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 3hwc_1_D DATA FIRST_RESID 1 DATA SEQUENCE MRTGKQYLES LNDGRVVWVG NEKIDNVATH PLTRDYAERV AQFYDLHHRP DATA SEQUENCE DLQDVLTFVD ADGVRRSRQW QDPKDAAGLR VKRKYHETIL REIAAGSYGR DATA SEQUENCE LPDAHNYTFT TYADDPEVWE KQSIGAEGRN LTQNIHNFLK LLREKDLNCP DATA SEQUENCE LNFVDPQTDR SSDAAQARSP NLRIVEKTDD GIIVNGVKAV GTGIAFGDYM DATA SEQUENCE HIGCLYRPGI PGEQVIFAAI PTNTPGVTVF CRESTVKNDP AEHPLASQGD DATA SEQUENCE ELDSTTVFDN VFIPWEQVFH IGNPEHAKLY PQRIFDWVHY HILIRQVLRA DATA SEQUENCE ELIVGLAILI TEHIGTSKLP TVSARVAKLV AFHLAMQAHL IASEETGFHT DATA SEQUENCE KGGRYKPNPL IYDFGRAHFL QNQMSVMYEL LDLAGRSSLM IPSEGQWDDS DATA SEQUENCE QSGQWFVKLN NGPKGNPRER VQIGRVIRDL YLTDWGGRQF MFENFNGTPL DATA SEQUENCE FAVFAATMTR DDMSAAGTYG KFASQVCGIE FG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.428 176.300 0.213 0.000 1.140 1 M CA 0.000 55.349 55.300 0.082 0.000 0.988 1 M CB 0.000 32.544 32.600 -0.094 0.000 1.302 2 R N 1.559 122.127 120.500 0.112 0.000 2.679 2 R HA 0.419 4.759 4.340 -0.000 0.000 0.268 2 R C -0.065 176.317 176.300 0.136 0.000 1.044 2 R CA 0.543 56.643 56.100 -0.001 0.000 1.105 2 R CB 0.796 30.910 30.300 -0.311 0.000 0.989 2 R HN 0.724 nan 8.270 nan 0.000 0.447 3 T N 0.596 115.168 114.554 0.029 0.000 2.927 3 T HA 0.335 4.684 4.350 -0.000 0.000 0.281 3 T C 1.360 176.125 174.700 0.109 0.000 0.998 3 T CA -0.466 61.650 62.100 0.027 0.000 1.019 3 T CB 1.735 70.540 68.868 -0.105 0.000 1.061 3 T HN 0.617 nan 8.240 nan 0.000 0.518 4 G N 0.711 109.629 108.800 0.196 0.000 2.442 4 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 4 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 4 G C 1.420 176.452 174.900 0.220 0.000 1.141 4 G CA 1.096 46.364 45.100 0.281 0.000 0.763 4 G HN 0.820 nan 8.290 nan 0.000 0.554 5 K N 0.633 121.100 120.400 0.111 0.000 2.009 5 K HA -0.129 4.190 4.320 -0.000 0.000 0.210 5 K C 2.550 179.182 176.600 0.053 0.000 1.049 5 K CA 1.905 58.231 56.287 0.066 0.000 0.929 5 K CB -0.468 32.045 32.500 0.022 0.000 0.714 5 K HN 0.428 nan 8.250 nan 0.000 0.440 6 Q N -1.252 118.571 119.800 0.039 0.000 2.084 6 Q HA -0.198 4.141 4.340 -0.000 0.000 0.202 6 Q C 2.023 178.047 176.000 0.040 0.000 0.978 6 Q CA 1.810 57.624 55.803 0.018 0.000 0.844 6 Q CB -0.394 28.339 28.738 -0.008 0.000 0.898 6 Q HN 0.471 nan 8.270 nan 0.000 0.426 7 Y N 1.455 121.738 120.300 -0.028 0.000 2.070 7 Y HA -0.245 4.305 4.550 -0.000 0.000 0.280 7 Y C 1.817 177.764 175.900 0.078 0.000 1.148 7 Y CA 1.512 59.626 58.100 0.023 0.000 1.125 7 Y CB -0.413 38.113 38.460 0.111 0.000 0.975 7 Y HN -0.007 nan 8.280 nan 0.000 0.492 8 L N 0.236 121.419 121.223 -0.067 0.000 2.043 8 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 8 L C 2.404 179.187 176.870 -0.144 0.000 1.075 8 L CA 2.017 56.773 54.840 -0.140 0.000 0.752 8 L CB -0.658 41.427 42.059 0.043 0.000 0.891 8 L HN 0.349 nan 8.230 nan 0.000 0.432 9 E N -0.222 119.930 120.200 -0.081 0.000 2.106 9 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 9 E C 2.251 178.799 176.600 -0.087 0.000 0.984 9 E CA 1.443 57.805 56.400 -0.063 0.000 0.806 9 E CB -0.069 29.611 29.700 -0.032 0.000 0.750 9 E HN 0.547 nan 8.360 nan 0.000 0.458 10 S N 0.442 116.072 115.700 -0.116 0.000 2.515 10 S HA -0.065 4.405 4.470 -0.000 0.000 0.231 10 S C 1.830 176.355 174.600 -0.126 0.000 0.987 10 S CA 0.357 58.501 58.200 -0.093 0.000 0.936 10 S CB -0.009 63.163 63.200 -0.047 0.000 0.766 10 S HN 0.046 nan 8.310 nan 0.000 0.528 11 L N 2.116 123.217 121.223 -0.204 0.000 2.156 11 L HA 0.267 4.607 4.340 -0.000 0.000 0.208 11 L C 1.178 177.979 176.870 -0.115 0.000 1.095 11 L CA 0.992 55.724 54.840 -0.180 0.000 0.770 11 L CB -1.469 40.458 42.059 -0.220 0.000 0.914 11 L HN 0.337 nan 8.230 nan 0.000 0.439 12 N N 0.909 119.553 118.700 -0.093 0.000 3.178 12 N HA -0.009 4.730 4.740 -0.000 0.000 0.300 12 N C -0.019 175.454 175.510 -0.061 0.000 1.242 12 N CA 0.119 53.127 53.050 -0.069 0.000 1.192 12 N CB -0.240 38.215 38.487 -0.053 0.000 1.463 12 N HN 0.269 nan 8.380 nan 0.000 0.539 13 D N -0.423 119.937 120.400 -0.067 0.000 2.513 13 D HA 0.203 4.843 4.640 -0.000 0.000 0.222 13 D C 1.037 177.301 176.300 -0.060 0.000 1.210 13 D CA -0.063 53.903 54.000 -0.057 0.000 0.825 13 D CB -0.334 40.433 40.800 -0.054 0.000 1.037 13 D HN 0.243 nan 8.370 nan 0.000 0.506 14 G N 1.797 110.556 108.800 -0.067 0.000 2.143 14 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.249 14 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.249 14 G C 0.311 175.162 174.900 -0.082 0.000 0.981 14 G CA 0.020 45.078 45.100 -0.069 0.000 0.665 14 G HN 0.723 nan 8.290 nan 0.000 0.528 15 R N -0.491 119.953 120.500 -0.094 0.000 2.698 15 R HA 0.377 4.717 4.340 -0.000 0.000 0.266 15 R C -0.289 175.939 176.300 -0.121 0.000 1.026 15 R CA -0.050 55.984 56.100 -0.109 0.000 1.102 15 R CB 0.751 30.981 30.300 -0.118 0.000 0.978 15 R HN 0.231 nan 8.270 nan 0.000 0.436 16 V N 3.916 123.756 119.914 -0.125 0.000 2.318 16 V HA 0.243 4.363 4.120 -0.000 0.000 0.271 16 V C -0.264 175.749 176.094 -0.136 0.000 1.030 16 V CA -0.575 61.651 62.300 -0.122 0.000 0.844 16 V CB 1.230 33.001 31.823 -0.087 0.000 1.015 16 V HN 0.555 nan 8.190 nan 0.000 0.460 17 V N 4.530 124.356 119.914 -0.147 0.000 2.483 17 V HA 0.483 4.602 4.120 -0.000 0.000 0.297 17 V C -1.008 175.022 176.094 -0.107 0.000 1.027 17 V CA -0.766 61.452 62.300 -0.137 0.000 0.855 17 V CB 1.966 33.673 31.823 -0.194 0.000 0.995 17 V HN 0.843 nan 8.190 nan 0.000 0.424 18 W N 3.538 124.640 121.300 -0.331 0.000 2.469 18 W HA 0.690 5.350 4.660 -0.001 0.000 0.320 18 W C -0.358 176.090 176.519 -0.118 0.000 1.086 18 W CA -0.776 56.444 57.345 -0.208 0.000 1.211 18 W CB 1.638 31.005 29.460 -0.156 0.000 1.298 18 W HN 0.268 nan 8.180 nan 0.000 0.525 19 V N 4.800 124.761 119.914 0.079 0.000 2.349 19 V HA 0.656 4.776 4.120 -0.000 0.000 0.284 19 V C 0.790 176.953 176.094 0.115 0.000 1.014 19 V CA -0.018 62.324 62.300 0.070 0.000 0.826 19 V CB 0.502 32.306 31.823 -0.031 0.000 1.009 19 V HN 0.967 nan 8.190 nan 0.000 0.431 20 G N 5.551 114.460 108.800 0.181 0.000 2.583 20 G HA2 -0.360 3.599 3.960 -0.000 0.000 0.292 20 G HA3 -0.360 3.599 3.960 -0.000 0.000 0.292 20 G C 0.729 175.805 174.900 0.293 0.000 1.203 20 G CA 0.983 46.195 45.100 0.188 0.000 0.987 20 G HN 0.691 nan 8.290 nan 0.000 0.554 21 N N 1.500 120.324 118.700 0.207 0.000 2.515 21 N HA 0.178 4.917 4.740 -0.000 0.000 0.185 21 N C 0.716 176.257 175.510 0.052 0.000 1.109 21 N CA 0.803 53.992 53.050 0.231 0.000 0.903 21 N CB 0.297 38.866 38.487 0.137 0.000 0.969 21 N HN 0.620 nan 8.380 nan 0.000 0.450 22 E N 1.465 121.634 120.200 -0.051 0.000 2.166 22 E HA 0.179 4.528 4.350 -0.000 0.000 