.001 0.000 0.248 319 D C -0.898 175.382 176.300 -0.034 0.000 1.154 319 D CA -0.474 53.498 54.000 -0.046 0.000 0.857 319 D CB 1.206 41.974 40.800 -0.054 0.000 1.117 319 D HN 0.050 nan 8.370 nan 0.000 0.468 320 L N 4.504 125.755 121.223 0.047 0.000 2.365 320 L HA 0.489 4.828 4.340 -0.001 0.000 0.273 320 L C -1.538 175.334 176.870 0.004 0.000 1.000 320 L CA -0.592 54.283 54.840 0.059 0.000 0.819 320 L CB 2.018 44.181 42.059 0.172 0.000 1.284 320 L HN 0.121 nan 8.230 nan 0.000 0.418 321 V N 5.049 124.926 119.914 -0.062 0.000 2.588 321 V HA 0.661 4.781 4.120 -0.001 0.000 0.304 321 V C -0.763 175.176 176.094 -0.258 0.000 1.042 321 V CA -0.697 61.509 62.300 -0.158 0.000 0.877 321 V CB 1.885 33.655 31.823 -0.089 0.000 0.996 321 V HN 0.533 nan 8.190 nan 0.000 0.425 322 V N 5.888 125.459 119.914 -0.571 0.000 2.531 322 V HA 0.574 4.693 4.120 -0.001 0.000 0.301 322 V C -0.472 175.330 176.094 -0.487 0.000 1.034 322 V CA -0.377 61.545 62.300 -0.630 0.000 0.865 322 V CB 1.931 33.087 31.823 -1.111 0.000 0.995 322 V HN 0.728 nan 8.190 nan 0.000 0.424 323 I N 5.165 125.597 120.570 -0.231 0.000 2.436 323 I HA 0.689 4.859 4.170 -0.001 0.000 0.289 323 I C -0.070 175.959 176.117 -0.147 0.000 1.010 323 I CA -0.293 60.917 61.300 -0.150 0.000 1.098 323 I CB 1.702 39.653 38.000 -0.082 0.000 1.266 323 I HN 0.895 nan 8.210 nan 0.000 0.434 324 C N 2.461 121.671 119.300 -0.149 0.000 3.321 324 C HA 0.568 5.027 4.460 -0.001 0.000 0.363 324 C C -0.586 174.316 174.990 -0.147 0.000 1.705 324 C CA -0.927 58.022 59.018 -0.114 0.000 1.298 324 C CB 1.788 29.502 27.740 -0.044 0.000 2.086 324 C HN 0.587 nan 8.230 nan 0.000 0.438 325 E N 1.834 121.973 120.200 -0.101 0.000 2.223 325 E HA 0.312 4.661 4.350 -0.001 0.000 0.282 325 E C -0.003 176.562 176.600 -0.059 0.000 1.046 325 E CA 0.484 56.825 56.400 -0.098 0.000 0.857 325 E CB 1.689 31.347 29.700 -0.071 0.000 1.055 325 E HN 0.691 nan 8.360 nan 0.000 0.409 326 S N 1.849 117.518 115.700 -0.051 0.000 2.576 326 S HA 0.296 4.765 4.470 -0.001 0.000 0.276 326 S C 0.454 175.052 174.600 -0.002 0.000 1.339 326 S CA 0.093 58.302 58.200 0.015 0.000 1.039 326 S CB 0.637 63.887 63.200 0.084 0.000 0.902 326 S HN 0.528 nan 8.310 nan 0.000 0.516 327 A N 3.046 125.873 122.820 0.011 0.000 2.564 327 A HA 0.662 4.982 4.320 -0.001 0.000 0.279 327 A C 0.739 178.320 177.584 -0.006 0.000 1.232 327 A CA 0.183 52.218 52.037 -0.004 0.000 0.950 327 A CB -0.642 18.356 19.000 -0.003 0.000 1.138 327 A HN 1.839 nan 8.150 nan 0.000 0.526 328 G N -1.665 107.132 108.800 -0.005 0.000 2.742 328 G HA2 0.139 4.099 3.960 -0.001 0.000 0.686 328 G HA3 0.139 4.099 3.960 -0.001 0.000 0.686 328 G C 0.552 175.452 174.900 0.001 0.000 1.220 328 G CA -0.047 45.035 45.100 -0.029 0.000 0.783 328 G HN 1.156 nan 8.290 nan 0.000 0.646 329 V N 1.298 121.184 119.914 -0.048 0.000 2.439 329 V HA -0.228 3.891 4.120 -0.001 0.000 0.253 329 V C 2.517 178.643 176.094 0.053 0.000 1.074 329 V CA 3.201 65.516 62.300 0.025 0.000 1.076 329 V CB -0.167 31.620 31.823 -0.060 0.000 0.664 329 V HN 0.779 nan 8.190 nan 0.000 0.461 330 Q N -0.599 119.209 119.800 0.014 0.000 2.083 330 Q HA -0.115 4.224 4.340 -0.001 0.000 0.198 330 Q C 2.345 178.353 176.000 0.013 0.000 0.969 330 Q CA 1.711 57.521 55.803 0.012 0.000 0.838 330 Q CB -0.390 28.348 28.738 -0.001 0.000 0.900 330 Q HN 0.677 nan 8.270 nan 0.000 0.436 331 E N 0.782 120.989 120.200 0.012 0.000 2.072 331 E HA -0.128 4.221 4.350 -0.001 0.000 0.190 331 E C 1.577 178.181 176.600 0.007 0.000 0.982 331 E CA 0.715 57.120 56.400 0.007 0.000 0.803 331 E CB 0.027 29.730 29.700 0.004 0.000 0.755 331 E HN 0.310 nan 8.360 nan 0.000 0.453 332 D N 0.855 121.273 120.400 0.030 0.000 2.126 332 D HA -0.197 4.443 4.640 -0.001 0.000 0.190 332 D C 1.831 178.112 176.300 -0.031 0.000 1.001 332 D CA 1.805 55.817 54.000 0.020 0.000 0.841 332 D CB -0.445 40.423 40.800 0.114 0.000 0.949 332 D HN 0.184 nan 8.370 nan 0.000 0.446 333 A N 0.856 123.675 122.820 -0.001 0.000 1.940 333 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 333 A C 2.303 179.864 177.584 -0.037 0.000 1.176 333 A CA 2.537 54.559 52.037 -0.025 0.000 0.631 333 A CB -0.728 18.276 19.000 0.006 0.000 0.814 333 A HN 0.269 nan 8.150 nan 0.000 0.446 334 A N -0.643 122.164 122.820 -0.021 0.000 1.855 334 A HA -0.036 4.283 4.320 -0.001 0.000 0.215 334 A C 2.460 180.031 177.584 -0.023 0.000 1.191 334 A CA 1.984 54.011 52.037 -0.017 0.000 0.613 334 A CB -1.004 17.991 19.000 -0.008 0.000 0.829 334 A HN 0.454 nan 8.150 nan 0.000 0.442 335 S N -0.150 115.534 115.700 -0.028 0.000 2.359 335 S HA -0.163 4.307 4.470 -0.001 0.000 0.224 335 S C 1.893 176.469 174.600 -0.040 0.000 1.035 335 S CA 1.436 59.622 58.200 -0.023 0.000 1.018 335 S CB -0.569 62.614 63.200 -0.028 0.000 0.876 335 S HN 0.480 nan 8.310 nan 0.000 0.448 336 L N 1.117 122.257 121.223 -0.137 0.000 2.043 336 L HA -0.209 4.130 4.340 -0.001 0.000 0.212 336 L C 2.655 179.488 176.870 -0.061 0.000 1.075 336 L CA 1.513 56.200 54.840 -0.256 0.000 0.752 336 L CB -0.250 41.572 42.059 -0.394 0.000 0.891 336 L HN 0.295 nan 8.230 nan 0.000 0.432 337 R N -0.738 119.741 120.500 -0.035 0.000 2.096 337 R HA -0.148 4.191 4.340 -0.001 0.000 0.235 337 R C 2.288 178.602 176.300 0.023 0.000 1.127 337 R CA 1.277 57.380 56.100 0.005 0.000 0.968 337 R CB -0.439 29.856 30.300 -0.007 0.000 0.861 337 R HN 0.418 nan 8.270 nan 0.000 0.440 338 A N 0.751 123.583 122.820 0.019 0.000 1.898 338 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 338 A C 1.948 179.542 177.584 0.017 0.000 1.181 338 A CA 0.943 52.985 52.037 0.009 0.000 0.620 338 A CB -0.595 18.411 19.000 0.010 0.000 0.819 338 A HN 0.352 nan 8.150 nan 0.000 0.442 339 F N 1.538 121.432 119.950 -0.093 0.000 2.069 339 F HA -0.203 4.323 4.527 -0.001 0.000 0.298 339 F C 2.502 178.241 175.800 -0.103 0.000 1.113 339 F CA 2.447 60.388 58.000 -0.099 0.000 1.214 339 F CB -0.674 38.256 39.000 -0.117 0.000 0.978 339 F HN 0.222 nan 8.300 nan 0.000 0.474 340 T N -0.055 114.592 114.554 0.155 0.000 2.684 340 T HA -0.246 4.103 4.350 -0.001 0.000 0.267 340 T C 1.733 176.414 174.700 -0.032 0.000 1.036 340 T CA 1.899 64.085 62.100 0.143 0.000 1.148 340 T CB -0.425 68.579 68.868 0.226 0.000 0.863 340 T HN 0.379 nan 8.240 nan 0.000 0.436 341 E N 0.764 120.927 120.200 -0.063 0.000 2.058 341 E HA -0.094 4.256 4.350 -0.001 0.000 0.194 341 E C 2.534 178.989 176.600 -0.242 0.000 0.997 341 E CA 1.054 57.386 56.400 -0.114 0.000 0.801 341 E CB -0.262 29.385 29.700 -0.088 0.000 0.746 341 E HN 0.488 nan 8.360 nan 0.000 0.450 342 A N 1.136 123.758 122.820 -0.331 0.000 1.851 342 A HA -0.236 4.084 4.320 -0.001 0.000 0.216 342 A C 2.157 179.286 177.584 -0.759 0.000 1.195 342 A CA 1.608 53.291 52.037 -0.591 0.000 0.622 342 A CB -0.477 18.227 19.000 -0.493 0.000 0.831 342 A HN 0.148 nan 8.150 nan 0.000 0.444 343 M N -0.217 119.059 119.600 -0.539 0.000 2.108 343 M HA -0.159 4.320 4.480 -0.001 0.000 0.257 343 M C 2.209 178.418 176.300 -0.151 0.000 1.071 343 M CA 2.271 57.382 55.300 -0.315 0.000 1.093 343 M CB -2.070 30.266 32.600 -0.439 0.000 1.345 343 M HN 0.498 nan 8.290 nan 0.000 0.403 344 T N -0.500 113.970 114.554 -0.140 0.000 2.746 344 T HA -0.157 4.193 4.350 -0.001 0.000 0.267 344 T C 1.988 176.615 174.700 -0.121 0.000 1.039 344 T CA 1.368 63.423 62.100 -0.075 0.000 1.142 344 T CB -0.238 68.594 68.868 -0.060 0.000 0.866 344 T HN 0.320 nan 8.240 nan 0.000 0.444 345 R N -0.224 120.127 120.500 -0.248 0.000 2.152 345 R HA -0.037 4.302 4.340 -0.001 0.000 0.232 345 R C 1.246 177.456 176.300 -0.151 0.000 1.117 345 R CA 1.019 56.968 56.100 -0.252 0.000 0.981 345 R CB -0.153 29.917 30.300 -0.383 0.000 0.870 345 R HN 0.418 nan 8.270 nan 0.000 0.451 346 Y N -0.421 119.811 120.300 -0.113 0.000 2.462 346 Y HA 0.181 4.730 4.550 -0.001 0.000 0.293 346 Y C 0.744 176.585 175.900 -0.098 0.000 1.195 346 Y CA -0.199 57.825 58.100 -0.126 0.000 1.276 346 Y CB -0.148 38.262 38.460 -0.082 0.000 1.082 346 Y HN -0.055 nan 8.280 nan 0.000 0.514 347 S N 0.014 115.742 115.700 0.046 0.000 3.858 347 S HA -0.146 4.324 4.470 -0.001 0.000 0.356 347 S C 0.056 174.667 174.600 0.018 0.000 1.013 347 S CA 0.503 58.715 58.200 0.021 0.000 1.083 347 S CB -1.397 61.806 63.200 0.005 0.000 0.883 347 S HN 0.708 nan 8.310 nan 0.000 0.475 348 A N 1.618 124.466 122.820 0.047 0.000 3.365 348 A HA 0.566 4.886 4.320 -0.001 0.000 0.258 348 A C -2.198 175.500 177.584 0.190 0.000 0.964 348 A CA -0.677 51.416 52.037 0.093 0.000 0.988 348 A CB 0.818 19.896 19.000 0.131 0.000 1.193 348 A HN 0.478 nan 8.150 nan 0.000 0.508 349 P HA 0.234 nan 4.420 nan 0.000 0.269 349 P C -2.927 174.447 177.300 0.124 0.000 1.209 349 P CA -0.764 62.397 63.100 0.101 0.000 0.776 349 P CB 0.766 32.454 31.700 -0.020 0.000 0.876 350 P HA 0.121 nan 4.420 nan 0.000 0.282 350 P C 0.754 178.000 177.300 -0.090 0.000 1.249 350 P CA -0.069 62.946 63.100 -0.142 0.000 0.806 350 P CB 1.088 32.612 31.700 -0.292 0.000 0.984 351 G N 1.819 110.561 108.800 -0.097 0.000 2.437 351 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.212 351 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.212 351 G C 0.084 174.946 174.900 -0.063 0.000 1.174 351 G CA 0.324 45.392 45.100 -0.055 0.000 0.811 351 G HN 0.465 nan 8.290 nan 0.000 0.537 352 D N 0.808 121.156 120.400 -0.087 0.000 2.375 352 D HA 0.362 5.002 4.640 -0.001 0.000 0.247 352 D C -2.656 173.591 176.300 -0.089 0.000 1.061 352 D CA -1.208 52.751 54.000 -0.069 0.000 0.834 352 D CB 2.111 42.880 40.800 -0.052 0.000 1.247 352 D HN -0.062 nan 8.370 nan 0.000 0.489 353 P HA 0.079 nan 4.420 nan 0.000 0.261 353 P C -2.245 175.042 177.300 -0.023 0.000 1.183 353 P CA -0.656 62.425 63.100 -0.032 0.000 0.761 353 P CB -0.131 31.560 31.700 -0.015 0.000 0.785 354 P HA 0.069 nan 4.420 nan 0.000 0.271 354 P C -0.867 176.434 177.300 0.002 0.000 1.216 354 P CA -0.008 63.123 63.100 0.051 0.000 0.771 354 P CB 0.956 32.764 31.700 0.180 0.000 0.864 355 Q N 4.077 123.893 119.800 0.028 0.000 2.340 355 Q HA 0.411 4.751 4.340 -0.001 0.000 0.268 355 Q C -2.525 173.476 176.000 0.002 0.000 1.031 355 Q CA -2.427 53.374 55.803 -0.004 0.000 0.804 355 Q CB 2.429 31.172 28.738 0.008 0.000 1.286 355 Q HN 0.314 nan 8.270 nan 0.000 0.448 356 P HA 0.149 nan 4.420 nan 0.000 0.275 356 P C -1.050 176.098 177.300 -0.253 0.000 1.227 356 P CA 0.004 63.019 63.100 -0.141 0.000 0.781 356 P CB 1.119 32.705 31.700 -0.190 0.000 0.906 357 E N 2.141 122.162 120.200 -0.298 0.000 2.266 357 E HA 0.226 4.575 4.350 -0.001 0.000 0.268 357 E C -0.575 175.839 176.600 -0.310 0.000 0.879 357 E CA -0.494 55.761 56.400 -0.242 0.000 0.762 357 E CB 1.480 31.166 29.700 -0.023 0.000 1.199 357 E HN 0.438 nan 8.360 nan 0.000 0.422 358 Y N -0.272 120.188 120.300 0.267 0.000 2.531 358 Y HA 0.192 4.741 4.550 -0.001 0.000 0.249 358 Y C 0.279 176.450 175.900 0.452 0.000 1.168 358 Y CA -0.367 57.951 58.100 0.364 0.000 1.226 358 Y CB 0.992 39.557 38.460 0.176 0.000 1.177 358 Y HN 0.232 nan 8.280 nan 0.000 0.527 359 D N 0.614 121.178 120.400 0.274 0.000 2.505 359 D HA 0.110 4.749 4.640 -0.001 0.000 0.250 359 D C 0.825 176.899 176.300 -0.376 0.000 1.164 359 D CA -0.223 53.777 54.000 -0.001 0.000 0.870 359 D CB 1.662 42.475 40.800 0.021 0.000 1.160 359 D HN 0.120 nan 8.370 nan 0.000 0.549 360 L N 4.721 125.367 121.223 -0.961 0.000 1.997 360 L HA -0.192 4.147 4.340 -0.001 0.000 0.216 360 L C 1.728 178.288 176.870 -0.518 0.000 1.074 360 L CA 2.107 56.261 54.840 -1.143 0.000 0.763 360 L CB -0.543 40.717 42.059 -1.332 0.000 0.890 360 L HN 0.525 nan 8.230 nan 0.000 0.434 361 E N -0.804 119.183 120.200 -0.355 0.000 2.273 361 E HA -0.222 4.128 4.350 -0.001 0.000 0.198 361 E C 2.007 178.518 176.600 -0.150 0.000 1.002 361 E CA 1.097 57.374 56.400 -0.204 0.000 0.828 361 E CB -0.264 29.360 29.700 -0.126 0.000 0.747 361 E HN 0.554 nan 8.360 nan 0.000 0.491 362 L N 0.723 121.859 121.223 -0.146 0.000 2.591 362 L HA 0.156 4.496 4.340 -0.001 0.000 0.228 362 L C 0.644 177.467 176.870 -0.079 0.000 1.133 362 L CA -0.082 54.708 54.840 -0.084 0.000 0.880 362 L CB 0.142 42.174 42.059 -0.045 0.000 1.033 362 L HN 0.038 nan 8.230 nan 0.000 0.450 363 I N -0.065 120.434 120.570 -0.119 0.000 2.315 363 I HA 0.143 4.312 4.170 -0.001 0.000 0.291 363 I C 0.001 176.073 176.117 -0.075 0.000 1.006 363 I CA 0.085 61.335 61.300 -0.084 0.000 1.265 363 I CB 1.487 39.427 38.000 -0.100 0.000 1.387 363 I HN -0.130 nan 8.210 nan 0.000 0.475 364 T N 5.043 119.572 114.554 -0.043 0.000 2.779 364 T HA 0.500 4.849 4.350 -0.001 0.000 0.280 364 T C -0.310 174.380 174.700 -0.017 0.000 0.987 364 T CA -0.579 61.502 62.100 -0.031 0.000 0.966 364 T CB 1.089 69.944 68.868 -0.022 0.000 0.933 364 T HN 0.747 nan 8.240 nan 0.000 0.442 365 S N 0.987 116.680 115.700 -0.012 0.000 2.546 365 S HA 0.462 4.932 4.470 -0.001 0.000 0.274 365 S C 0.186 174.794 174.600 0.014 0.000 1.121 365 S CA -0.766 57.430 58.200 -0.007 0.000 0.887 365 S CB 0.890 64.072 63.200 -0.029 0.000 1.094 365 S HN 0.889 nan 8.310 nan 0.000 0.474 366 C N 1.838 121.148 119.300 0.017 0.000 4.356 366 C HA -0.188 4.272 4.460 -0.001 0.000 0.296 366 C C 1.337 176.386 174.990 0.099 0.000 1.424 366 C CA 0.923 59.971 59.018 0.051 0.000 2.000 366 C CB -3.082 24.685 27.740 0.044 0.000 1.262 366 C HN 1.747 nan 8.230 nan 0.000 0.789 367 S N -1.312 114.429 115.700 0.068 0.000 3.380 367 S HA -0.221 4.248 4.470 -0.001 0.000 0.300 367 S C 0.269 174.903 174.600 0.057 0.000 1.255 367 S CA 1.444 59.681 58.200 0.061 0.000 0.963 367 S CB -1.332 61.919 63.200 0.085 0.000 1.106 367 S HN 1.917 nan 8.310 nan 0.000 0.629 368 S N 0.924 116.667 115.700 0.073 0.000 2.704 368 S HA 0.842 5.312 4.470 -0.001 0.000 0.296 368 S C -0.900 173.712 174.600 0.021 0.000 1.138 368 S CA -0.452 57.797 58.200 0.081 0.000 0.875 368 S CB 2.190 65.528 63.200 0.230 0.000 1.151 368 S HN 0.586 nan 8.310 nan 0.000 0.500 369 N N -0.796 117.902 118.700 -0.004 0.000 2.708 369 N HA 0.394 5.134 4.740 -0.001 0.000 0.257 369 N C -1.500 173.941 175.510 -0.115 0.000 1.373 369 N CA -0.692 52.318 53.050 -0.066 0.000 0.843 369 N CB 1.462 39.900 38.487 -0.081 0.000 1.503 369 N HN 0.482 nan 8.380 nan 0.000 0.504 370 V N 0.323 120.141 119.914 -0.159 0.000 2.881 370 V HA 0.506 4.626 4.120 -0.001 0.000 0.303 370 V C 0.488 176.448 176.094 -0.224 0.000 1.070 370 V CA 0.038 62.219 62.300 -0.198 0.000 1.074 370 V CB 1.108 32.805 31.823 -0.210 0.000 1.012 370 V HN 0.854 nan 8.190 nan 0.000 0.482 371 S N 1.626 117.139 115.700 -0.312 0.000 2.625 371 S HA 0.721 5.191 4.470 -0.001 0.000 0.271 371 S C -1.498 173.029 174.600 -0.123 0.000 1.161 371 S CA -0.371 57.671 58.200 -0.262 0.000 0.820 371 S CB 1.985 64.952 63.200 -0.388 0.000 1.137 371 S HN 0.758 nan 8.310 nan 0.000 0.470 372 V N 1.309 121.244 119.914 0.034 0.000 2.823 372 V HA 1.012 5.131 4.120 -0.001 0.000 0.312 372 V C -0.269 175.802 176.094 -0.038 0.000 1.072 372 V CA 0.338 62.595 62.300 -0.071 0.000 0.937 372 V CB 1.227 32.853 31.823 -0.327 0.000 1.013 372 V HN 1.356 nan 8.190 nan 0.000 0.430 373 A N 4.736 127.371 122.820 -0.308 0.000 2.525 373 A HA 0.882 5.201 4.320 -0.001 0.000 0.291 373 A C -1.260 175.833 177.584 -0.819 0.000 1.268 373 A CA -0.620 51.091 52.037 -0.543 0.000 0.712 373 A CB 1.732 20.195 19.000 -0.895 0.000 1.320 373 A HN 0.959 nan 8.150 nan 0.000 0.456 374 H N 0.219 118.926 119.070 -0.605 0.000 2.717 374 H HA 0.404 4.959 4.556 -0.001 0.000 0.366 374 H C -1.179 173.803 175.328 -0.577 0.000 1.132 374 H CA -0.418 55.296 56.048 -0.556 0.000 1.180 374 H CB 1.874 31.273 29.762 -0.606 0.000 1.678 374 H HN 0.903 nan 8.280 nan 0.000 0.537 375 D N 0.819 121.096 120.400 -0.204 0.000 2.478 375 D HA 0.262 4.902 4.640 -0.001 0.000 0.274 375 D C 1.401 177.754 176.300 0.088 0.000 1.234 375 D CA -0.404 53.548 54.000 -0.080 0.000 1.069 375 D CB 0.341 41.109 40.800 -0.053 0.000 1.113 375 D HN 0.439 nan 8.370 nan 0.000 0.571 376 A N -0.208 122.684 122.820 0.120 0.000 1.883 376 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 376 A C 2.147 179.802 177.584 0.120 0.000 1.186 376 A CA 2.171 54.293 52.037 0.142 0.000 0.624 376 A CB -1.308 17.742 19.000 0.083 0.000 0.822 376 A HN 0.484 nan 8.150 nan 0.000 0.444 377 S N -1.630 114.115 115.700 0.075 0.000 2.465 377 S HA 0.185 4.655 4.470 -0.001 0.000 0.241 377 S C 1.568 176.211 174.600 0.071 0.000 1.000 377 S CA 1.361 59.595 58.200 0.056 0.000 0.964 377 S CB -0.335 62.886 63.200 0.034 0.000 0.763 377 S HN 1.787 nan 8.310 nan 0.000 0.512 378 G N 1.251 110.114 108.800 0.105 0.000 2.175 378 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.244 378 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.244 378 G C 0.050 175.019 174.900 0.116 0.000 0.982 378 G CA 0.263 45.435 45.100 0.119 0.000 0.641 378 G HN 0.539 nan 8.290 nan 0.000 0.527 379 K N 0.761 121.186 120.400 0.042 0.000 2.326 379 K HA 0.448 4.768 4.320 -0.001 0.000 0.275 379 K C 0.716 177.241 176.600 -0.126 0.000 1.018 379 K CA -0.674 55.607 56.287 -0.010 0.000 0.962 379 K CB 0.312 32.795 32.500 -0.028 0.000 0.953 379 K HN 0.272 nan 8.250 nan 0.000 0.475 380 R N 1.958 122.336 120.500 -0.203 0.000 2.401 380 R HA 0.125 4.465 4.340 -0.001 0.000 0.299 380 R C -0.617 175.414 176.300 -0.449 0.000 1.064 380 R CA -0.267 55.542 56.100 -0.485 0.000 1.000 380 R CB 1.073 31.119 30.300 -0.424 0.000 0.973 380 R HN 0.358 nan 8.270 nan 0.000 