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 2wme_1_F DATA FIRST_RESID 2 DATA SEQUENCE ARFEEQKLYI GGRYVEASSG ATFETINPAN GEVLAKVQRA SREDVERAVQ DATA SEQUENCE SAVEGQKVWA AMTAMQRSRI LRRAVDILRE RNDELAALET LDTGKPLAET DATA SEQUENCE RSVDIVTGAD VLEYYAGLVP AIEGEQIPLR ETSFVYTRRE PLGVVAGIGA DATA SEQUENCE WNYPVQIALW KSAPALAAGN AMIFKPSEVT PLTALKLAEI YTEAGVPDGV DATA SEQUENCE FNVLTGSGRE VGQWLTEHPL IEKISFTGGT STGKKVMASA SSSSLKEVTM DATA SEQUENCE ELGGKSPLII FPDADLDRAA DIAVMANFFS SGQVCTNGTR VFIHRSQQAR DATA SEQUENCE FEAKVLERVQ RIRLGDPQDE NTNFGPLVSF PHMESVLGYI ESGKAQKARL DATA SEQUENCE LCGGERVTDG AFGKGAYVAP TVFTDCRDDM TIVREEIFGP VMSILVYDDE DATA SEQUENCE DEAIRRANDT EYGLAAGVVT QDLARAHRAI HRLEAGICWI NTWGESPAEM DATA SEQUENCE PVGGYKQSGV GRENGLTTLA HYTRIKSVQV ELGDYASVF 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.496 177.584 -0.147 0.000 1.274 2 A CA 0.000 51.982 52.037 -0.091 0.000 0.836 2 A CB 0.000 18.965 19.000 -0.059 0.000 0.831 3 R N 0.287 120.620 120.500 -0.279 0.000 2.081 3 R HA 0.030 4.370 4.340 -0.000 0.000 0.235 3 R C -0.195 175.826 176.300 -0.465 0.000 1.131 3 R CA 1.827 57.628 56.100 -0.497 0.000 0.960 3 R CB -0.137 29.638 30.300 -0.876 0.000 0.856 3 R HN 0.604 nan 8.270 nan 0.000 0.436 4 F N 0.226 120.161 119.950 -0.026 0.000 2.594 4 F HA 0.365 4.892 4.527 -0.000 0.000 0.335 4 F C 0.308 176.082 175.800 -0.044 0.000 1.058 4 F CA -1.383 56.596 58.000 -0.034 0.000 0.981 4 F CB 0.779 39.758 39.000 -0.036 0.000 1.289 4 F HN -0.125 nan 8.300 nan 0.000 0.490 5 E N 0.033 120.333 120.200 0.166 0.000 2.442 5 E HA 0.000 4.350 4.350 -0.000 0.000 0.260 5 E C -0.336 176.278 176.600 0.024 0.000 1.148 5 E CA -0.112 56.318 56.400 0.051 0.000 0.976 5 E CB 0.365 30.067 29.700 0.003 0.000 0.967 5 E HN 0.512 nan 8.360 nan 0.000 0.454 6 E N 1.404 121.595 120.200 -0.015 0.000 2.414 6 E HA -0.106 4.244 4.350 -0.000 0.000 0.263 6 E C -0.643 175.920 176.600 -0.062 0.000 1.000 6 E CA -0.243 56.135 56.400 -0.038 0.000 0.914 6 E CB 0.494 30.172 29.700 -0.037 0.000 0.948 6 E HN 0.199 nan 8.360 nan 0.000 0.444 7 Q N 2.931 122.691 119.800 -0.066 0.000 2.243 7 Q HA 0.270 4.610 4.340 -0.000 0.000 0.252 7 Q C -0.726 175.269 176.000 -0.007 0.000 0.909 7 Q CA -0.234 55.535 55.803 -0.057 0.000 0.922 7 Q CB 1.581 30.304 28.738 -0.025 0.000 1.215 7 Q HN 0.307 nan 8.270 nan 0.000 0.427 8 K N 0.754 121.186 120.400 0.055 0.000 2.258 8 K HA 0.548 4.868 4.320 -0.000 0.000 0.236 8 K C -0.172 176.612 176.600 0.307 0.000 1.008 8 K CA -0.672 55.710 56.287 0.159 0.000 0.869 8 K CB 1.011 33.603 32.500 0.153 0.000 1.171 8 K HN 0.379 nan 8.250 nan 0.000 0.447 9 L N 1.198 122.559 121.223 0.230 0.000 2.452 9 L HA 0.214 4.554 4.340 -0.000 0.000 0.267 9 L C -0.364 176.629 176.870 0.206 0.000 1.188 9 L CA -0.254 54.709 54.840 0.203 0.000 0.821 9 L CB 0.117 42.249 42.059 0.123 0.000 1.102 9 L HN 0.510 nan 8.230 nan 0.000 0.470 10 Y N 3.334 123.631 120.300 -0.005 0.000 2.478 10 Y HA 0.563 5.113 4.550 0.000 0.000 0.329 10 Y C -0.478 175.349 175.900 -0.121 0.000 0.967 10 Y CA -0.392 57.599 58.100 -0.182 0.000 1.255 10 Y CB 0.648 38.927 38.460 -0.302 0.000 1.103 10 Y HN 0.317 nan 8.280 nan 0.000 0.497 11 I N 4.928 125.306 120.570 -0.320 0.000 2.478 11 I HA 0.407 4.577 4.170 -0.000 0.000 0.287 11 I C 0.448 176.415 176.117 -0.249 0.000 1.042 11 I CA -0.806 60.384 61.300 -0.184 0.000 1.067 11 I CB 2.018 39.962 38.000 -0.093 0.000 1.233 11 I HN 0.818 nan 8.210 nan 0.000 0.431 12 G N 4.041 112.745 108.800 -0.160 0.000 2.212 12 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.255 12 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.255 12 G C 0.852 175.651 174.900 -0.169 0.000 1.062 12 G CA 0.310 45.334 45.100 -0.125 0.000 0.815 12 G HN 1.603 nan 8.290 nan 0.000 0.497 13 G N -1.110 107.573 108.800 -0.196 0.000 2.160 13 G HA2 0.021 3.981 3.960 -0.000 0.000 0.251 13 G HA3 0.021 3.981 3.960 -0.000 0.000 0.251 13 G C 0.300 174.988 174.900 -0.354 0.000 1.008 13 G CA 1.470 46.494 45.100 -0.126 0.000 0.724 13 G HN 2.281 nan 8.290 nan 0.000 0.514 14 R N -2.362 117.606 120.500 -0.886 0.000 2.741 14 R HA 0.521 4.861 4.340 -0.000 0.000 0.276 14 R C -1.063 174.721 176.300 -0.859 0.000 1.028 14 R CA -1.221 54.495 56.100 -0.640 0.000 0.865 14 R CB 0.635 30.799 30.300 -0.227 0.000 1.268 14 R HN 0.128 nan 8.270 nan 0.000 0.475 15 Y N 0.533 120.662 120.300 -0.285 0.000 2.346 15 Y HA 0.415 4.965 4.550 -0.000 0.000 0.330 15 Y C 0.745 176.583 175.900 -0.103 0.000 1.178 15 Y CA 0.075 58.099 58.100 -0.127 0.000 1.331 15 Y CB 1.650 40.123 38.460 0.021 0.000 1.253 15 Y HN 0.491 nan 8.280 nan 0.000 0.529 16 V N -0.454 119.509 119.914 0.081 0.000 2.925 16 V HA 0.541 4.661 4.120 -0.000 0.000 0.311 16 V C -0.714 175.421 176.094 0.068 0.000 1.104 16 V CA -1.333 60.989 62.300 0.037 0.000 0.954 16 V CB 2.072 33.885 31.823 -0.016 0.000 1.022 16 V HN 0.589 nan 8.190 nan 0.000 0.427 17 E N 2.465 122.693 120.200 0.047 0.000 2.344 17 E HA 0.492 4.842 4.350 -0.000 0.000 0.270 17 E C 0.576 177.205 176.600 0.048 0.000 1.021 17 E CA 0.320 56.748 56.400 0.046 0.000 0.887 17 E CB 1.577 31.296 29.700 0.031 0.000 0.997 17 E HN 1.113 nan 8.360 nan 0.000 0.429 18 A N 2.525 125.382 122.820 0.061 0.000 2.386 18 A HA 0.159 4.479 4.320 -0.000 0.000 0.246 18 A C 0.775 178.390 177.584 0.052 0.000 1.089 18 A CA 0.144 52.221 52.037 0.067 0.000 0.790 18 A CB 0.274 19.329 19.000 0.091 0.000 1.042 18 A HN 0.614 nan 8.150 nan 0.000 0.497 19 S N -1.042 114.689 115.700 0.051 0.000 2.741 19 S HA 0.170 4.640 4.470 -0.000 0.000 0.247 19 S C 0.802 175.429 174.600 0.046 0.000 1.050 19 S CA 0.310 58.533 58.200 0.037 0.000 1.025 19 S CB -0.230 62.982 63.200 0.019 0.000 0.897 19 S HN 1.128 nan 8.310 nan 0.000 0.508 20 S N 0.721 116.463 115.700 0.071 0.000 2.478 20 S HA 0.412 4.882 4.470 -0.000 0.000 0.222 20 S C 1.807 176.450 174.600 0.072 0.000 1.008 20 S CA 0.523 58.774 58.200 0.086 0.000 0.928 20 S CB -0.731 62.547 63.200 0.131 0.000 0.781 20 S HN 1.541 nan 8.310 nan 0.000 0.518 21 G N 0.961 109.797 108.800 0.061 0.000 2.155 21 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.257 21 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.257 21 G C 0.095 175.030 174.900 0.058 0.000 0.983 21 G CA 0.170 45.300 45.100 0.051 0.000 0.676 21 G HN 1.411 nan 8.290 nan 0.000 0.528 22 A N -0.797 122.069 122.820 0.076 0.000 2.435 22 A HA 1.018 5.338 4.320 -0.000 0.000 0.304 22 A C 0.053 177.698 177.584 0.101 0.000 1.064 22 A CA 0.567 52.657 52.037 0.090 0.000 0.727 22 A CB 1.704 20.770 19.000 0.110 0.000 1.284 22 A HN 1.763 nan 8.150 nan 0.000 0.415 23 T N -1.124 113.485 114.554 0.093 0.000 2.916 23 T HA 0.843 5.193 4.350 -0.000 0.000 0.292 23 T C -0.423 174.373 174.700 0.160 0.000 1.064 23 T CA -0.555 61.579 62.100 0.057 0.000 1.011 23 T CB 1.205 70.056 68.868 -0.028 0.000 1.152 23 T HN 1.356 nan 8.240 nan 0.000 0.510 24 F N -0.929 119.046 119.950 0.043 0.000 2.618 24 F HA 0.875 5.402 4.527 -0.000 0.000 0.332 24 F C -0.403 175.420 175.800 0.038 0.000 1.061 24 F CA -1.342 56.680 58.000 0.037 0.000 0.974 24 F CB 1.154 40.176 39.000 0.036 0.000 1.310 24 F HN 0.580 nan 8.300 nan 0.000 0.491 25 E N 0.383 120.702 120.200 0.199 0.000 2.204 25 E HA 0.338 4.688 4.350 -0.000 0.000 0.276 25 E C -1.063 175.643 176.600 0.177 0.000 0.974 25 E CA -0.968 55.482 56.400 0.084 0.000 0.815 25 E CB 1.946 31.689 29.700 0.071 0.000 1.119 25 E HN 0.689 nan 8.360 nan 0.000 0.393 26 T N 3.262 117.870 114.554 0.090 0.000 2.794 26 T HA 0.421 4.771 4.350 -0.000 0.000 0.280 26 T C -0.595 174.155 174.700 0.084 0.000 0.987 26 T CA -0.749 61.432 62.100 0.134 0.000 0.993 26 T CB 0.272 69.234 68.868 0.155 0.000 0.939 26 T HN 0.221 nan 8.240 nan 0.000 0.449 27 I N 4.997 125.619 120.570 0.087 0.000 2.441 27 I HA 0.367 4.537 4.170 -0.000 0.000 0.295 27 I C 0.440 176.590 176.117 0.055 0.000 0.994 27 I CA -1.174 60.172 61.300 0.076 0.000 1.144 27 I CB 1.408 39.480 38.000 0.121 0.000 1.314 27 I HN 0.646 nan 8.210 nan 0.000 0.445 28 N N 8.845 127.570 118.700 0.041 0.000 2.442 28 N HA 0.168 4.908 4.740 -0.000 0.000 0.265 28 N C -1.735 173.780 175.510 0.009 0.000 1.138 28 N CA -1.613 51.445 53.050 0.013 0.000 0.956 28 N CB 1.376 39.865 38.487 0.005 0.000 1.067 28 N HN 0.313 nan 8.380 nan 0.000 0.474 29 P HA -0.011 nan 4.420 nan 0.000 0.233 29 P C 0.593 177.724 177.300 -0.283 0.000 1.167 29 P CA 0.533 63.474 63.100 -0.265 0.000 0.770 29 P CB 0.254 31.734 31.700 -0.367 0.000 0.837 30 A N 1.373 124.106 122.820 -0.144 0.000 1.970 30 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 30 A C 1.707 179.361 177.584 0.116 0.000 1.170 30 A CA 1.732 53.739 52.037 -0.049 0.000 0.645 30 A CB -0.794 18.215 19.000 0.016 0.000 0.816 30 A HN 0.376 nan 8.150 nan 0.000 0.447 31 N N -4.062 114.703 118.700 0.108 0.000 2.067 31 N HA 0.225 4.965 4.740 -0.000 0.000 0.227 31 N C 0.837 176.443 175.510 0.160 0.000 1.348 31 N CA 1.048 54.179 53.050 0.135 0.000 0.879 31 N CB -0.245 38.283 38.487 0.069 0.000 1.109 31 N HN 0.760 nan 8.380 nan 0.000 0.501 32 G N 0.944 109.875 108.800 0.218 0.000 2.162 32 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.260 32 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.260 32 G C -0.242 174.702 174.900 0.073 0.000 0.976 32 G CA 0.502 45.724 45.100 0.203 0.000 0.655 32 G HN 0.904 nan 8.290 nan 0.000 0.533 33 E N 0.155 120.380 120.200 0.041 0.000 2.373 33 E HA 0.439 4.789 4.350 -0.000 0.000 0.267 33 E C 0.195 176.786 176.600 -0.015 0.000 1.032 33 E CA -0.680 55.714 56.400 -0.010 0.000 0.889 33 E CB 1.424 31.098 29.700 -0.044 0.000 0.984 33 E HN 0.202 nan 8.360 nan 0.000 0.425 34 V N 5.500 125.394 119.914 -0.033 0.000 2.421 34 V HA -0.052 4.068 4.120 -0.000 0.000 0.271 34 V C 1.333 177.378 176.094 -0.081 0.000 1.031 34 V CA 0.115 62.395 62.300 -0.033 0.000 1.032 34 V CB 0.086 31.890 31.823 -0.031 0.000 1.009 34 V HN 0.765 nan 8.190 nan 0.000 0.477 35 L N 4.034 125.219 121.223 -0.064 0.000 2.109 35 L HA 0.249 4.589 4.340 -0.000 0.000 0.207 35 L C 1.006 177.834 176.870 -0.069 0.000 1.086 35 L CA 1.389 56.155 54.840 -0.123 0.000 0.760 35 L CB -0.027 42.035 42.059 0.006 0.000 0.910 35 L HN 0.813 nan 8.230 nan 0.000 0.437 36 A N -1.146 121.675 122.820 0.002 0.000 2.590 36 A HA 0.459 4.779 4.320 -0.000 0.000 0.296 36 A C -1.303 176.251 177.584 -0.049 0.000 1.050 36 A CA -0.857 51.192 52.037 0.021 0.000 0.697 36 A CB 1.047 20.114 19.000 0.111 0.000 1.277 36 A HN -0.189 nan 8.150 nan 0.000 0.411 37 K N 0.993 121.351 120.400 -0.069 0.000 2.205 37 K HA 0.576 4.896 4.320 -0.000 0.000 0.279 37 K C -0.693 175.777 176.600 -0.217 0.000 1.027 37 K CA -0.255 55.954 56.287 -0.130 0.000 0.932 37 K CB 1.543 33.997 32.500 -0.075 0.000 1.032 37 K HN 0.520 nan 8.250 nan 0.000 0.466 38 V N 3.232 122.878 119.914 -0.447 0.000 2.487 38 V HA 0.205 4.325 4.120 -0.000 0.000 0.298 38 V C 0.110 175.952 176.094 -0.419 0.000 1.028 38 V CA -1.070 60.889 62.300 -0.568 0.000 0.860 38 V CB 1.705 32.897 31.823 -1.051 0.000 0.991 38 V HN 0.624 nan 8.190 nan 0.000 0.427 39 Q N 3.377 123.100 119.800 -0.129 0.000 2.337 39 Q HA 0.289 4.629 4.340 -0.000 0.000 0.270 39 Q C -0.266 175.832 176.000 0.163 0.000 1.002 39 Q CA 0.082 55.902 55.803 0.028 0.000 0.888 39 Q CB 1.078 29.852 28.738 0.060 0.000 1.222 39 Q HN 0.534 nan 8.270 nan 0.000 0.400 40 R N 1.084 121.718 120.500 0.223 0.000 2.254 40 R HA 0.403 4.743 4.340 -0.000 0.000 0.318 40 R C -0.435 176.000 176.300 0.224 0.000 1.031 40 R CA -0.399 55.873 56.100 0.287 0.000 0.905 40 R CB 1.029 31.488 30.300 0.264 0.000 1.050 40 R HN 0.582 nan 8.270 nan 0.000 0.456 41 A N 2.625 125.585 122.820 0.233 0.000 2.425 41 A HA 0.190 4.510 4.320 -0.000 0.000 0.249 41 A C 0.350 178.123 177.584 0.315 0.000 1.084 41 A CA -0.084 52.087 52.037 0.224 0.000 0.781 41 A CB 0.847 19.970 19.000 0.203 0.000 1.019 41 A HN 0.663 nan 8.150 nan 0.000 0.490 42 S N -0.558 115.268 115.700 0.210 0.000 2.661 42 S HA 0.275 4.745 4.470 -0.000 0.000 0.265 42 S C 1.562 176.123 174.600 -0.066 0.000 1.225 42 S CA -0.414 57.856 58.200 0.116 0.000 0.986 42 S CB 0.692 63.902 63.200 0.016 0.000 1.008 42 S HN 0.752 nan 8.310 nan 0.000 0.565 43 R N 0.320 120.509 120.500 -0.518 0.000 2.153 43 R HA -0.019 4.321 4.340 -0.000 0.000 0.218 43 R C 1.940 178.070 176.300 -0.284 0.000 1.072 43 R CA 1.427 57.105 56.100 -0.703 0.000 0.990 43 R CB -0.158 29.486 30.300 -1.093 0.000 0.889 43 R HN 0.791 nan 8.270 nan 0.000 0.452 44 E N 0.028 120.118 120.200 -0.183 0.000 2.110 44 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 44 E C 0.897 177.471 176.600 -0.043 0.000 0.988 44 E CA 1.183 57.530 56.400 -0.089 0.000 0.804 44 E CB -0.113 29.550 29.700 -0.062 0.000 0.745 44 E HN 0.323 nan 8.360 nan 0.000 0.458 45 D N 1.159 121.547 120.400 -0.020 0.000 2.149 45 D HA -0.080 4.560 4.640 -0.000 0.000 0.201 45 D C 2.239 178.555 176.300 0.027 0.000 0.972 45 D CA 0.795 54.807 54.000 0.019 0.000 0.835 45 D CB -0.117 40.719 40.800 0.059 0.000 0.966 45 D HN 0.085 nan 8.370 nan 0.000 0.476 46 V N 1.171 121.111 119.914 0.043 0.000 2.287 46 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 46 V C 2.496 178.581 176.094 -0.016 0.000 1.053 46 V CA 1.780 64.111 62.300 0.052 0.000 1.027 46 V CB -0.497 31.414 31.823 0.146 0.000 0.646 46 V HN 0.086 nan 8.190 nan 0.000 0.447 47 E N 0.567 120.767 120.200 0.001 0.000 2.085 47 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 47 E C 2.352 178.936 176.600 -0.026 0.000 0.994 47 E CA 1.801 58.207 56.400 0.010 0.000 0.801 47 E CB -0.367 29.356 29.700 0.037 0.000 0.743 47 E HN 0.468 nan 8.360 nan 0.000 0.453 48 R N -0.378 120.110 120.500 -0.020 0.000 2.083 48 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 48 R C 2.192 178.471 176.300 -0.034 0.000 1.137 48 R CA 1.545 57.632 56.100 -0.022 0.000 0.951 48 R CB -0.429 29.862 30.300 -0.015 0.000 0.851 48 R HN 0.245 nan 8.270 nan 0.000 0.434 49 A N 0.246 123.044 122.820 -0.037 0.000 1.902 49 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 49 A C 2.286 179.826 177.584 -0.072 0.000 1.181 49 A CA 1.558 53.567 52.037 -0.047 0.000 0.623 49 A CB -0.558 18.422 19.000 -0.033 0.000 0.818 49 A HN 0.236 nan 8.150 nan 0.000 0.443 50 V N 0.073 119.915 119.914 -0.120 0.000 2.261 50 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 50 V C 2.761 178.802 176.094 -0.089 0.000 1.047 50 V CA 2.100 64.298 62.300 -0.170 0.000 1.015 50 V CB -0.774 30.791 31.823 -0.429 0.000 0.642 50 V HN 0.540 nan 8.190 nan 0.000 0.446 51 Q N -0.153 119.611 119.800 -0.060 0.000 2.135 51 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 51 Q C 2.596 178.584 176.000 -0.019 0.000 0.981 51 Q CA 2.127 57.916 55.803 -0.023 0.000 0.856 51 Q CB -0.842 27.891 28.738 -0.009 0.000 0.902 51 Q HN 0.693 nan 8.270 nan 0.000 0.425 52 S N 0.234 115.917 115.700 -0.028 0.000 2.383 52 S HA -0.059 4.411 4.470 -0.000 0.000 0.227 52 S C 2.011 176.598 174.600 -0.020 0.000 1.026 52 S CA 1.082 59.267 58.200 -0.025 0.000 0.981 52 S CB -0.059 63.119 63.200 -0.036 0.000 0.818 52 S HN 0.368 nan 8.310 nan 0.000 0.472 53 A N 1.062 123.865 122.820 -0.028 0.000 1.902 53 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 53 A C 2.390 179.975 177.584 0.003 0.000 1.181 53 A CA 1.736 53.762 52.037 -0.018 0.000 0.623 53 A CB -1.166 17.817 19.000 -0.028 0.000 0.818 53 A HN 0.469 nan 8.150 nan 0.000 0.443 54 V N 0.343 120.259 119.914 0.003 0.000 2.287 54 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 54 V C 2.627 178.739 176.094 0.029 0.000 1.053 54 V CA 2.267 64.579 62.300 0.021 0.000 1.027 54 V CB -0.672 31.161 31.823 0.018 0.000 0.646 54 V HN 0.526 nan 8.190 nan 0.000 0.447 55 E N 0.428 120.641 120.200 0.021 0.000 2.072 55 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 55 E C 2.321 178.945 176.600 0.039 0.000 0.985 55 E CA 1.424 57.840 56.400 0.027 0.000 0.801 55 E CB -0.788 28.922 29.700 0.017 0.000 0.750 55 E HN 0.605 nan 8.360 nan 0.000 0.452 56 G N 1.265 110.084 108.800 0.032 0.000 2.394 56 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.215 56 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.215 56 G C 1.490 176.441 174.900 0.085 0.000 1.165 56 G CA 0.481 45.605 45.100 0.041 0.000 0.784 56 G HN 0.170 nan 8.290 nan 0.000 0.535 57 Q N 0.784 120.633 119.800 0.080 0.000 2.133 57 Q HA -0.192 4.148 4.340 -0.000 0.000 0.208 57 Q C 2.431 178.528 176.000 0.162 0.000 0.991 57 Q CA 1.801 57.689 55.803 0.141 0.000 0.867 57 Q CB -0.226 28.576 28.738 0.107 0.000 0.911 57 Q HN 0.503 nan 8.270 nan 0.000 0.417 58 K N -0.637 119.826 120.400 0.106 0.000 2.026 58 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 58 K C 2.212 178.868 176.600 0.094 0.000 1.048 58 K CA 1.561 57.899 56.287 0.085 0.000 0.929 58 K CB -0.111 32.424 32.500 0.058 0.000 0.713 58 K HN 0.048 nan 8.250 nan 0.000 0.439 59 V N 0.821 120.802 119.914 0.112 0.000 2.343 59 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 59 V C 1.966 178.167 176.094 0.178 0.000 1.051 59 V CA 1.556 63.927 62.300 0.119 0.000 1.036 59 V CB -0.558 31.333 31.823 0.113 0.000 0.654 59 V HN 0.540 nan 8.190 nan 0.000 0.451 60 W N 0.881 122.179 121.300 -0.002 0.000 2.355 60 W HA -0.194 4.465 4.660 -0.000 0.000 0.309 60 W C 2.386 178.899 176.519 -0.009 0.000 1.206 60 W CA 1.574 58.914 57.345 -0.010 0.000 1.284 60 W CB -0.085 29.364 29.460 -0.018 0.000 1.145 60 W HN 0.287 nan 8.180 nan 0.000 0.502 61 A N 0.581 123.433 122.820 0.053 0.000 2.067 61 A HA 0.028 4.348 4.320 -0.000 0.000 0.219 61 A C 1.968 179.503 177.584 -0.082 0.000 1.158 