0.275 22 E C -0.988 175.316 176.600 -0.493 0.000 0.941 22 E CA -0.713 55.529 56.400 -0.263 0.000 0.784 22 E CB 0.835 30.444 29.700 -0.151 0.000 1.115 22 E HN -0.033 nan 8.360 nan 0.000 0.399 23 K N 4.271 124.223 120.400 -0.746 0.000 2.349 23 K HA 0.201 4.520 4.320 -0.000 0.000 0.288 23 K C -0.172 176.175 176.600 -0.422 0.000 1.058 23 K CA -0.404 55.432 56.287 -0.751 0.000 0.953 23 K CB 0.640 32.678 32.500 -0.770 0.000 0.997 23 K HN 0.439 nan 8.250 nan 0.000 0.477 24 I N 3.499 123.848 120.570 -0.368 0.000 2.352 24 I HA -0.004 4.165 4.170 -0.000 0.000 0.290 24 I C 0.780 176.791 176.117 -0.177 0.000 1.036 24 I CA 0.135 61.253 61.300 -0.302 0.000 1.336 24 I CB 1.114 38.912 38.000 -0.336 0.000 1.407 24 I HN 0.659 nan 8.210 nan 0.000 0.497 25 D N 4.155 124.505 120.400 -0.083 0.000 2.123 25 D HA -0.056 4.584 4.640 -0.000 0.000 0.200 25 D C 0.752 177.022 176.300 -0.049 0.000 0.976 25 D CA 1.366 55.329 54.000 -0.061 0.000 0.831 25 D CB 0.273 41.056 40.800 -0.029 0.000 0.974 25 D HN 0.595 nan 8.370 nan 0.000 0.469 26 N N -0.685 118.007 118.700 -0.013 0.000 2.558 26 N HA 0.101 4.841 4.740 -0.000 0.000 0.285 26 N C 0.210 175.723 175.510 0.006 0.000 1.112 26 N CA -0.270 52.769 53.050 -0.018 0.000 0.857 26 N CB 1.481 39.964 38.487 -0.006 0.000 1.376 26 N HN -0.248 nan 8.380 nan 0.000 0.526 27 V N 2.652 122.534 119.914 -0.054 0.000 2.469 27 V HA -0.219 3.900 4.120 -0.000 0.000 0.251 27 V C 2.297 178.430 176.094 0.065 0.000 1.064 27 V CA 2.384 64.651 62.300 -0.055 0.000 1.066 27 V CB -0.600 31.088 31.823 -0.224 0.000 0.667 27 V HN 0.812 nan 8.190 nan 0.000 0.461 28 A N -1.549 121.291 122.820 0.034 0.000 2.121 28 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 28 A C 2.309 179.946 177.584 0.088 0.000 1.154 28 A CA 2.229 54.305 52.037 0.065 0.000 0.679 28 A CB -0.333 18.662 19.000 -0.009 0.000 0.795 28 A HN 0.492 nan 8.150 nan 0.000 0.458 29 T N -2.781 111.822 114.554 0.082 0.000 2.964 29 T HA 0.164 4.514 4.350 -0.000 0.000 0.250 29 T C 0.426 175.171 174.700 0.074 0.000 0.982 29 T CA -0.251 61.887 62.100 0.063 0.000 0.959 29 T CB -0.133 68.752 68.868 0.028 0.000 1.141 29 T HN 0.621 nan 8.240 nan 0.000 0.494 30 H N 2.411 121.494 119.070 0.022 0.000 2.928 30 H HA 0.101 4.656 4.556 -0.001 0.000 0.338 30 H C -1.780 173.574 175.328 0.044 0.000 1.047 30 H CA -1.079 54.980 56.048 0.019 0.000 1.435 30 H CB 1.261 31.024 29.762 0.002 0.000 1.428 30 H HN -0.049 nan 8.280 nan 0.000 0.590 31 P HA -0.193 nan 4.420 nan 0.000 0.217 31 P C 1.059 178.462 177.300 0.171 0.000 1.148 31 P CA 0.849 63.949 63.100 0.000 0.000 0.828 31 P CB 0.248 31.883 31.700 -0.109 0.000 0.783 32 L N -1.320 120.152 121.223 0.416 0.000 2.313 32 L HA 0.001 4.340 4.340 -0.000 0.000 0.214 32 L C 1.882 178.906 176.870 0.257 0.000 1.119 32 L CA 2.055 57.076 54.840 0.301 0.000 0.809 32 L CB -1.624 40.588 42.059 0.256 0.000 0.933 32 L HN 0.149 nan 8.230 nan 0.000 0.449 33 T N -5.225 109.507 114.554 0.296 0.000 2.969 33 T HA 0.048 4.398 4.350 -0.000 0.000 0.258 33 T C 1.776 176.716 174.700 0.399 0.000 0.962 33 T CA -0.017 62.312 62.100 0.382 0.000 0.903 33 T CB -0.049 68.987 68.868 0.281 0.000 1.177 33 T HN 0.262 nan 8.240 nan 0.000 0.511 34 R N 1.910 122.570 120.500 0.267 0.000 2.120 34 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 34 R C 1.291 177.695 176.300 0.173 0.000 1.123 34 R CA 1.711 57.935 56.100 0.206 0.000 0.975 34 R CB -0.716 29.663 30.300 0.131 0.000 0.866 34 R HN 0.269 nan 8.270 nan 0.000 0.446 35 D N 0.348 120.844 120.400 0.159 0.000 2.097 35 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 35 D C 1.747 178.099 176.300 0.086 0.000 0.984 35 D CA 1.297 55.364 54.000 0.113 0.000 0.826 35 D CB -0.304 40.559 40.800 0.104 0.000 0.973 35 D HN 0.304 nan 8.370 nan 0.000 0.460 36 Y N 1.751 122.016 120.300 -0.058 0.000 2.242 36 Y HA -0.141 4.409 4.550 -0.000 0.000 0.291 36 Y C 2.360 178.089 175.900 -0.285 0.000 1.137 36 Y CA 1.545 59.452 58.100 -0.323 0.000 1.181 36 Y CB -0.043 38.057 38.460 -0.600 0.000 0.989 36 Y HN -0.079 nan 8.280 nan 0.000 0.527 37 A N 0.464 123.257 122.820 -0.044 0.000 1.917 37 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 37 A C 1.977 179.631 177.584 0.117 0.000 1.182 37 A CA 2.154 54.299 52.037 0.180 0.000 0.633 37 A CB -0.717 18.526 19.000 0.405 0.000 0.819 37 A HN 0.661 nan 8.150 nan 0.000 0.448 38 E N -0.980 119.256 120.200 0.060 0.000 2.347 38 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 38 E C 2.161 178.749 176.600 -0.020 0.000 1.008 38 E CA 0.271 56.708 56.400 0.062 0.000 0.852 38 E CB -0.013 29.728 29.700 0.068 0.000 0.783 38 E HN 0.365 nan 8.360 nan 0.000 0.505 39 R N 0.273 120.671 120.500 -0.170 0.000 2.073 39 R HA -0.053 4.286 4.340 -0.000 0.000 0.229 39 R C 2.324 178.457 176.300 -0.277 0.000 1.120 39 R CA 0.720 56.688 56.100 -0.219 0.000 0.967 39 R CB -0.750 29.313 30.300 -0.394 0.000 0.862 39 R HN 0.121 nan 8.270 nan 0.000 0.436 40 V N 1.473 121.103 119.914 -0.473 0.000 2.358 40 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 40 V C 2.577 178.548 176.094 -0.204 0.000 1.047 40 V CA 1.757 63.769 62.300 -0.480 0.000 1.035 40 V CB -0.900 30.498 31.823 -0.709 0.000 0.658 40 V HN 0.289 nan 8.190 nan 0.000 0.452 41 A N -0.577 122.261 122.820 0.030 0.000 1.908 41 A HA -0.343 3.977 4.320 -0.000 0.000 0.218 41 A C 2.276 179.975 177.584 0.192 0.000 1.181 41 A CA 2.314 54.502 52.037 0.252 0.000 0.627 41 A CB -0.590 18.580 19.000 0.282 0.000 0.818 41 A HN 0.615 nan 8.150 nan 0.000 0.445 42 Q N -1.609 118.250 119.800 0.099 0.000 2.084 42 Q HA -0.200 4.139 4.340 -0.000 0.000 0.202 42 Q C 1.876 177.924 176.000 0.081 0.000 0.978 42 Q CA 1.787 57.639 55.803 0.082 0.000 0.844 42 Q CB -0.298 28.470 28.738 0.050 0.000 0.898 42 Q HN 0.686 nan 8.270 nan 0.000 0.426 43 F N 0.282 120.169 119.950 -0.105 0.000 2.065 43 F HA -0.306 4.221 4.527 -0.001 0.000 0.298 43 F C 1.536 177.349 175.800 0.022 0.000 1.112 43 F CA 1.910 59.820 58.000 -0.150 0.000 1.212 43 F CB -0.568 38.215 39.000 -0.361 0.000 0.975 43 F HN 0.133 nan 8.300 nan 0.000 0.476 44 Y N 0.502 120.902 120.300 0.166 0.000 2.163 44 Y HA -0.232 4.318 4.550 -0.000 0.000 0.288 44 Y C 2.465 178.507 175.900 0.237 0.000 1.136 44 Y CA 1.211 59.404 58.100 0.154 0.000 1.147 44 Y CB -0.542 38.043 38.460 0.208 0.000 0.987 44 Y HN 0.053 nan 8.280 nan 0.000 0.509 45 D N -0.124 120.475 120.400 0.332 0.000 2.178 45 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 45 D C 2.048 178.472 176.300 0.206 0.000 0.980 45 D CA 0.713 54.881 54.000 0.279 0.000 0.842 45 D CB -0.297 40.593 40.800 0.150 0.000 0.948 45 D HN 0.179 nan 8.370 nan 0.000 0.472 46 L N 1.092 122.346 121.223 0.051 0.000 2.081 46 