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 1nhu_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL 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 VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.574 174.600 -0.043 0.000 1.055 1 S CA 0.000 58.180 58.200 -0.034 0.000 1.107 1 S CB 0.000 63.172 63.200 -0.047 0.000 0.593 2 M N 3.348 122.913 119.600 -0.059 0.000 2.200 2 M HA 0.283 4.763 4.480 -0.001 0.000 0.355 2 M C 1.917 178.106 176.300 -0.186 0.000 1.283 2 M CA -0.179 55.073 55.300 -0.080 0.000 1.124 2 M CB 0.770 33.340 32.600 -0.049 0.000 1.625 2 M HN 1.083 nan 8.290 nan 0.000 0.463 3 S N 3.148 118.675 115.700 -0.288 0.000 2.387 3 S HA -0.136 4.334 4.470 -0.001 0.000 0.230 3 S C 0.140 174.277 174.600 -0.772 0.000 1.035 3 S CA 1.156 59.045 58.200 -0.518 0.000 1.014 3 S CB -0.255 62.560 63.200 -0.642 0.000 0.836 3 S HN 0.651 nan 8.310 nan 0.000 0.466 4 Y N 0.462 120.575 120.300 -0.312 0.000 2.571 4 Y HA 0.547 5.096 4.550 -0.001 0.000 0.341 4 Y C -0.369 175.202 175.900 -0.549 0.000 1.076 4 Y CA -0.917 56.854 58.100 -0.548 0.000 1.029 4 Y CB 2.025 39.916 38.460 -0.949 0.000 1.308 4 Y HN 0.107 nan 8.280 nan 0.000 0.461 5 T N -2.077 112.210 114.554 -0.445 0.000 2.879 5 T HA 0.596 4.946 4.350 -0.001 0.000 0.290 5 T C -1.347 173.144 174.700 -0.348 0.000 0.993 5 T CA -0.807 61.130 62.100 -0.273 0.000 0.975 5 T CB 0.683 69.493 68.868 -0.097 0.000 0.981 5 T HN 0.514 nan 8.240 nan 0.000 0.439 6 W N 1.553 122.908 121.300 0.092 0.000 2.627 6 W HA 0.484 5.143 4.660 -0.002 0.000 0.339 6 W C 1.545 178.092 176.519 0.046 0.000 1.058 6 W CA -0.848 56.534 57.345 0.062 0.000 1.223 6 W CB 1.794 31.272 29.460 0.030 0.000 1.389 6 W HN 0.864 nan 8.180 nan 0.000 0.541 7 T N -2.100 112.632 114.554 0.296 0.000 3.067 7 T HA 0.285 4.634 4.350 -0.001 0.000 0.257 7 T C 1.452 176.236 174.700 0.139 0.000 1.105 7 T CA 0.804 63.007 62.100 0.171 0.000 1.104 7 T CB -0.031 68.915 68.868 0.129 0.000 0.925 7 T HN 1.163 nan 8.240 nan 0.000 0.498 8 G N 1.142 110.033 108.800 0.152 0.000 2.218 8 G HA2 0.025 3.985 3.960 -0.001 0.000 0.216 8 G HA3 0.025 3.985 3.960 -0.001 0.000 0.216 8 G C 0.339 175.259 174.900 0.034 0.000 0.994 8 G CA -0.147 44.994 45.100 0.068 0.000 0.637 8 G HN 1.099 nan 8.290 nan 0.000 0.505 9 A N 0.748 123.602 122.820 0.056 0.000 2.407 9 A HA 0.688 5.007 4.320 -0.001 0.000 0.248 9 A C 0.800 178.384 177.584 -0.001 0.000 1.082 9 A CA 0.066 52.121 52.037 0.030 0.000 0.785 9 A CB 0.266 19.294 19.000 0.046 0.000 1.020 9 A HN 0.838 nan 8.150 nan 0.000 0.489 10 L N 1.435 122.646 121.223 -0.021 0.000 2.439 10 L HA 0.289 4.628 4.340 -0.001 0.000 0.261 10 L C 0.000 176.844 176.870 -0.044 0.000 1.153 10 L CA -0.251 54.558 54.840 -0.051 0.000 0.808 10 L CB 0.659 42.692 42.059 -0.042 0.000 1.126 10 L HN 0.554 nan 8.230 nan 0.000 0.460 11 I N 1.564 122.090 120.570 -0.074 0.000 2.322 11 I HA 0.104 4.273 4.170 -0.001 0.000 0.292 11 I C 0.455 176.555 176.117 -0.028 0.000 1.060 11 I CA -0.066 61.205 61.300 -0.049 0.000 1.309 11 I CB 0.989 38.942 38.000 -0.079 0.000 1.415 11 I HN 0.660 nan 8.210 nan 0.000 0.492 12 T N 5.007 119.555 114.554 -0.010 0.000 2.943 12 T HA 0.595 4.944 4.350 -0.001 0.000 0.284 12 T C -2.414 172.293 174.700 0.013 0.000 1.015 12 T CA -1.950 60.149 62.100 -0.001 0.000 1.042 12 T CB 1.825 70.693 68.868 -0.001 0.000 1.055 12 T HN 0.275 nan 8.240 nan 0.000 0.500 13 P HA 0.339 nan 4.420 nan 0.000 0.278 13 P C -0.241 177.076 177.300 0.028 0.000 1.266 13 P CA -0.693 62.424 63.100 0.027 0.000 0.807 13 P CB 1.023 32.739 31.700 0.027 0.000 1.094 14 C N 0.087 119.409 119.300 0.035 0.000 2.974 14 C HA 0.713 5.173 4.460 -0.001 0.000 0.282 14 C C 0.604 175.612 174.990 0.029 0.000 1.292 14 C CA 0.667 59.704 59.018 0.033 0.000 1.710 14 C CB -1.468 26.299 27.740 0.045 0.000 2.036 14 C HN 0.775 nan 8.230 nan 0.000 0.629 15 A N -0.566 122.272 122.820 0.030 0.000 2.441 15 A HA 0.605 4.924 4.320 -0.001 0.000 0.295 15 A C -0.709 176.897 177.584 0.037 0.000 0.992 15 A CA 0.023 52.078 52.037 0.031 0.000 0.603 15 A CB -0.725 18.295 19.000 0.033 0.000 1.385 15 A HN 0.904 nan 8.150 nan 0.000 0.470 16 A N 0.057 122.900 122.820 0.039 0.000 2.561 16 A HA 0.496 4.816 4.320 -0.001 0.000 0.234 16 A C 0.127 177.747 177.584 0.061 0.000 1.055 16 A CA 0.948 53.013 52.037 0.047 0.000 0.756 16 A CB -0.297 18.731 19.000 0.047 0.000 0.986 16 A HN 0.645 nan 8.150 nan 0.000 0.505 17 E N 1.220 121.461 120.200 0.069 0.000 2.234 17 E HA 0.345 4.694 4.350 -0.001 0.000 0.266 17 E C -1.069 175.604 176.600 0.121 0.000 0.877 17 E CA -0.454 55.998 56.400 0.087 0.000 0.758 17 E CB 1.874 31.614 29.700 0.067 0.000 1.170 17 E HN 0.756 nan 8.360 nan 0.000 0.415 18 E N 0.968 121.279 120.200 0.185 0.000 2.216 18 E HA 0.157 4.507 4.350 -0.001 0.000 0.279 18 E C 0.178 176.975 176.600 0.328 0.000 0.997 18 E CA -0.153 56.397 56.400 0.250 0.000 0.817 18 E CB 1.338 31.235 29.700 0.329 0.000 1.096 18 E HN 0.562 nan 8.360 nan 0.000 0.393 19 S N 2.311 118.186 115.700 0.292 0.000 2.514 19 S HA 0.016 4.485 4.470 -0.001 0.000 0.223 19 S C 0.585 175.443 174.600 0.429 0.000 1.046 19 S CA -0.308 58.088 58.200 0.326 0.000 0.914 19 S CB 0.111 63.446 63.200 0.225 0.000 0.807 19 S HN 0.361 nan 8.310 nan 0.000 0.497 20 K N 1.846 122.430 120.400 0.306 0.000 2.144 20 K HA 0.420 4.739 4.320 -0.001 0.000 0.270 20 K C -0.475 176.168 176.600 0.071 0.000 1.005 20 K CA -0.884 55.536 56.287 0.222 0.000 0.932 20 K CB 0.979 33.547 32.500 0.113 0.000 1.021 20 K HN 0.210 nan 8.250 nan 0.000 0.462 21 L N 3.235 124.467 121.223 0.016 0.000 2.562 21 L HA 0.100 4.439 4.340 -0.001 0.000 0.271 21 L C -2.380 174.209 176.870 -0.469 0.000 1.167 21 L CA -0.940 53.700 54.840 -0.334 0.000 0.917 21 L CB -0.255 41.751 42.059 -0.087 0.000 1.187 21 L HN 0.501 nan 8.230 nan 0.000 0.482 22 P HA 0.209 nan 4.420 nan 0.000 0.271 22 P C -0.970 176.080 177.300 -0.417 0.000 1.216 22 P CA -0.033 62.762 63.100 -0.507 0.000 0.776 22 P CB 0.608 31.958 31.700 -0.583 0.000 0.881 23 I N 2.884 123.276 120.570 -0.298 0.000 2.509 23 I HA 0.413 4.583 4.170 -0.001 0.000 0.293 23 I C 0.397 176.401 176.117 -0.188 0.000 1.020 23 I CA -0.644 60.483 61.300 -0.288 0.000 1.088 23 I CB 1.589 39.419 38.000 -0.284 0.000 1.267 23 I HN 0.492 nan 8.210 nan 0.000 0.430 24 N N 3.808 122.411 118.700 -0.160 0.000 3.343 24 N HA 0.447 5.186 4.740 -0.001 0.000 0.330 24 N C 0.337 175.807 175.510 -0.066 0.000 1.560 24 N CA -0.293 52.696 53.050 -0.100 0.000 0.752 24 N CB 0.650 39.079 38.487 -0.098 0.000 1.863 24 N HN 0.389 nan 8.380 nan 0.000 0.636 25 A N -0.473 122.321 122.820 -0.044 0.000 2.067 25 A HA 0.109 4.428 4.320 -0.001 0.000 0.219 25 A C 1.828 179.403 177.584 -0.014 0.000 1.158 25 A CA 0.969 52.992 52.037 -0.024 0.000 0.661 25 A CB -0.931 18.058 19.000 -0.020 0.000 0.801 25 A HN 0.538 nan 8.150 nan 0.000 0.452 26 L N -1.096 120.115 121.223 -0.021 0.000 2.375 26 L HA -0.013 4.326 4.340 -0.001 0.000 0.215 26 L C 2.541 179.440 176.870 0.049 0.000 1.108 26 L CA 0.605 55.451 54.840 0.009 0.000 0.830 26 L CB -0.305 41.740 42.059 -0.023 0.000 0.959 26 L HN 0.236 nan 8.230 nan 0.000 0.457 27 S N 0.775 116.473 115.700 -0.004 0.000 2.368 27 S HA -0.201 4.268 4.470 -0.001 0.000 0.226 27 S C 1.695 176.346 174.600 0.085 0.000 1.044 27 S CA 1.746 59.939 58.200 -0.013 0.000 1.062 27 S CB -0.380 62.713 63.200 -0.178 0.000 0.931 27 S HN 0.482 nan 8.310 nan 0.000 0.440 28 N N 1.397 120.167 118.700 0.116 0.000 2.381 28 N HA -0.047 4.692 4.740 -0.001 0.000 0.182 28 N C 1.814 177.367 175.510 0.072 0.000 1.025 28 N CA 1.151 54.285 53.050 0.139 0.000 0.888 28 N CB -0.464 38.087 38.487 0.107 0.000 0.965 28 N HN 0.613 nan 8.380 nan 0.000 0.438 29 S N -0.334 115.407 115.700 0.069 0.000 2.481 29 S HA -0.023 4.447 4.470 -0.001 0.000 0.231 29 S C 1.702 176.356 174.600 0.091 0.000 0.996 29 S CA 0.326 58.554 58.200 0.048 0.000 0.942 29 S CB -0.019 63.226 63.200 0.074 0.000 0.768 29 S HN 0.237 nan 8.310 nan 0.000 0.520 30 L N -0.179 121.085 121.223 0.068 0.000 2.445 30 L HA 0.620 4.960 4.340 -0.001 0.000 0.207 30 L C -0.026 176.883 176.870 0.065 0.000 1.053 30 L CA 0.566 55.417 54.840 0.019 0.000 0.841 30 L CB 0.392 42.213 42.059 -0.398 0.000 1.074 30 L HN 0.499 nan 8.230 nan 0.000 0.479 31 L N -0.999 120.263 121.223 0.065 0.000 2.513 31 L HA 0.415 4.754 4.340 -0.001 0.000 0.261 31 L C 0.144 177.065 176.870 0.085 0.000 0.945 31 L CA -0.445 54.428 54.840 0.056 0.000 0.848 31 L CB 1.737 43.843 42.059 0.079 0.000 1.334 31 L HN -0.004 nan 8.230 nan 0.000 0.407 32 R N 1.000 121.430 120.500 -0.118 0.000 2.225 32 R HA 0.204 4.544 4.340 -0.001 0.000 0.194 32 R C 0.022 176.118 176.300 -0.341 0.000 0.957 32 R CA 0.139 56.079 56.100 -0.266 0.000 1.042 32 R CB 0.228 30.418 30.300 -0.183 0.000 1.004 32 R HN 0.641 nan 8.270 nan 0.000 0.509 33 H N 0.572 119.550 119.070 -0.154 0.000 2.799 33 H HA 0.101 4.656 4.556 -0.001 0.000 0.225 33 H C 0.422 175.764 175.328 0.023 0.000 1.904 33 H CA -0.341 55.652 56.048 -0.092 0.000 1.344 33 H CB -0.033 29.721 29.762 -0.014 0.000 1.744 33 H HN 0.348 nan 8.280 nan 0.000 0.542 34 H N 1.013 120.169 119.070 0.144 0.000 2.353 34 H HA -0.202 4.354 4.556 -0.001 0.000 0.298 34 H C 1.930 177.327 175.328 0.116 0.000 1.103 34 H CA 1.406 57.513 56.048 0.098 0.000 1.293 34 H CB 0.185 29.980 29.762 0.054 0.000 1.372 34 H HN 0.664 nan 8.280 nan 0.000 0.501 35 N N 0.774 119.604 118.700 0.217 0.000 2.585 35 N HA -0.125 4.614 4.740 -0.001 0.000 0.188 35 N C 1.326 176.941 175.510 0.174 0.000 1.102 35 N CA 0.991 54.139 53.050 0.162 0.000 0.920 35 N CB -0.234 38.309 38.487 0.095 0.000 0.963 35 N HN 0.392 nan 8.380 nan 0.000 0.447 36 M N -0.164 119.556 119.600 0.200 0.000 2.541 36 M HA 0.149 4.628 4.480 -0.001 0.000 0.252 36 M C -0.357 176.117 176.300 0.290 0.000 1.125 36 M CA 0.121 55.548 55.300 0.212 0.000 1.091 36 M CB 0.647 33.362 32.600 0.191 0.000 1.420 36 M HN -0.027 nan 8.290 nan 0.000 0.486 37 V N 1.009 121.100 119.914 0.296 0.000 2.435 37 V HA 0.379 4.498 4.120 -0.001 0.000 0.290 37 V C -0.847 175.496 176.094 0.416 0.000 1.030 37 V CA -0.726 61.757 62.300 0.305 0.000 0.881 37 V CB 0.942 32.917 31.823 0.253 0.000 0.983 37 V HN 0.313 nan 8.190 nan 0.000 0.445 38 Y N 2.413 122.875 120.300 0.271 0.000 2.625 38 Y HA 0.917 5.466 4.550 -0.001 0.000 0.338 38 Y C -0.489 175.512 175.900 0.168 0.000 1.123 38 Y CA -1.495 56.774 58.100 0.283 0.000 1.046 38 Y CB 1.453 40.032 38.460 0.199 0.000 1.299 38 Y HN 0.707 nan 8.280 nan 0.000 0.464 39 A N 1.295 124.183 122.820 0.112 0.000 2.350 39 A HA 0.708 5.028 4.320 -0.001 0.000 0.324 39 A C -0.116 177.539 177.584 0.118 0.000 1.118 39 A CA -0.366 51.535 52.037 -0.227 0.000 0.783 39 A CB 0.575 19.204 19.000 -0.617 0.000 1.236 39 A HN 1.112 nan 8.150 nan 0.000 0.457 40 T N -0.161 114.448 114.554 0.091 0.000 2.899 40 T HA 0.586 4.936 4.350 -0.001 0.000 0.295 40 T C 0.337 175.092 174.700 0.091 0.000 1.033 40 T CA 0.355 62.572 62.100 0.196 0.000 1.084 40 T CB 0.858 69.862 68.868 0.225 0.000 0.979 40 T HN 1.475 nan 8.240 nan 0.000 0.532 41 T N -2.064 112.548 114.554 0.097 0.000 2.883 41 T HA 0.470 4.820 4.350 -0.001 0.000 0.296 41 T C 1.363 176.090 174.700 0.046 0.000 1.117 41 T CA -0.237 61.900 62.100 0.062 0.000 1.006 41 T CB 1.365 70.275 68.868 0.069 0.000 1.191 41 T HN 0.804 nan 8.240 nan 0.000 0.508 42 S N 0.354 116.073 115.700 0.032 0.000 2.465 42 S HA -0.144 4.325 4.470 -0.001 0.000 0.241 42 S C 1.782 176.382 174.600 0.000 0.000 1.000 42 S CA 0.505 58.713 58.200 0.013 0.000 0.964 42 S CB -0.583 62.624 63.200 0.012 0.000 0.763 42 S HN 0.653 nan 8.310 nan 0.000 0.512 43 R N 1.967 122.475 120.500 0.013 0.000 2.237 43 R HA 0.086 4.425 4.340 -0.001 0.000 0.219 43 R C 2.243 178.538 176.300 -0.008 0.000 1.080 43 R CA 1.119 57.220 56.100 0.002 0.000 0.995 43 R CB -0.729 29.581 30.300 0.016 0.000 0.875 43 R HN 0.749 nan 8.270 nan 0.000 0.462 44 S N -1.945 113.755 115.700 -0.001 0.000 2.554 44 S HA 0.308 4.778 4.470 -0.001 0.000 0.226 44 S C 1.704 176.284 174.600 -0.034 0.000 0.980 44 S CA 0.102 58.296 58.200 -0.011 0.000 0.939 44 S CB 0.708 63.917 63.200 0.015 0.000 0.832 44 S HN 0.187 nan 8.310 nan 0.000 0.486 45 A N 2.026 124.816 122.820 -0.050 0.000 1.978 45 A HA 0.169 4.489 4.320 -0.001 0.000 0.220 45 A C 2.228 179.714 177.584 -0.163 0.000 1.170 45 A CA 1.576 53.558 52.037 -0.092 0.000 0.636 45 A CB -1.601 17.339 19.000 -0.100 0.000 0.810 45 A HN 0.661 nan 8.150 nan 0.000 0.448 46 G N -0.350 108.353 108.800 -0.162 0.000 2.422 46 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.218 46 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.218 46 G C 1.364 176.170 174.900 -0.156 0.000 1.146 46 G CA 1.140 46.115 45.100 -0.207 0.000 0.769 46 G HN 0.367 nan 8.290 nan 0.000 0.547 47 L N 0.341 121.507 121.223 -0.095 0.000 2.042 47 L HA 0.013 4.352 4.340 -0.001 0.000 0.210 47 L C 2.771 179.613 176.870 -0.047 0.000 1.076 47 L CA 1.614 56.420 54.840 -0.057 0.000 0.749 47 L CB -0.587 41.450 42.059 -0.036 0.000 0.893 47 L HN 0.177 nan 8.230 nan 0.000 0.432 48 R N -0.360 120.107 120.500 -0.057 0.000 2.075 48 R HA -0.124 4.216 4.340 -0.001 0.000 0.232 48 R C 2.208 178.477 176.300 -0.053 0.000 1.126 48 R CA 1.401 57.483 56.100 -0.029 0.000 0.963 48 R CB -0.393 29.894 30.300 -0.022 0.000 0.858 48 R HN 0.443 nan 8.270 nan 0.000 0.435 49 Q N 0.193 119.885 119.800 -0.181 0.000 2.112 49 Q HA -0.220 4.119 4.340 -0.001 0.000 0.206 49 Q C 2.016 177.989 176.000 -0.045 0.000 0.987 49 Q CA 2.246 57.883 55.803 -0.278 0.000 0.858 49 Q CB -0.155 28.128 28.738 -0.758 0.000 0.905 49 Q HN 0.340 nan 8.270 nan 0.000 0.420 50 K N 0.808 121.182 120.400 -0.044 0.000 2.009 50 K HA -0.179 4.140 4.320 -0.001 0.000 0.210 50 K C 2.038 178.723 176.600 0.141 0.000 1.049 50 K CA 1.503 57.823 56.287 0.054 0.000 0.929 50 K CB -0.054 32.460 32.500 0.023 0.000 0.714 50 K HN 0.084 nan 8.250 nan 0.000 0.440 51 K N 0.506 120.981 120.400 0.126 0.000 2.097 51 K HA -0.115 4.204 4.320 -0.001 0.000 0.206 51 K C 1.919 178.722 176.600 0.340 0.000 1.049 51 K CA 1.586 57.989 56.287 0.192 0.000 0.933 51 K CB -0.087 32.496 32.500 0.137 0.000 0.717 51 K HN 0.159 nan 8.250 nan 0.000 0.442 52 V N -1.472 118.610 119.914 0.280 0.000 3.649 52 V HA 0.073 4.193 4.120 -0.001 0.000 0.275 52 V C 0.203 176.377 176.094 0.132 0.000 1.281 52 V CA 0.138 62.614 62.300 0.293 0.000 1.143 52 V CB -0.051 31.927 31.823 0.258 0.000 0.892 52 V HN -0.037 nan 8.190 nan 0.000 0.441 53 T N 4.430 119.134 114.554 0.250 0.000 2.781 53 T HA 0.716 5.066 4.350 -0.001 0.000 0.305 53 T C -0.757 174.059 174.700 0.194 0.000 1.001 53 T CA -0.043 62.189 62.100 0.220 0.000 0.950 53 T CB 0.130 69.258 68.868 0.432 0.000 0.955 53 T HN 0.628 nan 8.240 nan 0.000 0.471 54 F N -0.147 119.900 119.950 0.161 0.000 2.741 54 F HA 0.688 5.215 4.527 0.000 0.000 0.313 54 F C -0.965 174.867 175.800 0.054 0.000 1.153 54 F CA -1.827 56.231 58.000 0.097 0.000 0.931 54 F CB 0.591 39.641 39.000 0.084 0.000 1.335 54 F HN 0.194 nan 8.300 nan 0.000 0.460 55 D N 0.413 121.011 120.400 0.332 0.000 2.304 55 D HA 0.529 5.168 4.640 -0.001 0.000 0.247 55 D C -0.957 175.494 176.300 0.251 0.000 1.089 55 D CA 0.047 54.160 54.000 0.188 0.000 0.910 55 D CB 0.891 41.763 40.800 0.120 0.000 1.199 55 D HN 0.583 nan 8.370 nan 0.000 0.426 56 R N 2.000 122.582 120.500 0.136 0.000 2.534 56 R HA 0.627 4.967 4.340 -0.001 0.000 0.301 56 R C -1.174 175.158 176.300 0.054 0.000 0.961 56 R CA -0.736 55.438 56.100 0.124 0.000 0.871 56 R CB 1.253 31.602 30.300 0.083 0.000 1.170 56 R HN 0.303 nan 8.270 nan 0.000 0.446 57 L N 1.763 123.012 121.223 0.042 0.000 2.381 57 L HA 0.525 4.865 4.340 -0.001 0.000 0.268 57 L C -0.887 175.983 176.870 0.000 0.000 0.997 57 L CA -0.342 54.505 54.840 0.012 0.000 0.818 57 L CB 2.156 44.220 42.059 0.008 0.000 1.310 57 L HN 0.584 nan 8.230 nan 0.000 0.416 58 Q N 2.069 121.858 119.800 -0.018 0.000 2.347 58 Q HA 0.710 5.049 4.340 -0.001 0.000 0.271 58 Q C -1.581 174.394 176.000 -0.041 0.000 1.064 58 Q CA -0.756 55.029 55.803 -0.030 0.000 0.800 58 Q CB 3.288 31.987 28.738 -0.066 0.000 1.304 58 Q HN 0.335 nan 8.270 nan 0.000 0.438 59 V N 4.006 123.904 119.914 -0.026 0.000 2.380 59 V HA 0.364 4.483 4.120 -0.001 0.000 0.286 59 V C -0.778 175.321 176.094 0.008 0.000 1.015 59 V CA -0.483 61.800 62.300 -0.027 0.000 0.834 59 V CB 1.158 32.962 31.823 -0.030 0.000 1.009 59 V HN 0.606 nan 8.190 nan 0.000 0.428 60 L N 5.710 126.890 121.223 -0.072 0.000 2.272 60 L HA 0.595 4.935 4.340 -0.001 0.000 0.289 60 L C 0.062 176.935 176.870 0.005 0.000 1.032 60 L CA -0.518 54.235 54.840 -0.146 0.000 0.810 60 L CB 1.369 43.154 42.059 -0.456 0.000 1.205 60 L HN 0.654 nan 8.230 nan 0.000 0.422 61 D N 0.837 121.321 120.400 0.141 0.000 2.549 61 D HA 0.115 4.755 4.640 -0.001 0.000 0.270 61 D C 0.253 176.623 176.300 0.117 0.000 1.181 61 D CA -0.601 53.471 54.000 0.119 0.000 1.070 61 D CB 0.915 41.801 40.800 0.143 0.000 1.154 61 D HN 0.324 nan 8.370 nan 0.000 0.602 62 D N -1.146 119.263 120.400 0.014 0.000 2.178 62 D HA -0.146 4.494 4.640 -0.001 0.000 0.202 62 D C 1.769 178.070 176.300 0.002 0.000 0.974 62 D CA 1.018 55.003 54.000 -0.025 0.000 0.841 62 D CB -0.101 40.634 40.800 -0.109 0.000 0.953 62 D HN 0.419 nan 8.370 nan 0.000 0.478 63 H N -0.178 118.958 119.070 0.110 0.000 2.352 63 H HA -0.162 4.394 4.556 -0.001 0.000 0.299 63 H C 2.020 177.392 175.328 0.073 0.000 1.097 63 H CA 0.984 57.088 56.048 0.094 0.000 1.311 63 H CB -0.647 29.194 29.762 0.131 0.000 1.377 63 H HN 0.321 nan 8.280 nan 0.000 0.504 64 Y N 1.894 122.238 120.300 0.074 0.000 2.097 64 Y HA -0.233 4.317 4.550 -0.001 0.000 0.282 64 Y C 2.693 178.545 175.900 -0.081 0.000 1.152 64 Y CA 1.712 59.733 58.100 -0.132 0.000 1.136 64 Y CB -0.114 38.178 38.460 -0.279 0.000 0.975 64 Y HN -0.048 nan 8.280 nan 0.000 0.498 65 R N 0.058 120.628 120.500 0.117 0.000 2.115 65 R HA -0.138 4.201 4.340 -0.001 0.000 0.230 65 R C 1.747 178.019 176.300 -0.047 0.000 1.111 65 R CA 1.336 57.442 56.100 0.011 0.000 0.976 65 R CB -0.279 30.071 30.300 0.083 0.000 0.870 65 R HN 0.431 nan 8.270 nan 0.000 0.445 66 D N 0.118 120.513 120.400 -0.010 0.000 2.117 66 D HA -0.116 4.523 4.640 -0.001 0.000 0.197 66 D C 1.946 178.225 176.300 -0.035 0.000 0.987 66 D CA 1.063 55.059 54.000 -0.006 0.000 0.829 66 D CB -0.155 40.667 40.800 0.037 0.000 0.961 66 D HN -0.003 nan 8.370 nan 0.000 0.460 67 V N 1.171 121.047 119.914 -0.064 0.000 2.427 67 V HA -0.189 3.930 4.120 -0.001 0.000 0.248 67 V C 2.425 178.444 176.094 -0.126 0.000 1.051 67 V CA 0.909 63.156 62.300 -0.088 0.000 1.048 67 V CB -0.383 31.361 31.823 -0.130 0.000 0.666 67 V HN 0.129 nan 8.190 nan 0.000 0.456 68 L N 0.582 121.664 121.223 -0.235 0.000 2.083 68 L HA -0.160 4.180 4.340 -0.001 0.000 0.209 68 L C 2.381 179.179 176.870 -0.120 0.000 1.083 68 L CA 2.176 56.877 54.840 -0.233 0.000 0.752 68 L CB -0.818 41.033 42.059 -0.346 0.000 0.899 68 L HN 0.269 nan 8.230 nan 0.000 0.433 69 K N -0.429 119.918 120.400 -0.088 0.000 2.063 69 K HA -0.215 4.105 4.320 -0.001 0.000 0.208 69 K C 1.930 178.509 176.600 -0.035 0.000 1.048 69 K CA 1.905 58.162 56.287 -0.050 0.000 0.928 69 K CB -0.111 32.370 32.500 -0.032 0.000 0.713 69 K HN 0.516 nan 8.250 nan 0.000 0.442 70 E N 0.125 120.310 120.200 -0.026 0.000 2.077 70 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 70 E C 2.100 178.696 176.600 -0.007 0.000 0.989 70 E CA 1.631 58.028 56.400 -0.006 0.000 0.800 70 E CB -0.094 29.614 29.700 0.014 0.000 0.746 70 E HN 0.357 nan 8.360 nan 0.000 0.452 71 M N 0.620 120.213 119.600 -0.012 0.000 2.117 71 M HA -0.173 4.306 4.480 -0.001 0.000 0.262 71 M C 2.154 178.425 