0.438 381 V N 5.157 124.756 119.914 -0.525 0.000 2.577 381 V HA 0.372 4.491 4.120 -0.001 0.000 0.303 381 V C -1.410 174.486 176.094 -0.330 0.000 1.042 381 V CA -0.779 61.312 62.300 -0.347 0.000 0.872 381 V CB 1.244 32.935 31.823 -0.218 0.000 0.998 381 V HN 0.605 nan 8.190 nan 0.000 0.423 382 Y N 7.579 127.863 120.300 -0.026 0.000 2.304 382 Y HA 0.680 5.229 4.550 -0.001 0.000 0.328 382 Y C 0.068 176.026 175.900 0.097 0.000 1.123 382 Y CA 0.094 58.196 58.100 0.003 0.000 1.218 382 Y CB 1.196 39.612 38.460 -0.072 0.000 1.207 382 Y HN 0.828 nan 8.280 nan 0.000 0.495 383 Y N 0.697 121.038 120.300 0.069 0.000 2.625 383 Y HA 0.677 5.226 4.550 -0.001 0.000 0.338 383 Y C -2.112 173.838 175.900 0.083 0.000 1.123 383 Y CA -2.220 55.908 58.100 0.046 0.000 1.046 383 Y CB 0.665 39.119 38.460 -0.009 0.000 1.299 383 Y HN 0.455 nan 8.280 nan 0.000 0.464 384 L N 2.231 123.466 121.223 0.020 0.000 2.292 384 L HA 0.744 5.083 4.340 -0.001 0.000 0.284 384 L C 0.013 177.012 176.870 0.215 0.000 1.065 384 L CA 0.518 55.374 54.840 0.026 0.000 0.806 384 L CB 1.234 43.368 42.059 0.125 0.000 1.175 384 L HN 1.050 nan 8.230 nan 0.000 0.431 385 T N 4.423 119.039 114.554 0.103 0.000 2.669 385 T HA 0.884 5.233 4.350 -0.001 0.000 0.283 385 T C -1.074 173.666 174.700 0.066 0.000 1.019 385 T CA -0.463 61.766 62.100 0.216 0.000 1.039 385 T CB 1.117 70.100 68.868 0.192 0.000 1.374 385 T HN 0.884 nan 8.240 nan 0.000 0.523 386 R N 0.175 120.670 120.500 -0.009 0.000 2.764 386 R HA 0.408 4.748 4.340 -0.001 0.000 0.276 386 R C -1.714 174.401 176.300 -0.308 0.000 1.021 386 R CA -0.978 55.021 56.100 -0.169 0.000 0.870 386 R CB 0.190 30.326 30.300 -0.274 0.000 1.293 386 R HN 0.515 nan 8.270 nan 0.000 0.469 387 D N 1.881 122.104 120.400 -0.295 0.000 2.358 387 D HA 0.090 4.729 4.640 -0.001 0.000 0.258 387 D C -1.325 174.629 176.300 -0.578 0.000 1.223 387 D CA -1.632 52.163 54.000 -0.343 0.000 0.886 387 D CB 1.358 42.041 40.800 -0.195 0.000 1.120 387 D HN 0.340 nan 8.370 nan 0.000 0.482 388 P HA -0.072 nan 4.420 nan 0.000 0.237 388 P C 1.246 178.241 177.300 -0.508 0.000 1.178 388 P CA 0.329 62.775 63.100 -1.091 0.000 0.766 388 P CB 0.344 31.321 31.700 -1.204 0.000 0.876 389 T N 0.408 114.777 114.554 -0.308 0.000 2.570 389 T HA -0.162 4.187 4.350 -0.001 0.000 0.266 389 T C 1.841 176.490 174.700 -0.084 0.000 1.071 389 T CA 2.688 64.705 62.100 -0.138 0.000 1.172 389 T CB -1.222 67.606 68.868 -0.066 0.000 0.864 389 T HN 0.216 nan 8.240 nan 0.000 0.421 390 T N 2.078 116.589 114.554 -0.073 0.000 2.746 390 T HA -0.049 4.300 4.350 -0.001 0.000 0.267 390 T C -0.596 174.075 174.700 -0.048 0.000 1.039 390 T CA 1.192 63.279 62.100 -0.023 0.000 1.142 390 T CB -1.115 67.771 68.868 0.031 0.000 0.866 390 T HN 0.346 nan 8.240 nan 0.000 0.444 391 P HA 0.041 nan 4.420 nan 0.000 0.217 391 P C 1.509 178.853 177.300 0.074 0.000 1.150 391 P CA 0.827 63.927 63.100 0.000 0.000 0.832 391 P CB -0.138 31.518 31.700 -0.074 0.000 0.787 392 L N -1.309 119.919 121.223 0.008 0.000 2.109 392 L HA -0.105 4.235 4.340 -0.001 0.000 0.207 392 L C 2.426 179.358 176.870 0.103 0.000 1.086 392 L CA 1.386 56.268 54.840 0.070 0.000 0.760 392 L CB -1.152 40.912 42.059 0.008 0.000 0.910 392 L HN -0.050 nan 8.230 nan 0.000 0.437 393 A N 0.319 123.184 122.820 0.075 0.000 1.933 393 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 393 A C 2.373 180.043 177.584 0.144 0.000 1.175 393 A CA 1.472 53.575 52.037 0.109 0.000 0.628 393 A CB -0.433 18.613 19.000 0.077 0.000 0.814 393 A HN 0.332 nan 8.150 nan 0.000 0.444 394 R N -0.712 119.845 120.500 0.095 0.000 2.115 394 R HA 0.032 4.371 4.340 -0.001 0.000 0.226 394 R C 2.411 178.870 176.300 0.265 0.000 1.100 394 R CA 0.957 57.123 56.100 0.110 0.000 0.980 394 R CB -0.367 29.936 30.300 0.006 0.000 0.875 394 R HN 0.505 nan 8.270 nan 0.000 0.445 395 A N 1.278 124.284 122.820 0.310 0.000 1.930 395 A HA -0.065 4.254 4.320 -0.001 0.000 0.217 395 A C 2.335 180.184 177.584 0.442 0.000 1.175 395 A CA 1.536 53.884 52.037 0.518 0.000 0.627 395 A CB -0.462 18.876 19.000 0.563 0.000 0.815 395 A HN 0.367 nan 8.150 nan 0.000 0.443 396 A N -1.333 121.652 122.820 0.275 0.000 1.898 396 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 396 A C 2.093 179.804 177.584 0.212 0.000 1.181 396 A CA 1.339 53.489 52.037 0.189 0.000 0.620 396 A CB -0.793 18.301 19.000 0.155 0.000 0.819 396 A HN 0.820 nan 8.150 nan 0.000 0.442 397 W N 1.124 122.477 121.300 0.088 0.000 2.379 397 W HA -0.112 4.547 4.660 -0.001 0.000 0.307 397 W C 1.435 178.004 176.519 0.082 0.000 1.200 397 W CA 1.802 59.182 57.345 0.059 0.000 1.297 397 W CB -0.285 29.190 29.460 0.026 0.000 1.140 397 W HN 0.543 nan 8.180 nan 0.000 0.507 398 E N -0.730 119.736 120.200 0.444 0.000 2.516 398 E HA -0.093 4.257 4.350 -0.001 0.000 0.199 398 E C 1.791 178.561 176.600 0.283 0.000 1.069 398 E CA 0.934 57.551 56.400 0.361 0.000 0.876 398 E CB -0.032 29.916 29.700 0.412 0.000 0.843 398 E HN 0.062 nan 8.360 nan 0.000 0.530 399 T N 0.066 114.770 114.554 0.250 0.000 2.978 399 T HA 0.039 4.388 4.350 -0.001 0.000 0.262 399 T C 1.624 176.316 174.700 -0.012 0.000 1.063 399 T CA 1.050 63.237 62.100 0.145 0.000 1.140 399 T CB 0.211 69.179 68.868 0.166 0.000 0.886 399 T HN 0.214 nan 8.240 nan 0.000 0.470 400 A N 0.257 123.039 122.820 -0.064 0.000 2.469 400 A HA 0.402 4.722 4.320 -0.001 0.000 0.245 400 A C 0.678 178.179 177.584 -0.140 0.000 1.221 400 A CA -0.196 51.764 52.037 -0.128 0.000 0.946 400 A CB 0.567 19.457 19.000 -0.183 0.000 1.049 400 A HN 0.081 nan 8.150 nan 0.000 0.529 401 R N 0.609 121.040 120.500 -0.115 0.000 2.533 401 R HA 0.329 4.668 4.340 -0.001 0.000 0.288 401 R C -1.717 174.602 176.300 0.031 0.000 1.039 401 R CA -0.507 55.583 56.100 -0.016 0.000 0.909 401 R CB 0.955 31.258 30.300 0.005 0.000 1.195 401 R HN 0.458 nan 8.270 nan 0.000 0.438 402 H N 0.733 119.875 119.070 0.120 0.000 2.764 402 H HA 0.219 4.775 4.556 -0.001 0.000 0.341 402 H C 0.671 176.073 175.328 0.124 0.000 1.072 402 H CA 0.579 56.702 56.048 0.124 0.000 1.444 402 H CB 0.867 30.677 29.762 0.081 0.000 1.458 402 H HN 0.552 nan 8.280 nan 0.000 0.572 403 T N -0.340 114.332 114.554 0.198 0.000 2.916 403 T HA 0.297 4.646 4.350 -0.001 0.000 0.292 403 T C -1.830 172.889 174.700 0.033 0.000 1.064 403 T CA -2.047 60.122 62.100 0.116 0.000 1.011 403 T CB 1.614 70.542 68.868 0.100 0.000 1.152 403 T HN 0.243 nan 8.240 nan 0.000 0.510 404 P HA 0.141 nan 4.420 nan 0.000 0.220 404 P C -0.260 176.982 177.300 -0.098 0.000 1.148 404 P CA 0.389 63.428 63.100 -0.102 0.000 0.803 404 P CB 0.179 31.819 31.700 -0.100 0.000 0.782 405 V N 1.078 120.947 119.914 -0.075 0.000 2.482 405 V HA 0.200 4.320 4.120 -0.001 0.000 0.295 405 V C -0.409 175.622 176.094 -0.104 0.000 1.026 405 V CA -0.850 61.392 62.300 -0.095 0.000 0.856 405 V CB 1.654 33.422 31.823 -0.091 0.000 1.001 405 V HN -0.011 nan 8.190 nan 0.000 0.424 406 N N 3.224 121.818 118.700 -0.177 0.000 2.482 406 N HA 0.057 4.797 4.740 -0.001 0.000 0.242 406 N C 1.382 176.644 175.510 -0.413 0.000 1.100 406 N CA 0.210 53.084 53.050 -0.294 0.000 0.946 406 N CB 1.642 39.835 38.487 -0.489 0.000 1.227 406 N HN 0.823 nan 8.380 nan 0.000 0.508 407 S N 2.251 117.830 115.700 -0.202 0.000 2.399 407 S HA -0.123 4.347 4.470 -0.001 0.000 0.231 407 S C 1.861 176.381 174.600 -0.133 0.000 1.022 407 S CA 0.223 58.346 58.200 -0.128 0.000 0.983 407 S CB -0.415 62.772 63.200 -0.022 0.000 0.803 407 S HN 0.801 nan 8.310 nan 0.000 0.480 408 W N 1.589 122.789 121.300 -0.167 0.000 2.342 408 W HA -0.062 4.598 4.660 -0.001 0.000 0.297 408 W C 1.715 178.146 176.519 -0.147 0.000 1.213 408 W CA 0.621 57.823 57.345 -0.238 0.000 1.251 408 W CB -1.067 27.840 29.460 -0.923 0.000 1.136 408 W HN 0.379 nan 8.180 nan 0.000 0.526 409 L N 2.841 123.315 121.223 -1.249 0.000 2.044 409 L HA 0.176 4.516 4.340 -0.001 0.000 0.205 409 L C 2.672 179.308 176.870 -0.389 0.000 1.075 409 L CA 2.884 57.097 54.840 -1.045 0.000 0.747 409 L CB -1.382 39.850 42.059 -1.379 0.000 0.903 409 L HN 0.034 nan 8.230 nan 0.000 0.435 410 G N -0.476 108.121 108.800 -0.338 0.000 2.446 410 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.217 410 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.217 410 G C 1.469 176.353 174.900 -0.027 0.000 1.168 410 G CA 0.837 45.834 45.100 -0.171 0.000 0.771 410 G HN 0.458 nan 8.290 nan 0.000 0.551 411 N N 0.617 119.362 118.700 0.075 0.000 2.120 411 N HA -0.050 4.690 4.740 -0.001 0.000 0.188 411 N C 2.263 177.905 175.510 0.219 0.000 1.024 411 N CA 0.815 54.035 53.050 0.284 0.000 0.852 411 N CB -0.207 38.536 38.487 0.428 0.000 1.003 411 N HN 0.347 nan 8.380 nan 0.000 0.424 412 I N 1.031 121.690 