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 2wrm_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI 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 K 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 0.000 174.579 174.600 -0.036 0.000 1.055 1 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 1 S CB 0.000 63.172 63.200 -0.046 0.000 0.593 2 M N 3.119 122.692 119.600 -0.046 0.000 2.219 2 M HA 0.253 4.731 4.480 -0.004 0.000 0.353 2 M C 1.906 178.111 176.300 -0.158 0.000 1.304 2 M CA 0.015 55.278 55.300 -0.062 0.000 1.115 2 M CB 0.509 33.088 32.600 -0.035 0.000 1.664 2 M HN 1.057 nan 8.290 nan 0.000 0.459 3 S N 2.864 118.414 115.700 -0.249 0.000 2.382 3 S HA -0.087 4.381 4.470 -0.004 0.000 0.228 3 S C 0.180 174.391 174.600 -0.648 0.000 1.027 3 S CA 0.924 58.858 58.200 -0.443 0.000 0.991 3 S CB -0.180 62.675 63.200 -0.575 0.000 0.823 3 S HN 0.642 nan 8.310 nan 0.000 0.469 4 Y N 0.010 120.150 120.300 -0.267 0.000 2.553 4 Y HA 0.579 5.127 4.550 -0.003 0.000 0.347 4 Y C -0.126 175.479 175.900 -0.491 0.000 1.019 4 Y CA -1.002 56.815 58.100 -0.472 0.000 1.032 4 Y CB 2.145 40.178 38.460 -0.712 0.000 1.284 4 Y HN -0.140 nan 8.280 nan 0.000 0.466 5 T N 1.453 115.757 114.554 -0.416 0.000 2.863 5 T HA 0.429 4.776 4.350 -0.004 0.000 0.285 5 T C -1.344 173.076 174.700 -0.466 0.000 1.009 5 T CA -0.787 61.123 62.100 -0.317 0.000 0.989 5 T CB 0.653 69.452 68.868 -0.116 0.000 1.004 5 T HN 0.453 nan 8.240 nan 0.000 0.455 6 W N 0.875 122.230 121.300 0.092 0.000 2.689 6 W HA 0.430 5.088 4.660 -0.002 0.000 0.340 6 W C 1.423 177.971 176.519 0.049 0.000 1.060 6 W CA -0.919 56.466 57.345 0.066 0.000 1.218 6 W CB 1.236 30.718 29.460 0.037 0.000 1.410 6 W HN 0.774 nan 8.180 nan 0.000 0.528 7 T N -2.566 112.167 114.554 0.299 0.000 3.040 7 T HA 0.338 4.686 4.350 -0.004 0.000 0.252 7 T C 1.413 176.197 174.700 0.141 0.000 1.064 7 T CA 0.875 63.078 62.100 0.172 0.000 1.110 7 T CB 0.115 69.062 68.868 0.132 0.000 0.921 7 T HN 1.163 nan 8.240 nan 0.000 0.480 8 G N 1.345 110.235 108.800 0.150 0.000 2.253 8 G HA2 0.054 4.012 3.960 -0.004 0.000 0.209 8 G HA3 0.054 4.012 3.960 -0.004 0.000 0.209 8 G C 0.394 175.324 174.900 0.050 0.000 0.997 8 G CA -0.138 45.007 45.100 0.076 0.000 0.640 8 G HN 1.077 nan 8.290 nan 0.000 0.496 9 A N 0.914 123.776 122.820 0.071 0.000 2.483 9 A HA 0.626 4.944 4.320 -0.004 0.000 0.238 9 A C 0.740 178.342 177.584 0.029 0.000 1.070 9 A CA 0.313 52.380 52.037 0.049 0.000 0.770 9 A CB 0.142 19.179 19.000 0.062 0.000 1.008 9 A HN 0.928 nan 8.150 nan 0.000 0.497 10 L N 1.770 122.997 121.223 0.007 0.000 2.399 10 L HA 0.335 4.673 4.340 -0.004 0.000 0.266 10 L C 0.029 176.892 176.870 -0.012 0.000 1.114 10 L CA -0.429 54.398 54.840 -0.022 0.000 0.804 10 L CB 0.796 42.843 42.059 -0.020 0.000 1.146 10 L HN 0.548 nan 8.230 nan 0.000 0.451 11 I N 1.951 122.496 120.570 -0.040 0.000 2.436 11 I HA 0.066 4.234 4.170 -0.004 0.000 0.289 11 I C 0.487 176.602 176.117 -0.004 0.000 1.083 11 I CA 0.140 61.429 61.300 -0.018 0.000 1.372 11 I CB 0.559 38.531 38.000 -0.046 0.000 1.408 11 I HN 0.679 nan 8.210 nan 0.000 0.516 12 T N 5.025 119.587 114.554 0.013 0.000 2.918 12 T HA 0.615 4.962 4.350 -0.004 0.000 0.286 12 T C -2.503 172.216 174.700 0.031 0.000 1.026 12 T CA -2.060 60.051 62.100 0.018 0.000 1.031 12 T CB 1.978 70.856 68.868 0.017 0.000 1.046 12 T HN 0.254 nan 8.240 nan 0.000 0.479 13 P HA 0.326 nan 4.420 nan 0.000 0.278 13 P C 0.393 177.720 177.300 0.044 0.000 1.266 13 P CA -0.742 62.384 63.100 0.043 0.000 0.807 13 P CB 0.690 32.415 31.700 0.042 0.000 1.094 14 C N -1.720 117.610 119.300 0.050 0.000 3.115 14 C HA 0.878 5.336 4.460 -0.004 0.000 0.277 14 C C 0.291 175.309 174.990 0.045 0.000 1.460 14 C CA -0.339 58.708 59.018 0.048 0.000 1.789 14 C CB -1.078 26.697 27.740 0.059 0.000 2.674 14 C HN 0.752 nan 8.230 nan 0.000 0.582 15 A N 0.200 123.048 122.820 0.046 0.000 2.522 15 A HA 0.716 5.033 4.320 -0.004 0.000 0.294 15 A C -0.385 177.230 177.584 0.053 0.000 1.001 15 A CA 0.051 52.117 52.037 0.049 0.000 0.642 15 A CB -0.595 18.437 19.000 0.053 0.000 1.326 15 A HN 1.777 nan 8.150 nan 0.000 0.435 16 A N 0.343 123.196 122.820 0.056 0.000 2.531 16 A HA 0.502 4.820 4.320 -0.004 0.000 0.236 16 A C 0.144 177.773 177.584 0.076 0.000 1.062 16 A CA 0.799 52.873 52.037 0.062 0.000 0.760 16 A CB -0.206 18.828 19.000 0.057 0.000 0.995 16 A HN 0.648 nan 8.150 nan 0.000 0.501 17 E N 0.554 120.803 120.200 0.081 0.000 2.199 17 E HA 0.374 4.722 4.350 -0.004 0.000 0.265 17 E C -1.041 175.636 176.600 0.129 0.000 0.882 17 E CA -0.627 55.832 56.400 0.099 0.000 0.759 17 E CB 1.682 31.432 29.700 0.083 0.000 1.148 17 E HN 0.653 nan 8.360 nan 0.000 0.412 18 E N 1.227 121.538 120.200 0.186 0.000 2.175 18 E HA 0.173 4.521 4.350 -0.004 0.000 0.278 18 E C -0.114 176.682 176.600 0.326 0.000 0.969 18 E CA -0.295 56.258 56.400 0.256 0.000 0.796 18 E CB 1.138 31.045 29.700 0.345 0.000 1.104 18 E HN 0.411 nan 8.360 nan 0.000 0.395 19 S N 3.204 119.081 115.700 0.295 0.000 2.512 19 S HA 0.219 4.687 4.470 -0.004 0.000 0.216 19 S C 0.476 175.321 174.600 0.408 0.000 1.006 19 S CA -0.290 58.103 58.200 0.321 0.000 0.915 19 S CB 0.096 63.430 63.200 0.222 0.000 0.824 19 S HN 0.307 nan 8.310 nan 0.000 0.497 20 K N 1.364 121.966 120.400 0.336 0.000 2.270 20 K HA 0.418 4.736 4.320 -0.004 0.000 0.255 20 K C -0.835 175.778 176.600 0.021 0.000 0.936 20 K CA -0.981 55.439 56.287 0.222 0.000 0.809 20 K CB 0.949 33.522 32.500 0.120 0.000 1.131 20 K HN 0.041 nan 8.250 nan 0.000 0.427 21 L N 6.077 127.312 121.223 0.019 0.000 2.562 21 L HA 0.146 4.484 4.340 -0.004 0.000 0.271 21 L C -1.984 174.658 176.870 -0.381 0.000 1.167 21 L CA -1.185 53.468 54.840 -0.312 0.000 0.917 21 L CB 0.032 42.105 42.059 0.024 0.000 1.187 21 L HN 0.665 nan 8.230 nan 0.000 0.482 22 P HA -0.080 nan 4.420 nan 0.000 0.257 22 P C 0.048 177.206 177.300 -0.237 0.000 1.162 22 P CA 0.426 63.292 63.100 -0.389 0.000 0.762 22 P CB 0.126 31.558 31.700 -0.445 0.000 0.753 23 I N 2.845 123.255 120.570 -0.266 0.000 2.397 23 I HA 0.124 4.292 4.170 -0.004 0.000 0.291 23 I C 0.945 176.965 176.117 -0.161 0.000 1.125 23 I CA 0.399 61.518 61.300 -0.302 0.000 1.961 23 I CB -0.965 36.734 38.000 -0.501 0.000 1.508 23 I HN 0.363 nan 8.210 nan 0.000 0.886 24 N N 1.651 120.308 118.700 -0.072 0.000 2.825 24 N HA 0.395 5.133 4.740 -0.004 0.000 0.253 24 N C 0.627 176.126 175.510 -0.017 0.000 1.426 24 N CA 0.044 53.065 53.050 -0.049 0.000 0.851 24 N CB 1.826 40.281 38.487 -0.053 0.000 1.470 24 N HN 0.184 nan 8.380 nan 0.000 0.517 25 A N 1.571 124.383 122.820 -0.013 0.000 1.848 25 A HA -0.153 4.165 4.320 -0.004 0.000 0.217 25 A C 2.063 179.657 177.584 0.018 0.000 1.220 25 A CA 1.839 53.876 52.037 -0.001 0.000 0.645 25 A CB -1.115 17.883 19.000 -0.004 0.000 0.842 25 A HN 0.604 nan 8.150 nan 0.000 0.451 26 L N -0.123 121.116 121.223 0.028 0.000 2.044 26 L HA -0.141 4.197 4.340 -0.004 0.000 0.205 26 L C 3.060 179.985 176.870 0.091 0.000 1.075 26 L CA 1.687 56.572 54.840 0.074 0.000 0.747 26 L CB -0.598 41.494 42.059 0.055 0.000 0.903 26 L HN 0.651 nan 8.230 nan 0.000 0.435 27 S N -0.527 115.201 115.700 0.047 0.000 2.387 27 S HA -0.199 4.269 4.470 -0.004 0.000 0.226 27 S C 1.834 176.441 174.600 0.012 0.000 1.026 27 S CA 1.142 59.358 58.200 0.027 0.000 0.972 27 S CB -0.723 62.489 63.200 0.019 0.000 0.814 27 S HN 0.482 nan 8.310 nan 0.000 0.477 28 N N 1.508 120.218 118.700 0.018 0.000 2.289 28 N HA -0.148 4.590 4.740 -0.004 0.000 0.184 28 N C 1.859 177.380 175.510 0.018 0.000 1.016 28 N CA 1.427 54.493 53.050 0.027 0.000 0.872 28 N CB -0.411 38.091 38.487 0.025 0.000 0.973 28 N HN 0.554 nan 8.380 nan 0.000 0.433 29 S N 0.135 115.847 115.700 0.019 0.000 2.423 29 S HA -0.086 4.382 4.470 -0.004 0.000 0.231 29 S C 1.860 176.492 174.600 0.053 0.000 1.014 29 S CA 0.490 58.706 58.200 0.026 0.000 0.965 29 S CB -0.153 63.082 63.200 0.059 0.000 0.785 29 S HN 0.370 nan 8.310 nan 0.000 0.495 30 L N 0.260 121.481 121.223 -0.004 0.000 2.168 30 L HA 0.550 4.888 4.340 -0.004 0.000 0.203 30 L C 0.239 177.171 176.870 0.104 0.000 1.078 30 L CA 1.112 55.974 54.840 0.036 0.000 0.780 30 L CB 0.092 41.925 42.059 -0.378 0.000 0.939 30 L HN 0.472 nan 8.230 nan 0.000 0.451 31 L N -0.790 120.461 121.223 0.048 0.000 2.596 31 L HA 0.336 4.674 4.340 -0.004 0.000 0.265 31 L C 0.503 177.400 176.870 0.045 0.000 0.962 31 L CA -0.332 54.542 54.840 0.057 0.000 0.891 31 L CB 1.201 43.302 42.059 0.070 0.000 1.248 31 L HN -0.012 nan 8.230 nan 0.000 0.410 32 R N 1.137 121.619 120.500 -0.031 0.000 2.112 32 R HA 0.131 4.469 4.340 -0.004 0.000 0.216 32 R C 0.002 176.237 176.300 -0.109 0.000 1.080 32 R CA 0.534 56.565 56.100 -0.116 0.000 0.996 32 R CB 0.117 30.215 30.300 -0.337 0.000 0.902 32 R HN 0.600 nan 8.270 nan 0.000 0.449 33 H N 1.367 120.433 119.070 -0.006 0.000 2.882 33 H HA 0.068 4.624 4.556 -0.001 0.000 0.258 33 H C 0.850 176.117 175.328 -0.100 0.000 1.579 33 H CA -0.406 55.569 56.048 -0.123 0.000 1.340 33 H CB 0.251 29.967 29.762 -0.077 0.000 1.645 33 H HN 0.364 nan 8.280 nan 0.000 0.541 34 H N 0.858 120.031 119.070 0.171 0.000 2.502 34 H HA -0.040 4.514 4.556 -0.003 0.000 0.283 34 H C 0.623 176.032 175.328 0.134 0.000 1.015 34 H CA 0.559 56.679 56.048 0.122 0.000 1.298 34 H CB 0.125 29.931 29.762 0.073 0.000 1.411 34 H HN 0.552 nan 8.280 nan 0.000 0.556 35 N N 0.470 119.190 118.700 0.033 0.000 2.512 35 N HA 0.011 4.748 4.740 -0.004 0.000 0.183 35 N C 1.481 177.072 175.510 0.135 0.000 1.073 35 N CA 0.305 53.425 53.050 0.117 0.000 0.911 35 N CB 0.055 38.557 38.487 0.025 0.000 0.964 35 N HN 0.289 nan 8.380 nan 0.000 0.447 36 M N 0.404 120.082 119.600 0.129 0.000 2.492 36 M HA 0.030 4.508 4.480 -0.004 0.000 0.262 36 M C -0.188 176.273 176.300 0.268 0.000 1.090 36 M CA 0.540 55.938 55.300 0.164 0.000 1.110 36 M CB 0.561 33.235 32.600 0.123 0.000 1.407 36 M HN -0.134 nan 8.290 nan 0.000 0.470 37 V N 1.087 121.167 119.914 0.276 0.000 2.394 37 V HA 0.311 4.429 4.120 -0.004 0.000 0.282 37 V C -0.674 175.662 176.094 0.403 0.000 1.031 37 V CA -0.784 61.692 62.300 0.293 0.000 0.881 37 V CB 0.307 32.284 31.823 0.257 0.000 0.982 37 V HN 0.292 nan 8.190 nan 0.000 0.451 38 Y N 2.775 123.226 120.300 0.252 0.000 2.638 38 Y HA 0.966 5.515 4.550 -0.002 0.000 0.339 38 Y C -0.343 175.654 175.900 0.161 0.000 1.084 38 Y CA -1.346 56.911 58.100 0.262 0.000 1.068 38 Y CB 1.783 40.357 38.460 0.191 0.000 1.294 38 Y HN 0.680 nan 8.280 nan 0.000 0.480 39 A N 0.951 123.868 122.820 0.162 0.000 2.401 39 A HA 0.697 5.015 4.320 -0.004 0.000 0.310 39 A C -0.396 177.294 177.584 0.178 0.000 1.075 39 A CA -0.438 51.521 52.037 -0.130 0.000 0.746 39 A CB 0.891 19.637 19.000 -0.424 0.000 1.277 39 A HN 1.054 nan 8.150 nan 0.000 0.425 40 T N -0.343 114.289 114.554 0.131 0.000 2.904 40 T HA 0.641 4.989 4.350 -0.004 0.000 0.290 40 T C 0.316 175.083 174.700 0.111 0.000 1.018 40 T CA 0.346 62.570 62.100 0.206 0.000 1.075 40 T CB 0.985 69.995 68.868 0.238 0.000 0.986 40 T HN 1.580 nan 8.240 nan 0.000 0.523 41 T N -2.078 112.542 114.554 0.110 0.000 2.812 41 T HA 0.465 4.813 4.350 -0.004 0.000 0.294 41 T C 1.426 176.161 174.700 0.058 0.000 1.159 41 T CA -0.211 61.935 62.100 0.078 0.000 1.008 41 T CB 1.195 70.114 68.868 0.084 0.000 1.289 41 T HN 0.750 nan 8.240 nan 0.000 0.514 42 S N 0.414 116.141 115.700 0.045 0.000 2.440 42 S HA -0.191 4.277 4.470 -0.004 0.000 0.240 42 S C 1.790 176.396 174.600 0.010 0.000 1.014 42 S CA 0.840 59.055 58.200 0.025 0.000 0.980 42 S CB -0.749 62.466 63.200 0.025 0.000 0.775 42 S HN 0.752 nan 8.310 nan 0.000 0.499 43 R N 1.569 122.081 120.500 0.021 0.000 2.152 43 R HA -0.015 4.322 4.340 -0.004 0.000 0.232 43 R C 2.302 178.600 176.300 -0.004 0.000 1.117 43 R CA 1.459 57.565 56.100 0.009 0.000 0.981 43 R CB -0.480 29.834 30.300 0.022 0.000 0.870 43 R HN 0.734 nan 8.270 nan 0.000 0.451 44 S N -0.493 115.209 115.700 0.005 0.000 2.556 44 S HA 0.228 4.696 4.470 -0.004 0.000 0.216 44 S C 1.860 176.441 174.600 -0.031 0.000 0.970 44 S CA 0.173 58.369 58.200 -0.007 0.000 0.912 44 S CB 0.754 63.964 63.200 0.018 0.000 0.790 44 S HN 0.274 nan 8.310 nan 0.000 0.504 45 A N 2.323 125.118 122.820 -0.042 0.000 1.908 45 A HA 0.142 4.460 4.320 -0.004 0.000 0.218 45 A C 2.334 179.826 177.584 -0.153 0.000 1.181 45 A CA 1.575 53.563 52.037 -0.081 0.000 0.627 45 A CB -1.772 17.180 19.000 -0.080 0.000 0.818 45 A HN 0.657 nan 8.150 nan 0.000 0.445 46 G N -0.403 108.304 108.800 -0.154 0.000 2.517 46 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.222 46 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.222 46 G C 1.458 176.246 174.900 -0.187 0.000 1.109 46 G CA 1.424 46.402 45.100 -0.203 0.000 0.746 46 G HN 0.625 nan 8.290 nan 0.000 0.576 47 L N -0.442 120.709 121.223 -0.120 0.000 2.298 47 L HA 0.417 4.755 4.340 -0.004 0.000 0.209 47 L C 2.579 179.408 176.870 -0.069 0.000 1.084 47 L CA 1.092 55.883 54.840 -0.082 0.000 0.816 47 L CB -0.231 41.797 42.059 -0.051 0.000 0.967 47 L HN 0.096 nan 8.230 nan 0.000 0.460 48 R N -0.036 120.420 120.500 -0.073 0.000 2.091 48 R HA -0.162 4.176 4.340 -0.004 0.000 0.238 48 R C 2.223 178.475 176.300 -0.081 0.000 1.136 48 R CA 1.939 58.010 56.100 -0.048 0.000 0.959 48 R CB -0.459 29.819 30.300 -0.036 0.000 0.856 48 R HN 0.551 nan 8.270 nan 0.000 0.437 49 Q N -0.076 119.595 119.800 -0.215 0.000 2.096 49 Q HA -0.190 4.148 4.340 -0.004 0.000 0.204 49 Q C 1.975 177.902 176.000 -0.122 0.000 0.982 49 Q CA 2.072 57.664 55.803 -0.352 0.000 0.850 49 Q CB -0.099 28.099 28.738 -0.901 0.000 0.901 49 Q HN 0.332 nan 8.270 nan 0.000 0.422 50 K N 0.538 120.879 120.400 -0.098 0.000 2.032 50 K HA -0.200 4.118 4.320 -0.004 0.000 0.209 50 K C 2.092 178.760 176.600 0.114 0.000 1.048 50 K CA 1.303 57.600 56.287 0.017 0.000 0.927 50 K CB -0.104 32.393 32.500 -0.006 0.000 0.712 50 K HN -0.082 nan 8.250 nan 0.000 0.441 51 K N 1.110 121.568 120.400 0.097 0.000 2.057 51 K HA -0.117 4.200 4.320 -0.004 0.000 0.207 51 K C 1.742 178.523 176.600 0.302 0.000 1.049 51 K CA 1.292 57.676 56.287 0.162 0.000 0.931 51 K CB -0.024 32.539 32.500 0.105 0.000 0.714 51 K HN 0.155 nan 8.250 nan 0.000 0.440 52 V N -2.237 117.824 119.914 0.244 0.000 3.623 52 V HA 0.185 4.303 4.120 -0.004 0.000 0.271 52 V C 0.071 176.262 176.094 0.163 0.000 1.248 52 V CA 0.258 62.721 62.300 0.273 0.000 1.156 52 V CB -0.108 31.831 31.823 0.192 0.000 0.870 52 V HN 0.027 nan 8.190 nan 0.000 0.453 53 T N 4.340 119.047 114.554 0.255 0.000 2.801 53 T HA 0.726 5.073 4.350 -0.004 0.000 0.306 53 T C -0.807 174.032 174.700 0.232 0.000 1.020 53 T CA -0.047 62.191 62.100 0.230 0.000 0.948 53 T CB 0.259 69.394 68.868 0.446 0.000 0.962 53 T HN 0.608 nan 8.240 nan 0.000 0.465 54 F N -0.131 119.923 119.950 0.175 0.000 2.693 54 F HA 0.626 5.150 4.527 -0.004 0.000 0.309 54 F C -0.879 174.962 175.800 0.067 0.000 1.129 54 F CA -1.671 56.392 58.000 0.105 0.000 0.948 54 F CB 0.611 39.662 39.000 0.086 0.000 1.315 54 F HN 0.155 nan 8.300 nan 0.000 0.447 55 D N 0.984 121.556 120.400 0.286 0.000 2.382 55 D HA 0.361 4.999 4.640 -0.004 0.000 0.245 55 D C -0.735 175.719 176.300 0.257 0.000 1.120 55 D CA 0.075 54.181 54.000 0.176 0.000 0.890 55 D CB 0.845 41.714 40.800 0.114 0.000 1.201 55 D HN 0.549 nan 8.370 nan 0.000 0.433 56 R N 2.176 122.766 120.500 0.151 0.000 2.387 56 R HA 0.533 4.871 4.340 -0.004 0.000 0.314 56 R C -0.716 175.623 176.300 0.065 0.000 0.958 56 R CA -0.503 55.682 56.100 0.142 0.000 0.846 56 R CB 1.108 31.467 30.300 0.099 0.000 1.147 56 R HN 0.352 nan 8.270 nan 0.000 0.447 57 L N 2.158 123.411 121.223 0.050 0.000 2.325 57 L HA 0.546 4.884 4.340 -0.004 0.000 0.278 57 L C -0.304 176.568 176.870 0.004 0.000 1.023 57 L CA -0.611 54.239 54.840 0.017 0.000 0.811 57 L CB 1.822 43.886 42.059 0.008 0.000 1.249 57 L HN 0.508 nan 8.230 nan 0.000 0.431 58 Q N 2.350 122.143 119.800 -0.011 0.000 2.263 58 Q HA 0.528 4.866 4.340 -0.004 0.000 0.262 58 Q C -2.030 173.948 176.000 -0.036 0.000 0.984 58 Q CA -0.487 55.302 55.803 -0.022 0.000 0.813 58 Q CB 2.459 31.174 28.738 -0.038 0.000 1.299 58 Q HN 0.433 nan 8.270 nan 0.000 0.428 59 V N 5.646 125.546 119.914 -0.023 0.000 2.409 59 V HA 0.409 4.527 4.120 -0.004 0.000 0.290 59 V C -0.223 175.878 176.094 0.011 0.000 1.017 59 V CA -0.610 61.676 62.300 -0.024 0.000 0.841 59 V CB 1.247 33.057 31.823 -0.021 0.000 1.003 59 V HN 0.771 nan 8.190 nan 0.000 0.426 60 L N 4.587 125.766 121.223 -0.074 0.000 2.399 60 L HA 0.671 5.009 4.340 -0.004 0.000 0.266 60 L C 0.055 176.930 176.870 0.009 0.000 1.114 60 L CA -0.301 54.452 54.840 -0.144 0.000 0.804 60 L CB 1.379 43.181 42.059 -0.428 0.000 1.146 60 L HN 0.798 nan 8.230 nan 0.000 0.451 61 D N -1.700 118.760 120.400 0.100 0.000 2.758 61 D HA 0.195 4.833 4.640 -0.004 0.000 0.279 61 D C -0.102 176.245 176.300 0.079 0.000 1.111 61 D CA -0.577 53.475 54.000 0.086 0.000 1.109 61 D CB 0.598 41.465 40.800 0.111 0.000 1.428 61 D HN 0.245 nan 8.370 nan 0.000 0.586 62 D N -1.700 118.694 120.400 -0.009 0.000 2.277 62 D HA -0.070 4.568 4.640 -0.004 0.000 0.208 62 D C 1.476 177.790 176.300 0.024 0.000 0.962 62 D CA 0.798 54.787 54.000 -0.018 0.000 0.865 62 D CB -0.093 40.660 40.800 -0.077 0.000 0.939 62 D HN 0.354 nan 8.370 nan 0.000 0.510 63 H N -0.545 118.578 119.070 0.089 0.000 2.321 63 H HA -0.144 4.409 4.556 -0.004 0.000 0.300 63 H C 1.869 177.214 175.328 0.028 0.000 1.087 63 H CA 0.958 57.049 56.048 0.071 0.000 1.319 63 H CB -0.683 29.151 29.762 0.120 0.000 1.379 63 H HN 0.311 nan 8.280 nan 0.000 0.501 64 Y N 1.839 122.136 120.300 -0.005 0.000 2.145 64 Y HA -0.215 4.332 4.550 -0.004 0.000 0.286 64 Y C 2.638 178.472 175.900 -0.109 0.000 1.145 64 Y CA 1.582 59.558 58.100 -0.207 0.000 1.148 64 Y CB 0.005 38.200 38.460 -0.441 0.000 0.981 64 Y HN -0.022 nan 8.280 nan 0.000 0.507 65 R N 0.011 120.591 120.500 0.135 0.000 2.092 65 R HA -0.146 4.192 4.340 -0.004 0.000 0.231 65 R C 1.718 178.005 176.300 -0.022 0.000 1.119 65 R CA 1.476 57.612 56.100 0.060 0.000 0.970 65 R CB -0.315 30.034 30.300 0.083 0.000 0.864 65 R HN 0.400 nan 8.270 nan 0.000 0.440 66 D N 0.178 120.580 120.400 0.003 0.000 2.097 66 D HA -0.110 4.528 4.640 -0.004 0.000 0.197 66 D C 2.011 178.290 176.300 -0.034 0.000 0.984 66 D CA 0.995 54.997 54.000 0.004 0.000 0.826 66 D CB -0.279 40.551 40.800 0.051 0.000 0.973 66 D HN -0.041 nan 8.370 nan 0.000 0.460 67 V N 1.160 121.031 119.914 -0.071 0.000 2.332 67 V HA -0.224 3.894 4.120 -0.004 0.000 0.248 67 V C 2.482 178.495 176.094 -0.135 0.000 1.055 67 V CA 1.156 63.391 62.300 -0.108 0.000 1.038 67 V CB -0.460 31.258 31.823 -0.175 0.000 0.651 67 V HN 0.142 nan 8.190 nan 0.000 0.450 68 L N 0.473 121.555 