176.300 -0.048 0.000 1.065 71 M CA 1.475 56.760 55.300 -0.024 0.000 1.114 71 M CB -0.117 32.467 32.600 -0.026 0.000 1.361 71 M HN -0.062 nan 8.290 nan 0.000 0.408 72 K N 0.231 120.600 120.400 -0.053 0.000 2.097 72 K HA -0.087 4.232 4.320 -0.001 0.000 0.206 72 K C 2.093 178.673 176.600 -0.033 0.000 1.049 72 K CA 1.384 57.642 56.287 -0.049 0.000 0.933 72 K CB -0.262 32.209 32.500 -0.049 0.000 0.717 72 K HN 0.306 nan 8.250 nan 0.000 0.442 73 A N 1.900 124.704 122.820 -0.027 0.000 1.933 73 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 73 A C 1.828 179.400 177.584 -0.020 0.000 1.175 73 A CA 1.499 53.525 52.037 -0.019 0.000 0.628 73 A CB -0.224 18.768 19.000 -0.012 0.000 0.814 73 A HN 0.202 nan 8.150 nan 0.000 0.444 74 K N -0.359 120.025 120.400 -0.027 0.000 2.103 74 K HA 0.070 4.389 4.320 -0.001 0.000 0.204 74 K C 2.256 178.832 176.600 -0.041 0.000 1.052 74 K CA 0.907 57.173 56.287 -0.034 0.000 0.945 74 K CB -0.286 32.188 32.500 -0.044 0.000 0.722 74 K HN 0.404 nan 8.250 nan 0.000 0.443 75 A N 1.365 124.158 122.820 -0.044 0.000 1.972 75 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 75 A C 2.110 179.682 177.584 -0.020 0.000 1.169 75 A CA 1.595 53.609 52.037 -0.037 0.000 0.635 75 A CB -0.484 18.494 19.000 -0.036 0.000 0.810 75 A HN 0.155 nan 8.150 nan 0.000 0.446 76 S N -0.335 115.355 115.700 -0.017 0.000 2.469 76 S HA -0.117 4.352 4.470 -0.001 0.000 0.238 76 S C 1.942 176.537 174.600 -0.008 0.000 0.998 76 S CA 1.673 59.867 58.200 -0.009 0.000 0.957 76 S CB -0.485 62.710 63.200 -0.009 0.000 0.764 76 S HN 0.917 nan 8.310 nan 0.000 0.514 77 T N -1.085 113.460 114.554 -0.014 0.000 3.100 77 T HA 0.200 4.549 4.350 -0.001 0.000 0.253 77 T C 0.494 175.185 174.700 -0.015 0.000 1.118 77 T CA -0.113 61.979 62.100 -0.014 0.000 1.058 77 T CB -0.228 68.630 68.868 -0.018 0.000 0.953 77 T HN 0.024 nan 8.240 nan 0.000 0.515 78 V N 2.018 121.922 119.914 -0.017 0.000 2.530 78 V HA 0.412 4.532 4.120 -0.001 0.000 0.282 78 V C 0.063 176.154 176.094 -0.005 0.000 1.048 78 V CA -0.779 61.511 62.300 -0.017 0.000 0.997 78 V CB 1.061 32.870 31.823 -0.024 0.000 0.987 78 V HN 0.405 nan 8.190 nan 0.000 0.477 79 K N 3.841 124.238 120.400 -0.005 0.000 2.358 79 K HA 0.769 5.089 4.320 -0.001 0.000 0.260 79 K C -0.658 175.944 176.600 0.003 0.000 0.956 79 K CA -0.300 55.989 56.287 0.003 0.000 0.834 79 K CB 1.514 34.016 32.500 0.003 0.000 1.102 79 K HN 0.843 nan 8.250 nan 0.000 0.431 80 A N 3.730 126.557 122.820 0.011 0.000 2.413 80 A HA 0.609 4.928 4.320 -0.001 0.000 0.307 80 A C -1.434 176.165 177.584 0.025 0.000 1.087 80 A CA -0.979 51.065 52.037 0.013 0.000 0.750 80 A CB 1.062 20.067 19.000 0.007 0.000 1.296 80 A HN 0.827 nan 8.150 nan 0.000 0.423 81 K N 0.836 121.253 120.400 0.029 0.000 2.208 81 K HA 0.756 5.076 4.320 -0.001 0.000 0.247 81 K C -1.046 175.580 176.600 0.042 0.000 0.953 81 K CA -0.742 55.564 56.287 0.033 0.000 0.837 81 K CB 1.351 33.865 32.500 0.024 0.000 1.131 81 K HN 0.351 nan 8.250 nan 0.000 0.431 82 L N 2.452 123.696 121.223 0.035 0.000 2.380 82 L HA 0.243 4.582 4.340 -0.001 0.000 0.273 82 L C -0.848 176.008 176.870 -0.024 0.000 1.138 82 L CA -0.369 54.484 54.840 0.022 0.000 0.832 82 L CB 0.638 42.709 42.059 0.020 0.000 1.124 82 L HN 0.640 nan 8.230 nan 0.000 0.454 83 L N 3.105 124.298 121.223 -0.050 0.000 2.357 83 L HA 0.439 4.779 4.340 -0.001 0.000 0.273 83 L C 0.463 177.230 176.870 -0.173 0.000 1.080 83 L CA 0.258 55.051 54.840 -0.078 0.000 0.803 83 L CB 1.491 43.514 42.059 -0.060 0.000 1.174 83 L HN 0.844 nan 8.230 nan 0.000 0.443 84 S N 1.523 117.132 115.700 -0.151 0.000 2.608 84 S HA 0.216 4.685 4.470 -0.001 0.000 0.261 84 S C 1.291 175.755 174.600 -0.226 0.000 1.314 84 S CA -0.610 57.477 58.200 -0.187 0.000 0.992 84 S CB 0.816 63.943 63.200 -0.121 0.000 0.935 84 S HN 0.343 nan 8.310 nan 0.000 0.564 85 V N 2.185 121.944 119.914 -0.258 0.000 2.287 85 V HA -0.197 3.922 4.120 -0.001 0.000 0.248 85 V C 2.900 178.896 176.094 -0.163 0.000 1.053 85 V CA 2.296 64.439 62.300 -0.261 0.000 1.027 85 V CB -1.260 30.398 31.823 -0.276 0.000 0.646 85 V HN 1.008 nan 8.190 nan 0.000 0.447 86 E N 0.380 120.510 120.200 -0.117 0.000 2.110 86 E HA -0.267 4.082 4.350 -0.001 0.000 0.193 86 E C 1.878 178.419 176.600 -0.099 0.000 0.988 86 E CA 1.565 57.910 56.400 -0.090 0.000 0.804 86 E CB -0.400 29.261 29.700 -0.066 0.000 0.745 86 E HN 0.728 nan 8.360 nan 0.000 0.458 87 E N 1.315 121.447 120.200 -0.112 0.000 2.047 87 E HA -0.109 4.241 4.350 -0.001 0.000 0.191 87 E C 2.226 178.729 176.600 -0.161 0.000 0.987 87 E CA 1.119 57.446 56.400 -0.122 0.000 0.799 87 E CB -0.177 29.455 29.700 -0.113 0.000 0.752 87 E HN 0.376 nan 8.360 nan 0.000 0.449 88 A N 1.055 123.773 122.820 -0.169 0.000 1.902 88 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 88 A C 2.485 179.982 177.584 -0.146 0.000 1.181 88 A CA 1.351 53.281 52.037 -0.178 0.000 0.623 88 A CB -0.962 17.943 19.000 -0.157 0.000 0.818 88 A HN 0.369 nan 8.150 nan 0.000 0.443 89 C N -0.225 119.004 119.300 -0.118 0.000 2.413 89 C HA -0.077 4.382 4.460 -0.001 0.000 0.276 89 C C 2.530 177.467 174.990 -0.087 0.000 1.248 89 C CA 1.238 60.202 59.018 -0.089 0.000 1.742 89 C CB -0.818 26.874 27.740 -0.079 0.000 2.017 89 C HN 0.483 nan 8.230 nan 0.000 0.481 90 K N 0.866 121.212 120.400 -0.089 0.000 2.442 90 K HA 0.076 4.395 4.320 -0.001 0.000 0.198 90 K C 1.431 178.001 176.600 -0.050 0.000 1.042 90 K CA 0.806 57.056 56.287 -0.061 0.000 0.958 90 K CB -0.419 32.048 32.500 -0.055 0.000 0.766 90 K HN 0.552 nan 8.250 nan 0.000 0.474 91 L N 0.855 122.003 121.223 -0.125 0.000 2.591 91 L HA 0.026 4.366 4.340 -0.001 0.000 0.228 91 L C 0.284 177.084 176.870 -0.117 0.000 1.133 91 L CA 0.114 54.854 54.840 -0.167 0.000 0.880 91 L CB -0.074 41.760 42.059 -0.375 0.000 1.033 91 L HN -0.111 nan 8.230 nan 0.000 0.450 92 T N 1.541 116.037 114.554 -0.096 0.000 2.794 92 T HA 0.215 4.564 4.350 -0.001 0.000 0.296 92 T C -2.318 172.272 174.700 -0.184 0.000 0.949 92 T CA -1.137 60.896 62.100 -0.111 0.000 1.101 92 T CB 1.015 69.828 68.868 -0.091 0.000 0.905 92 T HN -0.153 nan 8.240 nan 0.000 0.516 93 P HA 0.137 nan 4.420 nan 0.000 0.268 93 P C -1.873 175.182 177.300 -0.409 0.000 1.205 93 P CA -1.325 61.540 63.100 -0.390 0.000 0.771 93 P CB 0.229 31.823 31.700 -0.178 0.000 0.858 94 P HA -0.179 nan 4.420 nan 0.000 0.216 94 P C 0.323 177.331 177.300 -0.488 0.000 1.150 94 P CA 1.740 64.555 63.100 -0.476 0.000 0.843 94 P CB -0.152 31.269 31.700 -0.466 0.000 0.787 95 H N -2.533 116.417 119.070 -0.199 0.000 2.487 95 H HA 0.279 4.834 4.556 -0.001 0.000 0.290 95 H C 0.485 175.738 175.328 -0.125 0.000 1.081 95 H CA -0.308 55.661 56.048 -0.132 0.000 1.116 95 H CB -0.338 29.359 29.762 -0.108 0.000 1.560 95 H HN -0.022 nan 8.280 nan 0.000 0.548 96 S N 1.270 116.922 115.700 -0.080 0.000 2.563 96 S HA 0.253 4.722 4.470 -0.001 0.000 0.284 96 S C 0.807 175.359 174.600 -0.080 0.000 1.331 96 S CA -0.405 57.736 58.200 -0.098 0.000 1.047 96 S CB 0.143 63.280 63.200 -0.105 0.000 0.859 96 S HN 0.560 nan 8.310 nan 0.000 0.514 97 A N 4.846 127.600 122.820 -0.110 0.000 2.583 97 A HA 0.127 4.446 4.320 -0.001 0.000 0.249 97 A C 0.667 178.238 177.584 -0.021 0.000 1.035 97 A CA 0.308 52.314 52.037 -0.050 0.000 0.777 97 A CB -0.450 18.526 19.000 -0.040 0.000 0.942 97 A HN 0.877 nan 8.150 nan 0.000 0.516 98 K N 2.601 122.981 120.400 -0.034 0.000 2.336 98 K HA 0.291 4.610 4.320 -0.001 0.000 0.262 98 K C 0.456 176.976 176.600 -0.134 0.000 0.992 98 K CA 0.229 56.462 56.287 -0.089 0.000 0.927 98 K CB 0.339 32.786 32.500 -0.088 0.000 0.956 98 K HN 0.486 nan 8.250 nan 0.000 0.495 99 S N 0.191 115.696 115.700 -0.325 0.000 2.593 99 S HA 0.064 4.534 4.470 -0.001 0.000 0.269 99 S C 0.546 174.932 174.600 -0.356 0.000 1.334 99 S CA -0.554 57.408 58.200 -0.395 0.000 1.015 99 S CB 0.671 63.262 63.200 -1.015 0.000 0.912 99 S HN 0.685 nan 8.310 nan 0.000 0.541 100 K N 1.663 121.830 120.400 -0.388 0.000 2.459 100 K HA 0.080 4.399 4.320 -0.001 0.000 0.193 100 K C -0.156 175.966 176.600 -0.797 0.000 1.030 100 K CA 0.665 56.607 56.287 -0.575 0.000 1.026 100 K CB -0.064 32.017 32.500 -0.699 0.000 0.809 100 K HN 0.594 nan 8.250 nan 0.000 0.504 101 F N 0.499 120.257 119.950 -0.321 0.000 2.819 101 F HA 0.240 4.767 4.527 -0.001 0.000 0.294 101 F C 1.106 176.805 175.800 -0.168 0.000 1.166 101 F CA -0.366 57.459 58.000 -0.292 0.000 1.374 101 F CB 0.565 39.231 39.000 -0.556 0.000 0.956 101 F HN 0.073 nan 8.300 nan 0.000 0.509 102 G N 0.546 109.293 108.800 -0.089 0.000 2.137 102 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.237 102 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.237 102 G C -0.369 174.601 174.900 0.116 0.000 1.002 102 G CA 0.215 45.325 45.100 0.018 0.000 0.702 102 G HN 0.585 nan 8.290 nan 0.000 0.515 103 Y N -2.558 117.736 120.300 -0.010 0.000 2.592 103 Y HA 0.742 5.292 4.550 -0.001 0.000 0.334 103 Y C 0.312 176.211 175.900 -0.002 0.000 1.136 103 Y CA -1.081 57.017 58.100 -0.003 0.000 1.042 103 Y CB 0.603 39.070 38.460 0.012 0.000 1.325 103 Y HN 0.650 nan 8.280 nan 0.000 0.457 104 G N 0.237 109.102 108.800 0.110 0.000 3.016 104 G HA2 0.543 4.503 3.960 -0.001 0.000 0.270 104 G HA3 0.543 4.503 3.960 -0.001 0.000 0.270 104 G C 0.337 175.288 174.900 0.086 0.000 1.352 104 G CA -0.776 44.335 45.100 0.018 0.000 1.060 104 G HN 1.209 nan 8.290 nan 0.000 0.538 105 A N -0.393 122.422 122.820 -0.009 0.000 1.940 105 A HA -0.023 4.296 4.320 -0.001 0.000 0.219 105 A C 2.320 179.866 177.584 -0.064 0.000 1.176 105 A CA 1.809 53.823 52.037 -0.040 0.000 0.631 105 A CB -0.369 18.558 19.000 -0.122 0.000 0.814 105 A HN 0.460 nan 8.150 nan 0.000 0.446 106 K N 0.262 120.606 120.400 -0.092 0.000 2.032 106 K HA -0.158 4.161 4.320 -0.001 0.000 0.209 106 K C 1.503 178.078 176.600 -0.042 0.000 1.048 106 K CA 1.495 57.723 56.287 -0.098 0.000 0.927 106 K CB -0.703 31.735 32.500 -0.103 0.000 0.712 106 K HN 0.528 nan 8.250 nan 0.000 0.441 107 D N 0.940 121.346 120.400 0.011 0.000 2.133 107 D HA -0.140 4.499 4.640 -0.001 0.000 0.195 107 D C 2.073 178.369 176.300 -0.006 0.000 0.997 107 D CA 0.988 55.003 54.000 0.024 0.000 0.840 107 D CB -0.112 40.751 40.800 0.105 0.000 0.947 107 D HN -0.065 nan 8.370 nan 0.000 0.452 108 V N 1.167 121.099 119.914 0.029 0.000 2.307 108 V HA -0.214 3.906 4.120 -0.001 0.000 0.245 108 V C 2.471 178.540 176.094 -0.042 0.000 1.045 108 V CA 1.531 63.828 62.300 -0.005 0.000 1.024 108 V CB -0.315 31.545 31.823 0.061 0.000 0.651 108 V HN 0.124 nan 8.190 nan 0.000 0.449 109 R N 0.427 120.894 120.500 -0.055 0.000 2.189 109 R HA -0.052 4.287 4.340 -0.001 0.000 0.223 109 R C 1.260 177.527 176.300 -0.056 0.000 1.092 109 R CA 1.046 57.105 56.100 -0.068 0.000 0.989 109 R CB -0.243 29.998 30.300 -0.098 0.000 0.876 109 R HN 0.513 nan 8.270 nan 0.000 0.457 110 N N 1.046 119.715 118.700 -0.051 0.000 2.295 110 N HA 0.098 4.838 4.740 -0.001 0.000 0.221 110 N C 0.163 175.647 175.510 -0.044 0.000 1.129 110 N CA 0.114 53.138 53.050 -0.043 0.000 0.836 110 N CB 0.478 38.942 38.487 -0.039 0.000 1.040 110 N HN 0.130 nan 8.380 nan 0.000 0.494 111 L N 0.373 121.565 121.223 -0.051 0.000 4.107 111 L HA -0.271 4.069 4.340 -0.001 0.000 0.437 111 L C 0.516 177.352 176.870 -0.058 0.000 1.128 111 L CA 0.316 55.124 54.840 -0.054 0.000 0.980 111 L CB -2.503 39.530 42.059 -0.044 0.000 1.878 111 L HN 0.207 nan 8.230 nan 0.000 1.047 112 S N -0.137 115.527 115.700 -0.060 0.000 2.599 112 S HA 0.040 4.509 4.470 -0.001 0.000 0.303 112 S C 1.569 176.124 174.600 -0.075 0.000 1.267 112 S CA 0.155 58.321 58.200 -0.057 0.000 1.055 112 S CB 1.377 64.550 63.200 -0.045 0.000 0.790 112 S HN 0.496 nan 8.310 nan 0.000 0.500 113 S N 3.307 118.974 115.700 -0.056 0.000 2.400 113 S HA -0.229 4.241 4.470 -0.001 0.000 0.232 113 S C 1.666 176.224 174.600 -0.069 0.000 1.025 113 S CA 1.257 59.423 58.200 -0.056 0.000 0.993 113 S CB -0.546 62.630 63.200 -0.040 0.000 0.808 113 S HN 0.887 nan 8.310 nan 0.000 0.478 114 K N 1.656 122.012 120.400 -0.073 0.000 2.025 114 K HA 0.056 4.376 4.320 -0.001 0.000 0.207 114 K C 2.361 178.813 176.600 -0.247 0.000 1.049 114 K CA 1.080 57.321 56.287 -0.076 0.000 0.933 114 K CB -0.598 31.897 32.500 -0.009 0.000 0.714 114 K HN 0.423 nan 8.250 nan 0.000 0.438 115 A N 0.527 123.086 122.820 -0.434 0.000 1.873 115 A HA -0.086 4.234 4.320 -0.001 0.000 0.215 115 A C 2.226 179.542 177.584 -0.446 0.000 1.186 115 A CA 1.538 53.020 52.037 -0.925 0.000 0.616 115 A CB -0.668 17.943 19.000 -0.648 0.000 0.823 115 A HN 0.163 nan 8.150 nan 0.000 0.442 116 V N 1.246 121.040 119.914 -0.200 0.000 2.407 116 V HA -0.258 3.862 4.120 -0.001 0.000 0.248 116 V C 2.232 178.380 176.094 0.090 0.000 1.055 116 V CA 2.091 64.371 62.300 -0.034 0.000 1.049 116 V CB -1.016 30.814 31.823 0.013 0.000 0.662 116 V HN 0.546 nan 8.190 nan 0.000 0.455 117 N N -0.621 118.085 118.700 0.010 0.000 2.188 117 N HA -0.172 4.567 4.740 -0.001 0.000 0.184 117 N C 1.864 177.416 175.510 0.070 0.000 1.018 117 N CA 1.492 54.566 53.050 0.039 0.000 0.858 117 N CB -0.562 37.926 38.487 0.002 0.000 0.989 117 N HN 0.648 nan 8.380 nan 0.000 0.426 118 H N 0.941 119.967 119.070 -0.073 0.000 2.357 118 H HA 0.038 4.593 4.556 -0.001 0.000 0.301 118 H C 2.055 177.374 175.328 -0.015 0.000 1.082 118 H CA 1.045 57.069 56.048 -0.041 0.000 1.342 118 H CB 0.038 29.816 29.762 0.026 0.000 1.389 118 H HN 0.109 nan 8.280 nan 0.000 0.511 119 I N 0.296 120.807 120.570 -0.098 0.000 2.208 119 I HA -0.310 3.860 4.170 -0.001 0.000 0.245 119 I C 2.334 178.369 176.117 -0.136 0.000 1.097 119 I CA 1.549 62.767 61.300 -0.138 0.000 1.363 119 I CB -0.419 37.500 38.000 -0.135 0.000 1.051 119 I HN 0.320 nan 8.210 nan 0.000 0.413 120 H N 0.203 119.227 119.070 -0.076 0.000 2.387 120 H HA -0.139 4.416 4.556 -0.001 0.000 0.299 120 H C 2.532 177.860 175.328 -0.000 0.000 1.090 120 H CA 1.882 57.917 56.048 -0.022 0.000 1.332 120 H CB -0.086 29.653 29.762 -0.040 0.000 1.386 120 H HN 0.384 nan 8.280 nan 0.000 0.516 121 S N -0.314 115.405 115.700 0.031 0.000 2.387 121 S HA -0.112 4.357 4.470 -0.001 0.000 0.226 121 S C 2.268 176.806 174.600 -0.103 0.000 1.026 121 S CA 1.042 59.220 58.200 -0.037 0.000 0.972 121 S CB -0.676 62.478 63.200 -0.076 0.000 0.814 121 S HN 0.157 nan 8.310 nan 0.000 0.477 122 V N 0.923 120.714 119.914 -0.205 0.000 2.343 122 V HA -0.133 3.986 4.120 -0.001 0.000 0.247 122 V C 2.245 178.322 176.094 -0.030 0.000 1.051 122 V CA 1.812 64.002 62.300 -0.183 0.000 1.036 122 V CB -1.027 30.653 31.823 -0.237 0.000 0.654 122 V HN 0.712 nan 8.190 nan 0.000 0.451 123 W N 1.349 122.556 121.300 -0.156 0.000 2.355 123 W HA -0.214 4.445 4.660 -0.001 0.000 0.309 123 W C 2.522 178.994 176.519 -0.079 0.000 1.206 123 W CA 2.242 59.518 57.345 -0.115 0.000 1.284 123 W CB -0.137 29.241 29.460 -0.138 0.000 1.145 123 W HN 0.244 nan 8.180 nan 0.000 0.502 124 K N 0.572 121.037 120.400 0.107 0.000 2.032 124 K HA -0.281 4.039 4.320 -0.001 0.000 0.209 124 K C 1.771 178.320 176.600 -0.085 0.000 1.048 124 K CA 2.345 58.644 56.287 0.020 0.000 0.927 124 K CB -0.604 31.932 32.500 0.060 0.000 0.712 124 K HN 0.005 nan 8.250 nan 0.000 0.441 125 D N 0.174 120.522 120.400 -0.086 0.000 2.097 125 D HA -0.160 4.479 4.640 -0.001 0.000 0.195 125 D C 1.967 178.175 176.300 -0.154 0.000 0.989 125 D CA 1.171 55.109 54.000 -0.104 0.000 0.827 125 D CB 0.017 40.760 40.800 -0.095 0.000 0.966 125 D HN 0.207 nan 8.370 nan 0.000 0.456 126 L N 0.001 121.092 121.223 -0.221 0.000 2.042 126 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 126 L C 2.562 179.238 176.870 -0.323 0.000 1.076 126 L CA 0.803 55.465 54.840 -0.297 0.000 0.749 126 L CB -0.469 41.329 42.059 -0.435 0.000 0.893 126 L HN 0.248 nan 8.230 nan 0.000 0.432 127 L N -0.687 120.306 121.223 -0.383 0.000 2.093 127 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 127 L C 2.382 179.151 176.870 -0.168 0.000 1.085 127 L CA 1.355 56.016 54.840 -0.298 0.000 0.755 127 L CB -0.485 41.409 42.059 -0.276 0.000 0.904 127 L HN 0.356 nan 8.230 nan 0.000 0.435 128 E N -1.076 119.044 120.200 -0.133 0.000 2.250 128 E HA -0.054 4.295 4.350 -0.001 0.000 0.192 128 E C 0.330 176.883 176.600 -0.077 0.000 0.986 128 E CA 0.183 56.532 56.400 -0.085 0.000 0.849 128 E CB 0.283 29.946 29.700 -0.062 0.000 0.797 128 E HN 0.230 nan 8.360 nan 0.000 0.482 129 D N 0.623 120.969 120.400 -0.091 0.000 2.492 129 D HA 0.059 4.698 4.640 -0.001 0.000 0.248 129 D C -0.146 176.100 176.300 -0.089 0.000 1.101 129 D CA -0.288 53.667 54.000 -0.075 0.000 0.840 129 D CB 1.553 42.315 40.800 -0.064 0.000 1.209 129 D HN -0.031 nan 8.370 nan 0.000 0.524 130 T N 0.540 115.050 114.554 -0.073 0.000 3.252 130 T HA 0.228 4.578 4.350 -0.001 0.000 0.286 130 T C 1.060 175.729 174.700 -0.052 0.000 1.013 130 T CA 0.248 62.304 62.100 -0.073 0.000 0.914 130 T CB -0.323 68.506 68.868 -0.066 0.000 1.131 130 T HN 0.206 nan 8.240 nan 0.000 0.529 131 V N -3.173 116.715 119.914 -0.043 0.000 3.305 131 V HA 0.388 4.507 4.120 -0.001 0.000 0.247 131 V C 0.604 176.688 176.094 -0.017 0.000 1.426 131 V CA -0.032 62.252 62.300 -0.026 0.000 1.162 131 V CB -0.239 31.571 31.823 -0.021 0.000 0.961 131 V HN 0.291 nan 8.190 nan 0.000 0.449 132 T N 4.655 119.196 114.554 -0.021 0.000 2.751 132 T HA 0.336 4.685 4.350 -0.001 0.000 0.290 132 T C -2.458 172.240 174.700 -0.003 0.000 0.919 132 T CA -0.280 61.816 62.100 -0.007 0.000 1.136 132 T CB 0.623 69.486 68.868 -0.009 0.000 0.875 132 T HN 0.353 nan 8.240 nan 0.000 0.532 133 P HA 0.091 nan 4.420 nan 0.000 0.264 133 P C -0.240 177.062 177.300 0.004 0.000 1.183 133 P CA 0.069 63.185 63.100 0.026 0.000 0.763 133 P CB 0.349 32.107 31.700 0.097 0.000 0.807 134 I N 2.445 123.001 120.570 -0.023 0.000 2.365 134 I HA 0.148 4.317 4.170 -0.001 0.000 0.291 134 I C 0.887 176.993 176.117 -0.018 0.000 1.004 134 I CA -0.535 60.755 61.300 -0.017 0.000 1.311 134 I CB 0.915 38.894 38.000 -0.035 0.000 1.401 134 I HN 0.325 nan 8.210 nan 0.000 0.491 135 D N 4.486 124.891 120.400 0.009 0.000 2.423 135 D HA 0.157 4.796 4.640 -0.001 0.000 0.238 135 D C -0.310 175.967 176.300 -0.038 0.000 1.142 135 D CA 0.427 54.421 54.000 -0.010 0.000 0.884 135 D CB 0.774 41.586 40.800 0.020 0.000 1.199 135 D HN 0.634 nan 8.370 nan 0.000 0.438 136 T N -0.682 113.819 114.554 -0.088 0.000 2.896 136 T HA 0.607 4.956 4.350 -0.001 0.000 0.297 136 T C -0.470 174.086 174.700 -0.241 0.000 1.108 136 T CA -0.987 61.024 62.100 -0.148 0.000 1.004 136 T CB 1.582 70.386 68.868 -0.108 0.000 1.159 136 T HN 0.218 nan 8.240 nan 0.000 0.499 137 T N 2.158 116.416 114.554 -0.493 0.000 2.824 137 T HA 0.624 4.974 4.350 -0.001 0.000 0.280 137 T C -0.480 173.931 174.700 -0.481 0.000 0.995 137 T CA -0.638 61.131 62.100 -0.553 0.000 1.009 137 T CB 0.902 69.237 68.868 -0.889 0.000 0.955 137 T HN 0.755 nan 8.240 nan 0.000 0.452 138 I N 3.927 124.382 120.570 -0.191 0.000 2.378 138 I HA 0.555 4.725 4.170 -0.001 0.000 0.291 138 I C -1.058 175.072 176.117 0.022 0.000 0.992 138 I CA -0.805 60.478 61.300 -0.028 0.000 1.154 138 I CB 0.722 38.762 38.000 0.066 0.000 1.315 138 I HN 0.419 nan 8.210 nan 0.000 0.448 139 M N 6.141 125.808 119.600 0.112 0.000 2.619 139 M HA 0.549 5.028 4.480 -0.001 0.000 0.297 139 M C -0.694 175.669 176.300 0.107 0.000 1.229 139 M CA -0.633 54.743 55.300 0.127 0.000 0.860 139 M CB 1.870 34.610 32.600 0.233 0.000 1.741 139 M HN 0.599 nan 8.290 nan 0.000 0.462 140 A N 1.728 124.591 122.820 0.072 0.000 2.290 140 A HA 0.569 4.889 4.320 -0.001 0.000 0.310 140 A C -0.201 177.419 177.584 0.060 0.000 1.202 140 A CA -0.590 51.481 52.037 0.057 0.000 0.837 140 A CB 0.485 19.504 19.000 0.032 