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 2fvc_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 VVICESAGVQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS 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 0.000 174.581 174.600 -0.031 0.000 1.055 1 S CA 0.000 58.186 58.200 -0.023 0.000 1.107 1 S CB 0.000 63.179 63.200 -0.034 0.000 0.593 2 M N 4.040 123.614 119.600 -0.044 0.000 2.217 2 M HA 0.237 4.716 4.480 -0.001 0.000 0.354 2 M C 1.925 178.124 176.300 -0.167 0.000 1.225 2 M CA 0.028 55.289 55.300 -0.064 0.000 1.137 2 M CB 0.663 33.241 32.600 -0.037 0.000 1.576 2 M HN 0.892 nan 8.290 nan 0.000 0.461 3 S N 2.820 118.359 115.700 -0.268 0.000 2.383 3 S HA -0.099 4.371 4.470 -0.001 0.000 0.229 3 S C 0.139 174.326 174.600 -0.689 0.000 1.030 3 S CA 1.014 58.920 58.200 -0.490 0.000 1.002 3 S CB -0.191 62.629 63.200 -0.633 0.000 0.829 3 S HN 0.650 nan 8.310 nan 0.000 0.467 4 Y N 0.490 120.610 120.300 -0.299 0.000 2.597 4 Y HA 0.563 5.113 4.550 -0.001 0.000 0.340 4 Y C -0.280 175.292 175.900 -0.547 0.000 1.097 4 Y CA -0.875 56.912 58.100 -0.522 0.000 1.037 4 Y CB 1.987 39.953 38.460 -0.822 0.000 1.305 4 Y HN 0.126 nan 8.280 nan 0.000 0.463 5 T N -2.283 111.972 114.554 -0.498 0.000 2.921 5 T HA 0.645 4.995 4.350 -0.001 0.000 0.297 5 T C -1.436 172.991 174.700 -0.454 0.000 1.013 5 T CA -0.815 61.089 62.100 -0.327 0.000 0.990 5 T CB 0.857 69.656 68.868 -0.114 0.000 1.023 5 T HN 0.529 nan 8.240 nan 0.000 0.447 6 W N 1.255 122.607 121.300 0.086 0.000 2.706 6 W HA 0.514 5.174 4.660 -0.001 0.000 0.346 6 W C 1.520 178.066 176.519 0.044 0.000 1.071 6 W CA -0.700 56.680 57.345 0.058 0.000 1.206 6 W CB 1.971 31.448 29.460 0.028 0.000 1.413 6 W HN 0.883 nan 8.180 nan 0.000 0.542 7 T N -2.606 112.128 114.554 0.300 0.000 3.044 7 T HA 0.327 4.677 4.350 -0.001 0.000 0.255 7 T C 1.399 176.184 174.700 0.142 0.000 1.073 7 T CA 0.935 63.138 62.100 0.171 0.000 1.125 7 T CB 0.024 68.971 68.868 0.131 0.000 0.908 7 T HN 1.176 nan 8.240 nan 0.000 0.480 8 G N 1.187 110.078 108.800 0.152 0.000 2.255 8 G HA2 0.097 4.056 3.960 -0.001 0.000 0.196 8 G HA3 0.097 4.056 3.960 -0.001 0.000 0.196 8 G C 0.324 175.247 174.900 0.039 0.000 0.998 8 G CA -0.157 44.986 45.100 0.072 0.000 0.656 8 G HN 1.047 nan 8.290 nan 0.000 0.490 9 A N 1.133 123.990 122.820 0.063 0.000 2.477 9 A HA 0.649 4.968 4.320 -0.001 0.000 0.246 9 A C 0.830 178.418 177.584 0.007 0.000 1.078 9 A CA 0.155 52.215 52.037 0.038 0.000 0.770 9 A CB 0.143 19.177 19.000 0.055 0.000 1.011 9 A HN 0.854 nan 8.150 nan 0.000 0.494 10 L N 2.027 123.239 121.223 -0.017 0.000 2.453 10 L HA 0.271 4.610 4.340 -0.001 0.000 0.261 10 L C 0.150 176.995 176.870 -0.042 0.000 1.179 10 L CA -0.248 54.561 54.840 -0.052 0.000 0.813 10 L CB 0.473 42.507 42.059 -0.042 0.000 1.110 10 L HN 0.546 nan 8.230 nan 0.000 0.466 11 I N 1.424 121.950 120.570 -0.073 0.000 2.337 11 I HA 0.108 4.277 4.170 -0.001 0.000 0.291 11 I C 0.512 176.615 176.117 -0.023 0.000 1.046 11 I CA -0.094 61.178 61.300 -0.045 0.000 1.324 11 I CB 0.919 38.873 38.000 -0.077 0.000 1.409 11 I HN 0.674 nan 8.210 nan 0.000 0.494 12 T N 4.179 118.731 114.554 -0.003 0.000 2.943 12 T HA 0.583 4.932 4.350 -0.001 0.000 0.284 12 T C -2.570 172.141 174.700 0.019 0.000 1.015 12 T CA -2.128 59.976 62.100 0.006 0.000 1.042 12 T CB 1.730 70.602 68.868 0.006 0.000 1.055 12 T HN 0.163 nan 8.240 nan 0.000 0.500 13 P HA 0.315 nan 4.420 nan 0.000 0.276 13 P C 0.505 177.825 177.300 0.034 0.000 1.252 13 P CA -0.825 62.295 63.100 0.033 0.000 0.802 13 P CB 0.356 32.075 31.700 0.033 0.000 1.035 14 C N -0.656 118.669 119.300 0.041 0.000 3.104 14 C HA 0.867 5.326 4.460 -0.001 0.000 0.284 14 C C 0.449 175.460 174.990 0.034 0.000 1.326 14 C CA -0.131 58.910 59.018 0.039 0.000 1.725 14 C CB -1.332 26.440 27.740 0.053 0.000 2.156 14 C HN 0.635 nan 8.230 nan 0.000 0.638 15 A N 0.158 123.000 122.820 0.036 0.000 2.456 15 A HA 0.758 5.077 4.320 -0.001 0.000 0.294 15 A C -0.575 177.034 177.584 0.042 0.000 1.057 15 A CA -0.019 52.040 52.037 0.037 0.000 0.623 15 A CB -0.470 18.553 19.000 0.040 0.000 1.338 15 A HN 1.578 nan 8.150 nan 0.000 0.464 16 A N 0.029 122.876 122.820 0.045 0.000 2.511 16 A HA 0.536 4.855 4.320 -0.001 0.000 0.242 16 A C 0.009 177.634 177.584 0.069 0.000 1.069 16 A CA 0.471 52.540 52.037 0.053 0.000 0.763 16 A CB -0.262 18.769 19.000 0.050 0.000 1.001 16 A HN 0.587 nan 8.150 nan 0.000 0.498 17 E N 1.428 121.673 120.200 0.076 0.000 2.187 17 E HA 0.344 4.693 4.350 -0.001 0.000 0.268 17 E C -0.994 175.687 176.600 0.134 0.000 0.896 17 E CA -0.420 56.039 56.400 0.099 0.000 0.766 17 E CB 1.814 31.563 29.700 0.081 0.000 1.142 17 E HN 0.746 nan 8.360 nan 0.000 0.408 18 E N 0.978 121.301 120.200 0.205 0.000 2.191 18 E HA 0.171 4.520 4.350 -0.001 0.000 0.278 18 E C 0.151 176.980 176.600 0.381 0.000 0.972 18 E CA -0.178 56.388 56.400 0.277 0.000 0.804 18 E CB 1.526 31.433 29.700 0.343 0.000 1.110 18 E HN 0.560 nan 8.360 nan 0.000 0.394 19 S N 2.534 118.430 115.700 0.328 0.000 2.564 19 S HA 0.071 4.540 4.470 -0.001 0.000 0.231 19 S C 0.700 175.562 174.600 0.437 0.000 1.067 19 S CA -0.159 58.258 58.200 0.362 0.000 0.908 19 S CB 0.299 63.642 63.200 0.239 0.000 0.809 19 S HN 0.282 nan 8.310 nan 0.000 0.491 20 K N 1.448 122.016 120.400 0.281 0.000 2.218 20 K HA 0.345 4.665 4.320 -0.001 0.000 0.276 20 K C -0.668 175.942 176.600 0.017 0.000 1.022 20 K CA -0.810 55.587 56.287 0.184 0.000 0.946 20 K CB 0.695 33.248 32.500 0.088 0.000 1.000 20 K HN 0.254 nan 8.250 nan 0.000 0.468 21 L N 6.922 128.151 121.223 0.010 0.000 2.615 21 L HA 0.113 4.452 4.340 -0.001 0.000 0.271 21 L C -2.355 174.242 176.870 -0.454 0.000 1.183 21 L CA -0.779 53.883 54.840 -0.297 0.000 0.933 21 L CB 0.120 42.154 42.059 -0.041 0.000 1.199 21 L HN 0.523 nan 8.230 nan 0.000 0.487 22 P HA 0.211 nan 4.420 nan 0.000 0.271 22 P C -0.991 176.068 177.300 -0.402 0.000 1.216 22 P CA 0.016 62.805 63.100 -0.519 0.000 0.776 22 P CB 0.605 31.928 31.700 -0.628 0.000 0.881 23 I N 2.852 123.249 120.570 -0.289 0.000 2.509 23 I HA 0.406 4.575 4.170 -0.001 0.000 0.293 23 I C 0.271 176.286 176.117 -0.171 0.000 1.020 23 I CA -0.685 60.456 61.300 -0.265 0.000 1.088 23 I CB 1.680 39.524 38.000 -0.260 0.000 1.267 23 I HN 0.475 nan 8.210 nan 0.000 0.430 24 N N 3.774 122.390 118.700 -0.139 0.000 3.229 24 N HA 0.463 5.203 4.740 -0.001 0.000 0.315 24 N C 0.348 175.826 175.510 -0.055 0.000 1.520 24 N CA -0.467 52.530 53.050 -0.088 0.000 0.769 24 N CB 0.624 39.058 38.487 -0.088 0.000 1.766 24 N HN 0.405 nan 8.380 nan 0.000 0.618 25 A N -0.603 122.195 122.820 -0.036 0.000 2.121 25 A HA 0.106 4.425 4.320 -0.001 0.000 0.218 25 A C 1.669 179.249 177.584 -0.007 0.000 1.154 25 A CA 0.890 52.916 52.037 -0.018 0.000 0.679 25 A CB -0.940 18.049 19.000 -0.018 0.000 0.795 25 A HN 0.545 nan 8.150 nan 0.000 0.458 26 L N -1.307 119.912 121.223 -0.007 0.000 2.477 26 L HA 0.012 4.352 4.340 -0.001 0.000 0.220 26 L C 2.484 179.392 176.870 0.064 0.000 1.106 26 L CA 0.505 55.360 54.840 0.025 0.000 0.851 26 L CB -0.210 41.854 42.059 0.007 0.000 0.994 26 L HN 0.228 nan 8.230 nan 0.000 0.462 27 S N 0.751 116.460 115.700 0.014 0.000 2.359 27 S HA -0.190 4.279 4.470 -0.001 0.000 0.223 27 S C 1.699 176.348 174.600 0.080 0.000 1.039 27 S CA 1.684 59.884 58.200 0.001 0.000 1.042 27 S CB -0.358 62.756 63.200 -0.143 0.000 0.915 27 S HN 0.473 nan 8.310 nan 0.000 0.439 28 N N 1.526 120.294 118.700 0.113 0.000 2.364 28 N HA -0.072 4.668 4.740 -0.001 0.000 0.183 28 N C 1.851 177.398 175.510 0.062 0.000 1.022 28 N CA 1.268 54.397 53.050 0.131 0.000 0.883 28 N CB -0.508 38.039 38.487 0.101 0.000 0.965 28 N HN 0.615 nan 8.380 nan 0.000 0.438 29 S N -0.329 115.402 115.700 0.052 0.000 2.453 29 S HA -0.035 4.434 4.470 -0.001 0.000 0.231 29 S C 1.766 176.399 174.600 0.055 0.000 1.005 29 S CA 0.387 58.596 58.200 0.015 0.000 0.949 29 S CB -0.067 63.159 63.200 0.043 0.000 0.774 29 S HN 0.229 nan 8.310 nan 0.000 0.510 30 L N -0.247 121.023 121.223 0.078 0.000 2.433 30 L HA 0.610 4.949 4.340 -0.001 0.000 0.200 30 L C 0.059 176.989 176.870 0.099 0.000 1.059 30 L CA 0.694 55.583 54.840 0.082 0.000 0.835 30 L CB 0.277 42.141 42.059 -0.325 0.000 1.076 30 L HN 0.480 nan 8.230 nan 0.000 0.481 31 L N -0.869 120.401 121.223 0.079 0.000 2.493 31 L HA 0.408 4.748 4.340 -0.001 0.000 0.265 31 L C 0.346 177.295 176.870 0.132 0.000 0.954 31 L CA -0.400 54.489 54.840 0.082 0.000 0.844 31 L CB 1.762 43.882 42.059 0.103 0.000 1.302 31 L HN 0.005 nan 8.230 nan 0.000 0.405 32 R N 1.031 121.498 120.500 -0.055 0.000 2.225 32 R HA 0.187 4.526 4.340 -0.001 0.000 0.194 32 R C 0.080 176.227 176.300 -0.255 0.000 0.957 32 R CA 0.179 56.165 56.100 -0.190 0.000 1.042 32 R CB 0.213 30.416 30.300 -0.161 0.000 1.004 32 R HN 0.635 nan 8.270 nan 0.000 0.509 33 H N 0.578 119.593 119.070 -0.091 0.000 2.768 33 H HA 0.083 4.638 4.556 -0.001 0.000 0.219 33 H C 0.443 175.811 175.328 0.067 0.000 1.898 33 H CA -0.330 55.687 56.048 -0.052 0.000 1.313 33 H CB -0.086 29.683 29.762 0.011 0.000 1.701 33 H HN 0.368 nan 8.280 nan 0.000 0.534 34 H N 0.635 119.798 119.070 0.154 0.000 2.390 34 H HA -0.160 4.396 4.556 -0.001 0.000 0.298 34 H C 1.495 176.897 175.328 0.124 0.000 1.106 34 H CA 0.642 56.756 56.048 0.109 0.000 1.297 34 H CB 0.296 30.097 29.762 0.064 0.000 1.375 34 H HN 0.537 nan 8.280 nan 0.000 0.509 35 N N 0.559 119.391 118.700 0.220 0.000 2.520 35 N HA -0.078 4.661 4.740 -0.001 0.000 0.185 35 N C 1.292 176.909 175.510 0.179 0.000 1.068 35 N CA 0.825 53.974 53.050 0.165 0.000 0.911 35 N CB 0.047 38.590 38.487 0.094 0.000 0.961 35 N HN 0.520 nan 8.380 nan 0.000 0.446 36 M N 0.064 119.787 119.600 0.205 0.000 2.556 36 M HA 0.085 4.564 4.480 -0.001 0.000 0.245 36 M C -0.004 176.472 176.300 0.293 0.000 1.128 36 M CA 0.321 55.751 55.300 0.217 0.000 1.069 36 M CB 0.674 33.392 32.600 0.196 0.000 1.469 36 M HN -0.250 nan 8.290 nan 0.000 0.494 37 V N 0.986 121.082 119.914 0.302 0.000 2.435 37 V HA 0.415 4.535 4.120 -0.001 0.000 0.290 37 V C -0.780 175.566 176.094 0.420 0.000 1.030 37 V CA -0.774 61.713 62.300 0.312 0.000 0.881 37 V CB 0.965 32.945 31.823 0.263 0.000 0.983 37 V HN 0.327 nan 8.190 nan 0.000 0.445 38 Y N 2.379 122.848 120.300 0.282 0.000 2.689 38 Y HA 0.938 5.487 4.550 -0.001 0.000 0.333 38 Y C -0.546 175.480 175.900 0.210 0.000 1.190 38 Y CA -1.511 56.772 58.100 0.305 0.000 1.063 38 Y CB 1.556 40.142 38.460 0.211 0.000 1.294 38 Y HN 0.714 nan 8.280 nan 0.000 0.466 39 A N 1.128 124.057 122.820 0.182 0.000 2.371 39 A HA 0.677 4.996 4.320 -0.001 0.000 0.311 39 A C -0.302 177.379 177.584 0.162 0.000 1.068 39 A CA -0.404 51.532 52.037 -0.168 0.000 0.744 39 A CB 0.683 19.355 19.000 -0.546 0.000 1.239 39 A HN 1.140 nan 8.150 nan 0.000 0.435 40 T N 0.088 114.724 114.554 0.136 0.000 2.918 40 T HA 0.589 4.939 4.350 -0.001 0.000 0.302 40 T C 0.409 175.178 174.700 0.115 0.000 1.045 40 T CA 0.429 62.661 62.100 0.220 0.000 1.114 40 T CB 0.808 69.816 68.868 0.233 0.000 0.965 40 T HN 1.539 nan 8.240 nan 0.000 0.540 41 T N -2.005 112.616 114.554 0.111 0.000 2.838 41 T HA 0.479 4.828 4.350 -0.001 0.000 0.292 41 T C 1.376 176.108 174.700 0.052 0.000 1.113 41 T CA -0.231 61.914 62.100 0.075 0.000 1.008 41 T CB 1.177 70.095 68.868 0.083 0.000 1.259 41 T HN 0.760 nan 8.240 nan 0.000 0.520 42 S N -0.093 115.629 115.700 0.037 0.000 2.469 42 S HA -0.111 4.358 4.470 -0.001 0.000 0.238 42 S C 1.757 176.358 174.600 0.001 0.000 0.998 42 S CA 0.427 58.636 58.200 0.015 0.000 0.957 42 S CB -0.701 62.506 63.200 0.012 0.000 0.764 42 S HN 0.707 nan 8.310 nan 0.000 0.514 43 R N 1.419 121.929 120.500 0.016 0.000 2.193 43 R HA -0.025 4.314 4.340 -0.001 0.000 0.229 43 R C 1.949 178.245 176.300 -0.007 0.000 1.110 43 R CA 1.419 57.522 56.100 0.006 0.000 0.988 43 R CB -0.347 29.965 30.300 0.020 0.000 0.871 43 R HN 0.734 nan 8.270 nan 0.000 0.458 44 S N -1.345 114.354 115.700 -0.001 0.000 2.554 44 S HA 0.251 4.721 4.470 -0.001 0.000 0.226 44 S C 1.665 176.244 174.600 -0.035 0.000 0.980 44 S CA 0.092 58.284 58.200 -0.013 0.000 0.939 44 S CB 1.049 64.255 63.200 0.011 0.000 0.832 44 S HN 0.237 nan 8.310 nan 0.000 0.486 45 A N 1.957 124.748 122.820 -0.049 0.000 2.024 45 A HA 0.153 4.473 4.320 -0.001 0.000 0.220 45 A C 2.190 179.678 177.584 -0.159 0.000 1.164 45 A CA 1.597 53.579 52.037 -0.092 0.000 0.643 45 A CB -1.548 17.393 19.000 -0.098 0.000 0.806 45 A HN 0.656 nan 8.150 nan 0.000 0.451 46 G N -0.118 108.594 108.800 -0.147 0.000 2.418 46 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.217 46 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.217 46 G C 1.519 176.333 174.900 -0.144 0.000 1.158 46 G CA 0.986 45.977 45.100 -0.182 0.000 0.771 46 G HN 0.453 nan 8.290 nan 0.000 0.545 47 L N -0.161 121.010 121.223 -0.087 0.000 2.046 47 L HA -0.042 4.298 4.340 -0.001 0.000 0.208 47 L C 2.901 179.745 176.870 -0.044 0.000 1.077 47 L CA 1.269 56.077 54.840 -0.053 0.000 0.747 47 L CB -0.363 41.675 42.059 -0.034 0.000 0.896 47 L HN 0.159 nan 8.230 nan 0.000 0.432 48 R N 0.627 121.094 120.500 -0.055 0.000 2.075 48 R HA -0.156 4.183 4.340 -0.001 0.000 0.232 48 R C 2.238 178.507 176.300 -0.052 0.000 1.126 48 R CA 1.544 57.625 56.100 -0.031 0.000 0.963 48 R CB -0.444 29.840 30.300 -0.028 0.000 0.858 48 R HN 0.364 nan 8.270 nan 0.000 0.435 49 Q N 0.041 119.735 119.800 -0.175 0.000 2.152 49 Q HA -0.200 4.139 4.340 -0.001 0.000 0.206 49 Q C 1.963 177.935 176.000 -0.046 0.000 0.985 49 Q CA 2.086 57.725 55.803 -0.274 0.000 0.863 49 Q CB -0.117 28.176 28.738 -0.742 0.000 0.904 49 Q HN 0.351 nan 8.270 nan 0.000 0.422 50 K N 0.557 120.937 120.400 -0.033 0.000 2.097 50 K HA -0.105 4.215 4.320 -0.001 0.000 0.205 50 K C 1.960 178.645 176.600 0.141 0.000 1.050 50 K CA 0.995 57.319 56.287 0.062 0.000 0.938 50 K CB 0.081 32.596 32.500 0.025 0.000 0.718 50 K HN 0.095 nan 8.250 nan 0.000 0.442 51 K N 0.563 121.038 120.400 0.125 0.000 2.062 51 K HA -0.078 4.241 4.320 -0.001 0.000 0.205 51 K C 1.945 178.740 176.600 0.326 0.000 1.051 51 K CA 1.448 57.846 56.287 0.185 0.000 0.941 51 K CB 0.011 32.587 32.500 0.127 0.000 0.719 51 K HN 0.102 nan 8.250 nan 0.000 0.440 52 V N -1.220 118.855 119.914 0.269 0.000 3.623 52 V HA 0.056 4.175 4.120 -0.001 0.000 0.271 52 V C 0.367 176.560 176.094 0.165 0.000 1.248 52 V CA 0.237 62.708 62.300 0.286 0.000 1.156 52 V CB -0.174 31.793 31.823 0.240 0.000 0.870 52 V HN -0.033 nan 8.190 nan 0.000 0.453 53 T N 4.523 119.240 114.554 0.272 0.000 2.762 53 T HA 0.698 5.047 4.350 -0.001 0.000 0.303 53 T C -0.748 174.100 174.700 0.246 0.000 0.977 53 T CA -0.001 62.249 62.100 0.250 0.000 0.961 53 T CB 0.083 69.212 68.868 0.434 0.000 0.944 53 T HN 0.654 nan 8.240 nan 0.000 0.481 54 F N 0.018 120.068 119.950 0.167 0.000 2.773 54 F HA 0.626 5.152 4.527 -0.001 0.000 0.314 54 F C -1.145 174.689 175.800 0.056 0.000 1.160 54 F CA -1.841 56.219 58.000 0.099 0.000 0.920 54 F CB 0.606 39.656 39.000 0.084 0.000 1.323 54 F HN 0.232 nan 8.300 nan 0.000 0.457 55 D N 0.685 121.297 120.400 0.353 0.000 2.302 55 D HA 0.516 5.155 4.640 -0.001 0.000 0.248 55 D C -0.899 175.563 176.300 0.270 0.000 1.094 55 D CA 0.111 54.235 54.000 0.206 0.000 0.897 55 D CB 0.832 41.709 40.800 0.128 0.000 1.200 55 D HN 0.596 nan 8.370 nan 0.000 0.429 56 R N 2.290 122.881 120.500 0.152 0.000 2.494 56 R HA 0.658 4.997 4.340 -0.001 0.000 0.305 56 R C -1.088 175.246 176.300 0.056 0.000 0.959 56 R CA -0.666 55.513 56.100 0.132 0.000 0.864 56 R CB 1.203 31.560 30.300 0.094 0.000 1.159 56 R HN 0.321 nan 8.270 nan 0.000 0.446 57 L N 1.627 122.874 121.223 0.040 0.000 2.381 57 L HA 0.543 4.883 4.340 -0.001 0.000 0.268 57 L C -0.468 176.399 176.870 -0.004 0.000 0.997 57 L CA -0.470 54.376 54.840 0.009 0.000 0.818 57 L CB 2.097 44.158 42.059 0.004 0.000 1.310 57 L HN 0.452 nan 8.230 nan 0.000 0.416 58 Q N 1.415 121.203 119.800 -0.021 0.000 2.347 58 Q HA 0.748 5.087 4.340 -0.001 0.000 0.271 58 Q C -1.595 174.378 176.000 -0.045 0.000 1.064 58 Q CA -0.747 55.035 55.803 -0.035 0.000 0.800 58 Q CB 3.431 32.129 28.738 -0.066 0.000 1.304 58 Q HN 0.381 nan 8.270 nan 0.000 0.438 59 V N 4.154 124.048 119.914 -0.032 0.000 2.380 59 V HA 0.369 4.489 4.120 -0.001 0.000 0.286 59 V C -0.723 175.371 176.094 -0.000 0.000 1.015 59 V CA -0.507 61.775 62.300 -0.030 0.000 0.834 59 V CB 1.210 33.011 31.823 -0.036 0.000 1.009 59 V HN 0.611 nan 8.190 nan 0.000 0.428 60 L N 5.675 126.853 121.223 -0.075 0.000 2.265 60 L HA 0.568 4.907 4.340 -0.001 0.000 0.289 60 L C 0.099 176.980 176.870 0.019 0.000 1.033 60 L CA -0.542 54.211 54.840 -0.144 0.000 0.814 60 L CB 1.272 43.078 42.059 -0.422 0.000 1.203 60 L HN 0.665 nan 8.230 nan 0.000 0.423 61 D N 0.798 121.288 120.400 0.149 0.000 2.539 61 D HA 0.107 4.746 4.640 -0.001 0.000 0.276 61 D C 0.337 176.714 176.300 0.128 0.000 1.206 61 D CA -0.587 53.487 54.000 0.124 0.000 1.081 61 D CB 0.811 41.694 40.800 0.138 0.000 1.142 61 D HN 0.277 nan 8.370 nan 0.000 0.595 62 D N -1.305 119.113 120.400 0.030 0.000 2.178 62 D HA -0.138 4.502 4.640 -0.001 0.000 0.202 62 D C 1.804 178.113 176.300 0.014 0.000 0.974 62 D CA 1.000 54.991 54.000 -0.015 0.000 0.841 62 D CB -0.174 40.563 40.800 -0.105 0.000 0.953 62 D HN 0.413 nan 8.370 nan 0.000 0.478 63 H N -0.296 118.840 119.070 0.111 0.000 2.352 63 H HA -0.158 4.398 4.556 -0.001 0.000 0.299 63 H C 1.995 177.368 175.328 0.074 0.000 1.097 63 H CA 0.941 57.046 56.048 0.096 0.000 1.311 63 H CB -0.568 29.273 29.762 0.133 0.000 1.377 63 H HN 0.307 nan 8.280 nan 0.000 0.504 64 Y N 1.873 122.222 120.300 0.081 0.000 2.097 64 Y HA -0.223 4.327 4.550 -0.001 0.000 0.282 64 Y C 2.676 178.533 175.900 -0.073 0.000 1.152 64 Y CA 1.654 59.681 58.100 -0.122 0.000 1.136 64 Y CB -0.114 38.194 38.460 -0.254 0.000 0.975 64 Y HN -0.051 nan 8.280 nan 0.000 0.498 65 R N 0.063 120.609 120.500 0.078 0.000 2.115 65 R HA -0.142 4.197 4.340 -0.001 0.000 0.230 65 R C 1.771 178.036 176.300 -0.058 0.000 1.111 65 R CA 1.358 57.448 56.100 -0.016 0.000 0.976 65 R CB -0.286 30.053 30.300 0.065 0.000 0.870 65 R HN 0.435 nan 8.270 nan 0.000 0.445 66 D N 0.120 120.513 120.400 -0.013 0.000 2.097 66 D HA -0.121 4.518 4.640 -0.001 0.000 0.195 66 D C 1.984 178.268 176.300 -0.028 0.000 0.989 66 D CA 1.100 55.099 54.000 -0.002 0.000 0.827 66 D CB -0.219 40.609 40.800 0.047 0.000 0.966 66 D HN -0.009 nan 8.370 nan 0.000 0.456 67 V N 1.308 121.191 119.914 -0.051 0.000 2.343 67 V HA -0.211 3.908 4.120 -0.001 0.000 0.247 67 V C 2.496 178.527 176.094 -0.105 0.000 1.051 67 V CA 1.072 63.331 62.300 -0.067 0.000 1.036 67 V CB -0.474 31.288 31.823 -0.102 0.000 0.654 67 V HN 0.130 nan 8.190 nan 0.000 0.451 68 L N 0.652 121.741 121.223 -0.223 0.000 2.042 68 L HA -0.195 4.144 4.340 -0.001 0.000 0.210 68 L C 2.402 179.199 176.870 -0.122 0.000 1.076 68 L CA 2.314 57.017 54.840 -0.230 0.000 0.749 68 L CB -0.853 40.990 42.059 -0.361 0.000 0.893 68 L HN 0.298 nan 8.230 nan 0.000 0.432 69 K N -0.528 119.818 120.400 -0.090 0.000 2.097 69 K HA -0.206 4.114 4.320 -0.001 0.000 0.206 69 K C 1.934 178.513 176.600 -0.036 0.000 1.049 69 K CA 1.821 58.077 56.287 -0.052 0.000 0.933 69 K CB -0.106 32.374 32.500 -0.034 0.000 0.717 69 K HN 0.526 nan 8.250 nan 0.000 0.442 70 E N 0.077 120.261 120.200 -0.026 0.000 2.106 70 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 70 E C 2.050 178.644 176.600 -0.010 0.000 0.984 70 E CA 1.371 57.767 56.400 -0.006 0.000 0.806 70 E CB -0.024 29.686 29.700 0.016 0.000 0.750 70 E HN 0.353 nan 8.360 nan 0.000 0.458 71 M N 0.516 120.104 119.600 -0.019 0.000 2.132 71 M HA -0.153 4.326 4.480 -0.001 0.000 0.263 71 M C 2.098 178.364 176.300 -0.057 0.000 1.065 71 M CA 1.418 56.695 55.300 -0.037 0.000 1.122 71 M CB -0.092 32.482 32.600 -0.042 0.000 1.365 71 M HN -0.073 nan 8.290 nan 0.000 0.411 72 K N 0.302 120.668 120.400 -0.057 0.000 2.097 72 K HA -0.076 4.244 4.320 -0.001 0.000 0.206 72 