61 A CA 1.720 53.712 52.037 -0.075 0.000 0.661 61 A CB -1.034 17.977 19.000 0.018 0.000 0.801 61 A HN 0.298 nan 8.150 nan 0.000 0.452 62 A N -0.909 121.892 122.820 -0.032 0.000 2.167 62 A HA 0.290 4.610 4.320 -0.000 0.000 0.214 62 A C 1.252 178.798 177.584 -0.064 0.000 1.151 62 A CA 0.195 52.212 52.037 -0.033 0.000 0.735 62 A CB -0.407 18.594 19.000 0.001 0.000 0.802 62 A HN 0.552 nan 8.150 nan 0.000 0.467 63 M N 0.575 120.109 119.600 -0.111 0.000 2.207 63 M HA 0.152 4.632 4.480 -0.000 0.000 0.311 63 M C 1.157 177.360 176.300 -0.161 0.000 1.127 63 M CA 0.109 55.327 55.300 -0.138 0.000 1.181 63 M CB 0.508 32.979 32.600 -0.216 0.000 1.409 63 M HN 0.434 nan 8.290 nan 0.000 0.461 64 T N -0.843 113.632 114.554 -0.132 0.000 2.813 64 T HA 0.328 4.678 4.350 -0.000 0.000 0.297 64 T C 1.074 175.669 174.700 -0.174 0.000 1.036 64 T CA -0.324 61.701 62.100 -0.125 0.000 1.044 64 T CB 0.873 69.690 68.868 -0.086 0.000 0.993 64 T HN 0.687 nan 8.240 nan 0.000 0.535 65 A N 1.498 124.231 122.820 -0.146 0.000 1.883 65 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 65 A C 2.265 179.765 177.584 -0.139 0.000 1.186 65 A CA 2.067 54.011 52.037 -0.154 0.000 0.624 65 A CB -0.964 17.973 19.000 -0.104 0.000 0.822 65 A HN 0.826 nan 8.150 nan 0.000 0.444 66 M N -0.398 119.142 119.600 -0.100 0.000 2.254 66 M HA -0.066 4.414 4.480 -0.000 0.000 0.265 66 M C 2.038 178.294 176.300 -0.073 0.000 1.066 66 M CA 1.439 56.696 55.300 -0.072 0.000 1.123 66 M CB -0.658 31.913 32.600 -0.050 0.000 1.388 66 M HN 0.539 nan 8.290 nan 0.000 0.425 67 Q N -0.647 119.096 119.800 -0.094 0.000 2.050 67 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 67 Q C 2.150 178.079 176.000 -0.119 0.000 0.980 67 Q CA 1.777 57.529 55.803 -0.085 0.000 0.840 67 Q CB -0.177 28.507 28.738 -0.091 0.000 0.898 67 Q HN 0.512 nan 8.270 nan 0.000 0.424 68 R N -0.125 120.204 120.500 -0.286 0.000 2.081 68 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 68 R C 2.584 178.840 176.300 -0.074 0.000 1.131 68 R CA 1.370 57.220 56.100 -0.417 0.000 0.960 68 R CB -0.538 29.248 30.300 -0.857 0.000 0.856 68 R HN 0.135 nan 8.270 nan 0.000 0.436 69 S N 0.774 116.433 115.700 -0.069 0.000 2.359 69 S HA -0.201 4.269 4.470 -0.000 0.000 0.223 69 S C 1.958 176.581 174.600 0.039 0.000 1.039 69 S CA 1.469 59.669 58.200 -0.000 0.000 1.042 69 S CB -0.056 63.130 63.200 -0.023 0.000 0.915 69 S HN 0.274 nan 8.310 nan 0.000 0.439 70 R N 0.240 120.755 120.500 0.025 0.000 2.103 70 R HA -0.054 4.286 4.340 -0.000 0.000 0.242 70 R C 2.359 178.708 176.300 0.081 0.000 1.142 70 R CA 1.930 58.056 56.100 0.043 0.000 0.960 70 R CB -0.579 29.738 30.300 0.027 0.000 0.858 70 R HN 0.482 nan 8.270 nan 0.000 0.439 71 I N 0.792 121.435 120.570 0.123 0.000 2.179 71 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 71 I C 2.204 178.436 176.117 0.192 0.000 1.088 71 I CA 1.330 62.740 61.300 0.184 0.000 1.357 71 I CB -0.252 37.936 38.000 0.313 0.000 1.051 71 I HN 0.153 nan 8.210 nan 0.000 0.409 72 L N -0.044 121.312 121.223 0.222 0.000 2.083 72 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 72 L C 2.703 179.657 176.870 0.141 0.000 1.083 72 L CA 1.354 56.313 54.840 0.198 0.000 0.752 72 L CB -0.640 41.542 42.059 0.204 0.000 0.899 72 L HN 0.176 nan 8.230 nan 0.000 0.433 73 R N -0.179 120.384 120.500 0.105 0.000 2.096 73 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 73 R C 2.428 178.767 176.300 0.064 0.000 1.127 73 R CA 1.167 57.311 56.100 0.073 0.000 0.968 73 R CB -0.225 30.107 30.300 0.053 0.000 0.861 73 R HN 0.103 nan 8.270 nan 0.000 0.440 74 R N 0.817 121.360 120.500 0.071 0.000 2.096 74 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 74 R C 1.860 178.191 176.300 0.052 0.000 1.127 74 R CA 1.826 57.962 56.100 0.058 0.000 0.968 74 R CB -0.596 29.742 30.300 0.065 0.000 0.861 74 R HN 0.239 nan 8.270 nan 0.000 0.440 75 A N -0.263 122.602 122.820 0.075 0.000 1.933 75 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 75 A C 2.306 179.888 177.584 -0.003 0.000 1.175 75 A CA 1.611 53.673 52.037 0.041 0.000 0.628 75 A CB -0.670 18.408 19.000 0.130 0.000 0.814 75 A HN 0.178 nan 8.150 nan 0.000 0.444 76 V N 0.823 120.756 119.914 0.031 0.000 2.255 76 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 76 V C 2.253 178.351 176.094 0.008 0.000 1.051 76 V CA 2.435 64.746 62.300 0.020 0.000 1.018 76 V CB -0.906 30.943 31.823 0.043 0.000 0.641 76 V HN 0.515 nan 8.190 nan 0.000 0.445 77 D N 0.086 120.495 120.400 0.015 0.000 2.106 77 D HA -0.176 4.464 4.640 -0.000 0.000 0.191 77 D C 2.034 178.334 176.300 -0.001 0.000 0.997 77 D CA 1.678 55.685 54.000 0.011 0.000 0.834 77 D CB -0.371 40.440 40.800 0.018 0.000 0.956 77 D HN 0.430 nan 8.370 nan 0.000 0.448 78 I N 0.446 121.011 120.570 -0.008 0.000 2.208 78 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 78 I C 2.449 178.542 176.117 -0.040 0.000 1.097 78 I CA 0.750 62.036 61.300 -0.024 0.000 1.363 78 I CB -0.244 37.737 38.000 -0.032 0.000 1.051 78 I HN -0.018 nan 8.210 nan 0.000 0.413 79 L N 0.018 121.207 121.223 -0.056 0.000 2.131 79 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 79 L C 2.775 179.627 176.870 -0.031 0.000 1.092 79 L CA 1.003 55.806 54.840 -0.063 0.000 0.759 79 L CB -0.529 41.480 42.059 -0.082 0.000 0.903 79 L HN 0.200 nan 8.230 nan 0.000 0.435 80 R N 0.530 121.021 120.500 -0.014 0.000 2.066 80 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 80 R C 2.070 178.368 176.300 -0.004 0.000 1.131 80 R CA 1.683 57.782 56.100 -0.002 0.000 0.955 80 R CB -0.776 29.527 30.300 0.006 0.000 0.851 80 R HN 0.630 nan 8.270 nan 0.000 0.432 81 E N 0.516 120.712 120.200 -0.007 0.000 2.150 81 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 81 E C 1.233 177.827 176.600 -0.010 0.000 0.985 81 E CA 0.918 57.315 56.400 -0.005 0.000 0.814 81 E CB -0.137 29.561 29.700 -0.003 0.000 0.752 81 E HN 0.200 nan 8.360 nan 0.000 0.466 82 R N 0.708 121.197 120.500 -0.019 0.000 2.388 82 R HA 0.142 4.482 4.340 -0.000 0.000 0.247 82 R C 1.861 178.146 176.300 -0.025 0.000 0.931 82 R CA 0.049 56.134 56.100 -0.025 0.000 1.082 82 R CB -0.217 30.060 30.300 -0.038 0.000 1.135 82 R HN 0.290 nan 8.270 nan 0.000 0.525 83 N N 1.884 120.574 118.700 -0.017 0.000 2.049 83 N HA -0.245 4.495 4.740 -0.000 0.000 0.198 83 N C 0.528 176.032 175.510 -0.009 0.000 1.030 83 N CA 2.058 55.101 53.050 -0.011 0.000 0.870 83 N CB 0.119 38.607 38.487 0.001 0.000 1.045 83 N HN 0.151 nan 8.380 nan 0.000 0.434 84 D N 0.400 120.797 120.400 -0.005 0.000 2.117 84 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 84 D C 1.833 178.129 176.300 -0.006 0.000 0.982 84 D CA 0.713 54.712 54.000 -0.002 0.000 0.828 84 D CB -0.446 40.356 40.800 0.003 0.000 0.967 84 D HN 0.554 nan 8.370 nan 0.000 0.464 85 E N 0.554 120.746 120.200 -0.012 0.000 2.077 85 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 85 E C 2.156 178.740 176.600 -0.027 0.000 0.989 85 E CA 0.597 56.986 56.400 -0.018 0.000 0.800 85 E CB -0.114 29.572 29.700 -0.023 0.000 0.746 85 E HN 0.236 nan 8.360 nan 0.000 0.452 86 L N 0.656 121.859 121.223 -0.033 0.000 2.056 86 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 86 L C 2.799 179.651 176.870 -0.031 0.000 1.078 86 L CA 1.019 55.834 54.840 -0.041 0.000 0.749 86 L CB -0.501 41.526 42.059 -0.054 0.000 0.901 86 L HN 0.185 nan 8.230 nan 0.000 0.433 87 A N 0.270 123.077 122.820 -0.023 0.000 1.917 87 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 87 A C 2.537 180.112 177.584 -0.015 0.000 1.182 87 A CA 2.049 54.075 52.037 -0.019 0.000 0.633 87 A CB -0.806 18.188 19.000 -0.009 0.000 0.819 87 A HN 0.415 nan 8.150 nan 0.000 0.448 88 A N -0.811 122.006 122.820 -0.006 0.000 1.902 88 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 88 A C 2.146 179.742 177.584 0.021 0.000 1.181 88 A CA 1.729 53.771 52.037 0.009 0.000 0.623 88 A CB -0.568 18.442 19.000 0.017 0.000 0.818 88 A HN 0.704 nan 8.150 nan 0.000 0.443 89 L N -0.220 121.009 121.223 0.011 0.000 2.056 89 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 89 L C 2.217 179.101 176.870 0.023 0.000 1.078 89 L CA 2.648 57.501 54.840 0.022 0.000 0.749 89 L CB -0.643 41.397 42.059 -0.031 0.000 0.901 89 L HN 0.452 nan 8.230 nan 0.000 0.433 90 E N -0.929 119.268 120.200 -0.005 0.000 2.085 90 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 90 E C 2.036 178.616 176.600 -0.035 0.000 0.994 90 E CA 1.961 58.349 56.400 -0.021 0.000 0.801 90 E CB -0.339 29.334 29.700 -0.046 0.000 0.743 90 E HN 0.518 nan 8.360 nan 0.000 0.453 91 T N 0.627 115.161 114.554 -0.033 0.000 2.708 91 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 91 T C 1.790 176.476 174.700 -0.024 0.000 1.037 91 T CA 1.289 63.363 62.100 -0.043 0.000 1.146 91 T CB -0.304 68.546 68.868 -0.031 0.000 0.865 91 T HN 0.133 nan 8.240 nan 0.000 0.435 92 L N 0.789 122.022 121.223 0.017 0.000 2.021 92 L HA -0.195 4.145 4.340 -0.000 0.000 0.215 92 L C 2.512 179.399 176.870 0.029 0.000 1.074 92 L CA 1.567 56.432 54.840 0.041 0.000 0.760 92 L CB -0.495 41.634 42.059 0.116 0.000 0.889 92 L HN 0.222 nan 8.230 nan 0.000 0.433 93 D N -1.288 119.134 120.400 0.038 0.000 2.234 93 D HA -0.101 4.539 4.640 -0.000 0.000 0.205 93 D C 1.953 178.255 176.300 0.003 0.000 0.962 93 D CA 1.510 55.536 54.000 0.043 0.000 0.855 93 D CB 0.294 41.135 40.800 0.069 0.000 0.951 93 D HN 0.398 nan 8.370 nan 0.000 0.500 94 T N -5.147 109.386 114.554 -0.036 0.000 2.959 94 T HA 0.328 4.678 4.350 -0.000 0.000 0.254 94 T C 1.678 176.295 174.700 -0.139 0.000 1.003 94 T CA 0.704 62.762 62.100 -0.071 0.000 0.950 94 T CB 0.737 69.556 68.868 -0.082 0.000 1.090 94 T HN 0.066 nan 8.240 nan 0.000 0.503 95 G N 2.105 110.822 108.800 -0.138 0.000 2.184 95 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.264 95 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.264 95 G C 0.017 174.799 174.900 -0.196 0.000 0.975 95 G CA 0.315 45.306 45.100 -0.181 0.000 0.642 95 G HN 0.680 nan 8.290 nan 0.000 0.536 96 K N 1.059 121.343 120.400 -0.194 0.000 2.326 96 K HA 0.318 4.638 4.320 -0.000 0.000 0.275 96 K C -2.327 174.172 176.600 -0.170 0.000 1.018 96 K CA -1.523 54.624 56.287 -0.232 0.000 0.962 96 K CB 0.598 32.928 32.500 -0.284 0.000 0.953 96 K HN 0.049 nan 8.250 nan 0.000 0.475 97 P HA -0.089 nan 4.420 nan 0.000 0.265 97 P C 0.549 177.803 177.300 -0.078 0.000 1.193 97 P CA -0.073 62.967 63.100 -0.100 0.000 0.765 97 P CB 0.443 32.081 31.700 -0.103 0.000 0.823 98 L N 4.385 125.586 121.223 -0.036 0.000 2.187 98 L HA -0.205 4.135 4.340 -0.000 0.000 0.213 98 L C 2.113 178.979 176.870 -0.007 0.000 1.100 98 L CA 2.002 56.831 54.840 -0.019 0.000 0.765 98 L CB -1.375 40.683 42.059 -0.002 0.000 0.904 98 L HN 0.426 nan 8.230 nan 0.000 0.437 99 A N -1.293 121.526 122.820 -0.002 0.000 2.019 99 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 99 A C 2.168 179.773 177.584 0.036 0.000 1.164 99 A CA 1.741 53.792 52.037 0.023 0.000 0.644 99 A CB -0.346 18.674 19.000 0.034 0.000 0.805 99 A HN 0.598 nan 8.150 nan 0.000 0.449 100 E N -0.817 119.370 120.200 -0.021 0.000 2.057 100 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 100 E C 2.299 178.910 176.600 0.019 0.000 0.969 100 E CA 1.352 57.748 56.400 -0.007 0.000 0.812 100 E CB -0.354 29.214 29.700 -0.221 0.000 0.777 100 E HN 0.767 nan 8.360 nan 0.000 0.455 101 T N -0.034 114.497 114.554 -0.038 0.000 2.881 101 T HA -0.100 4.249 4.350 -0.000 0.000 0.270 101 T C 1.832 176.536 174.700 0.007 0.000 1.068 101 T CA 0.704 62.786 62.100 -0.030 0.000 1.131 101 T CB -0.185 68.647 68.868 -0.061 0.000 0.871 101 T HN -0.009 nan 8.240 nan 0.000 0.479 102 R N 0.666 121.176 120.500 0.017 0.000 2.189 102 R HA 0.168 4.508 4.340 -0.000 0.000 0.218 102 R C 2.141 178.467 176.300 0.044 0.000 1.074 102 R CA 1.137 57.252 56.100 0.025 0.000 0.991 102 R CB -0.108 30.206 30.300 0.023 0.000 0.883 102 R HN 0.397 nan 8.270 nan 0.000 0.457 103 S N -0.919 114.822 115.700 0.067 0.000 2.575 103 S HA 0.106 4.576 4.470 -0.000 0.000 0.230 103 S C 1.570 176.237 174.600 0.112 0.000 1.062 103 S CA -0.133 58.119 58.200 0.087 0.000 0.913 103 S CB 0.908 64.171 63.200 0.106 0.000 0.837 103 S HN -0.007 nan 8.310 nan 0.000 0.487 104 V N 1.159 121.158 119.914 0.141 0.000 2.950 104 V HA 0.104 4.224 4.120 -0.000 0.000 0.231 104 V C 1.378 177.572 176.094 0.166 0.000 1.205 104 V CA 0.797 63.209 62.300 0.186 0.000 1.239 104 V CB -0.590 31.424 31.823 0.318 0.000 1.050 104 V HN 0.181 nan 8.190 nan 0.000 0.498 105 D N 0.898 121.382 120.400 0.141 0.000 2.087 105 D HA -0.150 4.490 4.640 -0.000 0.000 0.192 105 D C 1.864 178.200 176.300 0.061 0.000 0.993 105 D CA 1.674 55.740 54.000 0.111 0.000 0.828 105 D CB -0.139 40.673 40.800 0.020 0.000 0.968 105 D HN 0.356 nan 8.370 nan 0.000 0.448 106 I N -0.137 120.456 120.570 0.038 0.000 2.333 106 I HA -0.140 4.030 4.170 -0.000 0.000 0.246 106 I C 2.269 178.416 176.117 0.050 0.000 1.106 106 I CA 0.443 61.755 61.300 0.020 0.000 1.411 106 I CB -0.278 37.717 38.000 -0.007 0.000 1.082 106 I HN -0.093 nan 8.210 nan 0.000 0.420 107 V N 0.726 120.678 119.914 0.064 0.000 2.255 107 V HA -0.329 3.791 4.120 -0.000 0.000 0.247 107 V C 2.676 178.835 176.094 0.108 0.000 1.051 107 V CA 2.631 64.975 62.300 0.073 0.000 1.018 107 V CB -1.465 30.401 31.823 0.071 0.000 0.641 107 V HN 0.668 nan 8.190 nan 0.000 0.445 108 T N -2.008 112.638 114.554 0.153 0.000 2.985 108 T HA 0.031 4.381 4.350 -0.000 0.000 0.266 108 T C 1.900 176.848 174.700 0.414 0.000 1.076 108 T CA 1.189 63.441 62.100 0.252 0.000 1.135 108 T CB -0.297 68.752 68.868 0.303 0.000 0.890 108 T HN 0.460 nan 8.240 nan 0.000 0.480 109 G N 1.347 110.318 108.800 0.285 0.000 2.404 109 G HA2 0.105 4.065 3.960 -0.000 0.000 0.215 109 G HA3 0.105 4.065 3.960 -0.000 0.000 0.215 109 G C 1.911 176.954 174.900 0.239 0.000 1.174 109 G CA 0.646 45.931 45.100 0.309 0.000 0.780 109 G HN 0.700 nan 8.290 nan 0.000 0.537 110 A N 0.977 123.872 122.820 0.126 0.000 1.972 110 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 110 A C 2.051 179.692 177.584 0.095 0.000 1.169 110 A CA 2.014 54.100 52.037 0.082 0.000 0.635 110 A CB -0.357 18.665 19.000 0.037 0.000 0.810 110 A HN 0.273 nan 8.150 nan 0.000 0.446 111 D N -0.241 120.222 120.400 0.104 0.000 2.123 111 D HA -0.114 4.526 4.640 -0.000 0.000 0.196 111 D C 2.004 178.319 176.300 0.025 0.000 0.992 111 D CA 1.453 55.487 54.000 0.056 0.000 0.833 111 D CB -0.300 40.521 40.800 0.035 0.000 0.954 111 D HN 0.244 nan 8.370 nan 0.000 0.455 112 V N 0.855 120.789 119.914 0.033 0.000 2.379 112 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 112 V C 2.405 178.573 176.094 0.123 0.000 1.044 112 V CA 0.753 63.020 62.300 -0.055 0.000 1.036 112 V CB -0.319 31.345 31.823 -0.265 0.000 0.664 112 V HN 0.120 nan 8.190 nan 0.000 0.453 113 L N 0.446 121.775 121.223 0.176 0.000 2.012 113 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 113 L C 2.379 179.342 176.870 0.155 0.000 1.073 113 L CA 2.305 57.261 54.840 0.194 0.000 0.748 113 L CB -0.704 41.448 42.059 0.154 0.000 0.891 113 L HN 0.416 nan 8.230 nan 0.000 0.431 114 E N -1.678 118.588 120.200 0.109 0.000 2.038 114 E HA -0.329 4.021 4.350 -0.000 0.000 0.195 114 E C 2.192 178.837 176.600 0.074 0.000 1.000 114 E CA 1.767 58.217 56.400 0.083 0.000 0.803 114 E CB -0.445 29.294 29.700 0.065 0.000 0.750 114 E HN 0.600 nan 8.360 nan 0.000 0.448 115 Y N 0.199 120.435 120.300 -0.106 0.000 2.014 115 Y HA -0.348 4.202 4.550 0.001 0.000 0.272 115 Y C 1.999 177.787 175.900 -0.187 0.000 1.164 115 Y CA 2.312 60.283 58.100 -0.215 0.000 1.114 115 Y CB -0.786 37.432 38.460 -0.403 0.000 0.961 115 Y HN 0.175 nan 8.280 nan 0.000 0.489 116 Y N -0.203 120.082 120.300 -0.025 0.000 2.293 116 Y HA -0.117 4.433 4.550 0.000 0.000 0.291 116 Y C 2.666 178.517 175.900 -0.082 0.000 1.137 116 Y CA 0.916 58.944 58.100 -0.120 0.000 1.202 116 Y CB -1.333 37.121 38.460 -0.009 0.000 0.990 116 Y HN 0.276 nan 8.280 nan 0.000 0.537 117 A N 0.320 123.209 122.820 0.115 0.000 1.892 117 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 117 A C 2.637 180.228 177.584 0.012 0.000 1.188 117 A CA 2.017 54.099 52.037 0.075 0.000 0.631 117 A CB -1.519 17.531 19.000 0.084 0.000 0.822 117 A HN 0.465 nan 8.150 nan 0.000 0.447 118 G N -0.786 107.996 108.800 -0.029 0.000 2.470 118 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.220 118 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.220 118 G C 1.333 176.182 174.900 -0.084 0.000 1.121 118 G CA 0.965 46.030 45.100 -0.059 0.000 0.766 118 G HN 0.466 nan 8.290 nan 0.000 0.553 119 L N 0.435 121.595 121.223 -0.105 0.000 2.567 119 L HA 0.115 4.455 4.340 -0.000 0.000 0.225 119 L C 2.538 179.383 176.870 -0.041 0.000 1.119 119 L CA -0.327 54.453 54.840 -0.100 0.000 0.871 119 L CB 0.190 42.152 42.059 -0.162 0.000 1.036 119 L HN 0.001 nan 8.230 nan 0.000 0.459 120 V N 0.990 120.888 119.914 -0.027 0.000 2.278 120 V HA -0.212 3.908 4.120 -0.000 0.000 0.251 120 V C -0.247 175.817 176.094 -0.051 0.000 1.062 120 V CA 2.093 64.370 62.300 -0.038 0.000 1.038 120 V CB -1.556 30.232 31.823 -0.058 0.000 0.646 120 V HN 0.415 nan 8.190 nan 0.000 0.447 121 P HA 0.063 nan 4.420 nan 0.000 0.233 121 P C 1.080 178.356 177.300 -0.040 0.000 1.167 121 P CA 1.230 64.301 63.100 -0.050 0.000 0.770 121 P CB -0.033 31.639 31.700 -0.047 0.000 0.837 122 A N -0.611 122.186 122.820 -0.038 0.000 2.218 122 A HA 0.111 4.431 4.320 -0.000 0.000 0.209 122 A C 0.983 178.554 177.584 -0.021 0.000 1.168 122 A CA -0.097 51.921 52.037 -0.032 0.000 0.804 122 A CB -0.846 18.131 19.000 -0.039 0.000 0.834 122 A HN 0.109 nan 8.150 nan 0.000 0.482 123 I N 1.773 122.331 120.570 -0.020 0.000 2.494 123 I HA 0.081 4.251 4.170 -0.000 0.000 0.289 123 I C -0.138 175.973 176.117 -0.011 0.000 1.106 123 I CA 0.516 61.809 61.300 -0.012 0.000 1.369 123 I CB 0.070 38.062 38.000 -0.012 0.000 1.410 123 I HN 0.326 nan 8.210 nan 0.000 0.523 124 E N 4.066 124.264 120.200 -0.004 0.000 2.369 124 E HA 0.588 4.938 4.350 -0.000 0.000 0.270 124 E C -0.011 176.597 176.600 0.014 0.000 0.909 124 E CA -0.854 55.548 56.400 0.004 0.000 0.775 124 E CB 2.171 31.872 29.700 0.001 0.000 1.270 124 E HN 0.637 nan 8.360 nan 0.000 0.445 125 G N 0.711 109.530 108.800 0.032 0.000 2.531 125 G HA2 0.406 4.366 3.960 -0.000 0.000 0.281 125 G HA3 0.406 4.366 3.960 -0.000 0.000 0.281 125 G C -0.531 174.403 174.900 0.056 0.000 1.382 125 G CA -0.329 44.801 45.100 0.050 0.000 1.045 125 G HN 0.440 nan 8.290 nan 0.000 0.533 126 E N -1.211 119.035 120.200 0.075 0.000 2.281 126 E HA 0.489 4.839 4.350 -0.000 0.000 0.262 126 E C -0.930 175.748 176.600 0.129 0.000 0.933 126 E CA -0.654 55.791 56.400 0.076 0.000 0.809 126 E CB 2.051 31.783 29.700 0.053 0.000 1.242 126 E HN 0.402 nan 8.360 nan 0.000 0.418 127 Q N 1.448 121.321 119.800 0.121 0.000 2.304 127 Q HA 0.515 4.855 4.340 -0.000 0.000 0.270 127 Q C -1.933 174.152 176.000 0.141 0.000 1.035 127 Q CA -0.379 55.532 55.803 0.179 0.000 0.781 127 Q CB 1.072 29.904 28.738 0.156 0.000 1.261 127 Q HN 0.516 nan 8.270 nan 0.000 0.444 128 I N 5.441 126.117 120.570 0.178 0.000 2.468 128 I HA 0.454 4.624 4.170 -0.000 0.000 0.285 128 I C -2.346 173.875 176.117 0.174 0.000 1.039 128 I CA -2.054 59.322 61.300 0.128 0.000 1.074 128 I CB 2.256 40.306 38.000 0.084 0.000 1.228 128 I HN 0.575 nan 8.210 nan 0.000 0.436 129 P HA 0.249 nan 4.420 nan 0.000 0.281 129 P C 0.168 177.530 177.300 0.103 0.000 1.252 129 P CA -0.190 62.992 63.100 0.137 0.000 0.778 129 P CB 1.500 33.238 31.700 0.063 0.000 0.895 130 L N 2.792 124.084 121.223 0.116 0.000 2.269 130 L HA 0.229 4.569 4.340 -0.000 0.000 0.200 130 L C 1.361 178.266 176.870 0.058 0.000 1.069 130 L CA 0.766 55.649 54.840 0.073 0.000 0.804 130 L CB -0.327 41.770 42.059 0.065 0.000 0.987 130 L HN 0.489 nan 8.230 nan 0.000 0.468 131 R N -1.694 118.847 120.500 0.070 0.000 2.741 131 R HA 0.165 4.505 4.340 -0.000 0.000 0.274 131 R C 0.299 176.636 176.300 0.062 0.000 1.029 131 R CA -0.774 55.357 56.100 0.052 0.000 0.880 131 R CB 0.864 31.189 30.300 0.041 0.000 1.264 131 R HN -0.274 nan 8.270 nan 0.000 0.465 132 E N 0.698 120.924 120.200 0.044 0.000 2.160 132 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 132 E C 0.869 177.509 176.600 0.067 0.000 0.991 132 E CA 2.398 58.823 56.400 0.042 0.000 0.810 132 E CB 0.075 29.790 29.700 0.025 0.000 0.742 132 E HN 0.704 nan 8.360 nan 0.000 0.466 133 T N -2.258 112.339 114.554 0.072 0.000 3.144 133 T HA 0.204 4.554 4.350 -0.000 0.000 0.249 133 T C 0.573 175.345 174.700 0.120 0.000 1.089 133 T CA -0.101 62.051 62.100 0.087 0.000 0.989 133 T CB 0.324 69.229 68.868 0.062 0.000 0.992 133 T HN -0.031 nan 8.240 nan 0.000 0.540 134 S N 0.503 116.294 115.700 0.152 0.000 2.535 134 S HA 0.671 5.141 4.470 -0.000 0.000 0.272 134 S C -1.658 173.100 174.600 0.265 0.000 1.149 134 S CA -1.119 57.178 58.200 0.161 0.000 0.888 134 S CB 0.930 64.176 63.200 0.078 0.000 1.110 134 S HN 0.511 nan 8.310 nan 0.000 0.463 135 F N 2.197 122.174 119.950 0.045 0.000 2.643 135 F HA 0.875 5.402 4.527 -0.000 0.000 0.314 135 F C -0.919 174.917 175.800 0.059 0.000 1.096 135 F CA -1.197 56.835 58.000 0.052 0.000 0.953 135 F CB 1.194 40.232 39.000 0.063 0.000 1.345 135 F HN 0.462 nan 8.300 nan 0.000 0.468 136 V N 2.378 122.333 119.914 0.068 0.000 2.628 136 V HA 0.775 4.895 4.120 -0.000 0.000 0.306 136 V C -1.686 174.490 176.094 0.136 0.000 1.045 136 V CA -0.733 61.526 62.300 -0.068 0.000 0.905 136 V CB 1.554 33.335 31.823 -0.070 0.000 0.997 136 V HN 1.063 nan 8.190 nan 0.000 0.436 137 Y N 2.073 122.345 120.300 -0.047 0.000 2.485 137 Y HA 0.881 5.431 4.550 -0.000 0.000 0.345 137 Y C 0.011 175.910 175.900 -0.003 0.000 0.998 137 Y CA -0.406 57.716 58.100 0.038 0.000 1.059 137 Y CB 1.543 40.063 38.460 0.099 0.000 1.234 137 Y HN 0.885 nan 8.280 nan 0.000 0.461 138 T N 0.662 115.295 114.554 0.133 0.000 2.929 138 T HA 0.666 5.016 4.350 -0.000 0.000 0.284 138 T C -0.557 174.226 174.700 0.138 0.000 1.014 138 T CA -1.013 61.117 62.100 0.050 0.000 1.051 138 T CB 1.344 70.225 68.868 0.021 0.000 1.028 138 T HN 0.838 nan 8.240 nan 0.000 0.485 139 R N 1.052 121.595 120.500 0.070 0.000 2.514 139 R HA 0.467 4.806 4.340 -0.000 0.000 0.301 139 R C -0.047 176.272 176.300 0.032 0.000 0.962 139 R CA -0.845 55.303 56.100 0.080 0.000 0.882 139 R CB 1.606 31.955 30.300 0.082 0.000 1.143 139 R HN 0.528 nan 8.270 nan 0.000 0.452 140 R N 2.508 123.025 120.500 0.028 0.000 2.230 140 R HA 0.146 4.486 4.340 -0.000 0.000 0.337 140 R C -0.513 175.796 176.300 0.015 0.000 1.063 140 R CA -0.175 55.932 56.100 0.011 0.000 0.935 140 R CB 0.957 31.258 30.300 0.002 0.000 1.121 140 R HN 0.562 nan 8.270 nan 0.000 0.486 141 E N 3.395 123.605 120.200 0.017 0.000 2.227 141 E HA 0.321 4.671 4.350 -0.000 0.000 0.268 141 E C -2.372 174.249 176.600 0.035 0.000 0.990 141 E CA -2.257 54.156 56.400 0.023 0.000 0.856 141 E CB 1.402 31.115 29.700 0.021 0.000 1.159 141 E HN 0.208 nan 8.360 nan 0.000 0.401 142 P HA -0.014 nan 4.420 nan 0.000 0.269 142 P C 0.273 177.618 177.300 0.075 0.000 1.209 142 P CA 0.176 63.320 63.100 0.073 0.000 0.776 142 P CB 0.569 32.318 31.700 0.082 0.000 0.876 143 L N 1.072 122.354 121.223 0.098 0.000 2.083 143 L HA -0.017 4.323 4.340 -0.000 0.000 0.209 143 L C 1.712 178.634 176.870 0.087 0.000 1.083 143 L CA 2.013 56.906 54.840 0.089 0.000 0.752 143 L CB -0.919 41.205 42.059 0.109 0.000 0.899 143 L HN 0.797 nan 8.230 nan 0.000 0.433 144 G N -1.253 107.608 108.800 0.102 0.000 2.731 144 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 144 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 144 G C -0.593 174.365 174.900 0.097 0.000 1.349 144 G CA -0.318 44.836 45.100 0.092 0.000 1.225 144 G HN -0.118 nan 8.290 nan 0.000 0.526 145 V N 2.115 122.077 119.914 0.081 0.000 2.407 145 V HA 0.637 4.757 4.120 -0.000 0.000 0.278 145 V C 0.879 177.029 176.094 0.094 0.000 1.037 145 V CA 0.118 62.461 62.300 0.072 0.000 0.900 145 V CB 0.797 32.641 31.823 0.034 0.000 0.983 145 V HN 1.564 nan 8.190 nan 0.000 0.459 146 V N 2.132 122.116 119.914 0.117 0.000 3.046 146 V HA 1.069 5.189 4.120 -0.000 0.000 0.316 146 V C -0.179 176.000 176.094 0.142 0.000 1.104 146 V CA -0.841 61.553 62.300 0.157 0.000 1.006 146 V CB 1.989 33.970 31.823 0.264 0.000 1.058 146 V HN 1.084 nan 8.190 nan 0.000 0.440 147 A N 1.052 123.964 122.820 0.153 0.000 2.386 147 A HA 0.975 5.295 4.320 -0.000 0.000 0.311 147 A C -0.015 177.677 177.584 0.180 0.000 1.068 147 A CA -0.180 51.937 52.037 0.133 0.000 0.743 147 A CB 1.518 20.568 19.000 0.083 0.000 1.258 147 A HN 1.980 nan 8.150 nan 0.000 0.429 148 G N 0.501 109.415 108.800 0.191 0.000 2.461 148 G HA2 0.602 4.562 3.960 -0.000 0.000 0.323 148 G HA3 0.602 4.562 3.960 -0.000 0.000 0.323 148 G C -0.973 173.840 174.900 -0.144 0.000 1.229 148 G CA -0.458 44.768 45.100 0.209 0.000 0.941 148 G HN 0.643 nan 8.290 nan 0.000 0.477 149 I N 1.915 122.423 120.570 -0.104 0.000 2.410 149 I HA 0.427 4.597 4.170 -0.000 0.000 0.286 149 I C 0.787 176.742 176.117 -0.270 0.000 1.009 149 I CA -0.663 60.498 61.300 -0.232 0.000 1.111 149 I CB 2.088 40.143 38.000 0.091 0.000 1.262 149 I HN 0.556 nan 8.210 nan 0.000 0.443 150 G N 3.967 112.536 108.800 -0.384 0.000 2.462 150 G HA2 0.750 4.710 3.960 -0.000 0.000 0.319 150 G HA3 0.750 4.710 3.960 -0.000 0.000 0.319 150 G C -0.590 174.235 174.900 -0.125 0.000 1.171 150 G CA -0.400 44.650 45.100 -0.085 0.000 0.920 150 G HN 0.705 nan 8.290 nan 0.000 0.499 151 A N 0.347 123.093 122.820 -0.122 0.000 2.269 151 A HA 0.643 4.963 4.320 -0.000 0.000 0.327 151 A C 0.800 178.326 177.584 -0.097 0.000 1.112 151 A CA -0.734 51.176 52.037 -0.211 0.000 0.865 151 A CB 0.654 19.409 19.000 -0.408 0.000 1.227 151 A HN 1.047 nan 8.150 nan 0.000 0.498 152 W N 0.926 122.240 121.300 0.024 0.000 3.003 152 W HA -0.028 4.632 4.660 -0.000 0.000 0.257 152 W C 0.884 177.398 176.519 -0.008 0.000 1.308 152 W CA 0.778 58.128 57.345 0.009 0.000 1.529 152 W CB -0.610 28.837 29.460 -0.022 0.000 1.115 152 W HN 0.853 nan 8.180 nan 0.000 0.659 153 N N 1.301 119.770 118.700 -0.385 0.000 2.250 153 N HA -0.198 4.542 4.740 -0.000 0.000 0.181 153 N C -0.231 175.198 175.510 -0.135 0.000 1.017 153 N CA 0.918 53.840 53.050 -0.214 0.000 0.866 153 N CB -1.145 37.152 38.487 -0.316 0.000 0.985 153 N HN 0.230 nan 8.380 nan 0.000 0.429 154 Y N -0.173 120.041 120.300 -0.142 0.000 2.490 154 Y HA 0.402 4.952 4.550 -0.000 0.000 0.346 154 Y C -1.825 174.010 175.900 -0.109 0.000 1.023 154 Y CA -1.883 56.136 58.100 -0.135 0.000 1.142 154 Y CB 2.050 40.377 38.460 -0.221 0.000 1.126 154 Y HN -0.002 nan 8.280 nan 0.000 0.647 155 P HA -0.217 nan 4.420 nan 0.000 0.214 155 P C 1.854 179.180 177.300 0.043 0.000 1.163 155 P CA 1.199 64.346 63.100 0.079 0.000 0.883 155 P CB 0.534 32.290 31.700 0.093 0.000 0.788 156 V N -0.519 119.386 119.914 -0.013 0.000 2.453 156 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 156 V C 2.548 178.578 176.094 -0.107 0.000 1.048 156 V CA 1.709 63.967 62.300 -0.070 0.000 1.049 156 V CB -0.916 30.864 31.823 -0.072 0.000 0.672 156 V HN 0.106 nan 8.190 nan 0.000 0.457 157 Q N -0.331 119.405 119.800 -0.106 0.000 2.050 157 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 157 Q C 2.184 177.960 176.000 -0.373 0.000 0.980 157 Q CA 2.510 58.160 55.803 -0.254 0.000 0.840 157 Q CB -0.203 28.350 28.738 -0.308 0.000 0.898 157 Q HN 0.698 nan 8.270 nan 0.000 0.424 158 I N 0.662 121.090 120.570 -0.235 0.000 2.315 158 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 158 I C 2.458 178.591 176.117 0.027 0.000 1.117 158 I CA 0.892 62.141 61.300 -0.086 0.000 1.404 158 I CB -0.389 37.618 38.000 0.011 0.000 1.071 158 I HN 0.220 nan 8.210 nan 0.000 0.419 159 A N 0.800 123.546 122.820 -0.123 0.000 1.908 159 A HA -0.168 4.151 4.320 -0.000 0.000 0.218 159 A C 2.279 179.697 177.584 -0.277 0.000 1.181 159 A CA 1.579 53.292 52.037 -0.541 0.000 0.627 159 A CB -0.737 17.864 19.000 -0.666 0.000 0.818 159 A HN 0.387 nan 8.150 nan 0.000 0.445 160 L N -2.612 118.538 121.223 -0.121 0.000 2.095 160 L HA -0.119 4.221 4.340 -0.000 0.000 0.204 160 L C 2.520 179.544 176.870 0.256 0.000 1.080 160 L CA 0.629 55.480 54.840 0.018 0.000 0.759 160 L CB -0.434 41.654 42.059 0.048 0.000 0.914 160 L HN 0.529 nan 8.230 nan 0.000 0.439 161 W N 0.952 122.269 121.300 0.029 0.000 2.342 161 W HA -0.152 4.508 4.660 -0.001 0.000 0.297 161 W C 2.480 179.061 176.519 0.103 0.000 1.213 161 W CA 0.776 58.177 57.345 0.093 0.000 1.251 161 W CB -0.597 28.916 29.460 0.087 0.000 1.136 161 W HN 0.095 nan 8.180 nan 0.000 0.526 162 K N -0.019 120.569 120.400 0.313 0.000 2.044 162 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 162 K C 2.259 178.911 176.600 0.086 0.000 1.049 162 K CA 1.806 58.245 56.287 0.253 0.000 0.945 162 K CB -0.655 32.064 32.500 0.364 0.000 0.724 162 K HN 0.062 nan 8.250 nan 0.000 0.440 163 S N 1.251 116.996 115.700 0.075 0.000 2.406 163 S HA -0.051 4.419 4.470 -0.000 0.000 0.228 163 S C 2.302 176.836 174.600 -0.111 0.000 1.020 163 S CA 0.775 58.968 58.200 -0.012 0.000 0.965 163 S CB -0.256 62.883 63.200 -0.102 0.000 0.798 163 S HN 0.274 nan 8.310 nan 0.000 0.488 164 A N 3.784 126.598 122.820 -0.011 0.000 1.849 164 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 164 A C 0.477 177.962 177.584 -0.166 0.000 1.202 164 A CA 1.822 53.881 52.037 0.036 0.000 0.629 164 A CB -1.881 17.268 19.000 0.249 0.000 0.834 164 A HN 0.605 nan 8.150 nan 0.000 0.447 165 P HA -0.055 nan 4.420 nan 0.000 0.221 165 P C 1.517 178.386 177.300 -0.719 0.000 1.150 165 P CA 1.767 64.388 63.100 -0.798 0.000 0.800 165 P CB -0.166 31.038 31.700 -0.826 0.000 0.787 166 A N -0.063 122.193 122.820 -0.939 0.000 1.877 166 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 166 A C 2.191 179.641 177.584 -0.223 0.000 1.186 166 A CA 1.509 53.069 52.037 -0.794 0.000 0.620 166 A CB -1.537 17.110 19.000 -0.590 0.000 0.822 166 A HN 0.085 nan 8.150 nan 0.000 0.443 167 L N -0.462 120.672 121.223 -0.148 0.000 2.072 167 L HA -0.021 4.319 4.340 -0.000 0.000 0.205 167 L C 2.981 180.024 176.870 0.289 0.000 1.079 167 L CA 1.738 56.619 54.840 0.069 0.000 0.752 167 L CB -0.899 41.042 42.059 -0.196 0.000 0.906 167 L HN 0.376 nan 8.230 nan 0.000 0.436 168 A N -0.553 122.318 122.820 0.084 0.000 1.986 168 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 168 A C 2.237 179.833 177.584 0.020 0.000 1.171 168 A CA 1.768 53.845 52.037 0.066 0.000 0.640 168 A CB -0.792 18.219 19.000 0.020 0.000 0.811 168 A HN 0.370 nan 8.150 nan 0.000 0.451 169 A N -2.128 120.697 122.820 0.007 0.000 2.278 169 A HA 0.441 4.761 4.320 -0.000 0.000 0.212 169 A C 1.597 179.219 177.584 0.063 0.000 1.213 169 A CA 1.084 53.140 52.037 0.031 0.000 0.840 169 A CB -0.798 18.247 19.000 0.074 0.000 0.866 169 A HN 1.890 nan 8.150 nan 0.000 0.489 170 G N -0.690 108.182 108.800 0.120 0.000 2.144 170 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 170 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 170 G C -0.214 174.865 174.900 0.298 0.000 0.988 170 G CA -0.030 45.142 45.100 0.120 0.000 0.659 170 G HN 0.481 nan 8.290 nan 0.000 0.522 171 N N 0.365 119.237 118.700 0.285 0.000 2.472 171 N HA 0.690 5.430 4.740 -0.000 0.000 0.289 171 N C 0.224 175.812 175.510 0.129 0.000 1.156 171 N CA 0.320 53.489 53.050 0.198 0.000 0.940 171 N CB 1.759 40.339 38.487 0.155 0.000 1.200 171 N HN 0.579 nan 8.380 nan 0.000 0.511 172 A N 0.770 123.635 122.820 0.075 0.000 2.303 172 A HA 0.609 4.929 4.320 -0.000 0.000 0.317 172 A C -0.296 177.313 177.584 0.041 0.000 1.149 172 A CA -0.517 51.518 52.037 -0.004 0.000 0.822 172 A CB 0.709 19.707 19.000 -0.004 0.000 1.131 172 A HN 0.728 nan 8.150 nan 0.000 0.493 173 M N 2.723 122.355 119.600 0.053 0.000 2.321 173 M HA 0.602 5.082 4.480 -0.000 0.000 0.315 173 M C -1.796 174.509 176.300 0.007 0.000 1.052 173 M CA -0.504 54.861 55.300 0.109 0.000 0.936 173 M CB 1.115 33.864 32.600 0.248 0.000 1.639 173 M HN 0.595 nan 8.290 nan 0.000 0.433 174 I N 4.726 125.298 120.570 0.002 0.000 2.331 174 I HA 0.333 4.503 4.170 -0.000 0.000 0.292 174 I C -1.219 174.892 176.117 -0.010 0.000 0.998 174 I CA -0.409 60.849 61.300 -0.070 0.000 1.267 174 I CB 1.102 39.077 38.000 -0.042 0.000 1.386 174 I HN 0.597 nan 8.210 nan 0.000 0.476 175 F N 7.384 127.168 119.950 -0.276 0.000 2.458 175 F HA 0.431 4.958 4.527 -0.000 0.000 0.336 175 F C -0.176 175.591 175.800 -0.056 0.000 1.114 175 F CA -0.640 57.281 58.000 -0.133 0.000 0.987 175 F CB 1.165 40.069 39.000 -0.161 0.000 1.130 175 F HN 0.280 nan 8.300 nan 0.000 0.458 176 K N 8.776 128.769 120.400 -0.678 0.000 2.389 176 K HA 0.404 4.724 4.320 -0.000 0.000 0.261 176 K C -2.856 173.389 176.600 -0.591 0.000 1.014 176 K CA -2.145 53.891 56.287 -0.418 0.000 0.920 176 K CB 1.293 33.669 32.500 -0.205 0.000 1.149 176 K HN 0.323 nan 8.250 nan 0.000 0.444 177 P HA -0.021 nan 4.420 nan 0.000 0.274 177 P C -0.278 177.040 177.300 0.029 0.000 1.246 177 P CA -0.343 62.787 63.100 0.050 0.000 0.795 177 P CB 0.888 32.779 31.700 0.318 0.000 1.006 178 S N -0.058 115.692 115.700 0.083 0.000 2.558 178 S HA -0.071 4.399 4.470 -0.000 0.000 0.288 178 S C 1.450 176.106 174.600 0.094 0.000 1.318 178 S CA -0.051 58.207 58.200 0.097 0.000 1.056 178 S CB -0.370 62.959 63.200 0.214 0.000 0.853 178 S HN 0.534 nan 8.310 nan 0.000 0.505 179 E N 2.661 122.842 120.200 -0.031 0.000 2.209 179 E HA -0.127 4.223 4.350 -0.000 0.000 0.196 179 E C 1.560 178.194 176.600 0.057 0.000 0.993 179 E CA 1.383 57.668 56.400 -0.191 0.000 0.819 179 E CB -0.041 29.367 29.700 -0.486 0.000 0.745 179 E HN 0.677 nan 8.360 nan 0.000 0.477 180 V N 0.107 120.064 119.914 0.072 0.000 2.515 180 V HA -0.132 3.988 4.120 -0.000 0.000 0.250 180 V C 1.474 177.654 176.094 0.144 0.000 1.058 180 V CA 1.793 64.138 62.300 0.075 0.000 1.064 180 V CB -0.172 31.621 31.823 -0.050 0.000 0.675 180 V HN 0.413 nan 8.190 nan 0.000 0.461 181 T N -2.730 111.940 114.554 0.193 0.000 3.542 181 T HA 0.314 4.664 4.350 -0.000 0.000 0.276 181 T C -1.798 173.025 174.700 0.205 0.000 1.412 181 T CA -0.982 61.229 62.100 0.185 0.000 1.664 181 T CB 1.333 70.311 68.868 0.184 0.000 0.863 181 T HN 0.276 nan 8.240 nan 0.000 0.661 182 P HA 0.219 nan 4.420 nan 0.000 0.240 182 P C 1.428 178.841 177.300 0.190 0.000 1.190 182 P CA -0.111 63.139 63.100 0.251 0.000 0.781 182 P CB 0.329 32.229 31.700 0.334 0.000 0.931 183 L N 0.270 121.578 121.223 0.143 0.000 2.023 183 L HA -0.074 4.266 4.340 -0.000 0.000 0.205 183 L C 2.668 179.578 176.870 0.066 0.000 1.073 183 L CA 2.345 57.241 54.840 0.094 0.000 0.745 183 L CB -1.928 40.175 42.059 0.073 0.000 0.900 183 L HN 0.066 nan 8.230 nan 0.000 0.435 184 T N -2.286 112.302 114.554 0.056 0.000 2.951 184 T HA -0.018 4.332 4.350 -0.000 0.000 0.268 184 T C 1.941 176.649 174.700 0.014 0.000 1.073 184 T CA 0.771 62.878 62.100 0.013 0.000 1.134 184 T CB -0.247 68.616 68.868 -0.008 0.000 0.884 184 T HN 0.285 nan 8.240 nan 0.000 0.479 185 A N 1.911 124.780 122.820 0.082 0.000 1.902 185 A HA 0.112 4.432 