0.000 1.139 140 A HN 0.761 nan 8.150 nan 0.000 0.509 141 K N 1.597 122.034 120.400 0.062 0.000 2.295 141 K HA 0.127 4.446 4.320 -0.001 0.000 0.270 141 K C -0.664 175.941 176.600 0.008 0.000 1.011 141 K CA 0.144 56.453 56.287 0.037 0.000 0.953 141 K CB 0.515 33.044 32.500 0.049 0.000 0.956 141 K HN 0.753 nan 8.250 nan 0.000 0.477 142 N N 2.460 121.132 118.700 -0.047 0.000 2.546 142 N HA 0.112 4.852 4.740 -0.001 0.000 0.238 142 N C -1.339 174.037 175.510 -0.223 0.000 0.984 142 N CA -0.333 52.650 53.050 -0.111 0.000 0.935 142 N CB 1.051 39.467 38.487 -0.119 0.000 1.122 142 N HN 0.381 nan 8.380 nan 0.000 0.510 143 E N 0.904 120.958 120.200 -0.243 0.000 2.288 143 E HA 0.433 4.782 4.350 -0.001 0.000 0.268 143 E C -0.862 175.313 176.600 -0.708 0.000 0.885 143 E CA -0.979 55.153 56.400 -0.447 0.000 0.767 143 E CB 2.597 32.088 29.700 -0.349 0.000 1.220 143 E HN 0.086 nan 8.360 nan 0.000 0.427 144 V N 3.338 122.711 119.914 -0.903 0.000 2.439 144 V HA 0.465 4.585 4.120 -0.001 0.000 0.282 144 V C -0.741 174.727 176.094 -1.043 0.000 1.039 144 V CA -0.195 61.595 62.300 -0.849 0.000 0.913 144 V CB 0.103 31.582 31.823 -0.573 0.000 0.983 144 V HN 0.513 nan 8.190 nan 0.000 0.460 145 F N 2.132 121.751 119.950 -0.552 0.000 2.692 145 F HA 0.595 5.122 4.527 -0.001 0.000 0.320 145 F C -0.004 175.618 175.800 -0.297 0.000 1.123 145 F CA -0.812 56.945 58.000 -0.404 0.000 0.961 145 F CB 1.311 40.075 39.000 -0.393 0.000 1.383 145 F HN 0.487 nan 8.300 nan 0.000 0.483 146 C N 3.015 122.434 119.300 0.198 0.000 2.329 146 C HA 0.797 5.257 4.460 -0.001 0.000 0.329 146 C C 0.141 175.350 174.990 0.365 0.000 1.275 146 C CA -0.658 58.502 59.018 0.237 0.000 1.726 146 C CB -0.304 27.525 27.740 0.149 0.000 2.291 146 C HN 0.693 nan 8.230 nan 0.000 0.514 147 V N 4.774 124.937 119.914 0.415 0.000 3.432 147 V HA 0.439 4.558 4.120 -0.001 0.000 0.304 147 V C 0.077 176.257 176.094 0.143 0.000 1.107 147 V CA 0.080 62.553 62.300 0.288 0.000 1.153 147 V CB 0.112 32.016 31.823 0.135 0.000 1.072 147 V HN 1.257 nan 8.190 nan 0.000 0.485 155 K N 2.247 122.657 120.400 0.017 0.000 2.174 155 K HA 0.495 4.814 4.320 -0.001 0.000 0.275 155 K C -2.250 174.379 176.600 0.048 0.000 1.015 155 K CA -1.602 54.666 56.287 -0.030 0.000 0.933 155 K CB 1.166 33.550 32.500 -0.193 0.000 1.025 155 K HN 0.197 nan 8.250 nan 0.000 0.463 156 P HA 0.039 nan 4.420 nan 0.000 0.274 156 P C -0.600 176.748 177.300 0.081 0.000 1.246 156 P CA -0.464 62.663 63.100 0.045 0.000 0.795 156 P CB 0.783 32.489 31.700 0.011 0.000 1.006 157 A N 2.839 125.713 122.820 0.090 0.000 2.498 157 A HA 0.093 4.412 4.320 -0.001 0.000 0.239 157 A C 0.715 178.351 177.584 0.086 0.000 1.068 157 A CA -0.020 52.080 52.037 0.106 0.000 0.766 157 A CB -0.315 18.731 19.000 0.077 0.000 1.003 157 A HN 0.459 nan 8.150 nan 0.000 0.497 158 R N 0.492 121.061 120.500 0.114 0.000 2.560 158 R HA 0.408 4.747 4.340 -0.001 0.000 0.270 158 R C -0.808 175.549 176.300 0.096 0.000 1.074 158 R CA -0.677 55.489 56.100 0.111 0.000 1.140 158 R CB 0.344 30.726 30.300 0.138 0.000 1.073 158 R HN 0.502 nan 8.270 nan 0.000 0.527 159 L N 1.878 123.162 121.223 0.103 0.000 2.352 159 L HA 0.517 4.856 4.340 -0.001 0.000 0.269 159 L C -0.314 176.645 176.870 0.148 0.000 1.034 159 L CA -0.686 54.218 54.840 0.107 0.000 0.806 159 L CB 1.128 43.240 42.059 0.088 0.000 1.244 159 L HN 0.494 nan 8.230 nan 0.000 0.447 160 I N 1.234 121.910 120.570 0.177 0.000 2.499 160 I HA 0.580 4.749 4.170 -0.001 0.000 0.288 160 I C -1.233 175.064 176.117 0.300 0.000 1.048 160 I CA -0.309 61.133 61.300 0.236 0.000 1.062 160 I CB 1.946 40.084 38.000 0.231 0.000 1.238 160 I HN 0.174 nan 8.210 nan 0.000 0.426 161 V N 8.765 128.852 119.914 0.287 0.000 2.444 161 V HA 0.631 4.751 4.120 -0.001 0.000 0.294 161 V C -0.847 175.423 176.094 0.292 0.000 1.022 161 V CA -0.460 61.961 62.300 0.202 0.000 0.850 161 V CB 1.199 33.121 31.823 0.165 0.000 0.992 161 V HN 0.589 nan 8.190 nan 0.000 0.426 162 F N 5.049 125.043 119.950 0.073 0.000 2.608 162 F HA 0.890 5.416 4.527 -0.001 0.000 0.309 162 F C -3.064 172.775 175.800 0.065 0.000 1.103 162 F CA -2.610 55.435 58.000 0.074 0.000 0.954 162 F CB 1.741 40.779 39.000 0.064 0.000 1.267 162 F HN 0.305 nan 8.300 nan 0.000 0.444 163 P HA 0.146 nan 4.420 nan 0.000 0.276 163 P C -0.899 176.545 177.300 0.241 0.000 1.261 163 P CA -0.092 63.097 63.100 0.149 0.000 0.800 163 P CB 1.316 33.101 31.700 0.141 0.000 1.066 164 D N -0.344 120.173 120.400 0.195 0.000 2.390 164 D HA -0.082 4.557 4.640 -0.001 0.000 0.236 164 D C 1.372 177.821 176.300 0.249 0.000 1.189 164 D CA -0.266 53.877 54.000 0.239 0.000 0.887 164 D CB 0.272 41.268 40.800 0.327 0.000 1.198 164 D HN 0.105 nan 8.370 nan 0.000 0.444 165 L N 3.215 124.564 121.223 0.210 0.000 2.081 165 L HA -0.026 4.313 4.340 -0.001 0.000 0.212 165 L C 2.055 179.084 176.870 0.265 0.000 1.080 165 L CA 2.573 57.525 54.840 0.187 0.000 0.754 165 L CB -1.111 41.008 42.059 0.101 0.000 0.893 165 L HN 0.669 nan 8.230 nan 0.000 0.433 166 G N -1.406 107.627 108.800 0.388 0.000 2.422 166 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.218 166 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.218 166 G C 1.540 176.547 174.900 0.178 0.000 1.146 166 G CA 1.007 46.331 45.100 0.374 0.000 0.769 166 G HN 0.355 nan 8.290 nan 0.000 0.547 167 V N 0.629 120.648 119.914 0.174 0.000 2.427 167 V HA -0.133 3.986 4.120 -0.001 0.000 0.248 167 V C 2.914 179.088 176.094 0.134 0.000 1.051 167 V CA 1.779 64.153 62.300 0.122 0.000 1.048 167 V CB -0.412 31.477 31.823 0.111 0.000 0.666 167 V HN 0.329 nan 8.190 nan 0.000 0.456 168 R N -0.430 120.160 120.500 0.150 0.000 2.092 168 R HA -0.097 4.243 4.340 -0.001 0.000 0.231 168 R C 2.220 178.580 176.300 0.100 0.000 1.119 168 R CA 1.253 57.432 56.100 0.132 0.000 0.970 168 R CB -0.520 29.851 30.300 0.118 0.000 0.864 168 R HN 0.405 nan 8.270 nan 0.000 0.440 169 V N 0.373 120.342 119.914 0.092 0.000 2.358 169 V HA -0.281 3.838 4.120 -0.001 0.000 0.246 169 V C 2.427 178.546 176.094 0.042 0.000 1.047 169 V CA 1.486 63.809 62.300 0.038 0.000 1.035 169 V CB -0.384 31.455 31.823 0.026 0.000 0.658 169 V HN 0.452 nan 8.190 nan 0.000 0.452 170 C N -0.195 119.169 119.300 0.107 0.000 2.422 170 C HA -0.130 4.329 4.460 -0.001 0.000 0.279 170 C C 2.647 177.799 174.990 0.270 0.000 1.305 170 C CA 0.837 59.994 59.018 0.232 0.000 1.757 170 C CB -0.977 26.954 27.740 0.318 0.000 1.962 170 C HN 0.617 nan 8.230 nan 0.000 0.499 171 E N 0.747 121.060 120.200 0.189 0.000 2.077 171 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 171 E C 2.152 178.861 176.600 0.181 0.000 0.989 171 E CA 1.135 57.655 56.400 0.200 0.000 0.800 171 E CB -0.090 29.734 29.700 0.206 0.000 0.746 171 E HN 0.637 nan 8.360 nan 0.000 0.452 172 K N 0.377 120.854 120.400 0.127 0.000 2.026 172 K HA -0.116 4.203 4.320 -0.001 0.000 0.208 172 K C 2.208 178.861 176.600 0.089 0.000 1.048 172 K CA 1.437 57.784 56.287 0.101 0.000 0.929 172 K CB -0.133 32.350 32.500 -0.029 0.000 0.713 172 K HN 0.105 nan 8.250 nan 0.000 0.439 173 M N 0.358 119.968 119.600 0.017 0.000 2.080 173 M HA -0.184 4.295 4.480 -0.001 0.000 0.260 173 M C 2.399 178.743 176.300 0.074 0.000 1.068 173 M CA 1.830 57.081 55.300 -0.082 0.000 1.109 173 M CB -0.371 31.978 32.600 -0.417 0.000 1.342 173 M HN 0.238 nan 8.290 nan 0.000 0.405 174 A N -0.807 122.180 122.820 0.278 0.000 2.072 174 A HA 0.128 4.447 4.320 -0.001 0.000 0.216 174 A C 1.745 179.425 177.584 0.160 0.000 1.156 174 A CA 0.927 53.160 52.037 0.327 0.000 0.701 174 A CB -0.073 19.158 19.000 0.386 0.000 0.816 174 A HN 0.509 nan 8.150 nan 0.000 0.458 175 L N -3.335 117.968 121.223 0.133 0.000 3.360 175 L HA 0.193 4.533 4.340 -0.001 0.000 0.303 175 L C 1.674 178.587 176.870 0.071 0.000 1.218 175 L CA -0.021 54.846 54.840 0.044 0.000 1.059 175 L CB 0.060 42.104 42.059 -0.025 0.000 1.468 175 L HN 0.380 nan 8.230 nan 0.000 0.614 176 Y N 1.632 121.946 120.300 0.023 0.000 2.128 176 Y HA -0.330 4.220 4.550 -0.001 0.000 0.284 176 Y C 2.190 178.122 175.900 0.053 0.000 1.154 176 Y CA 2.311 60.439 58.100 0.047 0.000 1.149 176 Y CB 0.083 38.557 38.460 0.023 0.000 0.976 176 Y HN 0.247 nan 8.280 nan 0.000 0.505 177 D N -0.728 119.696 120.400 0.039 0.000 2.097 177 D HA -0.180 4.459 4.640 -0.001 0.000 0.195 177 D C 2.270 178.506 176.300 -0.107 0.000 0.989 177 D CA 1.680 55.650 54.000 -0.049 0.000 0.827 177 D CB -0.324 40.496 40.800 0.033 0.000 0.966 177 D HN 0.237 nan 8.370 nan 0.000 0.456 178 V N 0.528 120.395 119.914 -0.079 0.000 2.255 178 V HA -0.252 3.867 4.120 -0.001 0.000 0.247 178 V C 2.682 178.689 176.094 -0.146 0.000 1.051 178 V CA 1.970 64.209 62.300 -0.101 0.000 1.018 178 V CB -0.764 30.982 31.823 -0.128 0.000 0.641 178 V HN 0.360 nan 8.190 nan 0.000 0.445 179 V N -2.822 116.986 119.914 -0.176 0.000 2.970 179 V HA -0.071 4.048 4.120 -0.001 0.000 0.260 179 V C 2.013 177.972 176.094 -0.225 0.000 1.100 179 V CA 1.999 64.189 62.300 -0.183 0.000 1.122 179 V CB -0.294 31.443 31.823 -0.143 0.000 0.721 179 V HN 0.446 nan 8.190 nan 0.000 0.483 180 S N 0.953 116.508 115.700 -0.241 0.000 2.458 180 S HA -0.023 4.447 4.470 -0.001 0.000 0.223 180 S C 1.927 176.435 174.600 -0.153 0.000 1.019 180 S CA 1.400 59.470 58.200 -0.216 0.000 0.937 180 S CB 0.064 63.062 63.200 -0.337 0.000 0.788 180 S HN 0.944 nan 8.310 nan 0.000 0.511 181 T N -0.990 113.471 114.554 -0.156 0.000 2.964 181 T HA 0.288 4.637 4.350 -0.001 0.000 0.249 181 T C 1.643 176.244 174.700 -0.166 0.000 1.000 181 T CA -0.170 61.852 62.100 -0.130 0.000 0.992 181 T CB -0.444 68.373 68.868 -0.085 0.000 1.087 181 T HN 0.245 nan 8.240 nan 0.000 0.489 182 L N 1.756 122.878 121.223 -0.169 0.000 2.093 182 L HA 0.162 4.502 4.340 -0.001 0.000 0.208 182 L C -0.928 175.773 176.870 -0.281 0.000 1.085 182 L CA 1.074 55.815 54.840 -0.165 0.000 0.755 182 L CB -0.870 41.145 42.059 -0.074 0.000 0.904 182 L HN 0.148 nan 8.230 nan 0.000 0.435 183 P HA -0.231 nan 4.420 nan 0.000 0.215 183 P C 1.400 178.231 177.300 -0.782 0.000 1.157 183 P CA 1.302 63.926 63.100 -0.794 0.000 0.868 183 P CB -0.163 30.621 31.700 -1.527 0.000 0.788 184 Q N -0.029 119.374 119.800 -0.661 0.000 2.167 184 Q HA -0.084 4.256 4.340 -0.001 0.000 0.202 184 Q C 1.944 177.813 176.000 -0.218 0.000 0.970 184 Q CA 1.308 56.920 55.803 -0.318 0.000 0.855 184 Q CB -0.670 27.987 28.738 -0.135 0.000 0.911 184 Q HN 0.080 nan 8.270 nan 0.000 0.438 185 V N 0.049 119.840 119.914 -0.205 0.000 2.453 185 V HA -0.178 3.942 4.120 -0.001 0.000 0.247 185 V C 2.427 178.431 176.094 -0.149 0.000 1.048 185 V CA 1.234 63.450 62.300 -0.139 0.000 1.049 185 V CB -0.191 31.567 31.823 -0.108 0.000 0.672 185 V HN 0.125 nan 8.190 nan 0.000 0.457 186 V N -0.832 118.959 119.914 -0.206 0.000 2.488 186 V HA -0.130 3.989 4.120 -0.001 0.000 0.246 186 V C 1.998 177.924 176.094 -0.280 0.000 1.046 186 V CA 1.912 64.087 62.300 -0.208 0.000 1.053 186 V CB -0.346 31.338 31.823 -0.230 0.000 0.679 186 V HN 0.461 nan 8.190 nan 0.000 0.458 187 M N -1.190 118.178 119.600 -0.387 0.000 2.337 187 M HA 0.368 4.847 4.480 -0.001 0.000 0.256 187 M C 1.441 177.614 176.300 -0.212 0.000 1.075 187 M CA 0.732 55.729 55.300 -0.506 0.000 1.024 187 M CB 0.522 32.698 32.600 -0.707 0.000 1.429 187 M HN 0.457 nan 8.290 nan 0.000 0.497 188 G N 1.612 110.321 108.800 -0.152 0.000 2.596 188 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.295 188 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.295 188 G C 0.803 175.643 174.900 -0.100 0.000 1.240 188 G CA 0.816 45.866 45.100 -0.083 0.000 0.985 188 G HN 0.538 nan 8.290 nan 0.000 0.555 189 S N -0.701 114.956 115.700 -0.071 0.000 2.500 189 S HA 0.049 4.518 4.470 -0.001 0.000 0.239 189 S C 2.148 176.515 174.600 -0.388 0.000 0.989 189 S CA 2.004 60.084 58.200 -0.201 0.000 0.951 189 S CB -0.112 63.058 63.200 -0.049 0.000 0.759 189 S HN 1.017 nan 8.310 nan 0.000 0.523 190 S N 0.150 115.776 115.700 -0.123 0.000 2.522 190 S HA 0.144 4.613 4.470 -0.001 0.000 0.227 190 S C 0.153 174.711 174.600 -0.071 0.000 0.986 190 S CA -0.180 58.008 58.200 -0.020 0.000 0.929 190 S CB -0.369 62.954 63.200 0.205 0.000 0.769 190 S HN 0.705 nan 8.310 nan 0.000 0.529 191 Y N 2.901 123.020 120.300 -0.302 0.000 2.539 191 Y HA 0.458 5.007 4.550 -0.001 0.000 0.352 191 Y C 1.272 176.917 175.900 -0.425 0.000 1.004 191 Y CA -1.478 56.422 58.100 -0.333 0.000 1.278 191 Y CB -0.052 38.221 38.460 -0.313 0.000 1.136 191 Y HN 0.068 nan 8.280 nan 0.000 0.528 192 G N 4.483 112.831 108.800 -0.753 0.000 2.432 192 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.219 192 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.219 192 G C 1.079 175.423 174.900 -0.927 0.000 1.135 192 G CA 0.368 45.029 45.100 -0.732 0.000 0.767 192 G HN 0.645 nan 8.290 nan 0.000 0.550 193 F N 1.424 120.650 119.950 -1.207 0.000 2.771 193 F HA 0.035 4.561 4.527 -0.001 0.000 0.299 193 F C 2.784 178.346 175.800 -0.398 0.000 1.177 193 F CA 0.876 58.312 58.000 -0.940 0.000 1.450 193 F CB -0.160 38.300 39.000 -0.899 0.000 1.114 193 F HN 0.389 nan 8.300 nan 0.000 0.587 194 Q N -0.794 118.754 119.800 -0.420 0.000 2.451 194 Q HA -0.053 4.286 4.340 -0.001 0.000 0.206 194 Q C -0.624 175.281 176.000 -0.157 0.000 0.947 194 Q CA 0.630 56.307 55.803 -0.209 0.000 0.937 194 Q CB -0.254 28.276 28.738 -0.347 0.000 1.025 194 Q HN 0.289 nan 8.270 nan 0.000 0.511 195 Y N 1.679 122.015 120.300 0.061 0.000 2.387 195 Y HA 0.334 4.884 4.550 -0.001 0.000 0.336 195 Y C 0.590 176.410 175.900 -0.134 0.000 1.067 195 Y CA -1.378 56.712 58.100 -0.016 0.000 1.114 195 Y CB 1.530 39.936 38.460 -0.090 0.000 1.208 195 Y HN 0.087 nan 8.280 nan 0.000 0.458 196 S N 2.137 117.641 115.700 -0.327 0.000 2.624 196 S HA 0.277 4.747 4.470 -0.001 0.000 0.263 196 S C -2.050 172.246 174.600 -0.507 0.000 1.287 196 S CA -1.090 56.383 58.200 -1.211 0.000 0.990 196 S CB 1.250 63.845 63.200 -1.008 0.000 0.950 196 S HN 0.410 nan 8.310 nan 0.000 0.561 197 P HA -0.025 nan 4.420 nan 0.000 0.216 197 P C 1.724 178.968 177.300 -0.094 0.000 1.153 197 P CA 1.755 64.757 63.100 -0.163 0.000 0.858 197 P CB -0.514 31.132 31.700 -0.089 0.000 0.789 198 G N -0.301 108.427 108.800 -0.121 0.000 2.421 198 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.216 198 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.216 198 G C 1.505 176.354 174.900 -0.085 0.000 1.171 198 G CA 0.629 45.697 45.100 -0.054 0.000 0.775 198 G HN 0.307 nan 8.290 nan 0.000 0.543 199 Q N -0.449 119.281 119.800 -0.115 0.000 2.170 199 Q HA -0.030 4.309 4.340 -0.001 0.000 0.203 199 Q C 2.561 178.369 176.000 -0.319 0.000 0.976 199 Q CA 0.989 56.720 55.803 -0.121 0.000 0.858 199 Q CB -0.129 28.631 28.738 0.037 0.000 0.907 199 Q HN 0.485 nan 8.270 nan 0.000 0.433 200 R N 0.363 120.719 120.500 -0.240 0.000 2.075 200 R HA -0.118 4.221 4.340 -0.001 0.000 0.232 200 R C 2.065 178.260 176.300 -0.176 0.000 1.126 200 R CA 1.133 57.068 56.100 -0.274 0.000 0.963 200 R CB -0.121 30.149 30.300 -0.051 0.000 0.858 200 R HN 0.097 nan 8.270 nan 0.000 0.435 201 V N 1.538 121.385 119.914 -0.112 0.000 2.343 201 V HA -0.250 3.869 4.120 -0.001 0.000 0.247 201 V C 2.362 178.380 176.094 -0.128 0.000 1.051 201 V CA 2.279 64.520 62.300 -0.098 0.000 1.036 201 V CB -0.565 31.238 31.823 -0.034 0.000 0.654 201 V HN 0.510 nan 8.190 nan 0.000 0.451 202 E N -0.491 119.643 120.200 -0.110 0.000 2.077 202 E HA -0.276 4.073 4.350 -0.001 0.000 0.193 202 E C 2.105 178.635 176.600 -0.116 0.000 0.989 202 E CA 1.653 57.995 56.400 -0.097 0.000 0.800 202 E CB -0.222 29.441 29.700 -0.063 0.000 0.746 202 E HN 0.546 nan 8.360 nan 0.000 0.452 203 F N 1.147 120.898 119.950 -0.332 0.000 2.113 203 F HA -0.118 4.409 4.527 -0.001 0.000 0.297 203 F C 1.886 177.571 175.800 -0.192 0.000 1.103 203 F CA 1.292 59.101 58.000 -0.318 0.000 1.248 203 F CB -0.263 38.388 39.000 -0.583 0.000 0.999 203 F HN 0.008 nan 8.300 nan 0.000 0.475 204 L N -0.804 120.271 121.223 -0.246 0.000 1.994 204 L HA -0.243 4.096 4.340 -0.001 0.000 0.208 204 L C 2.419 179.142 176.870 -0.246 0.000 1.071 204 L CA 1.291 55.976 54.840 -0.259 0.000 0.745 204 L CB -0.999 40.963 42.059 -0.162 0.000 0.892 204 L HN -0.017 nan 8.230 nan 0.000 0.431 205 V N 0.164 119.922 119.914 -0.260 0.000 2.287 205 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 205 V C 2.252 178.243 176.094 -0.171 0.000 1.053 205 V CA 1.999 64.135 62.300 -0.273 0.000 1.027 205 V CB -0.707 30.863 31.823 -0.422 0.000 0.646 205 V HN 0.484 nan 8.190 nan 0.000 0.447 206 N N -0.043 118.541 118.700 -0.194 0.000 2.166 206 N HA -0.135 4.604 4.740 -0.001 0.000 0.186 206 N C 1.904 177.301 175.510 -0.189 0.000 1.019 206 N CA 1.914 54.870 53.050 -0.157 0.000 0.856 206 N CB -0.647 37.763 38.487 -0.128 0.000 0.993 206 N HN 0.472 nan 8.380 nan 0.000 0.426 207 T N 0.496 114.849 114.554 -0.334 0.000 2.708 207 T HA -0.141 4.209 4.350 -0.001 0.000 0.266 207 T C 1.501 176.109 174.700 -0.154 0.000 1.037 207 T CA 0.654 62.550 62.100 -0.339 0.000 1.146 207 T CB -0.235 68.281 68.868 -0.585 0.000 0.865 207 T HN 0.420 nan 8.240 nan 0.000 0.435 208 W N 2.356 123.493 121.300 -0.270 0.000 2.335 208 W HA -0.135 4.523 4.660 -0.003 0.000 0.311 208 W C 1.833 178.263 176.519 -0.148 0.000 1.213 208 W CA 1.325 58.554 57.345 -0.193 0.000 1.274 208 W CB -0.216 29.123 29.460 -0.201 0.000 1.148 208 W HN 0.263 nan 8.180 nan 0.000 0.498 209 K N 0.242 120.658 120.400 0.027 0.000 2.283 209 K HA -0.141 4.178 4.320 -0.001 0.000 0.202 209 K C 2.093 178.639 176.600 -0.090 0.000 1.048 209 K CA 1.665 57.935 56.287 -0.028 0.000 0.948 209 K CB -0.358 32.139 32.500 -0.005 0.000 0.742 209 K HN 0.074 nan 8.250 nan 0.000 0.458 210 S N 0.453 116.086 115.700 -0.111 0.000 2.561 210 S HA 0.013 4.483 4.470 -0.001 0.000 0.225 210 S C 0.476 174.998 174.600 -0.129 0.000 0.977 210 S CA 0.238 58.375 58.200 -0.105 0.000 0.926 210 S CB 0.064 63.204 63.200 -0.100 0.000 0.769 210 S HN -0.045 nan 8.310 nan 0.000 0.533 211 K N 1.810 122.093 120.400 -0.195 0.000 2.143 211 K HA 0.397 4.717 4.320 -0.001 0.000 0.272 211 K C 0.576 177.061 176.600 -0.192 0.000 1.001 211 K CA -0.438 55.722 56.287 -0.212 0.000 0.915 211 K CB 1.154 33.466 32.500 -0.313 0.000 1.047 211 K HN 0.130 nan 8.250 nan 0.000 0.458 212 K N 1.005 121.321 120.400 -0.139 0.000 2.025 212 K HA -0.041 4.278 4.320 -0.001 0.000 0.207 212 K C 0.164 176.688 176.600 -0.127 0.000 1.049 212 K CA 1.132 57.355 56.287 -0.108 0.000 0.933 212 K CB 0.158 32.613 32.500 -0.075 0.000 0.714 212 K HN 0.422 nan 8.250 nan 0.000 0.438 213 N N 1.122 119.734 118.700 -0.147 0.000 2.716 213 N HA 0.193 4.933 4.740 -0.001 0.000 0.253 213 N C -2.853 172.525 175.510 -0.220 0.000 1.170 213 N CA -1.105 51.859 53.050 -0.144 0.000 0.807 213 N CB 1.797 40.236 38.487 -0.080 0.000 1.183 213 N HN 0.037 nan 8.380 nan 0.000 0.524 214 P HA 0.124 nan 4.420 nan 0.000 0.271 214 P C -0.359 176.615 177.300 -0.543 0.000 1.218 214 P CA -0.228 62.411 63.100 -0.769 0.000 0.780 214 P CB 1.240 31.869 31.700 -1.785 0.000 0.901 215 M N 2.230 121.587 119.600 -0.405 0.000 2.371 215 M HA 0.623 5.103 4.480 -0.001 0.000 0.287 215 M C -1.450 174.802 176.300 -0.079 0.000 1.149 215 M CA -0.256 54.921 55.300 -0.205 0.000 0.929 215 M CB 2.297 34.852 32.600 -0.076 0.000 1.683 215 M HN 0.587 nan 8.290 nan 0.000 0.470 216 G N 3.714 112.567 108.800 0.088 0.000 2.672 216 G HA2 0.868 4.827 3.960 -0.001 0.000 0.292 216 G HA3 0.868 4.827 3.960 -0.001 0.000 0.292 216 G C -2.045 172.972 174.900 0.195 0.000 1.375 216 G CA -0.651 44.543 45.100 0.157 0.000 0.890 216 G HN 0.881 nan 8.290 nan 0.000 0.476 217 F N -0.580 119.338 119.950 -0.054 0.000 2.665 217 F HA 0.743 5.271 