K C 2.078 178.656 176.600 -0.035 0.000 1.049 72 K CA 1.329 57.586 56.287 -0.051 0.000 0.933 72 K CB -0.236 32.234 32.500 -0.050 0.000 0.717 72 K HN 0.295 nan 8.250 nan 0.000 0.442 73 A N 1.819 124.621 122.820 -0.029 0.000 1.933 73 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 73 A C 1.849 179.419 177.584 -0.023 0.000 1.175 73 A CA 1.485 53.509 52.037 -0.021 0.000 0.628 73 A CB -0.201 18.791 19.000 -0.014 0.000 0.814 73 A HN 0.188 nan 8.150 nan 0.000 0.444 74 K N -0.475 119.906 120.400 -0.031 0.000 2.076 74 K HA 0.089 4.408 4.320 -0.001 0.000 0.204 74 K C 2.265 178.838 176.600 -0.045 0.000 1.051 74 K CA 0.865 57.128 56.287 -0.039 0.000 0.949 74 K CB -0.269 32.199 32.500 -0.053 0.000 0.726 74 K HN 0.400 nan 8.250 nan 0.000 0.443 75 A N 1.200 123.991 122.820 -0.049 0.000 2.024 75 A HA -0.144 4.176 4.320 -0.001 0.000 0.220 75 A C 2.053 179.624 177.584 -0.022 0.000 1.164 75 A CA 1.666 53.679 52.037 -0.041 0.000 0.643 75 A CB -0.452 18.525 19.000 -0.039 0.000 0.806 75 A HN 0.153 nan 8.150 nan 0.000 0.451 76 S N -0.416 115.272 115.700 -0.020 0.000 2.474 76 S HA -0.090 4.380 4.470 -0.001 0.000 0.235 76 S C 1.894 176.487 174.600 -0.010 0.000 0.997 76 S CA 1.527 59.720 58.200 -0.011 0.000 0.949 76 S CB -0.424 62.770 63.200 -0.010 0.000 0.766 76 S HN 0.909 nan 8.310 nan 0.000 0.517 77 T N -0.958 113.586 114.554 -0.017 0.000 3.129 77 T HA 0.213 4.562 4.350 -0.001 0.000 0.251 77 T C 0.462 175.151 174.700 -0.017 0.000 1.117 77 T CA -0.124 61.966 62.100 -0.016 0.000 1.034 77 T CB -0.222 68.635 68.868 -0.019 0.000 0.968 77 T HN 0.012 nan 8.240 nan 0.000 0.526 78 V N 2.023 121.925 119.914 -0.020 0.000 2.498 78 V HA 0.393 4.513 4.120 -0.001 0.000 0.279 78 V C 0.095 176.183 176.094 -0.009 0.000 1.048 78 V CA -0.805 61.483 62.300 -0.021 0.000 0.967 78 V CB 1.255 33.060 31.823 -0.030 0.000 0.988 78 V HN 0.377 nan 8.190 nan 0.000 0.473 79 K N 3.871 124.265 120.400 -0.009 0.000 2.394 79 K HA 0.751 5.070 4.320 -0.001 0.000 0.260 79 K C -0.653 175.946 176.600 -0.002 0.000 0.967 79 K CA -0.392 55.895 56.287 -0.001 0.000 0.855 79 K CB 1.428 33.928 32.500 0.000 0.000 1.101 79 K HN 0.823 nan 8.250 nan 0.000 0.433 80 A N 4.301 127.123 122.820 0.004 0.000 2.355 80 A HA 0.551 4.870 4.320 -0.001 0.000 0.324 80 A C -1.029 176.566 177.584 0.018 0.000 1.117 80 A CA -0.832 51.207 52.037 0.004 0.000 0.785 80 A CB 1.090 20.087 19.000 -0.004 0.000 1.254 80 A HN 0.739 nan 8.150 nan 0.000 0.453 81 K N 0.415 120.829 120.400 0.022 0.000 2.166 81 K HA 0.546 4.866 4.320 -0.001 0.000 0.245 81 K C -1.133 175.490 176.600 0.038 0.000 0.967 81 K CA -0.805 55.499 56.287 0.028 0.000 0.863 81 K CB 1.750 34.264 32.500 0.022 0.000 1.107 81 K HN 0.513 nan 8.250 nan 0.000 0.436 82 L N 2.276 123.517 121.223 0.030 0.000 2.350 82 L HA 0.274 4.613 4.340 -0.001 0.000 0.275 82 L C -0.994 175.861 176.870 -0.024 0.000 1.099 82 L CA -0.358 54.492 54.840 0.016 0.000 0.808 82 L CB 0.691 42.759 42.059 0.014 0.000 1.149 82 L HN 0.379 nan 8.230 nan 0.000 0.442 83 L N 3.197 124.390 121.223 -0.051 0.000 2.334 83 L HA 0.450 4.790 4.340 -0.001 0.000 0.277 83 L C 0.388 177.156 176.870 -0.170 0.000 1.075 83 L CA 0.325 55.119 54.840 -0.077 0.000 0.804 83 L CB 1.487 43.510 42.059 -0.059 0.000 1.174 83 L HN 0.856 nan 8.230 nan 0.000 0.438 84 S N 1.883 117.495 115.700 -0.146 0.000 2.608 84 S HA 0.182 4.652 4.470 -0.001 0.000 0.261 84 S C 1.267 175.735 174.600 -0.219 0.000 1.314 84 S CA -0.626 57.467 58.200 -0.177 0.000 0.992 84 S CB 0.818 63.950 63.200 -0.114 0.000 0.935 84 S HN 0.349 nan 8.310 nan 0.000 0.564 85 V N 1.131 120.895 119.914 -0.250 0.000 2.407 85 V HA -0.155 3.964 4.120 -0.001 0.000 0.248 85 V C 2.755 178.743 176.094 -0.178 0.000 1.055 85 V CA 2.339 64.476 62.300 -0.272 0.000 1.049 85 V CB -1.236 30.390 31.823 -0.328 0.000 0.662 85 V HN 1.031 nan 8.190 nan 0.000 0.455 86 E N 0.082 120.204 120.200 -0.129 0.000 2.072 86 E HA -0.232 4.117 4.350 -0.001 0.000 0.191 86 E C 2.180 178.716 176.600 -0.106 0.000 0.985 86 E CA 1.364 57.704 56.400 -0.100 0.000 0.801 86 E CB -0.015 29.641 29.700 -0.072 0.000 0.750 86 E HN 0.724 nan 8.360 nan 0.000 0.452 87 E N 0.186 120.317 120.200 -0.115 0.000 2.072 87 E HA -0.167 4.182 4.350 -0.001 0.000 0.191 87 E C 2.049 178.547 176.600 -0.169 0.000 0.985 87 E CA 0.860 57.186 56.400 -0.124 0.000 0.801 87 E CB -0.113 29.522 29.700 -0.108 0.000 0.750 87 E HN 0.316 nan 8.360 nan 0.000 0.452 88 A N 0.868 123.583 122.820 -0.175 0.000 1.902 88 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 88 A C 2.415 179.905 177.584 -0.158 0.000 1.181 88 A CA 1.134 53.058 52.037 -0.187 0.000 0.623 88 A CB -0.869 18.030 19.000 -0.168 0.000 0.818 88 A HN 0.356 nan 8.150 nan 0.000 0.443 89 C N -0.251 118.970 119.300 -0.133 0.000 2.429 89 C HA -0.059 4.401 4.460 -0.001 0.000 0.277 89 C C 2.548 177.477 174.990 -0.103 0.000 1.262 89 C CA 1.218 60.173 59.018 -0.105 0.000 1.733 89 C CB -0.738 26.944 27.740 -0.096 0.000 2.010 89 C HN 0.483 nan 8.230 nan 0.000 0.483 90 K N 0.846 121.185 120.400 -0.101 0.000 2.362 90 K HA 0.076 4.396 4.320 -0.001 0.000 0.200 90 K C 1.432 177.996 176.600 -0.060 0.000 1.046 90 K CA 0.811 57.054 56.287 -0.073 0.000 0.952 90 K CB -0.413 32.051 32.500 -0.060 0.000 0.753 90 K HN 0.546 nan 8.250 nan 0.000 0.466 91 L N 0.893 122.037 121.223 -0.131 0.000 2.591 91 L HA 0.029 4.368 4.340 -0.001 0.000 0.228 91 L C 0.233 177.029 176.870 -0.123 0.000 1.133 91 L CA 0.118 54.858 54.840 -0.168 0.000 0.880 91 L CB -0.030 41.801 42.059 -0.380 0.000 1.033 91 L HN -0.107 nan 8.230 nan 0.000 0.450 92 T N 1.623 116.109 114.554 -0.112 0.000 2.780 92 T HA 0.225 4.574 4.350 -0.001 0.000 0.294 92 T C -2.325 172.253 174.700 -0.204 0.000 0.949 92 T CA -1.175 60.852 62.100 -0.123 0.000 1.074 92 T CB 1.101 69.910 68.868 -0.099 0.000 0.910 92 T HN -0.152 nan 8.240 nan 0.000 0.501 93 P HA 0.112 nan 4.420 nan 0.000 0.265 93 P C -1.876 175.196 177.300 -0.380 0.000 1.193 93 P CA -1.211 61.683 63.100 -0.343 0.000 0.765 93 P CB 0.247 31.874 31.700 -0.122 0.000 0.823 94 P HA -0.170 nan 4.420 nan 0.000 0.217 94 P C 0.209 177.232 177.300 -0.460 0.000 1.148 94 P CA 1.678 64.506 63.100 -0.453 0.000 0.828 94 P CB -0.138 31.296 31.700 -0.444 0.000 0.783 95 H N -2.423 116.537 119.070 -0.185 0.000 2.488 95 H HA 0.299 4.855 4.556 -0.001 0.000 0.294 95 H C 0.401 175.660 175.328 -0.115 0.000 1.088 95 H CA -0.325 55.651 56.048 -0.120 0.000 1.086 95 H CB -0.327 29.379 29.762 -0.093 0.000 1.569 95 H HN -0.037 nan 8.280 nan 0.000 0.548 96 S N 1.071 116.730 115.700 -0.068 0.000 2.572 96 S HA 0.432 4.901 4.470 -0.001 0.000 0.279 96 S C 0.760 175.316 174.600 -0.073 0.000 1.341 96 S CA -0.523 57.627 58.200 -0.084 0.000 1.043 96 S CB 0.261 63.407 63.200 -0.091 0.000 0.887 96 S HN 0.551 nan 8.310 nan 0.000 0.516 97 A N 4.332 127.093 122.820 -0.097 0.000 2.567 97 A HA 0.210 4.529 4.320 -0.001 0.000 0.240 97 A C 0.585 178.151 177.584 -0.029 0.000 1.053 97 A CA 0.042 52.046 52.037 -0.055 0.000 0.755 97 A CB -0.297 18.669 19.000 -0.056 0.000 0.978 97 A HN 0.886 nan 8.150 nan 0.000 0.507 98 K N 2.225 122.599 120.400 -0.043 0.000 2.276 98 K HA 0.353 4.672 4.320 -0.001 0.000 0.259 98 K C 0.390 176.902 176.600 -0.147 0.000 1.001 98 K CA 0.088 56.318 56.287 -0.096 0.000 0.927 98 K CB 0.442 32.882 32.500 -0.100 0.000 0.969 98 K HN 0.465 nan 8.250 nan 0.000 0.490 99 S N 0.168 115.670 115.700 -0.329 0.000 2.603 99 S HA 0.075 4.544 4.470 -0.001 0.000 0.268 99 S C 0.407 174.769 174.600 -0.398 0.000 1.317 99 S CA -0.609 57.346 58.200 -0.408 0.000 1.012 99 S CB 0.582 63.209 63.200 -0.954 0.000 0.926 99 S HN 0.673 nan 8.310 nan 0.000 0.539 100 K N 1.903 122.016 120.400 -0.479 0.000 2.487 100 K HA 0.101 4.420 4.320 -0.001 0.000 0.192 100 K C -0.431 175.640 176.600 -0.881 0.000 1.027 100 K CA 0.494 56.383 56.287 -0.662 0.000 1.054 100 K CB -0.025 31.993 32.500 -0.804 0.000 0.824 100 K HN 0.563 nan 8.250 nan 0.000 0.510 101 F N 0.384 120.140 119.950 -0.323 0.000 2.850 101 F HA 0.271 4.798 4.527 -0.001 0.000 0.306 101 F C 0.993 176.684 175.800 -0.181 0.000 1.162 101 F CA -0.632 57.188 58.000 -0.299 0.000 1.327 101 F CB 0.900 39.569 39.000 -0.552 0.000 0.953 101 F HN 0.076 nan 8.300 nan 0.000 0.507 102 G N 0.686 109.442 108.800 -0.074 0.000 2.142 102 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.225 102 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.225 102 G C -0.452 174.537 174.900 0.148 0.000 1.015 102 G CA 0.096 45.219 45.100 0.038 0.000 0.716 102 G HN 0.616 nan 8.290 nan 0.000 0.508 103 Y N -3.013 117.281 120.300 -0.010 0.000 2.662 103 Y HA 0.696 5.246 4.550 -0.001 0.000 0.334 103 Y C 0.234 176.131 175.900 -0.006 0.000 1.185 103 Y CA -0.961 57.137 58.100 -0.004 0.000 1.074 103 Y CB 0.401 38.868 38.460 0.013 0.000 1.330 103 Y HN 0.801 nan 8.280 nan 0.000 0.458 104 G N 0.087 108.971 108.800 0.140 0.000 3.108 104 G HA2 0.563 4.522 3.960 -0.001 0.000 0.268 104 G HA3 0.563 4.522 3.960 -0.001 0.000 0.268 104 G C 0.316 175.273 174.900 0.095 0.000 1.361 104 G CA -0.773 44.348 45.100 0.035 0.000 1.047 104 G HN 1.288 nan 8.290 nan 0.000 0.540 105 A N -0.430 122.387 122.820 -0.004 0.000 1.940 105 A HA -0.044 4.275 4.320 -0.001 0.000 0.219 105 A C 2.157 179.700 177.584 -0.068 0.000 1.176 105 A CA 1.991 54.005 52.037 -0.040 0.000 0.631 105 A CB -0.392 18.538 19.000 -0.117 0.000 0.814 105 A HN 0.572 nan 8.150 nan 0.000 0.446 106 K N -0.453 119.894 120.400 -0.087 0.000 2.155 106 K HA -0.099 4.221 4.320 -0.001 0.000 0.203 106 K C 1.220 177.792 176.600 -0.047 0.000 1.052 106 K CA 1.217 57.446 56.287 -0.097 0.000 0.948 106 K CB -0.183 32.250 32.500 -0.112 0.000 0.728 106 K HN 0.461 nan 8.250 nan 0.000 0.448 107 D N 0.649 121.052 120.400 0.005 0.000 2.178 107 D HA -0.107 4.533 4.640 -0.001 0.000 0.202 107 D C 1.972 178.261 176.300 -0.018 0.000 0.974 107 D CA 0.823 54.830 54.000 0.013 0.000 0.841 107 D CB -0.006 40.842 40.800 0.079 0.000 0.953 107 D HN -0.052 nan 8.370 nan 0.000 0.478 108 V N 1.334 121.255 119.914 0.012 0.000 2.270 108 V HA -0.202 3.918 4.120 -0.001 0.000 0.245 108 V C 2.501 178.561 176.094 -0.056 0.000 1.043 108 V CA 1.466 63.754 62.300 -0.020 0.000 1.014 108 V CB -0.315 31.531 31.823 0.040 0.000 0.645 108 V HN 0.096 nan 8.190 nan 0.000 0.447 109 R N 0.499 120.958 120.500 -0.068 0.000 2.096 109 R HA -0.111 4.229 4.340 -0.001 0.000 0.235 109 R C 1.805 178.064 176.300 -0.068 0.000 1.127 109 R CA 1.435 57.484 56.100 -0.084 0.000 0.968 109 R CB -0.383 29.846 30.300 -0.119 0.000 0.861 109 R HN 0.511 nan 8.270 nan 0.000 0.440 110 N N 0.941 119.605 118.700 -0.060 0.000 2.461 110 N HA 0.033 4.773 4.740 -0.001 0.000 0.188 110 N C 0.209 175.690 175.510 -0.048 0.000 1.134 110 N CA 0.371 53.391 53.050 -0.049 0.000 0.878 110 N CB 0.202 38.663 38.487 -0.043 0.000 0.972 110 N HN 0.160 nan 8.380 nan 0.000 0.456 111 L N 0.764 121.952 121.223 -0.058 0.000 3.634 111 L HA -0.220 4.119 4.340 -0.001 0.000 0.423 111 L C 0.199 177.034 176.870 -0.059 0.000 1.253 111 L CA -0.060 54.743 54.840 -0.061 0.000 0.885 111 L CB -2.620 39.409 42.059 -0.050 0.000 1.789 111 L HN 0.144 nan 8.230 nan 0.000 0.904 112 S N -1.058 114.603 115.700 -0.066 0.000 2.568 112 S HA 0.246 4.716 4.470 -0.001 0.000 0.282 112 S C 1.521 176.078 174.600 -0.072 0.000 1.338 112 S CA -0.072 58.092 58.200 -0.059 0.000 1.045 112 S CB 1.730 64.899 63.200 -0.051 0.000 0.873 112 S HN 0.528 nan 8.310 nan 0.000 0.516 113 S N 2.775 118.445 115.700 -0.049 0.000 2.370 113 S HA -0.265 4.204 4.470 -0.001 0.000 0.226 113 S C 1.735 176.301 174.600 -0.056 0.000 1.033 113 S CA 1.348 59.522 58.200 -0.043 0.000 1.011 113 S CB -0.719 62.464 63.200 -0.028 0.000 0.852 113 S HN 0.868 nan 8.310 nan 0.000 0.457 114 K N 1.715 122.078 120.400 -0.061 0.000 2.009 114 K HA -0.054 4.265 4.320 -0.001 0.000 0.210 114 K C 2.398 178.868 176.600 -0.217 0.000 1.049 114 K CA 1.288 57.535 56.287 -0.066 0.000 0.929 114 K CB -0.735 31.758 32.500 -0.011 0.000 0.714 114 K HN 0.447 nan 8.250 nan 0.000 0.440 115 A N 0.593 123.163 122.820 -0.416 0.000 1.858 115 A HA -0.127 4.192 4.320 -0.001 0.000 0.216 115 A C 2.274 179.593 177.584 -0.441 0.000 1.190 115 A CA 1.845 53.338 52.037 -0.907 0.000 0.617 115 A CB -0.820 17.773 19.000 -0.679 0.000 0.827 115 A HN 0.189 nan 8.150 nan 0.000 0.443 116 V N 1.121 120.911 119.914 -0.207 0.000 2.392 116 V HA -0.271 3.849 4.120 -0.001 0.000 0.249 116 V C 2.309 178.459 176.094 0.092 0.000 1.059 116 V CA 2.117 64.383 62.300 -0.057 0.000 1.051 116 V CB -0.986 30.842 31.823 0.009 0.000 0.658 116 V HN 0.552 nan 8.190 nan 0.000 0.455 117 N N -0.669 118.055 118.700 0.040 0.000 2.142 117 N HA -0.177 4.562 4.740 -0.001 0.000 0.186 117 N C 1.902 177.462 175.510 0.084 0.000 1.023 117 N CA 1.533 54.628 53.050 0.075 0.000 0.852 117 N CB -0.481 38.021 38.487 0.026 0.000 0.998 117 N HN 0.651 nan 8.380 nan 0.000 0.424 118 H N 0.934 119.976 119.070 -0.047 0.000 2.389 118 H HA 0.064 4.619 4.556 -0.001 0.000 0.299 118 H C 2.090 177.421 175.328 0.006 0.000 1.081 118 H CA 0.792 56.833 56.048 -0.012 0.000 1.345 118 H CB 0.110 29.915 29.762 0.072 0.000 1.393 118 H HN 0.130 nan 8.280 nan 0.000 0.520 119 I N 0.292 120.796 120.570 -0.109 0.000 2.226 119 I HA -0.295 3.874 4.170 -0.001 0.000 0.245 119 I C 2.286 178.318 176.117 -0.140 0.000 1.100 119 I CA 1.453 62.666 61.300 -0.146 0.000 1.374 119 I CB -0.413 37.490 38.000 -0.162 0.000 1.057 119 I HN 0.312 nan 8.210 nan 0.000 0.413 120 H N 0.127 119.158 119.070 -0.065 0.000 2.387 120 H HA -0.147 4.409 4.556 -0.001 0.000 0.299 120 H C 2.538 177.877 175.328 0.019 0.000 1.090 120 H CA 1.883 57.931 56.048 -0.001 0.000 1.332 120 H CB -0.047 29.701 29.762 -0.024 0.000 1.386 120 H HN 0.374 nan 8.280 nan 0.000 0.516 121 S N -0.229 115.492 115.700 0.035 0.000 2.383 121 S HA -0.118 4.351 4.470 -0.001 0.000 0.227 121 S C 2.249 176.785 174.600 -0.106 0.000 1.026 121 S CA 1.120 59.296 58.200 -0.041 0.000 0.981 121 S CB -0.670 62.478 63.200 -0.088 0.000 0.818 121 S HN 0.161 nan 8.310 nan 0.000 0.472 122 V N 0.904 120.696 119.914 -0.203 0.000 2.358 122 V HA -0.110 4.009 4.120 -0.001 0.000 0.246 122 V C 2.239 178.315 176.094 -0.029 0.000 1.047 122 V CA 1.722 63.919 62.300 -0.170 0.000 1.035 122 V CB -1.049 30.653 31.823 -0.202 0.000 0.658 122 V HN 0.710 nan 8.190 nan 0.000 0.452 123 W N 1.538 122.756 121.300 -0.136 0.000 2.335 123 W HA -0.263 4.397 4.660 -0.001 0.000 0.311 123 W C 2.533 179.016 176.519 -0.060 0.000 1.213 123 W CA 2.427 59.717 57.345 -0.091 0.000 1.274 123 W CB -0.165 29.236 29.460 -0.098 0.000 1.148 123 W HN 0.244 nan 8.180 nan 0.000 0.498 124 K N 0.564 121.001 120.400 0.063 0.000 2.103 124 K HA -0.277 4.042 4.320 -0.001 0.000 0.207 124 K C 1.743 178.271 176.600 -0.119 0.000 1.048 124 K CA 2.290 58.561 56.287 -0.027 0.000 0.930 124 K CB -0.609 31.917 32.500 0.045 0.000 0.716 124 K HN 0.015 nan 8.250 nan 0.000 0.444 125 D N 0.321 120.655 120.400 -0.110 0.000 2.117 125 D HA -0.143 4.496 4.640 -0.001 0.000 0.197 125 D C 1.970 178.171 176.300 -0.164 0.000 0.987 125 D CA 1.054 54.984 54.000 -0.117 0.000 0.829 125 D CB 0.032 40.770 40.800 -0.103 0.000 0.961 125 D HN 0.231 nan 8.370 nan 0.000 0.460 126 L N -0.066 121.016 121.223 -0.235 0.000 2.083 126 L HA -0.150 4.189 4.340 -0.001 0.000 0.209 126 L C 2.479 179.158 176.870 -0.319 0.000 1.083 126 L CA 0.681 55.346 54.840 -0.292 0.000 0.752 126 L CB -0.365 41.450 42.059 -0.407 0.000 0.899 126 L HN 0.225 nan 8.230 nan 0.000 0.433 127 L N -0.763 120.232 121.223 -0.380 0.000 2.109 127 L HA -0.153 4.186 4.340 -0.001 0.000 0.207 127 L C 2.377 179.144 176.870 -0.172 0.000 1.086 127 L CA 1.196 55.857 54.840 -0.300 0.000 0.760 127 L CB -0.437 41.441 42.059 -0.302 0.000 0.910 127 L HN 0.322 nan 8.230 nan 0.000 0.437 128 E N -0.917 119.199 120.200 -0.141 0.000 2.170 128 E HA -0.071 4.279 4.350 -0.001 0.000 0.191 128 E C 0.384 176.936 176.600 -0.081 0.000 0.981 128 E CA 0.315 56.661 56.400 -0.091 0.000 0.830 128 E CB 0.250 29.908 29.700 -0.071 0.000 0.775 128 E HN 0.216 nan 8.360 nan 0.000 0.470 129 D N 0.400 120.744 120.400 -0.095 0.000 2.408 129 D HA 0.068 4.707 4.640 -0.001 0.000 0.243 129 D C -0.199 176.047 176.300 -0.089 0.000 1.075 129 D CA -0.220 53.733 54.000 -0.077 0.000 0.832 129 D CB 1.570 42.329 40.800 -0.068 0.000 1.162 129 D HN -0.014 nan 8.370 nan 0.000 0.515 130 T N 0.378 114.890 114.554 -0.071 0.000 3.252 130 T HA 0.257 4.606 4.350 -0.001 0.000 0.286 130 T C 0.822 175.491 174.700 -0.051 0.000 1.013 130 T CA -0.188 61.869 62.100 -0.071 0.000 0.914 130 T CB 0.077 68.907 68.868 -0.063 0.000 1.131 130 T HN 0.136 nan 8.240 nan 0.000 0.529 131 V N -0.008 119.881 119.914 -0.042 0.000 3.251 131 V HA 0.216 4.336 4.120 -0.001 0.000 0.239 131 V C 0.915 176.999 176.094 -0.016 0.000 1.332 131 V CA 0.187 62.472 62.300 -0.026 0.000 1.224 131 V CB 0.252 32.063 31.823 -0.021 0.000 1.004 131 V HN 0.477 nan 8.190 nan 0.000 0.464 132 T N 4.108 118.650 114.554 -0.020 0.000 2.784 132 T HA 0.207 4.556 4.350 -0.001 0.000 0.291 132 T C -2.442 172.257 174.700 -0.003 0.000 0.942 132 T CA -0.551 61.545 62.100 -0.006 0.000 1.161 132 T CB 0.674 69.537 68.868 -0.009 0.000 0.885 132 T HN 0.158 nan 8.240 nan 0.000 0.534 133 P HA 0.118 nan 4.420 nan 0.000 0.264 133 P C -0.196 177.106 177.300 0.005 0.000 1.183 133 P CA 0.011 63.128 63.100 0.027 0.000 0.763 133 P CB 0.326 32.089 31.700 0.105 0.000 0.807 134 I N 2.422 122.977 120.570 -0.025 0.000 2.396 134 I HA 0.158 4.328 4.170 -0.001 0.000 0.292 134 I C 0.938 177.043 176.117 -0.019 0.000 0.999 134 I CA -0.456 60.833 61.300 -0.017 0.000 1.310 134 I CB 0.860 38.838 38.000 -0.036 0.000 1.404 134 I HN 0.319 nan 8.210 nan 0.000 0.496 135 D N 4.118 124.522 120.400 0.006 0.000 2.382 135 D HA 0.256 4.895 4.640 -0.001 0.000 0.240 135 D C -0.357 175.914 176.300 -0.047 0.000 1.146 135 D CA 0.271 54.262 54.000 -0.014 0.000 0.897 135 D CB 0.849 41.655 40.800 0.011 0.000 1.197 135 D HN 0.646 nan 8.370 nan 0.000 0.432 136 T N -1.063 113.434 114.554 -0.095 0.000 2.883 136 T HA 0.593 4.943 4.350 -0.001 0.000 0.301 136 T C -0.587 173.964 174.700 -0.249 0.000 1.158 136 T CA -0.967 61.033 62.100 -0.166 0.000 1.007 136 T CB 1.517 70.313 68.868 -0.119 0.000 1.186 136 T HN 0.215 nan 8.240 nan 0.000 0.499 137 T N 2.302 116.551 114.554 -0.508 0.000 2.824 137 T HA 0.613 4.963 4.350 -0.001 0.000 0.280 137 T C -0.452 174.000 174.700 -0.413 0.000 0.995 137 T CA -0.634 61.150 62.100 -0.526 0.000 1.009 137 T CB 0.868 69.243 68.868 -0.822 0.000 0.955 137 T HN 0.742 nan 8.240 nan 0.000 0.452 138 I N 4.156 124.642 120.570 -0.141 0.000 2.378 138 I HA 0.523 4.693 4.170 -0.001 0.000 0.291 138 I C -1.025 175.124 176.117 0.053 0.000 0.992 138 I CA -0.828 60.475 61.300 0.005 0.000 1.154 138 I CB 0.724 38.770 38.000 0.077 0.000 1.315 138 I HN 0.410 nan 8.210 nan 0.000 0.448 139 M N 6.207 125.885 119.600 0.130 0.000 2.619 139 M HA 0.523 5.002 4.480 -0.001 0.000 0.297 139 M C -0.607 175.754 176.300 0.102 0.000 1.229 139 M CA -0.633 54.746 55.300 0.132 0.000 0.860 139 M CB 1.815 34.546 32.600 0.219 0.000 1.741 139 M HN 0.576 nan 8.290 nan 0.000 0.462 140 A N 1.917 124.778 122.820 0.068 0.000 2.301 140 A HA 0.546 4.866 4.320 -0.001 0.000 0.298 140 A C -0.168 177.451 177.584 0.058 0.000 1.185 140 A CA -0.538 51.531 52.037 0.052 0.000 0.830 140 A CB 0.373 19.392 19.000 0.031 0.000 1.112 140 A HN 0.758 nan 8.150 nan 0.000 0.508 141 K N 1.757 122.194 120.400 0.061 0.000 2.237 141 K HA 0.145 4.464 4.320 -0.001 0.000 0.270 141 K C -0.607 176.006 176.600 0.021 0.000 1.015 141 K CA 0.029 56.341 56.287 0.041 0.000 0.949 141 K CB 0.673 33.203 32.500 0.051 0.000 0.976 141 K HN 0.771 nan 8.250 nan 0.000 0.472 142 N N 2.604 121.287 118.700 -0.028 0.000 2.589 142 N HA 0.094 4.833 4.740 -0.001 0.000 0.232 142 N C -1.261 174.133 175.510 -0.193 0.000 1.015 142 N CA -0.286 52.714 53.050 -0.085 0.000 0.931 142 N CB 0.913 39.347 38.487 -0.089 