120.570 0.148 0.000 2.226 412 I HA -0.233 3.936 4.170 -0.001 0.000 0.245 412 I C 2.050 178.221 176.117 0.091 0.000 1.100 412 I CA 0.895 62.268 61.300 0.123 0.000 1.374 412 I CB -0.157 37.977 38.000 0.223 0.000 1.057 412 I HN 0.050 nan 8.210 nan 0.000 0.413 413 I N -0.066 120.557 120.570 0.089 0.000 2.179 413 I HA -0.301 3.869 4.170 -0.001 0.000 0.242 413 I C 2.449 178.675 176.117 0.182 0.000 1.088 413 I CA 1.230 62.613 61.300 0.139 0.000 1.357 413 I CB -0.221 37.831 38.000 0.085 0.000 1.051 413 I HN 0.226 nan 8.210 nan 0.000 0.409 414 M N -0.825 118.787 119.600 0.021 0.000 2.349 414 M HA -0.088 4.392 4.480 -0.001 0.000 0.266 414 M C 0.828 176.891 176.300 -0.395 0.000 1.076 414 M CA 1.631 56.820 55.300 -0.186 0.000 1.126 414 M CB -0.579 31.773 32.600 -0.415 0.000 1.392 414 M HN 0.207 nan 8.290 nan 0.000 0.440 415 Y N -0.914 119.388 120.300 0.003 0.000 2.698 415 Y HA 0.496 5.046 4.550 -0.001 0.000 0.261 415 Y C 1.701 177.363 175.900 -0.397 0.000 1.104 415 Y CA -0.429 57.563 58.100 -0.179 0.000 1.145 415 Y CB -0.855 37.489 38.460 -0.194 0.000 1.191 415 Y HN 0.128 nan 8.280 nan 0.000 0.564 416 A N 0.876 123.518 122.820 -0.296 0.000 1.986 416 A HA -0.160 4.159 4.320 -0.001 0.000 0.220 416 A C -0.503 176.844 177.584 -0.394 0.000 1.171 416 A CA 1.743 53.592 52.037 -0.314 0.000 0.640 416 A CB -1.272 17.588 19.000 -0.233 0.000 0.811 416 A HN 0.286 nan 8.150 nan 0.000 0.451 417 P HA 0.017 nan 4.420 nan 0.000 0.233 417 P C 0.753 177.852 177.300 -0.334 0.000 1.167 417 P CA 1.192 64.062 63.100 -0.383 0.000 0.770 417 P CB -0.299 31.197 31.700 -0.339 0.000 0.837 418 T N -2.534 111.834 114.554 -0.310 0.000 2.813 418 T HA 0.090 4.439 4.350 -0.001 0.000 0.297 418 T C 1.099 175.446 174.700 -0.588 0.000 1.036 418 T CA -0.587 61.295 62.100 -0.363 0.000 1.044 418 T CB 0.477 68.943 68.868 -0.671 0.000 0.993 418 T HN -0.173 nan 8.240 nan 0.000 0.535 419 L N 1.490 122.273 121.223 -0.734 0.000 2.027 419 L HA 0.095 4.435 4.340 -0.001 0.000 0.206 419 L C 2.438 179.004 176.870 -0.506 0.000 1.074 419 L CA 1.454 55.797 54.840 -0.827 0.000 0.745 419 L CB -1.006 40.423 42.059 -1.050 0.000 0.898 419 L HN 0.916 nan 8.230 nan 0.000 0.433 420 W N -0.405 120.698 121.300 -0.328 0.000 2.388 420 W HA 0.019 4.679 4.660 -0.001 0.000 0.294 420 W C 2.007 178.400 176.519 -0.210 0.000 1.212 420 W CA 0.875 58.064 57.345 -0.261 0.000 1.271 420 W CB -1.478 27.867 29.460 -0.191 0.000 1.126 420 W HN 0.318 nan 8.180 nan 0.000 0.535 421 A N 1.986 124.301 122.820 -0.843 0.000 1.902 421 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 421 A C 2.264 179.694 177.584 -0.257 0.000 1.181 421 A CA 2.044 53.737 52.037 -0.575 0.000 0.623 421 A CB -0.783 17.690 19.000 -0.877 0.000 0.818 421 A HN 0.334 nan 8.150 nan 0.000 0.443 422 R N -1.306 118.980 120.500 -0.358 0.000 2.057 422 R HA 0.019 4.358 4.340 -0.001 0.000 0.229 422 R C 2.411 178.582 176.300 -0.215 0.000 1.136 422 R CA 1.484 57.426 56.100 -0.264 0.000 0.952 422 R CB -0.457 29.565 30.300 -0.463 0.000 0.848 422 R HN 0.623 nan 8.270 nan 0.000 0.430 423 M N 0.497 119.794 119.600 -0.505 0.000 2.117 423 M HA -0.152 4.327 4.480 -0.001 0.000 0.262 423 M C 1.578 177.682 176.300 -0.327 0.000 1.065 423 M CA 1.890 56.913 55.300 -0.462 0.000 1.114 423 M CB 0.157 32.461 32.600 -0.493 0.000 1.361 423 M HN 0.129 nan 8.290 nan 0.000 0.408 424 I N -1.281 118.991 120.570 -0.497 0.000 3.132 424 I HA -0.097 4.072 4.170 -0.001 0.000 0.255 424 I C 2.039 177.970 176.117 -0.311 0.000 1.118 424 I CA 0.086 60.839 61.300 -0.912 0.000 1.463 424 I CB -0.360 37.114 38.000 -0.878 0.000 1.356 424 I HN 0.178 nan 8.210 nan 0.000 0.463 425 L N 0.451 121.691 121.223 0.028 0.000 1.989 425 L HA -0.249 4.091 4.340 -0.001 0.000 0.211 425 L C 2.713 179.890 176.870 0.512 0.000 1.071 425 L CA 1.834 56.904 54.840 0.383 0.000 0.749 425 L CB -0.469 41.848 42.059 0.429 0.000 0.890 425 L HN 0.301 nan 8.230 nan 0.000 0.431 426 M N -0.995 118.858 119.600 0.422 0.000 2.086 426 M HA -0.190 4.290 4.480 -0.001 0.000 0.261 426 M C 2.320 179.099 176.300 0.799 0.000 1.067 426 M CA 2.130 57.780 55.300 0.583 0.000 1.116 426 M CB -0.565 32.205 32.600 0.283 0.000 1.348 426 M HN 0.271 nan 8.290 nan 0.000 0.407 427 T N -1.426 113.560 114.554 0.721 0.000 2.708 427 T HA -0.214 4.135 4.350 -0.001 0.000 0.266 427 T C 1.608 176.567 174.700 0.432 0.000 1.037 427 T CA 1.836 64.300 62.100 0.607 0.000 1.146 427 T CB -0.511 68.737 68.868 0.634 0.000 0.865 427 T HN 0.466 nan 8.240 nan 0.000 0.435 428 H N 0.481 119.685 119.070 0.224 0.000 2.276 428 H HA 0.005 4.561 4.556 -0.001 0.000 0.301 428 H C 1.776 176.965 175.328 -0.232 0.000 1.073 428 H CA 1.575 57.630 56.048 0.013 0.000 1.311 428 H CB -0.554 29.078 29.762 -0.217 0.000 1.379 428 H HN 0.322 nan 8.280 nan 0.000 0.494 429 F N -0.935 118.951 119.950 -0.107 0.000 2.234 429 F HA -0.055 4.472 4.527 -0.001 0.000 0.299 429 F C 2.022 177.617 175.800 -0.342 0.000 1.087 429 F CA 0.680 58.361 58.000 -0.531 0.000 1.340 429 F CB -0.545 37.731 39.000 -1.208 0.000 1.031 429 F HN 0.165 nan 8.300 nan 0.000 0.500 430 F N -0.527 119.471 119.950 0.080 0.000 2.206 430 F HA -0.167 4.360 4.527 -0.001 0.000 0.298 430 F C 2.743 178.548 175.800 0.009 0.000 1.090 430 F CA 1.447 59.524 58.000 0.128 0.000 1.323 430 F CB -0.881 38.308 39.000 0.315 0.000 1.028 430 F HN -0.092 nan 8.300 nan 0.000 0.492 431 S N 0.502 116.263 115.700 0.102 0.000 2.359 431 S HA -0.211 4.259 4.470 -0.001 0.000 0.224 431 S C 2.144 176.694 174.600 -0.084 0.000 1.035 431 S CA 1.685 59.877 58.200 -0.013 0.000 1.018 431 S CB -0.513 62.662 63.200 -0.041 0.000 0.876 431 S HN 0.340 nan 8.310 nan 0.000 0.448 432 I N 1.235 121.688 120.570 -0.196 0.000 2.179 432 I HA -0.172 3.997 4.170 -0.001 0.000 0.242 432 I C 2.304 178.359 176.117 -0.104 0.000 1.088 432 I CA 1.172 62.354 61.300 -0.197 0.000 1.357 432 I CB -0.428 37.381 38.000 -0.318 0.000 1.051 432 I HN 0.312 nan 8.210 nan 0.000 0.409 433 L N 0.191 121.348 121.223 -0.110 0.000 2.129 433 L HA -0.253 4.087 4.340 -0.001 0.000 0.212 433 L C 2.539 179.401 176.870 -0.014 0.000 1.087 433 L CA 1.368 56.167 54.840 -0.069 0.000 0.757 433 L CB -0.517 41.446 42.059 -0.160 0.000 0.896 433 L HN 0.314 nan 8.230 nan 0.000 0.434 434 L N -0.612 120.615 121.223 0.006 0.000 2.044 434 L HA -0.146 4.193 4.340 -0.001 0.000 0.205 434 L C 2.837 179.711 176.870 0.007 0.000 1.075 434 L CA 1.166 56.023 54.840 0.030 0.000 0.747 434 L CB -0.568 41.518 42.059 0.044 0.000 0.903 434 L HN 0.202 nan 8.230 nan 0.000 0.435 435 A N -0.975 121.837 122.820 -0.013 0.000 1.972 435 A HA -0.181 4.139 4.320 -0.001 0.000 0.219 435 A C 2.049 179.630 177.584 -0.005 0.000 1.169 435 A CA 1.276 53.303 52.037 -0.016 0.000 0.635 435 A CB -0.201 18.778 19.000 -0.034 0.000 0.810 435 A HN 0.422 nan 8.150 nan 0.000 0.446 436 Q N -0.859 118.940 119.800 -0.001 0.000 2.319 436 Q HA 0.105 4.445 4.340 -0.001 0.000 0.202 436 Q C -0.536 175.477 176.000 0.022 0.000 0.896 436 Q CA 0.343 56.155 55.803 0.015 0.000 0.942 436 Q CB 0.108 28.862 28.738 0.028 0.000 1.083 436 Q HN 0.781 nan 8.270 nan 0.000 0.510 437 E N 0.905 121.117 120.200 0.021 0.000 2.297 437 E HA -0.233 4.116 4.350 -0.001 0.000 0.228 437 E C -0.481 176.140 176.600 0.035 0.000 1.213 437 E CA 0.282 56.699 56.400 0.029 0.000 0.712 437 E CB -1.156 28.560 29.700 0.026 0.000 1.202 437 E HN 0.430 nan 8.360 nan 0.000 0.376 438 Q N -0.190 119.632 119.800 0.035 0.000 2.211 438 Q HA 0.229 4.569 4.340 -0.001 0.000 0.301 438 Q C 1.371 177.397 176.000 0.043 0.000 0.884 438 Q CA -0.258 55.573 55.803 0.046 0.000 1.115 438 Q CB 0.504 29.278 28.738 0.060 0.000 1.217 438 Q HN 0.392 nan 8.270 nan 0.000 0.451 439 L N 1.200 122.450 121.223 0.044 0.000 2.093 439 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 439 L C 2.154 179.067 176.870 0.071 0.000 1.085 439 L CA 1.119 55.991 54.840 0.053 0.000 0.755 439 L CB -0.017 42.100 42.059 0.097 0.000 0.904 439 L HN 0.375 nan 8.230 nan 0.000 0.435 440 E N 0.946 121.187 120.200 0.069 0.000 2.403 440 E HA -0.058 4.291 4.350 -0.001 0.000 0.188 440 E C 0.287 176.925 176.600 0.064 0.000 1.056 440 E CA -0.042 56.399 56.400 0.069 0.000 0.892 440 E CB -0.148 29.589 29.700 0.061 0.000 1.049 440 E HN 0.243 nan 8.360 nan 0.000 0.465 441 K N 1.507 121.947 120.400 0.066 0.000 2.262 441 K HA 0.412 4.732 4.320 -0.001 0.000 0.282 441 K C -0.444 176.199 176.600 0.072 0.000 1.066 441 K CA -0.304 56.023 56.287 0.067 0.000 0.901 441 K CB 0.760 33.303 32.500 0.070 0.000 1.089 441 K HN 0.093 nan 8.250 nan 0.000 0.476 442 A N 5.260 128.121 122.820 0.067 0.000 2.511 442 A HA 0.244 4.564 4.320 -0.001 0.000 0.242 442 A C -0.446 177.173 177.584 0.057 0.000 1.069 442 A CA 