4.527 0.001 0.000 0.308 217 F C -0.266 175.524 175.800 -0.016 0.000 1.112 217 F CA -1.416 56.551 58.000 -0.055 0.000 0.972 217 F CB 1.179 40.129 39.000 -0.084 0.000 1.295 217 F HN 0.641 nan 8.300 nan 0.000 0.440 218 S N 1.515 117.305 115.700 0.150 0.000 2.585 218 S HA 0.606 5.076 4.470 -0.001 0.000 0.277 218 S C -1.424 173.357 174.600 0.301 0.000 1.241 218 S CA -0.558 57.699 58.200 0.094 0.000 1.041 218 S CB 1.540 64.780 63.200 0.067 0.000 0.987 218 S HN 0.872 nan 8.310 nan 0.000 0.512 219 Y N 1.337 121.729 120.300 0.153 0.000 2.326 219 Y HA 0.425 4.974 4.550 -0.002 0.000 0.331 219 Y C -0.957 175.064 175.900 0.202 0.000 0.962 219 Y CA -0.856 57.410 58.100 0.276 0.000 1.167 219 Y CB 1.363 40.076 38.460 0.422 0.000 1.148 219 Y HN 0.843 nan 8.280 nan 0.000 0.463 220 D N 4.467 124.736 120.400 -0.219 0.000 2.396 220 D HA 0.215 4.854 4.640 -0.001 0.000 0.225 220 D C -0.690 175.482 176.300 -0.213 0.000 1.121 220 D CA 0.013 53.940 54.000 -0.121 0.000 0.853 220 D CB 0.966 41.713 40.800 -0.089 0.000 1.043 220 D HN 0.481 nan 8.370 nan 0.000 0.500 221 T N 3.791 118.409 114.554 0.107 0.000 2.869 221 T HA 0.163 4.512 4.350 -0.001 0.000 0.295 221 T C 0.360 175.166 174.700 0.177 0.000 0.987 221 T CA -0.525 61.719 62.100 0.241 0.000 1.109 221 T CB 0.796 70.025 68.868 0.602 0.000 0.932 221 T HN 0.276 nan 8.240 nan 0.000 0.518 222 R N 2.073 122.638 120.500 0.108 0.000 2.351 222 R HA 0.138 4.477 4.340 -0.001 0.000 0.318 222 R C -0.260 176.160 176.300 0.201 0.000 1.055 222 R CA -0.187 55.968 56.100 0.091 0.000 0.968 222 R CB -0.565 29.726 30.300 -0.015 0.000 0.974 222 R HN 0.964 nan 8.270 nan 0.000 0.439 223 C N 5.673 125.119 119.300 0.243 0.000 3.268 223 C HA -0.171 4.288 4.460 -0.001 0.000 0.277 223 C C 1.439 176.650 174.990 0.369 0.000 1.259 223 C CA 0.104 59.316 59.018 0.323 0.000 2.353 223 C CB -2.884 25.108 27.740 0.420 0.000 1.482 223 C HN 1.007 nan 8.230 nan 0.000 0.513 224 F N 1.888 121.962 119.950 0.207 0.000 2.063 224 F HA -0.205 4.321 4.527 -0.002 0.000 0.298 224 F C 1.972 177.885 175.800 0.189 0.000 1.109 224 F CA 2.475 60.596 58.000 0.201 0.000 1.212 224 F CB -0.041 39.066 39.000 0.177 0.000 0.973 224 F HN 0.494 nan 8.300 nan 0.000 0.480 225 D N -0.307 120.355 120.400 0.437 0.000 2.149 225 D HA -0.193 4.446 4.640 -0.001 0.000 0.194 225 D C 2.450 178.821 176.300 0.117 0.000 1.001 225 D CA 1.819 55.991 54.000 0.287 0.000 0.849 225 D CB -0.628 40.334 40.800 0.270 0.000 0.939 225 D HN 0.256 nan 8.370 nan 0.000 0.449 226 S N -0.651 115.127 115.700 0.131 0.000 2.447 226 S HA -0.107 4.363 4.470 -0.001 0.000 0.233 226 S C 1.961 176.532 174.600 -0.049 0.000 1.006 226 S CA 1.416 59.596 58.200 -0.034 0.000 0.957 226 S CB -0.229 62.923 63.200 -0.080 0.000 0.773 226 S HN 0.538 nan 8.310 nan 0.000 0.507 227 T N -0.727 113.871 114.554 0.073 0.000 3.100 227 T HA 0.169 4.518 4.350 -0.001 0.000 0.253 227 T C 0.534 175.170 174.700 -0.106 0.000 1.118 227 T CA -0.068 62.066 62.100 0.057 0.000 1.058 227 T CB -0.327 68.537 68.868 -0.007 0.000 0.953 227 T HN 0.018 nan 8.240 nan 0.000 0.515 228 V N 4.010 123.828 119.914 -0.159 0.000 2.479 228 V HA 0.343 4.462 4.120 -0.001 0.000 0.281 228 V C 1.155 177.205 176.094 -0.074 0.000 1.031 228 V CA -0.231 61.995 62.300 -0.124 0.000 1.038 228 V CB 0.224 32.013 31.823 -0.057 0.000 0.981 228 V HN 0.724 nan 8.190 nan 0.000 0.478 229 T N 0.853 115.376 114.554 -0.051 0.000 2.884 229 T HA 0.322 4.672 4.350 -0.001 0.000 0.277 229 T C 1.053 175.741 174.700 -0.021 0.000 0.976 229 T CA -0.152 61.924 62.100 -0.040 0.000 0.956 229 T CB 1.457 70.306 68.868 -0.032 0.000 1.113 229 T HN 0.685 nan 8.240 nan 0.000 0.554 230 E N 0.383 120.572 120.200 -0.018 0.000 2.077 230 E HA -0.249 4.100 4.350 -0.001 0.000 0.193 230 E C 1.939 178.543 176.600 0.008 0.000 0.989 230 E CA 1.607 58.008 56.400 0.001 0.000 0.800 230 E CB -0.276 29.424 29.700 -0.001 0.000 0.746 230 E HN 0.772 nan 8.360 nan 0.000 0.452 231 N N 0.561 119.259 118.700 -0.002 0.000 2.069 231 N HA -0.209 4.530 4.740 -0.001 0.000 0.191 231 N C 1.495 177.019 175.510 0.024 0.000 1.031 231 N CA 2.112 55.164 53.050 0.005 0.000 0.852 231 N CB -0.127 38.350 38.487 -0.017 0.000 1.018 231 N HN 0.126 nan 8.380 nan 0.000 0.423 232 D N 0.178 120.591 120.400 0.022 0.000 2.123 232 D HA -0.145 4.495 4.640 -0.001 0.000 0.196 232 D C 1.958 178.273 176.300 0.026 0.000 0.992 232 D CA 1.146 55.170 54.000 0.040 0.000 0.833 232 D CB -0.282 40.534 40.800 0.027 0.000 0.954 232 D HN 0.494 nan 8.370 nan 0.000 0.455 233 I N 0.432 121.020 120.570 0.029 0.000 2.353 233 I HA -0.165 4.005 4.170 -0.001 0.000 0.248 233 I C 2.421 178.560 176.117 0.036 0.000 1.119 233 I CA 0.779 62.106 61.300 0.045 0.000 1.417 233 I CB -0.129 37.917 38.000 0.078 0.000 1.078 233 I HN -0.106 nan 8.210 nan 0.000 0.421 234 R N 0.217 120.734 120.500 0.029 0.000 2.115 234 R HA -0.052 4.287 4.340 -0.001 0.000 0.226 234 R C 2.324 178.613 176.300 -0.019 0.000 1.100 234 R CA 0.880 56.991 56.100 0.019 0.000 0.980 234 R CB -0.269 30.043 30.300 0.020 0.000 0.875 234 R HN 0.213 nan 8.270 nan 0.000 0.445 235 V N 1.303 121.204 119.914 -0.020 0.000 2.358 235 V HA -0.210 3.909 4.120 -0.001 0.000 0.246 235 V C 1.890 177.895 176.094 -0.150 0.000 1.047 235 V CA 1.749 64.020 62.300 -0.048 0.000 1.035 235 V CB -0.345 31.484 31.823 0.011 0.000 0.658 235 V HN 0.314 nan 8.190 nan 0.000 0.452 236 E N -0.222 119.864 120.200 -0.189 0.000 2.085 236 E HA -0.265 4.084 4.350 -0.001 0.000 0.194 236 E C 2.337 178.488 176.600 -0.748 0.000 0.994 236 E CA 1.467 57.600 56.400 -0.446 0.000 0.801 236 E CB -0.166 29.337 29.700 -0.328 0.000 0.743 236 E HN 0.595 nan 8.360 nan 0.000 0.453 237 E N 0.557 120.560 120.200 -0.329 0.000 2.077 237 E HA -0.210 4.140 4.350 -0.001 0.000 0.193 237 E C 2.167 178.699 176.600 -0.114 0.000 0.989 237 E CA 1.525 57.857 56.400 -0.114 0.000 0.800 237 E CB -0.022 29.734 29.700 0.093 0.000 0.746 237 E HN 0.241 nan 8.360 nan 0.000 0.452 238 S N 0.367 116.001 115.700 -0.110 0.000 2.400 238 S HA -0.172 4.297 4.470 -0.001 0.000 0.232 238 S C 2.083 176.625 174.600 -0.098 0.000 1.025 238 S CA 1.187 59.345 58.200 -0.071 0.000 0.993 238 S CB -0.557 62.609 63.200 -0.056 0.000 0.808 238 S HN 0.300 nan 8.310 nan 0.000 0.478 239 I N 0.056 120.505 120.570 -0.202 0.000 2.193 239 I HA -0.109 4.061 4.170 -0.001 0.000 0.240 239 I C 2.380 178.447 176.117 -0.083 0.000 1.084 239 I CA 1.304 62.496 61.300 -0.180 0.000 1.365 239 I CB -0.521 37.323 38.000 -0.261 0.000 1.064 239 I HN 0.212 nan 8.210 nan 0.000 0.410 240 Y N 1.050 121.343 120.300 -0.011 0.000 2.151 240 Y HA -0.268 4.282 4.550 -0.001 0.000 0.284 240 Y C 2.644 178.546 175.900 0.002 0.000 1.166 240 Y CA 0.807 58.904 58.100 -0.005 0.000 1.163 240 Y CB -1.153 37.318 38.460 0.018 0.000 0.974 240 Y HN 0.237 nan 8.280 nan 0.000 0.511 241 Q N -1.160 118.731 119.800 0.151 0.000 2.439 241 Q HA -0.143 4.196 4.340 -0.001 0.000 0.211 241 Q C 2.295 178.325 176.000 0.050 0.000 0.978 241 Q CA 0.966 56.822 55.803 0.089 0.000 0.897 241 Q CB -0.849 27.926 28.738 0.061 0.000 0.956 241 Q HN 0.529 nan 8.270 nan 0.000 0.483 242 C N 0.032 119.353 119.300 0.035 0.000 2.448 242 C HA -0.014 4.445 4.460 -0.001 0.000 0.280 242 C C 1.487 176.490 174.990 0.021 0.000 1.398 242 C CA -0.707 58.319 59.018 0.015 0.000 1.774 242 C CB -0.656 27.081 27.740 -0.006 0.000 1.888 242 C HN 0.408 nan 8.230 nan 0.000 0.519 243 C N 1.871 121.194 119.300 0.039 0.000 2.689 243 C HA 0.136 4.595 4.460 -0.001 0.000 0.409 243 C C 0.548 175.555 174.990 0.029 0.000 1.293 243 C CA -0.352 58.685 59.018 0.032 0.000 2.136 243 C CB -0.166 27.601 27.740 0.044 0.000 2.719 243 C HN 0.500 nan 8.230 nan 0.000 0.644 244 D N 1.989 122.401 120.400 0.020 0.000 2.338 244 D HA 0.404 5.044 4.640 -0.001 0.000 0.255 244 D C -0.640 175.676 176.300 0.027 0.000 1.237 244 D CA 0.394 54.406 54.000 0.020 0.000 0.883 244 D CB 0.076 40.884 40.800 0.014 0.000 1.087 244 D HN 0.408 nan 8.370 nan 0.000 0.485 245 L N 2.081 123.324 121.223 0.033 0.000 2.371 245 L HA 0.640 4.980 4.340 -0.001 0.000 0.262 245 L C 0.364 177.261 176.870 0.044 0.000 1.006 245 L CA -1.399 53.466 54.840 0.043 0.000 0.818 245 L CB 1.867 43.958 42.059 0.053 0.000 1.354 245 L HN 0.334 nan 8.230 nan 0.000 0.415 246 A N 1.867 124.720 122.820 0.054 0.000 2.386 246 A HA 0.395 4.714 4.320 -0.001 0.000 0.248 246 A C -1.865 175.757 177.584 0.062 0.000 1.082 246 A CA -0.929 51.142 52.037 0.057 0.000 0.789 246 A CB -0.003 19.038 19.000 0.069 0.000 1.025 246 A HN 0.623 nan 8.150 nan 0.000 0.490 247 P HA -0.165 nan 4.420 nan 0.000 0.216 247 P C 1.127 178.457 177.300 0.050 0.000 1.150 247 P CA 1.601 64.726 63.100 0.043 0.000 0.843 247 P CB 0.228 31.949 31.700 0.035 0.000 0.787 248 E N -0.998 119.257 120.200 0.091 0.000 2.150 248 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 248 E C 2.006 178.681 176.600 0.124 0.000 0.985 248 E CA 0.924 57.400 56.400 0.126 0.000 0.814 248 E CB -0.359 29.512 29.700 0.286 0.000 0.752 248 E HN 0.130 nan 8.360 nan 0.000 0.466 249 A N 1.286 124.201 122.820 0.158 0.000 1.873 249 A HA -0.168 4.152 4.320 -0.001 0.000 0.215 249 A C 2.014 179.636 177.584 0.062 0.000 1.186 249 A CA 1.089 53.218 52.037 0.152 0.000 0.616 249 A CB -0.318 18.767 19.000 0.140 0.000 0.823 249 A HN 0.089 nan 8.150 nan 0.000 0.442 250 R N -0.898 119.630 120.500 0.047 0.000 2.091 250 R HA -0.208 4.132 4.340 -0.001 0.000 0.238 250 R C 2.480 178.775 176.300 -0.008 0.000 1.136 250 R CA 1.769 57.887 56.100 0.030 0.000 0.959 250 R CB -0.315 30.002 30.300 0.028 0.000 0.856 250 R HN 0.680 nan 8.270 nan 0.000 0.437 251 Q N 0.770 120.544 119.800 -0.044 0.000 2.046 251 Q HA -0.077 4.263 4.340 -0.001 0.000 0.200 251 Q C 1.991 177.892 176.000 -0.165 0.000 0.975 251 Q CA 1.922 57.667 55.803 -0.097 0.000 0.836 251 Q CB -0.206 28.461 28.738 -0.118 0.000 0.896 251 Q HN 0.329 nan 8.270 nan 0.000 0.428 252 A N 0.162 122.832 122.820 -0.249 0.000 1.933 252 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 252 A C 2.115 179.594 177.584 -0.176 0.000 1.175 252 A CA 1.424 53.236 52.037 -0.375 0.000 0.628 252 A CB -0.679 17.930 19.000 -0.653 0.000 0.814 252 A HN 0.501 nan 8.150 nan 0.000 0.444 253 I N -0.584 119.952 120.570 -0.056 0.000 2.286 253 I HA -0.229 3.941 4.170 -0.001 0.000 0.245 253 I C 2.528 178.671 176.117 0.044 0.000 1.104 253 I CA 1.730 63.054 61.300 0.039 0.000 1.397 253 I CB -0.202 37.856 38.000 0.098 0.000 1.072 253 I HN 0.414 nan 8.210 nan 0.000 0.417 254 K N 0.531 120.936 120.400 0.009 0.000 2.057 254 K HA -0.207 4.112 4.320 -0.001 0.000 0.207 254 K C 2.307 178.882 176.600 -0.042 0.000 1.049 254 K CA 1.853 58.143 56.287 0.006 0.000 0.931 254 K CB -0.096 32.397 32.500 -0.011 0.000 0.714 254 K HN 0.093 nan 8.250 nan 0.000 0.440 255 S N 0.642 116.282 115.700 -0.099 0.000 2.355 255 S HA -0.049 4.421 4.470 -0.001 0.000 0.222 255 S C 1.936 176.430 174.600 -0.178 0.000 1.031 255 S CA 0.998 59.115 58.200 -0.138 0.000 0.993 255 S CB -0.239 62.847 63.200 -0.191 0.000 0.859 255 S HN 0.364 nan 8.310 nan 0.000 0.453 256 L N 0.779 121.860 121.223 -0.237 0.000 2.083 256 L HA -0.114 4.225 4.340 -0.001 0.000 0.209 256 L C 2.713 179.253 176.870 -0.550 0.000 1.083 256 L CA 1.506 56.077 54.840 -0.448 0.000 0.752 256 L CB -0.935 40.820 42.059 -0.507 0.000 0.899 256 L HN 0.349 nan 8.230 nan 0.000 0.433 257 T N -1.042 113.395 114.554 -0.195 0.000 2.701 257 T HA -0.147 4.202 4.350 -0.001 0.000 0.263 257 T C 1.783 176.482 174.700 -0.001 0.000 1.040 257 T CA 1.152 63.281 62.100 0.048 0.000 1.147 257 T CB -0.095 68.887 68.868 0.191 0.000 0.865 257 T HN 0.300 nan 8.240 nan 0.000 0.426 258 E N 1.182 121.365 120.200 -0.028 0.000 2.106 258 E HA -0.053 4.296 4.350 -0.001 0.000 0.192 258 E C 2.379 178.960 176.600 -0.032 0.000 0.984 258 E CA 0.981 57.371 56.400 -0.018 0.000 0.806 258 E CB -0.143 29.543 29.700 -0.024 0.000 0.750 258 E HN 0.480 nan 8.360 nan 0.000 0.458 259 R N -0.475 119.976 120.500 -0.081 0.000 2.173 259 R HA 0.088 4.427 4.340 -0.001 0.000 0.208 259 R C 1.957 178.199 176.300 -0.096 0.000 1.035 259 R CA 0.390 56.443 56.100 -0.078 0.000 1.004 259 R CB 0.180 30.422 30.300 -0.096 0.000 0.917 259 R HN 0.047 nan 8.270 nan 0.000 0.462 260 L N -1.959 119.162 121.223 -0.170 0.000 2.638 260 L HA 0.182 4.521 4.340 -0.001 0.000 0.195 260 L C 1.366 178.228 176.870 -0.014 0.000 1.065 260 L CA 0.782 55.529 54.840 -0.154 0.000 0.859 260 L CB -0.225 41.669 42.059 -0.275 0.000 1.269 260 L HN -0.122 nan 8.230 nan 0.000 0.484 261 Y N 0.429 120.746 120.300 0.028 0.000 2.181 261 Y HA -0.068 4.481 4.550 -0.001 0.000 0.288 261 Y C 2.546 178.458 175.900 0.020 0.000 1.146 261 Y CA 1.328 59.452 58.100 0.041 0.000 1.164 261 Y CB -0.950 37.558 38.460 0.080 0.000 0.982 261 Y HN 0.126 nan 8.280 nan 0.000 0.515 262 I N -0.942 119.723 120.570 0.157 0.000 2.493 262 I HA -0.053 4.117 4.170 -0.001 0.000 0.254 262 I C 1.225 177.364 176.117 0.038 0.000 1.160 262 I CA 1.276 62.628 61.300 0.086 0.000 1.445 262 I CB -0.439 37.601 38.000 0.067 0.000 1.086 262 I HN 0.321 nan 8.210 nan 0.000 0.433 263 G N -0.858 107.946 108.800 0.005 0.000 2.341 263 G HA2 0.457 4.417 3.960 -0.001 0.000 0.293 263 G HA3 0.457 4.417 3.960 -0.001 0.000 0.293 263 G C -0.930 173.829 174.900 -0.235 0.000 1.298 263 G CA -0.239 44.796 45.100 -0.108 0.000 0.868 263 G HN 0.426 nan 8.290 nan 0.000 0.540 264 G N -0.992 107.372 108.800 -0.727 0.000 2.321 264 G HA2 0.712 4.671 3.960 -0.001 0.000 0.298 264 G HA3 0.712 4.671 3.960 -0.001 0.000 0.298 264 G C -3.442 170.804 174.900 -1.089 0.000 1.385 264 G CA 0.196 44.819 45.100 -0.795 0.000 0.856 264 G HN 0.850 nan 8.290 nan 0.000 0.584 265 P HA 0.437 nan 4.420 nan 0.000 0.271 265 P C -0.550 176.651 177.300 -0.164 0.000 1.218 265 P CA -0.107 62.863 63.100 -0.216 0.000 0.780 265 P CB 1.220 32.931 31.700 0.019 0.000 0.901 266 L N 2.250 123.424 121.223 -0.082 0.000 2.313 266 L HA 0.459 4.798 4.340 -0.001 0.000 0.283 266 L C 0.471 177.341 176.870 0.000 0.000 1.013 266 L CA -0.273 54.546 54.840 -0.034 0.000 0.816 266 L CB 1.742 43.825 42.059 0.041 0.000 1.236 266 L HN 0.285 nan 8.230 nan 0.000 0.419 267 T N 1.523 116.055 114.554 -0.037 0.000 2.824 267 T HA 0.323 4.672 4.350 -0.001 0.000 0.282 267 T C -0.187 174.484 174.700 -0.048 0.000 0.993 267 T CA -0.828 61.252 62.100 -0.033 0.000 0.967 267 T CB 1.426 70.260 68.868 -0.056 0.000 0.960 267 T HN 0.656 nan 8.240 nan 0.000 0.441 268 N N 0.877 119.566 118.700 -0.018 0.000 2.364 268 N HA 0.121 4.860 4.740 -0.001 0.000 0.264 268 N C 1.472 176.960 175.510 -0.036 0.000 1.263 268 N CA -0.282 52.755 53.050 -0.021 0.000 0.959 268 N CB 0.081 38.567 38.487 -0.001 0.000 1.204 268 N HN 0.438 nan 8.380 nan 0.000 0.550 269 S N -1.396 114.291 115.700 -0.021 0.000 2.469 269 S HA -0.093 4.377 4.470 -0.001 0.000 0.238 269 S C 0.843 175.431 174.600 -0.020 0.000 0.998 269 S CA 0.697 58.887 58.200 -0.016 0.000 0.957 269 S CB -0.456 62.748 63.200 0.008 0.000 0.764 269 S HN 0.635 nan 8.310 nan 0.000 0.514 270 K N 0.537 120.927 120.400 -0.017 0.000 2.387 270 K HA 0.330 4.649 4.320 -0.001 0.000 0.198 270 K C 1.158 177.745 176.600 -0.022 0.000 1.022 270 K CA 0.300 56.577 56.287 -0.017 0.000 1.128 270 K CB 0.107 32.602 32.500 -0.009 0.000 0.853 270 K HN 0.487 nan 8.250 nan 0.000 0.523 271 G N 1.642 110.423 108.800 -0.030 0.000 2.179 271 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.260 271 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.260 271 G C -0.150 174.741 174.900 -0.015 0.000 0.977 271 G CA 0.028 45.108 45.100 -0.032 0.000 0.641 271 G HN 0.376 nan 8.290 nan 0.000 0.533 272 Q N 0.180 119.977 119.800 -0.005 0.000 2.259 272 Q HA 0.307 4.647 4.340 -0.001 0.000 0.249 272 Q C 0.445 176.458 176.000 0.022 0.000 0.914 272 Q CA -0.461 55.348 55.803 0.010 0.000 0.904 272 Q CB 0.898 29.645 28.738 0.015 0.000 1.213 272 Q HN 0.444 nan 8.270 nan 0.000 0.428 273 N N 1.624 120.345 118.700 0.034 0.000 2.442 273 N HA 0.015 4.754 4.740 -0.001 0.000 0.265 273 N C -0.248 175.313 175.510 0.084 0.000 1.138 273 N CA -0.393 52.689 53.050 0.052 0.000 0.956 273 N CB 0.575 39.095 38.487 0.055 0.000 1.067 273 N HN 0.587 nan 8.380 nan 0.000 0.474 274 C N 2.884 122.253 119.300 0.115 0.000 2.674 274 C HA 0.434 4.893 4.460 -0.001 0.000 0.276 274 C C 1.177 176.342 174.990 0.293 0.000 1.300 274 C CA 0.497 59.637 59.018 0.204 0.000 1.732 274 C CB -0.905 26.976 27.740 0.235 0.000 2.076 274 C HN 0.965 nan 8.230 nan 0.000 0.548 275 G N -1.369 107.533 108.800 0.170 0.000 2.356 275 G HA2 0.302 4.262 3.960 -0.001 0.000 0.266 275 G HA3 0.302 4.262 3.960 -0.001 0.000 0.266 275 G C -2.181 172.749 174.900 0.050 0.000 1.312 275 G CA -0.434 44.725 45.100 0.099 0.000 0.922 275 G HN 0.004 nan 8.290 nan 0.000 0.480 276 Y N 0.564 120.757 120.300 -0.178 0.000 2.477 276 Y HA 0.780 5.330 4.550 -0.001 0.000 0.347 276 Y C 0.104 175.873 175.900 -0.219 0.000 0.981 276 Y CA -0.890 57.119 58.100 -0.152 0.000 1.033 276 Y CB 2.076 40.457 38.460 -0.131 0.000 1.245 276 Y HN 0.695 nan 8.280 nan 0.000 0.455 277 R N 4.606 124.827 120.500 -0.464 0.000 2.445 277 R HA 0.538 4.877 4.340 -0.001 0.000 0.308 277 R C -0.746 175.364 176.300 -0.317 0.000 0.961 277 R CA -0.578 55.267 56.100 -0.424 0.000 0.862 277 R CB 0.916 31.033 30.300 -0.306 0.000 1.144 277 R HN 0.904 nan 8.270 nan 0.000 0.447 278 R N 3.213 123.515 120.500 -0.330 0.000 2.659 278 R HA 0.210 4.550 4.340 -0.001 0.000 0.418 278 R C -0.403 175.764 176.300 -0.221 0.000 1.076 278 R CA -0.296 55.706 56.100 -0.163 0.000 1.093 278 R CB 0.466 30.710 30.300 -0.093 0.000 1.400 278 R HN 0.757 nan 8.270 nan 0.000 0.583 279 C N -1.553 117.564 119.300 -0.305 0.000 3.308 279 C HA 0.628 5.087 4.460 -0.001 0.000 0.360 279 C C -0.072 174.853 174.990 -0.109 0.000 1.695 279 C CA -1.544 57.339 59.018 -0.225 0.000 1.366 279 C CB 1.326 28.863 27.740 -0.338 0.000 2.121 279 C HN 0.348 nan 8.230 nan 0.000 0.442 280 R N 1.223 121.709 120.500 -0.024 0.000 2.538 280 R HA 0.444 4.783 4.340 -0.001 0.000 0.282 280 R C 0.103 176.456 176.300 0.088 0.000 1.009 280 R CA 1.023 57.160 56.100 0.062 0.000 1.063 280 R CB -0.229 30.149 30.300 0.131 0.000 0.945 280 R HN 1.180 nan 8.270 nan 0.000 0.414 281 A N 3.558 126.444 122.820 0.110 0.000 2.363 281 A HA 0.247 4.567 4.320 -0.001 0.000 0.270 281 A C 0.907 178.589 177.584 0.162 0.000 1.121 281 A CA 0.047 52.170 52.037 0.143 0.000 0.800 281 A CB 0.537 19.634 19.000 0.162 0.000 1.052 281 A HN 1.002 nan 8.150 nan 0.000 0.493 282 S N 1.816 117.626 115.700 0.185 0.000 2.527 282 S HA 0.115 4.585 4.470 -0.001 0.000 0.222 282 S C 1.037 175.734 174.600 0.162 0.000 0.985 282 S CA 0.639 58.944 58.200 0.175 0.000 0.921 282 S CB 0.125 63.437 63.200 0.186 0.000 0.772 282 S HN 1.261 nan 8.310 nan 0.000 0.529 283 G N 1.922 110.839 108.800 0.195 0.000 4.644 283 G HA2 0.525 4.484 3.960 -0.001 0.000 0.307 283 G HA3 0.525 4.484 3.960 -0.001 0.000 0.307 283 G C -0.132 174.887 174.900 0.197 0.000 1.331 283 G CA -0.155 45.059 45.100 0.191 0.000 1.059 283 G HN 0.526 nan 8.290 nan 0.000 0.590 284 V N -2.481 117.536 119.914 0.171 0.000 3.103 284 V HA 0.590 4.709 4.120 -0.001 0.000 0.318 284 V C 1.395 177.562 176.094 0.123 0.000 1.114 284 V CA -0.946 61.471 62.300 0.195 0.000 1.020 284 V CB 1.696 33.700 31.823 0.301 0.000 1.085 284 V HN 0.060 nan 8.190 nan 0.000 0.446 285 L N 2.169 123.479 121.223 0.144 0.000 2.131 285 L HA -0.040 4.299 4.340 -0.001 0.000 0.210 285 L C 2.288 179.171 176.870 0.022 0.000 1.092 285 L CA 2.985 57.893 54.840 0.112 0.000 0.759 285 L CB -0.704 41.447 42.059 0.153 0.000 0.903 285 L HN 1.096 nan 8.230 nan 0.000 0.435 286 T N -5.898 108.587 114.554 -0.116 0.000 