0.000 1.150 142 N HN 0.377 nan 8.380 nan 0.000 0.512 143 E N 0.977 121.059 120.200 -0.196 0.000 2.238 143 E HA 0.402 4.752 4.350 -0.001 0.000 0.267 143 E C -0.772 175.447 176.600 -0.635 0.000 0.887 143 E CA -0.948 55.216 56.400 -0.394 0.000 0.769 143 E CB 2.558 32.093 29.700 -0.275 0.000 1.187 143 E HN 0.088 nan 8.360 nan 0.000 0.416 144 V N 3.350 122.738 119.914 -0.876 0.000 2.509 144 V HA 0.451 4.570 4.120 -0.001 0.000 0.284 144 V C -0.659 174.809 176.094 -1.044 0.000 1.047 144 V CA -0.108 61.690 62.300 -0.837 0.000 0.952 144 V CB 0.073 31.520 31.823 -0.625 0.000 0.988 144 V HN 0.518 nan 8.190 nan 0.000 0.469 145 F N 2.036 121.653 119.950 -0.555 0.000 2.715 145 F HA 0.598 5.125 4.527 -0.001 0.000 0.318 145 F C -0.004 175.629 175.800 -0.278 0.000 1.141 145 F CA -0.733 57.028 58.000 -0.399 0.000 0.950 145 F CB 1.323 40.087 39.000 -0.393 0.000 1.374 145 F HN 0.546 nan 8.300 nan 0.000 0.477 146 C N 2.767 122.192 119.300 0.208 0.000 2.358 146 C HA 0.832 5.292 4.460 -0.001 0.000 0.342 146 C C 0.389 175.601 174.990 0.369 0.000 1.234 146 C CA -0.473 58.691 59.018 0.243 0.000 1.969 146 C CB 0.001 27.835 27.740 0.157 0.000 2.346 146 C HN 0.748 nan 8.230 nan 0.000 0.525 147 V N 5.138 125.280 119.914 0.379 0.000 3.751 147 V HA 0.504 4.623 4.120 -0.001 0.000 0.279 147 V C -0.216 175.961 176.094 0.139 0.000 1.010 147 V CA -0.045 62.414 62.300 0.264 0.000 1.015 147 V CB -0.132 31.777 31.823 0.143 0.000 1.240 147 V HN 1.033 nan 8.190 nan 0.000 0.438 148 Q N -0.855 118.986 119.800 0.069 0.000 2.873 148 Q HA -0.128 4.211 4.340 -0.001 0.000 0.029 148 Q C -2.172 173.850 176.000 0.036 0.000 1.603 148 Q CA 0.816 56.643 55.803 0.040 0.000 0.223 148 Q CB -1.636 27.128 28.738 0.043 0.000 2.716 148 Q HN 0.863 nan 8.270 nan 0.000 0.315 149 P HA 0.028 nan 4.420 nan 0.000 0.203 149 P C 0.453 177.752 177.300 -0.001 0.000 1.106 149 P CA 0.991 64.096 63.100 0.009 0.000 0.918 149 P CB 0.308 32.013 31.700 0.009 0.000 0.754 150 E N 0.330 120.528 120.200 -0.004 0.000 2.869 150 E HA 0.126 4.475 4.350 -0.001 0.000 0.207 150 E C 0.529 177.121 176.600 -0.013 0.000 0.986 150 E CA -0.208 56.187 56.400 -0.009 0.000 1.131 150 E CB 0.017 29.712 29.700 -0.007 0.000 1.098 150 E HN 0.189 nan 8.360 nan 0.000 0.459 151 K N 0.680 121.070 120.400 -0.016 0.000 2.675 151 K HA 0.250 4.569 4.320 -0.001 0.000 0.213 151 K C 0.588 177.170 176.600 -0.031 0.000 1.074 151 K CA 0.464 56.738 56.287 -0.023 0.000 1.172 151 K CB -0.473 32.011 32.500 -0.026 0.000 0.927 151 K HN 0.308 nan 8.250 nan 0.000 0.471 152 G N -0.425 108.356 108.800 -0.031 0.000 2.157 152 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.248 152 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.248 152 G C 0.726 175.590 174.900 -0.060 0.000 0.979 152 G CA -0.006 45.069 45.100 -0.041 0.000 0.650 152 G HN 0.752 nan 8.290 nan 0.000 0.529 153 G N -0.543 108.225 108.800 -0.054 0.000 4.039 153 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.220 153 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.220 153 G C 0.396 175.220 174.900 -0.127 0.000 1.391 153 G CA 1.202 46.257 45.100 -0.074 0.000 0.920 153 G HN 1.310 nan 8.290 nan 0.000 0.599 154 R N 0.937 121.322 120.500 -0.192 0.000 2.686 154 R HA 0.530 4.869 4.340 -0.001 0.000 0.286 154 R C -0.137 176.094 176.300 -0.115 0.000 0.969 154 R CA -0.568 55.349 56.100 -0.305 0.000 0.898 154 R CB 1.847 31.745 30.300 -0.669 0.000 1.183 154 R HN 0.591 nan 8.270 nan 0.000 0.456 155 K N 1.743 122.137 120.400 -0.011 0.000 2.118 155 K HA 0.472 4.792 4.320 -0.001 0.000 0.267 155 K C -2.516 174.095 176.600 0.018 0.000 0.991 155 K CA -1.788 54.472 56.287 -0.046 0.000 0.916 155 K CB 0.932 33.324 32.500 -0.181 0.000 1.041 155 K HN 0.117 nan 8.250 nan 0.000 0.455 156 P HA 0.022 nan 4.420 nan 0.000 0.272 156 P C -0.844 176.490 177.300 0.058 0.000 1.230 156 P CA -0.333 62.783 63.100 0.027 0.000 0.788 156 P CB 0.719 32.420 31.700 0.003 0.000 0.949 157 A N 2.961 125.826 122.820 0.074 0.000 2.498 157 A HA 0.101 4.420 4.320 -0.001 0.000 0.239 157 A C 0.496 178.125 177.584 0.075 0.000 1.068 157 A CA 0.107 52.200 52.037 0.094 0.000 0.766 157 A CB -0.167 18.876 19.000 0.072 0.000 1.003 157 A HN 0.453 nan 8.150 nan 0.000 0.497 158 R N 0.228 120.789 120.500 0.102 0.000 2.577 158 R HA 0.465 4.805 4.340 -0.001 0.000 0.269 158 R C -1.012 175.340 176.300 0.087 0.000 1.084 158 R CA -0.680 55.479 56.100 0.099 0.000 1.163 158 R CB 0.349 30.724 30.300 0.126 0.000 1.100 158 R HN 0.501 nan 8.270 nan 0.000 0.547 159 L N 1.651 122.930 121.223 0.094 0.000 2.331 159 L HA 0.479 4.818 4.340 -0.001 0.000 0.275 159 L C -0.513 176.440 176.870 0.138 0.000 1.022 159 L CA -0.599 54.299 54.840 0.097 0.000 0.812 159 L CB 1.425 43.526 42.059 0.071 0.000 1.257 159 L HN 0.463 nan 8.230 nan 0.000 0.435 160 I N 2.156 122.824 120.570 0.163 0.000 2.498 160 I HA 0.625 4.794 4.170 -0.001 0.000 0.290 160 I C -1.189 175.097 176.117 0.281 0.000 1.032 160 I CA -0.391 61.040 61.300 0.219 0.000 1.073 160 I CB 1.920 40.046 38.000 0.210 0.000 1.251 160 I HN 0.189 nan 8.210 nan 0.000 0.426 161 V N 8.784 128.867 119.914 0.281 0.000 2.407 161 V HA 0.587 4.706 4.120 -0.001 0.000 0.291 161 V C -0.824 175.438 176.094 0.280 0.000 1.018 161 V CA -0.473 61.950 62.300 0.205 0.000 0.842 161 V CB 1.044 32.963 31.823 0.160 0.000 0.996 161 V HN 0.582 nan 8.190 nan 0.000 0.426 162 F N 5.077 125.069 119.950 0.071 0.000 2.601 162 F HA 0.954 5.481 4.527 -0.001 0.000 0.309 162 F C -3.020 172.818 175.800 0.063 0.000 1.089 162 F CA -2.836 55.206 58.000 0.071 0.000 0.940 162 F CB 1.725 40.761 39.000 0.060 0.000 1.273 162 F HN 0.288 nan 8.300 nan 0.000 0.450 163 P HA 0.184 nan 4.420 nan 0.000 0.279 163 P C -1.062 176.352 177.300 0.190 0.000 1.276 163 P CA -0.162 63.000 63.100 0.102 0.000 0.801 163 P CB 1.282 33.053 31.700 0.118 0.000 1.127 164 D N -0.824 119.671 120.400 0.158 0.000 2.378 164 D HA -0.046 4.593 4.640 -0.001 0.000 0.238 164 D C 1.367 177.803 176.300 0.226 0.000 1.180 164 D CA -0.310 53.811 54.000 0.202 0.000 0.895 164 D CB 0.275 41.241 40.800 0.277 0.000 1.192 164 D HN 0.089 nan 8.370 nan 0.000 0.438 165 L N 3.151 124.487 121.223 0.188 0.000 2.043 165 L HA -0.028 4.311 4.340 -0.001 0.000 0.212 165 L C 2.061 179.080 176.870 0.249 0.000 1.075 165 L CA 2.616 57.559 54.840 0.172 0.000 0.752 165 L CB -1.154 40.954 42.059 0.082 0.000 0.891 165 L HN 0.672 nan 8.230 nan 0.000 0.432 166 G N -1.301 107.719 108.800 0.367 0.000 2.440 166 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.218 166 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.218 166 G C 1.543 176.562 174.900 0.199 0.000 1.154 166 G CA 1.103 46.435 45.100 0.386 0.000 0.767 166 G HN 0.363 nan 8.290 nan 0.000 0.552 167 V N 0.647 120.673 119.914 0.187 0.000 2.427 167 V HA -0.134 3.986 4.120 -0.001 0.000 0.248 167 V C 2.921 179.098 176.094 0.138 0.000 1.051 167 V CA 1.757 64.136 62.300 0.131 0.000 1.048 167 V CB -0.426 31.465 31.823 0.114 0.000 0.666 167 V HN 0.326 nan 8.190 nan 0.000 0.456 168 R N -0.283 120.308 120.500 0.152 0.000 2.081 168 R HA -0.127 4.212 4.340 -0.001 0.000 0.235 168 R C 2.228 178.589 176.300 0.102 0.000 1.131 168 R CA 1.485 57.666 56.100 0.135 0.000 0.960 168 R CB -0.626 29.749 30.300 0.124 0.000 0.856 168 R HN 0.423 nan 8.270 nan 0.000 0.436 169 V N 0.390 120.359 119.914 0.091 0.000 2.427 169 V HA -0.285 3.835 4.120 -0.001 0.000 0.248 169 V C 2.487 178.607 176.094 0.043 0.000 1.051 169 V CA 1.486 63.808 62.300 0.037 0.000 1.048 169 V CB -0.457 31.379 31.823 0.021 0.000 0.666 169 V HN 0.446 nan 8.190 nan 0.000 0.456 170 C N -0.100 119.266 119.300 0.110 0.000 2.425 170 C HA -0.132 4.328 4.460 -0.001 0.000 0.277 170 C C 2.673 177.818 174.990 0.257 0.000 1.280 170 C CA 0.879 60.034 59.018 0.228 0.000 1.744 170 C CB -0.958 26.962 27.740 0.300 0.000 1.989 170 C HN 0.622 nan 8.230 nan 0.000 0.491 171 E N 0.805 121.118 120.200 0.189 0.000 2.085 171 E HA -0.227 4.123 4.350 -0.001 0.000 0.194 171 E C 2.150 178.859 176.600 0.180 0.000 0.994 171 E CA 1.186 57.708 56.400 0.203 0.000 0.801 171 E CB -0.160 29.668 29.700 0.213 0.000 0.743 171 E HN 0.638 nan 8.360 nan 0.000 0.453 172 K N 0.395 120.870 120.400 0.126 0.000 2.032 172 K HA -0.133 4.187 4.320 -0.001 0.000 0.209 172 K C 2.234 178.886 176.600 0.087 0.000 1.048 172 K CA 1.480 57.827 56.287 0.099 0.000 0.927 172 K CB -0.154 32.329 32.500 -0.029 0.000 0.712 172 K HN 0.119 nan 8.250 nan 0.000 0.441 173 M N 0.240 119.847 119.600 0.011 0.000 2.080 173 M HA -0.187 4.292 4.480 -0.001 0.000 0.260 173 M C 2.421 178.751 176.300 0.049 0.000 1.068 173 M CA 1.826 57.072 55.300 -0.090 0.000 1.109 173 M CB -0.338 32.017 32.600 -0.408 0.000 1.342 173 M HN 0.242 nan 8.290 nan 0.000 0.405 174 A N -0.679 122.281 122.820 0.233 0.000 1.975 174 A HA 0.077 4.396 4.320 -0.001 0.000 0.215 174 A C 1.796 179.469 177.584 0.148 0.000 1.170 174 A CA 1.047 53.260 52.037 0.293 0.000 0.656 174 A CB -0.145 19.085 19.000 0.384 0.000 0.821 174 A HN 0.494 nan 8.150 nan 0.000 0.449 175 L N -3.035 118.262 121.223 0.124 0.000 3.039 175 L HA 0.199 4.538 4.340 -0.001 0.000 0.269 175 L C 1.779 178.682 176.870 0.054 0.000 1.169 175 L CA -0.013 54.845 54.840 0.030 0.000 0.986 175 L CB 0.045 42.084 42.059 -0.034 0.000 1.377 175 L HN 0.419 nan 8.230 nan 0.000 0.575 176 Y N 1.596 121.908 120.300 0.019 0.000 2.128 176 Y HA -0.345 4.205 4.550 -0.001 0.000 0.284 176 Y C 2.198 178.131 175.900 0.055 0.000 1.154 176 Y CA 2.326 60.455 58.100 0.049 0.000 1.149 176 Y CB 0.028 38.505 38.460 0.029 0.000 0.976 176 Y HN 0.246 nan 8.280 nan 0.000 0.505 177 D N -0.815 119.590 120.400 0.008 0.000 2.144 177 D HA -0.157 4.483 4.640 -0.001 0.000 0.199 177 D C 2.172 178.397 176.300 -0.124 0.000 0.984 177 D CA 1.347 55.298 54.000 -0.081 0.000 0.834 177 D CB -0.171 40.645 40.800 0.026 0.000 0.955 177 D HN 0.265 nan 8.370 nan 0.000 0.465 178 V N 0.395 120.247 119.914 -0.103 0.000 2.237 178 V HA -0.216 3.903 4.120 -0.001 0.000 0.245 178 V C 2.670 178.659 176.094 -0.176 0.000 1.046 178 V CA 1.784 64.006 62.300 -0.131 0.000 1.007 178 V CB -0.682 31.037 31.823 -0.174 0.000 0.638 178 V HN 0.343 nan 8.190 nan 0.000 0.445 179 V N -2.338 117.453 119.914 -0.205 0.000 3.078 179 V HA -0.098 4.022 4.120 -0.001 0.000 0.265 179 V C 1.970 177.921 176.094 -0.239 0.000 1.122 179 V CA 2.085 64.262 62.300 -0.206 0.000 1.141 179 V CB -0.434 31.291 31.823 -0.163 0.000 0.735 179 V HN 0.453 nan 8.190 nan 0.000 0.498 180 S N 0.878 116.428 115.700 -0.249 0.000 2.470 180 S HA -0.010 4.459 4.470 -0.001 0.000 0.222 180 S C 1.906 176.412 174.600 -0.157 0.000 1.024 180 S CA 1.291 59.362 58.200 -0.215 0.000 0.931 180 S CB 0.125 63.136 63.200 -0.315 0.000 0.791 180 S HN 0.944 nan 8.310 nan 0.000 0.513 181 T N -0.887 113.568 114.554 -0.164 0.000 2.964 181 T HA 0.300 4.649 4.350 -0.001 0.000 0.249 181 T C 1.654 176.252 174.700 -0.171 0.000 1.000 181 T CA -0.186 61.832 62.100 -0.136 0.000 0.992 181 T CB -0.466 68.347 68.868 -0.092 0.000 1.087 181 T HN 0.210 nan 8.240 nan 0.000 0.489 182 L N 1.858 122.976 121.223 -0.175 0.000 2.017 182 L HA 0.105 4.444 4.340 -0.001 0.000 0.208 182 L C -0.845 175.857 176.870 -0.279 0.000 1.073 182 L CA 1.440 56.180 54.840 -0.168 0.000 0.745 182 L CB -0.852 41.157 42.059 -0.083 0.000 0.894 182 L HN 0.151 nan 8.230 nan 0.000 0.432 183 P HA -0.253 nan 4.420 nan 0.000 0.214 183 P C 1.357 178.208 177.300 -0.748 0.000 1.163 183 P CA 1.412 64.059 63.100 -0.755 0.000 0.889 183 P CB -0.181 30.695 31.700 -1.375 0.000 0.790 184 Q N -0.034 119.376 119.800 -0.649 0.000 2.167 184 Q HA -0.102 4.237 4.340 -0.001 0.000 0.202 184 Q C 1.924 177.797 176.000 -0.212 0.000 0.970 184 Q CA 1.447 57.067 55.803 -0.305 0.000 0.855 184 Q CB -0.713 27.948 28.738 -0.129 0.000 0.911 184 Q HN 0.093 nan 8.270 nan 0.000 0.438 185 V N -0.051 119.740 119.914 -0.205 0.000 2.453 185 V HA -0.172 3.947 4.120 -0.001 0.000 0.247 185 V C 2.464 178.466 176.094 -0.154 0.000 1.048 185 V CA 1.236 63.451 62.300 -0.141 0.000 1.049 185 V CB -0.261 31.494 31.823 -0.113 0.000 0.672 185 V HN 0.115 nan 8.190 nan 0.000 0.457 186 V N -0.642 119.143 119.914 -0.215 0.000 2.407 186 V HA -0.153 3.967 4.120 -0.001 0.000 0.245 186 V C 2.030 177.934 176.094 -0.315 0.000 1.041 186 V CA 2.014 64.175 62.300 -0.232 0.000 1.040 186 V CB -0.373 31.294 31.823 -0.260 0.000 0.671 186 V HN 0.469 nan 8.190 nan 0.000 0.455 187 M N -1.145 118.210 119.600 -0.409 0.000 2.382 187 M HA 0.376 4.856 4.480 -0.001 0.000 0.247 187 M C 1.404 177.601 176.300 -0.172 0.000 1.104 187 M CA 0.740 55.746 55.300 -0.490 0.000 1.030 187 M CB 0.444 32.635 32.600 -0.682 0.000 1.424 187 M HN 0.445 nan 8.290 nan 0.000 0.486 188 G N 1.498 110.220 108.800 -0.130 0.000 2.596 188 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.295 188 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.295 188 G C 0.828 175.685 174.900 -0.071 0.000 1.240 188 G CA 0.751 45.813 45.100 -0.064 0.000 0.985 188 G HN 0.532 nan 8.290 nan 0.000 0.555 189 S N -0.705 114.969 115.700 -0.044 0.000 2.500 189 S HA 0.031 4.501 4.470 -0.001 0.000 0.239 189 S C 2.188 176.627 174.600 -0.268 0.000 0.989 189 S CA 2.044 60.147 58.200 -0.162 0.000 0.951 189 S CB -0.150 63.017 63.200 -0.056 0.000 0.759 189 S HN 1.056 nan 8.310 nan 0.000 0.523 190 S N 0.177 115.862 115.700 -0.026 0.000 2.522 190 S HA 0.121 4.591 4.470 -0.001 0.000 0.227 190 S C 0.223 174.836 174.600 0.022 0.000 0.986 190 S CA -0.103 58.147 58.200 0.083 0.000 0.929 190 S CB -0.402 62.976 63.200 0.296 0.000 0.769 190 S HN 0.702 nan 8.310 nan 0.000 0.529 191 Y N 3.006 123.170 120.300 -0.226 0.000 2.584 191 Y HA 0.441 4.991 4.550 -0.001 0.000 0.351 191 Y C 1.261 176.931 175.900 -0.383 0.000 1.030 191 Y CA -1.460 56.471 58.100 -0.281 0.000 1.332 191 Y CB -0.048 38.243 38.460 -0.283 0.000 1.148 191 Y HN 0.059 nan 8.280 nan 0.000 0.528 192 G N 4.488 112.875 108.800 -0.688 0.000 2.443 192 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.219 192 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.219 192 G C 1.063 175.416 174.900 -0.912 0.000 1.131 192 G CA 0.218 44.914 45.100 -0.673 0.000 0.775 192 G HN 0.636 nan 8.290 nan 0.000 0.547 193 F N 1.371 120.593 119.950 -1.213 0.000 2.722 193 F HA 0.034 4.560 4.527 -0.001 0.000 0.298 193 F C 2.771 178.279 175.800 -0.487 0.000 1.175 193 F CA 0.827 58.201 58.000 -1.044 0.000 1.462 193 F CB -0.116 38.266 39.000 -1.030 0.000 1.111 193 F HN 0.402 nan 8.300 nan 0.000 0.592 194 Q N -1.024 118.487 119.800 -0.482 0.000 2.425 194 Q HA -0.029 4.311 4.340 -0.001 0.000 0.204 194 Q C -0.623 175.255 176.000 -0.203 0.000 0.933 194 Q CA 0.549 56.200 55.803 -0.252 0.000 0.939 194 Q CB -0.214 28.292 28.738 -0.388 0.000 1.044 194 Q HN 0.280 nan 8.270 nan 0.000 0.513 195 Y N 1.679 121.975 120.300 -0.007 0.000 2.361 195 Y HA 0.349 4.898 4.550 -0.001 0.000 0.332 195 Y C 0.619 176.365 175.900 -0.257 0.000 1.101 195 Y CA -1.305 56.746 58.100 -0.083 0.000 1.137 195 Y CB 1.521 39.896 38.460 -0.141 0.000 1.207 195 Y HN 0.097 nan 8.280 nan 0.000 0.463 196 S N 2.099 117.578 115.700 -0.368 0.000 2.655 196 S HA 0.312 4.781 4.470 -0.001 0.000 0.265 196 S C -2.054 172.225 174.600 -0.535 0.000 1.240 196 S CA -1.090 56.410 58.200 -1.166 0.000 0.986 196 S CB 1.321 64.045 63.200 -0.794 0.000 0.985 196 S HN 0.405 nan 8.310 nan 0.000 0.562 197 P HA 0.009 nan 4.420 nan 0.000 0.215 197 P C 1.749 178.988 177.300 -0.102 0.000 1.157 197 P CA 1.718 64.704 63.100 -0.191 0.000 0.868 197 P CB -0.550 31.112 31.700 -0.063 0.000 0.788 198 G N -0.294 108.437 108.800 -0.115 0.000 2.422 198 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.218 198 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.218 198 G C 1.488 176.346 174.900 -0.071 0.000 1.146 198 G CA 0.619 45.695 45.100 -0.041 0.000 0.769 198 G HN 0.327 nan 8.290 nan 0.000 0.547 199 Q N -0.527 119.210 119.800 -0.105 0.000 2.172 199 Q HA 0.027 4.367 4.340 -0.001 0.000 0.200 199 Q C 2.564 178.399 176.000 -0.276 0.000 0.964 199 Q CA 0.750 56.490 55.803 -0.104 0.000 0.855 199 Q CB -0.097 28.665 28.738 0.039 0.000 0.918 199 Q HN 0.459 nan 8.270 nan 0.000 0.444 200 R N 0.539 120.909 120.500 -0.217 0.000 2.066 200 R HA -0.117 4.222 4.340 -0.001 0.000 0.232 200 R C 2.114 178.315 176.300 -0.166 0.000 1.131 200 R CA 1.181 57.132 56.100 -0.249 0.000 0.955 200 R CB -0.113 30.139 30.300 -0.080 0.000 0.851 200 R HN 0.089 nan 8.270 nan 0.000 0.432 201 V N 1.518 121.367 119.914 -0.109 0.000 2.332 201 V HA -0.264 3.855 4.120 -0.001 0.000 0.248 201 V C 2.370 178.391 176.094 -0.123 0.000 1.055 201 V CA 2.308 64.550 62.300 -0.097 0.000 1.038 201 V CB -0.652 31.153 31.823 -0.030 0.000 0.651 201 V HN 0.507 nan 8.190 nan 0.000 0.450 202 E N -0.375 119.766 120.200 -0.098 0.000 2.077 202 E HA -0.274 4.075 4.350 -0.001 0.000 0.193 202 E C 2.103 178.643 176.600 -0.099 0.000 0.989 202 E CA 1.668 58.019 56.400 -0.082 0.000 0.800 202 E CB -0.213 29.459 29.700 -0.046 0.000 0.746 202 E HN 0.553 nan 8.360 nan 0.000 0.452 203 F N 1.091 120.854 119.950 -0.312 0.000 2.146 203 F HA -0.096 4.431 4.527 -0.001 0.000 0.298 203 F C 1.863 177.542 175.800 -0.202 0.000 1.096 203 F CA 1.166 58.978 58.000 -0.312 0.000 1.275 203 F CB -0.164 38.476 39.000 -0.600 0.000 1.008 203 F HN 0.009 nan 8.300 nan 0.000 0.480 204 L N -0.895 120.175 121.223 -0.255 0.000 2.027 204 L HA -0.210 4.129 4.340 -0.001 0.000 0.206 204 L C 2.390 179.104 176.870 -0.260 0.000 1.074 204 L CA 1.057 55.731 54.840 -0.276 0.000 0.745 204 L CB -0.826 41.121 42.059 -0.186 0.000 0.898 204 L HN -0.020 nan 8.230 nan 0.000 0.433 205 V N 0.083 119.832 119.914 -0.275 0.000 2.295 205 V HA -0.263 3.856 4.120 -0.001 0.000 0.246 205 V C 2.198 178.190 176.094 -0.171 0.000 1.049 205 V CA 1.845 63.965 62.300 -0.299 0.000 1.024 205 V CB -0.656 30.902 31.823 -0.442 0.000 0.648 205 V HN 0.483 nan 8.190 nan 0.000 0.447 206 N N -0.027 118.564 118.700 -0.181 0.000 2.188 206 N HA -0.124 4.615 4.740 -0.001 0.000 0.184 206 N C 1.894 177.298 175.510 -0.177 0.000 1.018 206 N CA 1.828 54.795 53.050 -0.139 0.000 0.858 206 N CB -0.564 37.859 38.487 -0.106 0.000 0.989 206 N HN 0.456 nan 8.380 nan 0.000 0.426 207 T N 0.491 114.851 114.554 -0.323 0.000 2.777 207 T HA -0.131 4.218 4.350 -0.001 0.000 0.266 207 T C 1.490 176.097 174.700 -0.155 0.000 1.040 207 T CA 0.583 62.478 62.100 -0.341 0.000 1.141 207 T CB -0.203 68.301 68.868 -0.606 0.000 0.868 207 T HN 0.422 nan 8.240 nan 0.000 0.444 208 W N 2.344 123.479 121.300 -0.275 0.000 2.338 208 W HA -0.111 4.548 4.660 -0.001 0.000 0.304 208 W C 1.681 178.112 176.519 -0.146 0.000 1.212 208 W CA 1.232 58.458 57.345 -0.197 0.000 1.264 208 W CB -0.171 29.164 29.460 -0.208 0.000 1.142 208 W HN 0.264 nan 8.180 nan 0.000 0.512 209 K N 0.242 120.662 120.400 0.033 0.000 2.365 209 K HA -0.110 4.209 4.320 -0.001 0.000 0.199 209 K C 2.078 178.628 176.600 -0.084 0.000 1.045 209 K CA 1.461 57.738 56.287 -0.018 0.000 0.962 209 K CB -0.241 32.266 32.500 0.012 0.000 0.759 209 K HN 0.045 nan 8.250 nan 0.000 0.469 210 S N 0.381 116.014 115.700 -0.111 0.000 2.522 210 S HA 0.029 4.498 4.470 -0.001 0.000 0.227 210 S C 0.477 175.000 174.600 -0.129 0.000 0.986 210 S CA 0.183 58.321 58.200 -0.103 0.000 0.929 210 S CB 0.070 63.210 63.200 -0.099 0.000 0.769 210 S HN -0.048 nan 8.310 nan 0.000 0.529 211 K N 1.896 122.177 120.400 -0.198 0.000 2.130 211 K HA 0.400 4.719 4.320 -0.001 0.000 0.268 211 K C 0.558 177.040 176.600 -0.196 0.000 0.983 211 K CA -0.493 55.664 56.287 -0.217 0.000 0.893 211 K CB 1.242 33.547 32.500 -0.325 0.000 1.066 211 K HN 0.131 nan 8.250 nan 0.000 0.450 212 K N 1.136 121.452 120.400 -0.140 0.000 1.991 212 K HA -0.084 4.235 4.320 -0.001 0.000 0.212 212 K C 0.203 176.727 176.600 -0.126 0.000 1.049 212 K CA 1.236 57.460 56.287 -0.106 0.000 0.932 212 K CB 0.073 32.528 32.500 -0.075 0.000 0.717 212 K HN 0.440 nan 8.250 nan 0.000 0.441 213 N N 1.400 120.015 