0.041 52.117 52.037 0.066 0.000 0.763 442 A CB 0.073 19.116 19.000 0.072 0.000 1.001 442 A HN 0.787 nan 8.150 nan 0.000 0.498 443 L N 1.925 123.168 121.223 0.034 0.000 2.354 443 L HA 0.413 4.753 4.340 -0.001 0.000 0.264 443 L C -0.778 176.071 176.870 -0.034 0.000 1.008 443 L CA -1.019 53.821 54.840 0.001 0.000 0.819 443 L CB 2.126 44.172 42.059 -0.022 0.000 1.339 443 L HN 0.606 nan 8.230 nan 0.000 0.420 444 D N 1.162 121.533 120.400 -0.047 0.000 2.210 444 D HA 0.511 5.151 4.640 -0.001 0.000 0.249 444 D C -0.528 175.699 176.300 -0.122 0.000 1.078 444 D CA -0.049 53.923 54.000 -0.047 0.000 0.875 444 D CB 1.921 42.702 40.800 -0.033 0.000 1.175 444 D HN 0.608 nan 8.370 nan 0.000 0.440 445 C N 0.173 119.402 119.300 -0.118 0.000 3.323 445 C HA 0.662 5.121 4.460 -0.001 0.000 0.324 445 C C -1.087 173.843 174.990 -0.101 0.000 1.428 445 C CA -0.845 58.072 59.018 -0.167 0.000 1.368 445 C CB 1.589 29.172 27.740 -0.261 0.000 1.731 445 C HN 0.527 nan 8.230 nan 0.000 0.455 446 Q N 0.354 120.093 119.800 -0.102 0.000 2.377 446 Q HA 0.767 5.106 4.340 -0.001 0.000 0.271 446 Q C -1.373 174.580 176.000 -0.078 0.000 1.077 446 Q CA -0.507 55.271 55.803 -0.043 0.000 0.820 446 Q CB 2.568 31.291 28.738 -0.025 0.000 1.347 446 Q HN 0.729 nan 8.270 nan 0.000 0.444 447 I N 2.674 123.219 120.570 -0.042 0.000 2.503 447 I HA 0.175 4.344 4.170 -0.001 0.000 0.282 447 I C -1.188 174.958 176.117 0.049 0.000 1.059 447 I CA -0.730 60.456 61.300 -0.189 0.000 1.081 447 I CB 1.020 38.604 38.000 -0.694 0.000 1.210 447 I HN 0.666 nan 8.210 nan 0.000 0.450 448 Y N 4.739 125.098 120.300 0.100 0.000 3.589 448 Y HA -0.250 4.300 4.550 -0.001 0.000 0.218 448 Y C 1.462 177.333 175.900 -0.049 0.000 1.234 448 Y CA 1.136 59.270 58.100 0.055 0.000 1.576 448 Y CB -1.981 36.512 38.460 0.055 0.000 1.487 448 Y HN 0.970 nan 8.280 nan 0.000 0.616 449 G N -2.108 106.781 108.800 0.148 0.000 2.253 449 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.251 449 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.251 449 G C 0.468 175.393 174.900 0.042 0.000 0.998 449 G CA 0.240 45.383 45.100 0.073 0.000 0.621 449 G HN 1.581 nan 8.290 nan 0.000 0.524 450 A N -0.538 122.312 122.820 0.050 0.000 2.316 450 A HA 0.649 4.969 4.320 -0.001 0.000 0.284 450 A C 0.663 178.068 177.584 -0.298 0.000 1.115 450 A CA 0.430 52.331 52.037 -0.227 0.000 0.812 450 A CB 0.981 19.718 19.000 -0.439 0.000 1.064 450 A HN 1.568 nan 8.150 nan 0.000 0.489 451 C N 2.342 121.383 119.300 -0.433 0.000 2.369 451 C HA 0.762 5.221 4.460 -0.001 0.000 0.358 451 C C -1.000 173.647 174.990 -0.572 0.000 1.274 451 C CA -0.474 58.385 59.018 -0.265 0.000 1.935 451 C CB -1.401 26.330 27.740 -0.016 0.000 2.431 451 C HN 0.645 nan 8.230 nan 0.000 0.545 452 Y N 3.053 123.181 120.300 -0.285 0.000 2.462 452 Y HA 0.446 4.995 4.550 -0.001 0.000 0.346 452 Y C 0.377 176.176 175.900 -0.169 0.000 0.976 452 Y CA -0.438 57.450 58.100 -0.353 0.000 1.044 452 Y CB 1.809 39.963 38.460 -0.509 0.000 1.230 452 Y HN 0.603 nan 8.280 nan 0.000 0.455 453 S N 3.681 119.412 115.700 0.052 0.000 2.452 453 S HA 0.717 5.187 4.470 -0.001 0.000 0.284 453 S C -0.884 173.770 174.600 0.089 0.000 1.171 453 S CA -0.214 58.049 58.200 0.105 0.000 1.064 453 S CB -0.249 63.055 63.200 0.173 0.000 0.967 453 S HN 0.543 nan 8.310 nan 0.000 0.484 454 I N 3.587 124.190 120.570 0.055 0.000 2.686 454 I HA 0.360 4.530 4.170 -0.001 0.000 0.295 454 I C -0.489 175.664 176.117 0.059 0.000 1.114 454 I CA -0.597 60.743 61.300 0.068 0.000 1.038 454 I CB 2.415 40.441 38.000 0.043 0.000 1.238 454 I HN 0.577 nan 8.210 nan 0.000 0.420 455 E N 6.474 126.725 120.200 0.085 0.000 2.146 455 E HA 0.218 4.568 4.350 -0.001 0.000 0.282 455 E C -1.868 174.799 176.600 0.112 0.000 0.989 455 E CA -1.578 54.875 56.400 0.088 0.000 0.799 455 E CB 1.335 31.086 29.700 0.086 0.000 1.088 455 E HN 0.294 nan 8.360 nan 0.000 0.397 456 P HA -0.222 nan 4.420 nan 0.000 0.217 456 P C 0.944 178.412 177.300 0.281 0.000 1.151 456 P CA 1.216 64.420 63.100 0.173 0.000 0.849 456 P CB 0.212 31.946 31.700 0.058 0.000 0.787 457 L N -1.003 120.349 121.223 0.214 0.000 2.275 457 L HA -0.132 4.208 4.340 -0.001 0.000 0.215 457 L C 1.271 178.236 176.870 0.159 0.000 1.119 457 L CA 1.185 56.155 54.840 0.215 0.000 0.790 457 L CB -0.697 41.451 42.059 0.149 0.000 0.919 457 L HN -0.005 nan 8.230 nan 0.000 0.443 458 D N -0.426 120.056 120.400 0.136 0.000 2.339 458 D HA 0.016 4.655 4.640 -0.001 0.000 0.217 458 D C 2.260 178.625 176.300 0.108 0.000 1.050 458 D CA 0.233 54.287 54.000 0.090 0.000 0.856 458 D CB 0.278 41.119 40.800 0.068 0.000 0.922 458 D HN 0.269 nan 8.370 nan 0.000 0.518 459 L N 1.005 122.336 121.223 0.180 0.000 2.021 459 L HA -0.186 4.154 4.340 -0.001 0.000 0.215 459 L C -0.441 176.537 176.870 0.181 0.000 1.074 459 L CA 1.775 56.740 54.840 0.208 0.000 0.760 459 L CB -1.388 40.863 42.059 0.320 0.000 0.889 459 L HN 0.065 nan 8.230 nan 0.000 0.433 460 P HA -0.201 nan 4.420 nan 0.000 0.215 460 P C 1.381 178.737 177.300 0.095 0.000 1.157 460 P CA 1.370 64.513 63.100 0.072 0.000 0.868 460 P CB -0.023 31.559 31.700 -0.197 0.000 0.788 461 Q N -0.805 118.990 119.800 -0.008 0.000 2.079 461 Q HA -0.105 4.234 4.340 -0.001 0.000 0.200 461 Q C 2.238 178.224 176.000 -0.022 0.000 0.974 461 Q CA 1.181 56.962 55.803 -0.037 0.000 0.840 461 Q CB -0.732 27.968 28.738 -0.062 0.000 0.898 461 Q HN 0.287 nan 8.270 nan 0.000 0.430 462 I N 0.722 121.287 120.570 -0.009 0.000 2.226 462 I HA -0.274 3.896 4.170 -0.001 0.000 0.245 462 I C 2.239 178.352 176.117 -0.005 0.000 1.100 462 I CA 1.196 62.459 61.300 -0.061 0.000 1.374 462 I CB -0.229 37.780 38.000 0.015 0.000 1.057 462 I HN 0.193 nan 8.210 nan 0.000 0.413 463 I N 0.426 121.064 120.570 0.113 0.000 2.252 463 I HA -0.280 3.889 4.170 -0.001 0.000 0.245 463 I C 2.621 178.746 176.117 0.013 0.000 1.102 463 I CA 1.312 62.694 61.300 0.136 0.000 1.385 463 I CB -0.401 37.700 38.000 0.169 0.000 1.064 463 I HN 0.295 nan 8.210 nan 0.000 0.414 464 E N 1.201 121.439 120.200 0.063 0.000 2.058 464 E HA -0.243 4.106 4.350 -0.001 0.000 0.194 464 E C 2.373 178.952 176.600 -0.034 0.000 0.997 464 E CA 1.136 57.557 56.400 0.035 0.000 0.801 464 E CB 0.104 29.875 29.700 0.119 0.000 0.746 464 E HN 0.288 nan 8.360 nan 0.000 0.450 465 R N 0.085 120.546 120.500 -0.065 0.000 2.120 465 R HA -0.085 4.254 4.340 -0.001 0.000 0.234 465 R C 2.425 178.645 176.300 -0.134 0.000 1.123 465 R CA 0.846 56.882 56.100 -0.107 0.000 0.975 465 R CB -0.370 29.831 30.300 -0.165 0.000 0.866 465 R HN 0.365 nan 8.270 nan 0.000 0.446 466 L N -1.060 120.051 121.223 -0.187 0.000 2.221 466 L HA -0.001 4.339 4.340 -0.001 0.000 0.202 466 L C 1.999 178.600 176.870 -0.448 0.000 1.074 466 L CA 0.842 55.491 54.840 -0.318 0.000 0.795 466 L CB -0.306 41.498 42.059 -0.425 0.000 0.960 466 L HN 0.211 nan 8.230 nan 0.000 0.458 467 H N -0.523 118.497 119.070 -0.084 0.000 2.681 467 H HA 0.317 4.872 4.556 -0.001 0.000 0.268 467 H C 0.887 176.140 175.328 -0.125 0.000 0.967 467 H CA 0.853 56.834 56.048 -0.112 0.000 1.233 467 H CB 0.956 30.620 29.762 -0.162 0.000 1.445 467 H HN 0.266 nan 8.280 nan 0.000 0.494 468 G N 0.911 109.688 108.800 -0.039 0.000 2.692 468 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.686 468 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.686 468 G C 0.668 175.512 174.900 -0.093 0.000 1.243 468 G CA -0.172 44.904 45.100 -0.040 0.000 0.782 468 G HN 0.217 nan 8.290 nan 0.000 0.625 469 L N 1.071 122.303 121.223 0.015 0.000 2.197 469 L HA -0.217 4.122 4.340 -0.001 0.000 0.215 469 L C 3.210 180.094 176.870 0.025 0.000 1.095 469 L CA 2.403 57.316 54.840 0.122 0.000 0.764 469 L CB -0.568 41.626 42.059 0.225 0.000 0.897 469 L HN 0.955 nan 8.230 nan 0.000 0.436 470 S N -0.067 115.611 115.700 -0.036 0.000 2.419 470 S HA -0.214 4.255 4.470 -0.001 0.000 0.235 470 S C 2.149 176.667 174.600 -0.138 0.000 1.019 470 S CA 0.887 59.052 58.200 -0.059 0.000 0.982 470 S CB -0.470 62.688 63.200 -0.071 0.000 0.789 470 S HN 0.414 nan 8.310 nan 0.000 0.490 471 A N 0.890 123.546 122.820 -0.274 0.000 2.024 471 A HA 0.101 4.421 4.320 -0.001 0.000 0.220 471 A C 1.562 178.955 177.584 -0.318 0.000 1.164 471 A CA 1.170 52.968 52.037 -0.399 0.000 0.643 471 A CB -0.853 17.801 19.000 -0.576 0.000 0.806 471 A HN 0.583 nan 8.150 nan 0.000 0.451 472 F N -0.052 119.923 119.950 0.041 0.000 2.765 472 F HA 0.140 4.666 4.527 -0.001 0.000 0.302 472 F C 1.704 177.556 175.800 0.086 0.000 1.111 472 F CA 0.477 58.527 58.000 0.082 0.000 1.359 472 F CB 0.044 39.124 39.000 0.133 0.000 1.097 472 F HN 0.264 nan 8.300 nan 0.000 0.577 473 S N -1.488 114.312 115.700 0.167 0.000 3.053 473 S HA 0.309 4.779 