3.169 286 T HA 0.011 4.361 4.350 -0.001 0.000 0.250 286 T C 1.544 176.184 174.700 -0.099 0.000 1.111 286 T CA 0.669 62.651 62.100 -0.196 0.000 1.010 286 T CB -0.678 67.896 68.868 -0.489 0.000 0.984 286 T HN 0.251 nan 8.240 nan 0.000 0.537 287 T N 1.994 116.526 114.554 -0.036 0.000 2.622 287 T HA -0.163 4.186 4.350 -0.001 0.000 0.266 287 T C 2.208 176.934 174.700 0.044 0.000 1.047 287 T CA 1.836 63.953 62.100 0.029 0.000 1.159 287 T CB -0.713 68.194 68.868 0.066 0.000 0.863 287 T HN 0.547 nan 8.240 nan 0.000 0.422 288 S N -0.264 115.441 115.700 0.009 0.000 2.356 288 S HA -0.156 4.314 4.470 -0.001 0.000 0.223 288 S C 2.448 177.081 174.600 0.054 0.000 1.032 288 S CA 1.503 59.705 58.200 0.003 0.000 1.005 288 S CB -0.937 62.163 63.200 -0.166 0.000 0.867 288 S HN 0.668 nan 8.310 nan 0.000 0.449 289 C N 1.185 120.490 119.300 0.009 0.000 2.453 289 C HA 0.146 4.606 4.460 -0.001 0.000 0.277 289 C C 2.839 177.886 174.990 0.094 0.000 1.262 289 C CA 1.025 60.065 59.018 0.038 0.000 1.718 289 C CB -1.787 25.947 27.740 -0.011 0.000 2.031 289 C HN 0.707 nan 8.230 nan 0.000 0.480 290 G N 0.529 109.392 108.800 0.106 0.000 2.421 290 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 290 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 290 G C 1.520 176.515 174.900 0.158 0.000 1.171 290 G CA 1.071 46.246 45.100 0.125 0.000 0.775 290 G HN 0.583 nan 8.290 nan 0.000 0.543 291 N N 0.406 119.209 118.700 0.173 0.000 2.120 291 N HA -0.073 4.666 4.740 -0.001 0.000 0.188 291 N C 2.432 178.008 175.510 0.110 0.000 1.024 291 N CA 1.607 54.788 53.050 0.218 0.000 0.852 291 N CB -0.714 37.805 38.487 0.053 0.000 1.003 291 N HN 0.257 nan 8.380 nan 0.000 0.424 292 T N 1.717 116.332 114.554 0.101 0.000 2.708 292 T HA -0.026 4.324 4.350 -0.001 0.000 0.266 292 T C 2.149 176.927 174.700 0.129 0.000 1.037 292 T CA 0.748 62.916 62.100 0.114 0.000 1.146 292 T CB -0.373 68.629 68.868 0.224 0.000 0.865 292 T HN 0.122 nan 8.240 nan 0.000 0.435 293 L N 0.648 121.928 121.223 0.094 0.000 2.012 293 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 293 L C 2.970 179.926 176.870 0.144 0.000 1.073 293 L CA 1.323 56.201 54.840 0.064 0.000 0.748 293 L CB -1.061 40.994 42.059 -0.006 0.000 0.891 293 L HN 0.288 nan 8.230 nan 0.000 0.431 294 T N -1.441 113.221 114.554 0.180 0.000 2.777 294 T HA -0.224 4.126 4.350 -0.001 0.000 0.266 294 T C 2.007 176.895 174.700 0.314 0.000 1.040 294 T CA 1.421 63.656 62.100 0.226 0.000 1.141 294 T CB -0.420 68.610 68.868 0.270 0.000 0.868 294 T HN 0.473 nan 8.240 nan 0.000 0.444 295 C N 0.682 120.224 119.300 0.404 0.000 2.446 295 C HA -0.072 4.388 4.460 -0.001 0.000 0.277 295 C C 2.401 177.551 174.990 0.268 0.000 1.275 295 C CA 0.481 59.732 59.018 0.389 0.000 1.727 295 C CB -1.389 26.468 27.740 0.193 0.000 2.010 295 C HN 0.664 nan 8.230 nan 0.000 0.486 296 Y N 1.037 121.395 120.300 0.097 0.000 2.242 296 Y HA -0.073 4.476 4.550 -0.001 0.000 0.291 296 Y C 2.116 178.033 175.900 0.027 0.000 1.137 296 Y CA 1.968 60.102 58.100 0.057 0.000 1.181 296 Y CB -0.528 37.951 38.460 0.031 0.000 0.989 296 Y HN 0.342 nan 8.280 nan 0.000 0.527 297 L N 1.035 122.354 121.223 0.159 0.000 1.994 297 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 297 L C 2.122 178.920 176.870 -0.120 0.000 1.071 297 L CA 2.001 56.813 54.840 -0.045 0.000 0.745 297 L CB -0.891 41.112 42.059 -0.093 0.000 0.892 297 L HN 0.121 nan 8.230 nan 0.000 0.431 298 K N -0.427 119.968 120.400 -0.009 0.000 2.026 298 K HA -0.068 4.251 4.320 -0.001 0.000 0.208 298 K C 2.108 178.732 176.600 0.040 0.000 1.048 298 K CA 1.350 57.643 56.287 0.010 0.000 0.929 298 K CB -0.443 32.140 32.500 0.138 0.000 0.713 298 K HN 0.495 nan 8.250 nan 0.000 0.439 299 A N 1.031 123.866 122.820 0.024 0.000 1.902 299 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 299 A C 2.215 179.813 177.584 0.023 0.000 1.181 299 A CA 1.876 53.944 52.037 0.052 0.000 0.623 299 A CB -0.546 18.540 19.000 0.142 0.000 0.818 299 A HN 0.174 nan 8.150 nan 0.000 0.443 300 S N -0.167 115.431 115.700 -0.171 0.000 2.368 300 S HA -0.027 4.442 4.470 -0.001 0.000 0.225 300 S C 2.304 176.849 174.600 -0.091 0.000 1.030 300 S CA 1.175 59.241 58.200 -0.225 0.000 0.999 300 S CB -0.445 62.457 63.200 -0.496 0.000 0.844 300 S HN 0.794 nan 8.310 nan 0.000 0.459 301 A N 1.451 124.239 122.820 -0.054 0.000 1.930 301 A HA 0.169 4.488 4.320 -0.001 0.000 0.217 301 A C 2.324 179.976 177.584 0.113 0.000 1.175 301 A CA 1.591 53.663 52.037 0.058 0.000 0.627 301 A CB -0.966 18.078 19.000 0.074 0.000 0.815 301 A HN 0.505 nan 8.150 nan 0.000 0.443 302 A N -0.902 121.985 122.820 0.111 0.000 1.930 302 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 302 A C 2.384 179.979 177.584 0.018 0.000 1.175 302 A CA 1.628 53.600 52.037 -0.109 0.000 0.627 302 A CB -1.423 17.159 19.000 -0.696 0.000 0.815 302 A HN 0.980 nan 8.150 nan 0.000 0.443 303 c N 0.070 118.780 118.600 0.184 0.000 2.425 303 c HA -0.087 4.482 4.570 -0.001 0.000 0.277 303 c C 2.788 176.890 174.090 0.021 0.000 1.280 303 c CA 1.365 57.831 56.329 0.228 0.000 1.744 303 c CB -1.324 41.275 42.510 0.147 0.000 1.989 303 c HN 0.627 nan 8.230 nan 0.000 0.491 304 R N 0.854 121.276 120.500 -0.131 0.000 2.075 304 R HA -0.019 4.321 4.340 -0.001 0.000 0.232 304 R C 2.628 178.647 176.300 -0.468 0.000 1.126 304 R CA 1.561 57.445 56.100 -0.360 0.000 0.963 304 R CB -0.635 29.304 30.300 -0.602 0.000 0.858 304 R HN 0.621 nan 8.270 nan 0.000 0.435 305 A N 1.438 124.016 122.820 -0.404 0.000 1.908 305 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 305 A C 2.274 179.832 177.584 -0.042 0.000 1.181 305 A CA 1.792 53.744 52.037 -0.142 0.000 0.627 305 A CB -0.558 18.420 19.000 -0.038 0.000 0.818 305 A HN 0.398 nan 8.150 nan 0.000 0.445 306 A N -1.662 121.155 122.820 -0.006 0.000 2.206 306 A HA 0.236 4.555 4.320 -0.001 0.000 0.211 306 A C 1.061 178.668 177.584 0.038 0.000 1.158 306 A CA 0.971 53.038 52.037 0.051 0.000 0.761 306 A CB -0.426 18.675 19.000 0.167 0.000 0.801 306 A HN 0.514 nan 8.150 nan 0.000 0.473 307 K N -1.774 118.630 120.400 0.007 0.000 3.117 307 K HA -0.157 4.162 4.320 -0.001 0.000 0.269 307 K C -0.883 175.728 176.600 0.019 0.000 1.098 307 K CA 0.192 56.482 56.287 0.005 0.000 0.785 307 K CB -1.846 30.661 32.500 0.013 0.000 1.242 307 K HN 0.351 nan 8.250 nan 0.000 0.491 308 L N 1.224 122.470 121.223 0.038 0.000 2.490 308 L HA 0.001 4.340 4.340 -0.001 0.000 0.274 308 L C 0.798 177.676 176.870 0.014 0.000 1.201 308 L CA 0.828 55.691 54.840 0.039 0.000 0.869 308 L CB 0.522 42.622 42.059 0.068 0.000 1.123 308 L HN 0.123 nan 8.230 nan 0.000 0.484 309 Q N 3.432 123.235 119.800 0.004 0.000 2.337 309 Q HA 0.188 4.528 4.340 -0.001 0.000 0.255 309 Q C -0.742 175.246 176.000 -0.020 0.000 0.997 309 Q CA 0.062 55.860 55.803 -0.008 0.000 0.925 309 Q CB 0.135 28.866 28.738 -0.013 0.000 1.212 309 Q HN 0.503 nan 8.270 nan 0.000 0.436 310 D N 2.101 122.491 120.400 -0.018 0.000 2.746 310 D HA -0.177 4.463 4.640 -0.001 0.000 0.241 310 D C -0.656 175.625 176.300 -0.031 0.000 1.140 310 D CA 0.899 54.884 54.000 -0.025 0.000 0.707 310 D CB -1.798 38.979 40.800 -0.038 0.000 1.034 310 D HN 0.688 nan 8.370 nan 0.000 0.423 311 c N -0.459 118.128 118.600 -0.021 0.000 2.576 311 c HA 0.605 5.174 4.570 -0.001 0.000 0.401 311 c C 0.877 174.954 174.090 -0.022 0.000 1.314 311 c CA -0.557 55.752 56.329 -0.032 0.000 1.855 311 c CB 0.417 42.916 42.510 -0.019 0.000 2.537 311 c HN 0.351 nan 8.230 nan 0.000 0.578 312 T N 6.096 120.631 114.554 -0.032 0.000 2.807 312 T HA 0.618 4.968 4.350 -0.001 0.000 0.279 312 T C -0.184 174.531 174.700 0.025 0.000 0.993 312 T CA -0.182 61.932 62.100 0.024 0.000 0.970 312 T CB 1.187 70.054 68.868 -0.001 0.000 0.950 312 T HN 0.779 nan 8.240 nan 0.000 0.441 313 M N 2.784 122.449 119.600 0.109 0.000 2.662 313 M HA 0.658 5.137 4.480 -0.001 0.000 0.310 313 M C -1.434 174.989 176.300 0.204 0.000 1.204 313 M CA -1.125 54.232 55.300 0.094 0.000 0.891 313 M CB 2.183 34.816 32.600 0.055 0.000 1.732 313 M HN 0.314 nan 8.290 nan 0.000 0.467 314 L N 2.298 123.599 121.223 0.130 0.000 2.404 314 L HA 0.725 5.064 4.340 -0.001 0.000 0.272 314 L C -1.594 175.282 176.870 0.009 0.000 0.980 314 L CA -0.520 54.392 54.840 0.119 0.000 0.836 314 L CB 1.798 43.957 42.059 0.166 0.000 1.238 314 L HN 0.494 nan 8.230 nan 0.000 0.408 315 V N 4.070 123.960 119.914 -0.040 0.000 2.540 315 V HA 0.601 4.720 4.120 -0.001 0.000 0.302 315 V C -0.720 175.170 176.094 -0.340 0.000 1.035 315 V CA -0.643 61.601 62.300 -0.094 0.000 0.873 315 V CB 1.938 33.799 31.823 0.063 0.000 0.992 315 V HN 0.773 nan 8.190 nan 0.000 0.428 316 N N 3.461 121.904 118.700 -0.429 0.000 2.664 316 N HA 0.612 5.351 4.740 -0.001 0.000 0.257 316 N C 0.573 175.903 175.510 -0.301 0.000 1.108 316 N CA 0.650 53.175 53.050 -0.875 0.000 0.822 316 N CB 1.641 39.551 38.487 -0.962 0.000 1.199 316 N HN 1.115 nan 8.380 nan 0.000 0.529 317 G N 2.253 111.050 108.800 -0.004 0.000 2.596 317 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.304 317 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.304 317 G C 0.507 175.260 174.900 -0.245 0.000 1.189 317 G CA 0.712 45.828 45.100 0.027 0.000 0.986 317 G HN 0.600 nan 8.290 nan 0.000 0.548 318 D N 1.272 121.442 120.400 -0.384 0.000 2.340 318 D HA 0.083 4.722 4.640 -0.001 0.000 0.220 318 D C 0.330 176.479 176.300 -0.253 0.000 1.039 318 D CA 0.739 54.307 54.000 -0.719 0.000 0.866 318 D CB -0.102 40.240 40.800 -0.763 0.000 0.913 318 D HN 0.407 nan 8.370 nan 0.000 0.523 319 D N 0.785 121.102 120.400 -0.138 0.000 2.295 319 D HA 0.289 4.928 4.640 -0.001 0.000 0.248 319 D C -0.945 175.333 176.300 -0.037 0.000 1.154 319 D CA -0.496 53.473 54.000 -0.052 0.000 0.857 319 D CB 1.183 41.947 40.800 -0.061 0.000 1.117 319 D HN 0.068 nan 8.370 nan 0.000 0.468 320 L N 4.944 126.192 121.223 0.041 0.000 2.410 320 L HA 0.546 4.885 4.340 -0.001 0.000 0.270 320 L C -1.785 175.086 176.870 0.002 0.000 0.983 320 L CA -0.691 54.179 54.840 0.049 0.000 0.822 320 L CB 1.967 44.120 42.059 0.155 0.000 1.285 320 L HN 0.142 nan 8.230 nan 0.000 0.409 321 V N 5.745 125.616 119.914 -0.071 0.000 2.709 321 V HA 0.782 4.902 4.120 -0.001 0.000 0.308 321 V C -1.417 174.516 176.094 -0.268 0.000 1.062 321 V CA -0.365 61.833 62.300 -0.171 0.000 0.901 321 V CB 2.411 34.178 31.823 -0.094 0.000 1.003 321 V HN 0.610 nan 8.190 nan 0.000 0.425 322 V N 7.575 127.146 119.914 -0.572 0.000 2.540 322 V HA 0.597 4.717 4.120 -0.001 0.000 0.302 322 V C -0.363 175.487 176.094 -0.407 0.000 1.035 322 V CA -0.471 61.480 62.300 -0.580 0.000 0.873 322 V CB 1.832 33.025 31.823 -1.051 0.000 0.992 322 V HN 0.739 nan 8.190 nan 0.000 0.428 323 I N 4.894 125.345 120.570 -0.197 0.000 2.436 323 I HA 0.689 4.859 4.170 -0.001 0.000 0.289 323 I C -0.131 175.915 176.117 -0.119 0.000 1.010 323 I CA -0.329 60.906 61.300 -0.108 0.000 1.098 323 I CB 1.726 39.700 38.000 -0.044 0.000 1.266 323 I HN 0.900 nan 8.210 nan 0.000 0.434 324 C N 2.693 121.923 119.300 -0.115 0.000 3.335 324 C HA 0.568 5.027 4.460 -0.001 0.000 0.356 324 C C -0.656 174.260 174.990 -0.123 0.000 1.570 324 C CA -0.883 58.077 59.018 -0.096 0.000 1.271 324 C CB 1.881 29.599 27.740 -0.036 0.000 1.873 324 C HN 0.620 nan 8.230 nan 0.000 0.439 325 E N 1.818 121.965 120.200 -0.087 0.000 2.259 325 E HA 0.325 4.674 4.350 -0.001 0.000 0.281 325 E C 0.104 176.679 176.600 -0.042 0.000 1.037 325 E CA 0.478 56.827 56.400 -0.086 0.000 0.854 325 E CB 1.701 31.363 29.700 -0.065 0.000 1.051 325 E HN 0.709 nan 8.360 nan 0.000 0.409 326 S N 1.623 117.305 115.700 -0.030 0.000 2.585 326 S HA 0.360 4.830 4.470 -0.001 0.000 0.273 326 S C 0.367 174.977 174.600 0.016 0.000 1.339 326 S CA 0.158 58.383 58.200 0.043 0.000 1.028 326 S CB 0.693 63.969 63.200 0.126 0.000 0.906 326 S HN 0.524 nan 8.310 nan 0.000 0.528 327 A N 2.467 125.304 122.820 0.029 0.000 2.609 327 A HA 0.667 4.986 4.320 -0.001 0.000 0.286 327 A C 0.731 178.317 177.584 0.002 0.000 1.138 327 A CA 0.249 52.289 52.037 0.006 0.000 0.960 327 A CB -0.626 18.378 19.000 0.007 0.000 1.208 327 A HN 1.904 nan 8.150 nan 0.000 0.541 328 G N -1.060 107.742 108.800 0.004 0.000 2.629 328 G HA2 0.095 4.054 3.960 -0.001 0.000 0.686 328 G HA3 0.095 4.054 3.960 -0.001 0.000 0.686 328 G C 0.601 175.506 174.900 0.008 0.000 1.232 328 G CA 0.180 45.261 45.100 -0.033 0.000 0.803 328 G HN 1.165 nan 8.290 nan 0.000 0.638 329 T N -1.936 112.596 114.554 -0.038 0.000 2.759 329 T HA -0.144 4.205 4.350 -0.001 0.000 0.269 329 T C 1.987 176.718 174.700 0.052 0.000 1.042 329 T CA 2.270 64.397 62.100 0.044 0.000 1.140 329 T CB -0.204 68.653 68.868 -0.018 0.000 0.864 329 T HN 0.647 nan 8.240 nan 0.000 0.455 330 Q N 0.288 120.098 119.800 0.015 0.000 2.046 330 Q HA -0.104 4.235 4.340 -0.001 0.000 0.200 330 Q C 2.518 178.526 176.000 0.012 0.000 0.975 330 Q CA 1.669 57.479 55.803 0.011 0.000 0.836 330 Q CB -0.139 28.599 28.738 0.000 0.000 0.896 330 Q HN 0.535 nan 8.270 nan 0.000 0.428 331 E N 1.099 121.307 120.200 0.012 0.000 2.106 331 E HA -0.175 4.174 4.350 -0.001 0.000 0.192 331 E C 1.243 177.851 176.600 0.013 0.000 0.984 331 E CA 1.457 57.863 56.400 0.010 0.000 0.806 331 E CB -0.117 29.588 29.700 0.008 0.000 0.750 331 E HN 0.249 nan 8.360 nan 0.000 0.458 332 D N -0.044 120.376 120.400 0.034 0.000 2.144 332 D HA -0.100 4.540 4.640 -0.001 0.000 0.199 332 D C 1.721 178.006 176.300 -0.025 0.000 0.984 332 D CA 1.590 55.606 54.000 0.027 0.000 0.834 332 D CB -0.441 40.430 40.800 0.118 0.000 0.955 332 D HN 0.324 nan 8.370 nan 0.000 0.465 333 A N 0.912 123.731 122.820 -0.002 0.000 1.898 333 A HA 0.000 4.319 4.320 -0.001 0.000 0.216 333 A C 2.298 179.861 177.584 -0.035 0.000 1.181 333 A CA 2.061 54.081 52.037 -0.028 0.000 0.620 333 A CB -0.688 18.311 19.000 -0.001 0.000 0.819 333 A HN 0.227 nan 8.150 nan 0.000 0.442 334 A N -0.662 122.148 122.820 -0.017 0.000 1.898 334 A HA -0.048 4.271 4.320 -0.001 0.000 0.216 334 A C 2.436 180.013 177.584 -0.012 0.000 1.181 334 A CA 1.997 54.027 52.037 -0.011 0.000 0.620 334 A CB -0.828 18.170 19.000 -0.003 0.000 0.819 334 A HN 0.433 nan 8.150 nan 0.000 0.442 335 S N -0.267 115.422 115.700 -0.018 0.000 2.368 335 S HA -0.093 4.376 4.470 -0.001 0.000 0.225 335 S C 1.839 176.428 174.600 -0.017 0.000 1.030 335 S CA 1.354 59.549 58.200 -0.008 0.000 0.999 335 S CB -0.420 62.772 63.200 -0.012 0.000 0.844 335 S HN 0.508 nan 8.310 nan 0.000 0.459 336 L N 0.888 122.042 121.223 -0.115 0.000 2.083 336 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 336 L C 2.697 179.561 176.870 -0.010 0.000 1.083 336 L CA 1.220 55.940 54.840 -0.201 0.000 0.752 336 L CB -0.300 41.523 42.059 -0.394 0.000 0.899 336 L HN 0.252 nan 8.230 nan 0.000 0.433 337 R N -1.011 119.483 120.500 -0.010 0.000 2.081 337 R HA -0.135 4.205 4.340 -0.001 0.000 0.235 337 R C 2.149 178.470 176.300 0.035 0.000 1.131 337 R CA 1.301 57.413 56.100 0.020 0.000 0.960 337 R CB -0.447 29.854 30.300 0.001 0.000 0.856 337 R HN 0.208 nan 8.270 nan 0.000 0.436 338 V N 0.741 120.674 119.914 0.032 0.000 2.358 338 V HA -0.240 3.880 4.120 -0.001 0.000 0.246 338 V C 1.929 178.038 176.094 0.024 0.000 1.047 338 V CA 1.674 63.984 62.300 0.017 0.000 1.035 338 V CB -0.574 31.260 31.823 0.019 0.000 0.658 338 V HN 0.217 nan 8.190 nan 0.000 0.452 339 F N 1.596 121.507 119.950 -0.064 0.000 2.095 339 F HA -0.244 4.282 4.527 -0.002 0.000 0.298 339 F C 2.424 178.179 175.800 -0.076 0.000 1.104 339 F CA 2.374 60.337 58.000 -0.063 0.000 1.232 339 F CB -0.535 38.443 39.000 -0.036 0.000 0.987 339 F HN 0.113 nan 8.300 nan 0.000 0.475 340 T N -0.020 114.621 114.554 0.145 0.000 2.821 340 T HA -0.167 4.182 4.350 -0.001 0.000 0.267 340 T C 1.679 176.367 174.700 -0.020 0.000 1.046 340 T CA 1.664 63.852 62.100 0.147 0.000 1.139 340 T CB -0.304 68.730 68.868 0.278 0.000 0.871 340 T HN 0.405 nan 8.240 nan 0.000 0.454 341 E N 1.079 121.243 120.200 -0.059 0.000 2.072 341 E HA -0.022 4.327 4.350 -0.001 0.000 0.191 341 E C 2.576 179.040 176.600 -0.226 0.000 0.985 341 E CA 0.932 57.270 56.400 -0.104 0.000 0.801 341 E CB -0.206 29.445 29.700 -0.081 0.000 0.750 341 E HN 0.469 nan 8.360 nan 0.000 0.452 342 A N 1.366 123.990 122.820 -0.327 0.000 1.877 342 A HA -0.200 4.119 4.320 -0.001 0.000 0.216 342 A C 2.170 179.311 177.584 -0.738 0.000 1.186 342 A CA 1.334 53.019 52.037 -0.587 0.000 0.620 342 A CB -0.363 18.315 19.000 -0.536 0.000 0.822 342 A HN 0.119 nan 8.150 nan 0.000 0.443 343 M N -0.224 119.053 119.600 -0.538 0.000 2.149 343 M HA -0.127 4.352 4.480 -0.001 0.000 0.261 343 M C 2.176 178.403 176.300 -0.122 0.000 1.064 343 M CA 2.075 57.186 55.300 -0.315 0.000 1.102 343 M CB -1.963 30.382 32.600 -0.424 0.000 1.369 343 M HN 0.463 nan 8.290 nan 0.000 0.408 344 T N -0.080 114.403 114.554 -0.118 0.000 2.746 344 T HA -0.105 4.245 4.350 -0.001 0.000 0.267 344 T C 1.970 176.615 174.700 -0.091 0.000 1.039 344 T CA 1.080 63.147 62.100 -0.054 0.000 1.142 344 T CB -0.169 68.674 68.868 -0.043 0.000 0.866 344 T HN 0.378 nan 8.240 nan 0.000 0.444 345 R N -0.070 120.308 120.500 -0.203 0.000 2.152 345 R HA -0.048 4.292 4.340 -0.001 0.000 0.232 345 R C 1.551 177.811 176.300 -0.067 0.000 1.117 345 R CA 1.030 57.018 56.100 -0.186 0.000 0.981 345 R CB -0.200 29.919 30.300 -0.303 0.000 0.870 345 R HN 0.434 nan 8.270 nan 0.000 0.451 346 Y N -0.220 120.025 120.300 -0.092 0.000 2.490 346 Y HA 0.130 4.680 4.550 -0.000 0.000 0.281 346 Y C 0.829 176.681 175.900 -0.079 0.000 1.174 346 Y CA -0.493 57.542 58.100 -0.107 0.000 1.295 346 Y CB -0.015 38.403 38.460 -0.070 0.000 1.062 346 Y HN -0.083 nan 8.280 nan 0.000 0.522 347 S N -0.012 115.738 115.700 0.083 0.000 3.968 347 S HA -0.085 4.385 4.470 -0.001 0.000 0.373 347 S C -0.037 174.585 174.600 0.037 0.000 0.974 347 S CA 0.471 58.700 58.200 0.047 0.000 1.124 347 S CB -1.411 61.807 63.200 0.029 0.000 0.862 347 S HN 0.685 nan 8.310 nan 0.000 0.492 348 A N 1.935 124.799 122.820 0.074 0.000 3.415 348 A HA 0.553 4.872 4.320 -0.001 0.000 0.244 348 A C -2.249 175.471 177.584 0.226 0.000 0.988 348 A CA -0.629 51.485 52.037 0.128 0.000 0.991 348 A CB 0.860 19.966 19.000 0.176 0.000 1.240 348 A HN 0.449 nan 8.150 nan 0.000 0.541 349 P HA 0.254 nan 4.420 nan 0.000 0.272 349 P C -2.869 174.502 177.300 0.118 0.000 1.223 349 P CA -0.941 62.225 63.100 0.110 0.000 0.784 349 P CB 0.585 32.272 31.700 -0.021 0.000 0.923 350 P HA 0.084 nan 4.420 nan 0.000 0.278 350 P C 0.584 177.816 177.300 -0.114 0.000 1.238 350 P CA 0.143 63.150 63.100 -0.156 0.000 0.794 350 P CB 0.917 32.523 31.700 -0.156 0.000 0.955 351 G N 2.410 111.128 108.800 -0.136 0.000 2.670 351 G HA2 0.033 3.992 3.960 -0.001 0.000 0.219 351 G HA3 0.033 3.992 3.960 -0.001 0.000 0.219 351 G C -0.184 174.669 174.900 -0.078 0.000 1.342 351 G CA 0.048 45.105 45.100 -0.072 0.000 0.902 351 G HN 0.478 nan 8.290 nan 0.000 0.553 352 D N 2.569 122.919 120.400 -0.083 0.000 2.277 352 D HA 0.307 4.946 4.640 -0.001 0.000 0.249 352 D C -2.146 174.102 176.300 -0.087 0.000 1.134 352 D CA -1.055 52.907 54.000 -0.064 0.000 0.863 352 D CB 1.464 42.238 40.800 -0.043 0.000 1.143 352 D HN 0.113 nan 8.370 nan 0.000 0.458 353 P HA 0.082 nan 4.420 nan 0.000 0.266 353 P C -2.348 174.932 177.300 -0.033 0.000 1.195 353 P CA -0.860 62.214 63.100 -0.044 0.000 0.768 353 P CB -0.148 31.540 31.700 -0.020 0.000 0.838 354 P HA 0.107 nan 4.420 nan 0.000 0.272 354 P C -0.824 176.446 177.300 -0.050 0.000 1.223 354 P CA 0.071 63.186 63.100 0.025 0.000 0.784 354 P CB 0.697 32.471 31.700 0.122 0.000 0.923 355 Q N 1.914 121.698 119.800 -0.028 0.000 2.331 355 Q HA 0.587 4.927 4.340 -0.001 0.000 0.272 355 Q C -2.820 173.143 