118.700 -0.141 0.000 2.804 213 N HA 0.205 4.945 4.740 -0.001 0.000 0.251 213 N C -2.790 172.591 175.510 -0.215 0.000 1.250 213 N CA -1.237 51.733 53.050 -0.133 0.000 0.820 213 N CB 1.431 39.876 38.487 -0.069 0.000 1.156 213 N HN 0.080 nan 8.380 nan 0.000 0.512 214 P HA 0.043 nan 4.420 nan 0.000 0.266 214 P C -0.231 176.695 177.300 -0.623 0.000 1.195 214 P CA -0.074 62.525 63.100 -0.835 0.000 0.768 214 P CB 1.120 31.687 31.700 -1.887 0.000 0.838 215 M N 2.294 121.602 119.600 -0.486 0.000 2.433 215 M HA 0.659 5.139 4.480 -0.001 0.000 0.290 215 M C -1.231 175.008 176.300 -0.101 0.000 1.173 215 M CA -0.345 54.806 55.300 -0.248 0.000 0.905 215 M CB 2.485 35.013 32.600 -0.121 0.000 1.692 215 M HN 0.591 nan 8.290 nan 0.000 0.462 216 G N 3.476 112.326 108.800 0.083 0.000 2.690 216 G HA2 0.827 4.786 3.960 -0.001 0.000 0.293 216 G HA3 0.827 4.786 3.960 -0.001 0.000 0.293 216 G C -2.089 172.930 174.900 0.200 0.000 1.399 216 G CA -0.608 44.603 45.100 0.184 0.000 0.890 216 G HN 0.854 nan 8.290 nan 0.000 0.485 217 F N -0.473 119.439 119.950 -0.062 0.000 2.665 217 F HA 0.787 5.314 4.527 -0.001 0.000 0.308 217 F C -0.346 175.435 175.800 -0.031 0.000 1.112 217 F CA -1.476 56.485 58.000 -0.065 0.000 0.972 217 F CB 1.287 40.231 39.000 -0.094 0.000 1.295 217 F HN 0.665 nan 8.300 nan 0.000 0.440 218 S N 1.449 117.179 115.700 0.051 0.000 2.565 218 S HA 0.648 5.118 4.470 -0.001 0.000 0.290 218 S C -1.555 173.167 174.600 0.204 0.000 1.150 218 S CA -0.587 57.615 58.200 0.004 0.000 1.058 218 S CB 1.650 64.859 63.200 0.015 0.000 1.032 218 S HN 0.868 nan 8.310 nan 0.000 0.510 219 Y N 1.568 121.918 120.300 0.084 0.000 2.328 219 Y HA 0.449 4.998 4.550 -0.001 0.000 0.333 219 Y C -0.902 175.108 175.900 0.182 0.000 0.958 219 Y CA -0.879 57.361 58.100 0.234 0.000 1.167 219 Y CB 1.306 39.994 38.460 0.379 0.000 1.151 219 Y HN 0.865 nan 8.280 nan 0.000 0.470 220 D N 4.380 124.596 120.400 -0.306 0.000 2.412 220 D HA 0.230 4.869 4.640 -0.001 0.000 0.224 220 D C -0.795 175.352 176.300 -0.255 0.000 1.093 220 D CA -0.088 53.812 54.000 -0.167 0.000 0.850 220 D CB 0.960 41.701 40.800 -0.098 0.000 1.046 220 D HN 0.468 nan 8.370 nan 0.000 0.507 221 T N 4.013 118.599 114.554 0.052 0.000 2.832 221 T HA 0.159 4.508 4.350 -0.001 0.000 0.296 221 T C 0.296 175.094 174.700 0.162 0.000 0.968 221 T CA -0.608 61.610 62.100 0.198 0.000 1.107 221 T CB 0.854 70.049 68.868 0.545 0.000 0.916 221 T HN 0.269 nan 8.240 nan 0.000 0.517 222 R N 2.575 123.133 120.500 0.096 0.000 2.351 222 R HA 0.078 4.418 4.340 -0.001 0.000 0.318 222 R C 0.136 176.547 176.300 0.185 0.000 1.055 222 R CA -0.102 56.050 56.100 0.087 0.000 0.968 222 R CB -0.833 29.462 30.300 -0.008 0.000 0.974 222 R HN 0.955 nan 8.270 nan 0.000 0.439 223 C N 6.634 126.074 119.300 0.233 0.000 3.514 223 C HA -0.196 4.263 4.460 -0.001 0.000 0.286 223 C C 1.357 176.562 174.990 0.358 0.000 1.302 223 C CA 0.190 59.396 59.018 0.313 0.000 2.239 223 C CB -2.457 25.527 27.740 0.406 0.000 1.429 223 C HN 1.017 nan 8.230 nan 0.000 0.565 224 F N 1.912 121.984 119.950 0.203 0.000 2.087 224 F HA -0.130 4.396 4.527 -0.001 0.000 0.299 224 F C 1.818 177.728 175.800 0.184 0.000 1.100 224 F CA 2.579 60.697 58.000 0.197 0.000 1.226 224 F CB -0.129 38.975 39.000 0.172 0.000 0.983 224 F HN 0.582 nan 8.300 nan 0.000 0.479 225 D N -0.367 120.291 120.400 0.430 0.000 2.133 225 D HA -0.182 4.457 4.640 -0.001 0.000 0.195 225 D C 2.431 178.799 176.300 0.113 0.000 0.997 225 D CA 1.819 55.991 54.000 0.286 0.000 0.840 225 D CB -0.581 40.379 40.800 0.267 0.000 0.947 225 D HN 0.255 nan 8.370 nan 0.000 0.452 226 S N -0.680 115.094 115.700 0.123 0.000 2.481 226 S HA -0.087 4.382 4.470 -0.001 0.000 0.231 226 S C 1.964 176.521 174.600 -0.073 0.000 0.996 226 S CA 1.265 59.428 58.200 -0.062 0.000 0.942 226 S CB -0.162 62.945 63.200 -0.155 0.000 0.768 226 S HN 0.523 nan 8.310 nan 0.000 0.520 227 T N -0.625 113.972 114.554 0.072 0.000 3.088 227 T HA 0.146 4.495 4.350 -0.001 0.000 0.259 227 T C 0.591 175.225 174.700 -0.110 0.000 1.122 227 T CA -0.017 62.120 62.100 0.062 0.000 1.095 227 T CB -0.366 68.490 68.868 -0.021 0.000 0.930 227 T HN 0.028 nan 8.240 nan 0.000 0.508 228 V N 4.045 123.858 119.914 -0.168 0.000 2.479 228 V HA 0.329 4.449 4.120 -0.001 0.000 0.281 228 V C 1.164 177.209 176.094 -0.081 0.000 1.031 228 V CA -0.170 62.052 62.300 -0.129 0.000 1.038 228 V CB 0.122 31.914 31.823 -0.051 0.000 0.981 228 V HN 0.730 nan 8.190 nan 0.000 0.478 229 T N 0.856 115.376 114.554 -0.057 0.000 2.884 229 T HA 0.324 4.673 4.350 -0.001 0.000 0.277 229 T C 1.039 175.723 174.700 -0.027 0.000 0.976 229 T CA -0.255 61.817 62.100 -0.047 0.000 0.956 229 T CB 1.467 70.313 68.868 -0.036 0.000 1.113 229 T HN 0.661 nan 8.240 nan 0.000 0.554 230 E N 0.292 120.478 120.200 -0.024 0.000 2.077 230 E HA -0.246 4.103 4.350 -0.001 0.000 0.193 230 E C 1.954 178.556 176.600 0.004 0.000 0.989 230 E CA 1.546 57.943 56.400 -0.004 0.000 0.800 230 E CB -0.242 29.456 29.700 -0.004 0.000 0.746 230 E HN 0.752 nan 8.360 nan 0.000 0.452 231 N N 0.790 119.488 118.700 -0.003 0.000 2.036 231 N HA -0.214 4.526 4.740 -0.001 0.000 0.195 231 N C 1.493 177.016 175.510 0.022 0.000 1.037 231 N CA 2.233 55.286 53.050 0.005 0.000 0.855 231 N CB -0.156 38.323 38.487 -0.014 0.000 1.033 231 N HN 0.131 nan 8.380 nan 0.000 0.423 232 D N 0.145 120.557 120.400 0.020 0.000 2.116 232 D HA -0.153 4.487 4.640 -0.001 0.000 0.193 232 D C 2.006 178.318 176.300 0.020 0.000 0.998 232 D CA 1.204 55.227 54.000 0.037 0.000 0.836 232 D CB -0.350 40.466 40.800 0.026 0.000 0.951 232 D HN 0.477 nan 8.370 nan 0.000 0.449 233 I N 0.469 121.052 120.570 0.021 0.000 2.394 233 I HA -0.186 3.983 4.170 -0.001 0.000 0.251 233 I C 2.488 178.618 176.117 0.022 0.000 1.136 233 I CA 0.841 62.161 61.300 0.032 0.000 1.425 233 I CB -0.086 37.954 38.000 0.067 0.000 1.079 233 I HN -0.104 nan 8.210 nan 0.000 0.425 234 R N 0.005 120.517 120.500 0.019 0.000 2.090 234 R HA -0.051 4.288 4.340 -0.001 0.000 0.228 234 R C 2.325 178.610 176.300 -0.025 0.000 1.110 234 R CA 0.857 56.964 56.100 0.012 0.000 0.973 234 R CB -0.242 30.068 30.300 0.016 0.000 0.869 234 R HN 0.187 nan 8.270 nan 0.000 0.440 235 V N 1.314 121.213 119.914 -0.025 0.000 2.427 235 V HA -0.217 3.902 4.120 -0.001 0.000 0.248 235 V C 1.864 177.868 176.094 -0.151 0.000 1.051 235 V CA 1.740 64.009 62.300 -0.051 0.000 1.048 235 V CB -0.321 31.506 31.823 0.006 0.000 0.666 235 V HN 0.332 nan 8.190 nan 0.000 0.456 236 E N -0.418 119.667 120.200 -0.192 0.000 2.077 236 E HA -0.244 4.105 4.350 -0.001 0.000 0.193 236 E C 2.363 178.511 176.600 -0.753 0.000 0.989 236 E CA 1.240 57.377 56.400 -0.440 0.000 0.800 236 E CB -0.144 29.358 29.700 -0.329 0.000 0.746 236 E HN 0.528 nan 8.360 nan 0.000 0.452 237 E N 0.633 120.622 120.200 -0.351 0.000 2.077 237 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 237 E C 2.146 178.678 176.600 -0.113 0.000 0.989 237 E CA 1.497 57.815 56.400 -0.137 0.000 0.800 237 E CB 0.009 29.747 29.700 0.065 0.000 0.746 237 E HN 0.236 nan 8.360 nan 0.000 0.452 238 S N 0.307 115.938 115.700 -0.115 0.000 2.399 238 S HA -0.125 4.344 4.470 -0.001 0.000 0.231 238 S C 2.172 176.718 174.600 -0.090 0.000 1.022 238 S CA 1.002 59.160 58.200 -0.070 0.000 0.983 238 S CB -0.547 62.619 63.200 -0.058 0.000 0.803 238 S HN 0.273 nan 8.310 nan 0.000 0.480 239 I N 0.043 120.499 120.570 -0.190 0.000 2.233 239 I HA -0.114 4.056 4.170 -0.001 0.000 0.243 239 I C 2.326 178.415 176.117 -0.048 0.000 1.093 239 I CA 1.242 62.446 61.300 -0.161 0.000 1.380 239 I CB -0.519 37.336 38.000 -0.242 0.000 1.067 239 I HN 0.213 nan 8.210 nan 0.000 0.413 240 Y N 1.140 121.430 120.300 -0.017 0.000 2.165 240 Y HA -0.236 4.313 4.550 -0.001 0.000 0.286 240 Y C 2.679 178.578 175.900 -0.001 0.000 1.155 240 Y CA 0.718 58.812 58.100 -0.010 0.000 1.164 240 Y CB -1.108 37.361 38.460 0.014 0.000 0.978 240 Y HN 0.227 nan 8.280 nan 0.000 0.513 241 Q N -1.130 118.763 119.800 0.155 0.000 2.364 241 Q HA -0.138 4.202 4.340 -0.001 0.000 0.209 241 Q C 2.327 178.358 176.000 0.052 0.000 0.977 241 Q CA 0.970 56.827 55.803 0.090 0.000 0.885 241 Q CB -0.861 27.914 28.738 0.061 0.000 0.941 241 Q HN 0.521 nan 8.270 nan 0.000 0.464 242 C N 0.061 119.384 119.300 0.037 0.000 2.448 242 C HA -0.025 4.435 4.460 -0.001 0.000 0.280 242 C C 1.562 176.564 174.990 0.020 0.000 1.398 242 C CA -0.708 58.320 59.018 0.016 0.000 1.774 242 C CB -0.661 27.077 27.740 -0.004 0.000 1.888 242 C HN 0.409 nan 8.230 nan 0.000 0.519 243 C N 1.778 121.100 119.300 0.037 0.000 2.700 243 C HA 0.129 4.589 4.460 -0.001 0.000 0.397 243 C C 0.557 175.563 174.990 0.026 0.000 1.301 243 C CA -0.287 58.748 59.018 0.028 0.000 2.219 243 C CB -0.200 27.562 27.740 0.037 0.000 2.699 243 C HN 0.498 nan 8.230 nan 0.000 0.669 244 D N 1.630 122.041 120.400 0.017 0.000 2.336 244 D HA 0.461 5.100 4.640 -0.001 0.000 0.249 244 D C -0.650 175.664 176.300 0.024 0.000 1.213 244 D CA 0.353 54.364 54.000 0.018 0.000 0.870 244 D CB 0.084 40.891 40.800 0.012 0.000 1.076 244 D HN 0.399 nan 8.370 nan 0.000 0.483 245 L N 1.892 123.133 121.223 0.032 0.000 2.350 245 L HA 0.645 4.984 4.340 -0.001 0.000 0.260 245 L C 0.255 177.151 176.870 0.043 0.000 1.015 245 L CA -1.417 53.447 54.840 0.041 0.000 0.821 245 L CB 1.802 43.892 42.059 0.051 0.000 1.370 245 L HN 0.318 nan 8.230 nan 0.000 0.416 246 A N 1.300 124.152 122.820 0.054 0.000 2.425 246 A HA 0.404 4.723 4.320 -0.001 0.000 0.249 246 A C -1.867 175.756 177.584 0.064 0.000 1.084 246 A CA -0.963 51.109 52.037 0.058 0.000 0.781 246 A CB -0.004 19.039 19.000 0.071 0.000 1.019 246 A HN 0.620 nan 8.150 nan 0.000 0.490 247 P HA -0.205 nan 4.420 nan 0.000 0.216 247 P C 1.296 178.627 177.300 0.051 0.000 1.150 247 P CA 1.724 64.850 63.100 0.043 0.000 0.843 247 P CB 0.256 31.977 31.700 0.034 0.000 0.787 248 E N -0.483 119.768 120.200 0.086 0.000 2.106 248 E HA -0.165 4.185 4.350 -0.001 0.000 0.192 248 E C 1.908 178.588 176.600 0.133 0.000 0.984 248 E CA 1.090 57.562 56.400 0.120 0.000 0.806 248 E CB -0.464 29.376 29.700 0.233 0.000 0.750 248 E HN 0.087 nan 8.360 nan 0.000 0.458 249 A N 1.114 124.034 122.820 0.167 0.000 1.930 249 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 249 A C 2.119 179.753 177.584 0.083 0.000 1.175 249 A CA 1.124 53.265 52.037 0.173 0.000 0.627 249 A CB -0.343 18.748 19.000 0.151 0.000 0.815 249 A HN 0.159 nan 8.150 nan 0.000 0.443 250 R N -1.059 119.476 120.500 0.058 0.000 2.081 250 R HA -0.173 4.166 4.340 -0.001 0.000 0.235 250 R C 2.480 178.783 176.300 0.005 0.000 1.131 250 R CA 1.680 57.804 56.100 0.040 0.000 0.960 250 R CB -0.267 30.053 30.300 0.034 0.000 0.856 250 R HN 0.625 nan 8.270 nan 0.000 0.436 251 Q N 0.686 120.468 119.800 -0.030 0.000 2.079 251 Q HA -0.078 4.261 4.340 -0.001 0.000 0.200 251 Q C 1.929 177.840 176.000 -0.147 0.000 0.974 251 Q CA 1.969 57.721 55.803 -0.084 0.000 0.840 251 Q CB -0.200 28.473 28.738 -0.109 0.000 0.898 251 Q HN 0.335 nan 8.270 nan 0.000 0.430 252 A N 0.043 122.736 122.820 -0.212 0.000 1.933 252 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 252 A C 2.094 179.600 177.584 -0.130 0.000 1.175 252 A CA 1.421 53.269 52.037 -0.316 0.000 0.628 252 A CB -0.662 18.029 19.000 -0.514 0.000 0.814 252 A HN 0.485 nan 8.150 nan 0.000 0.444 253 I N -0.672 119.886 120.570 -0.019 0.000 2.353 253 I HA -0.216 3.954 4.170 -0.001 0.000 0.248 253 I C 2.508 178.664 176.117 0.066 0.000 1.119 253 I CA 1.692 63.034 61.300 0.069 0.000 1.417 253 I CB -0.200 37.873 38.000 0.121 0.000 1.078 253 I HN 0.393 nan 8.210 nan 0.000 0.421 254 K N 0.582 120.995 120.400 0.023 0.000 2.057 254 K HA -0.188 4.132 4.320 -0.001 0.000 0.206 254 K C 2.343 178.923 176.600 -0.034 0.000 1.050 254 K CA 1.710 58.006 56.287 0.014 0.000 0.935 254 K CB -0.076 32.421 32.500 -0.004 0.000 0.715 254 K HN 0.075 nan 8.250 nan 0.000 0.439 255 S N 0.700 116.348 115.700 -0.087 0.000 2.356 255 S HA -0.071 4.398 4.470 -0.001 0.000 0.223 255 S C 1.922 176.423 174.600 -0.167 0.000 1.032 255 S CA 1.119 59.242 58.200 -0.128 0.000 1.005 255 S CB -0.251 62.840 63.200 -0.180 0.000 0.867 255 S HN 0.354 nan 8.310 nan 0.000 0.449 256 L N 0.684 121.777 121.223 -0.216 0.000 2.083 256 L HA -0.103 4.237 4.340 -0.001 0.000 0.209 256 L C 2.727 179.266 176.870 -0.552 0.000 1.083 256 L CA 1.465 56.042 54.840 -0.438 0.000 0.752 256 L CB -0.990 40.773 42.059 -0.493 0.000 0.899 256 L HN 0.342 nan 8.230 nan 0.000 0.433 257 T N -0.963 113.488 114.554 -0.172 0.000 2.674 257 T HA -0.152 4.198 4.350 -0.001 0.000 0.265 257 T C 1.802 176.505 174.700 0.006 0.000 1.039 257 T CA 1.185 63.328 62.100 0.073 0.000 1.150 257 T CB -0.093 68.890 68.868 0.192 0.000 0.864 257 T HN 0.282 nan 8.240 nan 0.000 0.427 258 E N 1.194 121.379 120.200 -0.025 0.000 2.077 258 E HA -0.052 4.297 4.350 -0.001 0.000 0.193 258 E C 2.354 178.933 176.600 -0.036 0.000 0.989 258 E CA 1.065 57.453 56.400 -0.019 0.000 0.800 258 E CB -0.166 29.519 29.700 -0.024 0.000 0.746 258 E HN 0.483 nan 8.360 nan 0.000 0.452 259 R N -0.506 119.943 120.500 -0.085 0.000 2.223 259 R HA 0.108 4.447 4.340 -0.001 0.000 0.198 259 R C 1.912 178.150 176.300 -0.104 0.000 0.984 259 R CA 0.343 56.394 56.100 -0.081 0.000 1.018 259 R CB 0.235 30.479 30.300 -0.094 0.000 0.945 259 R HN 0.053 nan 8.270 nan 0.000 0.479 260 L N -2.155 118.962 121.223 -0.176 0.000 2.691 260 L HA 0.192 4.531 4.340 -0.001 0.000 0.185 260 L C 1.322 178.182 176.870 -0.017 0.000 1.081 260 L CA 0.653 55.397 54.840 -0.159 0.000 0.865 260 L CB -0.238 41.653 42.059 -0.279 0.000 1.370 260 L HN -0.150 nan 8.230 nan 0.000 0.488 261 Y N 0.687 121.000 120.300 0.022 0.000 2.145 261 Y HA -0.104 4.445 4.550 -0.001 0.000 0.286 261 Y C 2.580 178.484 175.900 0.007 0.000 1.145 261 Y CA 1.600 59.721 58.100 0.034 0.000 1.148 261 Y CB -1.014 37.491 38.460 0.074 0.000 0.981 261 Y HN 0.129 nan 8.280 nan 0.000 0.507 262 I N -0.963 119.697 120.570 0.150 0.000 2.493 262 I HA -0.042 4.127 4.170 -0.001 0.000 0.254 262 I C 1.183 177.305 176.117 0.008 0.000 1.160 262 I CA 1.238 62.580 61.300 0.071 0.000 1.445 262 I CB -0.467 37.567 38.000 0.057 0.000 1.086 262 I HN 0.316 nan 8.210 nan 0.000 0.433 263 G N -0.830 107.952 108.800 -0.030 0.000 2.341 263 G HA2 0.469 4.428 3.960 -0.001 0.000 0.293 263 G HA3 0.469 4.428 3.960 -0.001 0.000 0.293 263 G C -0.980 173.745 174.900 -0.292 0.000 1.298 263 G CA -0.196 44.804 45.100 -0.167 0.000 0.868 263 G HN 0.389 nan 8.290 nan 0.000 0.540 264 G N -0.946 107.392 108.800 -0.769 0.000 2.313 264 G HA2 0.728 4.687 3.960 -0.001 0.000 0.296 264 G HA3 0.728 4.687 3.960 -0.001 0.000 0.296 264 G C -3.460 170.839 174.900 -1.001 0.000 1.356 264 G CA 0.139 44.784 45.100 -0.757 0.000 0.833 264 G HN 0.807 nan 8.290 nan 0.000 0.552 265 P HA 0.462 nan 4.420 nan 0.000 0.275 265 P C -0.604 176.624 177.300 -0.120 0.000 1.228 265 P CA -0.183 62.837 63.100 -0.133 0.000 0.786 265 P CB 1.337 33.076 31.700 0.064 0.000 0.927 266 L N 2.316 123.511 121.223 -0.046 0.000 2.313 266 L HA 0.452 4.792 4.340 -0.001 0.000 0.283 266 L C 0.442 177.326 176.870 0.022 0.000 1.013 266 L CA -0.235 54.601 54.840 -0.007 0.000 0.816 266 L CB 1.623 43.719 42.059 0.063 0.000 1.236 266 L HN 0.287 nan 8.230 nan 0.000 0.419 267 T N 1.359 115.902 114.554 -0.019 0.000 2.824 267 T HA 0.337 4.686 4.350 -0.001 0.000 0.282 267 T C -0.188 174.494 174.700 -0.030 0.000 0.993 267 T CA -0.868 61.221 62.100 -0.018 0.000 0.967 267 T CB 1.479 70.320 68.868 -0.045 0.000 0.960 267 T HN 0.633 nan 8.240 nan 0.000 0.441 268 N N 0.771 119.469 118.700 -0.003 0.000 2.364 268 N HA 0.114 4.854 4.740 -0.001 0.000 0.264 268 N C 1.456 176.955 175.510 -0.018 0.000 1.263 268 N CA -0.316 52.731 53.050 -0.004 0.000 0.959 268 N CB 0.119 38.613 38.487 0.011 0.000 1.204 268 N HN 0.466 nan 8.380 nan 0.000 0.550 269 S N -1.121 114.577 115.700 -0.004 0.000 2.469 269 S HA -0.127 4.342 4.470 -0.001 0.000 0.238 269 S C 1.022 175.617 174.600 -0.009 0.000 0.998 269 S CA 0.769 58.968 58.200 -0.000 0.000 0.957 269 S CB -0.443 62.770 63.200 0.022 0.000 0.764 269 S HN 0.634 nan 8.310 nan 0.000 0.514 270 K N 0.450 120.846 120.400 -0.007 0.000 2.393 270 K HA 0.272 4.592 4.320 -0.001 0.000 0.193 270 K C 1.265 177.856 176.600 -0.015 0.000 1.026 270 K CA 0.400 56.681 56.287 -0.009 0.000 1.064 270 K CB 0.002 32.501 32.500 -0.002 0.000 0.833 270 K HN 0.548 nan 8.250 nan 0.000 0.521 271 G N 1.667 110.455 108.800 -0.020 0.000 2.157 271 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.239 271 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.239 271 G C -0.271 174.625 174.900 -0.008 0.000 0.982 271 G CA -0.255 44.831 45.100 -0.024 0.000 0.650 271 G HN 0.318 nan 8.290 nan 0.000 0.527 272 Q N 0.174 119.975 119.800 0.002 0.000 2.259 272 Q HA 0.325 4.665 4.340 -0.001 0.000 0.249 272 Q C 0.338 176.356 176.000 0.030 0.000 0.914 272 Q CA -0.523 55.290 55.803 0.017 0.000 0.904 272 Q CB 1.033 29.784 28.738 0.021 0.000 1.213 272 Q HN 0.405 nan 8.270 nan 0.000 0.428 273 N N 1.579 120.304 118.700 0.042 0.000 2.431 273 N HA 0.004 4.743 4.740 -0.001 0.000 0.265 273 N C -0.171 175.396 175.510 0.094 0.000 1.184 273 N CA -0.410 52.676 53.050 0.061 0.000 0.943 273 N CB 0.511 39.035 38.487 0.062 0.000 1.080 273 N HN 0.598 nan 8.380 nan 0.000 0.477 274 C N 2.976 122.352 119.300 0.127 0.000 2.634 274 C HA 0.393 4.852 4.460 -0.001 0.000 0.268 274 C C 1.221 176.403 174.990 0.319 0.000 1.322 274 C CA 0.483 59.633 59.018 0.220 0.000 1.737 274 C CB -1.101 26.790 27.740 0.252 0.000 1.976 274 C HN 0.970 nan 8.230 nan 0.000 0.547 275 G N -1.390 107.521 108.800 0.185 0.000 2.373 275 G HA2 0.277 4.236 3.960 -0.001 0.000 0.250 275 G HA3 0.277 4.236 3.960 -0.001 0.000 0.250 275 G C -2.109 172.833 174.900 0.070 0.000 1.304 275 G CA -0.436 44.725 45.100 0.101 0.000 0.948 275 G HN 0.017 nan 8.290 nan 0.000 0.474 276 Y N 0.668 120.855 120.300 -0.188 0.000 2.492 276 Y HA 0.775 5.325 4.550 -0.001 0.000 0.346 276 Y C 0.078 175.855 175.900 -0.205 0.000 0.997 276 Y CA -0.872 57.138 58.100 -0.150 0.000 1.025 276 Y CB 2.029 40.413 38.460 -0.126 0.000 1.263 276 Y HN 0.709 nan 8.280 nan 0.000 0.454 277 R N 4.523 124.735 120.500 -0.479 0.000 2.460 277 R HA 0.554 4.894 4.340 -0.001 0.000 0.303 277 R C -0.683 175.392 176.300 -0.376 0.000 0.968 277 R CA -0.556 55.281 56.100 -0.439 0.000 0.889 277 R CB 0.937 31.053 30.300 -0.306 0.000 1.123 277 R HN 0.925 nan 8.270 nan 0.000 0.455 278 R N 2.995 123.269 120.500 -0.377 0.000 2.642 278 R HA 0.205 4.545 4.340 -0.001 0.000 0.435 278 R C -0.503 175.647 176.300 -0.250 0.000 1.046 278 R CA -0.286 55.695 56.100 -0.199 0.000 1.103 278 R CB 0.526 30.759 30.300 -0.111 0.000 1.425 278 R HN 0.775 nan 8.270 nan 0.000 0.586 279 C N -1.595 117.500 119.300 -0.342 0.000 3.308 279 C HA 0.632 5.092 4.460 -0.001 0.000 0.360 279 C C -0.116 174.795 174.990 -0.131 0.000 1.695 279 C CA -1.518 57.348 59.018 -0.253 0.000 1.366 279 C CB 1.295 28.814 27.740 -0.368 0.000 2.121 279 C HN 0.342 nan 8.230 nan 0.000 0.442 280 R N 1.206 121.683 120.500 -0.039 0.000 2.538 280 R HA 0.454 4.794 4.340 -0.001 0.000 0.282 280 R C 0.050 176.399 176.300 0.081 0.000 1.009 280 R CA 1.009 57.140 56.100 0.052 0.000 1.063 280 R CB -0.160 30.212 30.300 0.121 0.000 0.945 280 R HN 1.188 nan 8.270 nan 0.000 0.414 281 A N 3.534 126.418 122.820 0.106 0.000 2.328 281 A HA 0.255 4.574 4.320 -0.001 0.000 0.284 281 A C 0.939 178.617 177.584 0.158 0.000 1.160 281 A CA 0.016 52.137 52.037 0.140 0.000 0.818 281 A CB 0.593 19.685 19.000 0.154 0.000 1.087 281 A HN 1.009 nan 8.150 nan 0.000 0.504 282 S N 1.949 117.756 115.700 0.179 0.000 2.489 282 S HA 0.077 4.546 4.470 -0.001 0.000 0.228 282 S C 1.075 175.770 174.600 0.158 0.000 0.995 282 S CA 0.741 59.042 58.200 0.168 0.000 0.934 282 S CB 0.057 63.363 63.200 0.177 0.000 0.771 282 S HN 1.238 nan 8.310 nan 0.000 0.522 283 G N 1.915 110.832 108.800 0.195 0.000 4.291 283 