4.470 -0.001 0.000 0.255 473 S C -0.089 174.565 174.600 0.089 0.000 0.976 473 S CA -0.408 57.883 58.200 0.151 0.000 1.159 473 S CB -0.693 62.587 63.200 0.134 0.000 1.110 473 S HN 0.031 nan 8.310 nan 0.000 0.633 474 L N 3.299 124.499 121.223 -0.039 0.000 2.426 474 L HA 0.511 4.850 4.340 -0.001 0.000 0.271 474 L C 0.513 177.283 176.870 -0.166 0.000 1.169 474 L CA -0.021 54.673 54.840 -0.243 0.000 0.836 474 L CB 0.118 41.889 42.059 -0.479 0.000 1.112 474 L HN 0.672 nan 8.230 nan 0.000 0.465 475 H N -1.382 117.498 119.070 -0.317 0.000 2.960 475 H HA 0.377 4.932 4.556 -0.001 0.000 0.323 475 H C -0.470 174.743 175.328 -0.192 0.000 1.326 475 H CA -0.956 54.991 56.048 -0.169 0.000 1.124 475 H CB 1.070 30.826 29.762 -0.011 0.000 1.853 475 H HN 0.413 nan 8.280 nan 0.000 0.536 476 S N -0.014 115.772 115.700 0.143 0.000 3.527 476 S HA -0.220 4.249 4.470 -0.001 0.000 0.409 476 S C -0.596 174.038 174.600 0.057 0.000 0.900 476 S CA 0.498 58.770 58.200 0.120 0.000 1.320 476 S CB -2.350 60.872 63.200 0.036 0.000 0.915 476 S HN 0.529 nan 8.310 nan 0.000 0.575 477 Y N 1.520 121.857 120.300 0.062 0.000 2.240 477 Y HA 0.390 4.940 4.550 -0.001 0.000 0.341 477 Y C 1.463 177.419 175.900 0.094 0.000 1.326 477 Y CA 0.055 58.194 58.100 0.065 0.000 1.569 477 Y CB 0.260 38.751 38.460 0.052 0.000 1.426 477 Y HN 0.568 nan 8.280 nan 0.000 0.587 478 S N 0.320 116.185 115.700 0.275 0.000 2.592 478 S HA 0.182 4.651 4.470 -0.001 0.000 0.271 478 S C -2.127 172.560 174.600 0.145 0.000 1.326 478 S CA -1.073 57.228 58.200 0.169 0.000 1.024 478 S CB 1.313 64.590 63.200 0.128 0.000 0.921 478 S HN 0.379 nan 8.310 nan 0.000 0.527 479 P HA 0.004 nan 4.420 nan 0.000 0.215 479 P C 1.759 179.099 177.300 0.067 0.000 1.153 479 P CA 1.640 64.788 63.100 0.079 0.000 0.853 479 P CB -0.429 31.307 31.700 0.061 0.000 0.788 480 G N -0.067 108.769 108.800 0.061 0.000 2.446 480 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.217 480 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.217 480 G C 1.677 176.605 174.900 0.048 0.000 1.168 480 G CA 1.014 46.141 45.100 0.044 0.000 0.771 480 G HN 0.253 nan 8.290 nan 0.000 0.551 481 E N 0.654 120.902 120.200 0.079 0.000 2.047 481 E HA -0.050 4.300 4.350 -0.001 0.000 0.191 481 E C 2.463 179.104 176.600 0.067 0.000 0.987 481 E CA 0.782 57.239 56.400 0.095 0.000 0.799 481 E CB -0.413 29.403 29.700 0.194 0.000 0.752 481 E HN 0.506 nan 8.360 nan 0.000 0.449 482 I N 0.863 121.480 120.570 0.078 0.000 2.163 482 I HA -0.311 3.858 4.170 -0.001 0.000 0.243 482 I C 2.020 178.156 176.117 0.032 0.000 1.085 482 I CA 1.211 62.541 61.300 0.049 0.000 1.347 482 I CB -0.419 37.625 38.000 0.074 0.000 1.044 482 I HN 0.175 nan 8.210 nan 0.000 0.408 483 N N 0.620 119.341 118.700 0.034 0.000 2.142 483 N HA -0.189 4.551 4.740 -0.001 0.000 0.186 483 N C 1.923 177.438 175.510 0.008 0.000 1.023 483 N CA 1.093 54.156 53.050 0.023 0.000 0.852 483 N CB -0.398 38.103 38.487 0.024 0.000 0.998 483 N HN 0.342 nan 8.380 nan 0.000 0.424 484 R N 0.980 121.481 120.500 0.001 0.000 2.081 484 R HA -0.055 4.285 4.340 -0.001 0.000 0.235 484 R C 1.939 178.213 176.300 -0.044 0.000 1.131 484 R CA 1.021 57.106 56.100 -0.025 0.000 0.960 484 R CB -0.125 30.153 30.300 -0.036 0.000 0.856 484 R HN -0.038 nan 8.270 nan 0.000 0.436 485 V N 0.858 120.753 119.914 -0.031 0.000 2.307 485 V HA -0.193 3.927 4.120 -0.001 0.000 0.245 485 V C 2.467 178.551 176.094 -0.017 0.000 1.045 485 V CA 1.888 64.165 62.300 -0.039 0.000 1.024 485 V CB -0.709 31.112 31.823 -0.003 0.000 0.651 485 V HN 0.564 nan 8.190 nan 0.000 0.449 486 A N -0.224 122.598 122.820 0.003 0.000 1.908 486 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 486 A C 2.473 180.066 177.584 0.015 0.000 1.181 486 A CA 2.435 54.483 52.037 0.019 0.000 0.627 486 A CB -0.738 18.278 19.000 0.026 0.000 0.818 486 A HN 0.531 nan 8.150 nan 0.000 0.445 487 S N -1.130 114.573 115.700 0.005 0.000 2.356 487 S HA -0.219 4.250 4.470 -0.001 0.000 0.223 487 S C 2.083 176.685 174.600 0.003 0.000 1.032 487 S CA 1.256 59.460 58.200 0.007 0.000 1.005 487 S CB -1.009 62.191 63.200 0.001 0.000 0.867 487 S HN 0.831 nan 8.310 nan 0.000 0.449 488 C N 2.315 121.603 119.300 -0.020 0.000 2.413 488 C HA -0.007 4.452 4.460 -0.001 0.000 0.276 488 C C 2.439 177.423 174.990 -0.010 0.000 1.248 488 C CA 0.560 59.560 59.018 -0.030 0.000 1.742 488 C CB -1.662 26.025 27.740 -0.087 0.000 2.017 488 C HN 0.569 nan 8.230 nan 0.000 0.481 489 L N 0.236 121.458 121.223 -0.001 0.000 2.046 489 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 489 L C 3.087 179.957 176.870 -0.000 0.000 1.077 489 L CA 1.824 56.675 54.840 0.019 0.000 0.747 489 L CB -0.837 41.256 42.059 0.057 0.000 0.896 489 L HN 0.380 nan 8.230 nan 0.000 0.432 490 R N 0.189 120.698 120.500 0.015 0.000 2.075 490 R HA -0.173 4.166 4.340 -0.001 0.000 0.232 490 R C 2.366 178.701 176.300 0.058 0.000 1.126 490 R CA 1.300 57.416 56.100 0.026 0.000 0.963 490 R CB -0.202 30.125 30.300 0.045 0.000 0.858 490 R HN 0.260 nan 8.270 nan 0.000 0.435 491 K N 1.054 121.495 120.400 0.068 0.000 2.020 491 K HA -0.153 4.166 4.320 -0.001 0.000 0.212 491 K C 1.844 178.558 176.600 0.191 0.000 1.050 491 K CA 1.446 57.808 56.287 0.126 0.000 0.929 491 K CB -0.065 32.480 32.500 0.075 0.000 0.714 491 K HN 0.130 nan 8.250 nan 0.000 0.443 492 L N -0.560 120.689 121.223 0.045 0.000 2.418 492 L HA 0.126 4.465 4.340 -0.001 0.000 0.218 492 L C 0.859 177.521 176.870 -0.346 0.000 1.125 492 L CA 0.425 55.261 54.840 -0.005 0.000 0.835 492 L CB 0.090 42.162 42.059 0.021 0.000 0.953 492 L HN 0.608 nan 8.230 nan 0.000 0.454 493 G N 1.020 109.499 108.800 -0.536 0.000 2.303 493 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.260 493 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.260 493 G C -0.279 174.466 174.900 -0.258 0.000 1.106 493 G CA -0.157 44.506 45.100 -0.728 0.000 0.900 493 G HN 0.054 nan 8.290 nan 0.000 0.495 494 V N 0.784 120.643 119.914 -0.091 0.000 2.427 494 V HA 0.468 4.588 4.120 -0.001 0.000 0.286 494 V C -1.185 174.971 176.094 0.103 0.000 1.034 494 V CA -1.730 60.611 62.300 0.067 0.000 0.893 494 V CB 1.656 33.567 31.823 0.147 0.000 0.982 494 V HN 0.244 nan 8.190 nan 0.000 0.452 495 P HA 0.068 nan 4.420 nan 0.000 0.267 495 P C -2.436 174.919 177.300 0.092 0.000 1.195 495 P CA -0.425 62.640 63.100 -0.057 0.000 0.773 495 P CB -0.131 31.333 31.700 -0.394 0.000 0.837 496 P HA 0.031 nan 4.420 nan 0.000 0.276 496 P C 0.730 178.153 177.300 0.206 0.000 1.261 496 P CA -0.435 62.738 63.100 0.123 0.000 0.800 496 P CB 0.663 32.397 31.700 0.056 0.000 1.066 497 L N 2.462 123.832 121.223 0.244 0.000 2.021 497 L HA -0.248 4.092 4.340 -0.001 0.000 0.215 497 L C 2.758 179.785 176.870 0.263 0.000 1.074 497 L CA 2.218 57.231 54.840 0.289 0.000 0.760 497 L CB -1.214 40.956 42.059 0.185 0.000 0.889 497 L HN 0.391 nan 8.230 nan 0.000 0.433 498 R N -1.135 119.459 120.500 0.158 0.000 2.117 498 R HA -0.154 4.186 4.340 -0.001 0.000 0.243 498 R C 1.898 178.260 176.300 0.102 0.000 1.143 498 R CA 1.915 58.087 56.100 0.122 0.000 0.968 498 R CB -1.632 28.701 30.300 0.054 0.000 0.863 498 R HN 0.402 nan 8.270 nan 0.000 0.444 499 V N 0.608 120.530 119.914 0.013 0.000 2.270 499 V HA -0.199 3.921 4.120 -0.001 0.000 0.245 499 V C 2.174 178.238 176.094 -0.050 0.000 1.043 499 V CA 1.938 64.171 62.300 -0.112 0.000 1.014 499 V CB -0.776 30.846 31.823 -0.336 0.000 0.645 499 V HN 0.366 nan 8.190 nan 0.000 0.447 500 W N 0.186 121.589 121.300 0.171 0.000 2.338 500 W HA -0.150 4.509 4.660 -0.001 0.000 0.304 500 W C 2.768 179.479 176.519 0.319 0.000 1.212 500 W CA 1.656 59.142 57.345 0.236 0.000 1.264 500 W CB -0.329 29.279 29.460 0.246 0.000 1.142 500 W HN 0.056 nan 8.180 nan 0.000 0.512 501 R N -0.178 120.654 120.500 0.553 0.000 2.083 501 R HA -0.245 4.095 4.340 -0.001 0.000 0.237 501 R C 2.049 178.458 176.300 0.182 0.000 1.137 501 R CA 2.220 58.577 56.100 0.430 0.000 0.951 501 R CB -0.813 29.720 30.300 0.388 0.000 0.851 501 R HN 0.249 nan 8.270 nan 0.000 0.434 502 H N 0.384 119.505 119.070 0.085 0.000 2.290 502 H HA -0.064 4.491 4.556 -0.001 0.000 0.298 502 H C 2.098 177.411 175.328 -0.025 0.000 1.087 502 H CA 2.421 58.471 56.048 0.003 0.000 1.291 502 H CB 0.055 29.805 29.762 -0.021 0.000 1.369 502 H HN 0.173 nan 8.280 nan 0.000 0.492 503 R N -0.221 120.301 120.500 0.036 0.000 2.120 503 R HA -0.054 4.285 4.340 -0.001 0.000 0.234 503 R C 2.534 178.772 176.300 -0.102 0.000 1.123 503 R CA 0.915 56.995 56.100 -0.033 0.000 0.975 503 R CB -0.257 30.076 30.300 0.054 0.000 0.866 503 R HN 0.374 nan 8.270 nan 0.000 0.446 504 A N 1.577 124.363 122.820 -0.058 0.000 1.933 504 