176.000 -0.061 0.000 1.062 355 Q CA -2.324 53.447 55.803 -0.053 0.000 0.806 355 Q CB 2.149 30.880 28.738 -0.012 0.000 1.312 355 Q HN 0.256 nan 8.270 nan 0.000 0.431 356 P HA 0.118 nan 4.420 nan 0.000 0.271 356 P C -0.838 176.297 177.300 -0.275 0.000 1.218 356 P CA 0.081 63.062 63.100 -0.199 0.000 0.780 356 P CB 0.965 32.526 31.700 -0.232 0.000 0.901 357 E N 1.390 121.381 120.200 -0.349 0.000 2.266 357 E HA 0.237 4.586 4.350 -0.001 0.000 0.268 357 E C -0.616 175.763 176.600 -0.369 0.000 0.879 357 E CA -0.456 55.796 56.400 -0.247 0.000 0.762 357 E CB 1.515 31.190 29.700 -0.041 0.000 1.199 357 E HN 0.429 nan 8.360 nan 0.000 0.422 358 Y N -0.303 120.138 120.300 0.236 0.000 2.557 358 Y HA 0.174 4.724 4.550 -0.001 0.000 0.247 358 Y C 0.237 176.383 175.900 0.410 0.000 1.164 358 Y CA -0.412 57.886 58.100 0.330 0.000 1.218 358 Y CB 1.027 39.587 38.460 0.165 0.000 1.210 358 Y HN 0.237 nan 8.280 nan 0.000 0.529 359 D N 0.474 121.030 120.400 0.259 0.000 2.481 359 D HA 0.115 4.754 4.640 -0.001 0.000 0.246 359 D C 0.716 176.792 176.300 -0.373 0.000 1.109 359 D CA -0.300 53.710 54.000 0.018 0.000 0.845 359 D CB 1.829 42.646 40.800 0.027 0.000 1.160 359 D HN 0.121 nan 8.370 nan 0.000 0.534 360 L N 4.482 125.130 121.223 -0.958 0.000 2.042 360 L HA -0.099 4.240 4.340 -0.001 0.000 0.210 360 L C 1.677 178.217 176.870 -0.550 0.000 1.076 360 L CA 1.977 56.101 54.840 -1.192 0.000 0.749 360 L CB -0.388 40.715 42.059 -1.592 0.000 0.893 360 L HN 0.529 nan 8.230 nan 0.000 0.432 361 E N -0.767 119.207 120.200 -0.377 0.000 2.331 361 E HA -0.189 4.161 4.350 -0.001 0.000 0.199 361 E C 1.926 178.432 176.600 -0.157 0.000 1.008 361 E CA 0.977 57.246 56.400 -0.219 0.000 0.843 361 E CB -0.187 29.430 29.700 -0.138 0.000 0.761 361 E HN 0.552 nan 8.360 nan 0.000 0.507 362 L N 0.616 121.748 121.223 -0.153 0.000 2.592 362 L HA 0.180 4.519 4.340 -0.001 0.000 0.227 362 L C 0.643 177.465 176.870 -0.082 0.000 1.127 362 L CA -0.161 54.627 54.840 -0.087 0.000 0.884 362 L CB 0.202 42.233 42.059 -0.047 0.000 1.065 362 L HN 0.029 nan 8.230 nan 0.000 0.457 363 I N 0.249 120.745 120.570 -0.124 0.000 2.352 363 I HA 0.096 4.265 4.170 -0.001 0.000 0.290 363 I C 0.066 176.144 176.117 -0.066 0.000 1.036 363 I CA 0.174 61.424 61.300 -0.083 0.000 1.336 363 I CB 1.296 39.236 38.000 -0.100 0.000 1.407 363 I HN -0.091 nan 8.210 nan 0.000 0.497 364 T N 5.231 119.767 114.554 -0.031 0.000 2.749 364 T HA 0.440 4.789 4.350 -0.001 0.000 0.287 364 T C -0.241 174.458 174.700 -0.001 0.000 0.970 364 T CA -0.552 61.539 62.100 -0.015 0.000 0.980 364 T CB 0.862 69.726 68.868 -0.006 0.000 0.924 364 T HN 0.741 nan 8.240 nan 0.000 0.456 365 S N 1.132 116.834 115.700 0.004 0.000 2.546 365 S HA 0.421 4.890 4.470 -0.001 0.000 0.272 365 S C 0.058 174.676 174.600 0.030 0.000 1.140 365 S CA -0.773 57.432 58.200 0.007 0.000 0.920 365 S CB 0.627 63.818 63.200 -0.016 0.000 1.083 365 S HN 0.885 nan 8.310 nan 0.000 0.476 366 C N 2.235 121.555 119.300 0.035 0.000 4.350 366 C HA -0.167 4.292 4.460 -0.001 0.000 0.302 366 C C 1.331 176.397 174.990 0.126 0.000 1.390 366 C CA 0.730 59.792 59.018 0.074 0.000 2.016 366 C CB -3.227 24.555 27.740 0.069 0.000 1.271 366 C HN 1.725 nan 8.230 nan 0.000 0.760 367 S N -1.215 114.540 115.700 0.092 0.000 3.402 367 S HA -0.206 4.263 4.470 -0.001 0.000 0.329 367 S C 0.322 174.973 174.600 0.085 0.000 1.194 367 S CA 1.276 59.525 58.200 0.083 0.000 0.951 367 S CB -0.718 62.544 63.200 0.103 0.000 0.975 367 S HN 1.001 nan 8.310 nan 0.000 0.574 368 S N 1.606 117.364 115.700 0.098 0.000 2.634 368 S HA 0.779 5.249 4.470 -0.001 0.000 0.296 368 S C -0.330 174.296 174.600 0.042 0.000 1.104 368 S CA -0.935 57.333 58.200 0.113 0.000 0.920 368 S CB 1.792 65.131 63.200 0.232 0.000 1.111 368 S HN 0.613 nan 8.310 nan 0.000 0.493 369 N N -0.698 118.014 118.700 0.020 0.000 2.494 369 N HA 0.441 5.181 4.740 -0.001 0.000 0.270 369 N C -1.533 173.921 175.510 -0.094 0.000 1.285 369 N CA -0.567 52.453 53.050 -0.050 0.000 0.812 369 N CB 1.079 39.525 38.487 -0.069 0.000 1.557 369 N HN 0.332 nan 8.380 nan 0.000 0.487 370 V N 0.429 120.251 119.914 -0.152 0.000 2.775 370 V HA 0.460 4.579 4.120 -0.001 0.000 0.299 370 V C 0.458 176.411 176.094 -0.234 0.000 1.062 370 V CA 0.082 62.260 62.300 -0.203 0.000 1.063 370 V CB 1.089 32.774 31.823 -0.230 0.000 0.994 370 V HN 0.871 nan 8.190 nan 0.000 0.483 371 S N 2.322 117.810 115.700 -0.352 0.000 2.656 371 S HA 0.751 5.221 4.470 -0.001 0.000 0.273 371 S C -1.458 173.011 174.600 -0.219 0.000 1.168 371 S CA -0.404 57.621 58.200 -0.292 0.000 0.817 371 S CB 2.004 65.005 63.200 -0.332 0.000 1.146 371 S HN 0.693 nan 8.310 nan 0.000 0.475 372 V N 1.134 121.035 119.914 -0.021 0.000 2.823 372 V HA 1.012 5.131 4.120 -0.001 0.000 0.312 372 V C -0.165 175.931 176.094 0.004 0.000 1.072 372 V CA 0.365 62.626 62.300 -0.065 0.000 0.937 372 V CB 1.294 32.965 31.823 -0.253 0.000 1.013 372 V HN 1.378 nan 8.190 nan 0.000 0.430 373 A N 4.446 127.113 122.820 -0.254 0.000 2.733 373 A HA 0.885 5.204 4.320 -0.001 0.000 0.299 373 A C -1.297 175.728 177.584 -0.932 0.000 1.252 373 A CA -0.548 51.183 52.037 -0.509 0.000 0.677 373 A CB 1.661 20.237 19.000 -0.707 0.000 1.361 373 A HN 0.934 nan 8.150 nan 0.000 0.528 374 H N 0.307 119.046 119.070 -0.552 0.000 2.806 374 H HA 0.376 4.931 4.556 -0.001 0.000 0.367 374 H C -1.202 173.833 175.328 -0.488 0.000 1.136 374 H CA -0.391 55.348 56.048 -0.514 0.000 1.178 374 H CB 1.820 31.226 29.762 -0.595 0.000 1.718 374 H HN 0.907 nan 8.280 nan 0.000 0.540 375 D N 0.973 121.285 120.400 -0.146 0.000 2.425 375 D HA 0.193 4.833 4.640 -0.001 0.000 0.274 375 D C 1.434 177.814 176.300 0.133 0.000 1.242 375 D CA -0.283 53.698 54.000 -0.031 0.000 1.060 375 D CB 0.260 41.046 40.800 -0.023 0.000 1.112 375 D HN 0.441 nan 8.370 nan 0.000 0.561 376 A N -0.361 122.539 122.820 0.133 0.000 1.908 376 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 376 A C 2.103 179.762 177.584 0.125 0.000 1.181 376 A CA 2.078 54.199 52.037 0.140 0.000 0.627 376 A CB -1.111 17.932 19.000 0.072 0.000 0.818 376 A HN 0.480 nan 8.150 nan 0.000 0.445 377 S N -1.613 114.137 115.700 0.084 0.000 2.555 377 S HA 0.309 4.779 4.470 -0.001 0.000 0.230 377 S C 1.515 176.157 174.600 0.069 0.000 0.978 377 S CA 1.014 59.251 58.200 0.061 0.000 0.934 377 S CB -0.108 63.115 63.200 0.038 0.000 0.766 377 S HN 1.693 nan 8.310 nan 0.000 0.533 378 G N 1.727 110.591 108.800 0.106 0.000 2.176 378 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.253 378 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.253 378 G C 0.090 175.049 174.900 0.099 0.000 0.979 378 G CA 0.234 45.381 45.100 0.079 0.000 0.641 378 G HN 0.537 nan 8.290 nan 0.000 0.530 379 K N 1.308 121.745 120.400 0.061 0.000 2.379 379 K HA 0.387 4.706 4.320 -0.001 0.000 0.284 379 K C 0.952 177.532 176.600 -0.033 0.000 1.044 379 K CA -0.635 55.670 56.287 0.030 0.000 0.974 379 K CB 0.241 32.741 32.500 0.001 0.000 0.962 379 K HN 0.347 nan 8.250 nan 0.000 0.474 380 R N 1.905 122.355 120.500 -0.083 0.000 2.583 380 R HA 0.019 4.359 4.340 -0.001 0.000 0.274 380 R C -0.383 175.665 176.300 -0.419 0.000 0.998 380 R CA -0.009 55.851 56.100 -0.400 0.000 1.081 380 R CB 0.732 30.799 30.300 -0.388 0.000 0.940 380 R HN 0.375 nan 8.270 nan 0.000 0.413 381 V N 5.064 124.664 119.914 -0.523 0.000 2.577 381 V HA 0.355 4.474 4.120 -0.001 0.000 0.303 381 V C -1.476 174.431 176.094 -0.312 0.000 1.042 381 V CA -0.762 61.344 62.300 -0.324 0.000 0.872 381 V CB 1.301 33.004 31.823 -0.201 0.000 0.998 381 V HN 0.583 nan 8.190 nan 0.000 0.423 382 Y N 7.507 127.799 120.300 -0.013 0.000 2.310 382 Y HA 0.710 5.259 4.550 -0.001 0.000 0.326 382 Y C 0.029 175.976 175.900 0.077 0.000 1.151 382 Y CA -0.039 58.053 58.100 -0.014 0.000 1.195 382 Y CB 1.408 39.821 38.460 -0.078 0.000 1.210 382 Y HN 0.802 nan 8.280 nan 0.000 0.483 383 Y N 0.543 120.898 120.300 0.092 0.000 2.625 383 Y HA 0.691 5.241 4.550 -0.001 0.000 0.338 383 Y C -2.202 173.749 175.900 0.085 0.000 1.123 383 Y CA -2.028 56.107 58.100 0.058 0.000 1.046 383 Y CB 0.794 39.261 38.460 0.011 0.000 1.299 383 Y HN 0.465 nan 8.280 nan 0.000 0.464 384 L N 2.174 123.449 121.223 0.087 0.000 2.289 384 L HA 0.745 5.084 4.340 -0.001 0.000 0.285 384 L C -0.027 177.011 176.870 0.280 0.000 1.049 384 L CA 0.354 55.241 54.840 0.078 0.000 0.804 384 L CB 1.414 43.564 42.059 0.153 0.000 1.195 384 L HN 1.039 nan 8.230 nan 0.000 0.428 385 T N 4.340 118.996 114.554 0.169 0.000 2.693 385 T HA 0.873 5.222 4.350 -0.001 0.000 0.278 385 T C -1.126 173.658 174.700 0.140 0.000 0.994 385 T CA -0.578 61.687 62.100 0.275 0.000 1.033 385 T CB 1.104 70.129 68.868 0.261 0.000 1.342 385 T HN 0.854 nan 8.240 nan 0.000 0.538 386 R N 0.364 120.909 120.500 0.075 0.000 2.741 386 R HA 0.436 4.775 4.340 -0.001 0.000 0.276 386 R C -1.628 174.522 176.300 -0.249 0.000 1.028 386 R CA -1.001 55.036 56.100 -0.104 0.000 0.865 386 R CB 0.285 30.451 30.300 -0.222 0.000 1.268 386 R HN 0.530 nan 8.270 nan 0.000 0.475 387 D N 1.804 122.052 120.400 -0.253 0.000 2.425 387 D HA 0.069 4.708 4.640 -0.001 0.000 0.247 387 D C -1.375 174.571 176.300 -0.590 0.000 1.147 387 D CA -1.479 52.325 54.000 -0.327 0.000 0.879 387 D CB 1.323 42.008 40.800 -0.191 0.000 1.179 387 D HN 0.372 nan 8.370 nan 0.000 0.456 388 P HA -0.011 nan 4.420 nan 0.000 0.249 388 P C 1.149 178.124 177.300 -0.541 0.000 1.229 388 P CA 0.174 62.612 63.100 -1.104 0.000 0.788 388 P CB 0.315 31.196 31.700 -1.364 0.000 1.072 389 T N 0.156 114.512 114.554 -0.330 0.000 2.607 389 T HA -0.144 4.206 4.350 -0.001 0.000 0.267 389 T C 1.793 176.429 174.700 -0.106 0.000 1.049 389 T CA 2.492 64.494 62.100 -0.163 0.000 1.162 389 T CB -1.141 67.676 68.868 -0.085 0.000 0.863 389 T HN 0.207 nan 8.240 nan 0.000 0.424 390 T N 2.037 116.535 114.554 -0.092 0.000 2.777 390 T HA -0.037 4.312 4.350 -0.001 0.000 0.266 390 T C -0.589 174.075 174.700 -0.059 0.000 1.040 390 T CA 1.073 63.152 62.100 -0.035 0.000 1.141 390 T CB -1.114 67.773 68.868 0.031 0.000 0.868 390 T HN 0.340 nan 8.240 nan 0.000 0.444 391 P HA 0.026 nan 4.420 nan 0.000 0.216 391 P C 1.487 178.811 177.300 0.040 0.000 1.153 391 P CA 0.856 63.948 63.100 -0.013 0.000 0.848 391 P CB -0.136 31.503 31.700 -0.102 0.000 0.787 392 L N -1.355 119.841 121.223 -0.045 0.000 2.072 392 L HA -0.112 4.227 4.340 -0.001 0.000 0.205 392 L C 2.463 179.365 176.870 0.052 0.000 1.079 392 L CA 1.389 56.229 54.840 0.001 0.000 0.752 392 L CB -1.210 40.803 42.059 -0.076 0.000 0.906 392 L HN -0.054 nan 8.230 nan 0.000 0.436 393 A N 0.504 123.345 122.820 0.035 0.000 1.883 393 A HA -0.233 4.086 4.320 -0.001 0.000 0.217 393 A C 2.384 180.039 177.584 0.119 0.000 1.186 393 A CA 1.699 53.780 52.037 0.073 0.000 0.624 393 A CB -0.520 18.502 19.000 0.037 0.000 0.822 393 A HN 0.327 nan 8.150 nan 0.000 0.444 394 R N -0.624 119.920 120.500 0.074 0.000 2.096 394 R HA -0.054 4.285 4.340 -0.001 0.000 0.235 394 R C 2.466 178.920 176.300 0.257 0.000 1.127 394 R CA 1.114 57.280 56.100 0.110 0.000 0.968 394 R CB -0.489 29.821 30.300 0.015 0.000 0.861 394 R HN 0.522 nan 8.270 nan 0.000 0.440 395 A N 1.417 124.408 122.820 0.285 0.000 1.940 395 A HA -0.138 4.181 4.320 -0.001 0.000 0.219 395 A C 2.385 180.215 177.584 0.409 0.000 1.176 395 A CA 1.729 54.047 52.037 0.469 0.000 0.631 395 A CB -0.603 18.691 19.000 0.491 0.000 0.814 395 A HN 0.400 nan 8.150 nan 0.000 0.446 396 A N -1.364 121.602 122.820 0.243 0.000 1.902 396 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 396 A C 2.099 179.782 177.584 0.166 0.000 1.181 396 A CA 1.387 53.519 52.037 0.159 0.000 0.623 396 A CB -0.871 18.196 19.000 0.113 0.000 0.818 396 A HN 0.831 nan 8.150 nan 0.000 0.443 397 W N 1.067 122.408 121.300 0.068 0.000 2.358 397 W HA -0.161 4.499 4.660 -0.001 0.000 0.303 397 W C 1.683 178.241 176.519 0.066 0.000 1.208 397 W CA 1.991 59.358 57.345 0.038 0.000 1.274 397 W CB -0.350 29.114 29.460 0.008 0.000 1.138 397 W HN 0.559 nan 8.180 nan 0.000 0.515 398 E N -0.844 119.604 120.200 0.414 0.000 2.338 398 E HA -0.142 4.207 4.350 -0.001 0.000 0.197 398 E C 1.976 178.738 176.600 0.270 0.000 1.007 398 E CA 1.545 58.161 56.400 0.360 0.000 0.849 398 E CB -0.198 29.756 29.700 0.424 0.000 0.774 398 E HN 0.069 nan 8.360 nan 0.000 0.506 399 T N 0.151 114.856 114.554 0.251 0.000 2.867 399 T HA -0.089 4.261 4.350 -0.001 0.000 0.268 399 T C 1.735 176.415 174.700 -0.034 0.000 1.057 399 T CA 1.251 63.430 62.100 0.131 0.000 1.136 399 T CB 0.046 69.005 68.868 0.152 0.000 0.874 399 T HN 0.237 nan 8.240 nan 0.000 0.466 400 A N 0.135 122.889 122.820 -0.109 0.000 2.229 400 A HA 0.326 4.645 4.320 -0.001 0.000 0.211 400 A C 1.006 178.447 177.584 -0.238 0.000 1.193 400 A CA -0.018 51.900 52.037 -0.198 0.000 0.879 400 A CB 0.498 19.337 19.000 -0.267 0.000 0.911 400 A HN 0.139 nan 8.150 nan 0.000 0.492 401 R N 0.128 120.504 120.500 -0.207 0.000 2.628 401 R HA 0.407 4.747 4.340 -0.001 0.000 0.288 401 R C -1.662 174.599 176.300 -0.065 0.000 0.980 401 R CA -0.529 55.493 56.100 -0.131 0.000 0.891 401 R CB 1.119 31.418 30.300 -0.003 0.000 1.188 401 R HN 0.476 nan 8.270 nan 0.000 0.450 402 H N 0.606 119.749 119.070 0.121 0.000 2.620 402 H HA 0.230 4.785 4.556 -0.001 0.000 0.313 402 H C 0.494 175.889 175.328 0.112 0.000 1.075 402 H CA 0.241 56.359 56.048 0.118 0.000 1.397 402 H CB 1.198 31.005 29.762 0.074 0.000 1.446 402 H HN 0.568 nan 8.280 nan 0.000 0.493 403 T N -0.098 114.580 114.554 0.206 0.000 2.926 403 T HA 0.269 4.618 4.350 -0.001 0.000 0.289 403 T C -1.632 173.084 174.700 0.026 0.000 1.054 403 T CA -2.095 60.070 62.100 0.108 0.000 1.015 403 T CB 1.527 70.450 68.868 0.091 0.000 1.167 403 T HN 0.246 nan 8.240 nan 0.000 0.526 404 P HA 0.090 nan 4.420 nan 0.000 0.215 404 P C -0.175 177.077 177.300 -0.080 0.000 1.153 404 P CA 0.482 63.525 63.100 -0.095 0.000 0.853 404 P CB 0.092 31.731 31.700 -0.102 0.000 0.788 405 V N 1.193 121.064 119.914 -0.071 0.000 2.409 405 V HA 0.204 4.323 4.120 -0.001 0.000 0.291 405 V C -0.228 175.807 176.094 -0.099 0.000 1.020 405 V CA -0.801 61.446 62.300 -0.088 0.000 0.848 405 V CB 1.492 33.262 31.823 -0.088 0.000 0.990 405 V HN 0.020 nan 8.190 nan 0.000 0.430 406 N N 3.265 121.863 118.700 -0.170 0.000 2.521 406 N HA 0.061 4.800 4.740 -0.001 0.000 0.236 406 N C 1.382 176.670 175.510 -0.370 0.000 1.067 406 N CA 0.183 53.070 53.050 -0.272 0.000 0.939 406 N CB 1.658 39.849 38.487 -0.494 0.000 1.201 406 N HN 0.827 nan 8.380 nan 0.000 0.511 407 S N 2.542 118.145 115.700 -0.162 0.000 2.383 407 S HA -0.131 4.339 4.470 -0.001 0.000 0.229 407 S C 1.872 176.429 174.600 -0.071 0.000 1.030 407 S CA 0.382 58.528 58.200 -0.089 0.000 1.002 407 S CB -0.424 62.781 63.200 0.007 0.000 0.829 407 S HN 0.796 nan 8.310 nan 0.000 0.467 408 W N 1.341 122.560 121.300 -0.135 0.000 2.342 408 W HA -0.036 4.623 4.660 -0.001 0.000 0.297 408 W C 1.744 178.204 176.519 -0.099 0.000 1.213 408 W CA 0.565 57.817 57.345 -0.154 0.000 1.251 408 W CB -1.122 27.935 29.460 -0.672 0.000 1.136 408 W HN 0.372 nan 8.180 nan 0.000 0.526 409 L N 2.777 123.352 121.223 -1.080 0.000 2.072 409 L HA 0.185 4.524 4.340 -0.001 0.000 0.205 409 L C 2.634 179.285 176.870 -0.365 0.000 1.079 409 L CA 2.705 56.967 54.840 -0.964 0.000 0.752 409 L CB -1.351 39.862 42.059 -1.410 0.000 0.906 409 L HN 0.036 nan 8.230 nan 0.000 0.436 410 G N -0.806 107.809 108.800 -0.307 0.000 2.408 410 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.217 410 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.217 410 G C 1.456 176.345 174.900 -0.019 0.000 1.150 410 G CA 0.632 45.636 45.100 -0.161 0.000 0.776 410 G HN 0.413 nan 8.290 nan 0.000 0.542 411 N N 0.613 119.365 118.700 0.087 0.000 2.142 411 N HA -0.008 4.731 4.740 -0.001 0.000 0.186 411 N C 2.234 177.882 175.510 0.229 0.000 1.023 411 N CA 0.585 53.815 53.050 0.300 0.000 0.852 411 N CB -0.189 38.562 38.487 0.441 0.000 0.998 411 N HN 0.315 nan 8.380 nan 0.000 0.424 412 I N 0.912 121.586 120.570 0.173 0.000 2.226 412 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 412 I C 2.002 178.167 176.117 0.079 0.000 1.100 412 I CA 0.881 62.266 61.300 0.142 0.000 1.374 412 I CB -0.125 38.029 38.000 0.256 0.000 1.057 412 I HN 0.059 nan 8.210 nan 0.000 0.413 413 I N -0.170 120.446 120.570 0.075 0.000 2.142 413 I HA -0.319 3.850 4.170 -0.001 0.000 0.240 413 I C 2.522 178.722 176.117 0.140 0.000 1.078 413 I CA 1.285 62.656 61.300 0.119 0.000 1.343 413 I CB -0.238 37.811 38.000 0.083 0.000 1.046 413 I HN 0.201 nan 8.210 nan 0.000 0.405 414 M N -0.582 119.005 119.600 -0.022 0.000 2.175 414 M HA -0.146 4.334 4.480 -0.001 0.000 0.264 414 M C 1.208 177.240 176.300 -0.447 0.000 1.063 414 M CA 1.808 56.961 55.300 -0.244 0.000 1.119 414 M CB -0.905 31.406 32.600 -0.481 0.000 1.377 414 M HN 0.200 nan 8.290 nan 0.000 0.415 415 Y N -0.529 119.751 120.300 -0.033 0.000 2.751 415 Y HA 0.491 5.040 4.550 -0.001 0.000 0.289 415 Y C 1.791 177.426 175.900 -0.442 0.000 1.110 415 Y CA -0.334 57.623 58.100 -0.238 0.000 1.251 415 Y CB -1.083 37.157 38.460 -0.367 0.000 1.178 415 Y HN 0.155 nan 8.280 nan 0.000 0.540 416 A N 0.976 123.589 122.820 -0.345 0.000 1.917 416 A HA -0.168 4.152 4.320 -0.001 0.000 0.219 416 A C -0.324 176.999 177.584 -0.435 0.000 1.182 416 A CA 1.691 53.505 52.037 -0.372 0.000 0.633 416 A CB -1.391 17.387 19.000 -0.370 0.000 0.819 416 A HN 0.292 nan 8.150 nan 0.000 0.448 417 P HA 0.003 nan 4.420 nan 0.000 0.230 417 P C 0.670 177.724 177.300 -0.409 0.000 1.158 417 P CA 1.279 64.123 63.100 -0.426 0.000 0.769 417 P CB -0.369 31.110 31.700 -0.369 0.000 0.807 418 T N -2.865 111.442 114.554 -0.411 0.000 2.868 418 T HA 0.126 4.475 4.350 -0.001 0.000 0.292 418 T C 1.084 175.378 174.700 -0.676 0.000 1.028 418 T CA -0.661 61.132 62.100 -0.512 0.000 1.059 418 T CB 0.602 68.960 68.868 -0.849 0.000 0.991 418 T HN -0.195 nan 8.240 nan 0.000 0.531 419 L N 1.818 122.537 121.223 -0.840 0.000 2.046 419 L HA 0.055 4.394 4.340 -0.001 0.000 0.208 419 L C 2.404 178.988 176.870 -0.477 0.000 1.077 419 L CA 1.596 55.930 54.840 -0.844 0.000 0.747 419 L CB -0.956 40.505 42.059 -0.998 0.000 0.896 419 L HN 0.921 nan 8.230 nan 0.000 0.432 420 W N -0.873 120.224 121.300 -0.338 0.000 2.418 420 W HA 0.060 4.719 4.660 -0.001 0.000 0.292 420 W C 1.959 178.360 176.519 -0.197 0.000 1.213 420 W CA 0.764 57.952 57.345 -0.262 0.000 1.283 420 W CB -1.305 28.029 29.460 -0.211 0.000 1.119 420 W HN 0.297 nan 8.180 nan 0.000 0.542 421 A N 1.802 124.264 122.820 -0.597 0.000 1.930 421 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 421 A C 2.242 179.723 177.584 -0.170 0.000 1.175 421 A CA 1.537 53.364 52.037 -0.351 0.000 0.627 421 A CB -0.691 17.943 19.000 -0.609 0.000 0.815 421 A HN 0.304 nan 8.150 nan 0.000 0.443 422 R N -1.041 119.271 120.500 -0.313 0.000 2.057 422 R HA 0.062 4.401 4.340 -0.001 0.000 0.229 422 R C 2.257 178.428 176.300 -0.215 0.000 1.136 422 R CA 1.660 57.593 56.100 -0.278 0.000 0.952 422 R CB -0.350 29.630 30.300 -0.535 0.000 0.848 422 R HN 0.481 nan 8.270 nan 0.000 0.430 423 M N -0.190 119.151 119.600 -0.433 0.000 2.254 423 M HA -0.045 4.434 4.480 -0.001 0.000 0.265 423 M C 1.877 178.205 176.300 0.046 0.000 1.066 423 M CA 1.548 56.693 55.300 -0.260 0.000 1.123 423 M CB 0.121 32.505 32.600 -0.360 0.000 1.388 423 M HN 0.149 nan 8.290 nan 0.000 0.425 424 I N -1.082 119.362 120.570 -0.210 0.000 3.196 424 I HA -0.088 4.082 4.170 -0.001 0.000 0.248 424 I C 2.040 178.054 176.117 -0.171 0.000 1.105 424 I CA 0.220 61.160 61.300 -0.599 0.000 1.482 424 I CB -0.277 37.218 38.000 -0.842 0.000 1.400 424 I HN 0.112 nan 8.210 nan 0.000 0.464 425 L N 0.483 