4.320 -0.000 0.000 0.217 185 A C 2.391 180.039 177.584 0.108 0.000 1.181 185 A CA 1.317 53.423 52.037 0.115 0.000 0.623 185 A CB -0.945 18.231 19.000 0.293 0.000 0.818 185 A HN 0.542 nan 8.150 nan 0.000 0.443 186 L N -0.679 120.609 121.223 0.108 0.000 2.042 186 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 186 L C 2.548 179.396 176.870 -0.037 0.000 1.076 186 L CA 1.419 56.302 54.840 0.071 0.000 0.749 186 L CB -0.440 41.753 42.059 0.223 0.000 0.893 186 L HN 0.234 nan 8.230 nan 0.000 0.432 187 K N -0.054 120.335 120.400 -0.019 0.000 2.057 187 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 187 K C 2.046 178.552 176.600 -0.158 0.000 1.049 187 K CA 1.169 57.415 56.287 -0.068 0.000 0.931 187 K CB -0.736 31.726 32.500 -0.064 0.000 0.714 187 K HN 0.151 nan 8.250 nan 0.000 0.440 188 L N 1.250 122.361 121.223 -0.187 0.000 2.042 188 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 188 L C 2.173 178.825 176.870 -0.363 0.000 1.076 188 L CA 2.011 56.641 54.840 -0.351 0.000 0.749 188 L CB -0.799 41.011 42.059 -0.415 0.000 0.893 188 L HN 0.156 nan 8.230 nan 0.000 0.432 189 A N -0.718 121.997 122.820 -0.174 0.000 1.902 189 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 189 A C 2.143 179.431 177.584 -0.494 0.000 1.181 189 A CA 1.839 53.732 52.037 -0.240 0.000 0.623 189 A CB -0.681 17.917 19.000 -0.671 0.000 0.818 189 A HN 0.630 nan 8.150 nan 0.000 0.443 190 E N -0.327 119.569 120.200 -0.507 0.000 2.085 190 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 190 E C 1.899 178.448 176.600 -0.085 0.000 0.994 190 E CA 1.421 57.702 56.400 -0.200 0.000 0.801 190 E CB -0.332 29.337 29.700 -0.052 0.000 0.743 190 E HN 0.716 nan 8.360 nan 0.000 0.453 191 I N 0.164 120.644 120.570 -0.149 0.000 2.202 191 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 191 I C 2.117 178.185 176.117 -0.082 0.000 1.091 191 I CA 0.956 62.171 61.300 -0.142 0.000 1.368 191 I CB -0.303 37.552 38.000 -0.241 0.000 1.058 191 I HN 0.102 nan 8.210 nan 0.000 0.410 192 Y N 1.295 121.509 120.300 -0.143 0.000 2.102 192 Y HA -0.297 4.253 4.550 -0.000 0.000 0.280 192 Y C 2.942 178.802 175.900 -0.067 0.000 1.178 192 Y CA 1.738 59.755 58.100 -0.139 0.000 1.146 192 Y CB -1.543 36.793 38.460 -0.208 0.000 0.968 192 Y HN 0.167 nan 8.280 nan 0.000 0.504 193 T N -0.649 113.992 114.554 0.144 0.000 2.777 193 T HA -0.199 4.151 4.350 -0.000 0.000 0.266 193 T C 1.843 176.598 174.700 0.091 0.000 1.040 193 T CA 1.459 63.634 62.100 0.125 0.000 1.141 193 T CB -0.239 68.743 68.868 0.189 0.000 0.868 193 T HN 0.421 nan 8.240 nan 0.000 0.444 194 E N 0.870 121.113 120.200 0.072 0.000 2.118 194 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 194 E C 2.261 178.895 176.600 0.056 0.000 0.992 194 E CA 0.983 57.416 56.400 0.055 0.000 0.804 194 E CB -0.173 29.547 29.700 0.033 0.000 0.741 194 E HN 0.480 nan 8.360 nan 0.000 0.458 195 A N -0.024 122.836 122.820 0.066 0.000 2.121 195 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 195 A C 1.816 179.454 177.584 0.090 0.000 1.154 195 A CA 1.394 53.479 52.037 0.080 0.000 0.679 195 A CB -0.438 18.627 19.000 0.109 0.000 0.795 195 A HN 0.519 nan 8.150 nan 0.000 0.458 196 G N -2.206 106.645 108.800 0.086 0.000 2.148 196 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.203 196 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.203 196 G C 0.088 175.044 174.900 0.093 0.000 0.993 196 G CA -0.088 45.067 45.100 0.091 0.000 0.661 196 G HN 0.762 nan 8.290 nan 0.000 0.518 197 V N 2.260 122.189 119.914 0.024 0.000 2.540 197 V HA 0.263 4.383 4.120 -0.000 0.000 0.297 197 V C -0.974 175.070 176.094 -0.082 0.000 1.024 197 V CA -0.516 61.689 62.300 -0.159 0.000 1.105 197 V CB 0.737 32.337 31.823 -0.371 0.000 0.938 197 V HN 0.220 nan 8.190 nan 0.000 0.482 198 P HA 0.077 nan 4.420 nan 0.000 0.268 198 P C -0.476 176.815 177.300 -0.015 0.000 1.208 198 P CA -0.349 62.764 63.100 0.020 0.000 0.777 198 P CB 0.323 32.080 31.700 0.095 0.000 0.875 199 D N 1.266 121.673 120.400 0.013 0.000 2.533 199 D HA 0.206 4.846 4.640 -0.000 0.000 0.236 199 D C 1.639 177.934 176.300 -0.009 0.000 1.137 199 D CA 1.841 55.844 54.000 0.005 0.000 0.867 199 D CB -0.109 40.688 40.800 -0.004 0.000 1.170 199 D HN 0.687 nan 8.370 nan 0.000 0.474 200 G N 1.057 109.852 108.800 -0.009 0.000 2.217 200 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.246 200 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.246 200 G C 1.207 176.083 174.900 -0.039 0.000 0.990 200 G CA 0.197 45.285 45.100 -0.021 0.000 0.627 200 G HN 0.454 nan 8.290 nan 0.000 0.522 201 V N -0.726 119.139 119.914 -0.082 0.000 2.548 201 V HA 0.302 4.422 4.120 -0.000 0.000 0.249 201 V C 0.909 176.950 176.094 -0.089 0.000 1.055 201 V CA 2.051 64.240 62.300 -0.185 0.000 1.065 201 V CB -0.175 31.363 31.823 -0.474 0.000 0.681 201 V HN 0.534 nan 8.190 nan 0.000 0.462 202 F N 1.246 121.094 119.950 -0.169 0.000 2.716 202 F HA 0.538 5.065 4.527 -0.000 0.000 0.354 202 F C -0.524 175.316 175.800 0.066 0.000 1.168 202 F CA -1.037 56.916 58.000 -0.077 0.000 1.045 202 F CB 0.734 39.660 39.000 -0.125 0.000 1.311 202 F HN -0.056 nan 8.300 nan 0.000 0.477 203 N N 3.742 122.238 118.700 -0.340 0.000 2.370 203 N HA 0.653 5.392 4.740 -0.000 0.000 0.303 203 N C -1.406 173.906 175.510 -0.330 0.000 1.103 203 N CA -0.479 52.465 53.050 -0.177 0.000 0.848 203 N CB 2.717 41.151 38.487 -0.088 0.000 1.235 203 N HN 0.268 nan 8.380 nan 0.000 0.496 204 V N 2.553 122.410 119.914 -0.096 0.000 2.483 204 V HA 0.473 4.593 4.120 -0.000 0.000 0.297 204 V C -0.401 175.737 176.094 0.074 0.000 1.027 204 V CA -0.671 61.618 62.300 -0.019 0.000 0.855 204 V CB 1.496 33.358 31.823 0.064 0.000 0.995 204 V HN 0.401 nan 8.190 nan 0.000 0.424 205 L N 4.947 126.209 121.223 0.066 0.000 2.333 205 L HA 0.696 5.036 4.340 -0.000 0.000 0.280 205 L C 0.401 177.346 176.870 0.124 0.000 1.004 205 L CA -0.382 54.517 54.840 0.098 0.000 0.820 205 L CB 2.290 44.397 42.059 0.079 0.000 1.247 205 L HN 0.756 nan 8.230 nan 0.000 0.416 206 T N -0.658 114.009 114.554 0.188 0.000 2.944 206 T HA 0.939 5.289 4.350 -0.000 0.000 0.284 206 T C 0.228 175.100 174.700 0.287 0.000 1.010 206 T CA -0.185 62.080 62.100 0.275 0.000 1.025 206 T CB 2.245 71.326 68.868 0.356 0.000 1.079 206 T HN 1.009 nan 8.240 nan 0.000 0.516 207 G N 0.774 109.716 108.800 0.237 0.000 2.334 207 G HA2 0.339 4.299 3.960 -0.000 0.000 0.315 207 G HA3 0.339 4.299 3.960 -0.000 0.000 0.315 207 G C -0.396 174.368 174.900 -0.226 0.000 1.284 207 G CA -0.418 44.682 45.100 0.001 0.000 0.985 207 G HN 1.584 nan 8.290 nan 0.000 0.504 208 S N -0.421 115.140 115.700 -0.232 0.000 2.617 208 S HA 0.588 5.058 4.470 -0.000 0.000 0.269 208 S C 1.696 176.176 174.600 -0.199 0.000 1.292 208 S CA 0.772 58.830 58.200 -0.236 0.000 1.010 208 S CB 1.421 64.491 63.200 -0.217 0.000 0.944 208 S HN 2.206 nan 8.310 nan 0.000 0.536 209 G N 0.925 109.638 108.800 -0.145 0.000 2.408 209 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 209 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 209 G C 1.451 176.239 174.900 -0.186 0.000 1.150 209 G CA 0.434 45.463 45.100 -0.118 0.000 0.776 209 G HN 0.727 nan 8.290 nan 0.000 0.542 210 R N 0.311 120.699 120.500 -0.188 0.000 2.127 210 R HA -0.014 4.326 4.340 -0.000 0.000 0.238 210 R C 2.241 178.318 176.300 -0.371 0.000 1.134 210 R CA 1.776 57.751 56.100 -0.208 0.000 0.975 210 R CB -0.060 30.148 30.300 -0.153 0.000 0.865 210 R HN 0.548 nan 8.270 nan 0.000 0.447 211 E N -1.640 118.252 120.200 -0.514 0.000 2.205 211 E HA -0.035 4.315 4.350 -0.000 0.000 0.219 211 E C 1.665 177.464 176.600 -1.334 0.000 0.948 211 E CA 0.554 56.310 56.400 -1.074 0.000 0.993 211 E CB -0.505 28.678 29.700 -0.861 0.000 1.441 211 E HN 0.044 nan 8.360 nan 0.000 0.511 212 V N 1.486 120.955 119.914 -0.742 0.000 2.332 212 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 212 V C 2.011 178.020 176.094 -0.142 0.000 1.055 212 V CA 2.640 64.790 62.300 -0.249 0.000 1.038 212 V CB -0.842 30.986 31.823 0.008 0.000 0.651 212 V HN 0.516 nan 8.190 nan 0.000 0.450 213 G N -1.361 107.334 108.800 -0.175 0.000 2.418 213 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.217 213 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.217 213 G C 1.454 176.302 174.900 -0.085 0.000 1.158 213 G CA 1.046 46.093 45.100 -0.089 0.000 0.771 213 G HN 0.583 nan 8.290 nan 0.000 0.545 214 Q N -0.531 119.153 119.800 -0.194 0.000 2.096 214 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 214 Q C 2.280 178.282 176.000 0.003 0.000 0.982 214 Q CA 1.824 57.534 55.803 -0.156 0.000 0.850 214 Q CB -0.312 28.267 28.738 -0.266 0.000 0.901 214 Q HN 0.616 nan 8.270 nan 0.000 0.422 215 W N 0.116 121.433 121.300 0.029 0.000 2.363 215 W HA -0.075 4.585 4.660 0.000 0.000 0.296 215 W C 1.856 178.424 176.519 0.082 0.000 1.212 215 W CA 0.632 58.008 57.345 0.053 0.000 1.260 215 W CB -0.848 28.646 29.460 0.056 0.000 1.131 215 W HN 0.263 nan 8.180 nan 0.000 0.530 216 L N 0.104 121.474 121.223 0.245 0.000 2.044 216 L HA -0.173 4.167 4.340 -0.000 0.000 0.205 216 L C 2.725 179.681 176.870 0.143 0.000 1.075 216 L CA 2.027 56.968 54.840 0.168 0.000 0.747 216 L CB -1.402 40.713 42.059 0.093 0.000 0.903 216 L HN -0.016 nan 8.230 nan 0.000 0.435 217 T N -3.152 111.459 114.554 0.096 0.000 2.881 217 T HA -0.186 4.164 4.350 -0.000 0.000 0.270 217 T C 1.500 176.247 174.700 0.079 0.000 1.068 217 T CA 1.276 63.414 62.100 0.065 0.000 1.131 217 T CB -0.243 68.629 68.868 0.007 0.000 0.871 217 T HN 0.387 nan 8.240 nan 0.000 0.479 218 E N -0.201 120.067 120.200 0.112 0.000 2.385 218 E HA 0.072 4.421 4.350 -0.000 0.000 0.194 218 E C 0.288 176.941 176.600 0.088 0.000 1.013 218 E CA -0.162 56.296 56.400 0.097 0.000 0.866 218 E CB -0.023 29.748 29.700 0.118 0.000 0.832 218 E HN 0.702 nan 8.360 nan 0.000 0.500 219 H N 2.040 121.155 119.070 0.074 0.000 2.929 219 H HA 0.002 4.558 4.556 -0.000 0.000 0.317 219 H C -1.494 173.859 175.328 0.041 0.000 1.031 219 H CA -1.455 54.628 56.048 0.058 0.000 1.466 219 H CB 1.068 30.868 29.762 0.063 0.000 1.482 219 H HN -0.086 nan 8.280 nan 0.000 0.561 220 P HA -0.114 nan 4.420 nan 0.000 0.233 220 P C 0.835 178.212 177.300 0.128 0.000 1.167 220 P CA 0.918 64.023 63.100 0.008 0.000 0.770 220 P CB 0.456 32.111 31.700 -0.076 0.000 0.837 221 L N -1.274 120.156 121.223 0.346 0.000 2.529 221 L HA 0.191 4.531 4.340 -0.000 0.000 0.223 221 L C 1.330 178.296 176.870 0.160 0.000 1.113 221 L CA -0.118 54.867 54.840 0.242 0.000 0.861 221 L CB -0.115 42.089 42.059 0.243 0.000 1.012 221 L HN -0.147 nan 8.230 nan 0.000 0.461 222 I N 0.435 121.113 120.570 0.180 0.000 2.441 222 I HA -0.000 4.170 4.170 -0.000 0.000 0.287 222 I C 1.155 177.331 176.117 0.098 0.000 1.049 222 I CA 0.047 61.412 61.300 0.110 0.000 1.381 222 I CB 1.159 39.222 38.000 0.105 0.000 1.409 222 I HN 0.081 nan 8.210 nan 0.000 0.523 223 E N 4.757 125.009 120.200 0.086 0.000 2.389 223 E HA 0.114 4.464 4.350 -0.000 0.000 0.199 223 E C 0.149 176.787 176.600 0.064 0.000 0.978 223 E CA 0.419 56.862 56.400 0.072 0.000 0.912 223 E CB 0.639 30.382 29.700 0.071 0.000 0.907 223 E HN 0.488 nan 8.360 nan 0.000 0.494 224 K N 0.588 121.036 120.400 0.080 0.000 2.542 224 K HA 0.329 4.648 4.320 -0.000 0.000 0.259 224 K C -1.582 175.077 176.600 0.099 0.000 0.932 224 K CA -0.508 55.820 56.287 0.069 0.000 0.820 224 K CB 1.604 34.133 32.500 0.050 0.000 1.345 224 K HN -0.211 nan 8.250 nan 0.000 0.432 225 I N 2.141 122.762 120.570 0.084 0.000 2.474 225 I HA 0.294 4.464 4.170 -0.000 0.000 0.294 225 I C -0.459 175.740 176.117 0.135 0.000 1.005 225 I CA -0.579 60.789 61.300 0.114 0.000 1.113 225 I CB 1.561 39.614 38.000 0.088 0.000 1.289 225 I HN 0.595 nan 8.210 nan 0.000 0.436 226 S N 6.871 122.689 115.700 0.196 0.000 2.596 226 S HA 0.623 5.092 4.470 -0.000 0.000 0.318 226 S C -1.162 173.589 174.600 0.252 0.000 1.097 226 S CA -0.412 57.922 58.200 0.223 0.000 1.080 226 S CB 0.467 63.846 63.200 0.297 0.000 0.991 226 S HN 0.380 nan 8.310 nan 0.000 0.471 227 F N 3.887 123.882 119.950 0.074 0.000 2.520 227 F HA 0.681 5.208 4.527 -0.000 0.000 0.322 227 F C -0.456 175.371 175.800 0.045 0.000 1.103 227 F CA -0.193 57.833 58.000 0.043 0.000 0.926 227 F CB 2.063 41.072 39.000 0.015 0.000 1.154 227 F HN 0.418 nan 8.300 nan 0.000 0.453 228 T N 4.468 118.574 114.554 -0.745 0.000 2.812 228 T HA 0.804 5.154 4.350 -0.000 0.000 0.282 228 T C -0.162 173.869 174.700 -1.114 0.000 0.990 228 T CA -0.237 61.458 62.100 -0.675 0.000 0.960 228 T CB 1.194 69.884 68.868 -0.298 0.000 0.948 228 T HN 1.129 nan 8.240 nan 0.000 0.438 229 G N 1.544 109.934 108.800 -0.683 0.000 2.367 229 G HA2 0.509 4.469 3.960 -0.000 0.000 0.272 229 G HA3 0.509 4.469 3.960 -0.000 0.000 0.272 229 G C -0.307 174.584 174.900 -0.015 0.000 1.271 229 G CA -0.312 44.569 45.100 -0.364 0.000 0.893 229 G HN 0.850 nan 8.290 nan 0.000 0.485 230 G N -0.870 107.998 108.800 0.115 0.000 2.527 230 G HA2 0.456 4.416 3.960 -0.000 0.000 0.248 230 G HA3 0.456 4.416 3.960 -0.000 0.000 0.248 230 G C 1.121 176.139 174.900 0.196 0.000 1.231 230 G CA 0.986 46.154 45.100 0.114 0.000 0.838 230 G HN 0.806 nan 8.290 nan 0.000 0.570 231 T N 0.999 115.657 114.554 0.174 0.000 2.720 231 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 231 T C 2.744 177.503 174.700 0.098 0.000 1.037 231 T CA 1.979 64.179 62.100 0.165 0.000 1.144 231 T CB -0.175 68.827 68.868 0.222 0.000 0.864 231 T HN 0.547 nan 8.240 nan 0.000 0.444 232 S N 0.376 116.133 115.700 0.094 0.000 2.368 232 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 232 S C 2.190 176.798 174.600 0.013 0.000 1.029 232 S CA 1.899 60.129 58.200 0.050 0.000 0.988 232 S CB -0.721 62.518 63.200 0.065 0.000 0.838 232 S HN 0.571 nan 8.310 nan 0.000 0.462 233 T N 1.032 115.607 114.554 0.035 0.000 2.708 233 T HA 0.020 4.370 4.350 -0.000 0.000 0.266 233 T C 1.971 176.506 174.700 -0.274 0.000 1.037 233 T CA 1.269 63.341 62.100 -0.047 0.000 1.146 233 T CB -1.239 67.695 68.868 0.109 0.000 0.865 233 T HN 0.558 nan 8.240 nan 0.000 0.435 234 G N 1.922 110.595 108.800 -0.213 0.000 2.469 234 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 234 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 234 G C 1.598 176.365 174.900 -0.222 0.000 1.150 234 G CA 1.091 45.997 45.100 -0.323 0.000 0.763 234 G HN 0.448 nan 8.290 nan 0.000 0.561 235 K N 0.396 120.730 120.400 -0.110 0.000 2.032 235 K HA -0.085 4.235 4.320 -0.000 0.000 0.209 235 K C 2.606 179.141 176.600 -0.108 0.000 1.048 235 K CA 1.517 57.754 56.287 -0.084 0.000 0.927 235 K CB -0.135 32.337 32.500 -0.045 0.000 0.712 235 K HN 0.250 nan 8.250 nan 0.000 0.441 236 K N 0.349 120.672 120.400 -0.128 0.000 2.057 236 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 236 K C 2.084 178.584 176.600 -0.166 0.000 1.049 236 K CA 1.303 57.514 56.287 -0.126 0.000 0.931 236 K CB -0.145 32.286 32.500 -0.115 0.000 0.714 236 K HN -0.069 nan 8.250 nan 0.000 0.440 237 V N 1.684 121.430 119.914 -0.281 0.000 2.261 237 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 237 V C 2.362 178.342 176.094 -0.191 0.000 1.047 237 V CA 1.747 63.862 62.300 -0.308 0.000 1.015 237 V CB -0.386 31.049 31.823 -0.647 0.000 0.642 237 V HN 0.377 nan 8.190 nan 0.000 0.446 238 M N -0.132 119.358 119.600 -0.183 0.000 2.108 238 M HA -0.225 4.255 4.480 -0.000 0.000 0.261 238 M C 2.177 178.437 176.300 -0.068 0.000 1.066 238 M CA 2.349 57.591 55.300 -0.097 0.000 1.107 238 M CB -0.309 32.246 32.600 -0.075 0.000 1.356 238 M HN 0.399 nan 8.290 nan 0.000 0.406 239 A N -1.047 121.730 122.820 -0.071 0.000 1.902 239 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 239 A C 2.168 179.728 177.584 -0.040 0.000 1.181 239 A CA 2.172 54.179 52.037 -0.049 0.000 0.623 239 A CB -1.001 17.970 19.000 -0.048 0.000 0.818 239 A HN 0.602 nan 8.150 nan 0.000 0.443 240 S N -0.308 115.362 115.700 -0.050 0.000 2.368 240 S HA -0.002 4.468 4.470 -0.000 0.000 0.224 240 S C 2.194 176.784 174.600 -0.016 0.000 1.029 240 S CA 1.490 59.671 58.200 -0.031 0.000 0.988 240 S CB -0.513 62.663 63.200 -0.039 0.000 0.838 240 S HN 0.842 nan 8.310 nan 0.000 0.462 241 A N 0.905 123.712 122.820 -0.022 0.000 1.940 241 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 241 A C 2.406 179.989 177.584 -0.001 0.000 1.176 241 A CA 2.232 54.267 52.037 -0.003 0.000 0.631 241 A CB -1.103 17.893 19.000 -0.006 0.000 0.814 241 A HN 0.610 nan 8.150 nan 0.000 0.446 242 S N 0.394 116.088 115.700 -0.011 0.000 2.335 242 S HA -0.135 4.335 4.470 -0.000 0.000 0.217 242 S C 2.338 176.935 174.600 -0.006 0.000 1.032 242 S CA 1.632 59.826 58.200 -0.009 0.000 0.985 242 S CB -0.594 62.597 63.200 -0.016 0.000 0.896 242 S HN 0.895 nan 8.310 nan 0.000 0.445 243 S N 2.320 118.015 115.700 -0.009 0.000 2.447 243 S HA -0.089 4.381 4.470 -0.000 0.000 0.233 243 S C 1.972 176.571 174.600 -0.002 0.000 1.006 243 S CA 1.189 59.385 58.200 -0.007 0.000 0.957 243 S CB -0.619 62.576 63.200 -0.009 0.000 0.773 243 S HN 0.599 nan 8.310 nan 0.000 0.507 244 S N 2.126 117.827 115.700 0.002 0.000 2.348 244 S HA 0.034 4.503 4.470 -0.000 0.000 0.219 244 S C 1.577 176.179 174.600 0.004 0.000 1.033 244 S CA 0.828 59.031 58.200 0.005 0.000 0.974 244 S CB -0.567 62.642 63.200 0.015 0.000 0.868 244 S HN 0.975 nan 8.310 nan 0.000 0.459 245 S N -0.542 115.164 115.700 0.009 0.000 3.088 245 S HA 0.411 4.881 4.470 -0.000 0.000 0.249 245 S C 0.101 174.709 174.600 0.013 0.000 0.877 245 S CA -0.293 57.914 58.200 0.011 0.000 1.184 245 S CB -0.856 62.356 