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 46 L C 2.008 178.785 176.870 -0.155 0.000 1.080 46 L CA 1.681 56.450 54.840 -0.117 0.000 0.754 46 L CB -0.917 40.958 42.059 -0.307 0.000 0.893 46 L HN 0.282 nan 8.230 nan 0.000 0.433 47 H N -2.357 116.655 119.070 -0.095 0.000 2.546 47 H HA -0.045 4.510 4.556 -0.000 0.000 0.277 47 H C 1.216 176.419 175.328 -0.210 0.000 1.004 47 H CA 1.021 56.977 56.048 -0.154 0.000 1.231 47 H CB 0.035 29.674 29.762 -0.204 0.000 1.382 47 H HN 0.551 nan 8.280 nan 0.000 0.580 48 H N -0.295 118.834 119.070 0.099 0.000 2.551 48 H HA 0.134 4.690 4.556 -0.000 0.000 0.271 48 H C 0.707 176.054 175.328 0.031 0.000 0.984 48 H CA -0.222 55.866 56.048 0.066 0.000 1.164 48 H CB 0.502 30.303 29.762 0.065 0.000 1.437 48 H HN -0.075 nan 8.280 nan 0.000 0.550 49 R N 1.966 122.520 120.500 0.089 0.000 2.404 49 R HA -0.018 4.322 4.340 -0.000 0.000 0.315 49 R C -1.828 174.488 176.300 0.027 0.000 1.032 49 R CA -1.080 55.045 56.100 0.041 0.000 0.992 49 R CB 0.398 30.697 30.300 -0.002 0.000 0.959 49 R HN 0.272 nan 8.270 nan 0.000 0.428 50 P HA -0.187 nan 4.420 nan 0.000 0.216 50 P C 0.678 177.985 177.300 0.011 0.000 1.153 50 P CA 1.324 64.438 63.100 0.024 0.000 0.858 50 P CB 0.137 31.851 31.700 0.023 0.000 0.789 51 D N -0.818 119.585 120.400 0.005 0.000 2.347 51 D HA -0.076 4.563 4.640 -0.000 0.000 0.215 51 D C 1.369 177.664 176.300 -0.009 0.000 0.976 51 D CA 0.736 54.735 54.000 -0.002 0.000 0.884 51 D CB -0.512 40.286 40.800 -0.005 0.000 0.915 51 D HN 0.265 nan 8.370 nan 0.000 0.526 52 L N 0.013 121.227 121.223 -0.015 0.000 2.728 52 L HA 0.160 4.500 4.340 -0.000 0.000 0.238 52 L C 2.413 179.276 176.870 -0.013 0.000 1.143 52 L CA -0.167 54.656 54.840 -0.030 0.000 0.937 52 L CB 0.049 42.067 42.059 -0.068 0.000 1.225 52 L HN -0.061 nan 8.230 nan 0.000 0.507 53 Q N 0.879 120.681 119.800 0.003 0.000 2.135 53 Q HA -0.240 4.099 4.340 -0.000 0.000 0.204 53 Q C 1.196 177.215 176.000 0.032 0.000 0.981 53 Q CA 2.063 57.876 55.803 0.017 0.000 0.856 53 Q CB 0.276 29.023 28.738 0.016 0.000 0.902 53 Q HN 0.446 nan 8.270 nan 0.000 0.425 54 D N -0.406 120.009 120.400 0.025 0.000 2.091 54 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 54 D C 1.993 178.317 176.300 0.041 0.000 0.980 54 D CA 1.754 55.774 54.000 0.033 0.000 0.831 54 D CB -0.236 40.577 40.800 0.022 0.000 0.987 54 D HN 0.315 nan 8.370 nan 0.000 0.460 55 V N -0.469 119.463 119.914 0.030 0.000 2.515 55 V HA -0.090 4.030 4.120 -0.000 0.000 0.250 55 V C 2.220 178.379 176.094 0.108 0.000 1.058 55 V CA 1.160 63.484 62.300 0.041 0.000 1.064 55 V CB -0.651 31.176 31.823 0.007 0.000 0.675 55 V HN 0.127 nan 8.190 nan 0.000 0.461 56 L N 0.276 121.564 121.223 0.107 0.000 2.609 56 L HA 0.262 4.602 4.340 -0.000 0.000 0.230 56 L C 1.131 178.137 176.870 0.227 0.000 1.087 56 L CA 0.868 55.839 54.840 0.218 0.000 0.874 56 L CB 0.413 42.473 42.059 0.003 0.000 1.114 56 L HN 0.622 nan 8.230 nan 0.000 0.488 57 T N -1.787 112.861 114.554 0.157 0.000 2.916 57 T HA 0.613 4.962 4.350 -0.000 0.000 0.292 57 T C -0.725 174.133 174.700 0.263 0.000 1.064 57 T CA -0.602 61.615 62.100 0.194 0.000 1.011 57 T CB 2.525 71.456 68.868 0.104 0.000 1.152 57 T HN 0.084 nan 8.240 nan 0.000 0.510 58 F N -0.700 119.239 119.950 -0.018 0.000 2.686 58 F HA 0.771 5.298 4.527 -0.000 0.000 0.311 58 F C -1.808 173.987 175.800 -0.009 0.000 1.128 58 F CA -1.657 56.332 58.000 -0.017 0.000 0.946 58 F CB 1.117 40.099 39.000 -0.030 0.000 1.336 58 F HN 0.456 nan 8.300 nan 0.000 0.457 59 V N 2.450 122.202 119.914 -0.270 0.000 2.406 59 V HA 0.185 4.305 4.120 -0.000 0.000 0.272 59 V C -0.118 175.642 176.094 -0.557 0.000 1.043 59 V CA -0.245 61.828 62.300 -0.379 0.000 0.915 59 V CB 0.658 32.395 31.823 -0.143 0.000 0.988 59 V HN 0.719 nan 8.190 nan 0.000 0.466 60 D N 3.555 123.545 120.400 -0.683 0.000 2.384 60 D HA 0.315 4.955 4.640 -0.000 0.000 0.244 60 D C 1.168 177.371 176.300 -0.163 0.000 1.251 60 D CA 0.366 54.082 54.000 -0.473 0.000 0.961 60 D CB 1.712 42.279 40.800 -0.390 0.000 1.116 60 D HN 0.524 nan 8.370 nan 0.000 0.484 61 A N 0.838 123.628 122.820 -0.050 0.000 2.067 61 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 61 A C 1.126 178.681 177.584 -0.048 0.000 1.158 61 A CA 1.618 53.643 52.037 -0.020 0.000 0.661 61 A CB -0.326 18.684 19.000 0.015 0.000 0.801 61 A HN 0.601 nan 8.150 nan 0.000 0.452 62 D N -1.796 118.557 120.400 -0.077 0.000 2.325 62 D HA 0.293 4.933 4.640 -0.000 0.000 0.234 62 D C 1.037 177.284 176.300 -0.089 0.000 1.122 62 D CA 0.492 54.444 54.000 -0.079 0.000 0.850 62 D CB -0.859 39.888 40.800 -0.089 0.000 0.921 62 D HN 0.641 nan 8.370 nan 0.000 0.513 63 G N -0.439 108.302 108.800 -0.099 0.000 2.176 63 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.252 63 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.252 63 G C -0.055 174.773 174.900 -0.120 0.000 1.024 63 G CA 0.334 45.375 45.100 -0.097 0.000 0.755 63 G HN 0.403 nan 8.290 nan 0.000 0.507 64 V N 0.191 120.005 119.914 -0.165 0.000 2.417 64 V HA 0.489 4.609 4.120 -0.000 0.000 0.291 64 V C 0.898 176.845 176.094 -0.245 0.000 1.024 64 V CA -0.997 61.199 62.300 -0.173 0.000 0.861 64 V CB 1.707 33.430 31.823 -0.166 0.000 0.985 64 V HN 0.460 nan 8.190 nan 0.000 0.436 65 R N 4.872 125.261 120.500 -0.186 0.000 2.351 65 R HA 0.378 4.718 4.340 -0.000 0.000 0.318 65 R C -0.132 176.063 176.300 -0.174 0.000 1.055 65 R CA 0.110 56.092 56.100 -0.196 0.000 0.968 65 R CB 0.278 30.515 30.300 -0.105 0.000 0.974 65 R HN 0.720 nan 8.270 nan 0.000 0.439 66 R N 1.827 122.193 120.500 -0.224 0.000 2.888 66 R HA 0.246 4.585 4.340 -0.000 0.000 0.264 66 R C -0.709 175.713 176.300 0.204 0.000 1.045 66 R CA -0.922 55.171 56.100 -0.012 0.000 0.962 66 R CB 1.820 32.123 30.300 0.006 0.000 1.210 66 R HN 0.581 nan 8.270 nan 0.000 0.479 67 S N 0.086 115.965 115.700 0.298 0.000 2.572 67 S HA 0.030 4.500 4.470 -0.000 0.000 0.279 67 S C 0.892 175.581 174.600 0.148 0.000 1.341 67 S CA -0.138 58.164 58.200 0.169 0.000 1.043 67 S CB 0.612 63.721 63.200 -0.152 0.000 0.887 67 S HN 0.510 nan 8.310 nan 0.000 0.516 68 R N 1.796 122.156 120.500 -0.232 0.000 2.357 68 R HA -0.079 4.260 4.340 -0.000 0.000 0.202 68 R C 2.250 177.937 176.300 -1.022 0.000 1.047 68 R CA 1.085 56.782 56.100 -0.672 0.000 1.034 68 R CB -0.204 29.647 30.300 -0.749 0.000 0.875 68 R HN 0.862 nan 8.270 nan 0.000 0.473 69 Q N -0.615 118.584 119.800 -1.002 0.000 2.291 69 Q HA -0.160 4.180 4.340 -0.000 0.000 0.205 69 Q C 0.752 176.404 176.000 -0.579 0.000 0.970 69 Q CA 1.231 56.562 55.803 -0.785 0.000 0.876 69 Q CB -0.136 28.258 28.738 -0.574 0.000 0.935 69 Q HN 0.453 nan 8.270 nan 0.000 0.455 70 W N 1.133 122.390 