121.749 121.223 0.072 0.000 2.012 425 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 425 L C 2.700 179.856 176.870 0.477 0.000 1.073 425 L CA 1.775 56.826 54.840 0.351 0.000 0.748 425 L CB -0.495 41.825 42.059 0.436 0.000 0.891 425 L HN 0.304 nan 8.230 nan 0.000 0.431 426 M N -0.955 118.906 119.600 0.435 0.000 2.086 426 M HA -0.180 4.299 4.480 -0.001 0.000 0.261 426 M C 2.340 179.138 176.300 0.830 0.000 1.067 426 M CA 2.073 57.742 55.300 0.615 0.000 1.116 426 M CB -0.623 32.152 32.600 0.292 0.000 1.348 426 M HN 0.247 nan 8.290 nan 0.000 0.407 427 T N -1.224 113.799 114.554 0.781 0.000 2.652 427 T HA -0.237 4.112 4.350 -0.001 0.000 0.267 427 T C 1.665 176.684 174.700 0.532 0.000 1.039 427 T CA 1.978 64.537 62.100 0.765 0.000 1.153 427 T CB -0.554 68.808 68.868 0.823 0.000 0.863 427 T HN 0.439 nan 8.240 nan 0.000 0.428 428 H N 0.393 119.633 119.070 0.284 0.000 2.270 428 H HA -0.008 4.548 4.556 -0.001 0.000 0.299 428 H C 1.832 177.008 175.328 -0.253 0.000 1.077 428 H CA 1.584 57.639 56.048 0.011 0.000 1.294 428 H CB -0.575 29.018 29.762 -0.281 0.000 1.371 428 H HN 0.324 nan 8.280 nan 0.000 0.491 429 F N -0.989 118.900 119.950 -0.102 0.000 2.234 429 F HA -0.044 4.482 4.527 -0.001 0.000 0.299 429 F C 2.096 177.682 175.800 -0.357 0.000 1.087 429 F CA 0.670 58.355 58.000 -0.526 0.000 1.340 429 F CB -0.628 37.663 39.000 -1.181 0.000 1.031 429 F HN 0.150 nan 8.300 nan 0.000 0.500 430 F N -0.625 119.407 119.950 0.136 0.000 2.234 430 F HA -0.171 4.355 4.527 -0.001 0.000 0.299 430 F C 2.734 178.567 175.800 0.055 0.000 1.087 430 F CA 1.457 59.562 58.000 0.173 0.000 1.340 430 F CB -0.900 38.311 39.000 0.351 0.000 1.031 430 F HN -0.103 nan 8.300 nan 0.000 0.500 431 S N 0.472 116.256 115.700 0.141 0.000 2.359 431 S HA -0.193 4.276 4.470 -0.001 0.000 0.224 431 S C 2.167 176.734 174.600 -0.055 0.000 1.035 431 S CA 1.573 59.786 58.200 0.023 0.000 1.018 431 S CB -0.483 62.713 63.200 -0.007 0.000 0.876 431 S HN 0.323 nan 8.310 nan 0.000 0.448 432 I N 1.339 121.806 120.570 -0.172 0.000 2.179 432 I HA -0.185 3.984 4.170 -0.001 0.000 0.242 432 I C 2.258 178.336 176.117 -0.067 0.000 1.088 432 I CA 1.132 62.331 61.300 -0.168 0.000 1.357 432 I CB -0.407 37.423 38.000 -0.284 0.000 1.051 432 I HN 0.321 nan 8.210 nan 0.000 0.409 433 L N 0.148 121.334 121.223 -0.061 0.000 2.079 433 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 433 L C 2.563 179.456 176.870 0.039 0.000 1.081 433 L CA 1.365 56.199 54.840 -0.010 0.000 0.752 433 L CB -0.533 41.488 42.059 -0.064 0.000 0.896 433 L HN 0.305 nan 8.230 nan 0.000 0.433 434 L N -0.419 120.839 121.223 0.059 0.000 1.994 434 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 434 L C 2.854 179.744 176.870 0.033 0.000 1.071 434 L CA 1.300 56.179 54.840 0.066 0.000 0.745 434 L CB -0.599 41.501 42.059 0.069 0.000 0.892 434 L HN 0.232 nan 8.230 nan 0.000 0.431 435 A N -1.115 121.711 122.820 0.011 0.000 1.972 435 A HA -0.184 4.136 4.320 -0.001 0.000 0.219 435 A C 2.047 179.637 177.584 0.010 0.000 1.169 435 A CA 1.272 53.310 52.037 0.002 0.000 0.635 435 A CB -0.208 18.782 19.000 -0.016 0.000 0.810 435 A HN 0.441 nan 8.150 nan 0.000 0.446 436 Q N -0.849 118.962 119.800 0.018 0.000 2.319 436 Q HA 0.102 4.441 4.340 -0.001 0.000 0.202 436 Q C -0.563 175.457 176.000 0.033 0.000 0.896 436 Q CA 0.211 56.031 55.803 0.028 0.000 0.942 436 Q CB 0.146 28.909 28.738 0.041 0.000 1.083 436 Q HN 0.769 nan 8.270 nan 0.000 0.510 437 E N 1.030 121.252 120.200 0.037 0.000 2.230 437 E HA -0.234 4.116 4.350 -0.001 0.000 0.206 437 E C -0.416 176.213 176.600 0.048 0.000 1.309 437 E CA 0.261 56.688 56.400 0.044 0.000 0.697 437 E CB -0.897 28.824 29.700 0.035 0.000 1.146 437 E HN 0.409 nan 8.360 nan 0.000 0.363 438 Q N -0.141 119.692 119.800 0.056 0.000 2.115 438 Q HA 0.107 4.446 4.340 -0.001 0.000 0.249 438 Q C 0.836 176.881 176.000 0.075 0.000 0.830 438 Q CA -0.373 55.467 55.803 0.060 0.000 1.104 438 Q CB 0.531 29.305 28.738 0.060 0.000 1.207 438 Q HN 0.206 nan 8.270 nan 0.000 0.464 439 L N 0.472 121.747 121.223 0.088 0.000 2.265 439 L HA -0.158 4.181 4.340 -0.001 0.000 0.215 439 L C 1.308 178.251 176.870 0.121 0.000 1.117 439 L CA 1.780 56.693 54.840 0.120 0.000 0.782 439 L CB -0.166 41.995 42.059 0.169 0.000 0.914 439 L HN 0.218 nan 8.230 nan 0.000 0.441 440 E N -1.131 119.125 120.200 0.095 0.000 2.474 440 E HA 0.052 4.402 4.350 -0.001 0.000 0.195 440 E C 0.639 177.283 176.600 0.072 0.000 1.039 440 E CA -0.014 56.436 56.400 0.085 0.000 0.881 440 E CB 0.009 29.751 29.700 0.070 0.000 0.970 440 E HN 0.209 nan 8.360 nan 0.000 0.486 441 K N 1.733 122.175 120.400 0.070 0.000 2.297 441 K HA 0.439 4.759 4.320 -0.001 0.000 0.286 441 K C -0.410 176.228 176.600 0.063 0.000 1.053 441 K CA -0.423 55.900 56.287 0.059 0.000 0.940 441 K CB 0.666 33.196 32.500 0.050 0.000 1.019 441 K HN 0.067 nan 8.250 nan 0.000 0.475 442 A N 5.433 128.286 122.820 0.054 0.000 2.488 442 A HA 0.295 4.614 4.320 -0.001 0.000 0.249 442 A C -0.511 177.095 177.584 0.036 0.000 1.083 442 A CA -0.205 51.862 52.037 0.050 0.000 0.768 442 A CB 0.006 19.040 19.000 0.058 0.000 1.017 442 A HN 0.758 nan 8.150 nan 0.000 0.496 443 L N 2.387 123.615 121.223 0.008 0.000 2.354 443 L HA 0.394 4.733 4.340 -0.001 0.000 0.269 443 L C -0.708 176.127 176.870 -0.059 0.000 1.005 443 L CA -1.034 53.789 54.840 -0.029 0.000 0.819 443 L CB 1.994 44.010 42.059 -0.071 0.000 1.311 443 L HN 0.610 nan 8.230 nan 0.000 0.423 444 D N 1.321 121.691 120.400 -0.050 0.000 2.255 444 D HA 0.489 5.128 4.640 -0.001 0.000 0.249 444 D C -0.370 175.856 176.300 -0.123 0.000 1.078 444 D CA -0.079 53.897 54.000 -0.039 0.000 0.896 444 D CB 1.854 42.659 40.800 0.008 0.000 1.194 444 D HN 0.614 nan 8.370 nan 0.000 0.429 445 C N -0.112 119.113 119.300 -0.124 0.000 3.336 445 C HA 0.679 5.138 4.460 -0.001 0.000 0.339 445 C C -1.210 173.715 174.990 -0.110 0.000 1.468 445 C CA -0.833 58.081 59.018 -0.172 0.000 1.287 445 C CB 1.421 28.997 27.740 -0.273 0.000 1.682 445 C HN 0.558 nan 8.230 nan 0.000 0.451 446 Q N 0.257 119.992 119.800 -0.110 0.000 2.375 446 Q HA 0.780 5.120 4.340 -0.001 0.000 0.271 446 Q C -1.454 174.490 176.000 -0.093 0.000 1.074 446 Q CA -0.441 55.328 55.803 -0.056 0.000 0.808 446 Q CB 2.614 31.329 28.738 -0.038 0.000 1.327 446 Q HN 0.707 nan 8.270 nan 0.000 0.441 447 I N 2.516 123.041 120.570 -0.076 0.000 2.468 447 I HA 0.210 4.379 4.170 -0.001 0.000 0.285 447 I C -1.027 175.092 176.117 0.004 0.000 1.039 447 I CA -0.807 60.358 61.300 -0.225 0.000 1.074 447 I CB 1.135 38.723 38.000 -0.687 0.000 1.228 447 I HN 0.673 nan 8.210 nan 0.000 0.436 448 Y N 5.137 125.473 120.300 0.060 0.000 3.491 448 Y HA -0.266 4.283 4.550 -0.001 0.000 0.215 448 Y C 1.488 177.345 175.900 -0.072 0.000 1.219 448 Y CA 1.146 59.263 58.100 0.028 0.000 1.485 448 Y CB -1.988 36.488 38.460 0.028 0.000 1.450 448 Y HN 0.987 nan 8.280 nan 0.000 0.603 449 G N -2.213 106.662 108.800 0.125 0.000 2.253 449 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.251 449 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.251 449 G C 0.472 175.384 174.900 0.019 0.000 0.998 449 G CA 0.135 45.269 45.100 0.057 0.000 0.621 449 G HN 1.555 nan 8.290 nan 0.000 0.524 450 A N -0.352 122.484 122.820 0.026 0.000 2.327 450 A HA 0.629 4.948 4.320 -0.001 0.000 0.283 450 A C 0.708 178.123 177.584 -0.282 0.000 1.127 450 A CA 0.486 52.387 52.037 -0.227 0.000 0.810 450 A CB 0.832 19.608 19.000 -0.373 0.000 1.066 450 A HN 1.472 nan 8.150 nan 0.000 0.492 451 C N 2.486 121.537 119.300 -0.415 0.000 2.452 451 C HA 0.741 5.200 4.460 -0.001 0.000 0.379 451 C C -1.019 173.599 174.990 -0.620 0.000 1.275 451 C CA -0.313 58.542 59.018 -0.272 0.000 2.056 451 C CB -1.123 26.612 27.740 -0.008 0.000 2.506 451 C HN 0.655 nan 8.230 nan 0.000 0.560 452 Y N 2.692 122.784 120.300 -0.348 0.000 2.477 452 Y HA 0.435 4.985 4.550 -0.001 0.000 0.347 452 Y C 0.298 176.055 175.900 -0.238 0.000 0.981 452 Y CA -0.380 57.465 58.100 -0.424 0.000 1.033 452 Y CB 1.805 39.920 38.460 -0.576 0.000 1.245 452 Y HN 0.593 nan 8.280 nan 0.000 0.455 453 S N 4.028 119.704 115.700 -0.040 0.000 2.457 453 S HA 0.760 5.230 4.470 -0.001 0.000 0.289 453 S C -0.900 173.729 174.600 0.048 0.000 1.163 453 S CA -0.278 57.952 58.200 0.049 0.000 1.078 453 S CB -0.231 63.041 63.200 0.121 0.000 0.987 453 S HN 0.538 nan 8.310 nan 0.000 0.482 454 I N 3.611 124.195 120.570 0.024 0.000 2.619 454 I HA 0.356 4.526 4.170 -0.001 0.000 0.292 454 I C -0.393 175.749 176.117 0.041 0.000 1.100 454 I CA -0.687 60.640 61.300 0.044 0.000 1.043 454 I CB 2.382 40.387 38.000 0.009 0.000 1.239 454 I HN 0.561 nan 8.210 nan 0.000 0.420 455 E N 6.466 126.712 120.200 0.077 0.000 2.167 455 E HA 0.199 4.549 4.350 -0.001 0.000 0.284 455 E C -1.824 174.846 176.600 0.116 0.000 1.016 455 E CA -1.576 54.876 56.400 0.087 0.000 0.817 455 E CB 1.373 31.128 29.700 0.091 0.000 1.080 455 E HN 0.308 nan 8.360 nan 0.000 0.397 456 P HA -0.182 nan 4.420 nan 0.000 0.218 456 P C 0.995 178.489 177.300 0.323 0.000 1.146 456 P CA 1.059 64.277 63.100 0.196 0.000 0.813 456 P CB 0.242 32.009 31.700 0.112 0.000 0.778 457 L N -0.919 120.454 121.223 0.250 0.000 2.362 457 L HA -0.115 4.224 4.340 -0.001 0.000 0.219 457 L C 1.276 178.252 176.870 0.177 0.000 1.134 457 L CA 1.161 56.147 54.840 0.244 0.000 0.807 457 L CB -0.562 41.599 42.059 0.170 0.000 0.927 457 L HN -0.035 nan 8.230 nan 0.000 0.447 458 D N -0.468 120.025 120.400 0.155 0.000 2.340 458 D HA 0.010 4.649 4.640 -0.001 0.000 0.220 458 D C 2.228 178.603 176.300 0.125 0.000 1.039 458 D CA 0.251 54.316 54.000 0.108 0.000 0.866 458 D CB 0.326 41.180 40.800 0.090 0.000 0.913 458 D HN 0.267 nan 8.370 nan 0.000 0.523 459 L N 0.968 122.310 121.223 0.198 0.000 2.043 459 L HA -0.172 4.167 4.340 -0.001 0.000 0.212 459 L C -0.475 176.512 176.870 0.194 0.000 1.075 459 L CA 1.585 56.559 54.840 0.224 0.000 0.752 459 L CB -1.372 40.893 42.059 0.344 0.000 0.891 459 L HN 0.055 nan 8.230 nan 0.000 0.432 460 P HA -0.200 nan 4.420 nan 0.000 0.215 460 P C 1.358 178.737 177.300 0.131 0.000 1.157 460 P CA 1.302 64.460 63.100 0.097 0.000 0.868 460 P CB 0.056 31.636 31.700 -0.200 0.000 0.788 461 Q N -0.859 118.951 119.800 0.016 0.000 2.079 461 Q HA -0.094 4.246 4.340 -0.001 0.000 0.200 461 Q C 2.194 178.194 176.000 0.001 0.000 0.974 461 Q CA 1.308 57.106 55.803 -0.009 0.000 0.840 461 Q CB -1.052 27.662 28.738 -0.040 0.000 0.898 461 Q HN 0.250 nan 8.270 nan 0.000 0.430 462 I N 0.027 120.606 120.570 0.016 0.000 2.179 462 I HA -0.276 3.894 4.170 -0.001 0.000 0.242 462 I C 2.014 178.141 176.117 0.015 0.000 1.088 462 I CA 1.162 62.442 61.300 -0.033 0.000 1.357 462 I CB -0.265 37.766 38.000 0.052 0.000 1.051 462 I HN 0.188 nan 8.210 nan 0.000 0.409 463 I N 0.404 121.043 120.570 0.115 0.000 2.179 463 I HA -0.317 3.852 4.170 -0.001 0.000 0.242 463 I C 2.637 178.763 176.117 0.014 0.000 1.088 463 I CA 1.562 62.940 61.300 0.130 0.000 1.357 463 I CB -0.457 37.619 38.000 0.127 0.000 1.051 463 I HN 0.323 nan 8.210 nan 0.000 0.409 464 E N 1.106 121.342 120.200 0.059 0.000 2.038 464 E HA -0.265 4.085 4.350 -0.001 0.000 0.195 464 E C 2.433 179.018 176.600 -0.025 0.000 1.000 464 E CA 1.253 57.676 56.400 0.038 0.000 0.803 464 E CB 0.067 29.854 29.700 0.145 0.000 0.750 464 E HN 0.254 nan 8.360 nan 0.000 0.448 465 R N 0.156 120.627 120.500 -0.049 0.000 2.091 465 R HA -0.125 4.214 4.340 -0.001 0.000 0.238 465 R C 2.489 178.707 176.300 -0.135 0.000 1.136 465 R CA 1.118 57.160 56.100 -0.098 0.000 0.959 465 R CB -0.609 29.601 30.300 -0.150 0.000 0.856 465 R HN 0.379 nan 8.270 nan 0.000 0.437 466 L N -0.948 120.166 121.223 -0.183 0.000 2.162 466 L HA -0.043 4.296 4.340 -0.001 0.000 0.205 466 L C 1.807 178.377 176.870 -0.500 0.000 1.086 466 L CA 0.964 55.596 54.840 -0.345 0.000 0.778 466 L CB -0.307 41.482 42.059 -0.450 0.000 0.928 466 L HN 0.264 nan 8.230 nan 0.000 0.446 467 H N -0.855 118.141 119.070 -0.124 0.000 3.046 467 H HA 0.316 4.871 4.556 -0.001 0.000 0.262 467 H C 0.974 176.214 175.328 -0.147 0.000 1.044 467 H CA 0.751 56.714 56.048 -0.142 0.000 1.209 467 H CB 1.157 30.808 29.762 -0.185 0.000 1.507 467 H HN 0.281 nan 8.280 nan 0.000 0.507 468 G N 1.055 109.828 108.800 -0.045 0.000 2.756 468 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.678 468 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.678 468 G C 0.629 175.465 174.900 -0.107 0.000 1.349 468 G CA -0.165 44.908 45.100 -0.046 0.000 0.847 468 G HN 0.195 nan 8.290 nan 0.000 0.548 469 L N 1.003 122.229 121.223 0.005 0.000 2.275 469 L HA -0.055 4.285 4.340 -0.001 0.000 0.215 469 L C 3.212 180.102 176.870 0.032 0.000 1.119 469 L CA 1.961 56.870 54.840 0.114 0.000 0.790 469 L CB -0.591 41.612 42.059 0.240 0.000 0.919 469 L HN 0.888 nan 8.230 nan 0.000 0.443 470 S N 0.440 116.126 115.700 -0.024 0.000 2.419 470 S HA -0.232 4.237 4.470 -0.001 0.000 0.235 470 S C 2.209 176.738 174.600 -0.118 0.000 1.019 470 S CA 0.904 59.081 58.200 -0.040 0.000 0.982 470 S CB -0.488 62.678 63.200 -0.056 0.000 0.789 470 S HN 0.381 nan 8.310 nan 0.000 0.490 471 A N 1.283 123.948 122.820 -0.259 0.000 1.958 471 A HA -0.016 4.303 4.320 -0.001 0.000 0.221 471 A C 1.659 179.074 177.584 -0.281 0.000 1.178 471 A CA 1.584 53.386 52.037 -0.391 0.000 0.642 471 A CB -1.020 17.610 19.000 -0.616 0.000 0.816 471 A HN 0.612 nan 8.150 nan 0.000 0.453 472 F N -0.033 119.937 119.950 0.033 0.000 2.797 472 F HA 0.147 4.674 4.527 -0.001 0.000 0.302 472 F C 1.754 177.600 175.800 0.078 0.000 1.130 472 F CA 0.596 58.641 58.000 0.075 0.000 1.387 472 F CB -0.029 39.042 39.000 0.118 0.000 1.107 472 F HN 0.287 nan 8.300 nan 0.000 0.577 473 S N -1.761 114.045 115.700 0.178 0.000 2.993 473 S HA 0.283 4.752 4.470 -0.001 0.000 0.257 473 S C -0.047 174.622 174.600 0.115 0.000 0.997 473 S CA -0.421 57.873 58.200 0.157 0.000 1.191 473 S CB -0.712 62.571 63.200 0.139 0.000 1.143 473 S HN 0.048 nan 8.310 nan 0.000 0.655 474 L N 4.264 125.471 121.223 -0.027 0.000 2.483 474 L HA 0.394 4.734 4.340 -0.001 0.000 0.276 474 L C 0.800 177.541 176.870 -0.215 0.000 1.213 474 L CA 0.189 54.888 54.840 -0.235 0.000 0.843 474 L CB 0.147 41.919 42.059 -0.477 0.000 1.107 474 L HN 0.608 nan 8.230 nan 0.000 0.487 475 H N -0.372 118.457 119.070 -0.402 0.000 2.948 475 H HA 0.190 4.746 4.556 -0.001 0.000 0.315 475 H C -0.371 174.802 175.328 -0.258 0.000 1.360 475 H CA -0.757 55.118 56.048 -0.289 0.000 1.125 475 H CB 1.407 31.134 29.762 -0.058 0.000 1.844 475 H HN 0.453 nan 8.280 nan 0.000 0.529 476 S N 0.019 115.714 115.700 -0.009 0.000 3.711 476 S HA -0.203 4.267 4.470 -0.001 0.000 0.374 476 S C -0.422 174.192 174.600 0.023 0.000 0.969 476 S CA 0.435 58.663 58.200 0.046 0.000 1.198 476 S CB -2.334 60.858 63.200 -0.012 0.000 0.903 476 S HN 0.471 nan 8.310 nan 0.000 0.493 477 Y N 1.867 122.207 120.300 0.067 0.000 2.335 477 Y HA 0.271 4.820 4.550 -0.001 0.000 0.348 477 Y C 1.456 177.409 175.900 0.089 0.000 1.280 477 Y CA 0.537 58.676 58.100 0.065 0.000 1.504 477 Y CB 0.350 38.842 38.460 0.052 0.000 1.366 477 Y HN 0.508 nan 8.280 nan 0.000 0.621 478 S N 0.548 116.410 115.700 0.270 0.000 2.617 478 S HA 0.224 4.694 4.470 -0.001 0.000 0.269 478 S C -2.120 172.566 174.600 0.144 0.000 1.292 478 S CA -1.147 57.154 58.200 0.167 0.000 1.010 478 S CB 1.428 64.702 63.200 0.124 0.000 0.944 478 S HN 0.400 nan 8.310 nan 0.000 0.536 479 P HA 0.037 nan 4.420 nan 0.000 0.217 479 P C 1.751 179.091 177.300 0.067 0.000 1.150 479 P CA 1.471 64.620 63.100 0.081 0.000 0.832 479 P CB -0.425 31.314 31.700 0.064 0.000 0.787 480 G N 0.161 108.997 108.800 0.060 0.000 2.459 480 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.217 480 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.217 480 G C 1.679 176.606 174.900 0.044 0.000 1.183 480 G CA 1.091 46.217 45.100 0.043 0.000 0.776 480 G HN 0.245 nan 8.290 nan 0.000 0.552 481 E N 0.715 120.957 120.200 0.069 0.000 2.031 481 E HA -0.090 4.259 4.350 -0.001 0.000 0.193 481 E C 2.479 179.114 176.600 0.058 0.000 0.994 481 E CA 1.017 57.465 56.400 0.080 0.000 0.800 481 E CB -0.478 29.313 29.700 0.153 0.000 0.752 481 E HN 0.507 nan 8.360 nan 0.000 0.447 482 I N 0.758 121.371 120.570 0.072 0.000 2.163 482 I HA -0.308 3.861 4.170 -0.001 0.000 0.243 482 I C 2.171 178.308 176.117 0.034 0.000 1.085 482 I CA 1.223 62.551 61.300 0.048 0.000 1.347 482 I CB -0.437 37.610 38.000 0.078 0.000 1.044 482 I HN 0.181 nan 8.210 nan 0.000 0.408 483 N N 0.647 119.370 118.700 0.037 0.000 2.166 483 N HA -0.201 4.539 4.740 -0.001 0.000 0.186 483 N C 1.915 177.430 175.510 0.008 0.000 1.019 483 N CA 1.172 54.237 53.050 0.025 0.000 0.856 483 N CB -0.336 38.167 38.487 0.027 0.000 0.993 483 N HN 0.336 nan 8.380 nan 0.000 0.426 484 R N 0.772 121.272 120.500 0.000 0.000 2.073 484 R HA -0.047 4.292 4.340 -0.001 0.000 0.234 484 R C 1.933 178.203 176.300 -0.049 0.000 1.134 484 R CA 1.094 57.178 56.100 -0.027 0.000 0.952 484 R CB -0.254 30.024 30.300 -0.037 0.000 0.850 484 R HN -0.058 nan 8.270 nan 0.000 0.433 485 V N 1.329 121.216 119.914 -0.044 0.000 2.287 485 V HA -0.268 3.851 4.120 -0.001 0.000 0.248 485 V C 2.548 178.620 176.094 -0.036 0.000 1.053 485 V CA 2.057 64.320 62.300 -0.062 0.000 1.027 485 V CB -0.885 30.928 31.823 -0.016 0.000 0.646 485 V HN 0.598 nan 8.190 nan 0.000 0.447 486 A N -0.293 122.524 122.820 -0.005 0.000 1.902 486 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 486 A C 2.455 180.045 177.584 0.010 0.000 1.181 486 A CA 2.339 54.385 52.037 0.015 0.000 0.623 486 A CB -0.686 18.331 19.000 0.028 0.000 0.818 486 A HN 0.541 nan 8.150 nan 0.000 0.443 487 S N -1.210 114.491 115.700 0.000 0.000 2.383 487 S HA -0.182 4.287 4.470 -0.001 0.000 0.227 487 S C 1.997 176.594 174.600 -0.006 0.000 1.026 487 S CA 1.081 59.283 58.200 0.003 0.000 0.981 487 S CB -0.898 62.302 63.200 -0.000 0.000 0.818 487 S HN 0.800 nan 8.310 nan 0.000 0.472 488 C N 2.083 121.363 119.300 -0.033 0.000 2.425 488 C HA 0.062 4.521 4.460 -0.001 0.000 0.277 488 C C 2.376 177.345 174.990 -0.035 0.000 1.280 488 C CA 0.410 59.397 59.018 -0.052 0.000 1.744 488 C CB -1.597 26.072 27.740 -0.118 0.000 1.989 488 C HN 0.563 nan 8.230 nan 0.000 0.491 489 L N 0.279 121.487 121.223 -0.025 0.000 2.056 489 L HA -0.061 4.278 4.340 -0.001 0.000 0.207 489 L C 3.043 179.911 176.870 -0.003 0.000 1.078 489 L CA 1.467 56.303 54.840 -0.006 0.000 0.749 489 L CB -0.822 41.256 42.059 0.033 0.000 0.901 489 L HN 0.327 nan 8.230 nan 0.000 0.433 490 R N 0.449 120.960 120.500 0.017 0.000 2.092 490 R HA -0.179 4.160 4.340 -0.001 0.000 0.231 490 R C 2.322 178.671 176.300 0.081 0.000 1.119 490 R CA 1.250 57.373 56.100 0.038 0.000 0.970 490 R CB -0.256 30.072 30.300 0.047 0.000 0.864 490 R HN 0.313 nan 8.270 nan 0.000 0.440 491 K N 0.792 121.236 120.400 0.073 0.000 2.057 491 K HA -0.136 4.183 4.320 -0.001 0.000 0.207 491 K C 1.450 178.176 176.600 0.210 0.000 1.049 491 K CA 1.189 57.549 56.287 0.122 0.000 0.931 491 K CB 0.128 32.667 32.500 0.066 0.000 0.714 491 K HN 0.012 nan 8.250 nan 0.000 0.440 492 L N 0.028 121.294 121.223 0.072 0.000 2.509 492 L HA 0.221 4.560 4.340 -0.001 0.000 0.222 492 L C 1.139 177.821 176.870 -0.313 0.000 1.123 492 L CA 1.245 56.097 54.840 0.019 0.000 0.856 492 L CB 0.121 42.179 42.059 -0.001 0.000 0.985 492 L HN 0.504 nan 8.230 nan 0.000 0.456 493 G N -0.217 108.243 108.800 -0.567 0.000 2.182 493 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.248 493 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.248 493 G C 0.121 174.841 174.900 -0.300 0.000 1.042 493 G CA 0.169 44.748 45.100 -0.868 0.000 0.775 493 G HN 0.112 nan 8.290 