63.200 0.020 0.000 1.170 245 S HN 0.446 nan 8.310 nan 0.000 0.603 246 L N 0.941 122.169 121.223 0.008 0.000 3.739 246 L HA -0.212 4.128 4.340 -0.000 0.000 0.442 246 L C 0.074 176.951 176.870 0.011 0.000 1.241 246 L CA 0.665 55.509 54.840 0.006 0.000 0.819 246 L CB -1.440 40.621 42.059 0.003 0.000 1.679 246 L HN 0.442 nan 8.230 nan 0.000 0.889 247 K N 0.678 121.088 120.400 0.016 0.000 2.319 247 K HA 0.222 4.542 4.320 -0.000 0.000 0.265 247 K C 0.701 177.308 176.600 0.011 0.000 1.000 247 K CA -0.743 55.558 56.287 0.022 0.000 0.943 247 K CB 0.529 33.049 32.500 0.034 0.000 0.950 247 K HN 0.078 nan 8.250 nan 0.000 0.485 248 E N 1.415 121.621 120.200 0.010 0.000 2.398 248 E HA 0.090 4.440 4.350 -0.000 0.000 0.263 248 E C -0.131 176.464 176.600 -0.007 0.000 1.046 248 E CA -0.081 56.316 56.400 -0.005 0.000 0.908 248 E CB 1.056 30.746 29.700 -0.016 0.000 0.963 248 E HN 0.402 nan 8.360 nan 0.000 0.431 249 V N -0.855 119.048 119.914 -0.019 0.000 3.114 249 V HA 0.727 4.847 4.120 -0.000 0.000 0.308 249 V C -0.437 175.643 176.094 -0.024 0.000 1.168 249 V CA -0.688 61.609 62.300 -0.005 0.000 1.015 249 V CB 2.420 34.246 31.823 0.006 0.000 1.050 249 V HN 0.533 nan 8.190 nan 0.000 0.433 250 T N 5.295 119.857 114.554 0.014 0.000 2.886 250 T HA 0.719 5.069 4.350 -0.000 0.000 0.292 250 T C -0.757 174.003 174.700 0.099 0.000 1.012 250 T CA -0.454 61.660 62.100 0.023 0.000 0.982 250 T CB 1.390 70.273 68.868 0.024 0.000 1.018 250 T HN 0.757 nan 8.240 nan 0.000 0.451 251 M N 3.137 122.795 119.600 0.096 0.000 2.151 251 M HA 0.433 4.913 4.480 -0.000 0.000 0.290 251 M C -1.030 175.346 176.300 0.126 0.000 0.965 251 M CA -0.770 54.628 55.300 0.163 0.000 0.930 251 M CB 1.788 34.473 32.600 0.141 0.000 1.560 251 M HN 0.473 nan 8.290 nan 0.000 0.438 252 E N 4.024 124.294 120.200 0.118 0.000 2.102 252 E HA 0.682 5.032 4.350 -0.000 0.000 0.263 252 E C -0.531 176.086 176.600 0.027 0.000 0.894 252 E CA -0.144 56.294 56.400 0.062 0.000 0.746 252 E CB 1.603 31.333 29.700 0.049 0.000 1.129 252 E HN 0.539 nan 8.360 nan 0.000 0.416 253 L N 0.372 121.624 121.223 0.047 0.000 2.535 253 L HA 0.754 5.094 4.340 -0.000 0.000 0.259 253 L C 1.101 177.943 176.870 -0.047 0.000 1.263 253 L CA -1.368 53.498 54.840 0.043 0.000 1.282 253 L CB 0.295 42.438 42.059 0.139 0.000 1.901 253 L HN 0.531 nan 8.230 nan 0.000 0.572 254 G N -1.633 107.135 108.800 -0.054 0.000 2.532 254 G HA2 0.634 4.594 3.960 -0.000 0.000 0.291 254 G HA3 0.634 4.594 3.960 -0.000 0.000 0.291 254 G C -0.764 173.917 174.900 -0.365 0.000 1.349 254 G CA -0.026 44.927 45.100 -0.245 0.000 1.038 254 G HN 0.813 nan 8.290 nan 0.000 0.518 255 G N -1.708 106.699 108.800 -0.655 0.000 2.608 255 G HA2 0.493 4.452 3.960 -0.000 0.000 0.291 255 G HA3 0.493 4.452 3.960 -0.000 0.000 0.291 255 G C -1.535 172.927 174.900 -0.730 0.000 1.425 255 G CA -0.651 43.995 45.100 -0.757 0.000 0.787 255 G HN 0.565 nan 8.290 nan 0.000 0.484 256 K N 0.676 120.861 120.400 -0.358 0.000 2.920 256 K HA 0.499 4.819 4.320 -0.000 0.000 0.175 256 K C -0.246 176.400 176.600 0.077 0.000 1.099 256 K CA -0.284 55.961 56.287 -0.071 0.000 0.939 256 K CB 0.404 32.943 32.500 0.065 0.000 1.148 256 K HN 0.397 nan 8.250 nan 0.000 0.613 257 S N 3.787 119.552 115.700 0.108 0.000 2.528 257 S HA 0.288 4.758 4.470 -0.000 0.000 0.277 257 S C -2.376 172.379 174.600 0.258 0.000 1.297 257 S CA -0.906 57.428 58.200 0.224 0.000 1.052 257 S CB 0.598 64.011 63.200 0.354 0.000 0.917 257 S HN 0.412 nan 8.310 nan 0.000 0.492 258 P HA 0.333 nan 4.420 nan 0.000 0.285 258 P C -1.099 176.400 177.300 0.331 0.000 1.259 258 P CA -0.704 62.588 63.100 0.319 0.000 0.794 258 P CB 0.837 32.707 31.700 0.284 0.000 0.940 259 L N 4.937 126.288 121.223 0.213 0.000 2.316 259 L HA 0.487 4.827 4.340 -0.000 0.000 0.280 259 L C -0.849 176.084 176.870 0.105 0.000 1.006 259 L CA -0.548 54.375 54.840 0.137 0.000 0.836 259 L CB 0.536 42.487 42.059 -0.180 0.000 1.221 259 L HN 0.221 nan 8.230 nan 0.000 0.418 260 I N 6.538 127.118 120.570 0.016 0.000 2.328 260 I HA 0.349 4.518 4.170 -0.000 0.000 0.287 260 I C -0.360 175.574 176.117 -0.305 0.000 1.012 260 I CA -0.349 60.812 61.300 -0.232 0.000 1.195 260 I CB 1.186 38.839 38.000 -0.578 0.000 1.350 260 I HN 0.504 nan 8.210 nan 0.000 0.464 261 I N 6.583 127.011 120.570 -0.237 0.000 2.301 261 I HA 0.253 4.423 4.170 -0.000 0.000 0.292 261 I C -0.160 175.890 176.117 -0.112 0.000 1.046 261 I CA -0.200 61.009 61.300 -0.152 0.000 1.282 261 I CB 0.319 38.173 38.000 -0.244 0.000 1.409 261 I HN 0.343 nan 8.210 nan 0.000 0.484 262 F N 7.777 127.788 119.950 0.100 0.000 2.368 262 F HA 0.310 4.833 4.527 -0.007 0.000 0.315 262 F C -1.237 174.607 175.800 0.074 0.000 1.145 262 F CA -1.682 56.400 58.000 0.137 0.000 1.095 262 F CB 0.033 39.082 39.000 0.080 0.000 1.286 262 F HN 0.333 nan 8.300 nan 0.000 0.530 263 P HA -0.125 nan 4.420 nan 0.000 0.219 263 P C 0.890 178.226 177.300 0.060 0.000 1.150 263 P CA 1.291 64.431 63.100 0.066 0.000 0.814 263 P CB -0.059 31.589 31.700 -0.086 0.000 0.787 264 D N 0.130 120.578 120.400 0.081 0.000 2.310 264 D HA -0.055 4.585 4.640 -0.000 0.000 0.212 264 D C 0.698 177.040 176.300 0.070 0.000 0.965 264 D CA 0.226 54.259 54.000 0.055 0.000 0.879 264 D CB -1.016 39.805 40.800 0.034 0.000 0.921 264 D HN 0.050 nan 8.370 nan 0.000 0.510 265 A N 0.852 123.734 122.820 0.103 0.000 2.561 265 A HA -0.008 4.312 4.320 -0.000 0.000 0.234 265 A C 0.378 178.011 177.584 0.082 0.000 1.055 265 A CA 0.005 52.102 52.037 0.100 0.000 0.756 265 A CB 0.047 19.117 19.000 0.115 0.000 0.986 265 A HN 0.228 nan 8.150 nan 0.000 0.505 266 D N 1.932 122.378 120.400 0.077 0.000 2.371 266 D HA 0.131 4.771 4.640 -0.000 0.000 0.256 266 D C 0.870 177.228 176.300 0.096 0.000 1.193 266 D CA -0.033 54.011 54.000 0.073 0.000 0.881 266 D CB 0.619 41.455 40.800 0.060 0.000 1.143 266 D HN 0.500 nan 8.370 nan 0.000 0.473 267 L N 3.135 124.420 121.223 0.104 0.000 2.313 267 L HA -0.089 4.251 4.340 -0.000 0.000 0.214 267 L C 1.730 178.677 176.870 0.129 0.000 1.119 267 L CA 0.329 55.261 54.840 0.155 0.000 0.809 267 L CB -0.078 42.081 42.059 0.167 0.000 0.933 267 L HN 0.399 nan 8.230 nan 0.000 0.449 268 D N 0.240 120.688 120.400 0.080 0.000 2.097 268 D HA -0.201 4.439 4.640 -0.000 0.000 0.195 268 D C 2.199 178.538 176.300 0.065 0.000 0.989 268 D CA 1.104 55.137 54.000 0.055 0.000 0.827 268 D CB -0.025 40.797 40.800 0.038 0.000 0.966 268 D HN 0.192 nan 8.370 nan 0.000 0.456 269 R N 0.620 121.164 120.500 0.074 0.000 2.066 269 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 269 R C 2.161 178.523 176.300 0.104 0.000 1.131 269 R CA 1.296 57.442 56.100 0.076 0.000 0.955 269 R CB -0.168 30.174 30.300 0.069 0.000 0.851 269 R HN 0.074 nan 8.270 nan 0.000 0.432 270 A N 0.592 123.498 122.820 0.143 0.000 1.978 270 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 270 A C 2.247 180.012 177.584 0.303 0.000 1.170 270 A CA 1.746 53.903 52.037 0.201 0.000 0.636 270 A CB -0.534 18.584 19.000 0.196 0.000 0.810 270 A HN 0.539 nan 8.150 nan 0.000 0.448 271 A N -0.327 122.641 122.820 0.247 0.000 1.930 271 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 271 A C 1.753 179.365 177.584 0.048 0.000 1.176 271 A CA 1.531 53.626 52.037 0.098 0.000 0.632 271 A CB -0.401 18.560 19.000 -0.065 0.000 0.819 271 A HN 0.419 nan 8.150 nan 0.000 0.445 272 D N 0.328 120.759 120.400 0.052 0.000 2.117 272 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 272 D C 1.850 178.169 176.300 0.033 0.000 0.987 272 D CA 1.194 55.217 54.000 0.039 0.000 0.829 272 D CB -0.301 40.520 40.800 0.035 0.000 0.961 272 D HN 0.519 nan 8.370 nan 0.000 0.460 273 I N 1.110 121.705 120.570 0.042 0.000 2.179 273 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 273 I C 2.521 178.590 176.117 -0.080 0.000 1.088 273 I CA 1.040 62.349 61.300 0.014 0.000 1.357 273 I CB -0.253 37.789 38.000 0.069 0.000 1.051 273 I HN -0.080 nan 8.210 nan 0.000 0.409 274 A N 0.725 123.531 122.820 -0.024 0.000 1.883 274 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 274 A C 2.456 179.978 177.584 -0.103 0.000 1.186 274 A CA 2.332 54.327 52.037 -0.070 0.000 0.624 274 A CB -1.163 17.938 19.000 0.169 0.000 0.822 274 A HN 0.399 nan 8.150 nan 0.000 0.444 275 V N -3.188 116.733 119.914 0.012 0.000 2.453 275 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 275 V C 2.156 178.324 176.094 0.124 0.000 1.048 275 V CA 2.014 64.404 62.300 0.150 0.000 1.049 275 V CB -0.733 31.236 31.823 0.244 0.000 0.672 275 V HN 0.400 nan 8.190 nan 0.000 0.457 276 M N 1.003 120.632 119.600 0.048 0.000 2.229 276 M HA 0.113 4.593 4.480 -0.000 0.000 0.264 276 M C 2.300 178.576 176.300 -0.039 0.000 1.063 276 M CA 1.925 57.257 55.300 0.053 0.000 1.114 276 M CB -1.293 31.303 32.600 -0.006 0.000 1.387 276 M HN 0.592 nan 8.290 nan 0.000 0.420 277 A N -0.321 122.347 122.820 -0.252 0.000 2.235 277 A HA -0.032 4.288 4.320 -0.000 0.000 0.208 277 A C 1.772 179.126 177.584 -0.383 0.000 1.172 277 A CA 0.953 52.663 52.037 -0.545 0.000 0.786 277 A CB -0.371 17.868 19.000 -1.268 0.000 0.804 277 A HN 0.541 nan 8.150 nan 0.000 0.479 278 N N -2.298 116.174 118.700 -0.380 0.000 2.325 278 N HA 0.150 4.890 4.740 -0.000 0.000 0.220 278 N C -0.129 175.043 175.510 -0.563 0.000 1.176 278 N CA 0.484 53.158 53.050 -0.627 0.000 0.861 278 N CB 0.520 38.310 38.487 -1.162 0.000 1.230 278 N HN 0.418 nan 8.380 nan 0.000 0.479 279 F N -0.207 119.842 119.950 0.165 0.000 2.746 279 F HA 0.360 4.887 4.527 -0.001 0.000 0.320 279 F C 0.303 176.289 175.800 0.310 0.000 1.097 279 F CA -0.802 57.371 58.000 0.289 0.000 1.195 279 F CB -0.163 38.987 39.000 0.251 0.000 1.056 279 F HN -0.169 nan 8.300 nan 0.000 0.562 280 F N 1.239 121.317 119.950 0.212 0.000 2.518 280 F HA 0.310 4.837 4.527 0.001 0.000 0.359 280 F C 1.466 177.322 175.800 0.092 0.000 1.118 280 F CA 0.295 58.388 58.000 0.155 0.000 1.287 280 F CB 0.566 39.641 39.000 0.125 0.000 1.132 280 F HN 0.058 nan 8.300 nan 0.000 0.587 281 S N 2.288 117.729 115.700 -0.432 0.000 3.521 281 S HA -0.258 4.212 4.470 -0.000 0.000 0.328 281 S C 0.476 174.881 174.600 -0.325 0.000 1.165 281 S CA 0.854 58.841 58.200 -0.355 0.000 0.941 281 S CB -2.027 61.102 63.200 -0.119 0.000 0.951 281 S HN 1.028 nan 8.310 nan 0.000 0.539 282 S N -1.627 113.818 115.700 -0.424 0.000 3.641 282 S HA -0.099 4.371 4.470 -0.000 0.000 0.346 282 S C 1.440 175.942 174.600 -0.163 0.000 1.074 282 S CA 1.089 58.881 58.200 -0.680 0.000 1.026 282 S CB -1.842 60.803 63.200 -0.926 0.000 0.908 282 S HN 2.483 nan 8.310 nan 0.000 0.479 283 G N 0.007 108.831 108.800 0.039 0.000 2.143 283 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.249 283 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.249 283 G C -0.145 174.719 174.900 -0.059 0.000 0.981 283 G CA 0.404 45.539 45.100 0.059 0.000 0.665 283 G HN 0.681 nan 8.290 nan 0.000 0.528 284 Q N -0.018 119.674 119.800 -0.179 0.000 2.553 284 Q HA 0.506 4.846 4.340 -0.000 0.000 0.395 284 Q C -0.383 175.480 176.000 -0.228 0.000 0.971 284 Q CA -0.227 55.206 55.803 -0.617 0.000 1.090 284 Q CB 1.608 30.039 28.738 -0.512 0.000 1.328 284 Q HN 0.315 nan 8.270 nan 0.000 0.413 285 V N -0.406 119.630 119.914 0.203 0.000 2.483 285 V HA 0.097 4.217 4.120 -0.000 0.000 0.297 285 V C 0.881 177.255 176.094 0.468 0.000 1.027 285 V CA -0.760 61.769 62.300 0.381 0.000 0.855 285 V CB 1.467 33.480 31.823 0.318 0.000 0.995 285 V HN 0.589 nan 8.190 nan 0.000 0.424 286 C N 2.163 121.666 119.300 0.338 0.000 2.411 286 C HA -0.122 4.338 4.460 -0.000 0.000 0.279 286 C C 2.587 177.637 174.990 0.100 0.000 1.288 286 C CA 1.705 60.769 59.018 0.077 0.000 1.764 286 C CB -1.053 26.620 27.740 -0.111 0.000 1.974 286 C HN 1.018 nan 8.230 nan 0.000 0.498 287 T N -1.866 112.807 114.554 0.199 0.000 3.169 287 T HA 0.039 4.388 4.350 -0.000 0.000 0.250 287 T C 0.291 175.301 174.700 0.517 0.000 1.111 287 T CA -0.044 62.236 62.100 0.301 0.000 1.010 287 T CB -0.655 68.430 68.868 0.363 0.000 0.984 287 T HN 0.359 nan 8.240 nan 0.000 0.537 288 N N 2.515 121.445 118.700 0.385 0.000 2.412 288 N HA 0.259 4.999 4.740 -0.000 0.000 0.254 288 N C 0.691 176.331 175.510 0.217 0.000 1.232 288 N CA 0.283 53.520 53.050 0.312 0.000 0.880 288 N CB 0.556 39.132 38.487 0.149 0.000 1.076 288 N HN 0.505 nan 8.380 nan 0.000 0.458 289 G N 0.727 109.458 108.800 -0.114 0.000 3.101 289 G HA2 0.070 4.030 3.960 -0.000 0.000 0.272 289 G HA3 0.070 4.030 3.960 -0.000 0.000 0.272 289 G C 1.101 175.839 174.900 -0.271 0.000 0.801 289 G CA -0.281 44.588 45.100 -0.385 0.000 1.978 289 G HN 0.636 nan 8.290 nan 0.000 0.591 290 T N -1.389 113.103 114.554 -0.104 0.000 3.088 290 T HA 0.128 4.478 4.350 -0.000 0.000 0.259 290 T C 1.089 175.729 174.700 -0.101 0.000 1.122 290 T CA 0.101 62.137 62.100 -0.106 0.000 1.095 290 T CB 0.297 69.130 68.868 -0.059 0.000 0.930 290 T HN 0.316 nan 8.240 nan 0.000 0.508 291 R N 1.241 121.689 120.500 -0.086 0.000 2.288 291 R HA 0.577 4.916 4.340 -0.000 0.000 0.326 291 R C -1.480 174.700 176.300 -0.199 0.000 0.959 291 R CA -0.529 55.469 56.100 -0.169 0.000 0.834 291 R CB 1.994 32.221 30.300 -0.122 0.000 1.157 291 R HN 0.109 nan 8.270 nan 0.000 0.470 292 V N 5.139 124.899 119.914 -0.256 0.000 2.311 292 V HA 0.310 4.430 4.120 -0.000 0.000 0.275 292 V C -0.423 175.514 176.094 -0.261 0.000 1.022 292 V CA -0.601 61.598 62.300 -0.167 0.000 0.830 292 V CB 0.442 32.249 31.823 -0.026 0.000 1.012 292 V HN 0.544 nan 8.190 nan 0.000 0.452 293 F N 5.505 125.396 119.950 -0.099 0.000 2.411 293 F HA 0.582 5.108 4.527 -0.003 0.000 0.355 293 F C 0.056 175.839 175.800 -0.030 0.000 1.117 293 F CA -0.339 57.637 58.000 -0.040 0.000 1.139 293 F CB 1.296 40.209 39.000 -0.144 0.000 1.120 293 F HN 0.342 nan 8.300 nan 0.000 0.493 294 I N 3.230 123.884 120.570 0.140 0.000 2.509 294 I HA 0.307 4.477 4.170 -0.000 0.000 0.293 294 I C -0.374 175.633 176.117 -0.183 0.000 1.020 294 I CA -0.750 60.518 61.300 -0.053 0.000 1.088 294 I CB 1.068 38.888 38.000 -0.300 0.000 1.267 294 I HN 0.530 nan 8.210 nan 0.000 0.430 295 H N 5.268 124.061 119.070 -0.461 0.000 2.897 295 H HA 0.131 4.698 4.556 0.018 0.000 0.347 295 H C 1.441 176.555 175.328 -0.357 0.000 1.068 295 H CA 1.002 56.596 56.048 -0.756 0.000 1.426 295 H CB 0.780 30.255 29.762 -0.479 0.000 1.410 295 H HN 0.613 nan 8.280 nan 0.000 0.597 296 R N 2.056 122.129 120.500 -0.712 0.000 2.119 296 R HA -0.209 4.131 4.340 -0.000 0.000 0.246 296 R C 1.754 178.024 176.300 -0.051 0.000 1.146 296 R CA 2.107 58.021 56.100 -0.310 0.000 0.962 296 R CB -0.359 29.741 30.300 -0.333 0.000 0.863 296 R HN 0.724 nan 8.270 nan 0.000 0.442 297 S N -0.868 114.933 115.700 0.169 0.000 2.562 297 S HA -0.012 4.457 4.470 -0.000 0.000 0.221 297 S C 1.312 175.971 174.600 0.099 0.000 0.975 297 S CA 0.315 58.604 58.200 0.148 0.000 0.918 297 S CB 0.327 63.628 63.200 0.169 0.000 0.772 297 S HN 0.520 nan 8.310 nan 0.000 0.531 298 Q N 0.128 119.988 119.800 0.100 0.000 2.247 298 Q HA 0.204 4.544 4.340 -0.000 0.000 0.211 298 Q C 1.886 177.949 176.000 0.104 0.000 0.861 298 Q CA -0.130 55.722 55.803 0.081 0.000 0.949 298 Q CB 0.014 28.792 28.738 0.066 0.000 1.115 298 Q HN 0.669 nan 8.270 nan 0.000 0.507 299 Q N 1.361 121.207 119.800 0.076 0.000 2.077 299 Q HA -0.229 4.110 4.340 -0.000 0.000 0.206 299 Q C 1.916 177.994 176.000 0.130 0.000 0.989 299 Q CA 1.772 57.639 55.803 0.108 0.000 0.853 299 Q CB -0.038 28.730 28.738 0.049 0.000 0.907 299 Q HN 0.402 nan 8.270 nan 0.000 0.418 300 A N 0.923 123.791 122.820 0.081 0.000 1.883 300 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 300 A C 2.080 179.701 177.584 0.062 0.000 1.186 300 A CA 1.756 53.828 52.037 0.058 0.000 0.624 300 A CB -0.499 18.523 19.000 0.038 0.000 0.822 300 A HN 0.390 nan 8.150 nan 0.000 0.444 301 R N -2.140 118.409 120.500 0.081 0.000 2.090 301 R HA -0.002 4.338 4.340 -0.000 0.000 0.228 301 R C 1.956 178.321 176.300 0.108 0.000 1.110 301 R CA 1.272 57.418 56.100 0.077 0.000 0.973 301 R CB -0.453 29.893 30.300 0.077 0.000 0.869 301 R HN 0.568 nan 8.270 nan 0.000 0.440 302 F N 2.250 122.206 119.950 0.011 0.000 2.095 302 F HA -0.190 4.336 4.527 -0.001 0.000 0.298 302 F C 1.828 177.630 175.800 0.004 0.000 1.104 302 F CA 1.639 59.646 58.000 0.011 0.000 1.232 302 F CB -0.101 38.910 39.000 0.018 0.000 0.987 302 F HN -0.022 nan 8.300 nan 0.000 0.475 303 E N 0.069 120.248 120.200 -0.035 0.000 2.118 303 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 303 E C 2.368 178.876 176.600 -0.154 0.000 0.992 303 E CA 1.040 57.364 56.400 -0.127 0.000 0.804 303 E CB -0.435 29.260 29.700 -0.009 0.000 0.741 303 E HN 0.513 nan 8.360 nan 0.000 0.458 304 A N 1.520 124.283 122.820 -0.095 0.000 1.877 304 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 304 A C 1.983 179.494 177.584 -0.121 0.000 1.186 304 A CA 1.574 53.559 52.037 -0.086 0.000 0.620 304 A CB -0.284 18.689 19.000 -0.045 0.000 0.822 304 A HN 0.031 nan 8.150 nan 0.000 0.443 305 K N -0.558 119.757 120.400 -0.142 0.000 2.097 305 K HA -0.028 4.292 4.320 -0.000 0.000 0.205 305 K C 1.826 178.298 176.600 -0.214 0.000 1.050 305 K CA 1.179 57.376 56.287 -0.149 0.000 0.938 305 K CB -0.273 32.164 32.500 -0.104 0.000 0.718 305 K HN 0.280 nan 8.250 nan 0.000 0.442 306 V N 1.409 121.111 119.914 -0.353 0.000 2.295 306 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 306 V C 2.124 178.099 176.094 -0.198 0.000 1.049 306 V CA 1.639 63.747 62.300 -0.320 0.000 1.024 306 V CB -0.370 31.174 31.823 -0.465 0.000 0.648 306 V HN 0.290 nan 8.190 