121.300 -0.071 0.000 3.278 70 W HA 0.259 4.919 4.660 -0.000 0.000 0.308 70 W C 0.621 177.145 176.519 0.009 0.000 1.253 70 W CA -0.803 56.590 57.345 0.079 0.000 1.759 70 W CB 0.520 30.079 29.460 0.165 0.000 1.093 70 W HN 0.148 nan 8.180 nan 0.000 0.648 71 Q N 1.505 121.159 119.800 -0.243 0.000 2.259 71 Q HA 0.092 4.432 4.340 -0.000 0.000 0.249 71 Q C -0.562 175.291 176.000 -0.244 0.000 0.914 71 Q CA -0.206 55.264 55.803 -0.555 0.000 0.904 71 Q CB 0.884 28.849 28.738 -1.289 0.000 1.213 71 Q HN -0.118 nan 8.270 nan 0.000 0.428 72 D N 5.638 125.984 120.400 -0.091 0.000 2.232 72 D HA 0.306 4.946 4.640 -0.000 0.000 0.242 72 D C -2.356 173.932 176.300 -0.021 0.000 1.093 72 D CA -1.422 52.597 54.000 0.031 0.000 0.845 72 D CB 1.428 42.304 40.800 0.126 0.000 1.124 72 D HN 0.388 nan 8.370 nan 0.000 0.467 73 P HA 0.263 nan 4.420 nan 0.000 0.280 73 P C 0.010 177.408 177.300 0.163 0.000 1.244 73 P CA -0.339 62.794 63.100 0.055 0.000 0.784 73 P CB 1.205 32.968 31.700 0.105 0.000 0.913 74 K N 0.825 121.308 120.400 0.138 0.000 2.440 74 K HA 0.158 4.478 4.320 -0.000 0.000 0.207 74 K C -0.264 176.466 176.600 0.217 0.000 1.112 74 K CA 0.087 56.504 56.287 0.216 0.000 1.036 74 K CB 0.490 33.074 32.500 0.141 0.000 0.935 74 K HN 0.604 nan 8.250 nan 0.000 0.564 75 D N -2.400 117.988 120.400 -0.021 0.000 2.665 75 D HA 0.235 4.875 4.640 -0.000 0.000 0.287 75 D C 0.454 176.442 176.300 -0.520 0.000 1.266 75 D CA -0.477 53.292 54.000 -0.385 0.000 0.830 75 D CB 0.405 41.095 40.800 -0.183 0.000 1.356 75 D HN -0.154 nan 8.370 nan 0.000 0.437 76 A N 0.442 122.799 122.820 -0.771 0.000 1.892 76 A HA 0.023 4.343 4.320 -0.000 0.000 0.218 76 A C 2.173 179.707 177.584 -0.082 0.000 1.188 76 A CA 3.350 55.192 52.037 -0.326 0.000 0.631 76 A CB -1.423 17.458 19.000 -0.198 0.000 0.822 76 A HN 0.912 nan 8.150 nan 0.000 0.447 77 A N -0.729 122.036 122.820 -0.092 0.000 1.908 77 A HA 0.084 4.404 4.320 -0.000 0.000 0.218 77 A C 2.439 180.015 177.584 -0.014 0.000 1.181 77 A CA 2.064 54.081 52.037 -0.033 0.000 0.627 77 A CB -1.413 17.566 19.000 -0.035 0.000 0.818 77 A HN 0.825 nan 8.150 nan 0.000 0.445 78 G N -0.501 108.283 108.800 -0.026 0.000 2.408 78 G HA2 -0.104 3.855 3.960 -0.000 0.000 0.217 78 G HA3 -0.104 3.855 3.960 -0.000 0.000 0.217 78 G C 1.452 176.361 174.900 0.016 0.000 1.150 78 G CA 1.111 46.203 45.100 -0.013 0.000 0.776 78 G HN 0.451 nan 8.290 nan 0.000 0.542 79 L N 0.618 121.887 121.223 0.077 0.000 2.046 79 L HA 0.062 4.402 4.340 -0.000 0.000 0.208 79 L C 2.830 179.786 176.870 0.142 0.000 1.077 79 L CA 1.544 56.475 54.840 0.152 0.000 0.747 79 L CB -0.412 41.805 42.059 0.263 0.000 0.896 79 L HN 0.124 nan 8.230 nan 0.000 0.432 80 R N -1.543 119.020 120.500 0.105 0.000 2.148 80 R HA -0.076 4.264 4.340 -0.000 0.000 0.227 80 R C 2.121 178.457 176.300 0.059 0.000 1.103 80 R CA 1.183 57.340 56.100 0.094 0.000 0.983 80 R CB -0.397 29.944 30.300 0.068 0.000 0.874 80 R HN 0.289 nan 8.270 nan 0.000 0.451 81 V N 1.496 121.424 119.914 0.025 0.000 2.358 81 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 81 V C 2.462 178.542 176.094 -0.024 0.000 1.047 81 V CA 1.630 63.926 62.300 -0.007 0.000 1.035 81 V CB -0.430 31.369 31.823 -0.041 0.000 0.658 81 V HN 0.299 nan 8.190 nan 0.000 0.452 82 K N 0.398 120.773 120.400 -0.042 0.000 2.009 82 K HA -0.270 4.050 4.320 -0.000 0.000 0.210 82 K C 2.391 178.999 176.600 0.014 0.000 1.049 82 K CA 2.196 58.425 56.287 -0.096 0.000 0.929 82 K CB -0.210 32.242 32.500 -0.080 0.000 0.714 82 K HN 0.352 nan 8.250 nan 0.000 0.440 83 R N 1.166 121.762 120.500 0.159 0.000 2.091 83 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 83 R C 2.289 178.638 176.300 0.083 0.000 1.136 83 R CA 2.084 58.297 56.100 0.189 0.000 0.959 83 R CB -0.188 30.221 30.300 0.182 0.000 0.856 83 R HN 0.105 nan 8.270 nan 0.000 0.437 84 K N -0.622 119.808 120.400 0.050 0.000 2.152 84 K HA -0.244 4.076 4.320 -0.000 0.000 0.206 84 K C 1.983 178.577 176.600 -0.009 0.000 1.048 84 K CA 1.648 57.945 56.287 0.017 0.000 0.933 84 K CB -0.345 32.166 32.500 0.018 0.000 0.721 84 K HN 0.324 nan 8.250 nan 0.000 0.447 85 Y N 0.939 121.153 120.300 -0.143 0.000 2.114 85 Y HA -0.293 4.257 4.550 -0.000 0.000 0.284 85 Y C 2.151 177.955 175.900 -0.160 0.000 1.143 85 Y CA 1.985 59.961 58.100 -0.207 0.000 1.135 85 Y CB -0.426 37.828 38.460 -0.344 0.000 0.980 85 Y HN 0.216 nan 8.280 nan 0.000 0.499 86 H N 0.412 119.389 119.070 -0.154 0.000 2.352 86 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 86 H C 2.077 177.277 175.328 -0.213 0.000 1.097 86 H CA 1.928 57.855 56.048 -0.202 0.000 1.311 86 H CB -0.382 29.383 29.762 0.004 0.000 1.377 86 H HN 0.587 nan 8.280 nan 0.000 0.504 87 E N -0.114 120.060 120.200 -0.043 0.000 2.153 87 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 87 E C 2.067 178.609 176.600 -0.097 0.000 0.988 87 E CA 1.398 57.756 56.400 -0.071 0.000 0.811 87 E CB 0.030 29.702 29.700 -0.046 0.000 0.746 87 E HN 0.388 nan 8.360 nan 0.000 0.466 88 T N 1.485 115.953 114.554 -0.143 0.000 2.746 88 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 88 T C 1.843 176.435 174.700 -0.180 0.000 1.039 88 T CA 0.713 62.721 62.100 -0.154 0.000 1.142 88 T CB -0.032 68.731 68.868 -0.175 0.000 0.866 88 T HN 0.060 nan 8.240 nan 0.000 0.444 89 I N 0.998 121.415 120.570 -0.255 0.000 2.142 89 I HA -0.081 4.089 4.170 -0.000 0.000 0.240 89 I C 2.303 178.384 176.117 -0.060 0.000 1.078 89 I CA 1.057 62.247 61.300 -0.182 0.000 1.343 89 I CB -1.364 36.536 38.000 -0.167 0.000 1.046 89 I HN 0.197 nan 8.210 nan 0.000 0.405 90 L N 0.703 121.897 121.223 -0.048 0.000 2.012 90 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 90 L C 2.701 179.552 176.870 -0.032 0.000 1.073 90 L CA 1.750 56.575 54.840 -0.024 0.000 0.748 90 L CB -1.141 40.884 42.059 -0.055 0.000 0.891 90 L HN 0.245 nan 8.230 nan 0.000 0.431 91 R N -0.904 119.569 120.500 -0.045 0.000 2.152 91 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 91 R C 1.885 178.166 176.300 -0.032 0.000 1.117 91 R CA 0.716 56.794 56.100 -0.036 0.000 0.981 91 R CB -0.056 30.221 30.300 -0.039 0.000 0.870 91 R HN 0.401 nan 8.270 nan 0.000 0.451 92 E N 0.157 120.334 120.200 -0.038 0.000 2.318 92 E HA 0.085 4.434 4.350 -0.000 0.000 0.193 92 E C 0.285 176.882 176.600 -0.005 0.000 0.998 92 E CA 0.501 56.882 56.400 -0.033 0.000 0.859 92 E CB 0.511 30.175 29.700 -0.060 0.000 0.812 92 E HN 0.265 nan 8.360 nan 0.000 0.492 93 I N 0.985 121.565 120.570 0.016 0.000 2.390 93 I HA 0.238 4.408 4.170 -0.000 0.000 0.283 93 I C 0.193 176.330 176.117 0.034 0.000 1.016 93 I CA -0.664 60.677 61.300 0.069 0.000 1.151 93 I CB 1.482 39.567 38.000 0.142 0.000 1.293 93 I HN -0.127 nan 8.210 nan 0.000 0.458 94 A N 5.381 128.212 122.820 0.017 0.000 2.704 94 A HA -0.112 4.208 4.320 -0.000 0.000 0.299 94 A C 1.282 178.817 177.584 -0.081 0.000 1.507 94 A CA 0.900 52.901 52.037 -0.061 0.000 0.776 94 A CB -1.531 17.337 19.000 -0.221 0.000 1.027 94 A HN 2.139 nan 8.150 nan 0.000 0.475 95 A N -1.754 121.043 122.820 -0.039 0.000 2.822 95 A HA 0.336 4.656 4.320 -0.000 0.000 0.287 95 A C 1.683 179.242 177.584 -0.043 0.000 1.479 95 A CA 1.496 53.517 52.037 -0.027 0.000 0.779 95 A CB -2.111 16.886 19.000 -0.004 0.000 1.022 95 A HN 3.092 nan 8.150 nan 0.000 0.532 96 G N -2.180 106.585 108.800 -0.059 0.000 2.305 96 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.287 96 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.287 96 G C 0.765 175.604 174.900 -0.102 0.000 1.036 96 G CA 0.892 45.956 45.100 -0.060 0.000 0.887 96 G HN 1.625 nan 8.290 nan 0.000 0.505 97 S N -1.316 114.247 115.700 -0.227 0.000 2.501 97 S HA 0.230 4.699 4.470 -0.000 0.000 0.220 97 S C 0.572 174.971 174.600 -0.334 0.000 0.997 97 S CA 0.318 58.315 58.200 -0.339 0.000 0.919 97 S CB 0.159 63.118 63.200 -0.403 0.000 0.778 97 S HN 0.487 nan 8.310 nan 0.000 0.523 98 Y N 0.759 121.065 120.300 0.010 0.000 2.320 98 Y HA 0.568 5.118 4.550 -0.000 0.000 0.334 98 Y C 1.324 177.241 175.900 0.028 0.000 1.055 98 Y CA -1.375 56.724 58.100 -0.002 0.000 1.143 98 Y CB 0.721 39.251 38.460 0.117 0.000 1.193 98 Y HN 0.035 nan 8.280 nan 0.000 0.477 99 G N 2.151 111.059 108.800 0.181 0.000 2.887 99 G HA2 0.024 3.984 3.960 -0.000 0.000 0.211 99 G HA3 0.024 3.984 3.960 -0.000 0.000 0.211 99 G C 0.829 175.848 174.900 0.198 0.000 1.152 99 G CA -0.110 45.149 45.100 0.265 0.000 0.769 99 G HN 0.325 nan 8.290 nan 0.000 0.541 100 R N 0.502 121.078 120.500 0.126 0.000 2.734 100 R HA 0.332 4.672 4.340 -0.000 0.000 0.395 100 R C -0.192 176.049 176.300 -0.098 0.000 1.096 100 R CA -0.339 55.802 56.100 0.068 0.000 1.071 100 R CB -0.149 30.330 30.300 0.298 0.000 1.348 100 R HN 0.221 nan 8.270 nan 0.000 0.600 101 L N 1.056 122.134 121.223 -0.243 0.000 2.473 101 L HA 0.122 4.461 4.340 -0.000 0.000 0.268 101 L C -0.885 175.473 176.870 -0.854 0.000 1.215 101 L CA -1.427 53.101 54.840 -0.520 0.000 0.823 101 L CB 0.275 42.022 42.059 -0.520 0.000 1.099 101 L HN -0.155 nan 8.230 nan 0.000 0.483 102 P HA -0.212 nan 4.420 nan 0.000 0.217 102 P C 0.863 177.784 177.300 -0.631 0.000 1.151 102 P CA 1.429 64.103 63.100 -0.710 0.000 0.849 102 P CB -0.040 31.303 31.700 -0.595 0.000 0.787 103 D N -0.772 119.295 120.400 -0.556 0.000 2.310 103 D HA -0.082 4.558 4.640 -0.000 0.000 0.212 103 D C 1.639 177.729 176.300 -0.350 0.000 0.965 103 D CA 1.159 55.057 54.000 -0.171 0.000 0.879 103 D CB -0.756 40.264 40.800 0.366 0.000 0.921 103 D HN 0.127 nan 8.370 nan 0.000 0.510 104 A N 0.917 123.305 122.820 -0.720 0.000 1.897 104 A HA -0.137 4.182 4.320 -0.000 0.000 0.215 104 A C 1.812 179.144 177.584 -0.419 0.000 1.181 104 A CA 1.665 53.137 52.037 -0.940 0.000 0.620 104 A CB -0.778 17.635 19.000 -0.977 0.000 0.821 104 A HN 0.540 nan 8.150 nan 0.000 0.443 105 H N -2.779 116.205 119.070 -0.144 0.000 2.885 105 H HA 0.303 4.859 4.556 -0.000 0.000 0.260 105 H C 1.332 176.729 175.328 0.114 0.000 0.985 105 H CA 0.388 56.419 56.048 -0.028 0.000 1.210 105 H CB -0.893 28.868 29.762 -0.003 0.000 1.466 105 H HN 0.479 nan 8.280 nan 0.000 0.493 106 N N -0.199 118.696 118.700 0.325 0.000 2.244 106 N HA -0.172 4.568 4.740 -0.000 0.000 0.183 106 N C 0.795 176.526 175.510 0.370 0.000 1.016 106 N CA 0.772 54.062 53.050 0.399 0.000 0.866 106 N CB -0.134 38.424 38.487 0.118 0.000 0.980 106 N HN 0.230 nan 8.380 nan 0.000 0.430 107 Y N 1.744 122.080 120.300 0.061 0.000 2.571 107 Y HA -0.108 4.442 4.550 -0.000 0.000 0.294 107 Y C 2.491 178.426 175.900 0.059 0.000 1.141 107 Y CA 1.026 59.114 58.100 -0.020 0.000 1.308 107 Y CB -0.400 37.926 38.460 -0.224 0.000 1.002 107 Y HN 0.092 nan 8.280 nan 0.000 0.551 108 T N -3.146 111.510 114.554 0.169 0.000 2.929 108 T HA -0.227 4.123 4.350 -0.000 0.000 0.271 108 T C 1.660 176.385 174.700 0.041 0.000 1.085 108 T CA 1.172 63.336 62.100 0.106 0.000 1.125 108 T CB -0.995 67.855 68.868 -0.030 0.000 0.874 108 T HN 0.272 nan 8.240 nan 0.000 0.494 109 F N 2.861 122.884 119.950 0.122 0.000 2.333 109 F HA -0.016 4.510 4.527 -0.000 0.000 0.300 109 F C 2.861 178.709 175.800 0.080 0.000 1.083 109 F CA 1.385 59.502 58.000 0.195 0.000 1.395 109 F CB -0.822 38.275 39.000 0.162 0.000 1.056 109 F HN 0.369 nan 8.300 nan 0.000 0.529 110 T N -4.035 110.517 114.554 -0.003 0.000 2.929 110 T HA -0.181 4.169 4.350 -0.000 0.000 0.271 110 T C 1.899 176.629 174.700 0.049 0.000 1.085 110 T CA 1.660 63.701 62.100 -0.099 0.000 1.125 110 T CB -0.905 67.650 68.868 -0.522 0.000 0.874 110 T HN 0.192 nan 8.240 nan 0.000 0.494 111 T N 1.144 115.733 114.554 0.060 0.000 2.720 111 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 111 T C 1.415 176.175 174.700 0.100 0.000 1.037 111 T CA 1.729 63.879 62.100 0.083 0.000 1.144 111 T CB -0.613 68.249 68.868 -0.009 0.000 0.864 111 T HN 0.626 nan 8.240 nan 0.000 0.444 112 Y N 1.333 121.671 120.300 0.064 0.000 2.200 112 Y HA 0.007 4.556 4.550 -0.000 0.000 0.290 112 Y C 2.796 178.726 175.900 0.050 0.000 1.137 112 Y CA 0.683 58.745 58.100 -0.064 0.000 1.163 112 Y CB -0.644 37.579 38.460 -0.395 0.000 0.988 112 Y HN 0.185 nan 8.280 nan 0.000 0.518 113 A N 0.258 123.201 122.820 0.206 0.000 1.940 113 A HA -0.219 4.100 4.320 -0.000 0.000 0.219 113 A C 1.842 179.542 177.584 0.193 0.000 1.176 113 A CA 2.018 54.159 52.037 0.173 0.000 0.631 113 A CB -0.720 18.360 19.000 0.135 0.000 0.814 113 A HN 0.375 nan 8.150 nan 0.000 0.446 114 D N -0.395 120.125 120.400 0.200 0.000 2.158 114 D HA -0.090 4.550 4.640 -0.000 0.000 0.197 114 D C 0.049 176.484 176.300 0.224 0.000 0.995 114 D CA 1.755 55.880 54.000 0.208 0.000 0.846 114 D CB -0.005 40.928 40.800 0.223 0.000 0.941 114 D HN 0.487 nan 8.370 nan 0.000 0.456 115 D N -2.221 118.341 120.400 0.270 0.000 2.362 115 D HA 0.100 4.740 4.640 -0.000 0.000 0.232 115 D C -2.348 174.149 176.300 0.329 0.000 1.329 115 D CA -1.222 52.932 54.000 0.257 0.000 0.944 115 D CB 1.374 42.316 40.800 0.237 0.000 1.471 115 D HN -0.188 nan 8.370 nan 0.000 0.533 116 P HA 0.014 nan 4.420 nan 0.000 0.218 116 P C 0.974 178.422 177.300 0.247 0.000 1.152 116 P CA 0.730 63.967 63.100 0.228 0.000 0.826 116 P CB 0.686 32.362 31.700 -0.041 0.000 0.790 117 E N -0.281 120.018 120.200 0.165 0.000 2.110 117 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 117 E C 2.027 178.667 176.600 0.067 0.000 0.988 117 E CA 0.682 57.149 56.400 0.111 0.000 0.804 117 E CB -1.489 28.262 29.700 0.085 