121.223 -0.236 0.000 2.046 68 L HA -0.180 4.158 4.340 -0.004 0.000 0.208 68 L C 2.427 179.234 176.870 -0.105 0.000 1.077 68 L CA 2.319 57.026 54.840 -0.221 0.000 0.747 68 L CB -0.806 41.066 42.059 -0.310 0.000 0.896 68 L HN 0.305 nan 8.230 nan 0.000 0.432 69 K N -0.435 119.921 120.400 -0.073 0.000 2.063 69 K HA -0.226 4.091 4.320 -0.004 0.000 0.208 69 K C 1.944 178.528 176.600 -0.025 0.000 1.048 69 K CA 1.969 58.234 56.287 -0.037 0.000 0.928 69 K CB -0.143 32.344 32.500 -0.021 0.000 0.713 69 K HN 0.498 nan 8.250 nan 0.000 0.442 70 E N 0.106 120.293 120.200 -0.020 0.000 2.077 70 E HA -0.181 4.167 4.350 -0.004 0.000 0.193 70 E C 2.086 178.687 176.600 0.001 0.000 0.989 70 E CA 1.606 58.005 56.400 -0.001 0.000 0.800 70 E CB -0.059 29.649 29.700 0.014 0.000 0.746 70 E HN 0.362 nan 8.360 nan 0.000 0.452 71 M N 0.451 120.049 119.600 -0.003 0.000 2.132 71 M HA -0.162 4.316 4.480 -0.004 0.000 0.263 71 M C 2.093 178.375 176.300 -0.030 0.000 1.065 71 M CA 1.423 56.719 55.300 -0.007 0.000 1.122 71 M CB -0.078 32.519 32.600 -0.005 0.000 1.365 71 M HN -0.060 nan 8.290 nan 0.000 0.411 72 K N 0.215 120.594 120.400 -0.035 0.000 2.097 72 K HA -0.050 4.268 4.320 -0.004 0.000 0.205 72 K C 2.099 178.687 176.600 -0.020 0.000 1.050 72 K CA 1.257 57.525 56.287 -0.031 0.000 0.938 72 K CB -0.220 32.262 32.500 -0.031 0.000 0.718 72 K HN 0.281 nan 8.250 nan 0.000 0.442 73 A N 2.013 124.823 122.820 -0.016 0.000 1.908 73 A HA -0.217 4.100 4.320 -0.004 0.000 0.218 73 A C 1.879 179.456 177.584 -0.013 0.000 1.181 73 A CA 1.599 53.629 52.037 -0.011 0.000 0.627 73 A CB -0.270 18.727 19.000 -0.006 0.000 0.818 73 A HN 0.194 nan 8.150 nan 0.000 0.445 74 K N -0.487 119.902 120.400 -0.018 0.000 2.103 74 K HA 0.037 4.355 4.320 -0.004 0.000 0.204 74 K C 2.300 178.881 176.600 -0.033 0.000 1.052 74 K CA 0.929 57.200 56.287 -0.027 0.000 0.945 74 K CB -0.302 32.176 32.500 -0.037 0.000 0.722 74 K HN 0.424 nan 8.250 nan 0.000 0.443 75 A N 1.255 124.055 122.820 -0.032 0.000 1.978 75 A HA -0.149 4.169 4.320 -0.004 0.000 0.220 75 A C 2.092 179.669 177.584 -0.012 0.000 1.170 75 A CA 1.745 53.767 52.037 -0.025 0.000 0.636 75 A CB -0.474 18.515 19.000 -0.020 0.000 0.810 75 A HN 0.168 nan 8.150 nan 0.000 0.448 76 S N -0.382 115.312 115.700 -0.010 0.000 2.507 76 S HA -0.089 4.378 4.470 -0.004 0.000 0.235 76 S C 1.850 176.447 174.600 -0.006 0.000 0.988 76 S CA 1.513 59.711 58.200 -0.004 0.000 0.944 76 S CB -0.462 62.735 63.200 -0.004 0.000 0.762 76 S HN 0.904 nan 8.310 nan 0.000 0.526 77 T N -1.013 113.534 114.554 -0.012 0.000 3.107 77 T HA 0.226 4.573 4.350 -0.004 0.000 0.249 77 T C 0.415 175.106 174.700 -0.016 0.000 1.096 77 T CA -0.144 61.948 62.100 -0.013 0.000 1.012 77 T CB -0.197 68.661 68.868 -0.016 0.000 0.977 77 T HN 0.013 nan 8.240 nan 0.000 0.527 78 V N 1.569 121.473 119.914 -0.017 0.000 2.465 78 V HA 0.471 4.589 4.120 -0.004 0.000 0.279 78 V C -0.038 176.050 176.094 -0.011 0.000 1.045 78 V CA -0.788 61.499 62.300 -0.021 0.000 0.938 78 V CB 1.297 33.103 31.823 -0.028 0.000 0.986 78 V HN 0.289 nan 8.190 nan 0.000 0.467 79 K N 2.865 123.257 120.400 -0.013 0.000 2.221 79 K HA 0.844 5.162 4.320 -0.004 0.000 0.258 79 K C -0.593 176.001 176.600 -0.010 0.000 0.944 79 K CA -0.183 56.101 56.287 -0.006 0.000 0.823 79 K CB 2.012 34.509 32.500 -0.005 0.000 1.113 79 K HN 0.886 nan 8.250 nan 0.000 0.431 80 A N 2.407 125.226 122.820 -0.003 0.000 2.539 80 A HA 0.577 4.895 4.320 -0.004 0.000 0.296 80 A C -1.504 176.083 177.584 0.006 0.000 1.073 80 A CA -0.937 51.097 52.037 -0.005 0.000 0.700 80 A CB 1.160 20.151 19.000 -0.015 0.000 1.296 80 A HN 0.748 nan 8.150 nan 0.000 0.405 81 K N 1.420 121.824 120.400 0.007 0.000 2.166 81 K HA 0.786 5.104 4.320 -0.004 0.000 0.245 81 K C -1.185 175.421 176.600 0.009 0.000 0.967 81 K CA -0.677 55.615 56.287 0.008 0.000 0.863 81 K CB 1.303 33.803 32.500 -0.001 0.000 1.107 81 K HN 0.528 nan 8.250 nan 0.000 0.436 82 L N 2.432 123.657 121.223 0.003 0.000 2.416 82 L HA 0.136 4.474 4.340 -0.004 0.000 0.272 82 L C -0.270 176.553 176.870 -0.079 0.000 1.161 82 L CA -0.825 53.999 54.840 -0.027 0.000 0.845 82 L CB 0.426 42.466 42.059 -0.031 0.000 1.119 82 L HN 0.517 nan 8.230 nan 0.000 0.464 83 L N 2.532 123.683 121.223 -0.119 0.000 2.350 83 L HA 0.231 4.569 4.340 -0.004 0.000 0.275 83 L C 0.598 177.316 176.870 -0.254 0.000 1.099 83 L CA 0.397 55.141 54.840 -0.160 0.000 0.808 83 L CB 1.492 43.453 42.059 -0.162 0.000 1.149 83 L HN 0.727 nan 8.230 nan 0.000 0.442 84 S N 1.506 117.075 115.700 -0.218 0.000 2.589 84 S HA 0.164 4.632 4.470 -0.004 0.000 0.265 84 S C 1.355 175.777 174.600 -0.296 0.000 1.342 84 S CA -0.661 57.390 58.200 -0.249 0.000 1.005 84 S CB 0.688 63.792 63.200 -0.160 0.000 0.909 84 S HN 0.335 nan 8.310 nan 0.000 0.555 85 V N 1.632 121.342 119.914 -0.339 0.000 2.324 85 V HA -0.192 3.926 4.120 -0.004 0.000 0.250 85 V C 2.628 178.597 176.094 -0.209 0.000 1.060 85 V CA 2.466 64.555 62.300 -0.352 0.000 1.042 85 V CB -1.374 30.142 31.823 -0.512 0.000 0.650 85 V HN 0.873 nan 8.190 nan 0.000 0.450 86 E N -0.017 120.097 120.200 -0.143 0.000 2.072 86 E HA -0.182 4.166 4.350 -0.004 0.000 0.191 86 E C 2.218 178.741 176.600 -0.128 0.000 0.985 86 E CA 1.272 57.610 56.400 -0.103 0.000 0.801 86 E CB -0.234 29.424 29.700 -0.070 0.000 0.750 86 E HN 0.678 nan 8.360 nan 0.000 0.452 87 E N 0.300 120.409 120.200 -0.152 0.000 2.051 87 E HA -0.184 4.163 4.350 -0.004 0.000 0.192 87 E C 2.061 178.529 176.600 -0.221 0.000 0.991 87 E CA 1.058 57.352 56.400 -0.177 0.000 0.799 87 E CB -0.182 29.410 29.700 -0.180 0.000 0.748 87 E HN 0.281 nan 8.360 nan 0.000 0.449 88 A N 0.632 123.318 122.820 -0.222 0.000 1.933 88 A HA -0.191 4.127 4.320 -0.004 0.000 0.218 88 A C 2.392 179.876 177.584 -0.168 0.000 1.175 88 A CA 1.148 53.055 52.037 -0.218 0.000 0.628 88 A CB -0.815 18.067 19.000 -0.196 0.000 0.814 88 A HN 0.365 nan 8.150 nan 0.000 0.444 89 C N -0.383 118.831 119.300 -0.143 0.000 2.432 89 C HA -0.054 4.404 4.460 -0.004 0.000 0.277 89 C C 2.651 177.579 174.990 -0.103 0.000 1.249 89 C CA 1.180 60.136 59.018 -0.103 0.000 1.725 89 C CB -0.707 26.980 27.740 -0.090 0.000 2.028 89 C HN 0.493 nan 8.230 nan 0.000 0.477 90 K N 0.819 121.147 120.400 -0.121 0.000 2.211 90 K HA 0.051 4.369 4.320 -0.004 0.000 0.203 90 K C 1.463 177.982 176.600 -0.135 0.000 1.050 90 K CA 0.984 57.202 56.287 -0.115 0.000 0.945 90 K CB -0.401 32.032 32.500 -0.112 0.000 0.732 90 K HN 0.543 nan 8.250 nan 0.000 0.451 91 L N 1.059 122.171 121.223 -0.184 0.000 2.592 91 L HA 0.043 4.381 4.340 -0.004 0.000 0.227 91 L C 0.318 177.107 176.870 -0.135 0.000 1.127 91 L CA -0.013 54.700 54.840 -0.211 0.000 0.884 91 L CB -0.126 41.682 42.059 -0.417 0.000 1.065 91 L HN -0.127 nan 8.230 nan 0.000 0.457 92 T N 1.901 116.394 114.554 -0.101 0.000 2.814 92 T HA 0.196 4.544 4.350 -0.004 0.000 0.297 92 T C -2.173 172.496 174.700 -0.052 0.000 0.956 92 T CA -0.966 61.099 62.100 -0.059 0.000 1.123 92 T CB 0.767 69.611 68.868 -0.039 0.000 0.902 92 T HN -0.088 nan 8.240 nan 0.000 0.528 93 P HA 0.085 nan 4.420 nan 0.000 0.266 93 P C -1.605 175.682 177.300 -0.022 0.000 1.195 93 P CA -1.281 61.797 63.100 -0.036 0.000 0.768 93 P CB 0.202 31.884 31.700 -0.029 0.000 0.838 94 P HA -0.156 nan 4.420 nan 0.000 0.219 94 P C 0.629 177.883 177.300 -0.077 0.000 1.150 94 P CA 1.741 64.820 63.100 -0.035 0.000 0.814 94 P CB 0.102 31.797 31.700 -0.009 0.000 0.787 95 H N -0.223 118.820 119.070 -0.045 0.000 2.487 95 H HA 0.209 4.763 4.556 -0.003 0.000 0.290 95 H C 0.640 175.933 175.328 -0.058 0.000 1.081 95 H CA -0.122 55.901 56.048 -0.041 0.000 1.116 95 H CB 0.350 30.087 29.762 -0.041 0.000 1.560 95 H HN 0.190 nan 8.280 nan 0.000 0.548 96 S N 0.539 116.247 115.700 0.013 0.000 2.592 96 S HA 0.444 4.912 4.470 -0.004 0.000 0.271 96 S C 0.666 175.237 174.600 -0.049 0.000 1.326 96 S CA -0.716 57.462 58.200 -0.037 0.000 1.024 96 S CB 1.862 65.038 63.200 -0.041 0.000 0.921 96 S HN 0.328 nan 8.310 nan 0.000 0.527 97 A N 2.845 125.606 122.820 -0.098 0.000 2.511 97 A HA 0.327 4.645 4.320 -0.004 0.000 0.242 97 A C 0.823 178.391 177.584 -0.027 0.000 1.069 97 A CA -0.606 51.390 52.037 -0.068 0.000 0.763 97 A CB -0.243 18.682 19.000 -0.126 0.000 1.001 97 A HN 0.957 nan 8.150 nan 0.000 0.498 98 K N 1.896 122.279 120.400 -0.027 0.000 2.336 98 K HA 0.249 4.567 4.320 -0.004 0.000 0.262 98 K C 0.249 176.779 176.600 -0.117 0.000 0.992 98 K CA 0.061 56.305 56.287 -0.070 0.000 0.927 98 K CB 0.357 32.821 32.500 -0.061 0.000 0.956 98 K HN 0.422 nan 8.250 nan 0.000 0.495 99 S N 0.230 115.752 115.700 -0.296 0.000 2.565 99 S HA 0.023 4.491 4.470 -0.004 0.000 0.276 99 S C 0.988 175.420 174.600 -0.280 0.000 1.326 99 S CA -0.641 57.342 58.200 -0.363 0.000 1.045 99 S CB 0.698 63.346 63.200 -0.919 0.000 0.918 99 S HN 0.789 nan 8.310 nan 0.000 0.505 100 K N 3.296 123.526 120.400 -0.283 0.000 2.442 100 K HA -0.060 4.258 4.320 -0.004 0.000 0.198 100 K C 0.201 176.503 176.600 -0.498 0.000 1.044 100 K CA 1.425 57.468 56.287 -0.405 0.000 0.948 100 K CB -0.325 31.849 32.500 -0.543 0.000 0.762 100 K HN 0.645 nan 8.250 nan 0.000 0.472 101 F N 1.193 121.097 119.950 -0.078 0.000 2.660 101 F HA 0.303 4.828 4.527 -0.003 0.000 0.297 101 F C 1.091 176.945 175.800 0.090 0.000 1.132 101 F CA 0.171 58.209 58.000 0.064 0.000 1.372 101 F CB 0.747 39.925 39.000 0.296 0.000 1.003 101 F HN 0.278 nan 8.300 nan 0.000 0.524 102 G N 0.503 109.345 108.800 0.070 0.000 2.142 102 G HA2 -0.285 3.673 3.960 -0.004 0.000 0.225 102 G HA3 -0.285 3.673 3.960 -0.004 0.000 0.225 102 G C -0.407 174.619 174.900 0.210 0.000 1.015 102 G CA 0.093 45.267 45.100 0.123 0.000 0.716 102 G HN 0.550 nan 8.290 nan 0.000 0.508 103 Y N -2.479 117.873 120.300 0.087 0.000 2.609 103 Y HA 0.792 5.340 4.550 -0.003 0.000 0.336 103 Y C 0.373 176.293 175.900 0.033 0.000 1.129 103 Y CA -1.180 56.952 58.100 0.054 0.000 1.040 103 Y CB 0.662 39.157 38.460 0.058 0.000 1.310 103 Y HN 0.627 nan 8.280 nan 0.000 0.460 104 G N -0.097 108.808 108.800 0.175 0.000 2.932 104 G HA2 0.535 4.493 3.960 -0.004 0.000 0.283 104 G HA3 0.535 4.493 3.960 -0.004 0.000 0.283 104 G C 0.260 175.234 174.900 0.123 0.000 1.336 104 G CA -0.796 44.348 45.100 0.073 0.000 1.056 104 G HN 1.181 nan 8.290 nan 0.000 0.522 105 A N -0.457 122.387 122.820 0.041 0.000 1.940 105 A HA -0.048 4.270 4.320 -0.004 0.000 0.219 105 A C 2.111 179.700 177.584 0.007 0.000 1.176 105 A CA 2.220 54.271 52.037 0.024 0.000 0.631 105 A CB -0.425 18.563 19.000 -0.021 0.000 0.814 105 A HN 0.613 nan 8.150 nan 0.000 0.446 106 K N -0.380 120.014 120.400 -0.010 0.000 2.097 106 K HA -0.175 4.143 4.320 -0.004 0.000 0.205 106 K C 1.232 177.834 176.600 0.003 0.000 1.050 106 K CA 1.560 57.834 56.287 -0.021 0.000 0.938 106 K CB -0.177 32.302 32.500 -0.034 0.000 0.718 106 K HN 0.423 nan 8.250 nan 0.000 0.442 107 D N 0.428 120.851 120.400 0.040 0.000 2.097 107 D HA -0.154 4.484 4.640 -0.004 0.000 0.195 107 D C 2.026 178.329 176.300 0.004 0.000 0.989 107 D CA 1.144 55.167 54.000 0.039 0.000 0.827 107 D CB -0.298 40.564 40.800 0.104 0.000 0.966 107 D HN 0.054 nan 8.370 nan 0.000 0.456 108 V N 1.206 121.141 119.914 0.036 0.000 2.255 108 V HA -0.250 3.868 4.120 -0.004 0.000 0.247 108 V C 2.627 178.702 176.094 -0.032 0.000 1.051 108 V CA 1.824 64.120 62.300 -0.007 0.000 1.018 108 V CB -0.496 31.354 31.823 0.046 0.000 0.641 108 V HN 0.136 nan 8.190 nan 0.000 0.445 109 R N 0.318 120.802 120.500 -0.026 0.000 2.120 109 R HA -0.122 4.216 4.340 -0.004 0.000 0.234 109 R C 1.627 177.902 176.300 -0.042 0.000 1.123 109 R CA 1.875 57.950 56.100 -0.042 0.000 0.975 109 R CB -0.299 29.975 30.300 -0.043 0.000 0.866 109 R HN 0.664 nan 8.270 nan 0.000 0.446 110 N N 0.766 119.446 118.700 -0.034 0.000 2.314 110 N HA 0.101 4.839 4.740 -0.004 0.000 0.200 110 N C -0.452 175.036 175.510 -0.037 0.000 1.135 110 N CA -0.028 53.002 53.050 -0.033 0.000 0.835 110 N CB 0.317 38.789 38.487 -0.025 0.000 0.989 110 N HN 0.109 nan 8.380 nan 0.000 0.478 111 L N 1.190 122.387 121.223 -0.045 0.000 3.660 111 L HA -0.224 4.114 4.340 -0.004 0.000 0.440 111 L C 0.360 177.199 176.870 -0.053 0.000 1.262 111 L CA -0.195 54.616 54.840 -0.048 0.000 0.837 111 L CB -2.232 39.802 42.059 -0.042 0.000 1.689 111 L HN 0.230 nan 8.230 nan 0.000 0.890 112 S N -0.283 115.380 115.700 -0.062 0.000 2.549 112 S HA 0.231 4.699 4.470 -0.004 0.000 0.286 112 S C 1.561 176.108 174.600 -0.087 0.000 1.314 112 S CA 0.036 58.197 58.200 -0.064 0.000 1.062 112 S CB 1.646 64.813 63.200 -0.055 0.000 0.865 112 S HN 0.538 nan 8.310 nan 0.000 0.498 113 S N 3.999 119.656 115.700 -0.071 0.000 2.400 113 S HA -0.201 4.267 4.470 -0.004 0.000 0.232 113 S C 1.716 176.260 174.600 -0.093 0.000 1.025 113 S CA 1.288 59.438 58.200 -0.083 0.000 0.993 113 S CB -0.539 62.622 63.200 -0.065 0.000 0.808 113 S HN 0.888 nan 8.310 nan 0.000 0.478 114 K N 1.751 122.100 120.400 -0.085 0.000 2.025 114 K HA 0.065 4.383 4.320 -0.004 0.000 0.207 114 K C 2.353 178.802 176.600 -0.252 0.000 1.049 114 K CA 1.072 57.312 56.287 -0.078 0.000 0.933 114 K CB -0.645 31.859 32.500 0.006 0.000 0.714 114 K HN 0.402 nan 8.250 nan 0.000 0.438 115 A N 0.691 123.216 122.820 -0.493 0.000 1.873 115 A HA -0.094 4.224 4.320 -0.004 0.000 0.215 115 A C 2.263 179.621 177.584 -0.376 0.000 1.186 115 A CA 1.602 53.044 52.037 -0.992 0.000 0.616 115 A CB -0.733 17.816 19.000 -0.752 0.000 0.823 115 A HN 0.173 nan 8.150 nan 0.000 0.442 116 V N 0.939 120.770 119.914 -0.138 0.000 2.261 116 V HA -0.276 3.841 4.120 -0.004 0.000 0.246 116 V C 2.365 178.629 176.094 0.283 0.000 1.047 116 V CA 2.300 64.683 62.300 0.138 0.000 1.015 116 V CB -1.039 30.815 31.823 0.052 0.000 0.642 116 V HN 0.552 nan 8.190 nan 0.000 0.446 117 N N -0.509 118.171 118.700 -0.032 0.000 2.104 117 N HA -0.200 4.538 4.740 -0.004 0.000 0.190 117 N C 1.866 177.456 175.510 0.133 0.000 1.024 117 N CA 1.647 54.677 53.050 -0.035 0.000 0.853 117 N CB -0.620 37.827 38.487 -0.067 0.000 1.008 117 N HN 0.645 nan 8.380 nan 0.000 0.424 118 H N 0.937 120.003 119.070 -0.007 0.000 2.321 118 H HA 0.052 4.605 4.556 -0.004 0.000 0.300 118 H C 2.054 177.411 175.328 0.049 0.000 1.087 118 H CA 1.285 57.339 56.048 0.010 0.000 1.319 118 H CB -0.485 29.320 29.762 0.072 0.000 1.379 118 H HN 0.184 nan 8.280 nan 0.000 0.501 119 I N 0.299 121.153 120.570 0.474 0.000 2.315 119 I HA -0.268 3.900 4.170 -0.004 0.000 0.248 119 I C 2.408 178.611 176.117 0.145 0.000 1.117 119 I CA 1.281 62.734 61.300 0.255 0.000 1.404 119 I CB -0.363 37.617 38.000 -0.032 0.000 1.071 119 I HN 0.287 nan 8.210 nan 0.000 0.419 120 H N 0.210 119.346 119.070 0.109 0.000 2.353 120 H HA -0.187 4.367 4.556 -0.004 0.000 0.298 120 H C 2.567 177.967 175.328 0.119 0.000 1.103 120 H CA 1.951 58.056 56.048 0.095 0.000 1.293 120 H CB -0.545 29.233 29.762 0.027 0.000 1.372 120 H HN 0.390 nan 8.280 nan 0.000 0.501 121 S N 0.028 115.823 115.700 0.157 0.000 2.383 121 S HA -0.120 4.348 4.470 -0.004 0.000 0.227 121 S C 2.301 176.906 174.600 0.008 0.000 1.026 121 S CA 1.132 59.341 58.200 0.015 0.000 0.981 121 S CB -0.764 62.349 63.200 -0.146 0.000 0.818 121 S HN 0.186 nan 8.310 nan 0.000 0.472 122 V N 0.866 120.828 119.914 0.080 0.000 2.427 122 V HA -0.116 4.001 4.120 -0.004 0.000 0.248 122 V C 2.208 178.385 176.094 0.138 0.000 1.051 122 V CA 1.764 64.138 62.300 0.123 0.000 1.048 122 V CB -0.966 31.032 31.823 0.292 0.000 0.666 122 V HN 0.714 nan 8.190 nan 0.000 0.456 123 W N 1.870 123.167 121.300 -0.005 0.000 2.355 123 W HA -0.254 4.403 4.660 -0.004 0.000 0.309 123 W C 2.555 179.061 176.519 -0.022 0.000 1.206 123 W CA 2.329 59.659 57.345 -0.025 0.000 1.284 123 W CB -0.126 29.302 29.460 -0.055 0.000 1.145 123 W HN 0.338 nan 8.180 nan 0.000 0.502 124 K N 0.777 121.218 120.400 0.068 0.000 2.074 124 K HA -0.304 4.014 4.320 -0.004 0.000 0.209 124 K C 1.645 178.169 176.600 -0.127 0.000 1.048 124 K CA 2.447 58.709 56.287 -0.042 0.000 0.926 124 K CB -0.857 31.654 32.500 0.019 0.000 0.713 124 K HN 0.065 nan 8.250 nan 0.000 0.444 125 D N 0.253 120.596 120.400 -0.095 0.000 2.149 125 D HA -0.095 4.543 4.640 -0.004 0.000 0.201 125 D C 2.070 178.283 176.300 -0.144 0.000 0.972 125 D CA 0.809 54.750 54.000 -0.098 0.000 0.835 125 D CB 0.067 40.825 40.800 -0.070 0.000 0.966 125 D HN 0.298 nan 8.370 nan 0.000 0.476 126 L N -0.024 121.076 121.223 -0.205 0.000 2.083 126 L HA -0.131 4.207 4.340 -0.004 0.000 0.209 126 L C 2.366 179.036 176.870 -0.333 0.000 1.083 126 L CA 0.719 55.393 54.840 -0.277 0.000 0.752 126 L CB -0.293 41.542 42.059 -0.374 0.000 0.899 126 L HN 0.236 nan 8.230 nan 0.000 0.433 127 L N -0.995 119.981 121.223 -0.412 0.000 2.179 127 L HA -0.129 4.209 4.340 -0.004 0.000 0.208 127 L C 2.094 178.850 176.870 -0.190 0.000 1.096 127 L CA 1.069 55.707 54.840 -0.336 0.000 0.779 127 L CB -0.300 41.539 42.059 -0.367 0.000 0.922 127 L HN 0.265 nan 8.230 nan 0.000 0.443 128 E N -1.092 119.015 120.200 -0.154 0.000 2.447 128 E HA -0.034 4.314 4.350 -0.004 0.000 0.195 128 E C -0.017 176.533 176.600 -0.083 0.000 1.028 128 E CA 0.054 56.395 56.400 -0.098 0.000 0.876 128 E CB 0.467 30.121 29.700 -0.076 0.000 0.885 128 E HN 0.157 nan 8.360 nan 0.000 0.500 129 D N 0.372 120.715 120.400 -0.094 0.000 2.542 129 D HA 0.037 4.675 4.640 -0.004 0.000 0.252 129 D C -0.114 176.136 176.300 -0.085 0.000 1.222 129 D CA -0.319 53.637 54.000 -0.074 0.000 0.895 129 D CB 1.370 42.133 40.800 -0.062 0.000 1.207 129 D HN -0.053 nan 8.370 nan 0.000 0.558 130 T N 0.503 115.014 114.554 -0.071 0.000 3.214 130 T HA 0.209 4.557 4.350 -0.004 0.000 0.264 130 T C 0.883 175.552 174.700 -0.052 0.000 1.012 130 T CA 0.025 62.083 62.100 -0.071 0.000 0.901 130 T CB 0.354 69.183 68.868 -0.065 0.000 1.070 130 T HN 0.166 nan 8.240 nan 0.000 0.561 131 V N 0.557 120.445 119.914 -0.043 0.000 3.102 131 V HA 0.291 4.409 4.120 -0.004 0.000 0.225 131 V C 0.383 176.466 176.094 -0.018 0.000 1.301 131 V CA 0.554 62.838 62.300 -0.027 0.000 1.308 131 V CB 0.439 32.249 31.823 -0.021 0.000 1.129 131 V HN 0.506 nan 8.190 nan 0.000 0.502 132 T N 4.481 119.024 114.554 -0.019 0.000 2.817 132 T HA 0.299 4.647 4.350 -0.004 0.000 0.295 132 T C -2.544 172.153 174.700 -0.004 0.000 0.958 132 T CA -0.517 61.581 62.100 -0.004 0.000 1.157 132 T CB 0.719 69.585 68.868 -0.004 0.000 0.898 132 T HN 0.356 nan 8.240 nan 0.000 0.536 133 P HA 0.112 nan 4.420 nan 0.000 0.264 133 P C -0.224 177.069 177.300 -0.011 0.000 1.183 133 P CA 0.041 63.143 63.100 0.003 0.000 0.763 133 P CB 0.316 32.044 31.700 0.048 0.000 0.807 134 I N 2.411 122.961 120.570 -0.033 0.000 2.440 134 I HA 0.138 4.306 4.170 -0.004 0.000 0.294 134 I C 0.941 177.042 176.117 -0.027 0.000 0.995 134 I CA -0.412 60.877 