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 504 A C 2.045 179.368 177.584 -0.434 0.000 1.175 504 A CA 1.076 52.930 52.037 -0.304 0.000 0.628 504 A CB -0.306 18.540 19.000 -0.256 0.000 0.814 504 A HN 0.208 nan 8.150 nan 0.000 0.444 505 R N -0.463 119.844 120.500 -0.322 0.000 2.081 505 R HA -0.112 4.228 4.340 -0.001 0.000 0.235 505 R C 2.578 178.711 176.300 -0.278 0.000 1.131 505 R CA 1.483 57.408 56.100 -0.293 0.000 0.960 505 R CB -0.668 29.483 30.300 -0.248 0.000 0.856 505 R HN 0.566 nan 8.270 nan 0.000 0.436 506 S N 0.651 116.179 115.700 -0.286 0.000 2.348 506 S HA -0.105 4.365 4.470 -0.001 0.000 0.221 506 S C 2.124 176.595 174.600 -0.214 0.000 1.033 506 S CA 1.350 59.413 58.200 -0.229 0.000 1.010 506 S CB -0.147 62.925 63.200 -0.212 0.000 0.891 506 S HN 0.118 nan 8.310 nan 0.000 0.442 507 V N 2.552 122.297 119.914 -0.282 0.000 2.343 507 V HA -0.126 3.994 4.120 -0.001 0.000 0.247 507 V C 2.715 178.617 176.094 -0.319 0.000 1.051 507 V CA 2.203 64.321 62.300 -0.303 0.000 1.036 507 V CB -0.862 30.681 31.823 -0.466 0.000 0.654 507 V HN 0.525 nan 8.190 nan 0.000 0.451 508 R N 0.577 120.825 120.500 -0.420 0.000 2.070 508 R HA -0.176 4.164 4.340 -0.001 0.000 0.233 508 R C 2.299 178.519 176.300 -0.134 0.000 1.137 508 R CA 1.866 57.818 56.100 -0.247 0.000 0.945 508 R CB -0.541 29.619 30.300 -0.234 0.000 0.845 508 R HN 0.443 nan 8.270 nan 0.000 0.430 509 A N 0.992 123.726 122.820 -0.145 0.000 1.940 509 A HA -0.168 4.151 4.320 -0.001 0.000 0.219 509 A C 2.201 179.744 177.584 -0.068 0.000 1.176 509 A CA 1.593 53.571 52.037 -0.098 0.000 0.631 509 A CB -0.415 18.522 19.000 -0.105 0.000 0.814 509 A HN 0.410 nan 8.150 nan 0.000 0.446 510 R N -0.727 119.729 120.500 -0.073 0.000 2.090 510 R HA 0.090 4.430 4.340 -0.001 0.000 0.228 510 R C 2.005 178.302 176.300 -0.004 0.000 1.110 510 R CA 1.145 57.222 56.100 -0.038 0.000 0.973 510 R CB -0.392 29.884 30.300 -0.040 0.000 0.869 510 R HN 0.493 nan 8.270 nan 0.000 0.440 511 L N 0.418 121.642 121.223 0.002 0.000 2.056 511 L HA -0.159 4.180 4.340 -0.001 0.000 0.207 511 L C 2.221 179.112 176.870 0.036 0.000 1.078 511 L CA 1.150 56.022 54.840 0.052 0.000 0.749 511 L CB -0.390 41.719 42.059 0.083 0.000 0.901 511 L HN 0.191 nan 8.230 nan 0.000 0.433 512 L N -0.986 120.241 121.223 0.008 0.000 2.012 512 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 512 L C 2.727 179.599 176.870 0.005 0.000 1.073 512 L CA 1.307 56.149 54.840 0.003 0.000 0.748 512 L CB -0.722 41.325 42.059 -0.020 0.000 0.891 512 L HN 0.205 nan 8.230 nan 0.000 0.431 513 S N -0.632 115.067 115.700 -0.002 0.000 2.374 513 S HA -0.311 4.158 4.470 -0.001 0.000 0.227 513 S C 1.918 176.524 174.600 0.011 0.000 1.037 513 S CA 1.610 59.810 58.200 -0.001 0.000 1.024 513 S CB -0.296 62.900 63.200 -0.007 0.000 0.861 513 S HN 0.370 nan 8.310 nan 0.000 0.456 514 Q N 0.679 120.492 119.800 0.022 0.000 2.061 514 Q HA 0.117 4.457 4.340 -0.001 0.000 0.204 514 Q C 1.076 177.095 176.000 0.032 0.000 0.984 514 Q CA 1.278 57.100 55.803 0.033 0.000 0.846 514 Q CB -0.468 28.302 28.738 0.053 0.000 0.902 514 Q HN 0.595 nan 8.270 nan 0.000 0.421 515 G N -2.734 106.086 108.800 0.033 0.000 2.660 515 G HA2 0.118 4.078 3.960 -0.001 0.000 0.247 515 G HA3 0.118 4.078 3.960 -0.001 0.000 0.247 515 G C 0.486 175.410 174.900 0.040 0.000 1.328 515 G CA -0.337 44.782 45.100 0.031 0.000 0.884 515 G HN 1.100 nan 8.290 nan 0.000 0.531 516 G N -0.490 108.330 108.800 0.034 0.000 2.602 516 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.306 516 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.306 516 G C 1.337 176.263 174.900 0.043 0.000 1.301 516 G CA 1.655 46.776 45.100 0.035 0.000 0.974 516 G HN 1.549 nan 8.290 nan 0.000 0.547 517 R N 0.301 120.829 120.500 0.047 0.000 2.127 517 R HA -0.033 4.307 4.340 -0.001 0.000 0.238 517 R C 3.118 179.469 176.300 0.085 0.000 1.134 517 R CA 1.896 58.029 56.100 0.055 0.000 0.975 517 R CB -0.678 29.660 30.300 0.064 0.000 0.865 517 R HN 0.663 nan 8.270 nan 0.000 0.447 518 A N 1.459 124.339 122.820 0.099 0.000 1.933 518 A HA -0.070 4.250 4.320 -0.001 0.000 0.218 518 A C 2.413 180.058 177.584 0.101 0.000 1.175 518 A CA 1.596 53.712 52.037 0.131 0.000 0.628 518 A CB -0.457 18.615 19.000 0.120 0.000 0.814 518 A HN 0.377 nan 8.150 nan 0.000 0.444 519 A N -0.878 121.984 122.820 0.070 0.000 1.898 519 A HA -0.049 4.271 4.320 -0.001 0.000 0.216 519 A C 2.288 179.910 177.584 0.064 0.000 1.181 519 A CA 2.182 54.251 52.037 0.054 0.000 0.620 519 A CB -1.264 17.759 19.000 0.039 0.000 0.819 519 A HN 0.429 nan 8.150 nan 0.000 0.442 520 T N -0.542 114.055 114.554 0.071 0.000 2.720 520 T HA -0.226 4.123 4.350 -0.001 0.000 0.268 520 T C 1.904 176.652 174.700 0.079 0.000 1.037 520 T CA 1.631 63.788 62.100 0.095 0.000 1.144 520 T CB -0.806 68.061 68.868 -0.001 0.000 0.864 520 T HN 0.560 nan 8.240 nan 0.000 0.444 521 C N 1.352 120.673 119.300 0.034 0.000 2.413 521 C HA 0.014 4.474 4.460 -0.001 0.000 0.276 521 C C 3.162 178.127 174.990 -0.040 0.000 1.236 521 C CA 0.621 59.616 59.018 -0.039 0.000 1.735 521 C CB -1.556 26.198 27.740 0.023 0.000 2.031 521 C HN 0.751 nan 8.230 nan 0.000 0.474 522 G N -0.247 108.592 108.800 0.066 0.000 2.422 522 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.218 522 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.218 522 G C 1.664 176.595 174.900 0.052 0.000 1.140 522 G CA 0.989 46.172 45.100 0.139 0.000 0.775 522 G HN 0.646 nan 8.290 nan 0.000 0.545 523 K N -0.874 119.522 120.400 -0.007 0.000 2.031 523 K HA -0.020 4.299 4.320 -0.001 0.000 0.205 523 K C 2.129 178.563 176.600 -0.277 0.000 1.049 523 K CA 0.875 57.087 56.287 -0.124 0.000 0.939 523 K CB -0.193 32.236 32.500 -0.120 0.000 0.717 523 K HN 0.372 nan 8.250 nan 0.000 0.438 524 Y N 0.806 120.900 120.300 -0.344 0.000 2.301 524 Y HA 0.032 4.582 4.550 -0.001 0.000 0.295 524 Y C 2.027 177.587 175.900 -0.566 0.000 1.119 524 Y CA 0.606 58.318 58.100 -0.646 0.000 1.162 524 Y CB -0.137 37.592 38.460 -1.219 0.000 1.046 524 Y HN -0.063 nan 8.280 nan 0.000 0.538 525 L N -1.638 119.371 121.223 -0.356 0.000 2.141 525 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 525 L C 0.767 177.288 176.870 -0.581 0.000 1.094 525 L CA 1.421 55.979 54.840 -0.470 0.000 0.763 525 L CB -0.320 41.194 42.059 -0.909 0.000 0.908 525 L HN 0.195 nan 8.230 nan 0.000 0.437 526 F N -2.111 117.758 119.950 -0.135 0.000 2.724 526 F HA 0.167 4.694 4.527 -0.001 0.000 0.310 526 F C 1.764 177.173 175.800 -0.652 0.000 1.107 526 F CA -0.397 57.295 58.000 -0.514 0.000 1.218 526 F CB -0.613 38.113 39.000 -0.456 0.000 1.042 526 F HN 0.019 nan 8.300 nan 0.000 0.540 527 N N 1.377 119.956 118.700 -0.202 0.000 2.348 527 N HA -0.189 4.550 4.740 -0.001 0.000 0.185 527 N C 1.735 177.187 175.510 -0.097 0.000 1.019 527 N CA 1.614 54.574 53.050 -0.151 0.000 0.880 527 N CB -0.082 38.338 38.487 -0.112 0.000 0.965 527 N HN 0.608 nan 8.380 nan 0.000 0.437 528 W N -0.038 121.307 121.300 0.075 0.000 2.595 528 W HA 0.151 4.810 4.660 -0.001 0.000 0.257 528 W C 1.515 178.091 176.519 0.096 0.000 1.267 528 W CA 0.469 57.866 57.345 0.086 0.000 1.300 528 W CB -0.682 28.843 29.460 0.107 0.000 1.120 528 W HN -0.017 nan 8.180 nan 0.000 0.618 529 A N 1.770 124.203 122.820 -0.644 0.000 1.975 529 A HA 0.108 4.427 4.320 -0.001 0.000 0.215 529 A C 1.284 178.758 177.584 -0.184 0.000 1.170 529 A CA 1.159 52.880 52.037 -0.526 0.000 0.656 529 A CB -1.001 17.451 19.000 -0.914 0.000 0.821 529 A HN 0.084 nan 8.150 nan 0.000 0.449 530 V N -1.062 118.750 119.914 -0.170 0.000 2.732 530 V HA 0.242 4.362 4.120 -0.001 0.000 0.297 530 V C 1.166 177.237 176.094 -0.038 0.000 1.060 530 V CA -0.134 62.108 62.300 -0.096 0.000 1.038 530 V CB 1.064 32.823 31.823 -0.106 0.000 1.003 530 V HN 0.618 nan 8.190 nan 0.000 0.481 531 K N 1.694 122.078 120.400 -0.026 0.000 2.097 531 K HA -0.027 4.292 4.320 -0.001 0.000 0.205 531 K C 0.715 177.303 176.600 -0.019 0.000 1.050 531 K CA 1.410 57.691 56.287 -0.010 0.000 0.938 531 K CB -0.374 32.121 32.500 -0.008 0.000 0.718 531 K HN 0.653 nan 8.250 nan 0.000 0.442 532 T N 2.614 117.149 114.554 -0.031 0.000 3.281 532 T HA 0.245 4.594 4.350 -0.001 0.000 0.359 532 T C -0.838 173.836 174.700 -0.043 0.000 1.459 532 T CA -0.677 61.403 62.100 -0.034 0.000 1.114 532 T CB 0.727 69.574 68.868 -0.034 0.000 1.162 532 T HN 0.060 nan 8.240 nan 0.000 0.665 533 K N 2.047 122.425 120.400 -0.037 0.000 2.469 533 K HA 0.268 4.587 4.320 -0.001 0.000 0.274 533 K C 0.173 176.739 176.600 -0.056 0.000 0.983 533 K CA -0.172 56.089 56.287 -0.043 0.000 0.974 533 K CB 0.140 32.629 32.500 -0.019 0.000 0.913 533 K HN 0.254 nan 8.250 nan 0.000 0.493 534 L N 2.208 123.380 121.223 -0.084 