0.000 0.745 117 E HN -0.023 nan 8.360 nan 0.000 0.458 118 V N -0.531 119.385 119.914 0.003 0.000 2.469 118 V HA -0.236 3.883 4.120 -0.000 0.000 0.251 118 V C 1.289 177.175 176.094 -0.347 0.000 1.064 118 V CA 1.696 63.875 62.300 -0.202 0.000 1.066 118 V CB -0.360 31.253 31.823 -0.350 0.000 0.667 118 V HN 0.426 nan 8.190 nan 0.000 0.461 119 W N 0.448 121.652 121.300 -0.161 0.000 2.363 119 W HA -0.102 4.558 4.660 -0.001 0.000 0.296 119 W C 2.530 179.069 176.519 0.034 0.000 1.212 119 W CA 1.637 58.911 57.345 -0.119 0.000 1.260 119 W CB -0.223 29.293 29.460 0.095 0.000 1.131 119 W HN 0.361 nan 8.180 nan 0.000 0.530 120 E N 1.175 121.501 120.200 0.210 0.000 2.042 120 E HA -0.201 4.149 4.350 -0.000 0.000 0.189 120 E C 2.203 178.817 176.600 0.024 0.000 0.974 120 E CA 1.249 57.718 56.400 0.115 0.000 0.806 120 E CB -0.319 29.436 29.700 0.093 0.000 0.769 120 E HN 0.140 nan 8.360 nan 0.000 0.451 121 K N -0.117 120.280 120.400 -0.005 0.000 2.113 121 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 121 K C 1.866 178.433 176.600 -0.056 0.000 1.047 121 K CA 1.577 57.845 56.287 -0.032 0.000 0.928 121 K CB 0.076 32.556 32.500 -0.033 0.000 0.716 121 K HN 0.133 nan 8.250 nan 0.000 0.446 122 Q N 0.651 120.384 119.800 -0.111 0.000 2.403 122 Q HA 0.129 4.468 4.340 -0.000 0.000 0.203 122 Q C 0.183 176.184 176.000 0.003 0.000 0.932 122 Q CA 0.169 55.912 55.803 -0.100 0.000 0.945 122 Q CB 0.645 29.199 28.738 -0.306 0.000 1.045 122 Q HN 0.151 nan 8.270 nan 0.000 0.511 123 S N 0.565 116.216 115.700 -0.082 0.000 2.579 123 S HA 0.295 4.765 4.470 -0.000 0.000 0.275 123 S C 0.363 174.886 174.600 -0.129 0.000 1.345 123 S CA -0.099 57.925 58.200 -0.292 0.000 1.031 123 S CB 0.575 63.617 63.200 -0.263 0.000 0.892 123 S HN 0.162 nan 8.310 nan 0.000 0.529 124 I N 1.499 121.998 120.570 -0.118 0.000 2.410 124 I HA 0.477 4.647 4.170 -0.000 0.000 0.286 124 I C 0.859 176.967 176.117 -0.016 0.000 1.009 124 I CA -0.218 61.060 61.300 -0.037 0.000 1.111 124 I CB 1.419 39.422 38.000 0.004 0.000 1.262 124 I HN 0.897 nan 8.210 nan 0.000 0.443 125 G N 4.606 113.401 108.800 -0.009 0.000 2.141 125 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.231 125 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.231 125 G C 0.395 175.306 174.900 0.019 0.000 0.984 125 G CA 0.117 45.230 45.100 0.022 0.000 0.660 125 G HN 0.864 nan 8.290 nan 0.000 0.525 126 A N -0.093 122.692 122.820 -0.058 0.000 2.631 126 A HA 0.607 4.927 4.320 -0.000 0.000 0.294 126 A C 0.520 177.945 177.584 -0.266 0.000 1.156 126 A CA 0.005 51.927 52.037 -0.192 0.000 0.963 126 A CB 0.284 19.245 19.000 -0.066 0.000 1.202 126 A HN 0.266 nan 8.150 nan 0.000 0.523 127 E N -0.260 119.828 120.200 -0.187 0.000 2.360 127 E HA 0.424 4.774 4.350 -0.000 0.000 0.269 127 E C 1.156 177.636 176.600 -0.200 0.000 1.022 127 E CA 0.709 57.017 56.400 -0.153 0.000 0.887 127 E CB 0.763 30.408 29.700 -0.092 0.000 0.990 127 E HN 0.834 nan 8.360 nan 0.000 0.426 128 G N 3.074 111.773 108.800 -0.168 0.000 2.217 128 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 128 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 128 G C 0.084 174.846 174.900 -0.230 0.000 0.990 128 G CA -0.215 44.783 45.100 -0.168 0.000 0.627 128 G HN 0.353 nan 8.290 nan 0.000 0.522 129 R N 0.740 121.035 120.500 -0.342 0.000 2.254 129 R HA 0.327 4.667 4.340 -0.000 0.000 0.318 129 R C -0.110 176.098 176.300 -0.154 0.000 1.031 129 R CA -0.908 54.966 56.100 -0.377 0.000 0.905 129 R CB 0.099 29.941 30.300 -0.763 0.000 1.050 129 R HN 0.378 nan 8.270 nan 0.000 0.456 130 N N 2.962 121.624 118.700 -0.063 0.000 3.050 130 N HA -0.007 4.733 4.740 -0.000 0.000 0.289 130 N C 0.637 176.183 175.510 0.060 0.000 1.209 130 N CA -0.248 52.806 53.050 0.007 0.000 1.154 130 N CB 0.232 38.734 38.487 0.026 0.000 1.444 130 N HN 0.301 nan 8.380 nan 0.000 0.529 131 L N 0.754 122.019 121.223 0.070 0.000 2.083 131 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 131 L C 2.353 179.298 176.870 0.126 0.000 1.083 131 L CA 1.594 56.519 54.840 0.142 0.000 0.752 131 L CB -0.904 41.259 42.059 0.173 0.000 0.899 131 L HN 0.436 nan 8.230 nan 0.000 0.433 132 T N -1.553 113.052 114.554 0.085 0.000 2.720 132 T HA -0.270 4.079 4.350 -0.000 0.000 0.268 132 T C 1.873 176.569 174.700 -0.008 0.000 1.037 132 T CA 1.539 63.655 62.100 0.027 0.000 1.144 132 T CB -0.129 68.779 68.868 0.066 0.000 0.864 132 T HN 0.211 nan 8.240 nan 0.000 0.444 133 Q N 1.241 121.098 119.800 0.095 0.000 2.167 133 Q HA -0.036 4.304 4.340 -0.000 0.000 0.202 133 Q C 2.041 178.116 176.000 0.126 0.000 0.970 133 Q CA 1.193 57.086 55.803 0.149 0.000 0.855 133 Q CB -0.398 28.416 28.738 0.126 0.000 0.911 133 Q HN 0.388 nan 8.270 nan 0.000 0.438 134 N N 0.023 118.799 118.700 0.127 0.000 2.104 134 N HA -0.146 4.594 4.740 -0.000 0.000 0.190 134 N C 1.705 177.325 175.510 0.182 0.000 1.024 134 N CA 1.518 54.681 53.050 0.188 0.000 0.853 134 N CB -0.299 38.336 38.487 0.248 0.000 1.008 134 N HN 0.342 nan 8.380 nan 0.000 0.424 135 I N 0.887 121.455 120.570 -0.004 0.000 2.099 135 I HA -0.301 3.869 4.170 -0.000 0.000 0.239 135 I C 2.228 178.232 176.117 -0.189 0.000 1.066 135 I CA 1.257 62.351 61.300 -0.343 0.000 1.324 135 I CB -0.404 37.291 38.000 -0.508 0.000 1.037 135 I HN 0.229 nan 8.210 nan 0.000 0.401 136 H N 0.859 119.913 119.070 -0.027 0.000 2.352 136 H HA -0.155 4.400 4.556 -0.000 0.000 0.299 136 H C 2.044 177.353 175.328 -0.032 0.000 1.097 136 H CA 1.771 57.804 56.048 -0.025 0.000 1.311 136 H CB -0.840 28.921 29.762 -0.001 0.000 1.377 136 H HN 0.495 nan 8.280 nan 0.000 0.504 137 N N -0.234 118.547 118.700 0.134 0.000 2.104 137 N HA -0.160 4.579 4.740 -0.000 0.000 0.190 137 N C 1.765 177.298 175.510 0.038 0.000 1.024 137 N CA 0.914 54.013 53.050 0.082 0.000 0.853 137 N CB -0.188 38.366 38.487 0.111 0.000 1.008 137 N HN 0.108 nan 8.380 nan 0.000 0.424 138 F N 1.514 121.416 119.950 -0.079 0.000 2.163 138 F HA -0.021 4.506 4.527 -0.001 0.000 0.297 138 F C 1.824 177.448 175.800 -0.293 0.000 1.094 138 F CA 0.673 58.563 58.000 -0.183 0.000 1.290 138 F CB -0.221 38.715 39.000 -0.107 0.000 1.017 138 F HN -0.105 nan 8.300 nan 0.000 0.483 139 L N 1.039 122.099 121.223 -0.272 0.000 2.043 139 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 139 L C 2.499 179.146 176.870 -0.371 0.000 1.075 139 L CA 1.894 56.541 54.840 -0.322 0.000 0.752 139 L CB -1.342 40.655 42.059 -0.104 0.000 0.891 139 L HN 0.186 nan 8.230 nan 0.000 0.432 140 K N -0.786 119.454 120.400 -0.267 0.000 2.057 140 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 140 K C 2.194 178.581 176.600 -0.355 0.000 1.050 140 K CA 1.214 57.345 56.287 -0.259 0.000 0.935 140 K CB -0.169 