61.300 -0.017 0.000 1.306 134 I CB 0.787 38.774 38.000 -0.022 0.000 1.407 134 I HN 0.319 nan 8.210 nan 0.000 0.501 135 D N 3.995 124.394 120.400 -0.002 0.000 2.423 135 D HA 0.178 4.815 4.640 -0.004 0.000 0.238 135 D C -0.368 175.902 176.300 -0.051 0.000 1.142 135 D CA 0.311 54.297 54.000 -0.025 0.000 0.884 135 D CB 0.764 41.564 40.800 0.000 0.000 1.199 135 D HN 0.610 nan 8.370 nan 0.000 0.438 136 T N -0.661 113.834 114.554 -0.099 0.000 2.906 136 T HA 0.605 4.953 4.350 -0.004 0.000 0.295 136 T C -0.354 174.200 174.700 -0.244 0.000 1.061 136 T CA -0.967 61.036 62.100 -0.161 0.000 1.000 136 T CB 1.554 70.350 68.868 -0.120 0.000 1.103 136 T HN 0.216 nan 8.240 nan 0.000 0.486 137 T N 2.234 116.494 114.554 -0.491 0.000 2.867 137 T HA 0.617 4.964 4.350 -0.004 0.000 0.282 137 T C -0.434 173.990 174.700 -0.460 0.000 1.000 137 T CA -0.638 61.138 62.100 -0.539 0.000 1.042 137 T CB 0.842 69.201 68.868 -0.849 0.000 0.973 137 T HN 0.725 nan 8.240 nan 0.000 0.465 138 I N 2.837 123.301 120.570 -0.177 0.000 2.433 138 I HA 0.677 4.845 4.170 -0.004 0.000 0.292 138 I C -0.896 175.246 176.117 0.041 0.000 1.001 138 I CA -0.547 60.742 61.300 -0.018 0.000 1.119 138 I CB 1.137 39.184 38.000 0.078 0.000 1.289 138 I HN 0.447 nan 8.210 nan 0.000 0.438 139 M N 5.558 125.233 119.600 0.126 0.000 2.550 139 M HA 0.651 5.129 4.480 -0.004 0.000 0.292 139 M C -0.439 175.929 176.300 0.113 0.000 1.221 139 M CA -0.730 54.650 55.300 0.134 0.000 0.873 139 M CB 1.770 34.496 32.600 0.210 0.000 1.727 139 M HN 0.743 nan 8.290 nan 0.000 0.459 140 A N 1.598 124.464 122.820 0.078 0.000 2.366 140 A HA 0.607 4.925 4.320 -0.004 0.000 0.272 140 A C 0.060 177.687 177.584 0.070 0.000 1.135 140 A CA -0.348 51.727 52.037 0.064 0.000 0.804 140 A CB 0.177 19.203 19.000 0.042 0.000 1.064 140 A HN 0.905 nan 8.150 nan 0.000 0.499 141 K N 1.515 121.958 120.400 0.071 0.000 2.295 141 K HA 0.131 4.449 4.320 -0.004 0.000 0.270 141 K C -0.511 176.108 176.600 0.030 0.000 1.011 141 K CA 0.189 56.507 56.287 0.051 0.000 0.953 141 K CB 0.452 32.987 32.500 0.060 0.000 0.956 141 K HN 0.807 nan 8.250 nan 0.000 0.477 142 N N 2.625 121.314 118.700 -0.018 0.000 2.546 142 N HA 0.130 4.868 4.740 -0.004 0.000 0.238 142 N C -1.355 174.042 175.510 -0.188 0.000 0.984 142 N CA -0.384 52.623 53.050 -0.072 0.000 0.935 142 N CB 1.097 39.545 38.487 -0.065 0.000 1.122 142 N HN 0.394 nan 8.380 nan 0.000 0.510 143 E N 0.879 120.938 120.200 -0.235 0.000 2.343 143 E HA 0.444 4.792 4.350 -0.004 0.000 0.270 143 E C -0.970 175.145 176.600 -0.808 0.000 0.895 143 E CA -0.973 55.136 56.400 -0.484 0.000 0.767 143 E CB 2.671 32.147 29.700 -0.374 0.000 1.248 143 E HN 0.070 nan 8.360 nan 0.000 0.440 144 V N 3.068 122.341 119.914 -1.068 0.000 2.427 144 V HA 0.490 4.608 4.120 -0.004 0.000 0.286 144 V C -0.812 174.538 176.094 -1.239 0.000 1.034 144 V CA -0.243 61.448 62.300 -1.015 0.000 0.893 144 V CB 0.197 31.535 31.823 -0.808 0.000 0.982 144 V HN 0.518 nan 8.190 nan 0.000 0.452 145 F N 2.265 121.838 119.950 -0.628 0.000 2.675 145 F HA 0.584 5.109 4.527 -0.004 0.000 0.324 145 F C 0.115 175.702 175.800 -0.355 0.000 1.106 145 F CA -0.745 56.964 58.000 -0.485 0.000 0.970 145 F CB 1.343 40.052 39.000 -0.485 0.000 1.385 145 F HN 0.491 nan 8.300 nan 0.000 0.489 146 C N 1.620 121.010 119.300 0.150 0.000 2.365 146 C HA 0.680 5.137 4.460 -0.004 0.000 0.351 146 C C 0.289 175.504 174.990 0.375 0.000 1.240 146 C CA -0.567 58.581 59.018 0.217 0.000 2.062 146 C CB 0.485 28.303 27.740 0.130 0.000 2.387 146 C HN 0.617 nan 8.230 nan 0.000 0.537 147 V N 6.926 127.080 119.914 0.401 0.000 2.681 147 V HA 0.045 4.163 4.120 -0.004 0.000 0.306 147 V C 0.219 176.394 176.094 0.136 0.000 1.077 147 V CA 1.129 63.577 62.300 0.247 0.000 1.224 147 V CB 0.667 32.562 31.823 0.121 0.000 0.879 147 V HN 0.845 nan 8.190 nan 0.000 0.494 148 Q N 8.241 128.090 119.800 0.082 0.000 2.563 148 Q HA 0.289 4.627 4.340 -0.004 0.000 0.232 148 Q C -1.577 174.426 176.000 0.005 0.000 1.106 148 Q CA -1.716 54.107 55.803 0.033 0.000 0.913 148 Q CB 1.051 29.797 28.738 0.013 0.000 1.175 148 Q HN 0.632 nan 8.270 nan 0.000 0.540 149 P HA -0.071 nan 4.420 nan 0.000 0.223 149 P C 0.309 177.601 177.300 -0.013 0.000 1.151 149 P CA 1.017 64.111 63.100 -0.009 0.000 0.787 149 P CB 0.694 32.390 31.700 -0.006 0.000 0.788 150 E N -1.382 118.811 120.200 -0.013 0.000 2.508 150 E HA 0.041 4.389 4.350 -0.004 0.000 0.217 150 E C 0.681 177.269 176.600 -0.021 0.000 0.896 150 E CA -0.354 56.038 56.400 -0.015 0.000 1.118 150 E CB 0.245 29.938 29.700 -0.012 0.000 1.133 150 E HN -0.076 nan 8.360 nan 0.000 0.526 151 K N 1.407 121.793 120.400 -0.024 0.000 2.414 151 K HA 0.031 4.349 4.320 -0.004 0.000 0.272 151 K C 0.230 176.813 176.600 -0.030 0.000 0.993 151 K CA 0.019 56.289 56.287 -0.028 0.000 0.964 151 K CB 0.808 33.288 32.500 -0.032 0.000 0.925 151 K HN 0.072 nan 8.250 nan 0.000 0.487 152 G N 3.014 111.794 108.800 -0.034 0.000 3.343 152 G HA2 0.337 4.295 3.960 -0.004 0.000 0.264 152 G HA3 0.337 4.295 3.960 -0.004 0.000 0.264 152 G C 1.045 175.898 174.900 -0.078 0.000 0.884 152 G CA 0.049 45.122 45.100 -0.045 0.000 1.916 152 G HN 0.890 nan 8.290 nan 0.000 0.618 153 G N 2.101 110.858 108.800 -0.072 0.000 3.234 153 G HA2 -0.397 3.561 3.960 -0.004 0.000 0.328 153 G HA3 -0.397 3.561 3.960 -0.004 0.000 0.328 153 G C 0.917 175.722 174.900 -0.158 0.000 1.548 153 G CA 0.716 45.758 45.100 -0.097 0.000 1.655 153 G HN 0.710 nan 8.290 nan 0.000 1.022 154 R N 1.172 121.488 120.500 -0.307 0.000 2.349 154 R HA 0.469 4.807 4.340 -0.004 0.000 0.299 154 R C -0.032 176.173 176.300 -0.160 0.000 1.027 154 R CA -0.537 55.270 56.100 -0.487 0.000 0.958 154 R CB 1.269 31.100 30.300 -0.780 0.000 1.047 154 R HN 0.385 nan 8.270 nan 0.000 0.468 155 K N 3.092 123.482 120.400 -0.016 0.000 2.126 155 K HA 0.284 4.602 4.320 -0.004 0.000 0.257 155 K C -1.978 174.642 176.600 0.034 0.000 1.007 155 K CA -1.562 54.706 56.287 -0.031 0.000 0.928 155 K CB 0.431 32.854 32.500 -0.128 0.000 1.013 155 K HN 0.363 nan 8.250 nan 0.000 0.473 156 P HA 0.071 nan 4.420 nan 0.000 0.276 156 P C -0.963 176.382 177.300 0.075 0.000 1.261 156 P CA -0.514 62.609 63.100 0.038 0.000 0.800 156 P CB 0.517 32.218 31.700 0.002 0.000 1.066 157 A N 1.932 124.803 122.820 0.084 0.000 2.540 157 A HA 0.082 4.400 4.320 -0.004 0.000 0.239 157 A C 0.710 178.341 177.584 0.078 0.000 1.061 157 A CA -0.029 52.068 52.037 0.101 0.000 0.758 157 A CB -0.435 18.612 19.000 0.077 0.000 0.991 157 A HN 0.433 nan 8.150 nan 0.000 0.502 158 R N 0.633 121.195 120.500 0.104 0.000 2.679 158 R HA 0.424 4.762 4.340 -0.004 0.000 0.269 158 R C -0.572 175.781 176.300 0.089 0.000 1.076 158 R CA -0.145 56.013 56.100 0.096 0.000 1.160 158 R CB 0.326 30.698 30.300 0.120 0.000 1.054 158 R HN 0.669 nan 8.270 nan 0.000 0.507 159 L N 2.204 123.482 121.223 0.093 0.000 2.331 159 L HA 0.574 4.912 4.340 -0.004 0.000 0.275 159 L C -0.430 176.526 176.870 0.143 0.000 1.022 159 L CA -0.990 53.911 54.840 0.101 0.000 0.812 159 L CB 1.517 43.622 42.059 0.075 0.000 1.257 159 L HN 0.477 nan 8.230 nan 0.000 0.435 160 I N 1.800 122.474 120.570 0.174 0.000 2.582 160 I HA 0.515 4.683 4.170 -0.004 0.000 0.292 160 I C -1.120 175.173 176.117 0.293 0.000 1.066 160 I CA -0.371 61.069 61.300 0.233 0.000 1.053 160 I CB 2.116 40.252 38.000 0.225 0.000 1.241 160 I HN 0.192 nan 8.210 nan 0.000 0.421 161 V N 8.511 128.597 119.914 0.287 0.000 2.443 161 V HA 0.577 4.695 4.120 -0.004 0.000 0.293 161 V C -0.845 175.408 176.094 0.264 0.000 1.021 161 V CA -0.470 61.943 62.300 0.188 0.000 0.848 161 V CB 1.065 32.983 31.823 0.158 0.000 0.998 161 V HN 0.579 nan 8.190 nan 0.000 0.424 162 F N 5.011 125.005 119.950 0.072 0.000 2.601 162 F HA 0.938 5.463 4.527 -0.004 0.000 0.309 162 F C -2.945 172.891 175.800 0.061 0.000 1.089 162 F CA -2.659 55.382 58.000 0.069 0.000 0.940 162 F CB 1.804 40.840 39.000 0.060 0.000 1.273 162 F HN 0.289 nan 8.300 nan 0.000 0.450 163 P HA 0.151 nan 4.420 nan 0.000 0.279 163 P C -1.053 176.377 177.300 0.215 0.000 1.282 163 P CA -0.130 63.044 63.100 0.124 0.000 0.788 163 P CB 1.037 32.815 31.700 0.131 0.000 1.139 164 D N -0.955 119.543 120.400 0.164 0.000 2.382 164 D HA -0.028 4.610 4.640 -0.004 0.000 0.240 164 D C 1.353 177.749 176.300 0.160 0.000 1.146 164 D CA -0.330 53.777 54.000 0.179 0.000 0.897 164 D CB 0.274 41.214 40.800 0.232 0.000 1.197 164 D HN 0.100 nan 8.370 nan 0.000 0.432 165 L N 3.510 124.795 121.223 0.103 0.000 2.051 165 L HA -0.054 4.284 4.340 -0.004 0.000 0.214 165 L C 2.008 178.922 176.870 0.073 0.000 1.076 165 L CA 2.656 57.535 54.840 0.064 0.000 0.758 165 L CB -1.150 40.903 42.059 -0.010 0.000 0.890 165 L HN 0.664 nan 8.230 nan 0.000 0.433 166 G N -1.117 107.699 108.800 0.026 0.000 2.446 166 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.217 166 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.217 166 G C 1.552 176.495 174.900 0.072 0.000 1.168 166 G CA 1.231 46.297 45.100 -0.057 0.000 0.771 166 G HN 0.364 nan 8.290 nan 0.000 0.551 167 V N 0.962 120.949 119.914 0.122 0.000 2.392 167 V HA -0.201 3.917 4.120 -0.004 0.000 0.249 167 V C 2.951 179.123 176.094 0.129 0.000 1.059 167 V CA 2.069 64.449 62.300 0.134 0.000 1.051 167 V CB -0.485 31.414 31.823 0.126 0.000 0.658 167 V HN 0.357 nan 8.190 nan 0.000 0.455 168 R N -0.350 120.224 120.500 0.124 0.000 2.096 168 R HA -0.111 4.227 4.340 -0.004 0.000 0.235 168 R C 2.215 178.569 176.300 0.089 0.000 1.127 168 R CA 1.409 57.580 56.100 0.118 0.000 0.968 168 R CB -0.631 29.733 30.300 0.106 0.000 0.861 168 R HN 0.438 nan 8.270 nan 0.000 0.440 169 V N 0.561 120.514 119.914 0.065 0.000 2.358 169 V HA -0.273 3.845 4.120 -0.004 0.000 0.246 169 V C 2.494 178.602 176.094 0.023 0.000 1.047 169 V CA 1.531 63.843 62.300 0.019 0.000 1.035 169 V CB -0.468 31.350 31.823 -0.009 0.000 0.658 169 V HN 0.437 nan 8.190 nan 0.000 0.452 170 C N -0.136 119.220 119.300 0.093 0.000 2.422 170 C HA -0.128 4.330 4.460 -0.004 0.000 0.279 170 C C 2.638 177.770 174.990 0.237 0.000 1.305 170 C CA 0.713 59.853 59.018 0.203 0.000 1.757 170 C CB -1.042 26.912 27.740 0.358 0.000 1.962 170 C HN 0.615 nan 8.230 nan 0.000 0.499 171 E N 0.874 121.183 120.200 0.181 0.000 2.085 171 E HA -0.219 4.129 4.350 -0.004 0.000 0.194 171 E C 2.173 178.865 176.600 0.153 0.000 0.994 171 E CA 1.157 57.672 56.400 0.193 0.000 0.801 171 E CB -0.149 29.672 29.700 0.202 0.000 0.743 171 E HN 0.640 nan 8.360 nan 0.000 0.453 172 K N 0.229 120.692 120.400 0.106 0.000 2.097 172 K HA -0.104 4.214 4.320 -0.004 0.000 0.206 172 K C 2.200 178.821 176.600 0.034 0.000 1.049 172 K CA 1.230 57.573 56.287 0.094 0.000 0.933 172 K CB -0.111 32.404 32.500 0.025 0.000 0.717 172 K HN 0.126 nan 8.250 nan 0.000 0.442 173 M N 0.309 119.873 119.600 -0.061 0.000 2.080 173 M HA -0.194 4.284 4.480 -0.004 0.000 0.260 173 M C 2.429 178.686 176.300 -0.071 0.000 1.068 173 M CA 1.878 57.044 55.300 -0.224 0.000 1.109 173 M CB -0.369 31.851 32.600 -0.635 0.000 1.342 173 M HN 0.200 nan 8.290 nan 0.000 0.405 174 A N -0.549 122.357 122.820 0.144 0.000 1.930 174 A HA 0.038 4.356 4.320 -0.004 0.000 0.215 174 A C 1.880 179.528 177.584 0.106 0.000 1.176 174 A CA 1.250 53.440 52.037 0.254 0.000 0.632 174 A CB -0.211 18.998 19.000 0.348 0.000 0.819 174 A HN 0.503 nan 8.150 nan 0.000 0.445 175 L N -3.459 117.807 121.223 0.070 0.000 3.174 175 L HA 0.196 4.534 4.340 -0.004 0.000 0.283 175 L C 1.790 178.640 176.870 -0.035 0.000 1.187 175 L CA 0.014 54.836 54.840 -0.031 0.000 1.018 175 L CB 0.092 42.106 42.059 -0.075 0.000 1.433 175 L HN 0.448 nan 8.230 nan 0.000 0.593 176 Y N 1.462 121.721 120.300 -0.068 0.000 2.128 176 Y HA -0.340 4.208 4.550 -0.004 0.000 0.284 176 Y C 2.148 178.001 175.900 -0.078 0.000 1.154 176 Y CA 2.347 60.403 58.100 -0.073 0.000 1.149 176 Y CB 0.159 38.578 38.460 -0.067 0.000 0.976 176 Y HN 0.206 nan 8.280 nan 0.000 0.505 177 D N -1.019 119.420 120.400 0.065 0.000 2.269 177 D HA -0.116 4.522 4.640 -0.004 0.000 0.208 177 D C 1.990 178.232 176.300 -0.097 0.000 0.963 177 D CA 0.935 54.932 54.000 -0.004 0.000 0.864 177 D CB 0.030 40.859 40.800 0.047 0.000 0.936 177 D HN 0.283 nan 8.370 nan 0.000 0.505 178 V N 0.072 119.912 119.914 -0.123 0.000 2.302 178 V HA -0.151 3.967 4.120 -0.004 0.000 0.243 178 V C 2.647 178.623 176.094 -0.198 0.000 1.036 178 V CA 1.488 63.697 62.300 -0.151 0.000 1.020 178 V CB -0.368 31.334 31.823 -0.202 0.000 0.657 178 V HN 0.281 nan 8.190 nan 0.000 0.453 179 V N -0.037 119.726 119.914 -0.252 0.000 2.759 179 V HA -0.111 4.007 4.120 -0.004 0.000 0.256 179 V C 2.226 178.161 176.094 -0.265 0.000 1.080 179 V CA 2.050 64.204 62.300 -0.242 0.000 1.101 179 V CB -0.914 30.765 31.823 -0.239 0.000 0.698 179 V HN 0.623 nan 8.190 nan 0.000 0.477 180 S N -1.005 114.496 115.700 -0.332 0.000 2.558 180 S HA 0.059 4.527 4.470 -0.004 0.000 0.217 180 S C 1.425 175.907 174.600 -0.197 0.000 0.975 180 S CA 0.771 58.782 58.200 -0.315 0.000 0.912 180 S CB 0.060 62.962 63.200 -0.497 0.000 0.776 180 S HN 0.657 nan 8.310 nan 0.000 0.526 181 T N 0.812 115.252 114.554 -0.190 0.000 3.048 181 T HA 0.288 4.636 4.350 -0.004 0.000 0.254 181 T C 1.190 175.775 174.700 -0.191 0.000 0.942 181 T CA 0.195 62.200 62.100 -0.158 0.000 0.931 181 T CB -0.164 68.639 68.868 -0.108 0.000 1.220 181 T HN 0.226 nan 8.240 nan 0.000 0.503 182 L N 3.495 124.605 121.223 -0.188 0.000 2.005 182 L HA 0.134 4.472 4.340 -0.004 0.000 0.207 182 L C -0.957 175.753 176.870 -0.265 0.000 1.072 182 L CA 1.892 56.633 54.840 -0.165 0.000 0.744 182 L CB -1.119 40.898 42.059 -0.069 0.000 0.895 182 L HN 0.032 nan 8.230 nan 0.000 0.433 183 P HA -0.263 nan 4.420 nan 0.000 0.216 183 P C 1.475 178.320 177.300 -0.758 0.000 1.150 183 P CA 1.849 64.573 63.100 -0.626 0.000 0.837 183 P CB -0.186 30.972 31.700 -0.904 0.000 0.786 184 Q N 0.266 119.599 119.800 -0.778 0.000 2.077 184 Q HA -0.138 4.200 4.340 -0.004 0.000 0.206 184 Q C 1.877 177.729 176.000 -0.248 0.000 0.989 184 Q CA 2.203 57.759 55.803 -0.412 0.000 0.853 184 Q CB -0.958 27.642 28.738 -0.230 0.000 0.907 184 Q HN 0.019 nan 8.270 nan 0.000 0.418 185 V N 0.111 119.893 119.914 -0.220 0.000 2.323 185 V HA -0.178 3.940 4.120 -0.004 0.000 0.244 185 V C 2.360 178.366 176.094 -0.146 0.000 1.041 185 V CA 1.362 63.576 62.300 -0.144 0.000 1.025 185 V CB -0.192 31.564 31.823 -0.112 0.000 0.656 185 V HN 0.330 nan 8.190 nan 0.000 0.451 186 V N -0.496 119.304 119.914 -0.189 0.000 2.343 186 V HA -0.261 3.857 4.120 -0.004 0.000 0.247 186 V C 2.089 178.024 176.094 -0.264 0.000 1.051 186 V CA 2.393 64.579 62.300 -0.190 0.000 1.036 186 V CB -0.471 31.231 31.823 -0.202 0.000 0.654 186 V HN 0.483 nan 8.190 nan 0.000 0.451 187 M N -1.705 117.675 119.600 -0.368 0.000 2.367 187 M HA 0.370 4.848 4.480 -0.004 0.000 0.256 187 M C 1.437 177.608 176.300 -0.215 0.000 1.091 187 M CA 0.759 55.754 55.300 -0.508 0.000 1.049 187 M CB 0.668 32.844 32.600 -0.706 0.000 1.406 187 M HN 0.466 nan 8.290 nan 0.000 0.498 188 G N 1.628 110.340 108.800 -0.147 0.000 2.611 188 G HA2 -0.396 3.562 3.960 -0.004 0.000 0.301 188 G HA3 -0.396 3.562 3.960 -0.004 0.000 0.301 188 G C 0.831 175.685 174.900 -0.078 0.000 1.233 188 G CA 0.846 45.901 45.100 -0.074 0.000 0.993 188 G HN 0.525 nan 8.290 nan 0.000 0.553 189 S N -0.576 115.099 115.700 -0.041 0.000 2.507 189 S HA 0.091 4.559 4.470 -0.004 0.000 0.235 189 S C 2.171 176.581 174.600 -0.316 0.000 0.988 189 S CA 1.912 60.029 58.200 -0.139 0.000 0.944 189 S CB -0.096 63.128 63.200 0.040 0.000 0.762 189 S HN 1.055 nan 8.310 nan 0.000 0.526 190 S N 0.336 115.989 115.700 -0.079 0.000 2.515 190 S HA 0.106 4.573 4.470 -0.004 0.000 0.231 190 S C 0.177 174.748 174.600 -0.049 0.000 0.987 190 S CA -0.056 58.146 58.200 0.003 0.000 0.936 190 S CB -0.431 62.897 63.200 0.214 0.000 0.766 190 S HN 0.714 nan 8.310 nan 0.000 0.528 191 Y N 2.864 123.000 120.300 -0.272 0.000 2.539 191 Y HA 0.476 5.024 4.550 -0.003 0.000 0.352 191 Y C 1.235 176.902 175.900 -0.389 0.000 1.004 191 Y CA -1.509 56.420 58.100 -0.284 0.000 1.278 191 Y CB -0.033 38.268 38.460 -0.266 0.000 1.136 191 Y HN 0.049 nan 8.280 nan 0.000 0.528 192 G N 4.502 112.910 108.800 -0.654 0.000 2.422 192 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.218 192 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.218 192 G C 1.185 175.605 174.900 -0.800 0.000 1.140 192 G CA 0.277 45.003 45.100 -0.624 0.000 0.775 192 G HN 0.699 nan 8.290 nan 0.000 0.545 193 F N 1.300 120.654 119.950 -0.993 0.000 2.604 193 F HA 0.004 4.529 4.527 -0.004 0.000 0.298 193 F C 2.910 178.379 175.800 -0.551 0.000 1.131 193 F CA 1.008 58.584 58.000 -0.707 0.000 1.457 193 F CB 0.092 38.696 39.000 -0.659 0.000 1.095 193 F HN 0.295 nan 8.300 nan 0.000 0.574 194 Q N -0.076 119.385 119.800 -0.565 0.000 2.436 194 Q HA -0.097 4.241 4.340 -0.004 0.000 0.209 194 Q C -0.467 175.340 176.000 -0.322 0.000 0.965 194 Q CA 0.800 56.376 55.803 -0.377 0.000 0.910 194 Q CB -0.392 28.088 28.738 -0.429 0.000 0.980 194 Q HN 0.431 nan 8.270 nan 0.000 0.491 195 Y N 1.875 122.092 120.300 -0.138 0.000 2.330 195 Y HA 0.270 4.818 4.550 -0.004 0.000 0.336 195 Y C 0.678 176.525 175.900 -0.088 0.000 1.036 195 Y CA -1.165 56.867 58.100 -0.114 0.000 1.125 195 Y CB 1.469 39.839 38.460 -0.150 0.000 1.194 195 Y HN 0.090 nan 8.280 nan 0.000 0.469 196 S N 2.580 118.346 115.700 0.110 0.000 2.596 196 S HA 0.121 4.589 4.470 -0.004 0.000 0.260 196 S C -1.976 172.621 174.600 -0.006 0.000 1.336 196 S CA -1.054 57.167 58.200 0.034 0.000 0.993 196 S CB 1.008 64.211 63.200 0.006 0.000 0.923 196 S HN 0.450 nan 8.310 nan 0.000 0.567 197 P HA -0.041 nan 4.420 nan 0.000 0.216 197 P C 1.675 178.944 177.300 -0.053 0.000 1.153 197 P CA 1.845 64.899 63.100 -0.076 0.000 0.858 197 P CB -0.533 31.099 31.700 -0.114 0.000 0.789 198 G N -0.520 108.249 108.800 -0.052 0.000 2.408 198 G HA2 -0.240 3.717 3.960 -0.004 0.000 0.217 198 G HA3 -0.240 3.717 3.960 -0.004 0.000 0.217 198 G C 1.490 176.352 174.900 -0.063 0.000 1.150 198 G CA 0.469 45.539 45.100 -0.049 0.000 0.776 198 G HN 0.317 nan 8.290 nan 0.000 0.542 199 Q N -0.490 119.274 119.800 -0.060 0.000 2.230 199 Q HA 0.065 4.403 4.340 -0.004 0.000 0.202 199 Q C 2.534 178.326 176.000 -0.346 0.000 0.963 199 Q CA 0.595 56.334 55.803 -0.108 0.000 0.866 199 Q CB -0.065 28.701 28.738 0.047 0.000 0.931 199 Q HN 0.438 nan 8.270 nan 0.000 0.452 200 R N 0.503 120.840 120.500 -0.271 0.000 2.073 200 R HA -0.135 4.203 4.340 -0.004 0.000 0.234 200 R C 2.081 178.270 176.300 -0.185 0.000 1.134 200 R CA 1.221 57.140 56.100 -0.301 0.000 0.952 200 R CB -0.158 30.079 30.300 -0.105 0.000 0.850 200 R HN 0.088 nan 8.270 nan 0.000 0.433 201 V N 1.466 121.305 119.914 -0.125 0.000 2.287 201 V HA -0.272 3.846 4.120 -0.004 0.000 0.248 201 V C 2.388 178.400 176.094 -0.137 0.000 1.053 201 V CA 2.321 64.557 62.300 -0.107 0.000 1.027 201 V CB -0.638 31.159 31.823 -0.042 0.000 0.646 201 V HN 0.517 nan 8.190 nan 0.000 0.447 202 E N -0.397 119.730 120.200 -0.122 0.000 2.058 202 E HA -0.294 4.054 4.350 -0.004 0.000 0.194 202 E C 2.137 178.663 176.600 -0.123 0.000 0.997 202 E CA 1.905 58.237 56.400 -0.112 0.000 0.801 202 E CB -0.260 29.396 29.700 -0.075 0.000 0.746 202 E HN 0.550 nan 8.360 nan 0.000 0.450 203 F N 1.172 120.932 119.950 -0.316 0.000 2.102 203 F HA -0.147 4.378 4.527 -0.004 0.000 0.298 203 F C 1.975 177.662 175.800 -0.189 0.000 1.105 203 F CA 1.358 59.183 58.000 -0.291 0.000 1.239 203 F CB -0.218 38.471 39.000 -0.517 0.000 0.991 203 F HN 0.014 nan 8.300 nan 0.000 0.474 204 L N -0.806 120.291 121.223 -0.210 0.000 2.046 204 L HA -0.215 4.123 4.340 -0.004 0.000 0.208 204 L C 2.356 179.088 176.870 -0.231 0.000 1.077 204 L CA 1.045 55.748 54.840 -0.229 0.000 0.747 204 L CB -0.737 41.235 42.059 -0.144 0.000 0.896 204 L HN 0.026 nan 8.230 nan 0.000 0.432 205 V N -0.127 119.629 119.914 -0.263 0.000 2.323 205 V HA -0.228 3.890 4.120 -0.004 0.000 0.244 205 V C 2.187 178.159 176.094 -0.205 0.000 1.041 205 V CA 1.672 63.785 62.300 -0.311 0.000 1.025 205 V CB -0.616 30.871 31.823 -0.560 0.000 0.656 205 V HN 0.467 nan 8.190 nan 0.000 0.451 206 N N 0.128 118.698 118.700 -0.217 0.000 2.166 206 N HA -0.137 4.600 4.740 -0.004 0.000 0.186 206 N C 1.908 177.303 175.510 -0.191 0.000 1.019 206 N CA 1.929 54.875 53.050 -0.173 0.000 0.856 206 N CB -0.619 37.779 38.487 -0.148 0.000 0.993 206 N HN 0.443 nan 8.380 nan 0.000 0.426 207 T N 0.644 115.012 114.554 -0.310 0.000 2.708 207 T HA -0.154 4.193 4.350 -0.004 0.000 0.266 207 T C 1.502 176.122 174.700 -0.134 0.000 1.037 207 T CA 0.776 62.690 62.100 -0.311 0.000 1.146 207 T CB -0.254 68.293 68.868 -0.534 0.000 0.865 207 T HN 0.431 nan 8.240 nan 0.000 0.435 208 W N 2.240 123.385 121.300 -0.258 0.000 2.355 208 W HA -0.098 4.560 4.660 -0.003 0.000 0.309 208 W C 1.831 178.265 176.519 -0.141 0.000 1.206 208 W CA 1.220 58.455 57.345 -0.183 0.000 1.284 208 W CB -0.193 29.156 29.460 -0.185 0.000 1.145 208 W HN 0.254 nan 8.180 nan 0.000 0.502 209 K N 0.298 120.715 120.400 0.028 0.000 2.362 209 K HA -0.127 4.191 4.320 -0.004 0.000 0.200 209 K C 2.120 178.659 176.600 -0.102 0.000 1.046 209 K CA 1.532 57.795 56.287 -0.038 0.000 0.952 209 K CB -0.266 32.226 32.500 -0.013 0.000 0.753 209 K HN 0.078 nan 8.250 nan 0.000 0.466 210 S N 0.545 116.172 115.700 -0.121 0.000 2.489 210 S HA -0.001 4.467 4.470 -0.004 0.000 0.228 210 S C 0.567 175.086 174.600 -0.136 0.000 0.995 210 S CA 0.248 58.380 58.200 -0.113 0.000 0.934 210 S CB 0.061 63.197 63.200 -0.107 0.000 0.771 210 S HN -0.034 nan 8.310 nan 0.000 0.522 211 K N 1.957 122.235 120.400 -0.204 0.000 2.174 211 K HA 0.304 4.622 4.320 -0.004 0.000 0.275 211 K C 0.767 177.247 176.600 -0.200 0.000 1.015 211 K CA -0.397 55.761 56.287 -0.216 0.000 0.933 211 K CB 1.296 33.611 32.500 -0.308 0.000 1.025 211 K HN 0.158 nan 8.250 nan 0.000 0.463 212 K N 1.781 122.096 120.400 -0.142 0.000 2.002 212 K HA -0.100 4.218 4.320 -0.004 0.000 0.209 212 K C -0.141 176.381 176.600 -0.130 0.000 1.048 212 K CA 1.300 57.520 56.287 -0.111 0.000 0.930 212 K CB 0.245 32.698 32.500 -0.077 0.000 0.714 212 K HN 0.475 nan 8.250 nan 0.000 0.438 213 N N 1.691 120.304 118.700 -0.145 0.000 2.746 213 N HA 0.238 4.976 4.740 -0.004 0.000 0.250 213 N C -2.810 172.569 175.510 -0.218 0.000 1.146 213 N CA -1.200 51.764 53.050 -0.143 0.000 0.828 213 N CB 1.846 40.287 38.487 -0.077 0.000 1.158 213 N HN 0.138 nan 8.380 nan 0.000 0.519 214 P HA 0.146 nan 4.420 nan 0.000 0.275 214 P C -0.258 176.726 177.300 -0.526 0.000 1.227 214 P CA -0.260 62.365 63.100 -0.792 0.000 0.781 214 P CB 1.199 31.746 31.700 -1.922 0.000 0.906 215 M N 2.385 121.785 119.600 -0.335 0.000 2.530 215 M HA 0.692 5.170 4.480 -0.004 0.000 0.307 215 M C -0.953 175.333 176.300 -0.023 0.000 1.161 215 M CA -0.364 54.838 55.300 -0.164 0.000 0.903 215 M CB 2.462 35.013 32.600 -0.081 0.000 1.711 215 M HN 0.568 nan 8.290 nan 0.000 0.451 216 G N 3.333 112.222 108.800 0.148 0.000 2.672 216 G HA2 0.821 4.779 3.960 -0.004 0.000 0.292 216 G HA3 0.821 4.779 3.960 -0.004 0.000 0.292 216 G C -2.047 172.945 174.900 0.153 0.000 1.375 216 G CA -0.641 44.547 45.100 0.147 0.000 0.890 216 G HN 0.794 nan 8.290 nan 0.000 0.476 217 F N -0.488 119.428 119.950 -0.056 0.000 2.641 217 F HA 0.774 5.299 4.527 -0.004 0.000 0.308 217 F C -0.095 175.689 175.800 -0.026 0.000 1.105 217 F CA -1.472 56.491 58.000 -0.062 0.000 0.964 217 F CB 1.327 40.272 39.000 -0.091 0.000 1.294 217 F HN 0.617 nan 8.300 nan 0.000 0.442 218 S N 1.276 117.053 115.700 0.128 0.000 2.586 218 S HA 0.559 5.027 4.470 -0.004 0.000 0.274 218 S C -1.399 173.401 174.600 0.333 0.000 1.281 218 S CA -0.497 57.773 58.200 0.116 0.000 1.035 218 S CB 1.355 64.592 63.200 0.063 0.000 0.962 218 S HN 0.826 nan 8.310 nan 0.000 0.512 219 Y N 1.220 121.639 120.300 0.198 0.000 2.326 219 Y HA 0.438 4.986 4.550 -0.003 0.000 0.331 219 Y C -1.078 174.950 175.900 0.213 0.000 0.962 219 Y CA -0.931 57.344 58.100 0.291 0.000 1.167 219 Y CB 1.414 40.141 38.460 0.446 0.000 1.148 219 Y HN 0.847 nan 8.280 nan 0.000 0.463 220 D N 4.337 124.562 120.400 -0.292 0.000 2.412 220 D HA 0.242 4.880 4.640 -0.004 0.000 0.224 220 D C -0.730 175.425 176.300 -0.241 0.000 1.093 220 D CA -0.091 53.823 54.000 -0.144 0.000 0.850 220 D CB 1.031 41.776 40.800 -0.092 0.000 1.046 220 D HN 0.474 nan 8.370 nan 0.000 0.507 221 T N 3.669 118.262 114.554 0.064 0.000 2.884 221 T HA 0.105 4.453 4.350 -0.004 0.000 0.298 221 T C 0.479 175.267 174.700 0.146 0.000 0.998 221 T CA -0.462 61.755 62.100 0.194 0.000 1.124 221 T CB 0.662 69.861 68.868 0.552 0.000 0.931 221 T HN 0.299 nan 8.240 nan 0.000 0.531 222 R N 2.432 122.977 120.500 0.075 0.000 2.399 222 R HA 0.098 4.436 4.340 -0.004 0.000 0.324 222 R C -0.371 176.031 176.300 0.170 0.000 1.030 222 R CA -0.224 55.914 56.100 0.063 0.000 0.984 222 R CB -0.884 29.391 30.300 -0.043 0.000 0.961 222 R HN 0.926 nan 8.270 nan 0.000 0.433 223 C N 5.564 124.998 119.300 0.223 0.000 3.514 223 C HA -0.168 4.290 4.460 -0.004 0.000 0.286 223 C C 1.302 176.505 174.990 0.354 0.000 1.302 223 C CA 0.215 59.419 59.018 0.308 0.000 2.239 223 C CB -2.956 25.034 27.740 0.416 0.000 1.429 223 C HN 1.034 nan 8.230 nan 0.000 0.565 224 F N 1.696 121.768 119.950 0.204 0.000 2.091 224 F HA -0.203 4.321 4.527 -0.004 0.000 0.299 224 F C 1.977 177.893 175.800 0.193 0.000 1.103 224 F CA 2.394 60.515 58.000 0.202 0.000 1.228 224 F CB 0.041 39.148 39.000 0.179 0.000 0.984 224 F HN 0.489 nan 8.300 nan 0.000 0.477 225 D N -0.360 120.290 120.400 0.416 0.000 2.123 225 D HA -0.174 4.463 4.640 -0.004 0.000 0.196 225 D C 2.469 178.850 176.300 0.135 0.000 0.992 225 D CA 1.664 55.837 54.000 0.287 0.000 0.833 225 D CB -0.594 40.366 40.800 0.266 0.000 0.954 225 D HN 0.241 nan 8.370 nan 0.000 0.455 226 S N -0.352 115.442 115.700 0.157 0.000 2.399 226 S HA -0.131 4.337 4.470 -0.004 0.000 0.231 226 S C 2.080 176.665 174.600 -0.024 0.000 1.022 226 S CA 1.584 59.783 58.200 -0.001 0.000 0.983 226 S CB -0.331 62.842 63.200 -0.045 0.000 0.803 226 S HN 0.552 nan 8.310 nan 0.000 0.480 227 T N -0.340 114.278 114.554 0.107 0.000 3.055 227 T HA 0.100 4.448 4.350 -0.004 0.000 0.265 227 T C 0.658 175.302 174.700 -0.093 0.000 1.111 227 T CA 0.095 62.237 62.100 0.070 0.000 1.118 227 T CB -0.473 68.376 68.868 -0.032 0.000 0.909 227 T HN 0.051 nan 8.240 nan 0.000 0.501 228 V N 4.091 123.915 119.914 -0.149 0.000 2.485 228 V HA 0.274 4.392 4.120 -0.004 0.000 0.287 228 V C 1.171 177.231 176.094 -0.058 0.000 1.022 228 V CA -0.184 62.053 62.300 -0.105 0.000 1.067 228 V CB -0.071 31.738 31.823 -0.023 0.000 0.967 228 V HN 0.718 nan 8.190 nan 0.000 0.479 229 T N 0.852 115.383 114.554 -0.039 0.000 2.881 229 T HA 0.288 4.636 4.350 -0.004 0.000 0.278 229 T C 1.080 175.770 174.700 -0.016 0.000 0.982 229 T CA -0.307 61.774 62.100 -0.032 0.000 0.989 229 T CB 1.440 70.293 68.868 -0.026 0.000 1.058 229 T HN 0.709 nan 8.240 nan 0.000 0.529 230 E N 0.722 120.911 120.200 -0.018 0.000 2.065 230 E HA -0.338 4.009 4.350 -0.004 0.000 0.201 230 E C 1.925 178.530 176.600 0.008 0.000 1.016 230 E CA 1.988 58.388 56.400 -0.001 0.000 0.818 230 E CB -0.234 29.463 29.700 -0.004 0.000 0.749 230 E HN 0.764 nan 8.360 nan 0.000 0.453 231 N N 0.373 119.072 118.700 -0.001 0.000 2.166 231 N HA -0.164 4.574 4.740 -0.004 0.000 0.186 231 N C 1.384 176.907 175.510 0.022 0.000 1.019 231 N CA 1.732 54.784 53.050 0.003 0.000 0.856 231 N CB -0.063 38.414 38.487 -0.016 0.000 0.993 231 N HN 0.182 nan 8.380 nan 0.000 0.426 232 D N -0.051 120.364 120.400 0.024 0.000 2.123 232 D HA -0.121 4.517 4.640 -0.004 0.000 0.196 232 D C 1.874 178.196 176.300 0.037 0.000 0.992 232 D CA 0.932 54.961 54.000 0.050 0.000 0.833 232 D CB -0.193 40.633 40.800 0.044 0.000 0.954 232 D HN 0.424 nan 8.370 nan 0.000 0.455 233 I N 0.425 121.016 120.570 0.035 0.000 2.353 233 I HA -0.149 4.019 4.170 -0.004 0.000 0.248 233 I C 2.441 178.581 176.117 0.039 0.000 1.119 233 I CA 0.694 62.022 61.300 0.048 0.000 1.417 233 I CB -0.036 38.010 38.000 0.077 0.000 1.078 233 I HN -0.126 nan 8.210 nan 0.000 0.421 234 R N 0.144 120.664 120.500 0.033 0.000 2.096 234 R HA -0.100 4.238 4.340 -0.004 0.000 0.235 234 R C 2.323 178.618 176.300 -0.008 0.000 1.127 234 R CA 1.092 57.205 56.100 0.022 0.000 0.968 234 R CB -0.449 29.864 30.300 0.022 0.000 0.861 234 R HN 0.207 nan 8.270 nan 0.000 0.440 235 V N 1.423 121.334 119.914 -0.005 0.000 2.343 235 V HA -0.244 3.873 4.120 -0.004 0.000 0.247 235 V C 1.967 177.990 176.094 -0.117 0.000 1.051 235 V CA 1.835 64.121 62.300 -0.023 0.000 1.036 235 V CB -0.400 31.448 31.823 0.042 0.000 0.654 235 V HN 0.348 nan 8.190 nan 0.000 0.451 236 E N -0.374 119.732 120.200 -0.157 0.000 2.058 236 E HA -0.268 4.080 4.350 -0.004 0.000 0.194 236 E C 2.377 178.585 176.600 -0.654 0.000 0.997 236 E CA 1.405 57.566 56.400 -0.399 0.000 0.801 236 E CB -0.204 29.314 29.700 -0.304 0.000 0.746 236 E HN 0.537 nan 8.360 nan 0.000 0.450 237 E N 0.648 120.680 120.200 -0.281 0.000 2.077 237 E HA -0.192 4.156 4.350 -0.004 0.000 0.193 237 E C 2.147 178.706 176.600 -0.067 0.000 0.989 237 E CA 1.564 57.919 56.400 -0.075 0.000 0.800 237 E CB -0.016 29.736 29.700 0.087 0.000 0.746 237 E HN 0.245 nan 8.360 nan 0.000 0.452 238 S N 0.041 115.691 115.700 -0.083 0.000 2.423 238 S HA -0.094 4.374 4.470 -0.004 0.000 0.231 238 S C 2.158 176.719 174.600 -0.066 0.000 1.014 238 S CA 0.844 59.017 58.200 -0.045 0.000 0.965 238 S CB -0.494 62.688 63.200 -0.031 0.000 0.785 238 S HN 0.268 nan 8.310 nan 0.000 0.495 239 I N 0.298 120.774 120.570 -0.157 0.000 2.286 239 I HA -0.111 4.057 4.170 -0.004 0.000 0.245 239 I C 2.334 178.431 176.117 -0.033 0.000 1.104 239 I CA 1.314 62.533 61.300 -0.134 0.000 1.397 239 I CB -0.519 37.360 38.000 -0.201 0.000 1.072 239 I HN 0.271 nan 8.210 nan 0.000 0.417 240 Y N 0.665 120.966 120.300 0.002 0.000 2.165 240 Y HA -0.271 4.277 4.550 -0.004 0.000 0.286 240 Y C 2.683 178.588 175.900 0.009 0.000 1.155 240 Y CA 0.374 58.477 58.100 0.005 0.000 1.164 240 Y CB -0.281 38.195 38.460 0.027 0.000 0.978 240 Y HN 0.204 nan 8.280 nan 0.000 0.513 241 Q N -0.756 119.136 119.800 0.153 0.000 2.369 241 Q HA -0.123 4.215 4.340 -0.004 0.000 0.206 241 Q C 2.303 178.336 176.000 0.055 0.000 0.963 241 Q CA 0.767 56.625 55.803 0.092 0.000 0.894 241 Q CB -0.594 28.185 28.738 0.068 0.000 0.965 241 Q HN 0.564 nan 8.270 nan 0.000 0.475 242 C N 0.402 119.728 119.300 0.042 0.000 2.419 242 C HA -0.075 4.383 4.460 -0.004 0.000 0.281 242 C C 1.616 176.622 174.990 0.027 0.000 1.336 242 C CA -0.574 58.458 59.018 0.024 0.000 1.770 242 C CB -0.737 27.006 27.740 0.007 0.000 1.929 242 C HN 0.413 nan 8.230 nan 0.000 0.509 243 C N 2.013 121.338 119.300 0.043 0.000 2.703 243 C HA 0.129 4.586 4.460 -0.004 0.000 0.411 243 C C 0.537 175.544 174.990 0.028 0.000 1.290 243 C CA -0.212 58.825 59.018 0.033 0.000 2.054 243 C CB -0.368 27.397 27.740 0.041 0.000 2.732 243 C HN 0.523 nan 8.230 nan 0.000 0.650 244 D N 2.181 122.591 120.400 0.018 0.000 2.374 244 D HA 0.427 5.065 4.640 -0.004 0.000 0.240 244 D C -0.413 175.900 176.300 0.020 0.000 1.229 244 D CA 0.279 54.289 54.000 0.017 0.000 0.895 244 D CB -0.103 40.703 40.800 0.010 0.000 1.046 244 D HN 0.399 nan 8.370 nan 0.000 0.498 245 L N 1.833 123.073 121.223 0.029 0.000 2.303 245 L HA 0.729 5.066 4.340 -0.004 0.000 0.266 245 L C 0.510 177.402 176.870 0.038 0.000 1.011 245 L CA -1.654 53.207 54.840 0.035 0.000 0.818 245 L CB 1.583 43.670 42.059 0.047 0.000 1.326 245 L HN 0.300 nan 8.230 nan 0.000 0.435 246 A N 1.012 123.860 122.820 0.046 0.000 2.425 246 A HA 0.383 4.701 4.320 -0.004 0.000 0.249 246 A C -1.790 175.830 177.584 0.061 0.000 1.084 246 A CA -1.060 51.009 52.037 0.052 0.000 0.781 246 A CB 0.035 19.073 19.000 0.062 0.000 1.019 246 A HN 0.600 nan 8.150 nan 0.000 0.490 247 P HA -0.224 nan 4.420 nan 0.000 0.217 247 P C 1.106 178.438 177.300 0.053 0.000 1.158 247 P CA 1.869 64.995 63.100 0.043 0.000 0.887 247 P CB 0.182 31.903 31.700 0.036 0.000 0.792 248 E N -1.116 119.140 120.200 0.092 0.000 2.150 248 E HA -0.121 4.227 4.350 -0.004 0.000 0.193 248 E C 2.062 178.756 176.600 0.158 0.000 0.985 248 E CA 0.976 57.453 56.400 0.128 0.000 0.814 248 E CB -0.409 29.458 29.700 0.279 0.000 0.752 248 E HN 0.155 nan 8.360 nan 0.000 0.466 249 A N 1.463 124.396 122.820 0.190 0.000 1.898 249 A HA -0.184 4.133 4.320 -0.004 0.000 0.216 249 A C 2.031 179.672 177.584 0.095 0.000 1.181 249 A CA 1.126 53.277 52.037 0.191 0.000 0.620 249 A CB -0.340 18.747 19.000 0.145 0.000 0.819 249 A HN 0.084 nan 8.150 nan 0.000 0.442 250 R N -0.981 119.558 120.500 0.066 0.000 2.096 250 R HA -0.224 4.113 4.340 -0.004 0.000 0.240 250 R C 2.515 178.823 176.300 0.013 0.000 1.139 250 R CA 1.863 57.990 56.100 0.046 0.000 0.952 250 R CB -0.357 29.965 30.300 0.037 0.000 0.854 250 R HN 0.672 nan 8.270 nan 0.000 0.436 251 Q N 0.645 120.431 119.800 -0.022 0.000 2.050 251 Q HA -0.109 4.229 4.340 -0.004 0.000 0.202 251 Q C 1.952 177.871 176.000 -0.135 0.000 0.980 251 Q CA 2.065 57.821 55.803 -0.078 0.000 0.840 251 Q CB -0.227 28.447 28.738 -0.107 0.000 0.898 251 Q HN 0.355 nan 8.270 nan 0.000 0.424 252 A N -0.016 122.690 122.820 -0.190 0.000 1.930 252 A HA -0.098 4.220 4.320 -0.004 0.000 0.217 252 A C 2.115 179.639 177.584 -0.101 0.000 1.175 252 A CA 1.334 53.205 52.037 -0.276 0.000 0.627 252 A CB -0.646 18.086 19.000 -0.446 0.000 0.815 252 A HN 0.488 nan 8.150 nan 0.000 0.443 253 I N -0.401 120.168 120.570 -0.000 0.000 2.202 253 I HA -0.257 3.911 4.170 -0.004 0.000 0.242 253 I C 2.541 178.697 176.117 0.066 0.000 1.091 253 I CA 1.817 63.161 61.300 0.074 0.000 1.368 253 I CB -0.215 37.855 38.000 0.117 0.000 1.058 253 I HN 0.409 nan 8.210 nan 0.000 0.410 254 K N 0.543 120.961 120.400 0.030 0.000 2.032 254 K HA -0.235 4.083 4.320 -0.004 0.000 0.209 254 K C 2.333 178.912 176.600 -0.034 0.000 1.048 254 K CA 2.044 58.340 56.287 0.015 0.000 0.927 254 K CB -0.155 32.344 32.500 -0.000 0.000 0.712 254 K HN 0.137 nan 8.250 nan 0.000 0.441 255 S N 0.534 116.184 115.700 -0.084 0.000 2.355 255 S HA -0.055 4.413 4.470 -0.004 0.000 0.222 255 S C 1.997 176.500 174.600 -0.160 0.000 1.031 255 S CA 0.949 59.077 58.200 -0.120 0.000 0.993 255 S CB -0.248 62.855 63.200 -0.162 0.000 0.859 255 S HN 0.369 nan 8.310 nan 0.000 0.453 256 L N 0.867 121.960 121.223 -0.216 0.000 2.079 256 L HA -0.113 4.225 4.340 -0.004 0.000 0.210 256 L C 2.776 179.329 176.870 -0.529 0.000 1.081 256 L CA 1.594 56.172 54.840 -0.436 0.000 0.752 256 L CB -0.997 40.738 42.059 -0.540 0.000 0.896 256 L HN 0.329 nan 8.230 nan 0.000 0.433 257 T N -1.044 113.390 114.554 -0.200 0.000 2.708 257 T HA -0.163 4.185 4.350 -0.004 0.000 0.266 257 T C 1.814 176.509 174.700 -0.008 0.000 1.037 257 T CA 1.228 63.348 62.100 0.035 0.000 1.146 257 T CB -0.091 68.874 68.868 0.161 0.000 0.865 257 T HN 0.290 nan 8.240 nan 0.000 0.435 258 E N 0.904 121.080 120.200 -0.039 0.000 2.107 258 E HA 0.015 4.363 4.350 -0.004 0.000 0.191 258 E C 2.346 178.923 176.600 -0.038 0.000 0.982 258 E CA 0.870 57.255 56.400 -0.025 0.000 0.809 258 E CB -0.071 29.612 29.700 -0.028 0.000 0.756 258 E HN 0.440 nan 8.360 nan 0.000 0.459 259 R N -0.591 119.859 120.500 -0.084 0.000 2.237 259 R HA 0.117 4.455 4.340 -0.004 0.000 0.195 259 R C 1.708 177.951 176.300 -0.095 0.000 0.956 259 R CA 0.242 56.295 56.100 -0.078 0.000 1.029 259 R CB 0.386 30.631 30.300 -0.091 0.000 0.972 259 R HN 0.036 nan 8.270 nan 0.000 0.493 260 L N -2.430 118.706 121.223 -0.145 0.000 2.678 260 L HA 0.182 4.520 4.340 -0.004 0.000 0.187 260 L C 1.139 178.013 176.870 0.007 0.000 1.073 260 L CA 0.650 55.413 54.840 -0.128 0.000 0.883 260 L CB -0.259 41.657 42.059 -0.238 0.000 1.501 260 L HN -0.149 nan 8.230 nan 0.000 0.488 261 Y N 1.666 121.979 120.300 0.021 0.000 2.200 261 Y HA -0.048 4.499 4.550 -0.004 0.000 0.290 261 Y C 2.548 178.454 175.900 0.010 0.000 1.137 261 Y CA 1.510 59.630 58.100 0.034 0.000 1.163 261 Y CB -1.172 37.331 38.460 0.072 0.000 0.988 261 Y HN 0.379 nan 8.280 nan 0.000 0.518 262 I N -2.517 118.139 120.570 0.144 0.000 2.493 262 I HA 0.250 4.418 4.170 -0.004 0.000 0.254 262 I C 1.151 177.277 176.117 0.015 0.000 1.160 262 I CA 1.220 62.562 61.300 0.070 0.000 1.445 262 I CB -0.481 37.551 38.000 0.053 0.000 1.086 262 I HN 0.137 nan 8.210 nan 0.000 0.433 263 G N -0.533 108.256 108.800 -0.018 0.000 2.343 263 G HA2 0.476 4.433 3.960 -0.004 0.000 0.289 263 G HA3 0.476 4.433 3.960 -0.004 0.000 0.289 263 G C -0.744 174.008 174.900 -0.246 0.000 1.295 263 G CA -0.249 44.775 45.100 -0.127 0.000 0.869 263 G HN 0.857 nan 8.290 nan 0.000 0.522 264 G N -1.121 107.276 108.800 -0.672 0.000 2.356 264 G HA2 0.641 4.598 3.960 -0.004 0.000 0.300 264 G HA3 0.641 4.598 3.960 -0.004 0.000 0.300 264 G C -3.465 170.758 174.900 -1.129 0.000 1.331 264 G CA 0.208 44.806 45.100 -0.838 0.000 0.905 264 G HN 0.896 nan 8.290 nan 0.000 0.587 265 P HA 0.504 nan 4.420 nan 0.000 0.275 265 P C -0.566 176.617 177.300 -0.195 0.000 1.228 265 P CA -0.181 62.740 63.100 -0.297 0.000 0.786 265 P CB 1.189 32.861 31.700 -0.046 0.000 0.927 266 L N 2.131 123.291 121.223 -0.105 0.000 2.313 266 L HA 0.459 4.797 4.340 -0.004 0.000 0.283 266 L C 0.376 177.244 176.870 -0.003 0.000 1.013 266 L CA -0.210 54.603 54.840 -0.045 0.000 0.816 266 L CB 1.744 43.815 42.059 0.019 0.000 1.236 266 L HN 0.272 nan 8.230 nan 0.000 0.419 267 T N 1.504 116.037 114.554 -0.035 0.000 2.824 267 T HA 0.315 4.663 4.350 -0.004 0.000 0.282 267 T C -0.159 174.520 174.700 -0.034 0.000 0.993 267 T CA -0.838 61.247 62.100 -0.026 0.000 0.967 267 T CB 1.407 70.245 68.868 -0.050 0.000 0.960 267 T HN 0.648 nan 8.240 nan 0.000 0.441 268 N N 0.998 119.698 118.700 -0.001 0.000 2.327 268 N HA 0.082 4.820 4.740 -0.004 0.000 0.257 268 N C 1.452 176.953 175.510 -0.014 0.000 1.281 268 N CA -0.178 52.872 53.050 0.000 0.000 0.942 268 N CB 0.118 38.618 38.487 0.021 0.000 1.199 268 N HN 0.452 nan 8.380 nan 0.000 0.532 269 S N -1.661 114.041 115.700 0.002 0.000 2.474 269 S HA -0.029 4.439 4.470 -0.004 0.000 0.235 269 S C 1.016 175.617 174.600 0.001 0.000 0.997 269 S CA 0.445 58.649 58.200 0.007 0.000 0.949 269 S CB -0.269 62.950 63.200 0.031 0.000 0.766 269 S HN 0.510 nan 8.310 nan 0.000 0.517 270 K N 0.609 121.010 120.400 0.002 0.000 2.404 270 K HA 0.249 4.567 4.320 -0.004 0.000 0.194 270 K C 1.405 178.001 176.600 -0.005 0.000 1.023 270 K CA 0.637 56.925 56.287 0.001 0.000 1.094 270 K CB 0.044 32.548 32.500 0.007 0.000 0.841 270 K HN 0.597 nan 8.250 nan 0.000 0.523 271 G N 2.253 111.046 108.800 -0.012 0.000 2.175 271 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.244 271 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.244 271 G C 0.111 175.009 174.900 -0.004 0.000 0.982 271 G CA 0.453 45.543 45.100 -0.017 0.000 0.641 271 G HN 0.461 nan 8.290 nan 0.000 0.527 272 Q N 0.008 119.812 119.800 0.007 0.000 2.199 272 Q HA 0.408 4.745 4.340 -0.004 0.000 0.232 272 Q C -0.159 175.859 176.000 0.029 0.000 0.969 272 Q CA -0.769 55.045 55.803 0.019 0.000 0.925 272 Q CB 0.969 29.721 28.738 0.024 0.000 1.198 272 Q HN 0.291 nan 8.270 nan 0.000 0.494 273 N N 0.495 119.220 118.700 0.041 0.000 2.406 273 N HA 0.091 4.829 4.740 -0.004 0.000 0.251 273 N C -0.078 175.486 175.510 0.091 0.000 1.069 273 N CA -0.472 52.612 53.050 0.057 0.000 0.947 273 N CB 0.640 39.162 38.487 0.058 0.000 1.111 273 N HN 0.580 nan 8.380 nan 0.000 0.497 274 C N 2.948 122.318 119.300 0.117 0.000 2.464 274 C HA 0.288 4.746 4.460 -0.004 0.000 0.278 274 C C 1.372 176.537 174.990 0.291 0.000 1.375 274 C CA 0.661 59.807 59.018 0.214 0.000 1.761 274 C CB -1.199 26.697 27.740 0.259 0.000 1.944 274 C HN 0.954 nan 8.230 nan 0.000 0.509 275 G N -2.033 106.858 108.800 0.152 0.000 2.403 275 G HA2 0.284 4.242 3.960 -0.004 0.000 0.223 275 G HA3 0.284 4.242 3.960 -0.004 0.000 0.223 275 G C -2.052 172.860 174.900 0.021 0.000 1.287 275 G CA -0.410 44.727 45.100 0.062 0.000 0.982 275 G HN 0.054 nan 8.290 nan 0.000 0.471 276 Y N 0.646 120.805 120.300 -0.234 0.000 2.470 276 Y HA 0.750 5.298 4.550 -0.004 0.000 0.341 276 Y C -0.025 175.716 175.900 -0.265 0.000 1.021 276 Y CA -0.841 57.145 58.100 -0.190 0.000 1.025 276 Y CB 2.034 40.403 38.460 -0.152 0.000 1.266 276 Y HN 0.700 nan 8.280 nan 0.000 0.448 277 R N 4.603 124.856 120.500 -0.411 0.000 2.460 277 R HA 0.564 4.902 4.340 -0.004 0.000 0.303 277 R C -0.697 175.420 176.300 -0.306 0.000 0.968 277 R CA -0.594 55.238 56.100 -0.446 0.000 0.889 277 R CB 0.983 31.074 30.300 -0.349 0.000 1.123 277 R HN 0.911 nan 8.270 nan 0.000 0.455 278 R N 3.064 123.358 120.500 -0.344 0.000 2.659 278 R HA 0.213 4.551 4.340 -0.004 0.000 0.418 278 R C -0.559 175.607 176.300 -0.223 0.000 1.076 278 R CA -0.306 55.686 56.100 -0.180 0.000 1.093 278 R CB 0.464 30.700 30.300 -0.107 0.000 1.400 278 R HN 0.776 nan 8.270 nan 0.000 0.583 279 C N -1.824 117.296 119.300 -0.300 0.000 3.308 279 C HA 0.619 5.077 4.460 -0.004 0.000 0.360 279 C C -0.187 174.740 174.990 -0.105 0.000 1.695 279 C CA -1.516 57.376 59.018 -0.210 0.000 1.366 279 C CB 1.169 28.732 27.740 -0.295 0.000 2.121 279 C HN 0.341 nan 8.230 nan 0.000 0.442 280 R N 1.236 121.725 120.500 -0.018 0.000 2.522 280 R HA 0.475 4.813 4.340 -0.004 0.000 0.284 280 R C 0.102 176.452 176.300 0.083 0.000 1.032 280 R CA 0.932 57.069 56.100 0.061 0.000 1.049 280 R CB -0.134 30.245 30.300 0.132 0.000 0.956 280 R HN 1.169 nan 8.270 nan 0.000 0.422 281 A N 3.613 126.492 122.820 0.098 0.000 2.409 281 A HA 0.220 4.538 4.320 -0.004 0.000 0.262 281 A C 0.931 178.604 177.584 0.149 0.000 1.113 281 A CA 0.080 52.196 52.037 0.132 0.000 0.790 281 A CB 0.424 19.511 19.000 0.144 0.000 1.046 281 A HN 1.012 nan 8.150 nan 0.000 0.496 282 S N 1.984 117.789 115.700 0.175 0.000 2.489 282 S HA 0.071 4.539 4.470 -0.004 0.000 0.228 282 S C 1.131 175.819 174.600 0.147 0.000 0.995 282 S CA 0.725 59.023 58.200 0.164 0.000 0.934 282 S CB 0.103 63.409 63.200 0.177 0.000 0.771 282 S HN 1.213 nan 8.310 nan 0.000 0.522 283 G N 1.948 110.857 108.800 0.182 0.000 4.222 283 G HA2 0.505 4.463 3.960 -0.004 0.000 0.301 283 G HA3 0.505 4.463 3.960 -0.004 0.000 0.301 283 G C 0.039 175.049 174.900 0.184 0.000 1.171 283 G CA -0.111 45.101 45.100 0.186 0.000 0.937 283 G HN 0.494 nan 8.290 nan 0.000 0.557 284 V N -2.524 117.478 119.914 0.146 0.000 3.093 284 V HA 0.574 4.692 4.120 -0.004 0.000 0.320 284 V C 1.528 177.662 176.094 0.066 0.000 1.093 284 V CA -0.905 61.489 62.300 0.156 0.000 1.016 284 V CB 1.674 33.634 31.823 0.229 0.000 1.096 284 V HN 0.041 nan 8.190 nan 0.000 0.452 285 L N 2.287 123.558 121.223 0.081 0.000 2.083 285 L HA -0.053 4.285 4.340 -0.004 0.000 0.209 285 L C 2.326 179.152 176.870 -0.074 0.000 1.083 285 L CA 2.970 57.821 54.840 0.020 0.000 0.752 285 L CB -0.766 41.334 42.059 0.067 0.000 0.899 285 L HN 1.081 nan 8.230 nan 0.000 0.433 286 T N -5.780 108.667 114.554 -0.178 0.000 3.129 286 T HA 0.001 4.349 4.350 -0.004 0.000 0.251 286 T C 1.579 176.205 174.700 -0.124 0.000 1.117 286 T CA 0.719 62.687 62.100 -0.220 0.000 1.034 286 T CB -0.696 67.893 68.868 -0.465 0.000 0.968 286 T HN 0.259 nan 8.240 nan 0.000 0.526 287 T N 2.066 116.572 114.554 -0.079 0.000 2.652 287 T HA -0.169 4.179 4.350 -0.004 0.000 0.267 287 T C 2.221 176.935 174.700 0.023 0.000 1.039 287 T CA 1.859 63.958 62.100 -0.002 0.000 1.153 287 T CB -0.648 68.238 68.868 0.031 0.000 0.863 287 T HN 0.556 nan 8.240 nan 0.000 0.428 288 S N -0.306 115.382 115.700 -0.020 0.000 2.345 288 S HA -0.141 4.327 4.470 -0.004 0.000 0.220 288 S C 2.454 177.088 174.600 0.057 0.000 1.031 288 S CA 1.405 59.593 58.200 -0.020 0.000 0.996 288 S CB -0.972 62.095 63.200 -0.222 0.000 0.882 288 S HN 0.659 nan 8.310 nan 0.000 0.445 289 C N 1.301 120.613 119.300 0.020 0.000 2.432 289 C HA 0.085 4.543 4.460 -0.004 0.000 0.277 289 C C 2.825 177.887 174.990 0.119 0.000 1.249 289 C CA 1.144 60.207 59.018 0.075 0.000 1.725 289 C CB -1.816 25.937 27.740 0.022 0.000 2.028 289 C HN 0.729 nan 8.230 nan 0.000 0.477 290 G N 0.412 109.279 108.800 0.111 0.000 2.421 290 G HA2 -0.212 3.746 3.960 -0.004 0.000 0.216 290 G HA3 -0.212 3.746 3.960 -0.004 0.000 0.216 290 G C 1.499 176.494 174.900 0.159 0.000 1.171 290 G CA 1.074 46.246 45.100 0.120 0.000 0.775 290 G HN 0.581 nan 8.290 nan 0.000 0.543 291 N N 0.450 119.249 118.700 0.165 0.000 2.104 291 N HA -0.083 4.655 4.740 -0.004 0.000 0.190 291 N C 2.390 177.955 175.510 0.092 0.000 1.024 291 N CA 1.623 54.772 53.050 0.165 0.000 0.853 291 N CB -0.761 37.731 38.487 0.009 0.000 1.008 291 N HN 0.255 nan 8.380 nan 0.000 0.424 292 T N 1.681 116.316 114.554 0.136 0.000 2.674 292 T HA -0.026 4.321 4.350 -0.004 0.000 0.265 292 T C 2.131 176.939 174.700 0.180 0.000 1.039 292 T CA 0.767 62.972 62.100 0.176 0.000 1.150 292 T CB -0.376 68.677 68.868 0.308 0.000 0.864 292 T HN 0.127 nan 8.240 nan 0.000 0.427 293 L N 0.609 121.917 121.223 0.142 0.000 2.042 293 L HA -0.142 4.196 4.340 -0.004 0.000 0.210 293 L C 2.941 179.921 176.870 0.183 0.000 1.076 293 L CA 1.315 56.225 54.840 0.116 0.000 0.749 293 L CB -1.020 41.059 42.059 0.034 0.000 0.893 293 L HN 0.296 nan 8.230 nan 0.000 0.432 294 T N -1.519 113.161 114.554 0.209 0.000 2.777 294 T HA -0.212 4.136 4.350 -0.004 0.000 0.266 294 T C 2.012 176.925 174.700 0.355 0.000 1.040 294 T CA 1.369 63.629 62.100 0.266 0.000 1.141 294 T CB -0.413 68.646 68.868 0.318 0.000 0.868 294 T HN 0.447 nan 8.240 nan 0.000 0.444 295 C N 0.690 120.238 119.300 0.413 0.000 2.432 295 C HA -0.089 4.368 4.460 -0.004 0.000 0.277 295 C C 2.397 177.551 174.990 0.274 0.000 1.249 295 C CA 0.536 59.782 59.018 0.379 0.000 1.725 295 C CB -1.369 26.464 27.740 0.155 0.000 2.028 295 C HN 0.658 nan 8.230 nan 0.000 0.477 296 Y N 1.032 121.405 120.300 0.123 0.000 2.181 296 Y HA -0.119 4.429 4.550 -0.004 0.000 0.288 296 Y C 2.150 178.079 175.900 0.048 0.000 1.146 296 Y CA 2.107 60.256 58.100 0.082 0.000 1.164 296 Y CB -0.577 37.917 38.460 0.057 0.000 0.982 296 Y HN 0.341 nan 8.280 nan 0.000 0.515 297 L N 0.980 122.254 121.223 0.085 0.000 1.994 297 L HA -0.160 4.178 4.340 -0.004 0.000 0.208 297 L C 2.122 178.904 176.870 -0.146 0.000 1.071 297 L CA 1.991 56.767 54.840 -0.107 0.000 0.745 297 L CB -0.905 41.078 42.059 -0.127 0.000 0.892 297 L HN 0.126 nan 8.230 nan 0.000 0.431 298 K N -0.427 119.983 120.400 0.017 0.000 2.057 298 K HA -0.065 4.253 4.320 -0.004 0.000 0.207 298 K C 2.095 178.745 176.600 0.083 0.000 1.049 298 K CA 1.342 57.682 56.287 0.089 0.000 0.931 298 K CB -0.411 32.228 32.500 0.232 0.000 0.714 298 K HN 0.500 nan 8.250 nan 0.000 0.440 299 A N 0.986 123.838 122.820 0.053 0.000 1.898 299 A HA -0.134 4.184 4.320 -0.004 0.000 0.216 299 A C 2.199 179.812 177.584 0.048 0.000 1.181 299 A CA 1.760 53.845 52.037 0.081 0.000 0.620 299 A CB -0.484 18.628 19.000 0.186 0.000 0.819 299 A HN 0.166 nan 8.150 nan 0.000 0.442 300 S N 0.001 115.613 115.700 -0.147 0.000 2.368 300 S HA -0.036 4.432 4.470 -0.004 0.000 0.225 300 S C 2.306 176.853 174.600 -0.089 0.000 1.030 300 S CA 1.163 59.242 58.200 -0.202 0.000 0.999 300 S CB -0.461 62.467 63.200 -0.454 0.000 0.844 300 S HN 0.789 nan 8.310 nan 0.000 0.459 301 A N 1.586 124.369 122.820 -0.062 0.000 1.902 301 A HA 0.116 4.434 4.320 -0.004 0.000 0.217 301 A C 2.345 180.004 177.584 0.125 0.000 1.181 301 A CA 1.685 53.750 52.037 0.047 0.000 0.623 301 A CB -1.044 17.973 19.000 0.028 0.000 0.818 301 A HN 0.517 nan 8.150 nan 0.000 0.443 302 A N -1.208 121.686 122.820 0.123 0.000 1.969 302 A HA -0.116 4.202 4.320 -0.004 0.000 0.218 302 A C 2.252 179.868 177.584 0.054 0.000 1.169 302 A CA 1.517 53.486 52.037 -0.114 0.000 0.635 302 A CB -1.178 17.353 19.000 -0.781 0.000 0.810 302 A HN 0.587 nan 8.150 nan 0.000 0.445 303 C N -0.725 118.702 119.300 0.212 0.000 2.429 303 C HA -0.098 4.359 4.460 -0.004 0.000 0.277 303 C C 2.896 177.911 174.990 0.042 0.000 1.262 303 C CA 1.167 60.330 59.018 0.241 0.000 1.733 303 C CB -1.252 26.585 27.740 0.162 0.000 2.010 303 C HN 0.617 nan 8.230 nan 0.000 0.483 304 R N 1.102 121.533 120.500 -0.114 0.000 2.075 304 R HA -0.064 4.274 4.340 -0.004 0.000 0.232 304 R C 2.424 178.486 176.300 -0.397 0.000 1.126 304 R CA 1.498 57.389 56.100 -0.348 0.000 0.963 304 R CB -0.581 29.323 30.300 -0.660 0.000 0.858 304 R HN 0.527 nan 8.270 nan 0.000 0.435 305 A N 1.533 124.198 122.820 -0.257 0.000 1.908 305 A HA -0.133 4.185 4.320 -0.004 0.000 0.218 305 A C 2.266 179.872 177.584 0.037 0.000 1.181 305 A CA 1.871 53.924 52.037 0.026 0.000 0.627 305 A CB -0.526 18.526 19.000 0.085 0.000 0.818 305 A HN 0.405 nan 8.150 nan 0.000 0.445 306 A N -1.650 121.198 122.820 0.047 0.000 2.218 306 A HA 0.296 4.613 4.320 -0.004 0.000 0.209 306 A C 1.000 178.618 177.584 0.056 0.000 1.168 306 A CA 0.811 52.896 52.037 0.079 0.000 0.804 306 A CB -0.373 18.730 19.000 0.172 0.000 0.834 306 A HN 0.500 nan 8.150 nan 0.000 0.482 307 K N -0.846 119.571 120.400 0.028 0.000 3.035 307 K HA -0.159 4.158 4.320 -0.004 0.000 0.262 307 K C -0.653 175.964 176.600 0.028 0.000 1.024 307 K CA 0.424 56.723 56.287 0.019 0.000 0.748 307 K CB -1.943 30.573 32.500 0.026 0.000 1.247 307 K HN 0.559 nan 8.250 nan 0.000 0.482 308 L N 0.972 122.222 121.223 0.046 0.000 2.456 308 L HA 0.069 4.407 4.340 -0.004 0.000 0.272 308 L C 0.971 177.855 176.870 0.023 0.000 1.189 308 L CA 0.127 54.995 54.840 0.047 0.000 0.846 308 L CB 0.629 42.737 42.059 0.082 0.000 1.111 308 L HN 0.271 nan 8.230 nan 0.000 0.475 309 Q N 2.878 122.685 119.800 0.012 0.000 2.278 309 Q HA 0.072 4.410 4.340 -0.004 0.000 0.257 309 Q C -0.442 175.550 176.000 -0.014 0.000 0.928 309 Q CA -0.552 55.250 55.803 -0.002 0.000 0.932 309 Q CB 0.967 29.701 28.738 -0.006 0.000 1.221 309 Q HN 0.589 nan 8.270 nan 0.000 0.434 310 D N 2.224 122.616 120.400 -0.014 0.000 2.697 310 D HA -0.176 4.461 4.640 -0.004 0.000 0.238 310 D C -1.314 174.970 176.300 -0.027 0.000 1.152 310 D CA 0.305 54.291 54.000 -0.023 0.000 0.666 310 D CB -1.252 39.525 40.800 -0.037 0.000 1.037 310 D HN 0.526 nan 8.370 nan 0.000 0.423 311 C N 0.776 120.069 119.300 -0.012 0.000 2.637 311 C HA 0.491 4.949 4.460 -0.004 0.000 0.418 311 C C 0.915 175.903 174.990 -0.003 0.000 1.319 311 C CA 0.040 59.049 59.018 -0.014 0.000 1.949 311 C CB 0.454 28.196 27.740 0.003 0.000 2.639 311 C HN 0.470 nan 8.230 nan 0.000 0.594 312 T N 5.811 120.357 114.554 -0.014 0.000 2.841 312 T HA 0.491 4.839 4.350 -0.004 0.000 0.285 312 T C -0.425 174.305 174.700 0.050 0.000 0.991 312 T CA -0.291 61.831 62.100 0.037 0.000 0.966 312 T CB 0.974 69.831 68.868 -0.019 0.000 0.962 312 T HN 0.536 nan 8.240 nan 0.000 0.438 313 M N 3.146 122.827 119.600 0.135 0.000 2.508 313 M HA 0.627 5.104 4.480 -0.004 0.000 0.327 313 M C -1.296 175.144 176.300 0.233 0.000 1.160 313 M CA -1.140 54.234 55.300 0.124 0.000 0.980 313 M CB 2.047 34.717 32.600 0.116 0.000 1.693 313 M HN 0.318 nan 8.290 nan 0.000 0.452 314 L N 2.983 124.305 121.223 0.164 0.000 2.376 314 L HA 0.689 5.027 4.340 -0.004 0.000 0.275 314 L C -1.467 175.429 176.870 0.044 0.000 0.987 314 L CA -0.531 54.392 54.840 0.137 0.000 0.828 314 L CB 1.872 44.040 42.059 0.182 0.000 1.249 314 L HN 0.487 nan 8.230 nan 0.000 0.409 315 V N 4.455 124.372 119.914 0.004 0.000 2.531 315 V HA 0.568 4.686 4.120 -0.004 0.000 0.301 315 V C -0.779 175.189 176.094 -0.211 0.000 1.034 315 V CA -0.619 61.670 62.300 -0.018 0.000 0.865 315 V CB 1.959 33.858 31.823 0.127 0.000 0.995 315 V HN 0.797 nan 8.190 nan 0.000 0.424 316 N N 3.632 122.161 118.700 -0.285 0.000 2.664 316 N HA 0.612 5.350 4.740 -0.004 0.000 0.257 316 N C 0.542 175.955 175.510 -0.161 0.000 1.108 316 N CA 0.573 53.244 53.050 -0.633 0.000 0.822 316 N CB 1.720 39.760 38.487 -0.744 0.000 1.199 316 N HN 1.069 nan 8.380 nan 0.000 0.529 317 G N 2.358 111.237 108.800 0.132 0.000 2.591 317 G HA2 -0.406 3.552 3.960 -0.004 0.000 0.298 317 G HA3 -0.406 3.552 3.960 -0.004 0.000 0.298 317 G C 0.589 175.366 174.900 -0.206 0.000 1.195 317 G CA 0.734 45.889 45.100 0.091 0.000 0.989 317 G HN 0.613 nan 8.290 nan 0.000 0.551 318 D N 1.270 121.458 120.400 -0.352 0.000 2.363 318 D HA 0.090 4.728 4.640 -0.004 0.000 0.226 318 D C 0.475 176.647 176.300 -0.214 0.000 1.020 318 D CA 1.056 54.662 54.000 -0.657 0.000 0.892 318 D CB -0.090 40.366 40.800 -0.573 0.000 0.900 318 D HN 0.419 nan 8.370 nan 0.000 0.531 319 D N 0.396 120.733 120.400 -0.105 0.000 2.274 319 D HA 0.338 4.976 4.640 -0.004 0.000 0.239 319 D C -1.099 175.199 176.300 -0.003 0.000 1.104 319 D CA -0.650 53.335 54.000 -0.025 0.000 0.840 319 D CB 1.241 42.017 40.800 -0.038 0.000 1.100 319 D HN 0.036 nan 8.370 nan 0.000 0.477 320 L N 4.641 125.904 121.223 0.066 0.000 2.410 320 L HA 0.498 4.836 4.340 -0.004 0.000 0.270 320 L C -1.757 175.130 176.870 0.027 0.000 0.983 320 L CA -0.593 54.297 54.840 0.084 0.000 0.822 320 L CB 1.972 44.156 42.059 0.208 0.000 1.285 320 L HN 0.131 nan 8.230 nan 0.000 0.409 321 V N 5.265 125.151 119.914 -0.047 0.000 2.656 321 V HA 0.682 4.800 4.120 -0.004 0.000 0.307 321 V C -0.774 175.165 176.094 -0.259 0.000 1.051 321 V CA -0.632 61.571 62.300 -0.162 0.000 0.893 321 V CB 2.302 34.068 31.823 -0.095 0.000 0.999 321 V HN 0.554 nan 8.190 nan 0.000 0.426 322 V N 5.845 125.407 119.914 -0.586 0.000 2.604 322 V HA 0.586 4.704 4.120 -0.004 0.000 0.305 322 V C -0.481 175.358 176.094 -0.425 0.000 1.043 322 V CA -0.478 61.484 62.300 -0.564 0.000 0.888 322 V CB 1.957 33.209 31.823 -0.951 0.000 0.995 322 V HN 0.681 nan 8.190 nan 0.000 0.429 323 I N 4.778 125.236 120.570 -0.188 0.000 2.465 323 I HA 0.692 4.860 4.170 -0.004 0.000 0.291 323 I C -0.071 175.987 176.117 -0.098 0.000 1.014 323 I CA -0.316 60.934 61.300 -0.083 0.000 1.093 323 I CB 1.721 39.728 38.000 0.011 0.000 1.267 323 I HN 0.890 nan 8.210 nan 0.000 0.431 324 C N 2.422 121.665 119.300 -0.096 0.000 3.336 324 C HA 0.580 5.038 4.460 -0.004 0.000 0.352 324 C C -0.587 174.335 174.990 -0.114 0.000 1.567 324 C CA -0.884 58.086 59.018 -0.080 0.000 1.328 324 C CB 1.851 29.578 27.740 -0.020 0.000 1.922 324 C HN 0.626 nan 8.230 nan 0.000 0.439 325 E N 1.856 122.007 120.200 -0.081 0.000 2.223 325 E HA 0.272 4.620 4.350 -0.004 0.000 0.282 325 E C 0.077 176.656 176.600 -0.035 0.000 1.046 325 E CA 0.496 56.848 56.400 -0.081 0.000 0.857 325 E CB 1.673 31.337 29.700 -0.060 0.000 1.055 325 E HN 0.719 nan 8.360 nan 0.000 0.409 326 S N 2.011 117.699 115.700 -0.020 0.000 2.549 326 S HA 0.171 4.639 4.470 -0.004 0.000 0.286 326 S C 0.712 175.327 174.600 0.026 0.000 1.314 326 S CA 0.153 58.386 58.200 0.054 0.000 1.062 326 S CB 0.566 63.845 63.200 0.131 0.000 0.865 326 S HN 0.529 nan 8.310 nan 0.000 0.498 327 A N 3.743 126.585 122.820 0.038 0.000 2.387 327 A HA 0.620 4.938 4.320 -0.004 0.000 0.234 327 A C 1.022 178.615 177.584 0.015 0.000 1.253 327 A CA 0.338 52.386 52.037 0.019 0.000 0.894 327 A CB -1.020 17.992 19.000 0.019 0.000 0.963 327 A HN 1.879 nan 8.150 nan 0.000 0.508 328 G N -2.072 106.741 108.800 0.021 0.000 2.570 328 G HA2 -0.024 3.934 3.960 -0.004 0.000 0.686 328 G HA3 -0.024 3.934 3.960 -0.004 0.000 0.686 328 G C 0.385 175.299 174.900 0.024 0.000 1.257 328 G CA -0.197 44.899 45.100 -0.006 0.000 0.846 328 G HN 0.295 nan 8.290 nan 0.000 0.627 329 T N 0.537 115.080 114.554 -0.019 0.000 2.652 329 T HA -0.142 4.205 4.350 -0.004 0.000 0.267 329 T C 2.403 177.136 174.700 0.055 0.000 1.039 329 T CA 2.174 64.287 62.100 0.023 0.000 1.153 329 T CB -0.210 68.634 68.868 -0.039 0.000 0.863 329 T HN 0.501 nan 8.240 nan 0.000 0.428 330 Q N 0.618 120.432 119.800 0.023 0.000 2.172 330 Q HA 0.001 4.339 4.340 -0.004 0.000 0.200 330 Q C 2.305 178.317 176.000 0.022 0.000 0.964 330 Q CA 1.092 56.908 55.803 0.021 0.000 0.855 330 Q CB -0.299 28.445 28.738 0.009 0.000 0.918 330 Q HN 0.582 nan 8.270 nan 0.000 0.444 331 E N 0.832 121.045 120.200 0.022 0.000 2.051 331 E HA -0.160 4.188 4.350 -0.004 0.000 0.192 331 E C 1.623 178.239 176.600 0.027 0.000 0.991 331 E CA 1.325 57.738 56.400 0.021 0.000 0.799 331 E CB -0.078 29.633 29.700 0.019 0.000 0.748 331 E HN 0.280 nan 8.360 nan 0.000 0.449 332 D N 0.082 120.512 120.400 0.050 0.000 2.117 332 D HA -0.123 4.515 4.640 -0.004 0.000 0.197 332 D C 1.865 178.166 176.300 0.003 0.000 0.987 332 D CA 1.455 55.484 54.000 0.047 0.000 0.829 332 D CB -0.409 40.470 40.800 0.132 0.000 0.961 332 D HN 0.206 nan 8.370 nan 0.000 0.460 333 A N 1.033 123.866 122.820 0.022 0.000 1.908 333 A HA -0.085 4.233 4.320 -0.004 0.000 0.218 333 A C 2.311 179.884 177.584 -0.018 0.000 1.181 333 A CA 2.391 54.426 52.037 -0.003 0.000 0.627 333 A CB -0.743 18.267 19.000 0.017 0.000 0.818 333 A HN 0.246 nan 8.150 nan 0.000 0.445 334 A N 0.216 123.033 122.820 -0.004 0.000 1.898 334 A HA -0.069 4.249 4.320 -0.004 0.000 0.216 334 A C 2.528 180.110 177.584 -0.004 0.000 1.181 334 A CA 2.316 54.352 52.037 -0.003 0.000 0.620 334 A CB -0.995 18.008 19.000 0.004 0.000 0.819 334 A HN 1.018 nan 8.150 nan 0.000 0.442 335 S N -0.544 115.152 115.700 -0.005 0.000 2.402 335 S HA -0.108 4.360 4.470 -0.004 0.000 0.229 335 S C 1.790 176.383 174.600 -0.012 0.000 1.021 335 S CA 1.404 59.606 58.200 0.005 0.000 0.974 335 S CB -0.486 62.722 63.200 0.012 0.000 0.800 335 S HN 0.301 nan 8.310 nan 0.000 0.484 336 L N 1.920 123.084 121.223 -0.099 0.000 2.141 336 L HA 0.191 4.529 4.340 -0.004 0.000 0.209 336 L C 2.591 179.436 176.870 -0.041 0.000 1.094 336 L CA 1.367 56.081 54.840 -0.209 0.000 0.763 336 L CB -0.851 40.973 42.059 -0.392 0.000 0.908 336 L HN 0.254 nan 8.230 nan 0.000 0.437 337 R N -1.609 118.880 120.500 -0.019 0.000 2.092 337 R HA -0.082 4.256 4.340 -0.004 0.000 0.231 337 R C 2.085 178.399 176.300 0.024 0.000 1.119 337 R CA 1.387 57.493 56.100 0.011 0.000 0.970 337 R CB -0.372 29.927 30.300 -0.001 0.000 0.864 337 R HN 0.266 nan 8.270 nan 0.000 0.440 338 V N 0.577 120.506 119.914 0.026 0.000 2.453 338 V HA -0.208 3.910 4.120 -0.004 0.000 0.247 338 V C 1.862 177.967 176.094 0.018 0.000 1.048 338 V CA 1.440 63.750 62.300 0.016 0.000 1.049 338 V CB -0.525 31.311 31.823 0.022 0.000 0.672 338 V HN 0.209 nan 8.190 nan 0.000 0.457 339 F N 1.586 121.486 119.950 -0.083 0.000 2.095 339 F HA -0.244 4.281 4.527 -0.004 0.000 0.298 339 F C 2.433 178.159 175.800 -0.123 0.000 1.104 339 F CA 2.372 60.315 58.000 -0.095 0.000 1.232 339 F CB -0.486 38.453 39.000 -0.101 0.000 0.987 339 F HN 0.102 nan 8.300 nan 0.000 0.475 340 T N 0.783 115.417 114.554 0.133 0.000 2.788 340 T HA -0.210 4.137 4.350 -0.004 0.000 0.268 340 T C 1.658 176.326 174.700 -0.054 0.000 1.044 340 T CA 1.682 63.848 62.100 0.109 0.000 1.139 340 T CB -0.454 68.552 68.868 0.230 0.000 0.867 340 T HN 0.584 nan 8.240 nan 0.000 0.454 341 E N 1.725 121.876 120.200 -0.082 0.000 2.106 341 E HA 0.014 4.362 4.350 -0.004 0.000 0.192 341 E C 2.497 178.944 176.600 -0.256 0.000 0.984 341 E CA 0.946 57.271 56.400 -0.124 0.000 0.806 341 E CB -0.365 29.282 29.700 -0.087 0.000 0.750 341 E HN 0.476 nan 8.360 nan 0.000 0.458 342 A N 2.096 124.699 122.820 -0.362 0.000 1.858 342 A HA -0.156 4.162 4.320 -0.004 0.000 0.216 342 A C 2.332 179.364 177.584 -0.921 0.000 1.190 342 A CA 1.611 53.249 52.037 -0.664 0.000 0.617 342 A CB -0.422 18.247 19.000 -0.551 0.000 0.827 342 A HN 0.127 nan 8.150 nan 0.000 0.443 343 M N -0.178 119.031 119.600 -0.652 0.000 2.106 343 M HA -0.135 4.342 4.480 -0.004 0.000 0.259 343 M C 2.194 178.380 176.300 -0.191 0.000 1.068 343 M CA 2.155 57.219 55.300 -0.394 0.000 1.100 343 M CB -2.040 30.286 32.600 -0.455 0.000 1.351 343 M HN 0.467 nan 8.290 nan 0.000 0.404 344 T N -0.019 114.435 114.554 -0.167 0.000 2.746 344 T HA -0.118 4.230 4.350 -0.004 0.000 0.267 344 T C 1.993 176.621 174.700 -0.119 0.000 1.039 344 T CA 1.127 63.176 62.100 -0.085 0.000 1.142 344 T CB -0.175 68.655 68.868 -0.062 0.000 0.866 344 T HN 0.376 nan 8.240 nan 0.000 0.444 345 R N 0.027 120.389 120.500 -0.230 0.000 2.096 345 R HA -0.064 4.274 4.340 -0.004 0.000 0.235 345 R C 1.734 177.990 176.300 -0.074 0.000 1.127 345 R CA 1.143 57.127 56.100 -0.194 0.000 0.968 345 R CB -0.289 29.839 30.300 -0.287 0.000 0.861 345 R HN 0.434 nan 8.270 nan 0.000 0.440 346 Y N 0.155 120.398 120.300 -0.095 0.000 2.553 346 Y HA 0.088 4.636 4.550 -0.004 0.000 0.303 346 Y C 0.864 176.713 175.900 -0.085 0.000 1.194 346 Y CA -0.384 57.648 58.100 -0.114 0.000 1.305 346 Y CB -0.369 38.050 38.460 -0.067 0.000 1.045 346 Y HN -0.054 nan 8.280 nan 0.000 0.514 347 S N -0.064 115.673 115.700 0.061 0.000 3.886 347 S HA -0.084 4.384 4.470 -0.004 0.000 0.398 347 S C -0.040 174.569 174.600 0.016 0.000 0.931 347 S CA 0.458 58.676 58.200 0.031 0.000 1.217 347 S CB -1.402 61.809 63.200 0.019 0.000 0.874 347 S HN 0.707 nan 8.310 nan 0.000 0.521 348 A N 2.092 124.942 122.820 0.050 0.000 3.409 348 A HA 0.576 4.894 4.320 -0.004 0.000 0.282 348 A C -2.409 175.294 177.584 0.199 0.000 1.064 348 A CA -0.753 51.344 52.037 0.101 0.000 0.889 348 A CB 0.955 20.058 19.000 0.171 0.000 1.251 348 A HN 0.414 nan 8.150 nan 0.000 0.538 349 P HA 0.385 nan 4.420 nan 0.000 0.274 349 P C -2.977 174.380 177.300 0.095 0.000 1.237 349 P CA -1.228 61.926 63.100 0.091 0.000 0.793 349 P CB 0.852 32.532 31.700 -0.034 0.000 0.977 350 P HA 0.142 nan 4.420 nan 0.000 0.284 350 P C 0.821 178.052 177.300 -0.115 0.000 1.258 350 P CA -0.063 62.945 63.100 -0.153 0.000 0.824 350 P CB 0.875 32.463 31.700 -0.187 0.000 1.038 351 G N 2.053 110.773 108.800 -0.133 0.000 2.798 351 G HA2 -0.065 3.893 3.960 -0.004 0.000 0.202 351 G HA3 -0.065 3.893 3.960 -0.004 0.000 0.202 351 G C -0.447 174.404 174.900 -0.081 0.000 1.432 351 G CA 0.458 45.508 45.100 -0.082 0.000 0.861 351 G HN 0.521 nan 8.290 nan 0.000 0.598 352 D N 0.870 121.221 120.400 -0.082 0.000 2.253 352 D HA 0.479 5.117 4.640 -0.004 0.000 0.249 352 D C -2.350 173.906 176.300 -0.073 0.000 1.049 352 D CA -0.978 52.985 54.000 -0.061 0.000 0.929 352 D CB 1.369 42.143 40.800 -0.043 0.000 1.176 352 D HN -0.001 nan 8.370 nan 0.000 0.437 353 P HA 0.045 nan 4.420 nan 0.000 0.265 353 P C -2.382 174.905 177.300 -0.022 0.000 1.187 353 P CA -0.544 62.544 63.100 -0.021 0.000 0.766 353 P CB 0.109 31.799 31.700 -0.016 0.000 0.820 354 P HA 0.056 nan 4.420 nan 0.000 0.271 354 P C -0.886 176.389 177.300 -0.041 0.000 1.218 354 P CA 0.144 63.259 63.100 0.024 0.000 0.780 354 P CB 0.634 32.391 31.700 0.096 0.000 0.901 355 Q N 2.078 121.872 119.800 -0.011 0.000 2.353 355 Q HA 0.463 4.800 4.340 -0.004 0.000 0.268 355 Q C -2.408 173.573 176.000 -0.031 0.000 1.045 355 Q CA -2.299 53.487 55.803 -0.029 0.000 0.811 355 Q CB 1.298 30.036 28.738 -0.001 0.000 1.305 355 Q HN 0.319 nan 8.270 nan 0.000 0.447 356 P HA 0.142 nan 4.420 nan 0.000 0.271 356 P C -0.548 176.614 177.300 -0.230 0.000 1.216 356 P CA -0.015 62.995 63.100 -0.149 0.000 0.776 356 P CB 0.886 32.486 31.700 -0.166 0.000 0.881 357 E N 1.824 121.849 120.200 -0.291 0.000 2.266 357 E HA 0.228 4.576 4.350 -0.004 0.000 0.268 357 E C -0.552 175.851 176.600 -0.327 0.000 0.879 357 E CA -0.385 55.879 56.400 -0.227 0.000 0.762 357 E CB 1.567 31.238 29.700 -0.047 0.000 1.199 357 E HN 0.469 nan 8.360 nan 0.000 0.422 358 Y N -0.207 120.239 120.300 0.244 0.000 2.557 358 Y HA 0.158 4.706 4.550 -0.004 0.000 0.247 358 Y C 0.270 176.424 175.900 0.423 0.000 1.164 358 Y CA -0.392 57.908 58.100 0.334 0.000 1.218 358 Y CB 1.091 39.652 38.460 0.167 0.000 1.210 358 Y HN 0.260 nan 8.280 nan 0.000 0.529 359 D N 0.632 121.207 120.400 0.293 0.000 2.505 359 D HA 0.127 4.765 4.640 -0.004 0.000 0.250 359 D C 0.708 176.802 176.300 -0.344 0.000 1.164 359 D CA -0.213 53.824 54.000 0.061 0.000 0.870 359 D CB 1.442 42.276 40.800 0.056 0.000 1.160 359 D HN 0.132 nan 8.370 nan 0.000 0.549 360 L N 3.190 123.877 121.223 -0.893 0.000 2.129 360 L HA -0.133 4.205 4.340 -0.004 0.000 0.212 360 L C 1.798 178.341 176.870 -0.544 0.000 1.087 360 L CA 1.478 55.603 54.840 -1.192 0.000 0.757 360 L CB 0.030 41.194 42.059 -1.492 0.000 0.896 360 L HN 0.612 nan 8.230 nan 0.000 0.434 361 E N -0.111 119.882 120.200 -0.345 0.000 2.209 361 E HA -0.227 4.121 4.350 -0.004 0.000 0.196 361 E C 2.018 178.523 176.600 -0.159 0.000 0.993 361 E CA 0.867 57.144 56.400 -0.204 0.000 0.819 361 E CB 0.009 29.636 29.700 -0.121 0.000 0.745 361 E HN 0.571 nan 8.360 nan 0.000 0.477 362 L N 0.774 121.906 121.223 -0.151 0.000 2.591 362 L HA 0.190 4.528 4.340 -0.004 0.000 0.228 362 L C 0.461 177.275 176.870 -0.093 0.000 1.133 362 L CA -0.187 54.597 54.840 -0.093 0.000 0.880 362 L CB 0.230 42.257 42.059 -0.053 0.000 1.033 362 L HN 0.065 nan 8.230 nan 0.000 0.450 363 I N 0.418 120.904 120.570 -0.140 0.000 2.301 363 I HA 0.092 4.260 4.170 -0.004 0.000 0.292 363 I C -0.013 176.049 176.117 -0.092 0.000 1.046 363 I CA 0.127 61.361 61.300 -0.110 0.000 1.282 363 I CB 1.066 38.976 38.000 -0.149 0.000 1.409 363 I HN -0.067 nan 8.210 nan 0.000 0.484 364 T N 5.111 119.633 114.554 -0.054 0.000 2.749 364 T HA 0.371 4.718 4.350 -0.004 0.000 0.287 364 T C 0.000 174.685 174.700 -0.025 0.000 0.970 364 T CA -0.589 61.487 62.100 -0.040 0.000 0.980 364 T CB 0.841 69.691 68.868 -0.030 0.000 0.924 364 T HN 0.703 nan 8.240 nan 0.000 0.456 365 S N 0.896 116.581 115.700 -0.025 0.000 2.521 365 S HA 0.406 4.874 4.470 -0.004 0.000 0.295 365 S C 0.220 174.817 174.600 -0.005 0.000 1.098 365 S CA -0.877 57.312 58.200 -0.018 0.000 0.999 365 S CB 0.526 63.706 63.200 -0.033 0.000 1.034 365 S HN 0.909 nan 8.310 nan 0.000 0.483 366 C N 2.308 121.607 119.300 -0.002 0.000 3.744 366 C HA -0.161 4.297 4.460 -0.004 0.000 0.290 366 C C 1.374 176.393 174.990 0.048 0.000 1.385 366 C CA 0.579 59.608 59.018 0.018 0.000 2.099 366 C CB -3.403 24.341 27.740 0.006 0.000 1.359 366 C HN 1.521 nan 8.230 nan 0.000 0.629 367 S N -1.862 113.859 115.700 0.036 0.000 3.319 367 S HA -0.211 4.257 4.470 -0.004 0.000 0.319 367 S C 0.355 174.979 174.600 0.039 0.000 1.236 367 S CA 1.340 59.560 58.200 0.033 0.000 0.964 367 S CB -0.899 62.331 63.200 0.050 0.000 1.040 367 S HN 1.067 nan 8.310 nan 0.000 0.620 368 S N 1.634 117.364 115.700 0.051 0.000 2.632 368 S HA 0.784 5.252 4.470 -0.004 0.000 0.289 368 S C -0.458 174.150 174.600 0.014 0.000 1.115 368 S CA -0.913 57.335 58.200 0.079 0.000 0.889 368 S CB 1.889 65.197 63.200 0.180 0.000 1.116 368 S HN 0.594 nan 8.310 nan 0.000 0.486 369 N N -0.756 117.943 118.700 -0.001 0.000 2.494 369 N HA 0.404 5.142 4.740 -0.004 0.000 0.270 369 N C -1.588 173.854 175.510 -0.113 0.000 1.285 369 N CA -0.576 52.432 53.050 -0.070 0.000 0.812 369 N CB 1.065 39.498 38.487 -0.089 0.000 1.557 369 N HN 0.336 nan 8.380 nan 0.000 0.487 370 V N 0.593 120.409 119.914 -0.163 0.000 2.614 370 V HA 0.370 4.488 4.120 -0.004 0.000 0.291 370 V C 0.558 176.506 176.094 -0.243 0.000 1.049 370 V CA 0.078 62.256 62.300 -0.204 0.000 1.038 370 V CB 0.926 32.632 31.823 -0.196 0.000 0.980 370 V HN 0.835 nan 8.190 nan 0.000 0.481 371 S N 2.728 118.190 115.700 -0.397 0.000 2.740 371 S HA 0.813 5.281 4.470 -0.004 0.000 0.300 371 S C -1.213 173.255 174.600 -0.220 0.000 1.147 371 S CA -0.483 57.518 58.200 -0.331 0.000 0.871 371 S CB 2.077 65.042 63.200 -0.391 0.000 1.173 371 S HN 0.603 nan 8.310 nan 0.000 0.510 372 V N 0.919 120.809 119.914 -0.040 0.000 2.876 372 V HA 0.968 5.086 4.120 -0.004 0.000 0.312 372 V C -0.287 175.808 176.094 0.001 0.000 1.085 372 V CA 0.243 62.479 62.300 -0.108 0.000 0.945 372 V CB 1.314 32.895 31.823 -0.404 0.000 1.017 372 V HN 1.228 nan 8.190 nan 0.000 0.428 373 A N 4.211 126.929 122.820 -0.170 0.000 2.566 373 A HA 0.951 5.269 4.320 -0.004 0.000 0.291 373 A C -1.556 175.772 177.584 -0.427 0.000 1.278 373 A CA -0.500 51.320 52.037 -0.361 0.000 0.711 373 A CB 1.616 20.191 19.000 -0.707 0.000 1.332 373 A HN 0.994 nan 8.150 nan 0.000 0.478 374 H N -0.195 118.696 119.070 -0.298 0.000 2.768 374 H HA 0.499 5.052 4.556 -0.004 0.000 0.371 374 H C -0.820 174.709 175.328 0.335 0.000 1.151 374 H CA -0.277 55.881 56.048 0.183 0.000 1.165 374 H CB 1.485 31.583 29.762 0.560 0.000 1.722 374 H HN 0.805 nan 8.280 nan 0.000 0.543 375 D N 0.655 121.172 120.400 0.195 0.000 2.507 375 D HA 0.243 4.881 4.640 -0.004 0.000 0.280 375 D C 1.250 177.475 176.300 -0.125 0.000 1.219 375 D CA -0.311 53.712 54.000 0.038 0.000 1.085 375 D CB 0.149 40.955 40.800 0.009 0.000 1.134 375 D HN 0.506 nan 8.370 nan 0.000 0.583 376 A N -0.477 122.290 122.820 -0.088 0.000 2.019 376 A HA -0.114 4.204 4.320 -0.004 0.000 0.219 376 A C 2.066 179.581 177.584 -0.115 0.000 1.164 376 A CA 2.287 54.254 52.037 -0.116 0.000 0.644 376 A CB -1.038 17.940 19.000 -0.036 0.000 0.805 376 A HN 0.600 nan 8.150 nan 0.000 0.449 377 S N -2.230 113.430 115.700 -0.067 0.000 2.527 377 S HA 0.360 4.828 4.470 -0.004 0.000 0.222 377 S C 1.441 176.015 174.600 -0.043 0.000 0.985 377 S CA 1.192 59.366 58.200 -0.043 0.000 0.921 377 S CB -0.111 63.082 63.200 -0.012 0.000 0.772 377 S HN 1.893 nan 8.310 nan 0.000 0.529 378 G N 1.071 109.837 108.800 -0.056 0.000 2.176 378 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.232 378 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.232 378 G C -0.049 174.957 174.900 0.178 0.000 0.986 378 G CA 0.120 45.228 45.100 0.014 0.000 0.643 378 G HN 0.742 nan 8.290 nan 0.000 0.522 379 K N 0.949 121.415 120.400 0.110 0.000 2.355 379 K HA 0.388 4.705 4.320 -0.004 0.000 0.270 379 K C 0.723 177.345 176.600 0.037 0.000 1.003 379 K CA -0.574 55.764 56.287 0.085 0.000 0.957 379 K CB 0.283 32.803 32.500 0.033 0.000 0.939 379 K HN 0.297 nan 8.250 nan 0.000 0.482 380 R N 1.811 122.252 120.500 -0.098 0.000 2.489 380 R HA 0.126 4.464 4.340 -0.004 0.000 0.287 380 R C -0.776 175.332 176.300 -0.320 0.000 1.053 380 R CA -0.253 55.603 56.100 -0.407 0.000 1.036 380 R CB 0.808 30.848 30.300 -0.433 0.000 0.966 380 R HN 0.259 nan 8.270 nan 0.000 0.432 381 V N 5.165 124.849 119.914 -0.384 0.000 2.443 381 V HA 0.234 4.351 4.120 -0.004 0.000 0.293 381 V C -0.955 175.005 176.094 -0.223 0.000 1.021 381 V CA -0.820 61.357 62.300 -0.205 0.000 0.848 381 V CB 1.156 32.919 31.823 -0.101 0.000 0.998 381 V HN 0.600 nan 8.190 nan 0.000 0.424 382 Y N 5.524 125.839 120.300 0.025 0.000 2.299 382 Y HA 0.625 5.173 4.550 -0.004 0.000 0.326 382 Y C 0.102 176.080 175.900 0.130 0.000 1.164 382 Y CA -0.103 58.018 58.100 0.036 0.000 1.234 382 Y CB 1.074 39.505 38.460 -0.048 0.000 1.219 382 Y HN 0.731 nan 8.280 nan 0.000 0.497 383 Y N 0.226 120.589 120.300 0.105 0.000 2.638 383 Y HA 0.670 5.218 4.550 -0.004 0.000 0.335 383 Y C -2.249 173.706 175.900 0.092 0.000 1.155 383 Y CA -1.819 56.324 58.100 0.071 0.000 1.046 383 Y CB 0.831 39.325 38.460 0.057 0.000 1.303 383 Y HN 0.449 nan 8.280 nan 0.000 0.460 384 L N 2.236 123.501 121.223 0.071 0.000 2.289 384 L HA 0.717 5.054 4.340 -0.004 0.000 0.285 384 L C -0.009 177.027 176.870 0.276 0.000 1.049 384 L CA 0.357 55.230 54.840 0.056 0.000 0.804 384 L CB 1.459 43.572 42.059 0.091 0.000 1.195 384 L HN 1.000 nan 8.230 nan 0.000 0.428 385 T N 4.382 119.046 114.554 0.183 0.000 2.742 385 T HA 0.869 5.217 4.350 -0.004 0.000 0.282 385 T C -1.103 173.712 174.700 0.191 0.000 1.025 385 T CA -0.633 61.668 62.100 0.335 0.000 1.020 385 T CB 1.130 70.171 68.868 0.289 0.000 1.317 385 T HN 0.817 nan 8.240 nan 0.000 0.538 386 R N 0.428 120.968 120.500 0.068 0.000 2.716 386 R HA 0.443 4.781 4.340 -0.004 0.000 0.271 386 R C -1.442 174.671 176.300 -0.313 0.000 1.028 386 R CA -0.994 55.026 56.100 -0.133 0.000 0.883 386 R CB 0.385 30.548 30.300 -0.228 0.000 1.250 386 R HN 0.524 nan 8.270 nan 0.000 0.465 387 D N 2.056 122.281 120.400 -0.291 0.000 2.520 387 D HA 0.012 4.650 4.640 -0.004 0.000 0.243 387 D C -1.335 174.593 176.300 -0.620 0.000 1.160 387 D CA -0.904 52.876 54.000 -0.367 0.000 0.877 387 D CB 1.164 41.834 40.800 -0.218 0.000 1.150 387 D HN 0.342 nan 8.370 nan 0.000 0.494 388 P HA 0.019 nan 4.420 nan 0.000 0.249 388 P C 1.119 178.098 177.300 -0.534 0.000 1.229 388 P CA 0.104 62.531 63.100 -1.123 0.000 0.788 388 P CB 0.336 31.266 31.700 -1.283 0.000 1.072 389 T N -0.305 114.049 114.554 -0.333 0.000 2.674 389 T HA -0.116 4.232 4.350 -0.004 0.000 0.265 389 T C 1.753 176.389 174.700 -0.107 0.000 1.039 389 T CA 2.276 64.278 62.100 -0.163 0.000 1.150 389 T CB -1.023 67.787 68.868 -0.097 0.000 0.864 389 T HN 0.183 nan 8.240 nan 0.000 0.427 390 T N 2.231 116.725 114.554 -0.100 0.000 2.737 390 T HA -0.044 4.304 4.350 -0.004 0.000 0.265 390 T C -0.595 174.068 174.700 -0.061 0.000 1.038 390 T CA 1.130 63.199 62.100 -0.051 0.000 1.144 390 T CB -1.208 67.661 68.868 0.000 0.000 0.866 390 T HN 0.328 nan 8.240 nan 0.000 0.434 391 P HA -0.035 nan 4.420 nan 0.000 0.216 391 P C 1.503 178.847 177.300 0.073 0.000 1.153 391 P CA 0.980 64.086 63.100 0.011 0.000 0.858 391 P CB -0.177 31.508 31.700 -0.026 0.000 0.789 392 L N -1.368 119.853 121.223 -0.003 0.000 2.072 392 L HA -0.110 4.227 4.340 -0.004 0.000 0.205 392 L C 2.507 179.429 176.870 0.087 0.000 1.079 392 L CA 1.413 56.282 54.840 0.048 0.000 0.752 392 L CB -1.116 40.931 42.059 -0.022 0.000 0.906 392 L HN -0.062 nan 8.230 nan 0.000 0.436 393 A N 0.176 123.030 122.820 0.058 0.000 1.902 393 A HA -0.216 4.102 4.320 -0.004 0.000 0.217 393 A C 2.368 180.035 177.584 0.139 0.000 1.181 393 A CA 1.588 53.679 52.037 0.091 0.000 0.623 393 A CB -0.452 18.573 19.000 0.042 0.000 0.818 393 A HN 0.327 nan 8.150 nan 0.000 0.443 394 R N -0.805 119.749 120.500 0.091 0.000 2.115 394 R HA 0.050 4.388 4.340 -0.004 0.000 0.226 394 R C 2.430 178.891 176.300 0.268 0.000 1.100 394 R CA 0.946 57.112 56.100 0.109 0.000 0.980 394 R CB -0.352 29.945 30.300 -0.004 0.000 0.875 394 R HN 0.507 nan 8.270 nan 0.000 0.445 395 A N 1.221 124.228 122.820 0.312 0.000 1.930 395 A HA -0.067 4.251 4.320 -0.004 0.000 0.217 395 A C 2.324 180.169 177.584 0.434 0.000 1.175 395 A CA 1.550 53.887 52.037 0.500 0.000 0.627 395 A CB -0.479 18.864 19.000 0.572 0.000 0.815 395 A HN 0.369 nan 8.150 nan 0.000 0.443 396 A N -1.218 121.768 122.820 0.278 0.000 1.873 396 A HA -0.170 4.148 4.320 -0.004 0.000 0.215 396 A C 2.092 179.816 177.584 0.234 0.000 1.186 396 A CA 1.331 53.488 52.037 0.199 0.000 0.616 396 A CB -0.889 18.199 19.000 0.147 0.000 0.823 396 A HN 0.811 nan 8.150 nan 0.000 0.442 397 W N 1.019 122.380 121.300 0.102 0.000 2.335 397 W HA -0.183 4.474 4.660 -0.005 0.000 0.311 397 W C 1.672 178.255 176.519 0.106 0.000 1.213 397 W CA 2.111 59.504 57.345 0.078 0.000 1.274 397 W CB -0.353 29.128 29.460 0.034 0.000 1.148 397 W HN 0.544 nan 8.180 nan 0.000 0.498 398 E N -1.023 119.445 120.200 0.447 0.000 2.418 398 E HA -0.116 4.232 4.350 -0.004 0.000 0.197 398 E C 1.932 178.712 176.600 0.300 0.000 1.026 398 E CA 1.375 58.000 56.400 0.374 0.000 0.862 398 E CB -0.101 29.860 29.700 0.435 0.000 0.799 398 E HN 0.083 nan 8.360 nan 0.000 0.518 399 T N 0.304 115.024 114.554 0.277 0.000 2.951 399 T HA -0.045 4.303 4.350 -0.004 0.000 0.268 399 T C 1.904 176.657 174.700 