nan 0.000 0.447 307 L N 0.478 121.591 121.223 -0.183 0.000 2.017 307 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 307 L C 2.490 179.273 176.870 -0.146 0.000 1.073 307 L CA 2.519 57.264 54.840 -0.157 0.000 0.745 307 L CB -0.806 41.173 42.059 -0.133 0.000 0.894 307 L HN 0.504 nan 8.230 nan 0.000 0.432 308 E N -0.522 119.603 120.200 -0.125 0.000 2.130 308 E HA -0.304 4.046 4.350 -0.000 0.000 0.196 308 E C 2.270 178.806 176.600 -0.107 0.000 0.998 308 E CA 1.565 57.902 56.400 -0.104 0.000 0.806 308 E CB -0.048 29.601 29.700 -0.085 0.000 0.738 308 E HN 0.537 nan 8.360 nan 0.000 0.459 309 R N -0.309 120.123 120.500 -0.113 0.000 2.075 309 R HA -0.032 4.308 4.340 -0.000 0.000 0.226 309 R C 2.494 178.703 176.300 -0.152 0.000 1.114 309 R CA 1.085 57.123 56.100 -0.103 0.000 0.972 309 R CB -0.031 30.226 30.300 -0.072 0.000 0.869 309 R HN 0.074 nan 8.270 nan 0.000 0.437 310 V N 1.365 121.156 119.914 -0.204 0.000 2.343 310 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 310 V C 2.191 178.096 176.094 -0.314 0.000 1.051 310 V CA 1.702 63.800 62.300 -0.337 0.000 1.036 310 V CB -0.574 31.017 31.823 -0.386 0.000 0.654 310 V HN 0.361 nan 8.190 nan 0.000 0.451 311 Q N 0.329 119.993 119.800 -0.228 0.000 2.197 311 Q HA -0.239 4.101 4.340 -0.000 0.000 0.207 311 Q C 2.229 178.125 176.000 -0.174 0.000 0.984 311 Q CA 1.843 57.531 55.803 -0.192 0.000 0.869 311 Q CB -0.229 28.423 28.738 -0.143 0.000 0.906 311 Q HN 0.763 nan 8.270 nan 0.000 0.426 312 R N 0.103 120.509 120.500 -0.157 0.000 2.393 312 R HA 0.210 4.550 4.340 -0.000 0.000 0.244 312 R C 0.209 176.433 176.300 -0.127 0.000 0.920 312 R CA -0.173 55.855 56.100 -0.120 0.000 1.076 312 R CB -0.042 30.207 30.300 -0.084 0.000 1.119 312 R HN 0.052 nan 8.270 nan 0.000 0.524 313 I N 3.032 123.484 120.570 -0.196 0.000 2.668 313 I HA -0.016 4.154 4.170 -0.000 0.000 0.285 313 I C 0.447 176.461 176.117 -0.172 0.000 1.168 313 I CA 0.214 61.386 61.300 -0.214 0.000 1.424 313 I CB 0.568 38.312 38.000 -0.426 0.000 1.377 313 I HN 0.095 nan 8.210 nan 0.000 0.560 314 R N 6.933 127.391 120.500 -0.070 0.000 3.235 314 R HA 0.266 4.606 4.340 -0.000 0.000 0.232 314 R C -0.343 175.975 176.300 0.029 0.000 1.475 314 R CA -0.560 55.524 56.100 -0.026 0.000 1.405 314 R CB 0.092 30.397 30.300 0.008 0.000 1.266 314 R HN 0.557 nan 8.270 nan 0.000 0.650 315 L N 1.675 122.883 121.223 -0.026 0.000 2.499 315 L HA 0.254 4.594 4.340 -0.000 0.000 0.273 315 L C 0.316 177.188 176.870 0.005 0.000 1.195 315 L CA 0.774 55.649 54.840 0.057 0.000 0.882 315 L CB 0.403 42.411 42.059 -0.086 0.000 1.133 315 L HN 0.649 nan 8.230 nan 0.000 0.483 316 G N 3.244 112.132 108.800 0.147 0.000 2.428 316 G HA2 0.054 4.014 3.960 -0.000 0.000 0.305 316 G HA3 0.054 4.014 3.960 -0.000 0.000 0.305 316 G C -1.713 173.422 174.900 0.392 0.000 1.260 316 G CA -0.666 44.600 45.100 0.276 0.000 0.853 316 G HN 0.511 nan 8.290 nan 0.000 0.480 317 D N 1.368 121.959 120.400 0.319 0.000 2.451 317 D HA 0.190 4.830 4.640 -0.000 0.000 0.254 317 D C -0.668 175.723 176.300 0.152 0.000 1.204 317 D CA -1.500 52.638 54.000 0.230 0.000 0.896 317 D CB 1.567 42.431 40.800 0.106 0.000 1.136 317 D HN 0.019 nan 8.370 nan 0.000 0.499 318 P HA -0.154 nan 4.420 nan 0.000 0.225 318 P C 0.952 178.267 177.300 0.026 0.000 1.148 318 P CA 0.962 64.088 63.100 0.042 0.000 0.779 318 P CB 0.326 32.018 31.700 -0.014 0.000 0.780 319 Q N -0.746 119.077 119.800 0.037 0.000 2.435 319 Q HA -0.035 4.305 4.340 -0.000 0.000 0.207 319 Q C 0.703 176.719 176.000 0.027 0.000 0.956 319 Q CA 0.230 56.049 55.803 0.026 0.000 0.917 319 Q CB -0.084 28.669 28.738 0.024 0.000 0.997 319 Q HN 0.244 nan 8.270 nan 0.000 0.497 320 D N 0.652 121.075 120.400 0.037 0.000 2.295 320 D HA -0.013 4.627 4.640 -0.000 0.000 0.248 320 D C 0.371 176.691 176.300 0.033 0.000 1.154 320 D CA 0.139 54.160 54.000 0.034 0.000 0.857 320 D CB 1.052 41.877 40.800 0.042 0.000 1.117 320 D HN 0.099 nan 8.370 nan 0.000 0.468 321 E N 2.732 122.948 120.200 0.026 0.000 2.160 321 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 321 E C 0.957 177.575 176.600 0.031 0.000 0.991 321 E CA 0.776 57.191 56.400 0.026 0.000 0.810 321 E CB 0.048 29.761 29.700 0.023 0.000 0.742 321 E HN 0.407 nan 8.360 nan 0.000 0.466 322 N N 0.391 119.110 118.700 0.032 0.000 2.550 322 N HA -0.042 4.698 4.740 -0.000 0.000 0.186 322 N C -0.334 175.202 175.510 0.043 0.000 1.110 322 N CA 0.514 53.584 53.050 0.034 0.000 0.912 322 N CB 0.127 38.631 38.487 0.028 0.000 0.968 322 N HN -0.022 nan 8.380 nan 0.000 0.448 323 T N 0.734 115.318 114.554 0.051 0.000 2.901 323 T HA 0.098 4.448 4.350 -0.000 0.000 0.301 323 T C 0.846 175.579 174.700 0.055 0.000 1.012 323 T CA -0.239 61.901 62.100 0.066 0.000 1.135 323 T CB 0.594 69.513 68.868 0.085 0.000 0.936 323 T HN 0.402 nan 8.240 nan 0.000 0.539 324 N N 1.104 119.851 118.700 0.078 0.000 2.240 324 N HA 0.188 4.928 4.740 -0.000 0.000 0.240 324 N C -0.878 174.720 175.510 0.147 0.000 1.277 324 N CA -0.516 52.580 53.050 0.077 0.000 0.873 324 N CB 0.251 38.794 38.487 0.093 0.000 1.222 324 N HN 0.509 nan 8.380 nan 0.000 0.507 325 F N 0.238 120.162 119.950 -0.044 0.000 2.839 325 F HA 0.664 5.191 4.527 -0.000 0.000 0.344 325 F C -0.027 175.775 175.800 0.003 0.000 1.242 325 F CA -0.750 57.223 58.000 -0.045 0.000 1.091 325 F CB 1.075 40.046 39.000 -0.049 0.000 1.374 325 F HN 0.075 nan 8.300 nan 0.000 0.553 326 G N 4.156 112.795 108.800 -0.269 0.000 2.828 326 G HA2 0.699 4.659 3.960 -0.000 0.000 0.244 326 G HA3 0.699 4.659 3.960 -0.000 0.000 0.244 326 G C -2.960 171.716 174.900 -0.373 0.000 1.365 326 G CA -1.743 43.272 45.100 -0.142 0.000 1.041 326 G HN 0.319 nan 8.290 nan 0.000 0.560 327 P HA 0.223 nan 4.420 nan 0.000 0.272 327 P C 0.210 177.192 177.300 -0.529 0.000 1.240 327 P CA -0.366 62.202 63.100 -0.887 0.000 0.791 327 P CB 0.744 31.766 31.700 -1.130 0.000 0.978 328 L N 0.625 121.595 121.223 -0.423 0.000 2.474 328 L HA 0.045 4.385 4.340 -0.000 0.000 0.259 328 L C 2.228 178.891 176.870 -0.344 0.000 1.232 328 L CA -0.235 54.426 54.840 -0.297 0.000 0.821 328 L CB -0.160 41.806 42.059 -0.155 0.000 1.108 328 L HN 0.135 nan 8.230 nan 0.000 0.495 329 V N -0.025 119.689 119.914 -0.333 0.000 2.759 329 V HA -0.087 4.033 4.120 -0.000 0.000 0.256 329 V C 0.877 176.745 176.094 -0.376 0.000 1.080 329 V CA 1.590 63.664 62.300 -0.377 0.000 1.101 329 V CB 0.142 31.632 31.823 -0.556 0.000 0.698 329 V HN 0.934 nan 8.190 nan 0.000 0.477 330 S N -3.277 112.198 115.700 -0.375 0.000 2.567 330 S HA 0.420 4.890 4.470 -0.000 0.000 0.270 330 S C -0.077 174.360 174.600 -0.271 0.000 1.152 330 S CA -0.443 57.585 58.200 -0.287 0.000 0.835 330 S CB 0.676 63.751 63.200 -0.209 0.000 1.115 330 S HN 0.030 nan 8.310 nan 0.000 0.459 331 F N 0.988 120.897 119.950 -0.070 0.000 2.075 331 F HA 0.165 4.693 4.527 0.000 0.000 0.297 331 F C -0.744 175.039 175.800 -0.029 0.000 1.113 331 F CA 1.393 59.369 58.000 -0.040 0.000 1.218 331 F CB -1.947 37.038 39.000 -0.025 0.000 0.984 331 F HN 0.427 nan 8.300 nan 0.000 0.472 332 P HA -0.231 nan 4.420 nan 0.000 0.216 332 P C 1.293 178.630 177.300 0.062 0.000 1.157 332 P CA 1.969 65.118 63.100 0.082 0.000 0.880 332 P CB -0.135 31.599 31.700 0.056 0.000 0.791 333 H N -1.211 117.806 119.070 -0.088 0.000 2.353 333 H HA -0.083 4.473 4.556 -0.000 0.000 0.300 333 H C 2.020 177.322 175.328 -0.044 0.000 1.090 333 H CA 1.728 57.714 56.048 -0.103 0.000 1.327 333 H CB -0.890 28.697 29.762 -0.291 0.000 1.383 333 H HN -0.066 nan 8.280 nan 0.000 0.508 334 M N 0.183 119.707 119.600 -0.127 0.000 2.082 334 M HA -0.251 4.229 4.480 -0.000 0.000 0.258 334 M C 1.956 178.226 176.300 -0.051 0.000 1.069 334 M CA 2.348 57.578 55.300 -0.116 0.000 1.102 334 M CB -0.079 32.469 32.600 -0.086 0.000 1.336 334 M HN 0.318 nan 8.290 nan 0.000 0.404 335 E N -0.125 120.076 120.200 0.002 0.000 2.097 335 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 335 E C 2.050 178.653 176.600 0.006 0.000 1.000 335 E CA 1.961 58.375 56.400 0.022 0.000 0.804 335 E CB -0.230 29.495 29.700 0.042 0.000 0.740 335 E HN 0.561 nan 8.360 nan 0.000 0.454 336 S N -0.630 115.065 115.700 -0.008 0.000 2.382 336 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 336 S C 1.976 176.632 174.600 0.093 0.000 1.027 336 S CA 1.134 59.350 58.200 0.028 0.000 0.991 336 S CB -0.141 63.101 63.200 0.071 0.000 0.823 336 S HN 0.118 nan 8.310 nan 0.000 0.469 337 V N 2.025 121.941 119.914 0.003 0.000 2.427 337 V HA -0.065 4.055 4.120 -0.000 0.000 0.248 337 V C 2.284 178.459 176.094 0.135 0.000 1.051 337 V CA 1.529 63.878 62.300 0.081 0.000 1.048 337 V CB -0.651 31.140 31.823 -0.054 0.000 0.666 337 V HN 0.486 nan 8.190 nan 0.000 0.456 338 L N 0.451 121.719 121.223 0.075 0.000 2.275 338 L HA -0.031 4.309 4.340 -0.000 0.000 0.215 338 L C 2.489 179.402 176.870 0.072 0.000 1.119 338 L CA 1.420 56.309 54.840 0.080 0.000 0.790 338 L CB -0.916 41.176 42.059 0.055 0.000 0.919 338 L HN 0.460 nan 8.230 nan 0.000 0.443 339 G N -1.370 107.449 108.800 0.033 0.000 2.430 339 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 339 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 339 G C 1.275 176.127 174.900 -0.081 0.000 1.146 339 G CA 0.117 45.188 45.100 -0.048 0.000 0.793 339 G HN 0.210 nan 8.290 nan 0.000 0.537 340 Y N 0.653 120.969 120.300 0.026 0.000 2.242 340 Y HA 0.080 4.630 4.550 0.001 0.000 0.291 340 Y C 2.641 178.553 175.900 0.021 0.000 1.137 340 Y CA 0.559 58.669 58.100 0.017 0.000 1.181 340 Y CB -0.116 38.362 38.460 0.031 0.000 0.989 340 Y HN 0.123 nan 8.280 nan 0.000 0.527 341 I N -0.270 120.444 120.570 0.240 0.000 2.179 341 I HA -0.269 3.900 4.170 -0.000 0.000 0.242 341 I C 2.172 178.417 176.117 0.214 0.000 1.088 341 I CA 1.346 62.812 61.300 0.277 0.000 1.357 341 I CB -0.251 37.902 38.000 0.254 0.000 1.051 341 I HN 0.199 nan 8.210 nan 0.000 0.409 342 E N 0.226 120.500 120.200 0.123 0.000 2.110 342 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 342 E C 2.218 178.840 176.600 0.036 0.000 0.988 342 E CA 1.465 57.913 56.400 0.080 0.000 0.804 342 E CB -0.462 29.265 29.700 0.044 0.000 0.745 342 E HN 0.403 nan 8.360 nan 0.000 0.458 343 S N 0.638 116.339 115.700 0.002 0.000 2.365 343 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 343 S C 2.171 176.727 174.600 -0.072 0.000 1.039 343 S CA 1.871 60.053 58.200 -0.030 0.000 1.033 343 S CB -0.606 62.575 63.200 -0.031 0.000 0.887 343 S HN 0.356 nan 8.310 nan 0.000 0.447 344 G N 1.328 110.026 108.800 -0.170 0.000 2.459 344 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 344 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 344 G C 1.537 176.320 174.900 -0.195 0.000 1.183 344 G CA 1.062 45.853 45.100 -0.514 0.000 0.776 344 G HN 0.616 nan 8.290 nan 0.000 0.552 345 K N 0.699 121.161 120.400 0.103 0.000 2.009 345 K HA 0.013 4.332 4.320 -0.000 0.000 0.210 345 K C 2.957 179.606 176.600 0.081 0.000 1.049 345 K CA 1.125 57.526 56.287 0.189 0.000 0.929 345 K CB -0.385 32.229 32.500 0.190 0.000 0.714 345 K HN 0.248 nan 8.250 nan 0.000 0.440 346 A N 1.500 124.346 122.820 0.043 0.000 1.986 346 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 346 A C 1.809 179.399 177.584 0.009 0.000 1.171 346 A CA 1.546 53.596 52.037 0.021 0.000 0.640 346 A CB -0.392 18.613 19.000 0.008 0.000 0.811 346 A HN 0.371 nan 8.150 nan 0.000 0.451 347 Q N -1.549 118.246 119.800 -0.008 0.000 2.320 347 Q HA 0.129 4.469 4.340 -0.000 0.000 0.201 347 Q C -0.513 175.486 176.000 -0.002 0.000 0.910 347 Q CA 0.140 55.934 55.803 -0.015 0.000 0.946 347 Q CB 0.242 28.956 28.738 -0.040 0.000 1.062 347 Q HN 0.657 nan 8.270 nan 0.000 0.503 348 K N -0.973 119.441 120.400 0.025 0.000 3.192 348 K HA -0.175 4.145 4.320 -0.000 0.000 0.278 348 K C -0.430 176.210 176.600 0.065 0.000 1.164 348 K CA 0.326 56.642 56.287 0.049 0.000 0.816 348 K CB -1.804 30.716 32.500 0.034 0.000 1.256 348 K HN 0.298 nan 8.250 nan 0.000 0.497 349 A N 1.463 124.329 122.820 0.077 0.000 2.425 349 A HA 0.323 4.643 4.320 -0.000 0.000 0.249 349 A C 0.326 178.073 177.584 0.271 0.000 1.084 349 A CA -0.208 51.915 52.037 0.143 0.000 0.781 349 A CB 0.405 19.442 19.000 0.063 0.000 1.019 349 A HN 0.354 nan 8.150 nan 0.000 0.490 350 R N 1.901 122.522 120.500 0.202 0.000 2.370 350 R HA 0.244 4.584 4.340 -0.000 0.000 0.309 350 R C -0.662 175.699 176.300 0.101 0.000 1.059 350 R CA -0.490 55.693 56.100 0.137 0.000 0.981 350 R CB 0.073 30.413 30.300 0.067 0.000 0.972 350 R HN 0.614 nan 8.270 nan 0.000 0.437 351 L N 5.603 126.807 121.223 -0.032 0.000 2.418 351 L HA 0.050 4.390 4.340 -0.000 0.000 0.274 351 L C 0.420 177.166 176.870 -0.206 0.000 1.135 351 L CA 0.494 55.138 54.840 -0.327 0.000 0.870 351 L CB 1.061 42.931 42.059 -0.316 0.000 1.154 351 L HN 0.812 nan 8.230 nan 0.000 0.462 352 L N 5.521 126.608 121.223 -0.227 0.000 2.298 352 L HA 0.245 4.585 4.340 -0.000 0.000 0.209 352 L C 0.322 177.093 176.870 -0.166 0.000 1.084 352 L CA 0.923 55.676 54.840 -0.145 0.000 0.816 352 L CB 0.304 42.303 42.059 -0.100 0.000 0.967 352 L HN 0.896 nan 8.230 nan 0.000 0.460 353 C N -4.357 114.814 119.300 -0.215 0.000 3.275 353 C HA 0.747 5.207 4.460 -0.000 0.000 0.340 353 C C 0.797 175.649 174.990 -0.229 0.000 1.366 353 C CA -0.846 58.049 59.018 -0.205 0.000 1.227 353 C CB 0.733 28.355 27.740 -0.198 0.000 1.512 353 C HN 0.799 nan 8.230 nan 0.000 0.461 354 G N 0.502 109.181 108.800 -0.203 0.000 2.574 354 G HA2 0.341 4.301 3.960 -0.000 0.000 0.286 354 G HA3 0.341 4.301 3.960 -0.000 0.000 0.286 354 G C 1.292 176.106 174.900 -0.144 0.000 1.212 354 G CA 2.308 47.301 45.100 -0.178 0.000 0.979 354 G HN 3.352 nan 8.290 nan 0.000 0.557 355 G N -1.280 107.463 108.800 -0.095 0.000 2.159 355 G HA2 0.146 4.106 3.960 -0.000 0.000 0.227 355 G HA3 0.146 4.106 3.960 -0.000 0.000 0.227 355 G C 0.094 174.995 174.900 0.002 0.000 0.986 355 G CA 1.648 46.718 45.100 -0.051 0.000 0.651 355 G HN 1.806 nan 8.290 nan 0.000 0.523 356 E N -0.832 119.363 120.200 -0.007 0.000 2.445 356 E HA 0.600 4.950 4.350 -0.000 0.000 0.273 356 E C -0.299 176.314 176.600 0.022 0.000 0.961 356 E CA -1.296 55.111 56.400 0.012 0.000 0.807 356 E CB 1.537 31.235 29.700 -0.003 0.000 1.362 356 E HN 0.211 nan 8.360 nan 0.000 0.453 357 R N 0.704 121.226 120.500 0.037 0.000 2.490 357 R HA 0.277 4.617 4.340 -0.000 0.000 0.280 357 R C -0.798 175.523 176.300 0.035 0.000 1.077 357 R CA -0.339 55.794 56.100 0.055 0.000 1.065 357 R CB 0.823 31.169 30.300 0.077 0.000 1.003 357 R HN 0.327 nan 8.270 nan 0.000 0.470 358 V N 4.383 124.316 119.914 0.032 0.000 2.348 358 V HA 0.143 4.263 4.120 -0.000 0.000 0.270 358 V C 0.809 176.934 176.094 0.052 0.000 1.037 358 V CA -0.227 62.047 62.300 -0.043 0.000 0.872 358 V CB 1.125 32.795 31.823 -0.255 0.000 1.002 358 V HN 1.024 nan 8.190 nan 0.000 0.464 359 T N -0.768 113.834 114.554 0.081 0.000 3.182 359 T HA 0.223 4.573 4.350 -0.000 0.000 0.277 359 T C 0.085 174.870 174.700 0.141 0.000 1.013 359 T CA -0.502 61.680 62.100 0.135 0.000 0.900 359 T CB -0.242 68.686 68.868 0.101 0.000 1.098 359 T HN 0.560 nan 8.240 nan 0.000 0.543 360 D N 2.222 122.740 120.400 0.196 0.000 2.348 360 D HA 0.406 5.046 4.640 -0.000 0.000 0.253 360 D C 1.415 177.751 176.300 0.059 0.000 1.161 360 D CA 0.865 54.956 54.000 0.150 0.000 0.876 360 D CB 1.373 42.280 40.800 0.179 0.000 1.160 360 D HN 0.398 nan 8.370 nan 0.000 0.459 361 G N 2.986 111.777 108.800 -0.015 0.000 2.646 361 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.324 361 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.324 361 G C 1.138 175.958 174.900 -0.133 0.000 1.195 361 G CA 1.067 46.111 45.100 -0.094 0.000 0.976 361 G HN 0.653 nan 8.290 nan 0.000 0.546 362 A N -0.997 121.648 122.820 -0.292 0.000 2.014 362 A HA 0.424 4.744 4.320 -0.000 0.000 0.218 362 A C 2.218 179.699 177.584 -0.171 0.000 1.163 362 A CA 2.104 53.986 52.037 -0.258 0.000 0.652 362 A CB -0.416 18.390 19.000 -0.323 0.000 0.808 362 A HN 0.726 nan 8.150 nan 0.000 0.449 363 F N 0.727 120.639 119.950 -0.064 0.000 2.161 363 F HA -0.089 4.438 4.527 0.001 0.000 0.300 363 F C 2.576 178.440 175.800 0.107 0.000 1.089 363 F CA 0.739 58.677 58.000 -0.104 0.000 1.282 363 F CB -1.242 37.539 39.000 -0.365 0.000 1.010 363 F HN 0.268 nan 8.300 nan 0.000 0.485 364 G N 0.145 109.081 108.800 0.227 0.000 2.485 364 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.221 364 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.221 364 G C 1.803 176.828 174.900 0.209 0.000 1.115 364 G CA 0.679 45.894 45.100 0.191 0.000 0.751 364 G HN 0.219 nan 8.290 nan 0.000 0.567 365 K N 0.653 121.167 120.400 0.191 0.000 2.288 365 K HA 0.037 4.357 4.320 -0.000 0.000 0.201 365 K C 1.484 178.303 176.600 0.364 0.000 1.048 365 K CA 0.679 57.089 56.287 0.205 0.000 0.956 365 K CB 0.053 32.627 32.500 0.123 0.000 0.746 365 K HN 0.311 nan 8.250 nan 0.000 0.461 366 G N -0.191 108.856 108.800 0.412 0.000 2.820 366 G HA2 0.504 4.464 3.960 -0.000 0.000 0.291 366 G HA3 0.504 4.464 3.960 -0.000 0.000 0.291 366 G C -0.967 174.008 174.900 0.125 0.000 1.323 366 G CA -0.372 44.909 45.100 0.301 0.000 1.055 366 G HN 0.082 nan 8.290 nan 0.000 0.520 367 A N -0.187 122.382 122.820 -0.418 0.000 3.257 367 A HA 0.601 4.920 4.320 -0.000 0.000 0.308 367 A C -0.972 176.409 177.584 -0.338 0.000 1.175 367 A CA -0.536 51.176 52.037 -0.541 0.000 1.018 367 A CB -0.548 17.821 19.000 -1.052 0.000 1.088 367 A HN 0.450 nan 8.150 nan 0.000 0.567 368 Y N -0.222 120.031 120.300 -0.078 0.000 2.341 368 Y HA 0.442 4.991 4.550 -0.000 0.000 0.340 368 Y C 0.170 176.059 175.900 -0.019 0.000 0.997 368 Y CA -0.503 57.565 58.100 -0.053 0.000 1.149 368 Y CB 1.552 39.973 38.460 -0.064 0.000 1.171 368 Y HN 0.114 nan 8.280 nan 0.000 0.494 369 V N 4.011 124.016 119.914 0.151 0.000 2.384 369 V HA 0.557 4.676 4.120 -0.000 0.000 0.287 369 V C 0.226 176.449 176.094 0.215 0.000 1.020 369 V CA -1.273 61.111 62.300 0.139 0.000 0.850 369 V CB 1.113 32.997 31.823 0.102 0.000 0.987 369 V HN 0.933 nan 8.190 nan 0.000 0.436 370 A N 7.607 130.473 122.820 0.078 0.000 2.531 370 A HA 0.408 4.728 4.320 -0.000 0.000 0.236 370 A C -2.261 175.263 177.584 -0.101 0.000 1.062 370 A CA -0.727 51.273 52.037 -0.061 0.000 0.760 370 A CB -0.448 18.473 19.000 -0.133 0.000 0.995 370 A HN 0.679 nan 8.150 nan 0.000 0.501 371 P HA 0.082 nan 4.420 nan 0.000 0.260 371 P C -0.406 176.710 177.300 -0.306 0.000 1.172 371 P CA 0.900 63.654 63.100 -0.577 0.000 0.760 371 P CB 0.333 31.287 31.700 -1.244 0.000 0.773 372 T N 2.896 117.469 114.554 0.031 0.000 2.848 372 T HA 0.474 4.824 4.350 -0.000 0.000 0.285 372 T C -0.482 174.323 174.700 0.174 0.000 0.995 372 T CA -0.454 61.666 62.100 0.034 0.000 0.970 372 T CB 1.114 70.029 68.868 0.079 0.000 0.976 372 T HN -0.047 nan 8.240 nan 0.000 0.441 373 V N 3.694 123.604 119.914 -0.006 0.000 2.540 373 V HA 0.609 4.729 4.120 -0.000 0.000 0.302 373 V C -1.028 174.976 176.094 -0.149 0.000 1.035 373 V CA -0.891 61.434 62.300 0.041 0.000 0.873 373 V CB 1.488 33.337 31.823 0.044 0.000 0.992 373 V HN 0.797 nan 8.190 nan 0.000 0.428 374 F N 1.978 121.951 119.950 0.037 0.000 2.492 374 F HA 0.773 5.299 4.527 -0.001 0.000 0.327 374 F C 0.592 176.400 175.800 0.013 0.000 1.079 374 F CA -0.101 57.912 58.000 0.020 0.000 0.967 374 F CB 2.363 41.375 39.000 0.020 0.000 1.169 374 F HN 0.526 nan 8.300 nan 0.000 0.472 375 T N -0.769 113.906 114.554 0.201 0.000 2.669 375 T HA 0.283 4.633 4.350 -0.000 0.000 0.283 375 T C -1.090 173.672 174.700 0.102 0.000 1.019 375 T CA -0.479 61.694 62.100 0.122 0.000 1.039 375 T CB 0.861 69.779 68.868 0.083 0.000 1.374 375 T HN 0.605 nan 8.240 nan 0.000 0.523 376 D N 0.229 120.667 120.400 0.062 0.000 2.792 376 D HA -0.149 4.491 4.640 -0.000 0.000 0.231 376 D C 0.154 176.474 176.300 0.035 0.000 1.160 376 D CA 0.480 54.506 54.000 0.043 0.000 0.697 376 D CB -2.045 38.782 40.800 0.045 0.000 1.070 376 D HN 0.516 nan 8.370 nan 0.000 0.426 377 C N 0.275 119.588 119.300 0.022 0.000 2.656 377 C HA 0.401 4.861 4.460 -0.000 0.000 0.391 377 C C 1.343 176.326 174.990 -0.012 0.000 1.300 377 C CA -0.432 58.585 59.018 -0.003 0.000 2.302 377 C CB 0.590 28.312 27.740 -0.029 0.000 2.655 377 C HN 0.171 nan 8.230 nan 0.000 0.656 378 R N 0.971 121.463 120.500 -0.013 0.000 2.807 378 R HA 0.240 4.580 4.340 -0.000 0.000 0.276 378 R C -0.103 176.200 176.300 0.006 0.000 0.979 378 R CA -0.749 55.353 56.100 0.003 0.000 0.928 378 R CB 1.197 31.503 30.300 0.011 0.000 1.191 378 R HN 0.601 nan 8.270 nan 0.000 0.471 379 D N 1.096 121.515 120.400 0.032 0.000 2.218 379 D HA -0.159 4.481 4.640 -0.000 0.000 0.204 379 D C 1.133 177.457 176.300 0.040 0.000 0.976 379 D CA 1.480 55.510 54.000 0.050 0.000 0.853 379 D CB 0.106 40.954 40.800 0.080 0.000 0.939 379 D HN 0.570 nan 8.370 nan 0.000 0.481 380 D N -0.742 119.675 120.400 0.030 0.000 2.349 380 D HA -0.079 4.561 4.640 -0.000 0.000 0.215 380 D C 0.791 177.102 176.300 0.018 0.000 1.016 380 D CA -0.084 53.931 54.000 0.026 0.000 0.870 380 D CB -0.204 40.610 40.800 0.022 0.000 0.917 380 D HN 0.180 nan 8.370 nan 0.000 0.524 381 M N 0.983 120.586 119.600 0.005 0.000 2.249 381 M HA 0.004 4.484 4.480 -0.000 0.000 0.340 381 M C 1.280 177.584 176.300 0.007 0.000 1.166 381 M CA 0.188 55.481 55.300 -0.011 0.000 1.115 381 M CB 0.955 33.528 32.600 -0.045 0.000 1.606 381 M HN -0.193 nan 8.290 nan 0.000 0.448 382 T N 2.893 117.458 114.554 0.019 0.000 2.833 382 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 382 T C 1.543 176.304 174.700 0.102 0.000 1.054 382 T CA 1.595 63.741 62.100 0.076 0.000 1.135 382 T CB -0.459 68.462 68.868 0.089 0.000 0.869 382 T HN 0.753 nan 8.240 nan 0.000 0.466 383 I N -0.628 119.957 120.570 0.025 0.000 2.493 383 I HA -0.013 4.157 4.170 -0.000 0.000 0.254 383 I C 1.998 178.084 176.117 -0.052 0.000 1.160 383 I CA 0.967 62.248 61.300 -0.032 0.000 1.445 383 I CB -0.521 37.371 38.000 -0.180 0.000 1.086 383 I HN -0.015 nan 8.210 nan 0.000 0.433 384 V N 0.755 120.650 119.914 -0.032 0.000 3.052 384 V HA 0.076 4.196 4.120 -0.000 0.000 0.254 384 V C 2.586 178.699 176.094 0.032 0.000 1.100 384 V CA 1.147 63.434 62.300 -0.021 0.000 1.112 384 V CB -0.658 31.147 31.823 -0.031 0.000 0.738 384 V HN 0.390 nan 8.190 nan 0.000 0.469 385 R N -0.003 120.532 120.500 0.057 0.000 2.146 385 R HA 0.173 4.512 4.340 -0.000 0.000 0.206 385 R C 0.436 176.828 176.300 0.154 0.000 1.049 385 R CA 0.378 56.539 56.100 0.101 0.000 1.029 385 R CB 0.353 30.704 30.300 0.085 0.000 0.949 385 R HN 0.530 nan 8.270 nan 0.000 0.471 386 E N 1.218 121.494 120.200 0.126 0.000 2.204 386 E HA 0.109 4.459 4.350 -0.000 0.000 0.276 386 E C -0.925 175.672 176.600 -0.006 0.000 0.974 386 E CA -0.391 56.098 56.400 0.149 0.000 0.815 386 E CB 1.876 31.711 29.700 0.224 0.000 1.119 386 E HN 0.046 nan 8.360 nan 0.000 0.393 387 E N 2.743 122.955 120.200 0.021 0.000 2.324 387 E HA 0.014 4.364 4.350 -0.000 0.000 0.271 387 E C 0.084 176.559 176.600 -0.208 0.000 1.028 387 E CA 0.063 56.395 56.400 -0.113 0.000 0.890 387 E CB 0.524 30.130 29.700 -0.157 0.000 1.004 387 E HN 0.537 nan 8.360 nan 0.000 0.431 388 I N 4.205 124.627 120.570 -0.247 0.000 2.810 388 I HA -0.009 4.161 4.170 -0.000 0.000 0.262 388 I C 0.299 176.502 176.117 0.142 0.000 1.131 388 I CA -0.091 61.006 61.300 -0.339 0.000 1.453 388 I CB 0.229 38.019 38.000 -0.351 0.000 1.161 388 I HN 0.668 nan 8.210 nan 0.000 0.444 389 F N 1.987 121.956 119.950 0.033 0.000 3.040 389 F HA -0.148 4.379 4.527 -0.001 0.000 0.298 389 F C 0.210 176.209 175.800 0.331 0.000 0.948 389 F CA 0.545 58.675 58.000 0.217 0.000 1.022 389 F CB -1.366 37.843 39.000 0.348 0.000 1.023 389 F HN 0.157 nan 8.300 nan 0.000 0.742 390 G N -0.134 108.769 108.800 0.173 0.000 2.721 390 G HA2 0.645 4.605 3.960 -0.000 0.000 0.296 390 G HA3 0.645 4.605 3.960 -0.000 0.000 0.296 390 G C -3.147 171.829 174.900 0.128 0.000 1.383 390 G CA -0.633 44.528 45.100 0.101 0.000 0.788 390 G HN -0.097 nan 8.290 nan 0.000 0.500 391 P HA 0.346 nan 4.420 nan 0.000 0.231 391 P C -0.707 176.828 177.300 0.391 0.000 1.811 391 P CA -0.149 63.188 63.100 0.395 0.000 1.051 391 P CB 0.466 32.616 31.700 0.750 0.000 1.951 392 V N 4.186 124.212 119.914 0.187 0.000 2.445 392 V HA 0.291 4.411 4.120 -0.000 0.000 0.283 392 V C 0.245 176.382 176.094 0.073 0.000 1.014 392 V CA -0.542 61.877 62.300 0.198 0.000 0.852 392 V CB 1.818 33.763 31.823 0.204 0.000 1.021 392 V HN 0.397 nan 8.190 nan 0.000 0.435 393 M N 3.434 123.076 119.600 0.069 0.000 2.146 393 M HA 0.466 4.946 4.480 -0.000 0.000 0.357 393 M C -0.255 176.106 176.300 0.102 0.000 1.261 393 M CA 0.302 55.599 55.300 -0.006 0.000 1.106 393 M CB 1.077 33.654 32.600 -0.039 0.000 1.612 393 M HN 0.577 nan 8.290 nan 0.000 0.470 394 S N 6.381 122.100 115.700 0.031 0.000 2.438 394 S HA 0.544 5.014 4.470 -0.000 0.000 0.316 394 S C -0.408 174.172 174.600 -0.032 0.000 1.084 394 S CA -0.673 57.547 58.200 0.034 0.000 1.107 394 S CB 0.640 63.820 63.200 -0.034 0.000 0.981 394 S HN 0.653 nan 8.310 nan 0.000 0.466 395 I N 3.757 124.340 120.570 0.021 0.000 2.353 395 I HA 0.378 4.548 4.170 -0.000 0.000 0.293 395 I C -0.991 175.085 176.117 -0.069 0.000 0.992 395 I CA -0.602 60.701 61.300 0.005 0.000 1.268 395 I CB 1.063 39.145 38.000 0.135 0.000 1.387 395 I HN 0.340 nan 8.210 nan 0.000 0.478 396 L N 6.951 128.067 121.223 -0.178 0.000 2.376 396 L HA 0.422 4.762 4.340 -0.000 0.000 0.275 396 L C -0.286 176.570 176.870 -0.022 0.000 0.987 396 L CA -0.479 54.249 54.840 -0.187 0.000 0.828 396 L CB 1.869 43.613 42.059 -0.525 0.000 1.249 396 L HN 0.232 nan 8.230 nan 0.000 0.409 397 V N 3.787 123.716 119.914 0.025 0.000 2.614 397 V HA 0.241 4.361 4.120 -0.000 0.000 0.291 397 V C -0.415 175.757 176.094 0.129 0.000 1.049 397 V CA 0.013 62.325 62.300 0.021 0.000 1.038 397 V CB 0.765 32.564 31.823 -0.040 0.000 0.980 397 V HN 0.684 nan 8.190 nan 0.000 0.481 398 Y N 1.895 122.186 120.300 -0.016 0.000 2.662 398 Y HA 0.643 5.191 4.550 -0.003 0.000 0.335 398 Y C 0.201 175.981 175.900 -0.201 0.000 1.066 398 Y CA -1.322 56.762 58.100 -0.027 0.000 1.116 398 Y CB 1.415 39.898 38.460 0.038 0.000 1.308 398 Y HN 0.473 nan 8.280 nan 0.000 0.502 399 D N -0.212 120.138 120.400 -0.083 0.000 2.531 399 D HA 0.067 4.707 4.640 -0.000 0.000 0.263 399 D C -0.822 175.546 176.300 0.113 0.000 1.057 399 D CA 0.816 54.673 54.000 -0.238 0.000 0.909 399 D CB 0.683 41.423 40.800 -0.100 0.000 1.236 399 D HN 0.765 nan 8.370 nan 0.000 0.494 400 D N -0.438 120.155 120.400 0.321 0.000 2.601 400 D HA 0.109 4.749 4.640 -0.000 0.000 0.230 400 D C 0.873 177.383 176.300 0.351 0.000 1.106 400 D CA -0.709 53.495 54.000 0.340 0.000 0.873 400 D CB 2.275 43.188 40.800 0.188 0.000 1.515 400 D HN -0.172 nan 8.370 nan 0.000 0.468 401 E N 0.920 121.309 120.200 0.314 0.000 2.049 401 E HA -0.324 4.026 4.350 -0.000 0.000 0.198 401 E C 0.667 177.314 176.600 0.078 0.000 1.007 401 E CA 1.740 58.289 56.400 0.249 0.000 0.809 401 E CB -0.098 29.755 29.700 0.256 0.000 0.749 401 E HN 0.523 nan 8.360 nan 0.000 0.450 402 D N 0.201 120.641 120.400 0.068 0.000 2.182 402 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 402 D C 1.755 178.047 176.300 -0.014 0.000 0.986 402 D CA 1.082 55.096 54.000 0.023 0.000 0.847 402 D CB -0.179 40.640 40.800 0.031 0.000 0.942 402 D HN 0.397 nan 8.370 nan 0.000 0.467 403 E N 0.255 120.454 120.200 -0.002 0.000 2.033 403 E HA -0.098 4.252 4.350 -0.000 0.000 0.189 403 E C 2.014 178.527 176.600 -0.146 0.000 0.979 403 E CA 0.798 57.184 56.400 -0.023 0.000 0.802 403 E CB 0.023 29.755 29.700 0.053 0.000 0.763 403 E HN 0.125 nan 8.360 nan 0.000 0.449 404 A N 1.381 124.030 122.820 -0.285 0.000 1.948 404 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 404 A C 2.170 179.367 177.584 -0.644 0.000 1.177 404 A CA 1.429 53.048 52.037 -0.697 0.000 0.636 404 A CB -0.688 17.534 19.000 -1.296 0.000 0.815 404 A HN 0.350 nan 8.150 nan 0.000 0.449 405 I N -1.344 119.014 120.570 -0.354 0.000 2.676 405 I HA -0.164 4.006 4.170 -0.000 0.000 0.259 405 I C 2.616 178.632 176.117 -0.169 0.000 1.194 405 I CA 1.243 62.407 61.300 -0.227 0.000 1.473 405 I CB -0.193 37.752 38.000 -0.092 0.000 1.096 405 I HN 0.378 nan 8.210 nan 0.000 0.443 406 R N 0.911 121.324 120.500 -0.144 0.000 2.127 406 R HA -0.013 4.327 4.340 -0.000 0.000 0.217 406 R C 2.360 178.613 176.300 -0.078 0.000 1.074 406 R CA 0.641 56.694 56.100 -0.078 0.000 0.991 406 R CB 0.091 30.366 30.300 -0.041 0.000 0.895 406 R HN 0.237 nan 8.270 nan 0.000 0.450 407 R N 0.287 120.703 120.500 -0.141 0.000 2.057 407 R HA 0.008 4.348 4.340 -0.000 0.000 0.229 407 R C 2.373 178.639 176.300 -0.057 0.000 1.136 407 R CA 1.185 57.243 56.100 -0.070 0.000 0.952 407 R CB -0.553 29.726 30.300 -0.035 0.000 0.848 407 R HN 0.202 nan 8.270 nan 0.000 0.430 408 A N 2.200 124.819 122.820 -0.334 0.000 1.940 408 A HA -0.254 4.066 4.320 -0.000 0.000 0.221 408 A C 1.740 179.319 177.584 -0.008 0.000 1.190 408 A CA 2.075 54.014 52.037 -0.163 0.000 0.647 408 A CB -0.569 18.237 19.000 -0.324 0.000 0.821 408 A HN 0.307 nan 8.150 nan 0.000 0.457 409 N N -0.287 118.393 118.700 -0.034 0.000 2.446 409 N HA -0.016 4.724 4.740 -0.000 0.000 0.179 409 N C -0.058 175.474 175.510 0.037 0.000 1.054 409 N CA 0.743 53.799 53.050 0.011 0.000 0.905 409 N CB -0.216 38.270 38.487 -0.002 0.000 0.973 409 N HN 0.506 nan 8.380 nan 0.000 0.448 410 D N 0.610 121.033 120.400 0.039 0.000 2.558 410 D HA 0.116 4.756 4.640 -0.000 0.000 0.221 410 D C -0.752 175.588 176.300 0.067 0.000 1.143 410 D CA 0.131 54.159 54.000 0.047 0.000 1.010 410 D CB -0.081 40.744 40.800 0.043 0.000 1.068 410 D HN -0.091 nan 8.370 nan 0.000 0.511 411 T N 0.730 115.322 114.554 0.064 0.000 2.885 411 T HA 0.223 4.573 4.350 -0.000 0.000 0.322 411 T C 0.323 175.032 174.700 0.015 0.000 1.387 411 T CA -0.647 61.492 62.100 0.065 0.000 1.041 411 T CB 1.107 70.067 68.868 0.153 0.000 1.287 411 T HN 0.045 nan 8.240 nan 0.000 0.491 412 E N 1.109 121.256 120.200 -0.088 0.000 2.427 412 E HA 0.160 4.510 4.350 -0.000 0.000 0.196 412 E C -0.273 176.246 176.600 -0.135 0.000 1.028 412 E CA 0.545 56.860 56.400 -0.141 0.000 0.864 412 E CB -0.224 29.343 29.700 -0.221 0.000 0.813 412 E HN 0.514 nan 8.360 nan 0.000 0.514 413 Y N 0.261 120.591 120.300 0.050 0.000 2.295 413 Y HA 0.532 5.082 4.550 -0.000 0.000 0.331 413 Y C 1.506 177.444 175.900 0.063 0.000 1.311 413 Y CA -0.257 57.875 58.100 0.054 0.000 1.430 413 Y CB 1.075 39.565 38.460 0.050 0.000 1.339 413 Y HN -0.017 nan 8.280 nan 0.000 0.552 414 G N 0.688 109.647 108.800 0.265 0.000 5.312 414 G HA2 0.163 4.123 3.960 -0.000 0.000 0.204 414 G HA3 0.163 4.123 3.960 -0.000 0.000 0.204 414 G C -0.178 174.763 174.900 0.068 0.000 1.097 414 G CA -0.263 44.926 45.100 0.148 0.000 0.621 414 G HN 0.524 nan 8.290 nan 0.000 0.290 415 L N 0.836 122.088 121.223 0.049 0.000 2.056 415 L HA 0.812 5.152 4.340 -0.000 0.000 0.202 415 L C 1.301 178.107 176.870 -0.107 0.000 1.086 415 L CA 2.093 56.927 54.840 -0.010 0.000 0.758 415 L CB -0.266 41.789 42.059 -0.006 0.000 0.912 415 L HN 0.381 nan 8.230 nan 0.000 0.446 416 A N -1.466 121.315 122.820 -0.065 0.000 2.387 416 A HA 0.906 5.226 4.320 -0.000 0.000 0.303 416 A C -1.097 176.465 177.584 -0.036 0.000 1.145 416 A CA -0.025 51.912 52.037 -0.165 0.000 0.801 416 A CB 1.285 20.246 19.000 -0.066 0.000 1.342 416 A HN 0.611 nan 8.150 nan 0.000 0.440 417 A N -0.969 121.778 122.820 -0.121 0.000 2.608 417 A HA 0.868 5.188 4.320 -0.000 0.000 0.292 417 A C -0.357 177.278 177.584 0.084 0.000 1.066 417 A CA 0.030 52.139 52.037 0.120 0.000 0.676 417 A CB 1.073 20.086 19.000 0.022 0.000 1.277 417 A HN 2.404 nan 8.150 nan 0.000 0.413 418 G N -0.998 108.059 108.800 0.428 0.000 2.692 418 G HA2 0.796 4.756 3.960 -0.000 0.000 0.291 418 G HA3 0.796 4.756 3.960 -0.000 0.000 0.291 418 G C -1.062 174.042 174.900 0.340 0.000 1.423 418 G CA 0.126 45.489 45.100 0.439 0.000 0.843 418 G HN 2.092 nan 8.290 nan 0.000 0.486 419 V N -1.936 118.139 119.914 0.267 0.000 2.789 419 V HA 0.855 4.975 4.120 -0.000 0.000 0.311 419 V C -0.699 175.535 176.094 0.234 0.000 1.073 419 V CA -1.096 61.348 62.300 0.240 0.000 0.921 419 V CB 1.586 33.608 31.823 0.332 0.000 1.009 419 V HN 0.723 nan 8.190 nan 0.000 0.426 420 V N 3.213 123.258 119.914 0.217 0.000 2.357 420 V HA 0.829 4.949 4.120 -0.000 0.000 0.284 420 V C 0.172 176.414 176.094 0.246 0.000 1.018 420 V CA 0.236 62.650 62.300 0.190 0.000 0.841 420 V CB 0.836 32.740 31.823 0.135 0.000 0.991 420 V HN 1.253 nan 8.190 nan 0.000 0.437 421 T N 3.113 117.773 114.554 0.178 0.000 2.977 421 T HA 0.285 4.634 4.350 -0.000 0.000 0.345 421 T C 0.027 174.760 174.700 0.056 0.000 1.562 421 T CA -0.359 61.825 62.100 0.139 0.000 1.090 421 T CB 2.180 71.120 68.868 0.120 0.000 1.383 421 T HN 0.639 nan 8.240 nan 0.000 0.484 422 Q N 0.918 120.741 119.800 0.038 0.000 2.402 422 Q HA 0.144 4.484 4.340 -0.000 0.000 0.206 422 Q C -0.108 175.890 176.000 -0.003 0.000 0.919 422 Q CA 0.089 55.904 55.803 0.020 0.000 0.923 422 Q CB 0.252 29.006 28.738 0.026 0.000 1.048 422 Q HN 0.666 nan 8.270 nan 0.000 0.515 423 D N 0.291 120.675 120.400 -0.026 0.000 2.390 423 D HA -0.011 4.629 4.640 -0.000 0.000 0.249 423 D C 0.724 176.996 176.300 -0.047 0.000 1.144 423 D CA -0.191 53.782 54.000 -0.045 0.000 0.880 423 D CB 0.994 41.747 40.800 -0.079 0.000 1.182 423 D HN -0.078 nan 8.370 nan 0.000 0.451 424 L N 5.052 126.267 121.223 -0.012 0.000 1.970 424 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 424 L C 2.003 178.905 176.870 0.053 0.000 1.071 424 L CA 2.483 57.346 54.840 0.039 0.000 0.751 424 L CB -0.782 41.305 42.059 0.047 0.000 0.889 424 L HN 0.619 nan 8.230 nan 0.000 0.432 425 A N -0.526 122.289 122.820 -0.008 0.000 1.873 425 A HA -0.233 4.087 4.320 -0.000 0.000 0.215 425 A C 2.542 180.072 177.584 -0.090 0.000 1.186 425 A CA 1.807 53.825 52.037 -0.033 0.000 0.616 425 A CB -0.734 18.236 19.000 -0.050 0.000 0.823 425 A HN 0.524 nan 8.150 nan 0.000 0.442 426 R N -0.330 120.075 120.500 -0.158 0.000 2.080 426 R HA -0.143 4.197 4.340 -0.000 0.000 0.236 426 R C 2.357 178.489 176.300 -0.279 0.000 1.137 426 R CA 1.607 57.534 56.100 -0.288 0.000 0.943 426 R CB -0.546 29.491 30.300 -0.438 0.000 0.846 426 R HN 0.426 nan 8.270 nan 0.000 0.431 427 A N 1.168 123.855 122.820 -0.223 0.000 1.881 427 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 427 A C 2.055 179.465 177.584 -0.289 0.000 1.215 427 A CA 1.992 53.892 52.037 -0.228 0.000 0.648 427 A CB -1.120 17.718 19.000 -0.271 0.000 0.832 427 A HN 0.544 nan 8.150 nan 0.000 0.455 428 H N -1.783 117.172 119.070 -0.191 0.000 2.363 428 H HA -0.013 4.543 4.556 -0.001 0.000 0.301 428 H C 2.393 177.342 175.328 -0.633 0.000 1.074 428 H CA 1.684 57.508 56.048 -0.374 0.000 1.354 428 H CB -0.146 29.417 29.762 -0.333 0.000 1.397 428 H HN 0.448 nan 8.280 nan 0.000 0.516 429 R N 1.014 121.353 120.500 -0.268 0.000 2.073 429 R HA -0.049 4.291 4.340 -0.000 0.000 0.234 429 R C 2.489 178.723 176.300 -0.111 0.000 1.134 429 R CA 1.397 57.373 56.100 -0.206 0.000 0.952 429 R CB -0.426 29.799 