0.000 2.488 534 L HA 0.209 4.548 4.340 -0.001 0.000 0.249 534 L C 1.386 178.203 176.870 -0.090 0.000 1.151 534 L CA -0.112 54.669 54.840 -0.099 0.000 0.806 534 L CB 0.420 42.390 42.059 -0.150 0.000 1.261 534 L HN 0.589 nan 8.230 nan 0.000 0.484 535 K N 0.309 120.659 120.400 -0.084 0.000 2.025 535 K HA 0.026 4.346 4.320 -0.001 0.000 0.207 535 K C -0.046 176.512 176.600 -0.069 0.000 1.049 535 K CA 0.497 56.751 56.287 -0.056 0.000 0.933 535 K CB -0.460 32.018 32.500 -0.035 0.000 0.714 535 K HN 0.167 nan 8.250 nan 0.000 0.438 536 L N 2.082 123.210 121.223 -0.159 0.000 3.133 536 L HA -0.153 4.187 4.340 -0.001 0.000 0.697 536 L C -0.405 176.484 176.870 0.031 0.000 1.093 536 L CA 1.228 55.931 54.840 -0.228 0.000 1.305 536 L CB -2.229 39.728 42.059 -0.170 0.000 1.841 536 L HN 0.774 nan 8.230 nan 0.000 0.896 537 T N 0.772 115.385 114.554 0.098 0.000 2.897 537 T HA 0.869 5.219 4.350 -0.001 0.000 0.278 537 T C -2.205 172.650 174.700 0.257 0.000 0.981 537 T CA -1.918 60.274 62.100 0.154 0.000 0.973 537 T CB 1.694 70.620 68.868 0.097 0.000 1.092 537 T HN 0.245 nan 8.240 nan 0.000 0.543 538 P HA 0.271 nan 4.420 nan 0.000 0.270 538 P C -0.744 176.598 177.300 0.070 0.000 1.221 538 P CA -0.149 63.020 63.100 0.115 0.000 0.788 538 P CB 0.259 32.000 31.700 0.068 0.000 0.904 539 I N 2.723 123.283 120.570 -0.017 0.000 2.378 539 I HA 0.228 4.397 4.170 -0.001 0.000 0.291 539 I C -1.513 174.575 176.117 -0.048 0.000 0.992 539 I CA -2.303 58.947 61.300 -0.083 0.000 1.154 539 I CB 1.837 39.700 38.000 -0.228 0.000 1.315 539 I HN 0.289 nan 8.210 nan 0.000 0.448 540 P HA -0.215 nan 4.420 nan 0.000 0.202 540 P C 1.394 178.674 177.300 -0.034 0.000 1.121 540 P CA 1.250 64.336 63.100 -0.023 0.000 0.939 540 P CB 0.153 31.845 31.700 -0.014 0.000 0.761 541 A N -0.598 122.200 122.820 -0.037 0.000 2.285 541 A HA -0.158 4.162 4.320 -0.001 0.000 0.214 541 A C 2.148 179.699 177.584 -0.054 0.000 1.188 541 A CA 1.794 53.808 52.037 -0.040 0.000 0.707 541 A CB -1.613 17.367 19.000 -0.033 0.000 0.771 541 A HN 0.240 nan 8.150 nan 0.000 0.488 542 A N 0.523 123.306 122.820 -0.062 0.000 1.903 542 A HA -0.185 4.134 4.320 -0.001 0.000 0.219 542 A C 2.313 179.849 177.584 -0.081 0.000 1.191 542 A CA 2.264 54.257 52.037 -0.073 0.000 0.638 542 A CB -0.993 17.968 19.000 -0.064 0.000 0.823 542 A HN 1.271 nan 8.150 nan 0.000 0.451 543 S N -1.143 114.517 115.700 -0.067 0.000 2.754 543 S HA 0.108 4.578 4.470 -0.001 0.000 0.223 543 S C 1.337 175.893 174.600 -0.072 0.000 0.951 543 S CA 0.568 58.725 58.200 -0.073 0.000 0.954 543 S CB -0.055 63.113 63.200 -0.053 0.000 0.780 543 S HN 0.655 nan 8.310 nan 0.000 0.509 544 Q N -0.107 119.652 119.800 -0.070 0.000 2.212 544 Q HA 0.233 4.573 4.340 -0.001 0.000 0.199 544 Q C -0.267 175.688 176.000 -0.075 0.000 0.950 544 Q CA 0.329 56.097 55.803 -0.059 0.000 0.863 544 Q CB -0.063 28.648 28.738 -0.044 0.000 0.944 544 Q HN 0.510 nan 8.270 nan 0.000 0.465 545 L N 1.152 122.312 121.223 -0.106 0.000 2.452 545 L HA 0.028 4.367 4.340 -0.001 0.000 0.267 545 L C 0.427 177.196 176.870 -0.167 0.000 1.188 545 L CA 0.581 55.340 54.840 -0.135 0.000 0.821 545 L CB 0.328 42.270 42.059 -0.194 0.000 1.102 545 L HN -0.038 nan 8.230 nan 0.000 0.470 546 D N 2.466 122.773 120.400 -0.155 0.000 2.622 546 D HA 0.138 4.777 4.640 -0.001 0.000 0.262 546 D C 0.109 176.268 176.300 -0.236 0.000 1.189 546 D CA -0.217 53.695 54.000 -0.147 0.000 0.985 546 D CB 0.372 41.128 40.800 -0.072 0.000 0.994 546 D HN 0.446 nan 8.370 nan 0.000 0.513 547 L N 2.468 123.435 121.223 -0.427 0.000 2.873 547 L HA -0.005 4.334 4.340 -0.001 0.000 0.252 547 L C 2.198 178.874 176.870 -0.323 0.000 1.266 547 L CA -0.329 54.040 54.840 -0.784 0.000 1.111 547 L CB -0.690 40.795 42.059 -0.956 0.000 1.440 547 L HN 0.213 nan 8.230 nan 0.000 0.427 548 S N 0.291 115.920 115.700 -0.120 0.000 2.406 548 S HA -0.130 4.340 4.470 -0.001 0.000 0.211 548 S C 1.863 176.514 174.600 0.086 0.000 1.045 548 S CA 0.855 59.048 58.200 -0.011 0.000 1.058 548 S CB -1.009 62.184 63.200 -0.013 0.000 1.044 548 S HN 0.424 nan 8.310 nan 0.000 0.413 549 G N -0.772 108.092 108.800 0.105 0.000 3.028 549 G HA2 0.038 3.997 3.960 -0.001 0.000 0.205 549 G HA3 0.038 3.997 3.960 -0.001 0.000 0.205 549 G C 0.568 175.663 174.900 0.324 0.000 1.182 549 G CA -0.137 45.052 45.100 0.147 0.000 0.860 549 G HN 0.539 nan 8.290 nan 0.000 0.507 550 W N 0.012 121.246 121.300 -0.110 0.000 2.409 550 W HA 0.264 4.923 4.660 -0.001 0.000 0.299 550 W C 0.293 176.434 176.519 -0.629 0.000 1.203 550 W CA 0.393 57.442 57.345 -0.493 0.000 1.298 550 W CB -0.054 28.890 29.460 -0.860 0.000 1.127 550 W HN 0.114 nan 8.180 nan 0.000 0.528 551 F N -0.654 119.477 119.950 0.301 0.000 2.660 551 F HA 0.319 4.845 4.527 -0.001 0.000 0.352 551 F C 0.394 176.345 175.800 0.252 0.000 1.257 551 F CA -0.793 57.373 58.000 0.278 0.000 1.200 551 F CB 0.048 39.170 39.000 0.203 0.000 1.473 551 F HN -0.404 nan 8.300 nan 0.000 0.561 552 V N 0.138 120.296 119.914 0.406 0.000 3.058 552 V HA 0.675 4.794 4.120 -0.001 0.000 0.233 552 V C 0.745 176.993 176.094 0.256 0.000 1.255 552 V CA 0.655 63.121 62.300 0.278 0.000 1.267 552 V CB 0.701 32.667 31.823 0.238 0.000 1.049 552 V HN 0.465 nan 8.190 nan 0.000 0.486 553 A N -0.711 122.215 122.820 0.177 0.000 2.602 553 A HA 0.770 5.089 4.320 -0.001 0.000 0.290 553 A C -0.287 176.898 177.584 -0.665 0.000 1.114 553 A CA 0.091 52.077 52.037 -0.086 0.000 0.683 553 A CB 0.968 19.834 19.000 -0.224 0.000 1.281 553 A HN 0.417 nan 8.150 nan 0.000 0.416 554 G N -1.245 106.829 108.800 -1.209 0.000 2.377 554 G HA2 0.528 4.487 3.960 -0.001 0.000 0.299 554 G HA3 0.528 4.487 3.960 -0.001 0.000 0.299 554 G C -0.851 173.356 174.900 -1.155 0.000 1.150 554 G CA -0.024 44.007 45.100 -1.782 0.000 0.847 554 G HN 0.585 nan 8.290 nan 0.000 0.501 555 Y N 0.798 120.889 120.300 -0.349 0.000 2.768 555 Y HA 0.288 4.838 4.550 -0.001 0.000 0.249 555 Y C 1.344 177.172 175.900 -0.120 0.000 1.146 555 Y CA -0.940 57.057 58.100 -0.172 0.000 1.171 555 Y CB 0.434 38.818 38.460 -0.126 0.000 1.249 555 Y HN 0.506 nan 8.280 nan 0.000 0.567 556 S N 0.915 116.592 115.700 -0.039 0.000 2.629 556 S HA 0.297 4.766 4.470 -0.001 0.000 0.302 556 S C 1.481 176.108 174.600 0.045 0.000 1.244 556 S CA 1.477 59.687 58.200 0.016 0.000 1.098 556 S CB -0.178 63.037 63.200 0.024 0.000 0.858 556 S HN 1.056 nan 8.310 nan 0.000 0.502 557 G N 3.730 112.558 108.800 0.046 0.000 2.184 557 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.264 557 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.264 557 G C 0.895 175.833 174.900 0.062 0.000 0.975 557 G CA 0.381 45.514 45.100 0.055 0.000 0.642 557 G HN 1.378 nan 8.290 nan 0.000 0.536 558 G N 0.142 108.986 108.800 0.073 0.000 2.848 558 G HA2 0.325 4.284 3.960 -0.001 0.000 0.208 558 G HA3 0.325 4.284 3.960 -0.001 0.000 0.208 558 G C 0.551 175.475 174.900 0.040 0.000 1.152 558 G CA 1.162 46.319 45.100 0.096 0.000 0.789 558 G HN 1.313 nan 8.290 nan 0.000 0.531 559 D N -0.526 119.869 120.400 -0.007 0.000 2.697 559 D HA -0.176 4.464 4.640 -0.001 0.000 0.235 559 D C -0.044 176.206 176.300 -0.084 0.000 1.167 559 D CA 0.355 54.326 54.000 -0.049 0.000 0.656 559 D CB -1.053 39.729 40.800 -0.031 0.000 1.025 559 D HN 0.088 nan 8.370 nan 0.000 0.419 560 I N 1.358 121.838 120.570 -0.150 0.000 2.412 560 I HA 0.397 4.567 4.170 -0.001 0.000 0.296 560 I C -0.127 175.772 176.117 -0.364 0.000 0.987 560 I CA -0.725 60.387 61.300 -0.312 0.000 1.180 560 I CB 1.336 38.998 38.000 -0.562 0.000 1.340 560 I HN 0.142 nan 8.210 nan 0.000 0.455 561 Y N 5.650 125.649 120.300 -0.502 0.000 2.406 561 Y HA 0.448 4.997 4.550 -0.001 0.000 0.340 561 Y C -1.020 174.629 175.900 -0.419 0.000 0.975 561 Y CA -0.627 57.191 58.100 -0.471 0.000 1.056 561 Y CB 1.373 39.674 38.460 -0.265 0.000 1.210 561 Y HN 0.556 nan 8.280 nan 0.000 0.448 562 H N 3.235 121.596 119.070 -1.182 0.000 2.587 562 H HA 0.355 4.910 4.556 -0.001 0.000 0.325 562 H C -0.571 174.208 175.328 -0.916 0.000 1.012 562 H CA -0.975 54.564 56.048 -0.849 0.000 1.213 562 H CB 1.260 30.589 29.762 -0.722 0.000 1.431 562 H HN 0.636 nan 8.280 nan 0.000 0.492 563 S N 4.488 119.947 115.700 -0.402 0.000 2.423 563 S HA 0.126 4.596 4.470 -0.001 0.000 0.302 563 S C 0.114 174.692 174.600 -0.038 0.000 1.143 563 S CA -0.751 57.344 58.200 -0.175 0.000 1.080 563 S CB 0.183 63.421 63.200 0.064 0.000 1.081 563 S HN 0.338 nan 8.310 nan 0.000 0.522 564 L N 0.000 121.235 121.223 0.020 0.000 2.949 564 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 564 L CA 0.000 54.913 54.840 0.121 0.000 0.813 564 L CB 0.000 42.202 42.059 0.239 0.000 0.961 564 L HN 0.000 nan 8.230 nan 0.000 0.502