0.088 0.000 1.073 399 T CA 0.948 63.155 62.100 0.178 0.000 1.134 399 T CB 0.031 69.007 68.868 0.180 0.000 0.884 399 T HN 0.223 nan 8.240 nan 0.000 0.479 400 A N 1.090 123.931 122.820 0.034 0.000 1.930 400 A HA 0.192 4.510 4.320 -0.004 0.000 0.215 400 A C 1.387 178.959 177.584 -0.021 0.000 1.176 400 A CA 0.689 52.692 52.037 -0.057 0.000 0.632 400 A CB 0.081 18.946 19.000 -0.226 0.000 0.819 400 A HN 0.313 nan 8.150 nan 0.000 0.445 401 R N -1.415 119.104 120.500 0.032 0.000 2.807 401 R HA 0.369 4.707 4.340 -0.004 0.000 0.276 401 R C -0.569 175.813 176.300 0.136 0.000 0.979 401 R CA -0.727 55.437 56.100 0.106 0.000 0.928 401 R CB 1.159 31.526 30.300 0.112 0.000 1.191 401 R HN 0.594 nan 8.270 nan 0.000 0.471 402 H N 0.696 119.834 119.070 0.112 0.000 2.757 402 H HA 0.190 4.744 4.556 -0.004 0.000 0.370 402 H C -0.977 174.431 175.328 0.132 0.000 1.172 402 H CA 0.720 56.841 56.048 0.121 0.000 1.426 402 H CB 0.906 30.720 29.762 0.085 0.000 1.438 402 H HN 0.600 nan 8.280 nan 0.000 0.612 403 T N 3.255 117.237 114.554 -0.953 0.000 3.087 403 T HA 0.087 4.435 4.350 -0.004 0.000 0.351 403 T C -2.157 172.401 174.700 -0.236 0.000 1.520 403 T CA -1.001 60.894 62.100 -0.343 0.000 1.111 403 T CB 1.917 70.713 68.868 -0.119 0.000 1.353 403 T HN 0.438 nan 8.240 nan 0.000 0.481 404 P HA 0.003 nan 4.420 nan 0.000 0.216 404 P C 0.689 177.880 177.300 -0.182 0.000 1.153 404 P CA 0.611 63.608 63.100 -0.172 0.000 0.844 404 P CB 0.167 31.766 31.700 -0.167 0.000 0.787 405 V N 3.837 123.644 119.914 -0.179 0.000 1.973 405 V HA 0.055 4.172 4.120 -0.004 0.000 0.255 405 V C 0.464 176.479 176.094 -0.131 0.000 1.605 405 V CA -0.108 62.098 62.300 -0.156 0.000 1.542 405 V CB -1.761 29.967 31.823 -0.159 0.000 1.504 405 V HN 0.190 nan 8.190 nan 0.000 0.505 406 N N 2.394 120.994 118.700 -0.166 0.000 2.605 406 N HA 0.005 4.743 4.740 -0.004 0.000 0.258 406 N C 1.594 176.881 175.510 -0.373 0.000 1.156 406 N CA 0.430 53.377 53.050 -0.171 0.000 1.008 406 N CB 1.180 39.620 38.487 -0.078 0.000 1.354 406 N HN 0.642 nan 8.380 nan 0.000 0.509 407 S N 1.702 117.303 115.700 -0.165 0.000 2.423 407 S HA -0.187 4.281 4.470 -0.004 0.000 0.238 407 S C 1.763 176.290 174.600 -0.123 0.000 1.028 407 S CA 0.504 58.630 58.200 -0.124 0.000 1.000 407 S CB -0.607 62.577 63.200 -0.026 0.000 0.797 407 S HN 0.800 nan 8.310 nan 0.000 0.487 408 W N 1.052 122.272 121.300 -0.134 0.000 2.342 408 W HA -0.073 4.585 4.660 -0.004 0.000 0.297 408 W C 1.725 178.135 176.519 -0.182 0.000 1.213 408 W CA 0.623 57.852 57.345 -0.193 0.000 1.251 408 W CB -1.144 27.919 29.460 -0.661 0.000 1.136 408 W HN 0.383 nan 8.180 nan 0.000 0.526 409 L N 2.666 123.231 121.223 -1.096 0.000 2.131 409 L HA 0.226 4.564 4.340 -0.004 0.000 0.206 409 L C 2.661 179.289 176.870 -0.404 0.000 1.087 409 L CA 2.538 56.801 54.840 -0.963 0.000 0.767 409 L CB -1.344 39.829 42.059 -1.477 0.000 0.917 409 L HN 0.039 nan 8.230 nan 0.000 0.441 410 G N -0.542 108.057 108.800 -0.334 0.000 2.422 410 G HA2 -0.296 3.662 3.960 -0.004 0.000 0.218 410 G HA3 -0.296 3.662 3.960 -0.004 0.000 0.218 410 G C 1.483 176.360 174.900 -0.038 0.000 1.146 410 G CA 0.737 45.743 45.100 -0.158 0.000 0.769 410 G HN 0.422 nan 8.290 nan 0.000 0.547 411 N N 0.536 119.268 118.700 0.053 0.000 2.188 411 N HA -0.010 4.728 4.740 -0.004 0.000 0.184 411 N C 2.265 177.873 175.510 0.163 0.000 1.018 411 N CA 0.629 53.830 53.050 0.251 0.000 0.858 411 N CB -0.163 38.547 38.487 0.370 0.000 0.989 411 N HN 0.329 nan 8.380 nan 0.000 0.426 412 I N 0.849 121.469 120.570 0.083 0.000 2.286 412 I HA -0.237 3.931 4.170 -0.004 0.000 0.248 412 I C 1.996 178.088 176.117 -0.043 0.000 1.115 412 I CA 0.886 62.208 61.300 0.037 0.000 1.392 412 I CB -0.086 37.995 38.000 0.135 0.000 1.065 412 I HN 0.055 nan 8.210 nan 0.000 0.418 413 I N -0.410 120.121 120.570 -0.065 0.000 2.162 413 I HA -0.274 3.893 4.170 -0.004 0.000 0.238 413 I C 2.427 178.475 176.117 -0.116 0.000 1.076 413 I CA 1.129 62.370 61.300 -0.098 0.000 1.353 413 I CB -0.224 37.695 38.000 -0.134 0.000 1.063 413 I HN 0.161 nan 8.210 nan 0.000 0.408 414 M N -0.486 119.025 119.600 -0.148 0.000 2.229 414 M HA -0.147 4.331 4.480 -0.004 0.000 0.264 414 M C 1.151 177.183 176.300 -0.447 0.000 1.063 414 M CA 1.679 56.803 55.300 -0.294 0.000 1.114 414 M CB -0.978 31.403 32.600 -0.365 0.000 1.387 414 M HN 0.221 nan 8.290 nan 0.000 0.420 415 Y N -0.923 119.327 120.300 -0.084 0.000 2.751 415 Y HA 0.461 5.009 4.550 -0.003 0.000 0.289 415 Y C 1.710 177.389 175.900 -0.369 0.000 1.110 415 Y CA -0.282 57.698 58.100 -0.200 0.000 1.251 415 Y CB -0.543 37.730 38.460 -0.311 0.000 1.178 415 Y HN 0.161 nan 8.280 nan 0.000 0.540 416 A N 1.292 123.959 122.820 -0.255 0.000 1.948 416 A HA -0.149 4.168 4.320 -0.004 0.000 0.220 416 A C -0.473 176.841 177.584 -0.450 0.000 1.177 416 A CA 1.469 53.265 52.037 -0.401 0.000 0.636 416 A CB -1.326 17.342 19.000 -0.553 0.000 0.815 416 A HN 0.271 nan 8.150 nan 0.000 0.449 417 P HA 0.041 nan 4.420 nan 0.000 0.241 417 P C 0.568 177.661 177.300 -0.345 0.000 1.191 417 P CA 1.062 63.981 63.100 -0.302 0.000 0.771 417 P CB -0.639 30.981 31.700 -0.133 0.000 0.929 418 T N -1.850 112.486 114.554 -0.362 0.000 2.899 418 T HA 0.208 4.556 4.350 -0.004 0.000 0.295 418 T C 1.521 175.838 174.700 -0.638 0.000 1.033 418 T CA -0.687 61.140 62.100 -0.454 0.000 1.084 418 T CB 0.687 69.062 68.868 -0.822 0.000 0.979 418 T HN 0.050 nan 8.240 nan 0.000 0.532 419 L N 0.767 121.518 121.223 -0.788 0.000 2.042 419 L HA 0.033 4.370 4.340 -0.004 0.000 0.210 419 L C 2.473 179.041 176.870 -0.503 0.000 1.076 419 L CA 1.043 55.372 54.840 -0.852 0.000 0.749 419 L CB -0.966 40.417 42.059 -1.127 0.000 0.893 419 L HN 0.869 nan 8.230 nan 0.000 0.432 420 W N 0.600 121.691 121.300 -0.347 0.000 2.453 420 W HA 0.173 4.832 4.660 -0.002 0.000 0.289 420 W C 2.279 178.657 176.519 -0.234 0.000 1.215 420 W CA 0.526 57.702 57.345 -0.281 0.000 1.297 420 W CB -1.160 28.168 29.460 -0.220 0.000 1.113 420 W HN 0.260 nan 8.180 nan 0.000 0.551 421 A N 1.833 124.208 122.820 -0.742 0.000 1.930 421 A HA -0.130 4.188 4.320 -0.004 0.000 0.217 421 A C 2.252 179.667 177.584 -0.282 0.000 1.175 421 A CA 1.745 53.490 52.037 -0.487 0.000 0.627 421 A CB -0.710 17.871 19.000 -0.698 0.000 0.815 421 A HN 0.314 nan 8.150 nan 0.000 0.443 422 R N -1.129 119.131 120.500 -0.400 0.000 2.055 422 R HA 0.099 4.437 4.340 -0.004 0.000 0.226 422 R C 2.295 178.377 176.300 -0.364 0.000 1.135 422 R CA 1.550 57.426 56.100 -0.374 0.000 0.959 422 R CB -0.326 29.640 30.300 -0.556 0.000 0.854 422 R HN 0.483 nan 8.270 nan 0.000 0.431 423 M N -0.144 119.119 119.600 -0.562 0.000 2.200 423 M HA -0.049 4.429 4.480 -0.004 0.000 0.265 423 M C 1.948 178.123 176.300 -0.208 0.000 1.066 423 M CA 1.602 56.618 55.300 -0.473 0.000 1.127 423 M CB 0.042 32.371 32.600 -0.452 0.000 1.379 423 M HN 0.141 nan 8.290 nan 0.000 0.420 424 I N -0.801 119.528 120.570 -0.400 0.000 2.900 424 I HA -0.101 4.067 4.170 -0.004 0.000 0.251 424 I C 2.072 177.965 176.117 -0.374 0.000 1.102 424 I CA 0.366 61.160 61.300 -0.843 0.000 1.457 424 I CB -0.176 37.294 38.000 -0.883 0.000 1.285 424 I HN 0.128 nan 8.210 nan 0.000 0.459 425 L N 0.164 121.367 121.223 -0.034 0.000 2.056 425 L HA -0.151 4.187 4.340 -0.004 0.000 0.207 425 L C 2.632 179.763 176.870 0.435 0.000 1.078 425 L CA 1.486 56.503 54.840 0.294 0.000 0.749 425 L CB -0.400 41.889 42.059 0.383 0.000 0.901 425 L HN 0.267 nan 8.230 nan 0.000 0.433 426 M N -0.824 118.978 119.600 0.336 0.000 2.099 426 M HA -0.172 4.306 4.480 -0.004 0.000 0.262 426 M C 2.348 179.064 176.300 0.694 0.000 1.067 426 M CA 1.952 57.542 55.300 0.484 0.000 1.124 426 M CB -0.547 32.135 32.600 0.135 0.000 1.353 426 M HN 0.228 nan 8.290 nan 0.000 0.410 427 T N -1.172 113.741 114.554 0.597 0.000 2.652 427 T HA -0.237 4.111 4.350 -0.004 0.000 0.267 427 T C 1.662 176.590 174.700 0.379 0.000 1.039 427 T CA 1.978 64.382 62.100 0.508 0.000 1.153 427 T CB -0.574 68.546 68.868 0.419 0.000 0.863 427 T HN 0.447 nan 8.240 nan 0.000 0.428 428 H N 0.564 119.767 119.070 0.222 0.000 2.290 428 H HA -0.026 4.528 4.556 -0.003 0.000 0.298 428 H C 1.805 177.019 175.328 -0.190 0.000 1.087 428 H CA 1.604 57.685 56.048 0.055 0.000 1.291 428 H CB -0.703 28.932 29.762 -0.211 0.000 1.369 428 H HN 0.424 nan 8.280 nan 0.000 0.492 429 F N -1.286 118.547 119.950 -0.195 0.000 2.293 429 F HA -0.005 4.520 4.527 -0.004 0.000 0.297 429 F C 1.977 177.614 175.800 -0.271 0.000 1.089 429 F CA 0.444 58.130 58.000 -0.523 0.000 1.377 429 F CB -0.326 38.094 39.000 -0.968 0.000 1.051 429 F HN 0.122 nan 8.300 nan 0.000 0.511 430 F N 0.294 120.311 119.950 0.113 0.000 2.259 430 F HA -0.186 4.338 4.527 -0.004 0.000 0.298 430 F C 2.773 178.560 175.800 -0.022 0.000 1.088 430 F CA 1.248 59.315 58.000 0.112 0.000 1.358 430 F CB -0.907 38.248 39.000 0.258 0.000 1.040 430 F HN -0.029 nan 8.300 nan 0.000 0.505 431 S N 0.543 116.292 115.700 0.080 0.000 2.359 431 S HA -0.229 4.239 4.470 -0.004 0.000 0.224 431 S C 2.035 176.588 174.600 -0.078 0.000 1.035 431 S CA 1.615 59.797 58.200 -0.030 0.000 1.018 431 S CB -1.023 62.165 63.200 -0.020 0.000 0.876 431 S HN 0.419 nan 8.310 nan 0.000 0.448 432 I N 1.310 121.781 120.570 -0.165 0.000 2.252 432 I HA -0.094 4.074 4.170 -0.004 0.000 0.245 432 I C 2.501 178.556 176.117 -0.103 0.000 1.102 432 I CA 1.013 62.212 61.300 -0.168 0.000 1.385 432 I CB -0.420 37.406 38.000 -0.290 0.000 1.064 432 I HN 0.282 nan 8.210 nan 0.000 0.414 433 L N 0.252 121.408 121.223 -0.111 0.000 2.046 433 L HA -0.234 4.104 4.340 -0.004 0.000 0.208 433 L C 2.566 179.413 176.870 -0.039 0.000 1.077 433 L CA 1.376 56.166 54.840 -0.084 0.000 0.747 433 L CB -0.522 41.434 42.059 -0.172 0.000 0.896 433 L HN 0.270 nan 8.230 nan 0.000 0.432 434 L N -0.412 120.798 121.223 -0.020 0.000 2.017 434 L HA -0.211 4.127 4.340 -0.004 0.000 0.208 434 L C 2.837 179.695 176.870 -0.019 0.000 1.073 434 L CA 1.353 56.191 54.840 -0.003 0.000 0.745 434 L CB -0.625 41.434 42.059 0.001 0.000 0.894 434 L HN 0.244 nan 8.230 nan 0.000 0.432 435 A N -0.977 121.824 122.820 -0.032 0.000 1.969 435 A HA -0.185 4.132 4.320 -0.004 0.000 0.218 435 A C 2.033 179.603 177.584 -0.023 0.000 1.169 435 A CA 1.246 53.264 52.037 -0.032 0.000 0.635 435 A CB -0.268 18.709 19.000 -0.039 0.000 0.810 435 A HN 0.533 nan 8.150 nan 0.000 0.445 436 Q N -0.930 118.857 119.800 -0.021 0.000 2.319 436 Q HA 0.106 4.444 4.340 -0.004 0.000 0.202 436 Q C -0.803 175.195 176.000 -0.004 0.000 0.896 436 Q CA 0.085 55.882 55.803 -0.011 0.000 0.942 436 Q CB 0.267 29.000 28.738 -0.007 0.000 1.083 436 Q HN 0.703 nan 8.270 nan 0.000 0.510 437 E N 0.590 120.788 120.200 -0.005 0.000 2.360 437 E HA -0.261 4.087 4.350 -0.004 0.000 0.238 437 E C -0.207 176.398 176.600 0.008 0.000 1.186 437 E CA 0.308 56.709 56.400 0.002 0.000 0.719 437 E CB -1.050 28.652 29.700 0.002 0.000 1.236 437 E HN 0.483 nan 8.360 nan 0.000 0.386 438 Q N -0.277 119.526 119.800 0.005 0.000 2.157 438 Q HA 0.143 4.481 4.340 -0.004 0.000 0.229 438 Q C 1.457 177.461 176.000 0.007 0.000 0.827 438 Q CA -0.285 55.526 55.803 0.014 0.000 1.055 438 Q CB 0.431 29.184 28.738 0.025 0.000 1.157 438 Q HN 0.252 nan 8.270 nan 0.000 0.482 439 L N 1.003 122.227 121.223 0.002 0.000 2.083 439 L HA -0.168 4.170 4.340 -0.004 0.000 0.209 439 L C 1.261 178.145 176.870 0.024 0.000 1.083 439 L CA 2.028 56.869 54.840 0.002 0.000 0.752 439 L CB 0.272 42.357 42.059 0.043 0.000 0.899 439 L HN 0.105 nan 8.230 nan 0.000 0.433 440 E N -0.871 119.347 120.200 0.030 0.000 2.474 440 E HA 0.020 4.368 4.350 -0.004 0.000 0.194 440 E C 0.465 177.084 176.600 0.032 0.000 1.041 440 E CA 0.137 56.558 56.400 0.034 0.000 0.874 440 E CB -0.059 29.660 29.700 0.032 0.000 0.914 440 E HN 0.260 nan 8.360 nan 0.000 0.498 441 K N 1.405 121.824 120.400 0.032 0.000 2.258 441 K HA 0.436 4.754 4.320 -0.004 0.000 0.284 441 K C -0.427 176.198 176.600 0.041 0.000 1.051 441 K CA -0.410 55.899 56.287 0.037 0.000 0.923 441 K CB 0.714 33.239 32.500 0.042 0.000 1.046 441 K HN 0.031 nan 8.250 nan 0.000 0.474 442 A N 4.966 127.808 122.820 0.037 0.000 2.462 442 A HA 0.321 4.639 4.320 -0.004 0.000 0.243 442 A C -0.572 177.036 177.584 0.040 0.000 1.076 442 A CA -0.198 51.859 52.037 0.033 0.000 0.773 442 A CB 0.085 19.104 19.000 0.031 0.000 1.010 442 A HN 0.756 nan 8.150 nan 0.000 0.493 443 L N 2.018 123.253 121.223 0.019 0.000 2.386 443 L HA 0.355 4.693 4.340 -0.004 0.000 0.271 443 L C -0.806 176.048 176.870 -0.026 0.000 0.993 443 L CA -1.010 53.836 54.840 0.009 0.000 0.819 443 L CB 1.987 44.039 42.059 -0.011 0.000 1.294 443 L HN 0.580 nan 8.230 nan 0.000 0.414 444 D N 1.044 121.434 120.400 -0.016 0.000 2.382 444 D HA 0.220 4.857 4.640 -0.004 0.000 0.245 444 D C -0.687 175.554 176.300 -0.097 0.000 1.120 444 D CA 0.128 54.108 54.000 -0.032 0.000 0.890 444 D CB 1.543 42.332 40.800 -0.017 0.000 1.201 444 D HN 0.341 nan 8.370 nan 0.000 0.433 445 C N 2.350 121.610 119.300 -0.066 0.000 2.607 445 C HA 0.223 4.681 4.460 -0.004 0.000 0.350 445 C C -0.676 174.313 174.990 -0.002 0.000 1.101 445 C CA -0.602 58.359 59.018 -0.095 0.000 1.282 445 C CB 0.901 28.573 27.740 -0.113 0.000 1.825 445 C HN 0.531 nan 8.230 nan 0.000 0.460 446 Q N 4.408 124.179 119.800 -0.049 0.000 2.361 446 Q HA 0.498 4.836 4.340 -0.004 0.000 0.250 446 Q C 0.017 176.033 176.000 0.027 0.000 1.023 446 Q CA 0.266 56.064 55.803 -0.009 0.000 0.915 446 Q CB 0.447 29.154 28.738 -0.052 0.000 1.238 446 Q HN 0.764 nan 8.270 nan 0.000 0.451 447 I N 2.146 122.798 120.570 0.138 0.000 3.432 447 I HA -0.047 4.121 4.170 -0.004 0.000 0.291 447 I C 0.586 176.731 176.117 0.047 0.000 1.127 447 I CA -0.333 61.025 61.300 0.097 0.000 0.962 447 I CB 0.647 38.733 38.000 0.143 0.000 1.550 447 I HN 0.783 nan 8.210 nan 0.000 0.736 448 Y N 0.863 121.198 120.300 0.059 0.000 2.488 448 Y HA 0.030 4.578 4.550 -0.004 0.000 0.319 448 Y C 1.134 177.058 175.900 0.040 0.000 1.212 448 Y CA -0.105 58.023 58.100 0.046 0.000 1.273 448 Y CB 0.126 38.617 38.460 0.053 0.000 1.074 448 Y HN 0.652 nan 8.280 nan 0.000 0.503 449 G N -0.532 108.269 108.800 0.003 0.000 2.844 449 G HA2 0.460 4.418 3.960 -0.004 0.000 0.204 449 G HA3 0.460 4.418 3.960 -0.004 0.000 0.204 449 G C -0.128 174.743 174.900 -0.047 0.000 1.815 449 G CA 0.228 45.323 45.100 -0.010 0.000 0.739 449 G HN 0.254 nan 8.290 nan 0.000 0.807 450 A N -0.964 121.774 122.820 -0.137 0.000 2.336 450 A HA 0.505 4.823 4.320 -0.004 0.000 0.278 450 A C 0.173 177.579 177.584 -0.296 0.000 1.371 450 A CA 0.306 52.183 52.037 -0.267 0.000 0.842 450 A CB -0.075 18.683 19.000 -0.403 0.000 1.363 450 A HN 1.195 nan 8.150 nan 0.000 0.517 451 C N -0.680 118.432 119.300 -0.313 0.000 2.281 451 C HA 0.740 5.198 4.460 -0.004 0.000 0.325 451 C C -1.119 173.687 174.990 -0.306 0.000 1.282 451 C CA -0.819 58.076 59.018 -0.205 0.000 1.640 451 C CB -1.808 25.878 27.740 -0.090 0.000 2.288 451 C HN 0.495 nan 8.230 nan 0.000 0.507 452 Y N 3.106 123.373 120.300 -0.055 0.000 2.387 452 Y HA 0.437 4.985 4.550 -0.004 0.000 0.330 452 Y C 0.820 176.689 175.900 -0.052 0.000 1.133 452 Y CA -0.120 57.950 58.100 -0.052 0.000 1.152 452 Y CB 1.560 39.981 38.460 -0.065 0.000 1.215 452 Y HN 0.619 nan 8.280 nan 0.000 0.466 453 S N 4.122 119.894 115.700 0.120 0.000 2.466 453 S HA 0.508 4.976 4.470 -0.004 0.000 0.313 453 S C -0.830 173.804 174.600 0.057 0.000 1.078 453 S CA -0.506 57.732 58.200 0.062 0.000 1.115 453 S CB -0.909 62.317 63.200 0.043 0.000 1.006 453 S HN 0.530 nan 8.310 nan 0.000 0.487 454 I N 4.255 124.837 120.570 0.020 0.000 2.321 454 I HA 0.311 4.479 4.170 -0.004 0.000 0.291 454 I C 0.313 176.426 176.117 -0.007 0.000 0.998 454 I CA -0.483 60.811 61.300 -0.010 0.000 1.227 454 I CB 1.384 39.340 38.000 -0.073 0.000 1.368 454 I HN 0.506 nan 8.210 nan 0.000 0.466 455 E N 8.040 128.247 120.200 0.012 0.000 2.180 455 E HA 0.132 4.480 4.350 -0.004 0.000 0.283 455 E C -1.687 174.936 176.600 0.038 0.000 1.061 455 E CA -1.580 54.836 56.400 0.026 0.000 0.861 455 E CB 1.013 30.733 29.700 0.033 0.000 1.056 455 E HN 0.364 nan 8.360 nan 0.000 0.407 456 P HA -0.215 nan 4.420 nan 0.000 0.217 456 P C 1.058 178.472 177.300 0.190 0.000 1.151 456 P CA 1.225 64.370 63.100 0.075 0.000 0.849 456 P CB 0.192 31.857 31.700 -0.059 0.000 0.787 457 L N -0.999 120.314 121.223 0.149 0.000 2.275 457 L HA -0.124 4.214 4.340 -0.004 0.000 0.215 457 L C 1.557 178.497 176.870 0.116 0.000 1.119 457 L CA 1.106 56.045 54.840 0.165 0.000 0.790 457 L CB -0.765 41.363 42.059 0.116 0.000 0.919 457 L HN -0.041 nan 8.230 nan 0.000 0.443 458 D N -0.058 120.392 120.400 0.084 0.000 2.363 458 D HA -0.041 4.597 4.640 -0.004 0.000 0.226 458 D C 2.252 178.587 176.300 0.057 0.000 1.020 458 D CA 0.504 54.534 54.000 0.050 0.000 0.892 458 D CB 0.218 41.034 40.800 0.026 0.000 0.900 458 D HN 0.318 nan 8.370 nan 0.000 0.531 459 L N 0.829 122.119 121.223 0.112 0.000 2.042 459 L HA -0.147 4.191 4.340 -0.004 0.000 0.210 459 L C -0.481 176.459 176.870 0.117 0.000 1.076 459 L CA 1.397 56.311 54.840 0.124 0.000 0.749 459 L CB -1.323 40.871 42.059 0.226 0.000 0.893 459 L HN 0.049 nan 8.230 nan 0.000 0.432 460 P HA -0.192 nan 4.420 nan 0.000 0.215 460 P C 1.347 178.689 177.300 0.069 0.000 1.153 460 P CA 1.255 64.370 63.100 0.024 0.000 0.853 460 P CB 0.077 31.648 31.700 -0.215 0.000 0.788 461 Q N -1.031 118.768 119.800 -0.002 0.000 2.123 461 Q HA -0.040 4.297 4.340 -0.004 0.000 0.199 461 Q C 2.157 178.168 176.000 0.019 0.000 0.966 461 Q CA 1.113 56.912 55.803 -0.008 0.000 0.845 461 Q CB -0.830 27.893 28.738 -0.025 0.000 0.907 461 Q HN 0.249 nan 8.270 nan 0.000 0.439 462 I N -0.176 120.406 120.570 0.020 0.000 2.179 462 I HA -0.267 3.901 4.170 -0.004 0.000 0.242 462 I C 1.878 178.003 176.117 0.014 0.000 1.088 462 I CA 1.142 62.437 61.300 -0.008 0.000 1.357 462 I CB -0.203 37.775 38.000 -0.037 0.000 1.051 462 I HN 0.194 nan 8.210 nan 0.000 0.409 463 I N 0.364 120.976 120.570 0.069 0.000 2.252 463 I HA -0.278 3.890 4.170 -0.004 0.000 0.245 463 I C 2.623 178.776 176.117 0.060 0.000 1.102 463 I CA 1.327 62.672 61.300 0.075 0.000 1.385 463 I CB -0.380 37.638 38.000 0.031 0.000 1.064 463 I HN 0.299 nan 8.210 nan 0.000 0.414 464 E N 1.421 121.680 120.200 0.099 0.000 2.058 464 E HA -0.303 4.045 4.350 -0.004 0.000 0.194 464 E C 2.376 178.973 176.600 -0.005 0.000 0.997 464 E CA 1.365 57.803 56.400 0.063 0.000 0.801 464 E CB -0.028 29.746 29.700 0.123 0.000 0.746 464 E HN 0.315 nan 8.360 nan 0.000 0.450 465 R N -0.038 120.459 120.500 -0.005 0.000 2.081 465 R HA -0.154 4.184 4.340 -0.004 0.000 0.235 465 R C 2.406 178.671 176.300 -0.059 0.000 1.131 465 R CA 1.330 57.413 56.100 -0.028 0.000 0.960 465 R CB -0.184 30.101 30.300 -0.025 0.000 0.856 465 R HN 0.247 nan 8.270 nan 0.000 0.436 466 L N -0.777 120.404 121.223 -0.070 0.000 2.162 466 L HA 0.002 4.340 4.340 -0.004 0.000 0.205 466 L C 1.692 178.391 176.870 -0.286 0.000 1.086 466 L CA 1.745 56.513 54.840 -0.120 0.000 0.778 466 L CB -0.138 41.873 42.059 -0.082 0.000 0.928 466 L HN 0.258 nan 8.230 nan 0.000 0.446 467 H N -1.838 117.162 119.070 -0.117 0.000 2.788 467 H HA 0.357 4.910 4.556 -0.004 0.000 0.262 467 H C 0.831 176.079 175.328 -0.133 0.000 0.968 467 H CA 0.296 56.262 56.048 -0.138 0.000 1.218 467 H CB 0.767 30.396 29.762 -0.222 0.000 1.443 467 H HN 0.350 nan 8.280 nan 0.000 0.478 468 G N 0.637 109.311 108.800 -0.210 0.000 2.756 468 G HA2 -0.241 3.716 3.960 -0.004 0.000 0.678 468 G HA3 -0.241 3.716 3.960 -0.004 0.000 0.678 468 G C 0.447 175.281 174.900 -0.110 0.000 1.349 468 G CA -0.173 44.863 45.100 -0.107 0.000 0.847 468 G HN 0.207 nan 8.290 nan 0.000 0.548 469 L N 0.990 122.208 121.223 -0.008 0.000 2.291 469 L HA -0.043 4.295 4.340 -0.004 0.000 0.214 469 L C 3.167 180.063 176.870 0.043 0.000 1.120 469 L CA 1.955 56.859 54.840 0.107 0.000 0.799 469 L CB -0.439 41.746 42.059 0.210 0.000 0.925 469 L HN 0.906 nan 8.230 nan 0.000 0.446 470 S N 0.039 115.727 115.700 -0.020 0.000 2.442 470 S HA -0.168 4.300 4.470 -0.004 0.000 0.236 470 S C 2.146 176.690 174.600 -0.093 0.000 1.007 470 S CA 0.770 58.956 58.200 -0.025 0.000 0.965 470 S CB -0.324 62.858 63.200 -0.030 0.000 0.773 470 S HN 0.361 nan 8.310 nan 0.000 0.504 471 A N 1.187 123.874 122.820 -0.222 0.000 1.986 471 A HA 0.026 4.343 4.320 -0.004 0.000 0.220 471 A C 1.702 179.085 177.584 -0.336 0.000 1.171 471 A CA 1.337 53.161 52.037 -0.355 0.000 0.640 471 A CB -1.063 17.602 19.000 -0.558 0.000 0.811 471 A HN 0.694 nan 8.150 nan 0.000 0.451 472 F N -0.311 119.674 119.950 0.058 0.000 2.797 472 F HA 0.097 4.622 4.527 -0.004 0.000 0.302 472 F C 1.693 177.553 175.800 0.100 0.000 1.130 472 F CA 0.535 58.590 58.000 0.093 0.000 1.387 472 F CB 0.393 39.492 39.000 0.166 0.000 1.107 472 F HN 0.309 nan 8.300 nan 0.000 0.577 473 S N -0.892 114.916 115.700 0.180 0.000 3.053 473 S HA 0.275 4.743 4.470 -0.004 0.000 0.255 473 S C -0.146 174.505 174.600 0.087 0.000 0.976 473 S CA -0.487 57.797 58.200 0.141 0.000 1.159 473 S CB -0.692 62.574 63.200 0.110 0.000 1.110 473 S HN 0.065 nan 8.310 nan 0.000 0.633 474 L N 4.279 125.514 121.223 0.020 0.000 2.456 474 L HA 0.425 4.763 4.340 -0.004 0.000 0.272 474 L C 0.682 177.522 176.870 -0.051 0.000 1.189 474 L CA -0.001 54.787 54.840 -0.087 0.000 0.846 474 L CB 0.191 42.036 42.059 -0.357 0.000 1.111 474 L HN 0.598 nan 8.230 nan 0.000 0.475 475 H N 0.043 118.931 119.070 -0.304 0.000 2.990 475 H HA 0.292 4.846 4.556 -0.003 0.000 0.343 475 H C -0.299 174.893 175.328 -0.226 0.000 1.270 475 H CA -1.380 54.579 56.048 -0.149 0.000 1.118 475 H CB 1.350 31.094 29.762 -0.031 0.000 1.861 475 H HN 0.483 nan 8.280 nan 0.000 0.544 476 S N -0.047 115.337 115.700 -0.527 0.000 3.608 476 S HA -0.206 4.262 4.470 -0.004 0.000 0.382 476 S C -0.398 174.036 174.600 -0.277 0.000 0.945 476 S CA 0.490 58.429 58.200 -0.435 0.000 1.256 476 S CB -2.583 60.206 63.200 -0.685 0.000 0.913 476 S HN 0.516 nan 8.310 nan 0.000 0.518 477 Y N 1.772 122.011 120.300 -0.102 0.000 2.335 477 Y HA 0.305 4.853 4.550 -0.003 0.000 0.348 477 Y C 1.432 177.345 175.900 0.021 0.000 1.280 477 Y CA 0.413 58.506 58.100 -0.012 0.000 1.504 477 Y CB 0.367 38.834 38.460 0.012 0.000 1.366 477 Y HN 0.519 nan 8.280 nan 0.000 0.621 478 S N 2.154 117.995 115.700 0.234 0.000 2.585 478 S HA 0.133 4.601 4.470 -0.004 0.000 0.273 478 S C -1.823 172.845 174.600 0.113 0.000 1.339 478 S CA -1.101 57.178 58.200 0.131 0.000 1.028 478 S CB 1.206 64.466 63.200 0.100 0.000 0.906 478 S HN 0.511 nan 8.310 nan 0.000 0.528 479 P HA 0.046 nan 4.420 nan 0.000 0.219 479 P C 1.635 178.964 177.300 0.047 0.000 1.150 479 P CA 1.495 64.630 63.100 0.059 0.000 0.814 479 P CB -0.592 31.135 31.700 0.046 0.000 0.787 480 G N 0.597 109.422 108.800 0.042 0.000 2.418 480 G HA2 -0.277 3.681 3.960 -0.004 0.000 0.217 480 G HA3 -0.277 3.681 3.960 -0.004 0.000 0.217 480 G C 1.698 176.615 174.900 0.028 0.000 1.158 480 G CA 0.961 46.077 45.100 0.026 0.000 0.771 480 G HN 0.287 nan 8.290 nan 0.000 0.545 481 E N 0.618 120.851 120.200 0.056 0.000 2.047 481 E HA -0.053 4.295 4.350 -0.004 0.000 0.191 481 E C 2.422 179.048 176.600 0.043 0.000 0.987 481 E CA 0.824 57.265 56.400 0.069 0.000 0.799 481 E CB -0.399 29.393 29.700 0.155 0.000 0.752 481 E HN 0.484 nan 8.360 nan 0.000 0.449 482 I N 0.655 121.255 120.570 0.051 0.000 2.163 482 I HA -0.322 3.846 4.170 -0.004 0.000 0.243 482 I C 2.232 178.357 176.117 0.015 0.000 1.085 482 I CA 1.574 62.890 61.300 0.027 0.000 1.347 482 I CB -0.479 37.550 38.000 0.048 0.000 1.044 482 I HN 0.222 nan 8.210 nan 0.000 0.408 483 N N 0.247 118.957 118.700 0.018 0.000 2.037 483 N HA -0.299 4.439 4.740 -0.004 0.000 0.196 483 N C 2.025 177.529 175.510 -0.009 0.000 1.034 483 N CA 1.669 54.724 53.050 0.007 0.000 0.861 483 N CB -0.181 38.310 38.487 0.008 0.000 1.039 483 N HN 0.242 nan 8.380 nan 0.000 0.427 484 R N 0.774 121.262 120.500 -0.019 0.000 2.075 484 R HA -0.076 4.262 4.340 -0.004 0.000 0.232 484 R C 1.960 178.216 176.300 -0.072 0.000 1.126 484 R CA 0.998 57.070 56.100 -0.048 0.000 0.963 484 R CB -0.197 30.066 30.300 -0.061 0.000 0.858 484 R HN 0.045 nan 8.270 nan 0.000 0.435 485 V N 1.112 120.988 119.914 -0.064 0.000 2.295 485 V HA -0.232 3.886 4.120 -0.004 0.000 0.246 485 V C 2.487 178.558 176.094 -0.039 0.000 1.049 485 V CA 1.927 64.182 62.300 -0.075 0.000 1.024 485 V CB -0.751 31.055 31.823 -0.029 0.000 0.648 485 V HN 0.568 nan 8.190 nan 0.000 0.447 486 A N -0.336 122.476 122.820 -0.014 0.000 1.883 486 A HA -0.235 4.083 4.320 -0.004 0.000 0.217 486 A C 2.489 180.074 177.584 0.002 0.000 1.186 486 A CA 2.462 54.502 52.037 0.006 0.000 0.624 486 A CB -0.801 18.207 19.000 0.012 0.000 0.822 486 A HN 0.514 nan 8.150 nan 0.000 0.444 487 S N -1.344 114.350 115.700 -0.010 0.000 2.383 487 S HA -0.195 4.273 4.470 -0.004 0.000 0.227 487 S C 2.038 176.629 174.600 -0.015 0.000 1.026 487 S CA 1.206 59.400 58.200 -0.010 0.000 0.981 487 S CB -0.848 62.342 63.200 -0.016 0.000 0.818 487 S HN 0.804 nan 8.310 nan 0.000 0.472 488 C N 1.992 121.269 119.300 -0.039 0.000 2.446 488 C HA 0.062 4.519 4.460 -0.004 0.000 0.277 488 C C 2.392 177.372 174.990 -0.017 0.000 1.275 488 C CA 0.383 59.371 59.018 -0.050 0.000 1.727 488 C CB -1.602 26.069 27.740 -0.115 0.000 2.010 488 C HN 0.565 nan 8.230 nan 0.000 0.486 489 L N 0.271 121.493 121.223 -0.002 0.000 2.046 489 L HA -0.114 4.224 4.340 -0.004 0.000 0.208 489 L C 3.032 179.933 176.870 0.051 0.000 1.077 489 L CA 1.742 56.606 54.840 0.039 0.000 0.747 489 L CB -0.852 41.249 42.059 0.070 0.000 0.896 489 L HN 0.328 nan 8.230 nan 0.000 0.432 490 R N 0.377 120.901 120.500 0.040 0.000 2.070 490 R HA -0.200 4.138 4.340 -0.004 0.000 0.233 490 R C 2.414 178.752 176.300 0.062 0.000 1.137 490 R CA 1.714 57.843 56.100 0.047 0.000 0.945 490 R CB -0.222 30.098 30.300 0.033 0.000 0.845 490 R HN 0.209 nan 8.270 nan 0.000 0.430 491 K N 0.664 121.090 120.400 0.044 0.000 2.034 491 K HA -0.178 4.140 4.320 -0.004 0.000 0.214 491 K C 1.781 178.430 176.600 0.081 0.000 1.051 491 K CA 1.604 57.920 56.287 0.048 0.000 0.931 491 K CB -0.108 32.406 32.500 0.023 0.000 0.715 491 K HN 0.161 nan 8.250 nan 0.000 0.446 492 L N -0.638 120.629 121.223 0.073 0.000 2.509 492 L HA 0.125 4.463 4.340 -0.004 0.000 0.222 492 L C 0.918 177.844 176.870 0.095 0.000 1.123 492 L CA 0.417 55.311 54.840 0.090 0.000 0.856 492 L CB 0.162 42.258 42.059 0.061 0.000 0.985 492 L HN 0.644 nan 8.230 nan 0.000 0.456 493 G N 0.984 109.833 108.800 0.081 0.000 2.225 493 G HA2 -0.228 3.729 3.960 -0.004 0.000 0.264 493 G HA3 -0.228 3.729 3.960 -0.004 0.000 0.264 493 G C 0.040 174.944 174.900 0.006 0.000 1.060 493 G CA 0.089 45.184 45.100 -0.007 0.000 0.833 493 G HN 0.099 nan 8.290 nan 0.000 0.498 494 V N 0.609 120.571 119.914 0.080 0.000 2.583 494 V HA 0.372 4.490 4.120 -0.004 0.000 0.287 494 V C -1.111 175.105 176.094 0.204 0.000 1.051 494 V CA -1.520 60.886 62.300 0.177 0.000 1.010 494 V CB 1.188 33.135 31.823 0.207 0.000 0.988 494 V HN 0.195 nan 8.190 nan 0.000 0.478 495 P HA 0.082 nan 4.420 nan 0.000 0.265 495 P C -2.383 175.047 177.300 0.217 0.000 1.187 495 P CA -0.592 62.569 63.100 0.100 0.000 0.766 495 P CB -0.267 31.350 31.700 -0.137 0.000 0.820 496 P HA 0.028 nan 4.420 nan 0.000 0.271 496 P C 0.955 178.385 177.300 0.216 0.000 1.244 496 P CA 0.039 63.214 63.100 0.126 0.000 0.793 496 P CB 0.707 32.424 31.700 0.027 0.000 0.984 497 L N -0.314 121.049 121.223 0.234 0.000 2.131 497 L HA -0.157 4.181 4.340 -0.004 0.000 0.210 497 L C 2.907 179.956 176.870 0.298 0.000 1.092 497 L CA 1.290 56.317 54.840 0.311 0.000 0.759 497 L CB -0.630 41.541 42.059 0.186 0.000 0.903 497 L HN 0.463 nan 8.230 nan 0.000 0.435 498 R N 0.207 120.768 120.500 0.102 0.000 2.094 498 R HA -0.181 4.156 4.340 -0.004 0.000 0.239 498 R C 2.185 178.256 176.300 -0.381 0.000 1.137 498 R CA 1.827 57.899 56.100 -0.048 0.000 0.943 498 R CB -0.528 29.692 30.300 -0.133 0.000 0.850 498 R HN 0.219 nan 8.270 nan 0.000 0.433 499 V N -0.710 118.861 119.914 -0.571 0.000 2.407 499 V HA -0.250 3.868 4.120 -0.004 0.000 0.248 499 V C 1.936 176.166 176.094 -3.106 0.000 1.055 499 V CA 1.776 63.315 62.300 -1.268 0.000 1.049 499 V CB -0.551 30.919 31.823 -0.587 0.000 0.662 499 V HN 0.431 nan 8.190 nan 0.000 0.455 500 W N 0.306 121.499 121.300 -0.178 0.000 2.409 500 W HA -0.086 4.571 4.660 -0.005 0.000 0.299 500 W C 2.684 178.160 176.519 -1.740 0.000 1.203 500 W CA 1.414 57.668 57.345 -1.818 0.000 1.298 500 W CB -0.363 28.908 29.460 -0.315 0.000 1.127 500 W HN 0.097 nan 8.180 nan 0.000 0.528 501 R N 0.896 122.581 120.500 1.974 0.000 2.127 501 R HA -0.306 4.031 4.340 -0.004 0.000 0.228 501 R C 2.502 181.661 176.300 4.765 0.000 1.125 501 R CA 2.658 60.396 56.100 2.731 0.000 0.904 501 R CB -1.423 29.648 30.300 1.284 0.000 0.831 501 R HN 0.319 nan 8.270 nan 0.000 0.431 502 H N 0.316 119.474 119.070 0.147 0.000 1.759 502 H HA -0.328 4.226 4.556 -0.004 0.000 0.158 502 H C 1.851 177.179 175.328 0.000 0.000 1.168 502 H CA 2.611 58.686 56.048 0.045 0.000 1.724 502 H CB -1.302 28.499 29.762 0.064 0.000 2.061 502 H HN 0.431 nan 8.280 nan 0.000 0.875 503 R N 1.107 118.408 120.500 -5.332 0.000 2.105 503 R HA 0.010 4.347 4.340 -0.004 0.000 0.239 503 R C 2.867 178.205 176.300 -1.603 0.000 1.135 503 R CA 1.641 56.060 56.100 -2.801 0.000 0.967 503 R CB -0.437 28.966 30.300 -1.495 0.000 0.861 503 R HN 0.602 nan 8.270 nan 0.000 0.442 504 A N 0.886 122.918 122.820 -1.314 0.000 1.969 504 A HA -0.145 4.173 4.320 -0.004 0.000 0.218 504 A C 1.959 179.272 177.584 -0.451 0.000 1.169 504 A CA 1.037 52.775 52.037 -0.498 0.000 0.635 504 A CB -0.280 18.740 19.000 0.033 0.000 0.810 504 A HN 0.255 nan 8.150 nan 0.000 0.445 505 R N -0.473 119.889 120.500 -0.230 0.000 2.096 505 R HA -0.095 4.242 4.340 -0.004 0.000 0.235 505 R C 2.539 178.635 176.300 -0.340 0.000 1.127 505 R CA 1.477 57.425 56.100 -0.253 0.000 0.968 505 R CB -0.403 29.801 30.300 -0.159 0.000 0.861 505 R HN 0.567 nan 8.270 nan 0.000 0.440 506 S N 0.428 115.868 115.700 -0.432 0.000 2.387 506 S HA -0.058 4.410 4.470 -0.004 0.000 0.226 506 S C 2.078 176.466 174.600 -0.354 0.000 1.026 506 S CA 0.789 58.775 58.200 -0.358 0.000 0.972 506 S CB -0.040 62.939 63.200 -0.369 0.000 0.814 506 S HN 0.094 nan 8.310 nan 0.000 0.477 507 V N 2.438 122.071 119.914 -0.468 0.000 2.295 507 V HA -0.140 3.978 4.120 -0.004 0.000 0.246 507 V C 2.760 178.541 176.094 -0.522 0.000 1.049 507 V CA 2.269 64.274 62.300 -0.492 0.000 1.024 507 V CB -0.829 30.589 31.823 -0.675 0.000 0.648 507 V HN 0.538 nan 8.190 nan 0.000 0.447 508 R N 0.191 120.319 120.500 -0.620 0.000 2.105 508 R HA -0.185 4.153 4.340 -0.004 0.000 0.239 508 R C 2.218 178.371 176.300 -0.245 0.000 1.135 508 R CA 1.712 57.556 56.100 -0.427 0.000 0.967 508 R CB -0.417 29.676 30.300 -0.345 0.000 0.861 508 R HN 0.501 nan 8.270 nan 0.000 0.442 509 A N 0.592 123.273 122.820 -0.233 0.000 1.898 509 A HA -0.135 4.183 4.320 -0.004 0.000 0.216 509 A C 2.156 179.666 177.584 -0.123 0.000 1.181 509 A CA 1.362 53.304 52.037 -0.158 0.000 0.620 509 A CB -0.356 18.554 19.000 -0.150 0.000 0.819 509 A HN 0.279 nan 8.150 nan 0.000 0.442 510 R N -0.353 120.068 120.500 -0.132 0.000 2.073 510 R HA -0.019 4.319 4.340 -0.004 0.000 0.234 510 R C 2.076 178.342 176.300 -0.056 0.000 1.134 510 R CA 1.499 57.549 56.100 -0.084 0.000 0.952 510 R CB -0.671 29.584 30.300 -0.075 0.000 0.850 510 R HN 0.554 nan 8.270 nan 0.000 0.433 511 L N -0.142 121.042 121.223 -0.065 0.000 1.990 511 L HA -0.256 4.082 4.340 -0.004 0.000 0.213 511 L C 2.018 178.878 176.870 -0.017 0.000 1.072 511 L CA 1.177 56.007 54.840 -0.016 0.000 0.755 511 L CB -0.554 41.493 42.059 -0.020 0.000 0.889 511 L HN 0.162 nan 8.230 nan 0.000 0.432 512 L N -0.832 120.363 121.223 -0.046 0.000 2.083 512 L HA -0.167 4.170 4.340 -0.004 0.000 0.209 512 L C 2.635 179.486 176.870 -0.031 0.000 1.083 512 L CA 1.519 56.335 54.840 -0.040 0.000 0.752 512 L CB -0.906 41.117 42.059 -0.061 0.000 0.899 512 L HN 0.110 nan 8.230 nan 0.000 0.433 513 S N -1.103 114.575 115.700 -0.037 0.000 2.423 513 S HA -0.156 4.312 4.470 -0.004 0.000 0.231 513 S C 1.842 176.432 174.600 -0.016 0.000 1.014 513 S CA 0.735 58.917 58.200 -0.029 0.000 0.965 513 S CB -0.184 62.995 63.200 -0.036 0.000 0.785 513 S HN 0.502 nan 8.310 nan 0.000 0.495 514 Q N 0.470 120.264 119.800 -0.009 0.000 2.291 514 Q HA 0.119 4.457 4.340 -0.004 0.000 0.205 514 Q C 1.337 177.342 176.000 0.009 0.000 0.970 514 Q CA 0.627 56.432 55.803 0.004 0.000 0.876 514 Q CB -0.358 28.391 28.738 0.018 0.000 0.935 514 Q HN 0.569 nan 8.270 nan 0.000 0.455 515 G N -0.293 108.510 108.800 0.006 0.000 2.855 515 G HA2 -0.094 3.864 3.960 -0.004 0.000 0.352 515 G HA3 -0.094 3.864 3.960 -0.004 0.000 0.352 515 G C 0.391 175.303 174.900 0.020 0.000 1.415 515 G CA -0.199 44.906 45.100 0.008 0.000 0.871 515 G HN 0.717 nan 8.290 nan 0.000 0.543 516 G N -0.665 108.147 108.800 0.020 0.000 2.550 516 G HA2 -0.226 3.732 3.960 -0.004 0.000 0.277 516 G HA3 -0.226 3.732 3.960 -0.004 0.000 0.277 516 G C 1.186 176.108 174.900 0.037 0.000 1.190 516 G CA 1.291 46.407 45.100 0.026 0.000 0.971 516 G HN 1.513 nan 8.290 nan 0.000 0.559 517 R N 0.605 121.131 120.500 0.043 0.000 2.148 517 R HA 0.169 4.507 4.340 -0.004 0.000 0.223 517 R C 3.117 179.464 176.300 0.079 0.000 1.088 517 R CA 1.643 57.776 56.100 0.055 0.000 0.985 517 R CB -0.481 29.852 30.300 0.054 0.000 0.880 517 R HN 0.659 nan 8.270 nan 0.000 0.451 518 A N 1.539 124.408 122.820 0.082 0.000 1.930 518 A HA -0.061 4.257 4.320 -0.004 0.000 0.217 518 A C 2.381 180.013 177.584 0.081 0.000 1.175 518 A CA 1.547 53.648 52.037 0.108 0.000 0.627 518 A CB -0.442 18.612 19.000 0.091 0.000 0.815 518 A HN 0.354 nan 8.150 nan 0.000 0.443 519 A N -1.075 121.774 122.820 0.049 0.000 1.969 519 A HA -0.053 4.265 4.320 -0.004 0.000 0.218 519 A C 2.258 179.864 177.584 0.036 0.000 1.169 519 A CA 2.154 54.207 52.037 0.026 0.000 0.635 519 A CB -1.134 17.873 19.000 0.011 0.000 0.810 519 A HN 0.411 nan 8.150 nan 0.000 0.445 520 T N -0.812 113.781 114.554 0.065 0.000 2.746 520 T HA -0.181 4.167 4.350 -0.004 0.000 0.267 520 T C 1.903 176.670 174.700 0.112 0.000 1.039 520 T CA 1.565 63.736 62.100 0.118 0.000 1.142 520 T CB -0.629 68.293 68.868 0.090 0.000 0.866 520 T HN 0.585 nan 8.240 nan 0.000 0.444 521 C N 1.272 120.616 119.300 0.073 0.000 2.432 521 C HA 0.016 4.473 4.460 -0.004 0.000 0.277 521 C C 3.103 178.114 174.990 0.035 0.000 1.249 521 C CA 0.594 59.629 59.018 0.028 0.000 1.725 521 C CB -1.505 26.292 27.740 0.094 0.000 2.028 521 C HN 0.726 nan 8.230 nan 0.000 0.477 522 G N 0.133 108.974 108.800 0.068 0.000 2.440 522 G HA2 -0.306 3.652 3.960 -0.004 0.000 0.218 522 G HA3 -0.306 3.652 3.960 -0.004 0.000 0.218 522 G C 1.634 176.540 174.900 0.011 0.000 1.154 522 G CA 1.298 46.443 45.100 0.074 0.000 0.767 522 G HN 0.665 nan 8.290 nan 0.000 0.552 523 K N -0.983 119.381 120.400 -0.061 0.000 2.025 523 K HA -0.040 4.278 4.320 -0.004 0.000 0.207 523 K C 2.161 178.550 176.600 -0.352 0.000 1.049 523 K CA 1.087 57.247 56.287 -0.211 0.000 0.933 523 K CB -0.237 32.103 32.500 -0.266 0.000 0.714 523 K HN 0.433 nan 8.250 nan 0.000 0.438 524 Y N 0.511 120.630 120.300 -0.301 0.000 2.266 524 Y HA 0.066 4.614 4.550 -0.004 0.000 0.294 524 Y C 2.012 177.633 175.900 -0.465 0.000 1.127 524 Y CA 0.533 58.274 58.100 -0.598 0.000 1.140 524 Y CB 0.047 37.844 38.460 -1.105 0.000 1.071 524 Y HN -0.095 nan 8.280 nan 0.000 0.525 525 L N -1.469 119.606 121.223 -0.246 0.000 2.131 525 L HA -0.159 4.179 4.340 -0.004 0.000 0.210 525 L C 0.723 177.303 176.870 -0.484 0.000 1.092 525 L CA 1.571 56.208 54.840 -0.340 0.000 0.759 525 L CB -0.395 41.243 42.059 -0.701 0.000 0.903 525 L HN 0.223 nan 8.230 nan 0.000 0.435 526 F N -1.663 118.216 119.950 -0.117 0.000 2.764 526 F HA 0.190 4.715 4.527 -0.004 0.000 0.310 526 F C 1.752 177.264 175.800 -0.479 0.000 1.124 526 F CA -0.246 57.492 58.000 -0.437 0.000 1.252 526 F CB -0.396 38.342 39.000 -0.436 0.000 1.010 526 F HN 0.006 nan 8.300 nan 0.000 0.518 527 N N 1.310 119.947 118.700 -0.106 0.000 2.272 527 N HA -0.181 4.557 4.740 -0.004 0.000 0.185 527 N C 1.973 177.493 175.510 0.017 0.000 1.014 527 N CA 1.662 54.673 53.050 -0.064 0.000 0.870 527 N CB -0.094 38.372 38.487 -0.035 0.000 0.975 527 N HN 0.606 nan 8.380 nan 0.000 0.433 528 W N 0.613 121.987 121.300 0.123 0.000 2.374 528 W HA -0.032 4.626 4.660 -0.004 0.000 0.288 528 W C 1.644 178.284 176.519 0.202 0.000 1.218 528 W CA 0.773 58.211 57.345 0.156 0.000 1.245 528 W CB -0.792 28.768 29.460 0.167 0.000 1.126 528 W HN -0.033 nan 8.180 nan 0.000 0.545 529 A N 1.791 124.302 122.820 -0.515 0.000 1.930 529 A HA -0.012 4.306 4.320 -0.004 0.000 0.215 529 A C 2.315 179.850 177.584 -0.081 0.000 1.176 529 A CA 2.470 54.252 52.037 -0.426 0.000 0.632 529 A CB -0.966 17.524 19.000 -0.851 0.000 0.819 529 A HN 0.188 nan 8.150 nan 0.000 0.445 530 V N -2.029 117.822 119.914 -0.106 0.000 2.239 530 V HA 0.234 4.352 4.120 -0.004 0.000 0.242 530 V C 0.801 176.900 176.094 0.008 0.000 1.038 530 V CA 1.820 64.089 62.300 -0.053 0.000 1.002 530 V CB -0.891 30.888 31.823 -0.074 0.000 0.641 530 V HN 0.661 nan 8.190 nan 0.000 0.449 531 K N 0.000 120.417 120.400 0.028 0.000 2.780 531 K HA 0.000 4.318 4.320 -0.004 0.000 0.191 531 K CA 0.000 56.321 56.287 0.056 0.000 0.838 531 K CB 0.000 32.516 32.500 0.027 0.000 1.064 531 K HN 0.000 nan 8.250 nan 0.000 0.543