G HA2 0.519 4.478 3.960 -0.001 0.000 0.304 283 G HA3 0.519 4.478 3.960 -0.001 0.000 0.304 283 G C -0.130 174.894 174.900 0.206 0.000 1.264 283 G CA -0.111 45.110 45.100 0.202 0.000 1.039 283 G HN 0.573 nan 8.290 nan 0.000 0.578 284 V N -2.458 117.560 119.914 0.173 0.000 3.046 284 V HA 0.578 4.697 4.120 -0.001 0.000 0.316 284 V C 1.374 177.542 176.094 0.124 0.000 1.104 284 V CA -0.969 61.449 62.300 0.197 0.000 1.006 284 V CB 1.771 33.769 31.823 0.293 0.000 1.058 284 V HN 0.067 nan 8.190 nan 0.000 0.440 285 L N 2.602 123.912 121.223 0.145 0.000 2.079 285 L HA -0.062 4.278 4.340 -0.001 0.000 0.210 285 L C 2.332 179.216 176.870 0.022 0.000 1.081 285 L CA 3.074 57.982 54.840 0.113 0.000 0.752 285 L CB -0.715 41.437 42.059 0.155 0.000 0.896 285 L HN 1.098 nan 8.230 nan 0.000 0.433 286 T N -5.900 108.590 114.554 -0.108 0.000 3.148 286 T HA -0.011 4.339 4.350 -0.001 0.000 0.253 286 T C 1.582 176.217 174.700 -0.109 0.000 1.134 286 T CA 0.750 62.732 62.100 -0.197 0.000 1.051 286 T CB -0.738 67.841 68.868 -0.482 0.000 0.959 286 T HN 0.283 nan 8.240 nan 0.000 0.525 287 T N 1.985 116.510 114.554 -0.048 0.000 2.652 287 T HA -0.165 4.184 4.350 -0.001 0.000 0.267 287 T C 2.203 176.920 174.700 0.029 0.000 1.039 287 T CA 1.809 63.919 62.100 0.015 0.000 1.153 287 T CB -0.659 68.243 68.868 0.056 0.000 0.863 287 T HN 0.553 nan 8.240 nan 0.000 0.428 288 S N -0.258 115.436 115.700 -0.010 0.000 2.345 288 S HA -0.152 4.318 4.470 -0.001 0.000 0.220 288 S C 2.456 177.080 174.600 0.040 0.000 1.031 288 S CA 1.439 59.628 58.200 -0.019 0.000 0.996 288 S CB -0.973 62.109 63.200 -0.197 0.000 0.882 288 S HN 0.670 nan 8.310 nan 0.000 0.445 289 C N 1.326 120.623 119.300 -0.005 0.000 2.429 289 C HA 0.072 4.532 4.460 -0.001 0.000 0.277 289 C C 2.823 177.861 174.990 0.080 0.000 1.262 289 C CA 1.159 60.192 59.018 0.025 0.000 1.733 289 C CB -1.825 25.901 27.740 -0.022 0.000 2.010 289 C HN 0.727 nan 8.230 nan 0.000 0.483 290 G N 0.303 109.157 108.800 0.090 0.000 2.418 290 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.217 290 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.217 290 G C 1.523 176.509 174.900 0.143 0.000 1.158 290 G CA 1.034 46.197 45.100 0.104 0.000 0.771 290 G HN 0.584 nan 8.290 nan 0.000 0.545 291 N N 0.333 119.124 118.700 0.151 0.000 2.188 291 N HA -0.061 4.679 4.740 -0.001 0.000 0.184 291 N C 2.404 177.960 175.510 0.078 0.000 1.018 291 N CA 1.498 54.652 53.050 0.173 0.000 0.858 291 N CB -0.604 37.889 38.487 0.010 0.000 0.989 291 N HN 0.240 nan 8.380 nan 0.000 0.426 292 T N 1.625 116.234 114.554 0.092 0.000 2.701 292 T HA 0.005 4.354 4.350 -0.001 0.000 0.263 292 T C 2.128 176.907 174.700 0.131 0.000 1.040 292 T CA 0.665 62.835 62.100 0.116 0.000 1.147 292 T CB -0.322 68.677 68.868 0.219 0.000 0.865 292 T HN 0.118 nan 8.240 nan 0.000 0.426 293 L N 0.658 121.934 121.223 0.087 0.000 2.042 293 L HA -0.139 4.201 4.340 -0.001 0.000 0.210 293 L C 2.938 179.893 176.870 0.142 0.000 1.076 293 L CA 1.298 56.172 54.840 0.057 0.000 0.749 293 L CB -1.007 41.042 42.059 -0.016 0.000 0.893 293 L HN 0.299 nan 8.230 nan 0.000 0.432 294 T N -1.452 113.208 114.554 0.177 0.000 2.777 294 T HA -0.218 4.131 4.350 -0.001 0.000 0.266 294 T C 1.998 176.893 174.700 0.324 0.000 1.040 294 T CA 1.400 63.639 62.100 0.232 0.000 1.141 294 T CB -0.394 68.640 68.868 0.278 0.000 0.868 294 T HN 0.471 nan 8.240 nan 0.000 0.444 295 C N 0.654 120.192 119.300 0.398 0.000 2.446 295 C HA -0.070 4.389 4.460 -0.001 0.000 0.277 295 C C 2.389 177.539 174.990 0.266 0.000 1.275 295 C CA 0.458 59.705 59.018 0.381 0.000 1.727 295 C CB -1.390 26.448 27.740 0.163 0.000 2.010 295 C HN 0.654 nan 8.230 nan 0.000 0.486 296 Y N 1.102 121.465 120.300 0.104 0.000 2.181 296 Y HA -0.085 4.464 4.550 -0.001 0.000 0.288 296 Y C 2.138 178.061 175.900 0.038 0.000 1.146 296 Y CA 2.044 60.184 58.100 0.066 0.000 1.164 296 Y CB -0.577 37.905 38.460 0.036 0.000 0.982 296 Y HN 0.346 nan 8.280 nan 0.000 0.515 297 L N 1.021 122.363 121.223 0.198 0.000 1.994 297 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 297 L C 2.103 178.922 176.870 -0.086 0.000 1.071 297 L CA 2.008 56.853 54.840 0.007 0.000 0.745 297 L CB -0.916 41.107 42.059 -0.060 0.000 0.892 297 L HN 0.128 nan 8.230 nan 0.000 0.431 298 K N -0.392 120.013 120.400 0.008 0.000 2.057 298 K HA -0.067 4.252 4.320 -0.001 0.000 0.207 298 K C 2.088 178.719 176.600 0.052 0.000 1.049 298 K CA 1.347 57.642 56.287 0.013 0.000 0.931 298 K CB -0.422 32.166 32.500 0.147 0.000 0.714 298 K HN 0.499 nan 8.250 nan 0.000 0.440 299 A N 1.045 123.889 122.820 0.040 0.000 1.898 299 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 299 A C 2.204 179.826 177.584 0.062 0.000 1.181 299 A CA 1.691 53.776 52.037 0.079 0.000 0.620 299 A CB -0.467 18.646 19.000 0.187 0.000 0.819 299 A HN 0.162 nan 8.150 nan 0.000 0.442 300 S N 0.020 115.637 115.700 -0.139 0.000 2.368 300 S HA -0.051 4.419 4.470 -0.001 0.000 0.225 300 S C 2.291 176.849 174.600 -0.069 0.000 1.030 300 S CA 1.216 59.297 58.200 -0.199 0.000 0.999 300 S CB -0.440 62.494 63.200 -0.443 0.000 0.844 300 S HN 0.787 nan 8.310 nan 0.000 0.459 301 A N 1.479 124.279 122.820 -0.033 0.000 1.930 301 A HA 0.197 4.516 4.320 -0.001 0.000 0.217 301 A C 2.341 179.981 177.584 0.093 0.000 1.175 301 A CA 1.549 53.621 52.037 0.059 0.000 0.627 301 A CB -0.999 18.057 19.000 0.094 0.000 0.815 301 A HN 0.503 nan 8.150 nan 0.000 0.443 302 A N -0.953 121.933 122.820 0.109 0.000 1.933 302 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 302 A C 2.265 179.877 177.584 0.046 0.000 1.175 302 A CA 1.625 53.595 52.037 -0.111 0.000 0.628 302 A CB -1.265 17.296 19.000 -0.733 0.000 0.814 302 A HN 0.587 nan 8.150 nan 0.000 0.444 303 C N -0.805 118.628 119.300 0.223 0.000 2.413 303 C HA -0.099 4.361 4.460 -0.001 0.000 0.277 303 C C 2.892 177.900 174.990 0.030 0.000 1.265 303 C CA 1.147 60.313 59.018 0.246 0.000 1.752 303 C CB -1.304 26.531 27.740 0.158 0.000 1.998 303 C HN 0.601 nan 8.230 nan 0.000 0.489 304 R N 1.037 121.465 120.500 -0.120 0.000 2.075 304 R HA -0.049 4.290 4.340 -0.001 0.000 0.232 304 R C 2.410 178.447 176.300 -0.439 0.000 1.126 304 R CA 1.502 57.402 56.100 -0.334 0.000 0.963 304 R CB -0.543 29.416 30.300 -0.568 0.000 0.858 304 R HN 0.519 nan 8.270 nan 0.000 0.435 305 A N 1.293 123.877 122.820 -0.393 0.000 1.972 305 A HA -0.054 4.265 4.320 -0.001 0.000 0.219 305 A C 2.214 179.773 177.584 -0.042 0.000 1.169 305 A CA 1.642 53.592 52.037 -0.145 0.000 0.635 305 A CB -0.358 18.624 19.000 -0.030 0.000 0.810 305 A HN 0.385 nan 8.150 nan 0.000 0.446 306 A N -1.483 121.330 122.820 -0.012 0.000 2.178 306 A HA 0.275 4.595 4.320 -0.001 0.000 0.211 306 A C 1.045 178.640 177.584 0.019 0.000 1.157 306 A CA 0.807 52.865 52.037 0.035 0.000 0.780 306 A CB -0.304 18.773 19.000 0.128 0.000 0.828 306 A HN 0.472 nan 8.150 nan 0.000 0.476 307 K N -1.498 118.899 120.400 -0.004 0.000 3.129 307 K HA -0.155 4.164 4.320 -0.001 0.000 0.273 307 K C -0.972 175.631 176.600 0.005 0.000 1.123 307 K CA 0.208 56.494 56.287 -0.003 0.000 0.800 307 K CB -1.937 30.567 32.500 0.007 0.000 1.238 307 K HN 0.340 nan 8.250 nan 0.000 0.492 308 L N 1.709 122.942 121.223 0.017 0.000 2.485 308 L HA 0.003 4.342 4.340 -0.001 0.000 0.275 308 L C 1.078 177.950 176.870 0.002 0.000 1.207 308 L CA 0.952 55.801 54.840 0.015 0.000 0.855 308 L CB 0.461 42.543 42.059 0.039 0.000 1.114 308 L HN 0.084 nan 8.230 nan 0.000 0.485 309 Q N 2.284 122.080 119.800 -0.007 0.000 2.279 309 Q HA 0.073 4.412 4.340 -0.001 0.000 0.256 309 Q C -0.256 175.728 176.000 -0.026 0.000 0.937 309 Q CA -0.380 55.413 55.803 -0.016 0.000 0.933 309 Q CB 0.768 29.494 28.738 -0.021 0.000 1.189 309 Q HN 0.528 nan 8.270 nan 0.000 0.417 310 D N 1.272 121.659 120.400 -0.022 0.000 2.890 310 D HA -0.192 4.447 4.640 -0.001 0.000 0.226 310 D C -1.125 175.155 176.300 -0.034 0.000 1.207 310 D CA 0.303 54.287 54.000 -0.027 0.000 0.764 310 D CB -0.778 39.997 40.800 -0.041 0.000 0.948 310 D HN 0.467 nan 8.370 nan 0.000 0.404 311 C N 1.579 120.867 119.300 -0.019 0.000 2.593 311 C HA 0.573 5.032 4.460 -0.001 0.000 0.409 311 C C 0.816 175.799 174.990 -0.013 0.000 1.304 311 C CA -0.140 58.865 59.018 -0.022 0.000 2.007 311 C CB 0.795 28.529 27.740 -0.010 0.000 2.614 311 C HN 0.522 nan 8.230 nan 0.000 0.585 312 T N 5.674 120.213 114.554 -0.026 0.000 2.881 312 T HA 0.482 4.831 4.350 -0.001 0.000 0.291 312 T C -0.415 174.295 174.700 0.018 0.000 0.990 312 T CA -0.249 61.864 62.100 0.021 0.000 0.976 312 T CB 0.853 69.707 68.868 -0.024 0.000 0.970 312 T HN 0.541 nan 8.240 nan 0.000 0.438 313 M N 2.989 122.639 119.600 0.083 0.000 2.644 313 M HA 0.670 5.150 4.480 -0.001 0.000 0.316 313 M C -1.233 175.173 176.300 0.178 0.000 1.200 313 M CA -1.199 54.135 55.300 0.058 0.000 0.944 313 M CB 1.944 34.554 32.600 0.017 0.000 1.691 313 M HN 0.312 nan 8.290 nan 0.000 0.471 314 L N 2.345 123.636 121.223 0.113 0.000 2.404 314 L HA 0.630 4.969 4.340 -0.001 0.000 0.272 314 L C -1.503 175.378 176.870 0.017 0.000 0.980 314 L CA -0.466 54.449 54.840 0.124 0.000 0.836 314 L CB 1.734 43.883 42.059 0.151 0.000 1.238 314 L HN 0.486 nan 8.230 nan 0.000 0.408 315 V N 4.228 124.138 119.914 -0.006 0.000 2.540 315 V HA 0.586 4.705 4.120 -0.001 0.000 0.302 315 V C -0.623 175.305 176.094 -0.277 0.000 1.035 315 V CA -0.622 61.645 62.300 -0.055 0.000 0.873 315 V CB 1.907 33.792 31.823 0.103 0.000 0.992 315 V HN 0.782 nan 8.190 nan 0.000 0.428 316 N N 3.542 122.026 118.700 -0.359 0.000 2.664 316 N HA 0.602 5.341 4.740 -0.001 0.000 0.257 316 N C 0.567 175.935 175.510 -0.237 0.000 1.108 316 N CA 0.565 53.176 53.050 -0.732 0.000 0.822 316 N CB 1.672 39.630 38.487 -0.881 0.000 1.199 316 N HN 1.084 nan 8.380 nan 0.000 0.529 317 G N 2.271 111.075 108.800 0.007 0.000 2.596 317 G HA2 -0.402 3.558 3.960 -0.001 0.000 0.304 317 G HA3 -0.402 3.558 3.960 -0.001 0.000 0.304 317 G C 0.571 175.312 174.900 -0.265 0.000 1.189 317 G CA 0.737 45.838 45.100 0.002 0.000 0.986 317 G HN 0.602 nan 8.290 nan 0.000 0.548 318 D N 1.247 121.402 120.400 -0.407 0.000 2.349 318 D HA 0.071 4.710 4.640 -0.001 0.000 0.224 318 D C 0.440 176.610 176.300 -0.215 0.000 1.029 318 D CA 0.842 54.431 54.000 -0.685 0.000 0.879 318 D CB -0.133 40.252 40.800 -0.691 0.000 0.906 318 D HN 0.411 nan 8.370 nan 0.000 0.528 319 D N 0.800 121.126 120.400 -0.123 0.000 2.316 319 D HA 0.259 4.898 4.640 -0.001 0.000 0.245 319 D C -0.933 175.345 176.300 -0.038 0.000 1.171 319 D CA -0.491 53.480 54.000 -0.048 0.000 0.856 319 D CB 0.984 41.751 40.800 -0.054 0.000 1.090 319 D HN 0.063 nan 8.370 nan 0.000 0.476 320 L N 4.918 126.160 121.223 0.032 0.000 2.386 320 L HA 0.567 4.907 4.340 -0.001 0.000 0.271 320 L C -1.693 175.156 176.870 -0.034 0.000 0.993 320 L CA -0.673 54.187 54.840 0.033 0.000 0.819 320 L CB 1.982 44.128 42.059 0.145 0.000 1.294 320 L HN 0.149 nan 8.230 nan 0.000 0.414 321 V N 5.741 125.587 119.914 -0.113 0.000 2.760 321 V HA 0.751 4.871 4.120 -0.001 0.000 0.309 321 V C -1.416 174.484 176.094 -0.323 0.000 1.077 321 V CA -0.358 61.805 62.300 -0.227 0.000 0.910 321 V CB 2.430 34.173 31.823 -0.133 0.000 1.008 321 V HN 0.595 nan 8.190 nan 0.000 0.424 322 V N 7.536 127.065 119.914 -0.642 0.000 2.604 322 V HA 0.608 4.727 4.120 -0.001 0.000 0.305 322 V C -0.392 175.477 176.094 -0.375 0.000 1.043 322 V CA -0.498 61.451 62.300 -0.585 0.000 0.888 322 V CB 1.901 33.153 31.823 -0.952 0.000 0.995 322 V HN 0.736 nan 8.190 nan 0.000 0.429 323 I N 4.729 125.195 120.570 -0.173 0.000 2.436 323 I HA 0.676 4.845 4.170 -0.001 0.000 0.289 323 I C -0.175 175.878 176.117 -0.106 0.000 1.010 323 I CA -0.335 60.913 61.300 -0.088 0.000 1.098 323 I CB 1.709 39.686 38.000 -0.039 0.000 1.266 323 I HN 0.886 nan 8.210 nan 0.000 0.434 324 C N 2.197 121.432 119.300 -0.109 0.000 3.318 324 C HA 0.649 5.108 4.460 -0.001 0.000 0.329 324 C C -0.287 174.619 174.990 -0.140 0.000 1.449 324 C CA -0.913 58.047 59.018 -0.097 0.000 1.397 324 C CB 1.427 29.150 27.740 -0.028 0.000 1.810 324 C HN 0.733 nan 8.230 nan 0.000 0.449 325 E N 1.447 121.585 120.200 -0.103 0.000 2.217 325 E HA 0.412 4.761 4.350 -0.001 0.000 0.279 325 E C 0.206 176.769 176.600 -0.063 0.000 1.068 325 E CA 0.547 56.885 56.400 -0.103 0.000 0.882 325 E CB 0.839 30.494 29.700 -0.075 0.000 1.039 325 E HN 0.780 nan 8.360 nan 0.000 0.418 326 S N 3.082 118.749 115.700 -0.055 0.000 2.562 326 S HA 0.394 4.864 4.470 -0.001 0.000 0.281 326 S C 0.069 174.672 174.600 0.005 0.000 1.333 326 S CA 0.174 58.386 58.200 0.020 0.000 1.052 326 S CB 0.509 63.773 63.200 0.107 0.000 0.884 326 S HN 0.571 nan 8.310 nan 0.000 0.506 327 A N 3.541 126.372 122.820 0.018 0.000 2.749 327 A HA 0.665 4.984 4.320 -0.001 0.000 0.299 327 A C 0.663 178.249 177.584 0.005 0.000 1.105 327 A CA 0.067 52.105 52.037 0.002 0.000 0.987 327 A CB -0.751 18.248 19.000 -0.002 0.000 1.180 327 A HN 1.863 nan 8.150 nan 0.000 0.528 328 G N -1.524 107.280 108.800 0.007 0.000 2.712 328 G HA2 0.080 4.039 3.960 -0.001 0.000 0.686 328 G HA3 0.080 4.039 3.960 -0.001 0.000 0.686 328 G C 0.599 175.509 174.900 0.017 0.000 1.181 328 G CA -0.116 44.977 45.100 -0.012 0.000 0.762 328 G HN 1.215 nan 8.290 nan 0.000 0.641 329 V N 1.263 121.159 119.914 -0.029 0.000 2.594 329 V HA -0.124 3.996 4.120 -0.001 0.000 0.253 329 V C 2.479 178.602 176.094 0.048 0.000 1.069 329 V CA 3.018 65.333 62.300 0.026 0.000 1.082 329 V CB -0.106 31.667 31.823 -0.084 0.000 0.680 329 V HN 0.740 nan 8.190 nan 0.000 0.469 330 Q N 0.040 119.848 119.800 0.013 0.000 2.062 330 Q HA -0.130 4.209 4.340 -0.001 0.000 0.196 330 Q C 2.188 178.194 176.000 0.010 0.000 0.967 330 Q CA 2.048 57.857 55.803 0.010 0.000 0.832 330 Q CB -0.289 28.447 28.738 -0.002 0.000 0.899 330 Q HN 0.772 nan 8.270 nan 0.000 0.442 331 E N 0.603 120.809 120.200 0.009 0.000 2.152 331 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 331 E C 1.449 178.049 176.600 0.001 0.000 0.983 331 E CA 0.711 57.113 56.400 0.003 0.000 0.818 331 E CB 0.093 29.794 29.700 0.002 0.000 0.758 331 E HN 0.293 nan 8.360 nan 0.000 0.467 332 D N 0.967 121.381 120.400 0.023 0.000 2.097 332 D HA -0.149 4.490 4.640 -0.001 0.000 0.195 332 D C 1.939 178.214 176.300 -0.041 0.000 0.989 332 D CA 1.392 55.397 54.000 0.009 0.000 0.827 332 D CB -0.234 40.629 40.800 0.105 0.000 0.966 332 D HN 0.164 nan 8.370 nan 0.000 0.456 333 A N 0.892 123.708 122.820 -0.007 0.000 1.930 333 A HA 0.003 4.322 4.320 -0.001 0.000 0.217 333 A C 2.287 179.848 177.584 -0.039 0.000 1.175 333 A CA 2.049 54.069 52.037 -0.028 0.000 0.627 333 A CB -0.550 18.453 19.000 0.004 0.000 0.815 333 A HN 0.238 nan 8.150 nan 0.000 0.443 334 A N -0.601 122.205 122.820 -0.024 0.000 1.898 334 A HA -0.020 4.299 4.320 -0.001 0.000 0.216 334 A C 2.433 180.000 177.584 -0.028 0.000 1.181 334 A CA 1.891 53.916 52.037 -0.020 0.000 0.620 334 A CB -0.854 18.140 19.000 -0.011 0.000 0.819 334 A HN 0.431 nan 8.150 nan 0.000 0.442 335 S N 0.211 115.887 115.700 -0.040 0.000 2.359 335 S HA -0.125 4.344 4.470 -0.001 0.000 0.224 335 S C 1.799 176.360 174.600 -0.065 0.000 1.035 335 S CA 1.538 59.712 58.200 -0.043 0.000 1.018 335 S CB -0.494 62.673 63.200 -0.056 0.000 0.876 335 S HN 0.511 nan 8.310 nan 0.000 0.448 336 L N 0.761 121.887 121.223 -0.163 0.000 2.131 336 L HA -0.084 4.256 4.340 -0.001 0.000 0.210 336 L C 2.708 179.561 176.870 -0.028 0.000 1.092 336 L CA 1.125 55.821 54.840 -0.239 0.000 0.759 336 L CB -0.547 41.274 42.059 -0.397 0.000 0.903 336 L HN 0.269 nan 8.230 nan 0.000 0.435 337 R N -0.303 120.186 120.500 -0.019 0.000 2.066 337 R HA -0.108 4.231 4.340 -0.001 0.000 0.232 337 R C 2.304 178.617 176.300 0.022 0.000 1.131 337 R CA 1.193 57.300 56.100 0.012 0.000 0.955 337 R CB -0.343 29.955 30.300 -0.003 0.000 0.851 337 R HN 0.177 nan 8.270 nan 0.000 0.432 338 V N 0.817 120.739 119.914 0.014 0.000 2.295 338 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 338 V C 1.971 178.065 176.094 0.001 0.000 1.049 338 V CA 1.812 64.112 62.300 0.000 0.000 1.024 338 V CB -0.608 31.218 31.823 0.005 0.000 0.648 338 V HN 0.235 nan 8.190 nan 0.000 0.447 339 F N 1.549 121.442 119.950 -0.096 0.000 2.095 339 F HA -0.253 4.273 4.527 -0.001 0.000 0.298 339 F C 2.452 178.185 175.800 -0.112 0.000 1.104 339 F CA 2.414 60.352 58.000 -0.102 0.000 1.232 339 F CB -0.585 38.351 39.000 -0.107 0.000 0.987 339 F HN 0.120 nan 8.300 nan 0.000 0.475 340 T N 0.090 114.714 114.554 0.118 0.000 2.788 340 T HA -0.188 4.161 4.350 -0.001 0.000 0.268 340 T C 1.690 176.363 174.700 -0.046 0.000 1.044 340 T CA 1.748 63.920 62.100 0.120 0.000 1.139 340 T CB -0.346 68.673 68.868 0.252 0.000 0.867 340 T HN 0.424 nan 8.240 nan 0.000 0.454 341 E N 1.037 121.190 120.200 -0.078 0.000 2.106 341 E HA -0.018 4.332 4.350 -0.001 0.000 0.192 341 E C 2.559 179.012 176.600 -0.245 0.000 0.984 341 E CA 0.887 57.215 56.400 -0.119 0.000 0.806 341 E CB -0.186 29.461 29.700 -0.089 0.000 0.750 341 E HN 0.487 nan 8.360 nan 0.000 0.458 342 A N 1.419 124.030 122.820 -0.348 0.000 1.855 342 A HA -0.168 4.151 4.320 -0.001 0.000 0.215 342 A C 2.174 179.277 177.584 -0.802 0.000 1.191 342 A CA 1.142 52.818 52.037 -0.602 0.000 0.613 342 A CB -0.305 18.384 19.000 -0.519 0.000 0.829 342 A HN 0.096 nan 8.150 nan 0.000 0.442 343 M N -0.053 119.190 119.600 -0.594 0.000 2.106 343 M HA -0.134 4.346 4.480 -0.001 0.000 0.259 343 M C 2.197 178.394 176.300 -0.171 0.000 1.068 343 M CA 2.131 57.211 55.300 -0.366 0.000 1.100 343 M CB -1.991 30.322 32.600 -0.480 0.000 1.351 343 M HN 0.472 nan 8.290 nan 0.000 0.404 344 T N 0.063 114.523 114.554 -0.156 0.000 2.708 344 T HA -0.135 4.215 4.350 -0.001 0.000 0.266 344 T C 1.941 176.570 174.700 -0.119 0.000 1.037 344 T CA 1.212 63.264 62.100 -0.080 0.000 1.146 344 T CB -0.236 68.594 68.868 -0.063 0.000 0.865 344 T HN 0.385 nan 8.240 nan 0.000 0.435 345 R N 0.032 120.392 120.500 -0.233 0.000 2.159 345 R HA -0.081 4.258 4.340 -0.001 0.000 0.237 345 R C 1.677 177.912 176.300 -0.107 0.000 1.131 345 R CA 1.127 57.099 56.100 -0.212 0.000 0.982 345 R CB -0.295 29.814 30.300 -0.318 0.000 0.868 345 R HN 0.453 nan 8.270 nan 0.000 0.453 346 Y N 0.178 120.415 120.300 -0.105 0.000 2.529 346 Y HA -0.005 4.545 4.550 -0.001 0.000 0.290 346 Y C 1.330 177.174 175.900 -0.092 0.000 1.177 346 Y CA 0.155 58.181 58.100 -0.123 0.000 1.305 346 Y CB -0.217 38.189 38.460 -0.090 0.000 1.047 346 Y HN 0.187 nan 8.280 nan 0.000 0.522 347 S N -1.870 113.865 115.700 0.058 0.000 2.541 347 S HA -0.185 4.284 4.470 -0.001 0.000 0.262 347 S C 0.305 174.923 174.600 0.031 0.000 1.321 347 S CA 0.428 58.647 58.200 0.032 0.000 1.243 347 S CB -1.917 61.297 63.200 0.022 0.000 1.531 347 S HN 0.683 nan 8.310 nan 0.000 0.656 348 A N 1.785 124.639 122.820 0.056 0.000 3.079 348 A HA 0.723 5.042 4.320 -0.001 0.000 0.315 348 A C -2.222 175.472 177.584 0.185 0.000 1.334 348 A CA -1.497 50.603 52.037 0.104 0.000 1.048 348 A CB 0.081 19.178 19.000 0.163 0.000 1.156 348 A HN 0.467 nan 8.150 nan 0.000 0.523 349 P HA 0.225 nan 4.420 nan 0.000 0.272 349 P C -2.634 174.727 177.300 0.102 0.000 1.230 349 P CA -0.993 62.155 63.100 0.081 0.000 0.788 349 P CB 0.449 32.125 31.700 -0.041 0.000 0.949 350 P HA 0.137 nan 4.420 nan 0.000 0.284 350 P C 0.272 177.511 177.300 -0.102 0.000 1.258 350 P CA -0.135 62.877 63.100 -0.147 0.000 0.824 350 P CB 1.447 33.017 31.700 -0.217 0.000 1.038 351 G N 1.783 110.513 108.800 -0.118 0.000 2.655 351 G HA2 0.018 3.977 3.960 -0.001 0.000 0.217 351 G HA3 0.018 3.977 3.960 -0.001 0.000 0.217 351 G C -0.117 174.744 174.900 -0.065 0.000 1.279 351 G CA 0.143 45.206 45.100 -0.062 0.000 0.870 351 G HN 0.476 nan 8.290 nan 0.000 0.560 352 D N 1.961 122.316 120.400 -0.075 0.000 2.264 352 D HA 0.368 5.008 4.640 -0.001 0.000 0.250 352 D C -2.418 173.840 176.300 -0.070 0.000 1.113 352 D CA -1.110 52.858 54.000 -0.053 0.000 0.871 352 D CB 1.487 42.265 40.800 -0.036 0.000 1.167 352 D