30.300 -0.126 0.000 0.850 429 R HN 0.261 nan 8.270 nan 0.000 0.433 430 A N 0.052 122.815 122.820 -0.095 0.000 1.898 430 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 430 A C 2.127 179.733 177.584 0.037 0.000 1.181 430 A CA 1.411 53.450 52.037 0.004 0.000 0.620 430 A CB -0.553 18.496 19.000 0.082 0.000 0.819 430 A HN 0.348 nan 8.150 nan 0.000 0.442 431 I N -0.405 120.174 120.570 0.015 0.000 2.286 431 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 431 I C 2.205 178.416 176.117 0.157 0.000 1.115 431 I CA 1.555 62.893 61.300 0.064 0.000 1.392 431 I CB -0.385 37.641 38.000 0.044 0.000 1.065 431 I HN 0.488 nan 8.210 nan 0.000 0.418 432 H N -0.630 118.445 119.070 0.009 0.000 2.456 432 H HA -0.066 4.492 4.556 0.003 0.000 0.296 432 H C 1.852 177.185 175.328 0.009 0.000 1.079 432 H CA 0.662 56.717 56.048 0.012 0.000 1.322 432 H CB 0.068 29.846 29.762 0.027 0.000 1.388 432 H HN 0.301 nan 8.280 nan 0.000 0.538 433 R N 0.357 120.932 120.500 0.126 0.000 2.280 433 R HA 0.143 4.483 4.340 -0.000 0.000 0.195 433 R C 0.015 176.333 176.300 0.031 0.000 0.935 433 R CA -0.103 56.037 56.100 0.066 0.000 1.033 433 R CB 0.456 30.783 30.300 0.045 0.000 0.964 433 R HN 0.106 nan 8.270 nan 0.000 0.489 434 L N 1.972 123.202 121.223 0.012 0.000 2.313 434 L HA 0.115 4.455 4.340 -0.000 0.000 0.282 434 L C 0.023 176.842 176.870 -0.086 0.000 1.092 434 L CA 0.022 54.842 54.840 -0.033 0.000 0.831 434 L CB 1.075 43.110 42.059 -0.039 0.000 1.159 434 L HN -0.023 nan 8.230 nan 0.000 0.442 435 E N 3.865 124.033 120.200 -0.054 0.000 1.852 435 E HA 0.426 4.776 4.350 -0.000 0.000 0.276 435 E C -0.395 176.036 176.600 -0.281 0.000 1.163 435 E CA -0.261 56.111 56.400 -0.045 0.000 1.117 435 E CB 0.479 30.268 29.700 0.147 0.000 1.124 435 E HN 0.614 nan 8.360 nan 0.000 0.458 436 A N 0.590 122.930 122.820 -0.800 0.000 2.547 436 A HA 0.571 4.891 4.320 -0.000 0.000 0.297 436 A C 0.802 177.763 177.584 -1.039 0.000 1.056 436 A CA -0.520 51.094 52.037 -0.704 0.000 0.688 436 A CB 1.421 20.216 19.000 -0.343 0.000 1.282 436 A HN 0.470 nan 8.150 nan 0.000 0.400 437 G N 0.338 108.756 108.800 -0.635 0.000 2.551 437 G HA2 0.307 4.267 3.960 -0.000 0.000 0.216 437 G HA3 0.307 4.267 3.960 -0.000 0.000 0.216 437 G C 0.346 175.045 174.900 -0.335 0.000 1.137 437 G CA 0.669 45.574 45.100 -0.326 0.000 0.798 437 G HN 0.616 nan 8.290 nan 0.000 0.536 438 I N 0.915 121.218 120.570 -0.446 0.000 2.390 438 I HA 0.336 4.506 4.170 -0.000 0.000 0.283 438 I C -0.924 174.676 176.117 -0.861 0.000 1.016 438 I CA -0.739 60.159 61.300 -0.669 0.000 1.151 438 I CB 1.869 39.414 38.000 -0.759 0.000 1.293 438 I HN -0.169 nan 8.210 nan 0.000 0.458 439 C N 6.016 124.850 119.300 -0.777 0.000 2.408 439 C HA 0.550 5.010 4.460 -0.000 0.000 0.321 439 C C -0.698 173.973 174.990 -0.532 0.000 1.245 439 C CA -0.509 58.171 59.018 -0.564 0.000 1.523 439 C CB 1.396 28.960 27.740 -0.293 0.000 2.178 439 C HN 0.675 nan 8.230 nan 0.000 0.488 440 W N 3.571 124.723 121.300 -0.246 0.000 2.600 440 W HA 0.611 5.270 4.660 -0.002 0.000 0.325 440 W C -0.694 175.789 176.519 -0.061 0.000 1.034 440 W CA -1.036 56.191 57.345 -0.196 0.000 1.226 440 W CB 1.200 30.450 29.460 -0.350 0.000 1.379 440 W HN 0.435 nan 8.180 nan 0.000 0.466 441 I N 5.097 125.773 120.570 0.177 0.000 2.354 441 I HA 0.122 4.292 4.170 -0.000 0.000 0.286 441 I C 0.093 176.277 176.117 0.111 0.000 1.007 441 I CA -0.437 60.924 61.300 0.101 0.000 1.167 441 I CB 0.845 38.832 38.000 -0.021 0.000 1.320 441 I HN 0.401 nan 8.210 nan 0.000 0.458 442 N N 2.267 121.046 118.700 0.133 0.000 2.741 442 N HA -0.177 4.563 4.740 -0.000 0.000 0.250 442 N C -0.220 175.348 175.510 0.097 0.000 1.115 442 N CA 1.360 54.476 53.050 0.109 0.000 0.724 442 N CB -0.886 37.643 38.487 0.070 0.000 1.090 442 N HN 0.786 nan 8.380 nan 0.000 0.558 443 T N -2.151 112.476 114.554 0.123 0.000 2.693 443 T HA 0.567 4.917 4.350 -0.000 0.000 0.304 443 T C -2.199 172.515 174.700 0.023 0.000 1.471 443 T CA -0.556 61.566 62.100 0.036 0.000 0.993 443 T CB 1.450 70.302 68.868 -0.027 0.000 1.554 443 T HN 0.251 nan 8.240 nan 0.000 0.496 444 W N 0.114 121.116 121.300 -0.497 0.000 3.296 444 W HA 0.445 5.103 4.660 -0.003 0.000 0.314 444 W C 0.676 176.458 176.519 -1.228 0.000 1.238 444 W CA 0.218 56.986 57.345 -0.962 0.000 1.193 444 W CB 1.339 30.494 29.460 -0.508 0.000 1.383 444 W HN 1.383 nan 8.180 nan 0.000 0.545 445 G N 2.029 109.515 108.800 -2.190 0.000 2.268 445 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.240 445 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.240 445 G C 0.134 174.780 174.900 -0.423 0.000 1.010 445 G CA 0.420 44.945 45.100 -0.958 0.000 0.618 445 G HN 0.491 nan 8.290 nan 0.000 0.516 446 E N 0.875 120.863 120.200 -0.353 0.000 2.338 446 E HA 0.535 4.884 4.350 -0.000 0.000 0.272 446 E C -0.450 176.282 176.600 0.220 0.000 1.029 446 E CA 0.262 56.649 56.400 -0.022 0.000 0.872 446 E CB 0.631 30.312 29.700 -0.032 0.000 1.015 446 E HN 0.090 nan 8.360 nan 0.000 0.417 447 S N 5.333 121.127 115.700 0.156 0.000 2.204 447 S HA 0.320 4.790 4.470 -0.000 0.000 0.147 447 S C -2.555 172.032 174.600 -0.021 0.000 1.711 447 S CA -1.348 56.936 58.200 0.139 0.000 1.274 447 S CB 0.493 63.861 63.200 0.281 0.000 1.257 447 S HN 0.404 nan 8.310 nan 0.000 0.404 448 P HA 0.171 nan 4.420 nan 0.000 0.267 448 P C 0.792 177.880 177.300 -0.354 0.000 1.200 448 P CA -0.047 62.950 63.100 -0.171 0.000 0.772 448 P CB 0.586 32.197 31.700 -0.147 0.000 0.855 449 A N 3.058 125.596 122.820 -0.469 0.000 1.958 449 A HA -0.259 4.061 4.320 -0.000 0.000 0.221 449 A C 1.734 178.669 177.584 -1.081 0.000 1.178 449 A CA 1.850 53.407 52.037 -0.800 0.000 0.642 449 A CB -0.985 17.515 19.000 -0.833 0.000 0.816 449 A HN 0.618 nan 8.150 nan 0.000 0.453 450 E N -1.293 118.388 120.200 -0.865 0.000 2.347 450 E HA 0.053 4.403 4.350 -0.000 0.000 0.196 450 E C 0.854 177.281 176.600 -0.288 0.000 1.008 450 E CA 0.353 56.395 56.400 -0.597 0.000 0.852 450 E CB -0.090 29.439 29.700 -0.285 0.000 0.783 450 E HN 0.693 nan 8.360 nan 0.000 0.505 451 M N 2.075 121.507 119.600 -0.281 0.000 2.061 451 M HA 0.253 4.733 4.480 -0.000 0.000 0.346 451 M C -2.532 173.670 176.300 -0.163 0.000 1.112 451 M CA -2.605 52.588 55.300 -0.178 0.000 1.021 451 M CB 1.062 33.565 32.600 -0.161 0.000 1.530 451 M HN -0.253 nan 8.290 nan 0.000 0.437 452 P HA 0.147 nan 4.420 nan 0.000 0.271 452 P C -1.235 176.013 177.300 -0.087 0.000 1.226 452 P CA -0.197 62.867 63.100 -0.060 0.000 0.765 452 P CB 0.411 32.104 31.700 -0.011 0.000 0.835 453 V N 0.878 120.749 119.914 -0.071 0.000 2.656 453 V HA 1.031 5.151 4.120 -0.000 0.000 0.307 453 V C 0.046 176.128 176.094 -0.019 0.000 1.051 453 V CA -0.426 61.829 62.300 -0.075 0.000 0.893 453 V CB 1.589 33.372 31.823 -0.066 0.000 0.999 453 V HN 0.871 nan 8.190 nan 0.000 0.426 454 G N 1.726 110.508 108.800 -0.029 0.000 2.315 454 G HA2 0.599 4.559 3.960 -0.000 0.000 0.294 454 G HA3 0.599 4.559 3.960 -0.000 0.000 0.294 454 G C -0.434 174.484 174.900 0.030 0.000 1.300 454 G CA -0.232 44.876 45.100 0.013 0.000 0.843 454 G HN 1.396 nan 8.290 nan 0.000 0.527 455 G N -1.011 107.829 108.800 0.067 0.000 2.356 455 G HA2 0.550 4.510 3.960 -0.000 0.000 0.298 455 G HA3 0.550 4.510 3.960 -0.000 0.000 0.298 455 G C -0.760 174.269 174.900 0.215 0.000 1.145 455 G CA -0.260 44.910 45.100 0.115 0.000 0.850 455 G HN 0.426 nan 8.290 nan 0.000 0.487 456 Y N 1.522 121.819 120.300 -0.005 0.000 2.299 456 Y HA 0.240 4.790 4.550 0.001 0.000 0.335 456 Y C 1.668 177.580 175.900 0.021 0.000 1.287 456 Y CA -0.541 57.559 58.100 -0.001 0.000 1.424 456 Y CB 0.859 39.317 38.460 -0.004 0.000 1.326 456 Y HN 0.817 nan 8.280 nan 0.000 0.567 457 K N -0.307 120.164 120.400 0.118 0.000 1.791 457 K HA -0.361 3.959 4.320 -0.000 0.000 0.140 457 K C 0.658 177.293 176.600 0.058 0.000 1.312 457 K CA 1.776 58.105 56.287 0.070 0.000 0.382 457 K CB -0.935 31.623 32.500 0.097 0.000 0.635 457 K HN 0.737 nan 8.250 nan 0.000 0.838 458 Q N 0.660 120.494 119.800 0.056 0.000 2.280 458 Q HA 0.148 4.488 4.340 -0.000 0.000 0.202 458 Q C 0.913 176.999 176.000 0.144 0.000 0.903 458 Q CA 0.155 55.985 55.803 0.045 0.000 0.948 458 Q CB 0.472 29.180 28.738 -0.050 0.000 1.058 458 Q HN 0.322 nan 8.270 nan 0.000 0.493 459 S N -0.192 115.621 115.700 0.188 0.000 2.548 459 S HA 0.239 4.708 4.470 -0.000 0.000 0.215 459 S C 0.493 175.167 174.600 0.124 0.000 0.976 459 S CA 0.409 58.729 58.200 0.199 0.000 0.908 459 S CB 0.724 64.040 63.200 0.194 0.000 0.781 459 S HN 0.544 nan 8.310 nan 0.000 0.519 460 G N -0.075 108.786 108.800 0.102 0.000 2.313 460 G HA2 0.430 4.390 3.960 -0.000 0.000 0.296 460 G HA3 0.430 4.390 3.960 -0.000 0.000 0.296 460 G C -2.098 172.830 174.900 0.046 0.000 1.356 460 G CA -0.591 44.556 45.100 0.079 0.000 0.833 460 G HN 0.029 nan 8.290 nan 0.000 0.552 461 V N 0.614 120.546 119.914 0.029 0.000 2.638 461 V HA 0.864 4.984 4.120 -0.000 0.000 0.306 461 V C 0.949 177.025 176.094 -0.030 0.000 1.052 461 V CA 0.939 63.234 62.300 -0.009 0.000 0.885 461 V CB 0.887 32.705 31.823 -0.009 0.000 0.999 461 V HN 2.706 nan 8.190 nan 0.000 0.424 462 G N 4.883 113.636 108.800 -0.078 0.000 2.750 462 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.228 462 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.228 462 G C -0.802 174.054 174.900 -0.074 0.000 1.367 462 G CA -0.485 44.531 45.100 -0.139 0.000 0.871 462 G HN 0.719 nan 8.290 nan 0.000 0.560 463 R N -0.101 120.353 120.500 -0.076 0.000 2.774 463 R HA 0.612 4.952 4.340 -0.000 0.000 0.272 463 R C -0.542 175.789 176.300 0.052 0.000 1.000 463 R CA -0.767 55.329 56.100 -0.008 0.000 0.906 463 R CB 1.805 32.095 30.300 -0.016 0.000 1.227 463 R HN 0.754 nan 8.270 nan 0.000 0.468 464 E N 0.880 121.129 120.200 0.082 0.000 2.299 464 E HA 0.408 4.758 4.350 -0.000 0.000 0.265 464 E C -0.774 175.852 176.600 0.043 0.000 0.911 464 E CA -0.819 55.657 56.400 0.126 0.000 0.789 464 E CB 1.951 31.772 29.700 0.200 0.000 1.246 464 E HN 0.535 nan 8.360 nan 0.000 0.427 465 N N -0.264 118.477 118.700 0.068 0.000 5.901 465 N HA -0.190 4.550 4.740 -0.000 0.000 0.387 465 N C -0.107 175.462 175.510 0.098 0.000 1.106 465 N CA 0.467 53.499 53.050 -0.029 0.000 2.316 465 N CB -0.359 37.879 38.487 -0.414 0.000 0.641 465 N HN 0.891 nan 8.380 nan 0.000 0.638 466 G N -1.052 107.762 108.800 0.024 0.000 2.829 466 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.628 466 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.628 466 G C 0.657 175.794 174.900 0.396 0.000 1.412 466 G CA -0.130 45.064 45.100 0.157 0.000 0.864 466 G HN 0.552 nan 8.290 nan 0.000 0.544 467 L N -0.169 121.234 121.223 0.300 0.000 2.079 467 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 467 L C 3.269 180.273 176.870 0.224 0.000 1.081 467 L CA 2.406 57.390 54.840 0.240 0.000 0.752 467 L CB -0.709 41.433 42.059 0.138 0.000 0.896 467 L HN 0.863 nan 8.230 nan 0.000 0.433 468 T N -1.467 113.209 114.554 0.203 0.000 2.867 468 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 468 T C 1.804 176.695 174.700 0.317 0.000 1.057 468 T CA 1.904 64.135 62.100 0.217 0.000 1.136 468 T CB -0.118 68.868 68.868 0.197 0.000 0.874 468 T HN 0.325 nan 8.240 nan 0.000 0.466 469 T N 2.210 116.939 114.554 0.292 0.000 2.777 469 T HA -0.000 4.350 4.350 -0.000 0.000 0.266 469 T C 1.742 176.593 174.700 0.252 0.000 1.040 469 T CA 1.196 63.465 62.100 0.280 0.000 1.141 469 T CB -0.435 68.595 68.868 0.269 0.000 0.868 469 T HN 0.231 nan 8.240 nan 0.000 0.444 470 L N 1.717 123.042 121.223 0.169 0.000 2.017 470 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 470 L C 2.643 179.572 176.870 0.099 0.000 1.073 470 L CA 1.897 56.765 54.840 0.047 0.000 0.745 470 L CB -1.161 40.934 42.059 0.060 0.000 0.894 470 L HN 0.231 nan 8.230 nan 0.000 0.432 471 A N -1.159 121.702 122.820 0.069 0.000 1.948 471 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 471 A C 1.994 179.486 177.584 -0.152 0.000 1.177 471 A CA 2.156 54.160 52.037 -0.055 0.000 0.636 471 A CB -1.185 17.747 19.000 -0.112 0.000 0.815 471 A HN 0.725 nan 8.150 nan 0.000 0.449 472 H N -3.375 115.702 119.070 0.012 0.000 2.556 472 H HA 0.108 4.663 4.556 -0.000 0.000 0.268 472 H C 0.348 175.554 175.328 -0.204 0.000 0.996 472 H CA 0.640 56.638 56.048 -0.082 0.000 1.157 472 H CB -0.096 29.599 29.762 -0.112 0.000 1.355 472 H HN 0.630 nan 8.280 nan 0.000 0.597 473 Y N 0.411 120.745 120.300 0.057 0.000 2.571 473 Y HA 0.107 4.656 4.550 -0.000 0.000 0.275 473 Y C 0.879 176.789 175.900 0.017 0.000 1.179 473 Y CA -0.260 57.860 58.100 0.033 0.000 1.242 473 Y CB 0.338 38.799 38.460 0.002 0.000 1.126 473 Y HN 0.086 nan 8.280 nan 0.000 0.524 474 T N -1.592 113.013 114.554 0.086 0.000 2.942 474 T HA 0.722 5.072 4.350 -0.000 0.000 0.289 474 T C -0.415 174.291 174.700 0.010 0.000 1.044 474 T CA -1.197 60.931 62.100 0.047 0.000 1.023 474 T CB 2.107 70.989 68.868 0.024 0.000 1.123 474 T HN 0.225 nan 8.240 nan 0.000 0.512 475 R N 0.851 121.359 120.500 0.012 0.000 2.589 475 R HA 0.715 5.055 4.340 -0.000 0.000 0.293 475 R C -0.681 175.613 176.300 -0.010 0.000 0.963 475 R CA -0.969 55.130 56.100 -0.001 0.000 0.905 475 R CB 0.955 31.261 30.300 0.009 0.000 1.144 475 R HN 0.585 nan 8.270 nan 0.000 0.459 476 I N 2.294 122.852 120.570 -0.021 0.000 2.371 476 I HA 0.165 4.335 4.170 -0.000 0.000 0.290 476 I C 0.178 176.279 176.117 -0.026 0.000 1.028 476 I CA -0.185 61.101 61.300 -0.024 0.000 1.345 476 I CB 0.959 38.941 38.000 -0.031 0.000 1.407 476 I HN 0.530 nan 8.210 nan 0.000 0.501 477 K N 5.439 125.821 120.400 -0.030 0.000 2.307 477 K HA 0.433 4.753 4.320 -0.000 0.000 0.263 477 K C -0.884 175.664 176.600 -0.086 0.000 0.973 477 K CA -0.404 55.852 56.287 -0.052 0.000 0.846 477 K CB 1.277 33.749 32.500 -0.046 0.000 1.100 477 K HN 0.550 nan 8.250 nan 0.000 0.438 478 S N 2.350 117.987 115.700 -0.105 0.000 2.499 478 S HA 0.322 4.792 4.470 -0.000 0.000 0.279 478 S C -0.735 173.724 174.600 -0.236 0.000 1.219 478 S CA -0.698 57.412 58.200 -0.150 0.000 1.062 478 S CB 1.345 64.482 63.200 -0.104 0.000 0.978 478 S HN 0.404 nan 8.310 nan 0.000 0.489 479 V N 4.316 123.991 119.914 -0.398 0.000 2.376 479 V HA 0.360 4.479 4.120 -0.000 0.000 0.287 479 V C -0.041 175.770 176.094 -0.471 0.000 1.015 479 V CA -0.679 61.306 62.300 -0.526 0.000 0.834 479 V CB 1.304 32.541 31.823 -0.977 0.000 1.001 479 V HN 0.831 nan 8.190 nan 0.000 0.428 480 Q N 3.868 123.488 119.800 -0.300 0.000 2.322 480 Q HA 0.486 4.826 4.340 -0.000 0.000 0.256 480 Q C -1.165 174.680 176.000 -0.258 0.000 0.960 480 Q CA -0.408 55.244 55.803 -0.252 0.000 0.934 480 Q CB 1.660 30.314 28.738 -0.140 0.000 1.200 480 Q HN 0.636 nan 8.270 nan 0.000 0.435 481 V N 4.185 123.881 119.914 -0.363 0.000 2.318 481 V HA 0.171 4.291 4.120 -0.000 0.000 0.271 481 V C -0.167 175.836 176.094 -0.153 0.000 1.030 481 V CA -0.710 61.409 62.300 -0.302 0.000 0.844 481 V CB 0.958 32.473 31.823 -0.512 0.000 1.015 481 V HN 0.711 nan 8.190 nan 0.000 0.460 482 E N 4.154 124.320 120.200 -0.056 0.000 2.152 482 E HA 0.350 4.700 4.350 -0.000 0.000 0.285 482 E C 0.234 176.862 176.600 0.047 0.000 1.043 482 E CA -0.006 56.405 56.400 0.019 0.000 0.839 482 E CB 1.078 30.805 29.700 0.045 0.000 1.069 482 E HN 0.624 nan 8.360 nan 0.000 0.399 483 L N 3.017 124.288 121.223 0.079 0.000 2.616 483 L HA 0.416 4.756 4.340 -0.000 0.000 0.229 483 L C 1.147 178.060 176.870 0.072 0.000 1.110 483 L CA 0.138 55.031 54.840 0.088 0.000 0.884 483 L CB 0.405 42.539 42.059 0.126 0.000 1.115 483 L HN 0.560 nan 8.230 nan 0.000 0.481 484 G N -1.269 107.574 108.800 0.071 0.000 3.135 484 G HA2 0.260 4.220 3.960 -0.000 0.000 0.159 484 G HA3 0.260 4.220 3.960 -0.000 0.000 0.159 484 G C -1.063 173.881 174.900 0.073 0.000 1.244 484 G CA -0.416 44.721 45.100 0.062 0.000 0.965 484 G HN -0.136 nan 8.290 nan 0.000 0.599 485 D N -0.547 119.891 120.400 0.065 0.000 2.313 485 D HA 0.323 4.963 4.640 -0.000 0.000 0.247 485 D C -1.220 175.148 176.300 0.115 0.000 1.094 485 D CA 0.292 54.338 54.000 0.077 0.000 0.925 485 D CB 1.729 42.553 40.800 0.040 0.000 1.188 485 D HN 0.186 nan 8.370 nan 0.000 0.430 486 Y N 0.463 120.768 120.300 0.008 0.000 2.328 486 Y HA 0.468 5.018 4.550 -0.000 0.000 0.337 486 Y C -0.792 175.112 175.900 0.008 0.000 0.966 486 Y CA -0.992 57.113 58.100 0.007 0.000 1.136 486 Y CB 1.132 39.597 38.460 0.009 0.000 1.170 486 Y HN 0.369 nan 8.280 nan 0.000 0.470 487 A N 4.666 127.097 122.820 -0.648 0.000 2.274 487 A HA 0.575 4.895 4.320 -0.000 0.000 0.309 487 A C -0.454 176.779 177.584 -0.586 0.000 1.226 487 A CA -0.401 51.362 52.037 -0.456 0.000 0.853 487 A CB 0.569 19.397 19.000 -0.288 0.000 1.146 487 A HN 0.662 nan 8.150 nan 0.000 0.518 488 S N 1.224 116.780 115.700 -0.240 0.000 2.549 488 S HA 0.424 4.894 4.470 -0.000 0.000 0.297 488 S C 0.925 175.445 174.600 -0.133 0.000 1.115 488 S CA -0.064 58.087 58.200 -0.083 0.000 1.059 488 S CB 1.372 64.661 63.200 0.148 0.000 1.046 488 S HN 1.576 nan 8.310 nan 0.000 0.506 489 V N 2.137 121.893 119.914 -0.263 0.000 3.541 489 V HA 0.422 4.542 4.120 -0.000 0.000 0.267 489 V C 0.118 175.950 176.094 -0.437 0.000 1.213 489 V CA 0.326 62.375 62.300 -0.418 0.000 1.149 489 V CB -1.269 30.184 31.823 -0.617 0.000 0.822 489 V HN 0.603 nan 8.190 nan 0.000 0.462 490 F N 0.000 119.952 119.950 0.004 0.000 2.286 490 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 490 F CA 0.000 58.006 58.000 0.010 0.000 1.383 490 F CB 0.000 39.010 39.000 0.017 0.000 1.145 490 F HN 0.000 nan 8.300 nan 0.000 0.574