nan 0.000 0.501 494 V N 0.870 120.713 119.914 -0.117 0.000 2.567 494 V HA 0.441 4.560 4.120 -0.001 0.000 0.289 494 V C -1.267 174.904 176.094 0.127 0.000 1.049 494 V CA -1.535 60.793 62.300 0.046 0.000 0.969 494 V CB 1.569 33.433 31.823 0.068 0.000 0.995 494 V HN 0.157 nan 8.190 nan 0.000 0.471 495 P HA 0.125 nan 4.420 nan 0.000 0.267 495 P C -2.463 174.995 177.300 0.264 0.000 1.200 495 P CA -0.789 62.382 63.100 0.119 0.000 0.772 495 P CB -0.155 31.473 31.700 -0.120 0.000 0.855 496 P HA 0.007 nan 4.420 nan 0.000 0.269 496 P C 0.935 178.410 177.300 0.292 0.000 1.215 496 P CA 0.152 63.354 63.100 0.171 0.000 0.780 496 P CB 0.724 32.474 31.700 0.083 0.000 0.898 497 L N 1.235 122.638 121.223 0.301 0.000 2.129 497 L HA -0.241 4.099 4.340 -0.001 0.000 0.212 497 L C 2.862 179.913 176.870 0.301 0.000 1.087 497 L CA 1.790 56.843 54.840 0.356 0.000 0.757 497 L CB -0.808 41.366 42.059 0.191 0.000 0.896 497 L HN 0.497 nan 8.230 nan 0.000 0.434 498 R N -0.255 120.355 120.500 0.183 0.000 2.105 498 R HA -0.123 4.216 4.340 -0.001 0.000 0.239 498 R C 2.020 178.386 176.300 0.110 0.000 1.135 498 R CA 1.558 57.743 56.100 0.142 0.000 0.967 498 R CB -1.183 29.165 30.300 0.079 0.000 0.861 498 R HN 0.195 nan 8.270 nan 0.000 0.442 499 V N 0.789 120.707 119.914 0.007 0.000 2.295 499 V HA -0.208 3.911 4.120 -0.001 0.000 0.246 499 V C 2.123 178.127 176.094 -0.150 0.000 1.049 499 V CA 1.946 64.150 62.300 -0.160 0.000 1.024 499 V CB -0.778 30.825 31.823 -0.367 0.000 0.648 499 V HN 0.355 nan 8.190 nan 0.000 0.447 500 W N 0.279 121.679 121.300 0.167 0.000 2.325 500 W HA -0.199 4.460 4.660 -0.001 0.000 0.299 500 W C 2.756 179.488 176.519 0.355 0.000 1.215 500 W CA 1.834 59.321 57.345 0.237 0.000 1.244 500 W CB -0.347 29.241 29.460 0.214 0.000 1.140 500 W HN 0.094 nan 8.180 nan 0.000 0.523 501 R N -0.500 120.325 120.500 0.541 0.000 2.092 501 R HA -0.203 4.137 4.340 -0.001 0.000 0.231 501 R C 2.067 178.515 176.300 0.246 0.000 1.119 501 R CA 1.997 58.411 56.100 0.524 0.000 0.970 501 R CB -0.651 29.932 30.300 0.472 0.000 0.864 501 R HN 0.250 nan 8.270 nan 0.000 0.440 502 H N 0.317 119.442 119.070 0.092 0.000 2.293 502 H HA -0.027 4.528 4.556 -0.001 0.000 0.300 502 H C 1.985 177.294 175.328 -0.033 0.000 1.082 502 H CA 2.264 58.311 56.048 -0.001 0.000 1.308 502 H CB 0.130 29.869 29.762 -0.037 0.000 1.375 502 H HN 0.133 nan 8.280 nan 0.000 0.495 503 R N -0.212 120.329 120.500 0.069 0.000 2.096 503 R HA -0.066 4.273 4.340 -0.001 0.000 0.235 503 R C 2.510 178.779 176.300 -0.051 0.000 1.127 503 R CA 0.933 57.025 56.100 -0.013 0.000 0.968 503 R CB -0.265 30.031 30.300 -0.008 0.000 0.861 503 R HN 0.386 nan 8.270 nan 0.000 0.440 504 A N 1.249 124.087 122.820 0.030 0.000 1.972 504 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 504 A C 2.036 179.364 177.584 -0.426 0.000 1.169 504 A CA 1.131 53.060 52.037 -0.180 0.000 0.635 504 A CB -0.298 18.680 19.000 -0.036 0.000 0.810 504 A HN 0.222 nan 8.150 nan 0.000 0.446 505 R N -0.603 119.711 120.500 -0.310 0.000 2.081 505 R HA -0.109 4.230 4.340 -0.001 0.000 0.235 505 R C 2.667 178.786 176.300 -0.302 0.000 1.131 505 R CA 1.546 57.460 56.100 -0.309 0.000 0.960 505 R CB -0.431 29.709 30.300 -0.266 0.000 0.856 505 R HN 0.568 nan 8.270 nan 0.000 0.436 506 S N 0.293 115.822 115.700 -0.286 0.000 2.348 506 S HA -0.106 4.363 4.470 -0.001 0.000 0.221 506 S C 2.074 176.528 174.600 -0.243 0.000 1.033 506 S CA 1.349 59.410 58.200 -0.233 0.000 1.010 506 S CB -0.199 62.885 63.200 -0.194 0.000 0.891 506 S HN 0.119 nan 8.310 nan 0.000 0.442 507 V N 2.768 122.497 119.914 -0.309 0.000 2.332 507 V HA -0.175 3.944 4.120 -0.001 0.000 0.248 507 V C 2.760 178.569 176.094 -0.475 0.000 1.055 507 V CA 2.331 64.412 62.300 -0.365 0.000 1.038 507 V CB -0.913 30.629 31.823 -0.468 0.000 0.651 507 V HN 0.543 nan 8.190 nan 0.000 0.450 508 R N 0.414 120.529 120.500 -0.642 0.000 2.080 508 R HA -0.185 4.155 4.340 -0.001 0.000 0.236 508 R C 2.320 178.484 176.300 -0.228 0.000 1.137 508 R CA 1.889 57.716 56.100 -0.456 0.000 0.943 508 R CB -0.548 29.515 30.300 -0.395 0.000 0.846 508 R HN 0.450 nan 8.270 nan 0.000 0.431 509 A N 1.065 123.761 122.820 -0.207 0.000 1.908 509 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 509 A C 2.241 179.765 177.584 -0.100 0.000 1.181 509 A CA 1.713 53.669 52.037 -0.135 0.000 0.627 509 A CB -0.493 18.428 19.000 -0.131 0.000 0.818 509 A HN 0.401 nan 8.150 nan 0.000 0.445 510 R N -0.576 119.860 120.500 -0.107 0.000 2.081 510 R HA -0.043 4.296 4.340 -0.001 0.000 0.235 510 R C 2.082 178.364 176.300 -0.031 0.000 1.131 510 R CA 1.506 57.569 56.100 -0.062 0.000 0.960 510 R CB -0.505 29.761 30.300 -0.058 0.000 0.856 510 R HN 0.545 nan 8.270 nan 0.000 0.436 511 L N 0.209 121.408 121.223 -0.039 0.000 1.994 511 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 511 L C 2.290 179.163 176.870 0.004 0.000 1.071 511 L CA 1.282 56.127 54.840 0.010 0.000 0.745 511 L CB -0.503 41.563 42.059 0.013 0.000 0.892 511 L HN 0.202 nan 8.230 nan 0.000 0.431 512 L N -0.853 120.356 121.223 -0.023 0.000 2.013 512 L HA -0.252 4.087 4.340 -0.001 0.000 0.212 512 L C 2.658 179.521 176.870 -0.012 0.000 1.073 512 L CA 1.277 56.106 54.840 -0.018 0.000 0.753 512 L CB -0.626 41.410 42.059 -0.039 0.000 0.890 512 L HN 0.201 nan 8.230 nan 0.000 0.432 513 S N -0.729 114.960 115.700 -0.019 0.000 2.465 513 S HA -0.154 4.315 4.470 -0.001 0.000 0.241 513 S C 1.785 176.385 174.600 0.000 0.000 1.000 513 S CA 0.921 59.113 58.200 -0.014 0.000 0.964 513 S CB -0.133 63.055 63.200 -0.020 0.000 0.763 513 S HN 0.466 nan 8.310 nan 0.000 0.512 514 Q N 0.490 120.296 119.800 0.010 0.000 2.424 514 Q HA 0.239 4.579 4.340 -0.001 0.000 0.204 514 Q C 1.386 177.400 176.000 0.024 0.000 0.933 514 Q CA 0.475 56.291 55.803 0.022 0.000 0.929 514 Q CB -0.494 28.267 28.738 0.040 0.000 1.037 514 Q HN 0.484 nan 8.270 nan 0.000 0.511 515 G N 0.734 109.545 108.800 0.019 0.000 2.801 515 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.244 515 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.244 515 G C 0.517 175.434 174.900 0.028 0.000 1.385 515 G CA 0.342 45.453 45.100 0.019 0.000 0.894 515 G HN 0.759 nan 8.290 nan 0.000 0.562 516 G N -0.908 107.907 108.800 0.026 0.000 2.574 516 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.282 516 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.282 516 G C 1.039 175.959 174.900 0.035 0.000 1.257 516 G CA 1.356 46.473 45.100 0.029 0.000 0.956 516 G HN 1.548 nan 8.290 nan 0.000 0.560 517 R N 0.128 120.652 120.500 0.041 0.000 2.091 517 R HA 0.064 4.404 4.340 -0.001 0.000 0.238 517 R C 3.293 179.632 176.300 0.065 0.000 1.136 517 R CA 2.581 58.709 56.100 0.047 0.000 0.959 517 R CB -0.731 29.605 30.300 0.061 0.000 0.856 517 R HN 0.844 nan 8.270 nan 0.000 0.437 518 A N 1.081 123.951 122.820 0.082 0.000 1.892 518 A HA -0.220 4.100 4.320 -0.001 0.000 0.218 518 A C 2.383 180.005 177.584 0.064 0.000 1.188 518 A CA 1.994 54.091 52.037 0.100 0.000 0.631 518 A CB -0.976 18.083 19.000 0.097 0.000 0.822 518 A HN 0.432 nan 8.150 nan 0.000 0.447 519 A N -1.319 121.529 122.820 0.046 0.000 1.933 519 A HA -0.080 4.240 4.320 -0.001 0.000 0.218 519 A C 2.300 179.911 177.584 0.046 0.000 1.175 519 A CA 2.304 54.361 52.037 0.033 0.000 0.628 519 A CB -1.250 17.765 19.000 0.024 0.000 0.814 519 A HN 0.456 nan 8.150 nan 0.000 0.444 520 T N -0.869 113.715 114.554 0.050 0.000 2.746 520 T HA -0.185 4.165 4.350 -0.001 0.000 0.267 520 T C 1.901 176.632 174.700 0.052 0.000 1.039 520 T CA 1.536 63.676 62.100 0.068 0.000 1.142 520 T CB -0.677 68.178 68.868 -0.021 0.000 0.866 520 T HN 0.568 nan 8.240 nan 0.000 0.444 521 C N 1.329 120.632 119.300 0.005 0.000 2.413 521 C HA 0.002 4.461 4.460 -0.001 0.000 0.276 521 C C 3.099 178.071 174.990 -0.031 0.000 1.248 521 C CA 0.678 59.656 59.018 -0.067 0.000 1.742 521 C CB -1.492 26.196 27.740 -0.086 0.000 2.017 521 C HN 0.745 nan 8.230 nan 0.000 0.481 522 G N -0.315 108.513 108.800 0.046 0.000 2.408 522 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.217 522 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.217 522 G C 1.647 176.594 174.900 0.078 0.000 1.150 522 G CA 0.952 46.125 45.100 0.121 0.000 0.776 522 G HN 0.628 nan 8.290 nan 0.000 0.542 523 K N -0.883 119.534 120.400 0.028 0.000 2.025 523 K HA -0.076 4.244 4.320 -0.001 0.000 0.207 523 K C 2.181 178.664 176.600 -0.196 0.000 1.049 523 K CA 1.213 57.463 56.287 -0.062 0.000 0.933 523 K CB -0.221 32.264 32.500 -0.024 0.000 0.714 523 K HN 0.388 nan 8.250 nan 0.000 0.438 524 Y N 0.590 120.697 120.300 -0.322 0.000 2.262 524 Y HA 0.023 4.572 4.550 -0.001 0.000 0.295 524 Y C 1.980 177.569 175.900 -0.519 0.000 1.121 524 Y CA 0.646 58.368 58.100 -0.630 0.000 1.144 524 Y CB -0.205 37.554 38.460 -1.167 0.000 1.043 524 Y HN -0.059 nan 8.280 nan 0.000 0.528 525 L N -1.594 119.484 121.223 -0.242 0.000 2.131 525 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 525 L C 0.832 177.445 176.870 -0.427 0.000 1.092 525 L CA 1.515 56.172 54.840 -0.307 0.000 0.759 525 L CB -0.437 41.229 42.059 -0.654 0.000 0.903 525 L HN 0.191 nan 8.230 nan 0.000 0.435 526 F N -1.684 118.205 119.950 -0.102 0.000 2.698 526 F HA 0.171 4.698 4.527 -0.001 0.000 0.304 526 F C 1.612 177.083 175.800 -0.548 0.000 1.108 526 F CA -0.395 57.326 58.000 -0.464 0.000 1.263 526 F CB -0.473 38.259 39.000 -0.447 0.000 1.013 526 F HN -0.067 nan 8.300 nan 0.000 0.532 527 N N 1.170 119.788 118.700 -0.136 0.000 2.348 527 N HA -0.204 4.535 4.740 -0.001 0.000 0.185 527 N C 1.880 177.358 175.510 -0.055 0.000 1.019 527 N CA 1.553 54.537 53.050 -0.111 0.000 0.880 527 N CB -0.187 38.243 38.487 -0.094 0.000 0.965 527 N HN 0.545 nan 8.380 nan 0.000 0.437 528 W N -0.923 120.426 121.300 0.082 0.000 2.595 528 W HA 0.210 4.870 4.660 -0.000 0.000 0.257 528 W C 1.224 177.808 176.519 0.108 0.000 1.267 528 W CA 0.553 57.954 57.345 0.094 0.000 1.300 528 W CB -0.784 28.748 29.460 0.120 0.000 1.120 528 W HN 0.060 nan 8.180 nan 0.000 0.618 529 A N 1.545 124.022 122.820 -0.571 0.000 2.132 529 A HA 0.192 4.511 4.320 -0.001 0.000 0.213 529 A C 1.128 178.604 177.584 -0.179 0.000 1.154 529 A CA 0.995 52.734 52.037 -0.497 0.000 0.753 529 A CB -0.808 17.632 19.000 -0.933 0.000 0.826 529 A HN 0.101 nan 8.150 nan 0.000 0.469 530 V N -3.036 116.789 119.914 -0.148 0.000 2.837 530 V HA 0.414 4.533 4.120 -0.001 0.000 0.310 530 V C 0.759 176.831 176.094 -0.037 0.000 1.059 530 V CA -0.723 61.522 62.300 -0.091 0.000 1.004 530 V CB 1.366 33.123 31.823 -0.108 0.000 1.045 530 V HN 0.358 nan 8.190 nan 0.000 0.465 531 K N 1.129 121.510 120.400 -0.031 0.000 2.007 531 K HA 0.043 4.363 4.320 -0.001 0.000 0.206 531 K C 0.741 177.324 176.600 -0.028 0.000 1.047 531 K CA 1.519 57.796 56.287 -0.017 0.000 0.937 531 K CB -0.315 32.176 32.500 -0.015 0.000 0.718 531 K HN 0.781 nan 8.250 nan 0.000 0.438 532 T N 3.543 118.074 114.554 -0.038 0.000 3.162 532 T HA 0.139 4.488 4.350 -0.001 0.000 0.316 532 T C -0.257 174.412 174.700 -0.052 0.000 1.182 532 T CA -0.472 61.603 62.100 -0.041 0.000 1.015 532 T CB 0.229 69.073 68.868 -0.041 0.000 1.089 532 T HN 0.011 nan 8.240 nan 0.000 0.646 533 K N 2.040 122.411 120.400 -0.049 0.000 2.402 533 K HA 0.186 4.506 4.320 -0.001 0.000 0.265 533 K C 0.181 176.736 176.600 -0.074 0.000 0.978 533 K CA -0.377 55.875 56.287 -0.059 0.000 0.913 533 K CB 0.440 32.913 32.500 -0.045 0.000 0.954 533 K HN 0.228 nan 8.250 nan 0.000 0.511 534 L N 1.194 122.356 121.223 -0.102 0.000 2.376 534 L HA 0.208 4.547 4.340 -0.001 0.000 0.267 534 L C 1.598 178.391 176.870 -0.129 0.000 1.035 534 L CA -0.175 54.592 54.840 -0.121 0.000 0.800 534 L CB 0.518 42.479 42.059 -0.163 0.000 1.290 534 L HN 0.533 nan 8.230 nan 0.000 0.462 535 K N 1.050 121.376 120.400 -0.124 0.000 1.965 535 K HA 0.039 4.359 4.320 -0.001 0.000 0.214 535 K C -0.603 175.911 176.600 -0.142 0.000 1.046 535 K CA 1.097 57.323 56.287 -0.101 0.000 0.944 535 K CB -0.223 32.236 32.500 -0.068 0.000 0.726 535 K HN 0.309 nan 8.250 nan 0.000 0.441 536 L N 0.779 121.853 121.223 -0.249 0.000 2.629 536 L HA -0.151 4.188 4.340 -0.001 0.000 0.595 536 L C -0.542 176.311 176.870 -0.028 0.000 1.000 536 L CA 1.384 56.001 54.840 -0.372 0.000 1.304 536 L CB -2.329 39.506 42.059 -0.373 0.000 1.841 536 L HN 0.715 nan 8.230 nan 0.000 0.901 537 T N 1.305 115.937 114.554 0.131 0.000 2.865 537 T HA 0.921 5.270 4.350 -0.001 0.000 0.294 537 T C -2.770 172.079 174.700 0.249 0.000 1.119 537 T CA -2.253 59.946 62.100 0.166 0.000 1.007 537 T CB 2.370 71.297 68.868 0.099 0.000 1.225 537 T HN 0.239 nan 8.240 nan 0.000 0.515 538 P HA 0.182 nan 4.420 nan 0.000 0.266 538 P C -0.743 176.605 177.300 0.080 0.000 1.180 538 P CA 0.048 63.218 63.100 0.117 0.000 0.765 538 P CB 0.167 31.909 31.700 0.071 0.000 0.806 539 I N 4.759 125.334 120.570 0.008 0.000 2.312 539 I HA 0.174 4.343 4.170 -0.001 0.000 0.290 539 I C -1.345 174.751 176.117 -0.036 0.000 1.008 539 I CA -2.165 59.097 61.300 -0.063 0.000 1.226 539 I CB 1.577 39.455 38.000 -0.204 0.000 1.371 539 I HN 0.300 nan 8.210 nan 0.000 0.468 540 P HA -0.300 nan 4.420 nan 0.000 0.217 540 P C 1.472 178.758 177.300 -0.023 0.000 1.162 540 P CA 1.650 64.742 63.100 -0.014 0.000 0.901 540 P CB 0.267 31.963 31.700 -0.007 0.000 0.793 541 A N -0.626 122.174 122.820 -0.032 0.000 2.015 541 A HA -0.051 4.268 4.320 -0.001 0.000 0.219 541 A C 2.276 179.834 177.584 -0.042 0.000 1.163 541 A CA 1.706 53.724 52.037 -0.032 0.000 0.646 541 A CB -1.484 17.498 19.000 -0.030 0.000 0.806 541 A HN 0.203 nan 8.150 nan 0.000 0.448 542 A N 0.648 123.438 122.820 -0.050 0.000 1.986 542 A HA -0.179 4.140 4.320 -0.001 0.000 0.220 542 A C 2.444 179.990 177.584 -0.063 0.000 1.171 542 A CA 2.384 54.387 52.037 -0.057 0.000 0.640 542 A CB -0.955 18.017 19.000 -0.047 0.000 0.811 542 A HN 1.065 nan 8.150 nan 0.000 0.451 543 S N 0.051 115.722 115.700 -0.048 0.000 2.481 543 S HA -0.186 4.283 4.470 -0.001 0.000 0.231 543 S C 1.848 176.416 174.600 -0.053 0.000 0.996 543 S CA 1.020 59.191 58.200 -0.048 0.000 0.942 543 S CB -0.465 62.716 63.200 -0.031 0.000 0.768 543 S HN 0.867 nan 8.310 nan 0.000 0.520 544 Q N 0.656 120.427 119.800 -0.048 0.000 2.354 544 Q HA 0.253 4.592 4.340 -0.001 0.000 0.203 544 Q C 0.445 176.411 176.000 -0.058 0.000 0.933 544 Q CA -0.044 55.732 55.803 -0.044 0.000 0.901 544 Q CB -0.555 28.166 28.738 -0.029 0.000 1.007 544 Q HN 0.474 nan 8.270 nan 0.000 0.495 545 L N 3.135 124.311 121.223 -0.079 0.000 2.513 545 L HA 0.031 4.371 4.340 -0.001 0.000 0.272 545 L C 0.237 177.022 176.870 -0.143 0.000 1.187 545 L CA -0.063 54.713 54.840 -0.107 0.000 0.895 545 L CB 0.233 42.202 42.059 -0.151 0.000 1.147 545 L HN 0.159 nan 8.230 nan 0.000 0.483 546 D N 4.378 124.710 120.400 -0.113 0.000 2.453 546 D HA 0.098 4.737 4.640 -0.001 0.000 0.223 546 D C 0.313 176.490 176.300 -0.204 0.000 1.183 546 D CA -0.328 53.605 54.000 -0.112 0.000 0.933 546 D CB 0.977 41.751 40.800 -0.043 0.000 1.038 546 D HN 0.289 nan 8.370 nan 0.000 0.513 547 L N 2.758 123.770 121.223 -0.352 0.000 2.653 547 L HA 0.053 4.392 4.340 -0.001 0.000 0.232 547 L C 0.964 177.655 176.870 -0.298 0.000 1.169 547 L CA 0.035 54.462 54.840 -0.687 0.000 0.951 547 L CB -0.722 40.856 42.059 -0.802 0.000 1.181 547 L HN 0.240 nan 8.230 nan 0.000 0.460 548 S N -0.891 114.750 115.700 -0.098 0.000 2.531 548 S HA 0.500 4.969 4.470 -0.001 0.000 0.279 548 S C 1.315 175.974 174.600 0.099 0.000 1.305 548 S CA 0.086 58.290 58.200 0.007 0.000 1.058 548 S CB 1.019 64.216 63.200 -0.004 0.000 0.899 548 S HN 0.550 nan 8.310 nan 0.000 0.493 549 G N 2.567 111.452 108.800 0.141 0.000 2.194 549 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.236 549 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.236 549 G C 0.481 175.572 174.900 0.319 0.000 0.987 549 G CA 0.163 45.365 45.100 0.170 0.000 0.635 549 G HN 0.673 nan 8.290 nan 0.000 0.520 550 W N 0.211 121.466 121.300 -0.075 0.000 2.381 550 W HA 0.441 5.100 4.660 -0.001 0.000 0.301 550 W C 1.170 177.318 176.519 -0.620 0.000 1.205 550 W CA 1.286 58.381 57.345 -0.416 0.000 1.285 550 W CB -0.321 28.682 29.460 -0.761 0.000 1.133 550 W HN 0.204 nan 8.180 nan 0.000 0.521 551 F N -0.800 119.350 119.950 0.334 0.000 2.542 551 F HA 0.309 4.835 4.527 -0.001 0.000 0.323 551 F C 0.573 176.527 175.800 0.256 0.000 1.411 551 F CA -0.526 57.661 58.000 0.311 0.000 1.124 551 F CB -0.119 39.020 39.000 0.231 0.000 1.331 551 F HN -0.395 nan 8.300 nan 0.000 0.560 552 V N -0.007 120.124 119.914 0.361 0.000 2.854 552 V HA 0.586 4.705 4.120 -0.001 0.000 0.236 552 V C 0.935 177.183 176.094 0.256 0.000 1.157 552 V CA 0.764 63.221 62.300 0.261 0.000 1.187 552 V CB 0.480 32.438 31.823 0.224 0.000 0.949 552 V HN 0.396 nan 8.190 nan 0.000 0.488 553 A N -0.812 122.123 122.820 0.192 0.000 2.564 553 A HA 0.806 5.125 4.320 -0.001 0.000 0.288 553 A C -0.236 177.020 177.584 -0.547 0.000 1.164 553 A CA 0.057 52.054 52.037 -0.067 0.000 0.712 553 A CB 1.218 20.017 19.000 -0.334 0.000 1.303 553 A HN 0.409 nan 8.150 nan 0.000 0.418 554 G N -1.442 106.735 108.800 -1.038 0.000 2.367 554 G HA2 0.544 4.504 3.960 -0.001 0.000 0.314 554 G HA3 0.544 4.504 3.960 -0.001 0.000 0.314 554 G C -0.979 173.257 174.900 -1.107 0.000 1.130 554 G CA -0.081 43.996 45.100 -1.705 0.000 0.864 554 G HN 0.573 nan 8.290 nan 0.000 0.486 555 Y N 0.820 120.899 120.300 -0.368 0.000 2.768 555 Y HA 0.300 4.849 4.550 -0.001 0.000 0.249 555 Y C 1.337 177.160 175.900 -0.129 0.000 1.146 555 Y CA -0.798 57.195 58.100 -0.178 0.000 1.171 555 Y CB 0.519 38.910 38.460 -0.115 0.000 1.249 555 Y HN 0.514 nan 8.280 nan 0.000 0.567 556 S N 0.645 116.319 115.700 -0.043 0.000 2.563 556 S HA 0.306 4.775 4.470 -0.001 0.000 0.294 556 S C 1.500 176.120 174.600 0.035 0.000 1.279 556 S CA 1.515 59.721 58.200 0.010 0.000 1.069 556 S CB 0.107 63.320 63.200 0.021 0.000 0.828 556 S HN 1.057 nan 8.310 nan 0.000 0.497 557 G N 3.643 112.463 108.800 0.033 0.000 2.212 557 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.266 557 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.266 557 G C 0.946 175.871 174.900 0.042 0.000 0.978 557 G CA 0.475 45.598 45.100 0.039 0.000 0.632 557 G HN 1.390 nan 8.290 nan 0.000 0.537 558 G N 0.036 108.869 108.800 0.055 0.000 2.848 558 G HA2 0.331 4.291 3.960 -0.001 0.000 0.208 558 G HA3 0.331 4.291 3.960 -0.001 0.000 0.208 558 G C 0.531 175.449 174.900 0.029 0.000 1.152 558 G CA 1.190 46.338 45.100 0.080 0.000 0.789 558 G HN 1.358 nan 8.290 nan 0.000 0.531 559 D N -0.692 119.692 120.400 -0.027 0.000 2.705 559 D HA -0.160 4.479 4.640 -0.001 0.000 0.240 559 D C -0.233 176.000 176.300 -0.110 0.000 1.137 559 D CA 0.315 54.272 54.000 -0.072 0.000 0.677 559 D CB -1.108 39.661 40.800 -0.051 0.000 1.049 559 D HN 0.082 nan 8.370 nan 0.000 0.427 560 I N 1.475 121.938 120.570 -0.178 0.000 2.441 560 I HA 0.424 4.593 4.170 -0.001 0.000 0.295 560 I C -0.069 175.792 176.117 -0.426 0.000 0.994 560 I CA -0.779 60.311 61.300 -0.351 0.000 1.144 560 I CB 1.243 38.892 38.000 -0.586 0.000 1.314 560 I HN 0.130 nan 8.210 nan 0.000 0.445 561 Y N 5.822 125.766 120.300 -0.594 0.000 2.499 561 Y HA 0.571 5.120 4.550 -0.001 0.000 0.347 561 Y C -0.820 174.742 175.900 -0.563 0.000 0.987 561 Y CA -0.398 57.363 58.100 -0.565 0.000 1.044 561 Y CB 1.675 39.946 38.460 -0.316 0.000 1.245 561 Y HN 0.675 nan 8.280 nan 0.000 0.461 562 H N 0.000 118.305 119.070 -1.276 0.000 2.539 562 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 562 H CA 0.000 55.474 56.048 -0.957 0.000 1.023 562 H CB 0.000 29.204 29.762 -0.929 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496