HN 0.002 nan 8.370 nan 0.000 0.447 353 P HA 0.111 nan 4.420 nan 0.000 0.268 353 P C -2.259 175.043 177.300 0.003 0.000 1.205 353 P CA -0.802 62.288 63.100 -0.016 0.000 0.771 353 P CB -0.078 31.622 31.700 0.000 0.000 0.858 354 P HA 0.119 nan 4.420 nan 0.000 0.275 354 P C -1.174 176.140 177.300 0.024 0.000 1.228 354 P CA -0.184 62.972 63.100 0.095 0.000 0.786 354 P CB 0.846 32.696 31.700 0.249 0.000 0.927 355 Q N 2.062 121.884 119.800 0.035 0.000 2.372 355 Q HA 0.658 4.997 4.340 -0.001 0.000 0.273 355 Q C -2.967 173.024 176.000 -0.015 0.000 1.078 355 Q CA -2.523 53.278 55.803 -0.004 0.000 0.806 355 Q CB 1.565 30.312 28.738 0.016 0.000 1.332 355 Q HN 0.189 nan 8.270 nan 0.000 0.435 356 P HA 0.128 nan 4.420 nan 0.000 0.271 356 P C -0.956 176.189 177.300 -0.258 0.000 1.216 356 P CA 0.019 63.006 63.100 -0.188 0.000 0.776 356 P CB 0.664 32.239 31.700 -0.209 0.000 0.881 357 E N 1.713 121.714 120.200 -0.331 0.000 2.248 357 E HA 0.237 4.586 4.350 -0.001 0.000 0.267 357 E C -0.651 175.767 176.600 -0.303 0.000 0.877 357 E CA -0.374 55.899 56.400 -0.212 0.000 0.759 357 E CB 1.401 31.082 29.700 -0.032 0.000 1.182 357 E HN 0.421 nan 8.360 nan 0.000 0.418 358 Y N -0.084 120.362 120.300 0.242 0.000 2.612 358 Y HA 0.204 4.753 4.550 -0.001 0.000 0.250 358 Y C 0.227 176.360 175.900 0.388 0.000 1.175 358 Y CA -0.394 57.907 58.100 0.335 0.000 1.205 358 Y CB 1.075 39.636 38.460 0.168 0.000 1.201 358 Y HN 0.214 nan 8.280 nan 0.000 0.532 359 D N 0.635 121.182 120.400 0.244 0.000 2.473 359 D HA 0.105 4.744 4.640 -0.001 0.000 0.253 359 D C 0.751 176.814 176.300 -0.395 0.000 1.233 359 D CA -0.247 53.750 54.000 -0.005 0.000 0.908 359 D CB 1.668 42.478 40.800 0.017 0.000 1.170 359 D HN 0.158 nan 8.370 nan 0.000 0.558 360 L N 4.421 125.035 121.223 -1.015 0.000 2.089 360 L HA -0.153 4.186 4.340 -0.001 0.000 0.213 360 L C 1.652 178.175 176.870 -0.578 0.000 1.079 360 L CA 2.014 56.104 54.840 -1.251 0.000 0.758 360 L CB -0.233 40.851 42.059 -1.625 0.000 0.891 360 L HN 0.488 nan 8.230 nan 0.000 0.433 361 E N -0.846 119.121 120.200 -0.389 0.000 2.338 361 E HA -0.156 4.193 4.350 -0.001 0.000 0.197 361 E C 1.933 178.436 176.600 -0.161 0.000 1.007 361 E CA 0.813 57.077 56.400 -0.226 0.000 0.849 361 E CB -0.152 29.464 29.700 -0.140 0.000 0.774 361 E HN 0.560 nan 8.360 nan 0.000 0.506 362 L N 0.694 121.823 121.223 -0.157 0.000 2.592 362 L HA 0.189 4.529 4.340 -0.001 0.000 0.227 362 L C 0.679 177.496 176.870 -0.088 0.000 1.127 362 L CA -0.130 54.655 54.840 -0.091 0.000 0.884 362 L CB 0.252 42.282 42.059 -0.049 0.000 1.065 362 L HN 0.023 nan 8.230 nan 0.000 0.457 363 I N 0.162 120.651 120.570 -0.134 0.000 2.342 363 I HA 0.114 4.283 4.170 -0.001 0.000 0.291 363 I C -0.008 176.059 176.117 -0.084 0.000 1.010 363 I CA 0.141 61.380 61.300 -0.101 0.000 1.308 363 I CB 1.372 39.295 38.000 -0.128 0.000 1.400 363 I HN -0.086 nan 8.210 nan 0.000 0.488 364 T N 4.977 119.502 114.554 -0.047 0.000 2.771 364 T HA 0.463 4.812 4.350 -0.001 0.000 0.281 364 T C -0.286 174.403 174.700 -0.019 0.000 0.982 364 T CA -0.633 61.450 62.100 -0.029 0.000 0.978 364 T CB 1.034 69.893 68.868 -0.015 0.000 0.930 364 T HN 0.724 nan 8.240 nan 0.000 0.447 365 S N 0.789 116.481 115.700 -0.014 0.000 2.548 365 S HA 0.438 4.908 4.470 -0.001 0.000 0.276 365 S C 0.078 174.686 174.600 0.013 0.000 1.129 365 S CA -0.807 57.386 58.200 -0.012 0.000 0.931 365 S CB 0.614 63.791 63.200 -0.039 0.000 1.068 365 S HN 0.911 nan 8.310 nan 0.000 0.480 366 C N 2.184 121.496 119.300 0.020 0.000 4.350 366 C HA -0.172 4.287 4.460 -0.001 0.000 0.302 366 C C 1.450 176.505 174.990 0.108 0.000 1.390 366 C CA 0.721 59.773 59.018 0.056 0.000 2.016 366 C CB -3.242 24.524 27.740 0.043 0.000 1.271 366 C HN 1.666 nan 8.230 nan 0.000 0.760 367 S N -1.794 113.957 115.700 0.084 0.000 3.143 367 S HA -0.215 4.255 4.470 -0.001 0.000 0.291 367 S C 0.378 175.035 174.600 0.095 0.000 1.294 367 S CA 1.434 59.687 58.200 0.088 0.000 1.115 367 S CB -0.784 62.487 63.200 0.119 0.000 1.318 367 S HN 1.036 nan 8.310 nan 0.000 0.685 368 S N 1.779 117.541 115.700 0.104 0.000 2.677 368 S HA 0.768 5.238 4.470 -0.001 0.000 0.304 368 S C -0.361 174.259 174.600 0.033 0.000 1.108 368 S CA -0.899 57.371 58.200 0.117 0.000 0.944 368 S CB 1.708 65.053 63.200 0.242 0.000 1.127 368 S HN 0.593 nan 8.310 nan 0.000 0.511 369 N N -0.738 117.965 118.700 0.005 0.000 2.329 369 N HA 0.396 5.136 4.740 -0.001 0.000 0.282 369 N C -1.489 173.950 175.510 -0.119 0.000 1.198 369 N CA -0.569 52.441 53.050 -0.068 0.000 0.790 369 N CB 1.136 39.575 38.487 -0.079 0.000 1.579 369 N HN 0.325 nan 8.380 nan 0.000 0.475 370 V N 0.624 120.437 119.914 -0.168 0.000 2.686 370 V HA 0.381 4.500 4.120 -0.001 0.000 0.295 370 V C 0.554 176.509 176.094 -0.232 0.000 1.055 370 V CA 0.148 62.322 62.300 -0.211 0.000 1.050 370 V CB 1.002 32.685 31.823 -0.234 0.000 0.984 370 V HN 0.872 nan 8.190 nan 0.000 0.482 371 S N 2.507 117.997 115.700 -0.350 0.000 2.720 371 S HA 0.798 5.267 4.470 -0.001 0.000 0.287 371 S C -1.363 173.131 174.600 -0.177 0.000 1.168 371 S CA -0.420 57.600 58.200 -0.300 0.000 0.832 371 S CB 2.037 64.989 63.200 -0.413 0.000 1.166 371 S HN 0.713 nan 8.310 nan 0.000 0.493 372 V N 0.916 120.828 119.914 -0.004 0.000 2.925 372 V HA 0.990 5.110 4.120 -0.001 0.000 0.311 372 V C -0.375 175.660 176.094 -0.098 0.000 1.104 372 V CA 0.330 62.587 62.300 -0.073 0.000 0.954 372 V CB 1.284 32.919 31.823 -0.314 0.000 1.022 372 V HN 1.352 nan 8.190 nan 0.000 0.427 373 A N 4.564 127.150 122.820 -0.391 0.000 2.583 373 A HA 0.915 5.234 4.320 -0.001 0.000 0.299 373 A C -1.351 175.628 177.584 -1.008 0.000 1.258 373 A CA -0.587 51.009 52.037 -0.736 0.000 0.682 373 A CB 1.742 20.116 19.000 -1.044 0.000 1.332 373 A HN 0.951 nan 8.150 nan 0.000 0.485 374 H N 0.350 119.056 119.070 -0.607 0.000 2.717 374 H HA 0.416 4.972 4.556 -0.001 0.000 0.366 374 H C -1.208 173.741 175.328 -0.631 0.000 1.132 374 H CA -0.389 55.315 56.048 -0.573 0.000 1.180 374 H CB 1.798 31.212 29.762 -0.580 0.000 1.678 374 H HN 0.893 nan 8.280 nan 0.000 0.537 375 D N 0.595 120.861 120.400 -0.223 0.000 2.478 375 D HA 0.237 4.876 4.640 -0.001 0.000 0.269 375 D C 1.363 177.696 176.300 0.054 0.000 1.232 375 D CA -0.373 53.562 54.000 -0.108 0.000 1.059 375 D CB 0.393 41.157 40.800 -0.060 0.000 1.104 375 D HN 0.450 nan 8.370 nan 0.000 0.566 376 A N 0.031 122.915 122.820 0.106 0.000 1.903 376 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 376 A C 2.147 179.806 177.584 0.125 0.000 1.191 376 A CA 2.357 54.480 52.037 0.145 0.000 0.638 376 A CB -1.266 17.784 19.000 0.083 0.000 0.823 376 A HN 0.509 nan 8.150 nan 0.000 0.451 377 S N -1.755 113.990 115.700 0.074 0.000 2.507 377 S HA 0.249 4.718 4.470 -0.001 0.000 0.235 377 S C 1.524 176.160 174.600 0.060 0.000 0.988 377 S CA 1.260 59.492 58.200 0.053 0.000 0.944 377 S CB -0.250 62.969 63.200 0.031 0.000 0.762 377 S HN 1.775 nan 8.310 nan 0.000 0.526 378 G N 1.481 110.337 108.800 0.094 0.000 2.175 378 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.244 378 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.244 378 G C 0.061 174.995 174.900 0.057 0.000 0.982 378 G CA 0.257 45.399 45.100 0.070 0.000 0.641 378 G HN 0.548 nan 8.290 nan 0.000 0.527 379 K N 0.927 121.355 120.400 0.047 0.000 2.326 379 K HA 0.449 4.768 4.320 -0.001 0.000 0.275 379 K C 0.797 177.411 176.600 0.024 0.000 1.018 379 K CA -0.693 55.615 56.287 0.036 0.000 0.962 379 K CB 0.319 32.818 32.500 -0.002 0.000 0.953 379 K HN 0.289 nan 8.250 nan 0.000 0.475 380 R N 1.952 122.445 120.500 -0.013 0.000 2.489 380 R HA 0.115 4.455 4.340 -0.001 0.000 0.287 380 R C -0.756 175.326 176.300 -0.363 0.000 1.053 380 R CA -0.267 55.674 56.100 -0.265 0.000 1.036 380 R CB 0.715 30.851 30.300 -0.272 0.000 0.966 380 R HN 0.283 nan 8.270 nan 0.000 0.432 381 V N 4.840 124.472 119.914 -0.470 0.000 2.531 381 V HA 0.241 4.360 4.120 -0.001 0.000 0.301 381 V C -0.918 175.001 176.094 -0.292 0.000 1.034 381 V CA -0.900 61.207 62.300 -0.321 0.000 0.865 381 V CB 1.282 32.963 31.823 -0.236 0.000 0.995 381 V HN 0.561 nan 8.190 nan 0.000 0.424 382 Y N 5.400 125.690 120.300 -0.017 0.000 2.308 382 Y HA 0.650 5.200 4.550 -0.001 0.000 0.329 382 Y C 0.032 175.986 175.900 0.090 0.000 1.111 382 Y CA -0.346 57.751 58.100 -0.005 0.000 1.179 382 Y CB 1.139 39.559 38.460 -0.067 0.000 1.201 382 Y HN 0.728 nan 8.280 nan 0.000 0.483 383 Y N 0.543 120.889 120.300 0.077 0.000 2.655 383 Y HA 0.702 5.251 4.550 -0.001 0.000 0.336 383 Y C -2.277 173.668 175.900 0.076 0.000 1.154 383 Y CA -2.066 56.060 58.100 0.044 0.000 1.055 383 Y CB 0.658 39.111 38.460 -0.012 0.000 1.295 383 Y HN 0.419 nan 8.280 nan 0.000 0.465 384 L N 1.975 123.224 121.223 0.043 0.000 2.289 384 L HA 0.774 5.113 4.340 -0.001 0.000 0.285 384 L C 0.047 177.056 176.870 0.232 0.000 1.049 384 L CA 0.376 55.241 54.840 0.042 0.000 0.804 384 L CB 1.452 43.585 42.059 0.124 0.000 1.195 384 L HN 1.055 nan 8.230 nan 0.000 0.428 385 T N 4.154 118.798 114.554 0.151 0.000 2.654 385 T HA 0.883 5.232 4.350 -0.001 0.000 0.289 385 T C -1.282 173.494 174.700 0.127 0.000 1.062 385 T CA -0.521 61.731 62.100 0.254 0.000 1.041 385 T CB 1.169 70.167 68.868 0.216 0.000 1.417 385 T HN 0.846 nan 8.240 nan 0.000 0.510 386 R N 0.369 120.885 120.500 0.027 0.000 2.741 386 R HA 0.416 4.756 4.340 -0.001 0.000 0.276 386 R C -1.712 174.402 176.300 -0.309 0.000 1.028 386 R CA -0.979 55.040 56.100 -0.135 0.000 0.865 386 R CB 0.246 30.430 30.300 -0.194 0.000 1.268 386 R HN 0.541 nan 8.270 nan 0.000 0.475 387 D N 1.935 122.166 120.400 -0.282 0.000 2.417 387 D HA 0.078 4.717 4.640 -0.001 0.000 0.250 387 D C -1.418 174.530 176.300 -0.588 0.000 1.166 387 D CA -1.425 52.368 54.000 -0.345 0.000 0.881 387 D CB 1.321 42.004 40.800 -0.195 0.000 1.164 387 D HN 0.377 nan 8.370 nan 0.000 0.467 388 P HA 0.014 nan 4.420 nan 0.000 0.253 388 P C 1.040 178.046 177.300 -0.490 0.000 1.260 388 P CA 0.050 62.526 63.100 -1.040 0.000 0.800 388 P CB 0.344 31.243 31.700 -1.335 0.000 1.162 389 T N 0.004 114.377 114.554 -0.302 0.000 2.622 389 T HA -0.127 4.223 4.350 -0.001 0.000 0.266 389 T C 1.785 176.431 174.700 -0.091 0.000 1.047 389 T CA 2.377 64.392 62.100 -0.142 0.000 1.159 389 T CB -1.075 67.751 68.868 -0.071 0.000 0.863 389 T HN 0.207 nan 8.240 nan 0.000 0.422 390 T N 2.210 116.715 114.554 -0.082 0.000 2.708 390 T HA -0.047 4.302 4.350 -0.001 0.000 0.266 390 T C -0.551 174.112 174.700 -0.061 0.000 1.037 390 T CA 1.138 63.214 62.100 -0.040 0.000 1.146 390 T CB -1.228 67.646 68.868 0.010 0.000 0.865 390 T HN 0.330 nan 8.240 nan 0.000 0.435 391 P HA 0.006 nan 4.420 nan 0.000 0.216 391 P C 1.490 178.826 177.300 0.060 0.000 1.150 391 P CA 0.896 63.996 63.100 0.000 0.000 0.837 391 P CB -0.167 31.491 31.700 -0.070 0.000 0.786 392 L N -1.425 119.788 121.223 -0.018 0.000 2.109 392 L HA -0.107 4.232 4.340 -0.001 0.000 0.207 392 L C 2.449 179.361 176.870 0.070 0.000 1.086 392 L CA 1.385 56.243 54.840 0.030 0.000 0.760 392 L CB -1.134 40.902 42.059 -0.039 0.000 0.910 392 L HN -0.054 nan 8.230 nan 0.000 0.437 393 A N 0.275 123.125 122.820 0.049 0.000 1.902 393 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 393 A C 2.382 180.038 177.584 0.121 0.000 1.181 393 A CA 1.413 53.499 52.037 0.083 0.000 0.623 393 A CB -0.425 18.603 19.000 0.047 0.000 0.818 393 A HN 0.318 nan 8.150 nan 0.000 0.443 394 R N -0.634 119.910 120.500 0.074 0.000 2.115 394 R HA 0.001 4.340 4.340 -0.001 0.000 0.230 394 R C 2.440 178.898 176.300 0.264 0.000 1.111 394 R CA 1.008 57.167 56.100 0.100 0.000 0.976 394 R CB -0.402 29.895 30.300 -0.004 0.000 0.870 394 R HN 0.508 nan 8.270 nan 0.000 0.445 395 A N 1.399 124.400 122.820 0.302 0.000 1.933 395 A HA -0.099 4.221 4.320 -0.001 0.000 0.218 395 A C 2.374 180.213 177.584 0.426 0.000 1.175 395 A CA 1.603 53.942 52.037 0.504 0.000 0.628 395 A CB -0.550 18.769 19.000 0.531 0.000 0.814 395 A HN 0.375 nan 8.150 nan 0.000 0.444 396 A N -1.223 121.749 122.820 0.252 0.000 1.877 396 A HA -0.203 4.116 4.320 -0.001 0.000 0.216 396 A C 2.104 179.810 177.584 0.203 0.000 1.186 396 A CA 1.468 53.606 52.037 0.167 0.000 0.620 396 A CB -0.882 18.194 19.000 0.127 0.000 0.822 396 A HN 0.830 nan 8.150 nan 0.000 0.443 397 W N 1.085 122.438 121.300 0.088 0.000 2.355 397 W HA -0.143 4.516 4.660 -0.001 0.000 0.309 397 W C 1.696 178.284 176.519 0.115 0.000 1.206 397 W CA 1.927 59.312 57.345 0.067 0.000 1.284 397 W CB -0.372 29.107 29.460 0.032 0.000 1.145 397 W HN 0.575 nan 8.180 nan 0.000 0.502 398 E N -0.831 119.671 120.200 0.503 0.000 2.347 398 E HA -0.128 4.221 4.350 -0.001 0.000 0.196 398 E C 1.915 178.759 176.600 0.407 0.000 1.008 398 E CA 1.393 58.075 56.400 0.469 0.000 0.852 398 E CB -0.213 29.802 29.700 0.524 0.000 0.783 398 E HN 0.083 nan 8.360 nan 0.000 0.505 399 T N 0.295 115.056 114.554 0.344 0.000 2.867 399 T HA -0.057 4.292 4.350 -0.001 0.000 0.268 399 T C 1.675 176.425 174.700 0.083 0.000 1.057 399 T CA 1.257 63.496 62.100 0.232 0.000 1.136 399 T CB 0.087 69.077 68.868 0.203 0.000 0.874 399 T HN 0.231 nan 8.240 nan 0.000 0.466 400 A N -0.009 122.812 122.820 0.001 0.000 2.419 400 A HA 0.385 4.704 4.320 -0.001 0.000 0.233 400 A C 0.732 178.217 177.584 -0.165 0.000 1.217 400 A CA -0.209 51.760 52.037 -0.114 0.000 0.944 400 A CB 0.595 19.480 19.000 -0.191 0.000 1.025 400 A HN 0.069 nan 8.150 nan 0.000 0.524 401 R N 0.453 120.907 120.500 -0.077 0.000 2.538 401 R HA 0.309 4.649 4.340 -0.001 0.000 0.292 401 R C -1.601 174.791 176.300 0.152 0.000 1.008 401 R CA -0.423 55.657 56.100 -0.032 0.000 0.896 401 R CB 0.806 31.114 30.300 0.013 0.000 1.187 401 R HN 0.565 nan 8.270 nan 0.000 0.440 402 H N 1.111 120.259 119.070 0.131 0.000 2.803 402 H HA 0.176 4.731 4.556 -0.001 0.000 0.330 402 H C 0.603 176.008 175.328 0.127 0.000 1.057 402 H CA 0.268 56.393 56.048 0.128 0.000 1.458 402 H CB 1.012 30.823 29.762 0.082 0.000 1.470 402 H HN 0.542 nan 8.280 nan 0.000 0.560 403 T N 0.045 114.742 114.554 0.238 0.000 2.916 403 T HA 0.224 4.573 4.350 -0.001 0.000 0.292 403 T C -1.817 172.899 174.700 0.028 0.000 1.064 403 T CA -2.038 60.139 62.100 0.128 0.000 1.011 403 T CB 1.716 70.654 68.868 0.117 0.000 1.152 403 T HN 0.257 nan 8.240 nan 0.000 0.510 404 P HA 0.108 nan 4.420 nan 0.000 0.216 404 P C -0.165 177.078 177.300 -0.096 0.000 1.153 404 P CA 0.412 63.454 63.100 -0.097 0.000 0.848 404 P CB 0.093 31.739 31.700 -0.089 0.000 0.787 405 V N 1.281 121.148 119.914 -0.079 0.000 2.417 405 V HA 0.225 4.345 4.120 -0.001 0.000 0.291 405 V C -0.145 175.885 176.094 -0.107 0.000 1.024 405 V CA -0.802 61.438 62.300 -0.101 0.000 0.861 405 V CB 1.525 33.289 31.823 -0.097 0.000 0.985 405 V HN 0.012 nan 8.190 nan 0.000 0.436 406 N N 3.093 121.677 118.700 -0.192 0.000 2.645 406 N HA 0.078 4.817 4.740 -0.001 0.000 0.233 406 N C 1.348 176.616 175.510 -0.404 0.000 1.058 406 N CA 0.131 52.994 53.050 -0.311 0.000 0.942 406 N CB 1.685 39.834 38.487 -0.564 0.000 1.210 406 N HN 0.830 nan 8.380 nan 0.000 0.512 407 S N 2.135 117.726 115.700 -0.182 0.000 2.399 407 S HA -0.124 4.346 4.470 -0.001 0.000 0.231 407 S C 1.844 176.390 174.600 -0.089 0.000 1.022 407 S CA 0.286 58.423 58.200 -0.106 0.000 0.983 407 S CB -0.414 62.779 63.200 -0.011 0.000 0.803 407 S HN 0.789 nan 8.310 nan 0.000 0.480 408 W N 1.283 122.496 121.300 -0.146 0.000 2.363 408 W HA -0.039 4.620 4.660 -0.001 0.000 0.296 408 W C 1.705 178.130 176.519 -0.157 0.000 1.212 408 W CA 0.528 57.742 57.345 -0.219 0.000 1.260 408 W CB -1.042 27.900 29.460 -0.864 0.000 1.131 408 W HN 0.369 nan 8.180 nan 0.000 0.530 409 L N 2.849 123.405 121.223 -1.113 0.000 2.044 409 L HA 0.166 4.505 4.340 -0.001 0.000 0.205 409 L C 2.696 179.362 176.870 -0.340 0.000 1.075 409 L CA 2.815 57.086 54.840 -0.948 0.000 0.747 409 L CB -1.407 39.864 42.059 -1.313 0.000 0.903 409 L HN 0.046 nan 8.230 nan 0.000 0.435 410 G N -0.591 108.032 108.800 -0.294 0.000 2.440 410 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.218 410 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.218 410 G C 1.463 176.359 174.900 -0.007 0.000 1.154 410 G CA 0.830 45.848 45.100 -0.137 0.000 0.767 410 G HN 0.448 nan 8.290 nan 0.000 0.552 411 N N 0.492 119.248 118.700 0.092 0.000 2.188 411 N HA 0.001 4.740 4.740 -0.001 0.000 0.184 411 N C 2.234 177.873 175.510 0.215 0.000 1.018 411 N CA 0.575 53.800 53.050 0.291 0.000 0.858 411 N CB -0.137 38.619 38.487 0.449 0.000 0.989 411 N HN 0.340 nan 8.380 nan 0.000 0.426 412 I N 0.900 121.566 120.570 0.160 0.000 2.252 412 I HA -0.205 3.964 4.170 -0.001 0.000 0.245 412 I C 2.001 178.173 176.117 0.091 0.000 1.102 412 I CA 0.816 62.197 61.300 0.136 0.000 1.385 412 I CB -0.109 38.044 38.000 0.255 0.000 1.064 412 I HN 0.037 nan 8.210 nan 0.000 0.414 413 I N 0.009 120.634 120.570 0.093 0.000 2.142 413 I HA -0.300 3.869 4.170 -0.001 0.000 0.240 413 I C 2.461 178.684 176.117 0.177 0.000 1.078 413 I CA 1.302 62.683 61.300 0.136 0.000 1.343 413 I CB -0.234 37.836 38.000 0.117 0.000 1.046 413 I HN 0.210 nan 8.210 nan 0.000 0.405 414 M N -0.815 118.808 119.600 0.038 0.000 2.349 414 M HA -0.092 4.388 4.480 -0.001 0.000 0.266 414 M C 0.929 177.069 176.300 -0.266 0.000 1.076 414 M CA 1.583 56.815 55.300 -0.114 0.000 1.126 414 M CB -0.595 31.801 32.600 -0.340 0.000 1.392 414 M HN 0.203 nan 8.290 nan 0.000 0.440 415 Y N -0.568 119.719 120.300 -0.022 0.000 2.720 415 Y HA 0.476 5.026 4.550 -0.001 0.000 0.268 415 Y C 1.791 177.441 175.900 -0.417 0.000 1.142 415 Y CA -0.457 57.519 58.100 -0.206 0.000 1.193 415 Y CB -0.880 37.399 38.460 -0.303 0.000 1.176 415 Y HN 0.145 nan 8.280 nan 0.000 0.542 416 A N 0.830 123.468 122.820 -0.303 0.000 1.986 416 A HA -0.159 4.160 4.320 -0.001 0.000 0.220 416 A C -0.473 176.851 177.584 -0.433 0.000 1.171 416 A CA 1.695 53.519 52.037 -0.354 0.000 0.640 416 A CB -1.258 17.543 19.000 -0.331 0.000 0.811 416 A HN 0.285 nan 8.150 nan 0.000 0.451 417 P HA 0.034 nan 4.420 nan 0.000 0.236 417 P C 0.654 177.728 177.300 -0.376 0.000 1.177 417 P CA 1.134 63.983 63.100 -0.418 0.000 0.773 417 P CB -0.232 31.246 31.700 -0.369 0.000 0.878 418 T N -2.584 111.763 114.554 -0.345 0.000 2.899 418 T HA 0.123 4.472 4.350 -0.001 0.000 0.295 418 T C 1.107 175.431 174.700 -0.627 0.000 1.033 418 T CA -0.620 61.248 62.100 -0.386 0.000 1.084 418 T CB 0.588 69.053 68.868 -0.672 0.000 0.979 418 T HN -0.196 nan 8.240 nan 0.000 0.532 419 L N 1.950 122.715 121.223 -0.764 0.000 2.017 419 L HA 0.030 4.369 4.340 -0.001 0.000 0.208 419 L C 2.435 178.996 176.870 -0.516 0.000 1.073 419 L CA 1.699 56.013 54.840 -0.877 0.000 0.745 419 L CB -0.955 40.500 42.059 -1.006 0.000 0.894 419 L HN 0.925 nan 8.230 nan 0.000 0.432 420 W N -0.691 120.404 121.300 -0.341 0.000 2.381 420 W HA 0.023 4.682 4.660 -0.001 0.000 0.301 420 W C 2.018 178.409 176.519 -0.213 0.000 1.205 420 W CA 0.862 58.046 57.345 -0.269 0.000 1.285 420 W CB -1.471 27.864 29.460 -0.209 0.000 1.133 420 W HN 0.312 nan 8.180 nan 0.000 0.521 421 A N 1.844 124.199 122.820 -0.775 0.000 1.930 421 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 421 A C 2.254 179.689 177.584 -0.248 0.000 1.175 421 A CA 1.785 53.516 52.037 -0.511 0.000 0.627 421 A CB -0.734 17.802 19.000 -0.774 0.000 0.815 421 A HN 0.325 nan 8.150 nan 0.000 0.443 422 R N -1.067 119.206 120.500 -0.378 0.000 2.062 422 R HA 0.069 4.408 4.340 -0.001 0.000 0.229 422 R C 2.244 178.391 176.300 -0.256 0.000 1.128 422 R CA 1.643 57.539 56.100 -0.340 0.000 0.960 422 R CB -0.341 29.589 30.300 -0.618 0.000 0.855 422 R HN 0.498 nan 8.270 nan 0.000 0.432 423 M N -0.202 119.121 119.600 -0.462 0.000 2.288 423 M HA -0.016 4.463 4.480 -0.001 0.000 0.266 423 M C 1.899 178.199 176.300 0.000 0.000 1.072 423 M CA 1.471 56.623 55.300 -0.247 0.000 1.132 423 M CB 0.114 32.501 32.600 -0.355 0.000 1.386 423 M HN 0.126 nan 8.290 nan 0.000 0.432 424 I N -0.744 119.658 120.570 -0.280 0.000 2.962 424 I HA -0.098 4.071 4.170 -0.001 0.000 0.246 424 I C 2.104 178.057 176.117 -0.273 0.000 1.091 424 I CA 0.309 61.172 61.300 -0.729 0.000 1.469 424 I CB -0.320 37.177 38.000 -0.837 0.000 1.324 424 I HN 0.124 nan 8.210 nan 0.000 0.461 425 L N 0.435 121.676 121.223 0.031 0.000 1.989 425 L HA -0.252 4.088 4.340 -0.001 0.000 0.211 425 L C 2.732 179.903 176.870 0.501 0.000 1.071 425 L CA 1.774 56.831 54.840 0.361 0.000 0.749 425 L CB -0.534 41.779 42.059 0.424 0.000 0.890 425 L HN 0.305 nan 8.230 nan 0.000 0.431 426 M N -0.879 118.984 119.600 0.439 0.000 2.067 426 M HA -0.190 4.290 4.480 -0.001 0.000 0.260 426 M C 2.355 179.157 176.300 0.836 0.000 1.069 426 M CA 2.200 57.872 55.300 0.619 0.000 1.117 426 M CB -0.744 32.035 32.600 0.298 0.000 1.334 426 M HN 0.280 nan 8.290 nan 0.000 0.407 427 T N -1.227 113.797 114.554 0.783 0.000 2.652 427 T HA -0.240 4.109 4.350 -0.001 0.000 0.267 427 T C 1.655 176.643 174.700 0.480 0.000 1.039 427 T CA 2.025 64.538 62.100 0.688 0.000 1.153 427 T CB -0.617 68.696 68.868 0.742 0.000 0.863 427 T HN 0.459 nan 8.240 nan 0.000 0.428 428 H N 0.490 119.732 119.070 0.286 0.000 2.270 428 H HA -0.026 4.529 4.556 -0.001 0.000 0.299 428 H C 1.815 177.005 175.328 -0.229 0.000 1.077 428 H CA 1.630 57.706 56.048 0.046 0.000 1.294 428 H CB -0.564 29.055 29.762 -0.237 0.000 1.371 428 H HN 0.343 nan 8.280 nan 0.000 0.491 429 F N -1.054 118.826 119.950 -0.117 0.000 2.259 429 F HA -0.027 4.500 4.527 -0.001 0.000 0.298 429 F C 2.047 177.646 175.800 -0.334 0.000 1.088 429 F CA 0.640 58.336 58.000 -0.507 0.000 1.358 429 F CB -0.579 37.760 39.000 -1.102 0.000 1.040 429 F HN 0.151 nan 8.300 nan 0.000 0.505 430 F N -0.703 119.317 119.950 0.117 0.000 2.325 430 F HA -0.155 4.372 4.527 -0.001 0.000 0.299 430 F C 2.684 178.502 175.800 0.030 0.000 1.090 430 F CA 1.329 59.419 58.000 0.150 0.000 1.392 430 F CB -0.718 38.477 39.000 0.324 0.000 1.053 430 F HN -0.102 nan 8.300 nan 0.000 0.521 431 S N 0.404 116.169 115.700 0.107 0.000 2.356 431 S HA -0.163 4.307 4.470 -0.001 0.000 0.223 431 S C 2.156 176.710 174.600 -0.076 0.000 1.032 431 S CA 1.368 59.564 58.200 -0.007 0.000 1.005 431 S CB -0.411 62.763 63.200 -0.044 0.000 0.867 431 S HN 0.325 nan 8.310 nan 0.000 0.449 432 I N 1.319 121.777 120.570 -0.187 0.000 2.226 432 I HA -0.176 3.994 4.170 -0.001 0.000 0.245 432 I C 2.197 178.266 176.117 -0.081 0.000 1.100 432 I CA 1.077 62.270 61.300 -0.178 0.000 1.374 432 I CB -0.376 37.449 38.000 -0.292 0.000 1.057 432 I HN 0.319 nan 8.210 nan 0.000 0.413 433 L N 0.100 121.276 121.223 -0.078 0.000 2.046 433 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 433 L C 2.562 179.438 176.870 0.009 0.000 1.077 433 L CA 1.257 56.075 54.840 -0.038 0.000 0.747 433 L CB -0.547 41.449 42.059 -0.104 0.000 0.896 433 L HN 0.265 nan 8.230 nan 0.000 0.432 434 L N -0.097 121.146 121.223 0.034 0.000 1.970 434 L HA -0.234 4.106 4.340 -0.001 0.000 0.212 434 L C 2.873 179.755 176.870 0.020 0.000 1.071 434 L CA 1.442 56.311 54.840 0.049 0.000 0.751 434 L CB -0.682 41.411 42.059 0.056 0.000 0.889 434 L HN 0.251 nan 8.230 nan 0.000 0.432 435 A N -1.162 121.658 122.820 -0.000 0.000 2.024 435 A HA -0.208 4.111 4.320 -0.001 0.000 0.220 435 A C 2.031 179.617 177.584 0.003 0.000 1.164 435 A CA 1.465 53.498 52.037 -0.007 0.000 0.643 435 A CB -0.238 18.748 19.000 -0.023 0.000 0.806 435 A HN 0.492 nan 8.150 nan 0.000 0.451 436 Q N -1.000 118.805 119.800 0.009 0.000 2.282 436 Q HA 0.102 4.441 4.340 -0.001 0.000 0.206 436 Q C -0.545 175.469 176.000 0.023 0.000 0.878 436 Q CA 0.381 56.196 55.803 0.019 0.000 0.944 436 Q CB 0.192 28.947 28.738 0.029 0.000 1.100 436 Q HN 0.800 nan 8.270 nan 0.000 0.509 437 E N 0.820 121.035 120.200 0.025 0.000 2.320 437 E HA -0.235 4.115 4.350 -0.001 0.000 0.234 437 E C -0.384 176.236 176.600 0.033 0.000 1.183 437 E CA 0.310 56.728 56.400 0.031 0.000 0.713 437 E CB -1.347 28.369 29.700 0.026 0.000 1.226 437 E HN 0.449 nan 8.360 nan 0.000 0.382 438 Q N -0.286 119.534 119.800 0.033 0.000 2.141 438 Q HA 0.232 4.571 4.340 -0.001 0.000 0.248 438 Q C 1.482 177.505 176.000 0.038 0.000 0.834 438 Q CA -0.233 55.590 55.803 0.033 0.000 1.096 438 Q CB 0.506 29.262 28.738 0.030 0.000 1.189 438 Q HN 0.369 nan 8.270 nan 0.000 0.471 439 L N 0.174 121.426 121.223 0.049 0.000 2.201 439 L HA -0.129 4.210 4.340 -0.001 0.000 0.212 439 L C 1.447 178.361 176.870 0.073 0.000 1.105 439 L CA 1.377 56.257 54.840 0.066 0.000 0.775 439 L CB 0.058 42.188 42.059 0.120 0.000 0.913 439 L HN 0.297 nan 8.230 nan 0.000 0.440 440 E N -0.268 119.969 120.200 0.062 0.000 2.474 440 E HA -0.005 4.345 4.350 -0.001 0.000 0.195 440 E C 0.451 177.079 176.600 0.047 0.000 1.039 440 E CA -0.112 56.322 56.400 0.057 0.000 0.881 440 E CB 0.338 30.067 29.700 0.050 0.000 0.970 440 E HN 0.190 nan 8.360 nan 0.000 0.486 441 K N 1.984 122.409 120.400 0.043 0.000 2.285 441 K HA 0.318 4.638 4.320 -0.001 0.000 0.286 441 K C -0.458 176.162 176.600 0.034 0.000 1.072 441 K CA -0.337 55.970 56.287 0.033 0.000 0.913 441 K CB 0.727 33.241 32.500 0.023 0.000 1.067 441 K HN -0.069 nan 8.250 nan 0.000 0.479 442 A N 5.513 128.353 122.820 0.034 0.000 2.520 442 A HA 0.246 4.565 4.320 -0.001 0.000 0.245 442 A C -0.444 177.148 177.584 0.013 0.000 1.072 442 A CA -0.038 52.019 52.037 0.032 0.000 0.761 442 A CB 0.010 19.038 19.000 0.047 0.000 1.004 442 A HN 0.777 nan 8.150 nan 0.000 0.499 443 L N 2.313 123.528 121.223 -0.013 0.000 2.354 443 L HA 0.407 4.747 4.340 -0.001 0.000 0.269 443 L C -0.744 176.079 176.870 -0.079 0.000 1.005 443 L CA -1.077 53.730 54.840 -0.056 0.000 0.819 443 L CB 2.008 44.010 42.059 -0.095 0.000 1.311 443 L HN 0.590 nan 8.230 nan 0.000 0.423 444 D N 1.141 121.492 120.400 -0.082 0.000 2.264 444 D HA 0.516 5.155 4.640 -0.001 0.000 0.249 444 D C -0.430 175.783 176.300 -0.145 0.000 1.070 444 D CA -0.051 53.906 54.000 -0.072 0.000 0.912 444 D CB 1.833 42.612 40.800 -0.035 0.000 1.193 444 D HN 0.629 nan 8.370 nan 0.000 0.427 445 C N -0.135 119.086 119.300 -0.133 0.000 3.318 445 C HA 0.659 5.118 4.460 -0.001 0.000 0.322 445 C C -1.300 173.627 174.990 -0.105 0.000 1.398 445 C CA -0.845 58.072 59.018 -0.169 0.000 1.339 445 C CB 1.435 29.026 27.740 -0.249 0.000 1.668 445 C HN 0.537 nan 8.230 nan 0.000 0.462 446 Q N 0.661 120.402 119.800 -0.099 0.000 2.340 446 Q HA 0.742 5.082 4.340 -0.001 0.000 0.268 446 Q C -1.331 174.633 176.000 -0.060 0.000 1.031 446 Q CA -0.400 55.370 55.803 -0.055 0.000 0.804 446 Q CB 2.488 31.196 28.738 -0.050 0.000 1.286 446 Q HN 0.729 nan 8.270 nan 0.000 0.448 447 I N 2.809 123.357 120.570 -0.036 0.000 2.439 447 I HA 0.207 4.376 4.170 -0.001 0.000 0.285 447 I C -1.019 175.127 176.117 0.048 0.000 1.021 447 I CA -0.845 60.369 61.300 -0.143 0.000 1.091 447 I CB 1.038 38.731 38.000 -0.511 0.000 1.242 447 I HN 0.662 nan 8.210 nan 0.000 0.439 448 Y N 5.204 125.550 120.300 0.077 0.000 3.389 448 Y HA -0.252 4.297 4.550 -0.001 0.000 0.213 448 Y C 1.461 177.307 175.900 -0.090 0.000 1.272 448 Y CA 1.064 59.172 58.100 0.014 0.000 1.444 448 Y CB -1.973 36.514 38.460 0.044 0.000 1.445 448 Y HN 0.988 nan 8.280 nan 0.000 0.583 449 G N -2.041 106.824 108.800 0.108 0.000 2.304 449 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.252 449 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.252 449 G C 0.557 175.454 174.900 -0.004 0.000 1.014 449 G CA 0.300 45.422 45.100 0.036 0.000 0.619 449 G HN 1.610 nan 8.290 nan 0.000 0.525 450 A N -0.281 122.536 122.820 -0.006 0.000 2.340 450 A HA 0.597 4.917 4.320 -0.001 0.000 0.268 450 A C 0.653 178.019 177.584 -0.364 0.000 1.100 450 A CA 0.508 52.371 52.037 -0.289 0.000 0.803 450 A CB 0.594 19.315 19.000 -0.465 0.000 1.043 450 A HN 1.059 nan 8.150 nan 0.000 0.488 451 C N 1.382 120.376 119.300 -0.511 0.000 2.330 451 C HA 0.632 5.091 4.460 -0.001 0.000 0.344 451 C C -0.583 173.939 174.990 -0.781 0.000 1.273 451 C CA -0.197 58.588 59.018 -0.388 0.000 1.879 451 C CB -1.386 26.298 27.740 -0.094 0.000 2.376 451 C HN 0.694 nan 8.230 nan 0.000 0.534 452 Y N 0.836 120.914 120.300 -0.370 0.000 2.425 452 Y HA 0.452 5.001 4.550 -0.001 0.000 0.344 452 Y C 0.356 176.110 175.900 -0.244 0.000 0.969 452 Y CA -0.369 57.476 58.100 -0.425 0.000 1.052 452 Y CB 1.657 39.809 38.460 -0.513 0.000 1.215 452 Y HN 0.563 nan 8.280 nan 0.000 0.451 453 S N 4.317 119.986 115.700 -0.052 0.000 2.420 453 S HA 0.684 5.153 4.470 -0.001 0.000 0.313 453 S C -0.923 173.712 174.600 0.058 0.000 1.079 453 S CA -0.319 57.907 58.200 0.043 0.000 1.104 453 S CB -0.427 62.847 63.200 0.123 0.000 0.969 453 S HN 0.543 nan 8.310 nan 0.000 0.471 454 I N 3.882 124.473 120.570 0.034 0.000 2.545 454 I HA 0.368 4.537 4.170 -0.001 0.000 0.292 454 I C -0.113 176.025 176.117 0.035 0.000 1.040 454 I CA -0.674 60.658 61.300 0.054 0.000 1.068 454 I CB 2.199 40.232 38.000 0.054 0.000 1.251 454 I HN 0.539 nan 8.210 nan 0.000 0.424 455 E N 6.912 127.147 120.200 0.059 0.000 2.194 455 E HA 0.171 4.521 4.350 -0.001 0.000 0.284 455 E C -1.758 174.893 176.600 0.085 0.000 1.035 455 E CA -1.558 54.879 56.400 0.062 0.000 0.836 455 E CB 1.286 31.024 29.700 0.064 0.000 1.070 455 E HN 0.319 nan 8.360 nan 0.000 0.401 456 P HA -0.218 nan 4.420 nan 0.000 0.217 456 P C 0.996 178.446 177.300 0.250 0.000 1.151 456 P CA 1.179 64.359 63.100 0.134 0.000 0.849 456 P CB 0.213 31.929 31.700 0.028 0.000 0.787 457 L N -0.885 120.459 121.223 0.202 0.000 2.353 457 L HA -0.153 4.187 4.340 -0.001 0.000 0.220 457 L C 1.269 178.232 176.870 0.154 0.000 1.133 457 L CA 1.215 56.184 54.840 0.215 0.000 0.798 457 L CB -0.688 41.458 42.059 0.145 0.000 0.922 457 L HN 0.023 nan 8.230 nan 0.000 0.445 458 D N -0.428 120.047 120.400 0.126 0.000 2.339 458 D HA 0.024 4.663 4.640 -0.001 0.000 0.217 458 D C 2.220 178.574 176.300 0.090 0.000 1.050 458 D CA 0.233 54.278 54.000 0.076 0.000 0.856 458 D CB 0.380 41.210 40.800 0.050 0.000 0.922 458 D HN 0.312 nan 8.370 nan 0.000 0.518 459 L N 0.947 122.272 121.223 0.170 0.000 2.042 459 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 459 L C -0.465 176.508 176.870 0.172 0.000 1.076 459 L CA 1.503 56.462 54.840 0.198 0.000 0.749 459 L CB -1.383 40.875 42.059 0.332 0.000 0.893 459 L HN 0.032 nan 8.230 nan 0.000 0.432 460 P HA -0.196 nan 4.420 nan 0.000 0.215 460 P C 1.360 178.714 177.300 0.091 0.000 1.157 460 P CA 1.298 64.428 63.100 0.051 0.000 0.868 460 P CB 0.062 31.620 31.700 -0.235 0.000 0.788 461 Q N -0.857 118.931 119.800 -0.021 0.000 2.079 461 Q HA -0.087 4.253 4.340 -0.001 0.000 0.200 461 Q C 2.197 178.178 176.000 -0.031 0.000 0.974 461 Q CA 1.267 57.045 55.803 -0.041 0.000 0.840 461 Q CB -0.989 27.704 28.738 -0.075 0.000 0.898 461 Q HN 0.252 nan 8.270 nan 0.000 0.430 462 I N 0.099 120.649 120.570 -0.034 0.000 2.179 462 I HA -0.274 3.896 4.170 -0.001 0.000 0.242 462 I C 2.017 178.114 176.117 -0.033 0.000 1.088 462 I CA 1.209 62.446 61.300 -0.106 0.000 1.357 462 I CB -0.266 37.694 38.000 -0.067 0.000 1.051 462 I HN 0.200 nan 8.210 nan 0.000 0.409 463 I N 0.343 120.970 120.570 0.094 0.000 2.252 463 I HA -0.275 3.894 4.170 -0.001 0.000 0.245 463 I C 2.625 178.758 176.117 0.027 0.000 1.102 463 I CA 1.309 62.685 61.300 0.126 0.000 1.385 463 I CB -0.379 37.711 38.000 0.150 0.000 1.064 463 I HN 0.296 nan 8.210 nan 0.000 0.414 464 E N 1.082 121.339 120.200 0.095 0.000 2.038 464 E HA -0.245 4.105 4.350 -0.001 0.000 0.195 464 E C 2.399 178.994 176.600 -0.010 0.000 1.000 464 E CA 1.114 57.560 56.400 0.076 0.000 0.803 464 E CB 0.099 29.908 29.700 0.182 0.000 0.750 464 E HN 0.248 nan 8.360 nan 0.000 0.448 465 R N 0.162 120.635 120.500 -0.046 0.000 2.105 465 R HA -0.110 4.229 4.340 -0.001 0.000 0.239 465 R C 2.430 178.657 176.300 -0.121 0.000 1.135 465 R CA 0.938 56.980 56.100 -0.096 0.000 0.967 465 R CB -0.484 29.720 30.300 -0.161 0.000 0.861 465 R HN 0.360 nan 8.270 nan 0.000 0.442 466 L N -1.180 119.945 121.223 -0.162 0.000 2.168 466 L HA -0.027 4.312 4.340 -0.001 0.000 0.203 466 L C 1.985 178.601 176.870 -0.424 0.000 1.078 466 L CA 0.882 55.555 54.840 -0.278 0.000 0.780 466 L CB -0.324 41.524 42.059 -0.352 0.000 0.939 466 L HN 0.227 nan 8.230 nan 0.000 0.451 467 H N -0.632 118.377 119.070 -0.101 0.000 2.729 467 H HA 0.310 4.866 4.556 -0.001 0.000 0.263 467 H C 0.960 176.208 175.328 -0.132 0.000 0.961 467 H CA 0.836 56.807 56.048 -0.128 0.000 1.217 467 H CB 1.062 30.714 29.762 -0.182 0.000 1.447 467 H HN 0.294 nan 8.280 nan 0.000 0.496 468 G N 0.757 109.538 108.800 -0.032 0.000 2.707 468 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.686 468 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.686 468 G C 0.582 175.435 174.900 -0.078 0.000 1.315 468 G CA -0.196 44.886 45.100 -0.029 0.000 0.832 468 G HN 0.199 nan 8.290 nan 0.000 0.573 469 L N 0.970 122.209 121.223 0.028 0.000 2.265 469 L HA -0.082 4.257 4.340 -0.001 0.000 0.215 469 L C 3.189 180.074 176.870 0.025 0.000 1.117 469 L CA 2.070 56.991 54.840 0.135 0.000 0.782 469 L CB -0.513 41.690 42.059 0.239 0.000 0.914 469 L HN 0.914 nan 8.230 nan 0.000 0.441 470 S N 0.099 115.776 115.700 -0.039 0.000 2.440 470 S HA -0.178 4.291 4.470 -0.001 0.000 0.238 470 S C 2.071 176.579 174.600 -0.153 0.000 1.010 470 S CA 0.849 59.011 58.200 -0.063 0.000 0.972 470 S CB -0.338 62.820 63.200 -0.069 0.000 0.774 470 S HN 0.378 nan 8.310 nan 0.000 0.501 471 A N 0.524 123.160 122.820 -0.308 0.000 2.121 471 A HA 0.210 4.530 4.320 -0.001 0.000 0.218 471 A C 1.435 178.803 177.584 -0.360 0.000 1.154 471 A CA 0.809 52.587 52.037 -0.432 0.000 0.679 471 A CB -0.767 17.873 19.000 -0.601 0.000 0.795 471 A HN 0.588 nan 8.150 nan 0.000 0.458 472 F N -0.071 119.891 119.950 0.021 0.000 2.765 472 F HA 0.134 4.661 4.527 -0.001 0.000 0.302 472 F C 1.571 177.413 175.800 0.070 0.000 1.111 472 F CA 0.490 58.526 58.000 0.060 0.000 1.359 472 F CB 0.121 39.178 39.000 0.095 0.000 1.097 472 F HN 0.227 nan 8.300 nan 0.000 0.577 473 S N -1.471 114.327 115.700 0.163 0.000 2.993 473 S HA 0.311 4.780 4.470 -0.001 0.000 0.257 473 S C -0.029 174.627 174.600 0.093 0.000 0.997 473 S CA -0.391 57.901 58.200 0.153 0.000 1.191 473 S CB -0.623 62.661 63.200 0.139 0.000 1.143 473 S HN 0.026 nan 8.310 nan 0.000 0.655 474 L N 3.426 124.622 121.223 -0.045 0.000 2.456 474 L HA 0.433 4.772 4.340 -0.001 0.000 0.272 474 L C 0.592 177.361 176.870 -0.167 0.000 1.189 474 L CA 0.159 54.848 54.840 -0.251 0.000 0.846 474 L CB 0.061 41.837 42.059 -0.471 0.000 1.111 474 L HN 0.627 nan 8.230 nan 0.000 0.475 475 H N -1.366 117.545 119.070 -0.263 0.000 2.942 475 H HA 0.418 4.973 4.556 -0.001 0.000 0.316 475 H C -0.348 174.885 175.328 -0.159 0.000 1.323 475 H CA -1.025 54.951 56.048 -0.118 0.000 1.144 475 H CB 1.057 30.835 29.762 0.027 0.000 1.866 475 H HN 0.397 nan 8.280 nan 0.000 0.545 476 S N -0.290 115.547 115.700 0.230 0.000 3.527 476 S HA -0.220 4.249 4.470 -0.001 0.000 0.409 476 S C -0.737 173.911 174.600 0.079 0.000 0.900 476 S CA 0.410 58.747 58.200 0.229 0.000 1.320 476 S CB -2.404 60.994 63.200 0.330 0.000 0.915 476 S HN 0.520 nan 8.310 nan 0.000 0.575 477 Y N 1.685 122.023 120.300 0.063 0.000 2.330 477 Y HA 0.350 4.899 4.550 -0.001 0.000 0.341 477 Y C 1.423 177.367 175.900 0.073 0.000 1.278 477 Y CA 0.081 58.205 58.100 0.040 0.000 1.453 477 Y CB 0.374 38.855 38.460 0.036 0.000 1.342 477 Y HN 0.556 nan 8.280 nan 0.000 0.590 478 S N 1.170 117.005 115.700 0.225 0.000 2.579 478 S HA 0.106 4.576 4.470 -0.001 0.000 0.275 478 S C -2.040 172.644 174.600 0.140 0.000 1.345 478 S CA -1.016 57.272 58.200 0.146 0.000 1.031 478 S CB 1.123 64.386 63.200 0.104 0.000 0.892 478 S HN 0.442 nan 8.310 nan 0.000 0.529 479 P HA 0.016 nan 4.420 nan 0.000 0.216 479 P C 1.754 179.097 177.300 0.071 0.000 1.150 479 P CA 1.573 64.723 63.100 0.084 0.000 0.837 479 P CB -0.428 31.312 31.700 0.067 0.000 0.786 480 G N -0.052 108.786 108.800 0.063 0.000 2.440 480 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.218 480 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.218 480 G C 1.672 176.603 174.900 0.051 0.000 1.154 480 G CA 0.950 46.078 45.100 0.047 0.000 0.767 480 G HN 0.253 nan 8.290 nan 0.000 0.552 481 E N 0.714 120.963 120.200 0.083 0.000 2.047 481 E HA -0.044 4.305 4.350 -0.001 0.000 0.191 481 E C 2.486 179.131 176.600 0.075 0.000 0.987 481 E CA 0.766 57.226 56.400 0.100 0.000 0.799 481 E CB -0.419 29.398 29.700 0.197 0.000 0.752 481 E HN 0.494 nan 8.360 nan 0.000 0.449 482 I N 0.959 121.580 120.570 0.085 0.000 2.163 482 I HA -0.319 3.850 4.170 -0.001 0.000 0.243 482 I C 1.981 178.121 176.117 0.038 0.000 1.085 482 I CA 1.308 62.641 61.300 0.054 0.000 1.347 482 I CB -0.510 37.536 38.000 0.077 0.000 1.044 482 I HN 0.174 nan 8.210 nan 0.000 0.408 483 N N 0.656 119.381 118.700 0.041 0.000 2.223 483 N HA -0.197 4.543 4.740 -0.001 0.000 0.185 483 N C 1.906 177.423 175.510 0.012 0.000 1.016 483 N CA 1.105 54.172 53.050 0.029 0.000 0.863 483 N CB -0.407 38.098 38.487 0.030 0.000 0.983 483 N HN 0.390 nan 8.380 nan 0.000 0.429 484 R N 0.949 121.451 120.500 0.005 0.000 2.075 484 R HA -0.021 4.318 4.340 -0.001 0.000 0.232 484 R C 1.938 178.211 176.300 -0.046 0.000 1.126 484 R CA 0.873 56.959 56.100 -0.023 0.000 0.963 484 R CB -0.111 30.169 30.300 -0.035 0.000 0.858 484 R HN -0.067 nan 8.270 nan 0.000 0.435 485 V N 1.204 121.096 119.914 -0.036 0.000 2.237 485 V HA -0.237 3.882 4.120 -0.001 0.000 0.245 485 V C 2.514 178.593 176.094 -0.024 0.000 1.046 485 V CA 2.016 64.285 62.300 -0.052 0.000 1.007 485 V CB -0.899 30.920 31.823 -0.007 0.000 0.638 485 V HN 0.568 nan 8.190 nan 0.000 0.445 486 A N -0.394 122.429 122.820 0.005 0.000 1.948 486 A HA -0.252 4.068 4.320 -0.001 0.000 0.220 486 A C 2.474 180.069 177.584 0.018 0.000 1.177 486 A CA 2.481 54.532 52.037 0.023 0.000 0.636 486 A CB -0.770 18.250 19.000 0.034 0.000 0.815 486 A HN 0.520 nan 8.150 nan 0.000 0.449 487 S N -1.397 114.307 115.700 0.007 0.000 2.368 487 S HA -0.202 4.267 4.470 -0.001 0.000 0.224 487 S C 2.048 176.650 174.600 0.003 0.000 1.029 487 S CA 1.190 59.395 58.200 0.009 0.000 0.988 487 S CB -0.868 62.334 63.200 0.003 0.000 0.838 487 S HN 0.808 nan 8.310 nan 0.000 0.462 488 C N 2.176 121.462 119.300 -0.023 0.000 2.413 488 C HA -0.025 4.435 4.460 -0.001 0.000 0.276 488 C C 2.417 177.398 174.990 -0.015 0.000 1.248 488 C CA 0.628 59.623 59.018 -0.038 0.000 1.742 488 C CB -1.652 26.026 27.740 -0.103 0.000 2.017 488 C HN 0.569 nan 8.230 nan 0.000 0.481 489 L N 0.291 121.510 121.223 -0.006 0.000 2.046 489 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 489 L C 3.034 179.911 176.870 0.012 0.000 1.077 489 L CA 1.777 56.627 54.840 0.016 0.000 0.747 489 L CB -0.917 41.175 42.059 0.056 0.000 0.896 489 L HN 0.347 nan 8.230 nan 0.000 0.432 490 R N 0.363 120.880 120.500 0.029 0.000 2.096 490 R HA -0.183 4.156 4.340 -0.001 0.000 0.235 490 R C 2.358 178.716 176.300 0.097 0.000 1.127 490 R CA 1.347 57.476 56.100 0.049 0.000 0.968 490 R CB -0.247 30.087 30.300 0.055 0.000 0.861 490 R HN 0.316 nan 8.270 nan 0.000 0.440 491 K N 1.173 121.626 120.400 0.088 0.000 2.026 491 K HA -0.123 4.197 4.320 -0.001 0.000 0.208 491 K C 1.834 178.578 176.600 0.240 0.000 1.048 491 K CA 1.290 57.661 56.287 0.140 0.000 0.929 491 K CB -0.006 32.541 32.500 0.079 0.000 0.713 491 K HN 0.133 nan 8.250 nan 0.000 0.439 492 L N -0.462 120.822 121.223 0.101 0.000 2.492 492 L HA 0.137 4.476 4.340 -0.001 0.000 0.223 492 L C 0.964 177.668 176.870 -0.277 0.000 1.132 492 L CA 0.474 55.349 54.840 0.058 0.000 0.850 492 L CB 0.093 42.172 42.059 0.033 0.000 0.966 492 L HN 0.619 nan 8.230 nan 0.000 0.454 493 G N 0.788 109.281 108.800 -0.512 0.000 2.204 493 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.244 493 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.244 493 G C -0.095 174.636 174.900 -0.282 0.000 1.062 493 G CA -0.094 44.509 45.100 -0.827 0.000 0.798 493 G HN 0.075 nan 8.290 nan 0.000 0.496 494 V N 0.774 120.631 119.914 -0.096 0.000 2.509 494 V HA 0.449 4.568 4.120 -0.001 0.000 0.284 494 V C -1.297 174.875 176.094 0.129 0.000 1.047 494 V CA -1.607 60.735 62.300 0.070 0.000 0.952 494 V CB 1.648 33.541 31.823 0.117 0.000 0.988 494 V HN 0.163 nan 8.190 nan 0.000 0.469 495 P HA 0.100 nan 4.420 nan 0.000 0.266 495 P C -2.417 175.013 177.300 0.216 0.000 1.195 495 P CA -0.641 62.502 63.100 0.072 0.000 0.768 495 P CB -0.107 31.481 31.700 -0.187 0.000 0.838 496 P HA 0.005 nan 4.420 nan 0.000 0.270 496 P C 0.915 178.382 177.300 0.278 0.000 1.223 496 P CA 0.123 63.322 63.100 0.166 0.000 0.785 496 P CB 0.754 32.505 31.700 0.086 0.000 0.923 497 L N 1.095 122.484 121.223 0.276 0.000 2.081 497 L HA -0.239 4.100 4.340 -0.001 0.000 0.212 497 L C 2.902 179.948 176.870 0.293 0.000 1.080 497 L CA 1.977 57.009 54.840 0.320 0.000 0.754 497 L CB -0.865 41.297 42.059 0.172 0.000 0.893 497 L HN 0.502 nan 8.230 nan 0.000 0.433 498 R N -0.247 120.366 120.500 0.187 0.000 2.105 498 R HA -0.119 4.220 4.340 -0.001 0.000 0.239 498 R C 1.988 178.370 176.300 0.137 0.000 1.135 498 R CA 1.522 57.714 56.100 0.153 0.000 0.967 498 R CB -1.052 29.300 30.300 0.087 0.000 0.861 498 R HN 0.162 nan 8.270 nan 0.000 0.442 499 V N 0.658 120.610 119.914 0.062 0.000 2.307 499 V HA -0.193 3.926 4.120 -0.001 0.000 0.245 499 V C 2.005 178.071 176.094 -0.047 0.000 1.045 499 V CA 1.882 64.140 62.300 -0.070 0.000 1.024 499 V CB -0.689 30.974 31.823 -0.267 0.000 0.651 499 V HN 0.385 nan 8.190 nan 0.000 0.449 500 W N 0.190 121.591 121.300 0.168 0.000 2.374 500 W HA -0.127 4.533 4.660 -0.001 0.000 0.288 500 W C 2.705 179.417 176.519 0.321 0.000 1.218 500 W CA 1.541 59.021 57.345 0.224 0.000 1.245 500 W CB -0.287 29.303 29.460 0.217 0.000 1.126 500 W HN 0.083 nan 8.180 nan 0.000 0.545 501 R N -0.274 120.540 120.500 0.523 0.000 2.092 501 R HA -0.217 4.123 4.340 -0.001 0.000 0.231 501 R C 2.072 178.511 176.300 0.232 0.000 1.119 501 R CA 2.023 58.418 56.100 0.491 0.000 0.970 501 R CB -0.659 29.901 30.300 0.434 0.000 0.864 501 R HN 0.247 nan 8.270 nan 0.000 0.440 502 H N 0.431 119.559 119.070 0.098 0.000 2.326 502 H HA -0.005 4.551 4.556 -0.001 0.000 0.301 502 H C 1.976 177.287 175.328 -0.029 0.000 1.081 502 H CA 2.070 58.122 56.048 0.006 0.000 1.334 502 H CB 0.101 29.849 29.762 -0.024 0.000 1.385 502 H HN 0.131 nan 8.280 nan 0.000 0.504 503 R N -0.194 120.287 120.500 -0.032 0.000 2.096 503 R HA -0.063 4.277 4.340 -0.001 0.000 0.235 503 R C 2.521 178.744 176.300 -0.129 0.000 1.127 503 R CA 0.957 56.993 56.100 -0.106 0.000 0.968 503 R CB -0.300 29.979 30.300 -0.035 0.000 0.861 503 R HN 0.398 nan 8.270 nan 0.000 0.440 504 A N 1.249 124.045 122.820 -0.040 0.000 1.933 504 A HA -0.184 4.136 4.320 -0.001 0.000 0.218 504 A C 2.053 179.367 177.584 -0.449 0.000 1.175 504 A CA 1.250 53.140 52.037 -0.246 0.000 0.628 504 A CB -0.338 18.574 19.000 -0.147 0.000 0.814 504 A HN 0.227 nan 8.150 nan 0.000 0.444 505 R N -0.647 119.650 120.500 -0.339 0.000 2.096 505 R HA -0.095 4.244 4.340 -0.001 0.000 0.235 505 R C 2.632 178.748 176.300 -0.306 0.000 1.127 505 R CA 1.427 57.339 56.100 -0.314 0.000 0.968 505 R CB -0.325 29.826 30.300 -0.249 0.000 0.861 505 R HN 0.588 nan 8.270 nan 0.000 0.440 506 S N 0.160 115.669 115.700 -0.318 0.000 2.345 506 S HA -0.082 4.387 4.470 -0.001 0.000 0.219 506 S C 2.041 176.487 174.600 -0.257 0.000 1.031 506 S CA 1.144 59.188 58.200 -0.261 0.000 0.984 506 S CB -0.131 62.921 63.200 -0.247 0.000 0.874 506 S HN 0.101 nan 8.310 nan 0.000 0.451 507 V N 2.737 122.452 119.914 -0.330 0.000 2.332 507 V HA -0.167 3.952 4.120 -0.001 0.000 0.248 507 V C 2.762 178.595 176.094 -0.436 0.000 1.055 507 V CA 2.312 64.387 62.300 -0.376 0.000 1.038 507 V CB -0.918 30.582 31.823 -0.539 0.000 0.651 507 V HN 0.524 nan 8.190 nan 0.000 0.450 508 R N 0.367 120.525 120.500 -0.571 0.000 2.083 508 R HA -0.195 4.144 4.340 -0.001 0.000 0.237 508 R C 2.314 178.500 176.300 -0.191 0.000 1.137 508 R CA 1.887 57.768 56.100 -0.366 0.000 0.951 508 R CB -0.525 29.588 30.300 -0.312 0.000 0.851 508 R HN 0.469 nan 8.270 nan 0.000 0.434 509 A N 0.784 123.493 122.820 -0.186 0.000 1.902 509 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 509 A C 2.212 179.741 177.584 -0.091 0.000 1.181 509 A CA 1.595 53.559 52.037 -0.122 0.000 0.623 509 A CB -0.441 18.486 19.000 -0.122 0.000 0.818 509 A HN 0.338 nan 8.150 nan 0.000 0.443 510 R N -0.485 119.954 120.500 -0.102 0.000 2.073 510 R HA -0.022 4.317 4.340 -0.001 0.000 0.234 510 R C 2.071 178.355 176.300 -0.027 0.000 1.134 510 R CA 1.511 57.575 56.100 -0.060 0.000 0.952 510 R CB -0.538 29.726 30.300 -0.061 0.000 0.850 510 R HN 0.565 nan 8.270 nan 0.000 0.433 511 L N 0.085 121.292 121.223 -0.027 0.000 2.046 511 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 511 L C 2.197 179.076 176.870 0.016 0.000 1.077 511 L CA 1.224 56.079 54.840 0.025 0.000 0.747 511 L CB -0.485 41.599 42.059 0.042 0.000 0.896 511 L HN 0.218 nan 8.230 nan 0.000 0.432 512 L N -0.997 120.220 121.223 -0.011 0.000 2.079 512 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 512 L C 2.636 179.502 176.870 -0.006 0.000 1.081 512 L CA 0.970 55.804 54.840 -0.010 0.000 0.752 512 L CB -0.540 41.502 42.059 -0.029 0.000 0.896 512 L HN 0.192 nan 8.230 nan 0.000 0.433 513 S N -0.790 114.903 115.700 -0.012 0.000 2.442 513 S HA -0.149 4.321 4.470 -0.001 0.000 0.236 513 S C 1.864 176.466 174.600 0.004 0.000 1.007 513 S CA 0.930 59.125 58.200 -0.009 0.000 0.965 513 S CB -0.096 63.095 63.200 -0.015 0.000 0.773 513 S HN 0.470 nan 8.310 nan 0.000 0.504 514 Q N 0.372 120.180 119.800 0.014 0.000 2.389 514 Q HA 0.186 4.525 4.340 -0.001 0.000 0.204 514 Q C 1.382 177.397 176.000 0.026 0.000 0.944 514 Q CA 0.460 56.278 55.803 0.025 0.000 0.908 514 Q CB -0.177 28.586 28.738 0.042 0.000 1.002 514 Q HN 0.538 nan 8.270 nan 0.000 0.493 515 G N 0.455 109.269 108.800 0.022 0.000 2.749 515 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.242 515 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.242 515 G C 0.458 175.376 174.900 0.029 0.000 1.364 515 G CA 0.039 45.152 45.100 0.021 0.000 0.888 515 G HN 0.701 nan 8.290 nan 0.000 0.566 516 G N -1.002 107.814 108.800 0.025 0.000 2.574 516 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.282 516 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.282 516 G C 0.968 175.887 174.900 0.032 0.000 1.257 516 G CA 1.363 46.479 45.100 0.027 0.000 0.956 516 G HN 1.621 nan 8.290 nan 0.000 0.560 517 R N 0.165 120.687 120.500 0.036 0.000 2.105 517 R HA 0.131 4.470 4.340 -0.001 0.000 0.239 517 R C 3.224 179.565 176.300 0.069 0.000 1.135 517 R CA 2.606 58.731 56.100 0.041 0.000 0.967 517 R CB -0.783 29.548 30.300 0.051 0.000 0.861 517 R HN 0.860 nan 8.270 nan 0.000 0.442 518 A N 0.800 123.671 122.820 0.086 0.000 1.883 518 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 518 A C 2.358 179.991 177.584 0.082 0.000 1.186 518 A CA 1.873 53.979 52.037 0.115 0.000 0.624 518 A CB -0.997 18.065 19.000 0.104 0.000 0.822 518 A HN 0.397 nan 8.150 nan 0.000 0.444 519 A N -1.108 121.745 122.820 0.055 0.000 1.908 519 A HA -0.107 4.213 4.320 -0.001 0.000 0.218 519 A C 2.299 179.913 177.584 0.051 0.000 1.181 519 A CA 2.358 54.419 52.037 0.041 0.000 0.627 519 A CB -1.344 17.674 19.000 0.030 0.000 0.818 519 A HN 0.449 nan 8.150 nan 0.000 0.445 520 T N -0.738 113.846 114.554 0.049 0.000 2.720 520 T HA -0.198 4.151 4.350 -0.001 0.000 0.268 520 T C 1.899 176.627 174.700 0.047 0.000 1.037 520 T CA 1.561 63.697 62.100 0.059 0.000 1.144 520 T CB -0.706 68.136 68.868 -0.044 0.000 0.864 520 T HN 0.590 nan 8.240 nan 0.000 0.444 521 C N 1.306 120.611 119.300 0.009 0.000 2.432 521 C HA 0.028 4.488 4.460 -0.001 0.000 0.277 521 C C 3.125 178.093 174.990 -0.037 0.000 1.249 521 C CA 0.540 59.518 59.018 -0.066 0.000 1.725 521 C CB -1.529 26.174 27.740 -0.063 0.000 2.028 521 C HN 0.726 nan 8.230 nan 0.000 0.477 522 G N 0.078 108.910 108.800 0.053 0.000 2.440 522 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.218 522 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.218 522 G C 1.630 176.574 174.900 0.073 0.000 1.154 522 G CA 1.206 46.382 45.100 0.127 0.000 0.767 522 G HN 0.643 nan 8.290 nan 0.000 0.552 523 K N -0.837 119.577 120.400 0.024 0.000 1.985 523 K HA -0.105 4.214 4.320 -0.001 0.000 0.210 523 K C 2.272 178.763 176.600 -0.181 0.000 1.047 523 K CA 1.365 57.618 56.287 -0.057 0.000 0.932 523 K CB -0.285 32.209 32.500 -0.010 0.000 0.716 523 K HN 0.377 nan 8.250 nan 0.000 0.439 524 Y N 0.792 120.900 120.300 -0.320 0.000 2.231 524 Y HA -0.014 4.535 4.550 -0.001 0.000 0.294 524 Y C 2.040 177.627 175.900 -0.522 0.000 1.120 524 Y CA 0.827 58.557 58.100 -0.617 0.000 1.141 524 Y CB -0.230 37.559 38.460 -1.118 0.000 1.022 524 Y HN -0.024 nan 8.280 nan 0.000 0.523 525 L N -1.787 119.271 121.223 -0.275 0.000 2.201 525 L HA -0.150 4.189 4.340 -0.001 0.000 0.212 525 L C 0.662 177.234 176.870 -0.496 0.000 1.105 525 L CA 1.297 55.925 54.840 -0.355 0.000 0.775 525 L CB -0.361 41.272 42.059 -0.709 0.000 0.913 525 L HN 0.168 nan 8.230 nan 0.000 0.440 526 F N -1.725 118.173 119.950 -0.087 0.000 2.764 526 F HA 0.184 4.710 4.527 -0.001 0.000 0.310 526 F C 1.629 177.114 175.800 -0.525 0.000 1.124 526 F CA -0.371 57.377 58.000 -0.419 0.000 1.252 526 F CB -0.692 38.066 39.000 -0.403 0.000 1.010 526 F HN -0.004 nan 8.300 nan 0.000 0.518 527 N N 0.860 119.482 118.700 -0.130 0.000 2.364 527 N HA -0.166 4.573 4.740 -0.001 0.000 0.183 527 N C 1.890 177.372 175.510 -0.046 0.000 1.022 527 N CA 1.293 54.285 53.050 -0.096 0.000 0.883 527 N CB -0.057 38.394 38.487 -0.060 0.000 0.965 527 N HN 0.574 nan 8.380 nan 0.000 0.438 528 W N 0.016 121.366 121.300 0.083 0.000 2.525 528 W HA 0.124 4.784 4.660 -0.001 0.000 0.259 528 W C 1.356 177.940 176.519 0.109 0.000 1.253 528 W CA 0.523 57.926 57.345 0.098 0.000 1.262 528 W CB -0.530 28.999 29.460 0.114 0.000 1.122 528 W HN -0.015 nan 8.180 nan 0.000 0.607 529 A N 1.597 124.033 122.820 -0.640 0.000 2.072 529 A HA 0.162 4.482 4.320 -0.001 0.000 0.216 529 A C 1.156 178.614 177.584 -0.211 0.000 1.156 529 A CA 1.035 52.721 52.037 -0.584 0.000 0.701 529 A CB -0.847 17.582 19.000 -0.952 0.000 0.816 529 A HN 0.116 nan 8.150 nan 0.000 0.458 530 V N -1.790 118.028 119.914 -0.159 0.000 2.644 530 V HA 0.355 4.475 4.120 -0.001 0.000 0.295 530 V C 0.953 177.028 176.094 -0.031 0.000 1.053 530 V CA -0.329 61.918 62.300 -0.089 0.000 0.987 530 V CB 1.402 33.168 31.823 -0.095 0.000 1.006 530 V HN 0.529 nan 8.190 nan 0.000 0.472 531 K N 1.707 122.096 120.400 -0.019 0.000 2.103 531 K HA 0.017 4.336 4.320 -0.001 0.000 0.204 531 K C 0.619 177.211 176.600 -0.014 0.000 1.052 531 K CA 1.226 57.511 56.287 -0.004 0.000 0.945 531 K CB -0.393 32.106 32.500 -0.001 0.000 0.722 531 K HN 0.653 nan 8.250 nan 0.000 0.443 532 T N 2.570 117.109 114.554 -0.025 0.000 3.145 532 T HA 0.251 4.601 4.350 -0.001 0.000 0.362 532 T C -0.515 174.163 174.700 -0.036 0.000 1.340 532 T CA -0.646 61.437 62.100 -0.028 0.000 1.069 532 T CB 0.876 69.727 68.868 -0.029 0.000 1.129 532 T HN 0.042 nan 8.240 nan 0.000 0.585 533 K N 1.813 122.194 120.400 -0.031 0.000 2.170 533 K HA 0.403 4.723 4.320 -0.001 0.000 0.241 533 K C 0.594 177.162 176.600 -0.054 0.000 1.071 533 K CA -0.062 56.202 56.287 -0.039 0.000 0.822 533 K CB 0.262 32.752 32.500 -0.017 0.000 1.097 533 K HN 0.365 nan 8.250 nan 0.000 0.522 534 L N 0.135 121.313 121.223 -0.076 0.000 2.422 534 L HA 0.374 4.714 4.340 -0.001 0.000 0.263 534 L C 1.526 178.345 176.870 -0.084 0.000 1.110 534 L CA -0.942 53.844 54.840 -0.090 0.000 1.065 534 L CB 0.387 42.365 42.059 -0.135 0.000 1.701 534 L HN 0.579 nan 8.230 nan 0.000 0.548 535 K N 0.452 120.795 120.400 -0.094 0.000 2.168 535 K HA 0.190 4.510 4.320 -0.001 0.000 0.201 535 K C 0.324 176.867 176.600 -0.095 0.000 1.049 535 K CA 0.390 56.636 56.287 -0.067 0.000 0.974 535 K CB 0.008 32.483 32.500 -0.042 0.000 0.792 535 K HN 0.484 nan 8.250 nan 0.000 0.463 536 L N 3.266 124.368 121.223 -0.201 0.000 2.975 536 L HA -0.160 4.180 4.340 -0.001 0.000 0.628 536 L C -0.233 176.618 176.870 -0.032 0.000 1.006 536 L CA 0.596 55.236 54.840 -0.334 0.000 1.321 536 L CB -1.718 40.139 42.059 -0.338 0.000 1.705 536 L HN 0.625 nan 8.230 nan 0.000 0.822 537 T N 0.488 115.089 114.554 0.077 0.000 2.948 537 T HA 0.773 5.122 4.350 -0.001 0.000 0.285 537 T C -2.420 172.428 174.700 0.245 0.000 1.019 537 T CA -2.169 60.018 62.100 0.144 0.000 1.013 537 T CB 2.046 70.970 68.868 0.093 0.000 1.117 537 T HN 0.209 nan 8.240 nan 0.000 0.533 538 P HA 0.190 nan 4.420 nan 0.000 0.264 538 P C -0.590 176.756 177.300 0.076 0.000 1.183 538 P CA -0.004 63.169 63.100 0.122 0.000 0.763 538 P CB 0.147 31.891 31.700 0.074 0.000 0.807 539 I N 5.982 126.552 120.570 0.001 0.000 2.325 539 I HA 0.126 4.296 4.170 -0.001 0.000 0.291 539 I C -1.272 174.817 176.117 -0.047 0.000 1.019 539 I CA -2.051 59.200 61.300 -0.082 0.000 1.302 539 I CB 1.367 39.228 38.000 -0.232 0.000 1.401 539 I HN 0.305 nan 8.210 nan 0.000 0.485 540 P HA -0.249 nan 4.420 nan 0.000 0.216 540 P C 1.434 178.713 177.300 -0.035 0.000 1.157 540 P CA 1.409 64.495 63.100 -0.023 0.000 0.880 540 P CB 0.258 31.949 31.700 -0.016 0.000 0.791 541 A N -0.444 122.347 122.820 -0.047 0.000 2.019 541 A HA -0.086 4.233 4.320 -0.001 0.000 0.219 541 A C 2.267 179.814 177.584 -0.060 0.000 1.164 541 A CA 1.789 53.796 52.037 -0.050 0.000 0.644 541 A CB -1.499 17.470 19.000 -0.051 0.000 0.805 541 A HN 0.194 nan 8.150 nan 0.000 0.449 542 A N 0.655 123.436 122.820 -0.066 0.000 1.873 542 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 542 A C 2.483 180.025 177.584 -0.070 0.000 1.193 542 A CA 2.551 54.546 52.037 -0.069 0.000 0.629 542 A CB -1.095 17.875 19.000 -0.050 0.000 0.826 542 A HN 1.118 nan 8.150 nan 0.000 0.447 543 S N -1.171 114.498 115.700 -0.051 0.000 2.515 543 S HA -0.109 4.360 4.470 -0.001 0.000 0.231 543 S C 1.786 176.355 174.600 -0.052 0.000 0.987 543 S CA 1.139 59.311 58.200 -0.047 0.000 0.936 543 S CB -0.203 62.979 63.200 -0.029 0.000 0.766 543 S HN 0.691 nan 8.310 nan 0.000 0.528 544 Q N 0.205 119.973 119.800 -0.053 0.000 2.354 544 Q HA 0.271 4.610 4.340 -0.001 0.000 0.203 544 Q C 0.140 176.101 176.000 -0.065 0.000 0.933 544 Q CA -0.056 55.717 55.803 -0.049 0.000 0.901 544 Q CB -0.031 28.684 28.738 -0.039 0.000 1.007 544 Q HN 0.572 nan 8.270 nan 0.000 0.495 545 L N 1.998 123.167 121.223 -0.091 0.000 2.490 545 L HA -0.002 4.337 4.340 -0.001 0.000 0.274 545 L C 0.239 177.022 176.870 -0.144 0.000 1.201 545 L CA 0.059 54.823 54.840 -0.128 0.000 0.869 545 L CB 0.344 42.291 42.059 -0.186 0.000 1.123 545 L HN 0.099 nan 8.230 nan 0.000 0.484 546 D N 4.192 124.511 120.400 -0.135 0.000 2.557 546 D HA 0.136 4.776 4.640 -0.001 0.000 0.236 546 D C -0.078 176.107 176.300 -0.193 0.000 1.154 546 D CA -0.438 53.491 54.000 -0.117 0.000 0.985 546 D CB 0.710 41.479 40.800 -0.053 0.000 1.010 546 D HN 0.225 nan 8.370 nan 0.000 0.516 547 L N 2.725 123.754 121.223 -0.323 0.000 2.939 547 L HA 0.091 4.430 4.340 -0.001 0.000 0.239 547 L C 0.734 177.465 176.870 -0.233 0.000 1.325 547 L CA -0.093 54.391 54.840 -0.593 0.000 1.170 547 L CB -0.724 40.887 42.059 -0.746 0.000 1.538 547 L HN 0.178 nan 8.230 nan 0.000 0.452 548 S N -1.652 114.016 115.700 -0.053 0.000 2.499 548 S HA 0.655 5.124 4.470 -0.001 0.000 0.279 548 S C 1.193 175.854 174.600 0.102 0.000 1.219 548 S CA -0.034 58.182 58.200 0.026 0.000 1.062 548 S CB 1.571 64.772 63.200 0.001 0.000 0.978 548 S HN 0.601 nan 8.310 nan 0.000 0.489 549 G N 2.149 111.009 108.800 0.100 0.000 2.176 549 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.253 549 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.253 549 G C 0.467 175.483 174.900 0.193 0.000 0.979 549 G CA 0.244 45.382 45.100 0.064 0.000 0.641 549 G HN 0.700 nan 8.290 nan 0.000 0.530 550 W N -0.017 121.189 121.300 -0.156 0.000 2.381 550 W HA 0.438 5.098 4.660 -0.001 0.000 0.301 550 W C 1.049 177.190 176.519 -0.630 0.000 1.205 550 W CA 1.363 58.401 57.345 -0.511 0.000 1.285 550 W CB -0.187 28.714 29.460 -0.931 0.000 1.133 550 W HN 0.207 nan 8.180 nan 0.000 0.521 551 F N -0.714 119.438 119.950 0.337 0.000 2.622 551 F HA 0.322 4.848 4.527 -0.001 0.000 0.338 551 F C 0.381 176.326 175.800 0.242 0.000 1.334 551 F CA -0.710 57.483 58.000 0.321 0.000 1.179 551 F CB -0.065 39.086 39.000 0.253 0.000 1.471 551 F HN -0.394 nan 8.300 nan 0.000 0.576 552 V N -0.050 120.087 119.914 0.371 0.000 2.996 552 V HA 0.658 4.777 4.120 -0.001 0.000 0.235 552 V C 0.822 177.068 176.094 0.253 0.000 1.205 552 V CA 0.621 63.074 62.300 0.254 0.000 1.225 552 V CB 0.577 32.525 31.823 0.209 0.000 0.995 552 V HN 0.447 nan 8.190 nan 0.000 0.484 553 A N -0.625 122.312 122.820 0.195 0.000 2.602 553 A HA 0.799 5.118 4.320 -0.001 0.000 0.290 553 A C -0.320 176.959 177.584 -0.509 0.000 1.114 553 A CA 0.076 52.087 52.037 -0.043 0.000 0.683 553 A CB 1.073 19.905 19.000 -0.281 0.000 1.281 553 A HN 0.407 nan 8.150 nan 0.000 0.416 554 G N -1.381 106.854 108.800 -0.942 0.000 2.389 554 G HA2 0.549 4.509 3.960 -0.001 0.000 0.317 554 G HA3 0.549 4.509 3.960 -0.001 0.000 0.317 554 G C -0.968 173.288 174.900 -1.073 0.000 1.137 554 G CA -0.113 44.084 45.100 -1.505 0.000 0.870 554 G HN 0.597 nan 8.290 nan 0.000 0.496 555 Y N 0.712 120.801 120.300 -0.351 0.000 2.742 555 Y HA 0.298 4.848 4.550 -0.001 0.000 0.248 555 Y C 1.294 177.108 175.900 -0.145 0.000 1.132 555 Y CA -0.828 57.160 58.100 -0.186 0.000 1.142 555 Y CB 0.537 38.908 38.460 -0.147 0.000 1.222 555 Y HN 0.499 nan 8.280 nan 0.000 0.575 556 S N 0.981 116.640 115.700 -0.068 0.000 2.596 556 S HA 0.278 4.748 4.470 -0.001 0.000 0.298 556 S C 1.468 176.082 174.600 0.023 0.000 1.255 556 S CA 1.505 59.698 58.200 -0.012 0.000 1.083 556 S CB -0.158 63.039 63.200 -0.006 0.000 0.837 556 S HN 1.072 nan 8.310 nan 0.000 0.499 557 G N 3.638 112.453 108.800 0.024 0.000 2.189 557 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.267 557 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.267 557 G C 0.829 175.756 174.900 0.044 0.000 0.975 557 G CA 0.441 45.561 45.100 0.034 0.000 0.644 557 G HN 1.323 nan 8.290 nan 0.000 0.537 558 G N -0.167 108.663 108.800 0.051 0.000 2.920 558 G HA2 0.355 4.314 3.960 -0.001 0.000 0.208 558 G HA3 0.355 4.314 3.960 -0.001 0.000 0.208 558 G C 0.524 175.440 174.900 0.027 0.000 1.159 558 G CA 1.112 46.259 45.100 0.077 0.000 0.784 558 G HN 1.260 nan 8.290 nan 0.000 0.535 559 D N -0.471 119.914 120.400 -0.026 0.000 2.697 559 D HA -0.166 4.474 4.640 -0.001 0.000 0.238 559 D C -0.145 176.088 176.300 -0.113 0.000 1.152 559 D CA 0.348 54.308 54.000 -0.067 0.000 0.666 559 D CB -1.172 39.605 40.800 -0.040 0.000 1.037 559 D HN 0.102 nan 8.370 nan 0.000 0.423 560 I N 1.411 121.868 120.570 -0.189 0.000 2.441 560 I HA 0.343 4.512 4.170 -0.001 0.000 0.295 560 I C -0.136 175.743 176.117 -0.398 0.000 0.994 560 I CA -0.780 60.300 61.300 -0.365 0.000 1.144 560 I CB 1.317 38.921 38.000 -0.660 0.000 1.314 560 I HN 0.099 nan 8.210 nan 0.000 0.445 561 Y N 5.463 125.457 120.300 -0.512 0.000 2.331 561 Y HA 0.407 4.956 4.550 -0.001 0.000 0.334 561 Y C 0.134 175.772 175.900 -0.436 0.000 0.960 561 Y CA -0.405 57.422 58.100 -0.454 0.000 1.130 561 Y CB 0.859 39.155 38.460 -0.272 0.000 1.164 561 Y HN 0.450 nan 8.280 nan 0.000 0.458 562 H N 3.162 121.627 119.070 -1.009 0.000 2.490 562 H HA 0.444 5.000 4.556 -0.001 0.000 0.285 562 H C -0.363 174.579 175.328 -0.643 0.000 1.127 562 H CA -0.154 55.417 56.048 -0.795 0.000 0.993 562 H CB 0.287 29.506 29.762 -0.904 0.000 1.653 562 H HN 0.465 nan 8.280 nan 0.000 0.557 563 S N 0.000 115.267 115.700 -0.721 0.000 2.498 563 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 563 S CA 0.000 57.981 58.200 -0.365 0.000 1.107 563 S CB 0.000 62.905 63.200 -0.491 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517