32.241 32.500 -0.150 0.000 0.715 140 K HN 0.157 nan 8.250 nan 0.000 0.439 141 L N 1.467 122.450 121.223 -0.399 0.000 2.005 141 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 141 L C 2.212 178.736 176.870 -0.577 0.000 1.072 141 L CA 1.322 55.908 54.840 -0.423 0.000 0.744 141 L CB -0.693 41.134 42.059 -0.387 0.000 0.895 141 L HN 0.265 nan 8.230 nan 0.000 0.433 142 L N -0.113 120.565 121.223 -0.908 0.000 2.013 142 L HA -0.260 4.079 4.340 -0.000 0.000 0.212 142 L C 2.718 179.169 176.870 -0.699 0.000 1.073 142 L CA 2.256 56.595 54.840 -0.834 0.000 0.753 142 L CB -0.762 40.659 42.059 -1.064 0.000 0.890 142 L HN 0.391 nan 8.230 nan 0.000 0.432 143 R N -0.657 119.300 120.500 -0.905 0.000 2.057 143 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 143 R C 2.205 177.966 176.300 -0.898 0.000 1.136 143 R CA 1.770 57.036 56.100 -1.389 0.000 0.952 143 R CB -0.237 29.488 30.300 -0.959 0.000 0.848 143 R HN 0.547 nan 8.270 nan 0.000 0.430 144 E N -0.163 119.709 120.200 -0.547 0.000 2.152 144 E HA -0.101 4.248 4.350 -0.000 0.000 0.192 144 E C 1.565 178.012 176.600 -0.255 0.000 0.983 144 E CA 0.655 56.843 56.400 -0.354 0.000 0.818 144 E CB 0.260 29.803 29.700 -0.261 0.000 0.758 144 E HN 0.111 nan 8.360 nan 0.000 0.467 145 K N 0.598 120.850 120.400 -0.247 0.000 2.426 145 K HA -0.023 4.297 4.320 -0.000 0.000 0.193 145 K C 0.029 176.578 176.600 -0.086 0.000 1.028 145 K CA 0.232 56.434 56.287 -0.140 0.000 1.047 145 K CB 0.109 32.543 32.500 -0.110 0.000 0.821 145 K HN -0.027 nan 8.250 nan 0.000 0.513 146 D N 0.867 121.199 120.400 -0.113 0.000 2.699 146 D HA -0.173 4.467 4.640 -0.000 0.000 0.239 146 D C -0.702 175.756 176.300 0.263 0.000 1.136 146 D CA 0.370 54.459 54.000 0.149 0.000 0.668 146 D CB -1.293 39.590 40.800 0.139 0.000 1.060 146 D HN 0.143 nan 8.370 nan 0.000 0.429 147 L N 0.070 121.415 121.223 0.202 0.000 2.456 147 L HA 0.337 4.677 4.340 -0.000 0.000 0.257 147 L C 1.114 178.229 176.870 0.408 0.000 1.162 147 L CA -0.604 54.386 54.840 0.250 0.000 0.808 147 L CB 0.583 42.702 42.059 0.100 0.000 1.136 147 L HN 0.083 nan 8.230 nan 0.000 0.466 148 N N 0.445 119.404 118.700 0.432 0.000 2.446 148 N HA 0.235 4.974 4.740 -0.000 0.000 0.265 148 N C -1.398 174.368 175.510 0.427 0.000 0.975 148 N CA -0.372 52.945 53.050 0.445 0.000 0.928 148 N CB 1.448 40.203 38.487 0.446 0.000 1.160 148 N HN 0.553 nan 8.380 nan 0.000 0.495 149 C N 6.795 126.349 119.300 0.424 0.000 2.816 149 C HA 0.544 5.004 4.460 -0.000 0.000 0.255 149 C C -2.525 172.537 174.990 0.119 0.000 1.141 149 C CA -1.801 57.452 59.018 0.392 0.000 1.554 149 C CB -0.744 27.316 27.740 0.533 0.000 1.778 149 C HN 0.646 nan 8.230 nan 0.000 0.429 150 P HA 0.117 nan 4.420 nan 0.000 0.267 150 P C -0.496 176.763 177.300 -0.068 0.000 1.200 150 P CA 0.398 63.147 63.100 -0.585 0.000 0.772 150 P CB 0.471 32.090 31.700 -0.135 0.000 0.855 151 L N 3.197 124.370 121.223 -0.084 0.000 2.416 151 L HA 0.188 4.527 4.340 -0.000 0.000 0.272 151 L C 1.048 178.048 176.870 0.217 0.000 1.161 151 L CA 0.499 55.371 54.840 0.054 0.000 0.845 151 L CB -0.050 41.853 42.059 -0.259 0.000 1.119 151 L HN 0.344 nan 8.230 nan 0.000 0.464 152 N N 2.216 121.147 118.700 0.385 0.000 2.841 152 N HA 0.248 4.988 4.740 -0.000 0.000 0.257 152 N C -0.239 175.517 175.510 0.410 0.000 1.396 152 N CA -0.106 53.152 53.050 0.347 0.000 0.823 152 N CB 0.467 39.121 38.487 0.279 0.000 1.162 152 N HN 0.378 nan 8.380 nan 0.000 0.503 153 F N -0.247 119.786 119.950 0.138 0.000 2.680 153 F HA 0.303 4.829 4.527 -0.000 0.000 0.290 153 F C 0.944 176.817 175.800 0.121 0.000 1.114 153 F CA 0.026 58.109 58.000 0.139 0.000 1.333 153 F CB 0.332 39.532 39.000 0.334 0.000 1.091 153 F HN 0.013 nan 8.300 nan 0.000 0.606 154 V N 2.358 122.471 119.914 0.332 0.000 2.572 154 V HA 0.042 4.162 4.120 -0.000 0.000 0.291 154 V C -0.019 176.139 176.094 0.107 0.000 1.039 154 V CA -0.258 62.174 62.300 0.220 0.000 1.055 154 V CB 0.412 32.354 31.823 0.198 0.000 0.969 154 V HN 0.018 nan 8.190 nan 0.000 0.482 155 D N 4.848 125.296 120.400 0.080 0.000 2.326 155 D HA 0.429 5.069 4.640 -0.000 0.000 0.251 155 D C -2.393 173.920 176.300 0.022 0.000 1.023 155 D CA -1.396 52.623 54.000 0.030 0.000 0.966 155 D CB 1.457 42.261 40.800 0.007 0.000 1.156 155 D HN 0.310 nan 8.370 nan 0.000 0.494 156 P HA 0.036 nan 4.420 nan 0.000 0.267 156 P C -0.167 177.138 177.300 0.008 0.000 1.200 156 P CA 0.063 63.161 63.100 -0.003 0.000 0.772 156 P CB 0.519 32.212 31.700 -0.012 0.000 0.855 157 Q N 0.383 120.191 119.800 0.014 0.000 2.414 157 Q HA 0.048 4.387 4.340 -0.000 0.000 0.288 157 Q C 0.102 176.105 176.000 0.006 0.000 1.086 157 Q CA 0.689 56.505 55.803 0.022 0.000 0.943 157 Q CB 0.028 28.782 28.738 0.026 0.000 1.282 157 Q HN 0.417 nan 8.270 nan 0.000 0.438 158 T N 2.209 116.766 114.554 0.006 0.000 2.888 158 T HA -0.026 4.323 4.350 -0.000 0.000 0.301 158 T C -0.248 174.450 174.700 -0.003 0.000 1.001 158 T CA -0.283 61.815 62.100 -0.004 0.000 1.147 158 T CB 0.309 69.174 68.868 -0.006 0.000 0.931 158 T HN 0.389 nan 8.240 nan 0.000 0.541 159 D N 2.368 122.763 120.400 -0.008 0.000 2.339 159 D HA 0.070 4.710 4.640 -0.000 0.000 0.256 159 D C 0.792 177.088 176.300 -0.007 0.000 1.214 159 D CA -0.236 53.759 54.000 -0.008 0.000 0.877 159 D CB 0.585 41.378 40.800 -0.012 0.000 1.111 159 D HN 0.405 nan 8.370 nan 0.000 0.478 160 R N 1.882 122.379 120.500 -0.004 0.000 2.356 160 R HA 0.130 4.469 4.340 -0.000 0.000 0.234 160 R C 0.496 176.793 176.300 -0.004 0.000 0.929 160 R CA -0.314 55.784 56.100 -0.003 0.000 1.084 160 R CB 0.250 30.550 30.300 -0.001 0.000 1.105 160 R HN 0.259 nan 8.270 nan 0.000 0.515 161 S N 0.572 116.269 115.700 -0.006 0.000 2.558 161 S HA -0.089 4.380 4.470 -0.000 0.000 0.293 161 S C 1.279 175.876 174.600 -0.005 0.000 1.292 161 S CA -0.089 58.108 58.200 -0.006 0.000 1.063 161 S CB 1.454 64.650 63.200 -0.008 0.000 0.831 161 S HN 0.216 nan 8.310 nan 0.000 0.499 162 S N 1.615 117.312 115.700 -0.005 0.000 2.420 162 S HA -0.184 4.285 4.470 -0.000 0.000 0.237 162 S C 1.110 175.708 174.600 -0.004 0.000 1.023 162 S CA 1.751 59.949 58.200 -0.004 0.000 0.991 162 S CB -0.382 62.816 63.200 -0.003 0.000 0.792 162 S HN 0.860 nan 8.310 nan 0.000 0.488 163 D N -0.145 120.252 120.400 -0.005 0.000 2.402 163 D HA 0.450 5.090 4.640 -0.000 0.000 0.216 163 D C 1.420 177.717 176.300 -0.006 0.000 1.128 163 D CA 0.527 54.523 54.000 -0.005 0.000 0.833 163 D CB -0.094 40.703 40.800 -0.005 0.000 0.971 163 D HN 0.289 nan 8.370 nan 0.000 0.503 164 A N 1.291 124.107 122.820 -0.007 0.000 1.917 164 A HA -0.053 4.266 4.320 -0.000 0.000 0.219 164 A C 2.330 179.909 177.584 -0.009 0.000 1.182 164 A CA 1.749 53.781 52.037 -0.009 0.000 0.633 164 A CB -0.953 18.041 19.000 -0.009 0.000 0.819 164 A HN 0.410 nan 8.150 nan 0.000 0.448 165 A N -1.235 121.581 122.820 -0.007 0.000 2.239 165 A HA -0.003 4.317 4.320 -0.000 0.000 0.209 165 A C 1.669 179.249 177.584 -0.005 0.000 1.171 165 A CA 1.037 53.070 52.037 -0.006 0.000 0.768 165 A CB -0.318 18.680 19.000 -0.005 0.000 0.790 165 A HN 0.684 nan 8.150 nan 0.000 0.478 166 Q N -1.066 118.731 119.800 -0.005 0.000 2.179 166 Q HA 0.499 4.839 4.340 -0.000 0.000 0.213 166 Q C 0.110 176.107 176.000 -0.006 0.000 0.833 166 Q CA 0.330 56.131 55.803 -0.005 0.000 0.990 166 Q CB 0.628 29.364 28.738 -0.004 0.000 1.132 166 Q HN 0.578 nan 8.270 nan 0.000 0.493 167 A N 0.581 123.396 122.820 -0.008 0.000 2.564 167 A HA 0.614 4.934 4.320 -0.000 0.000 0.288 167 A C -0.953 176.625 177.584 -0.011 0.000 1.164 167 A CA -0.810 51.222 52.037 -0.009 0.000 0.712 167 A CB 1.206 20.201 19.000 -0.010 0.000 1.303 167 A HN 0.091 nan 8.150 nan 0.000 0.418 168 R N 0.692 121.185 120.500 -0.012 0.000 2.590 168 R HA 0.366 4.706 4.340 -0.000 0.000 0.274 168 R C 0.468 176.759 176.300 -0.016 0.000 1.061 168 R CA 0.518 56.610 56.100 -0.014 0.000 1.081 168 R CB 0.671 30.963 30.300 -0.014 0.000 0.984 168 R HN 0.882 nan 8.270 nan 0.000 0.448 169 S N 2.171 117.860 115.700 -0.019 0.000 2.669 169 S HA 0.304 4.774 4.470 -0.000 0.000 0.270 169 S C -1.834 172.753 174.600 -0.021 0.000 1.225 169 S CA -1.237 56.951 58.200 -0.021 0.000 0.991 169 S CB 1.323 64.509 63.200 -0.023 0.000 0.987 169 S HN 0.388 nan 8.310 nan 0.000 0.552 170 P HA 0.175 nan 4.420 nan 0.000 0.245 170 P C -0.513 176.777 177.300 -0.016 0.000 1.206 170 P CA 0.004 63.093 63.100 -0.019 0.000 0.781 170 P CB -0.308 31.378 31.700 -0.023 0.000 0.994 171 N N 0.365 119.049 118.700 -0.026 0.000 2.329 171 N HA 0.027 4.767 4.740 -0.000 0.000 0.237 171 N C -0.076 175.400 175.510 -0.056 0.000 1.258 171 N CA -0.058 52.968 53.050 -0.039 0.000 0.866 171 N CB -0.117 38.342 38.487 -0.048 0.000 1.102 171 N HN -0.052 nan 8.380 nan 0.000 0.440 172 L N 1.910 123.076 121.223 -0.094 0.000 2.410 172 L HA 0.236 4.576 4.340 -0.000 0.000 0.273 172 L C 0.300 177.075 176.870 -0.159 0.000 1.152 172 L CA 0.349 55.088 54.840 -0.168 0.000 0.855 172 L CB -0.119 41.747 42.059 -0.322 0.000 1.129 172 L HN 0.595 nan 8.230 nan 0.000 0.463 173 R N 5.191 125.606 120.500 -0.141 0.000 2.707 173 R HA 0.423 4.762 4.340 -0.000 0.000 0.272 173 R C -1.306 174.927 176.300 -0.111 0.000 1.011 173 R CA -0.818 55.215 56.100 -0.112 0.000 0.893 173 R CB 0.426 30.685 30.300 -0.068 0.000 1.233 173 R HN 0.583 nan 8.270 nan 0.000 0.464 174 I N 2.665 123.177 120.570 -0.096 0.000 2.587 174 I HA -0.010 4.160 4.170 -0.000 0.000 0.284 174 I C 1.115 177.201 176.117 -0.052 0.000 1.134 174 I CA -0.043 61.205 61.300 -0.086 0.000 1.410 174 I CB 1.299 39.258 38.000 -0.068 0.000 1.392 174 I HN 0.388 nan 8.210 nan 0.000 0.545 175 V N 5.471 125.356 119.914 -0.048 0.000 3.565 175 V HA 0.149 4.269 4.120 -0.000 0.000 0.260 175 V C 0.399 176.486 176.094 -0.013 0.000 1.231 175 V CA 0.694 62.979 62.300 -0.024 0.000 1.100 175 V CB 0.126 31.938 31.823 -0.019 0.000 0.807 175 V HN 0.854 nan 8.190 nan 0.000 0.454 176 E N -0.148 120.041 120.200 -0.019 0.000 2.378 176 E HA 0.399 4.749 4.350 -0.000 0.000 0.283 176 E C -1.372 175.222 176.600 -0.011 0.000 0.979 176 E CA -0.645 55.754 56.400 -0.001 0.000 0.795 176 E CB 1.660 31.366 29.700 0.009 0.000 1.221 176 E HN 0.115 nan 8.360 nan 0.000 0.428 177 K N 1.707 122.125 120.400 0.030 0.000 2.292 177 K HA 0.554 4.873 4.320 -0.000 0.000 0.257 177 K C -0.807 175.869 176.600 0.126 0.000 0.940 177 K CA -0.492 55.835 56.287 0.067 0.000 0.811 177 K CB 2.041 34.644 32.500 0.172 0.000 1.120 177 K HN 0.613 nan 8.250 nan 0.000 0.428 178 T N -2.219 112.429 114.554 0.156 0.000 2.831 178 T HA 0.267 4.616 4.350 -0.000 0.000 0.287 178 T C 0.200 175.118 174.700 0.364 0.000 1.070 178 T CA -0.744 61.470 62.100 0.190 0.000 1.010 178 T CB 1.067 70.004 68.868 0.114 0.000 1.264 178 T HN 0.311 nan 8.240 nan 0.000 0.532 179 D N 0.204 120.770 120.400 0.277 0.000 2.264 179 D HA 0.023 4.663 4.640 -0.000 0.000 0.208 179 D C 0.932 177.485 176.300 0.422 0.000 0.966 179 D CA 0.945 55.132 54.000 0.312 0.000 0.864 179 D CB -0.040 40.859 40.800 0.164 0.000 0.933 179 D HN 0.528 nan 8.370 nan 0.000 0.499 180 D N -0.821 119.785 120.400 0.342 0.000 2.355 180 D HA 0.242 4.881 4.640 -0.000 0.000 0.206 180 D C 1.310 177.756 176.300 0.242 0.000 1.010 180 D CA 0.687 54.902 54.000 0.359 0.000 0.875 180 D CB 1.105 42.049 40.800 0.240 0.000 0.966 180 D HN 0.249 nan 8.370 nan 0.000 0.512 181 G N 0.151 108.819 108.800 -0.220 0.000 2.452 181 G HA2 0.290 4.250 3.960 -0.000 0.000 0.224 181 G HA3 0.290 4.250 3.960 -0.000 0.000 0.224 181 G C -1.586 172.720 174.900 -0.991 0.000 1.208 181 G CA -0.336 44.041 45.100 -1.205 0.000 0.946 181 G HN 0.122 nan 8.290 nan 0.000 0.481 182 I N -1.507 118.554 120.570 -0.849 0.000 2.689 182 I HA 0.840 5.010 4.170 -0.000 0.000 0.299 182 I C -1.230 174.731 176.117 -0.258 0.000 1.059 182 I CA -1.245 59.753 61.300 -0.503 0.000 1.055 182 I CB 2.070 39.747 38.000 -0.538 0.000 1.243 182 I HN 0.296 nan 8.210 nan 0.000 0.425 183 I N 5.396 125.902 120.570 -0.107 0.000 2.392 183 I HA 0.505 4.675 4.170 -0.000 0.000 0.295 183 I C -0.190 175.882 176.117 -0.076 0.000 0.985 183 I CA -0.585 60.695 61.300 -0.033 0.000 1.221 183 I CB 1.755 39.772 38.000 0.029 0.000 1.366 183 I HN 0.369 nan 8.210 nan 0.000 0.467 184 V N 5.788 125.662 119.914 -0.066 0.000 2.638 184 V HA 0.548 4.667 4.120 -0.000 0.000 0.306 184 V C -0.944 175.129 176.094 -0.035 0.000 1.052 184 V CA -0.577 61.657 62.300 -0.109 0.000 0.885 184 V CB 2.236 33.925 31.823 -0.223 0.000 0.999 184 V HN 0.813 nan 8.190 nan 0.000 0.424 185 N N 2.798 121.471 118.700 -0.046 0.000 2.310 185 N HA 0.828 5.567 4.740 -0.000 0.000 0.292 185 N C -0.306 175.206 175.510 0.003 0.000 1.049 185 N CA 0.714 53.775 53.050 0.019 0.000 0.849 185 N CB 2.215 40.710 38.487 0.013 0.000 1.532 185 N HN 1.104 nan 8.380 nan 0.000 0.479 186 G N 0.136 108.981 108.800 0.074 0.000 2.302 186 G HA2 0.153 4.113 3.960 -0.000 0.000 0.276 186 G HA3 0.153 4.113 3.960 -0.000 0.000 0.276 186 G C -2.023 172.973 174.900 0.161 0.000 1.316 186 G CA -0.416 44.718 45.100 0.057 0.000 0.988 186 G HN 0.569 nan 8.290 nan 0.000 0.479 187 V N 1.149 121.125 119.914 0.104 0.000 2.656 187 V HA 0.688 4.807 4.120 -0.000 0.000 0.307 187 V C -0.792 175.375 176.094 0.122 0.000 1.051 187 V CA -1.113 61.278 62.300 0.151 0.000 0.893 187 V CB 1.945 33.805 31.823 0.061 0.000 0.999 187 V HN 0.675 nan 8.190 nan 0.000 0.426 188 K N 2.982 123.508 120.400 0.210 0.000 2.206 188 K HA 0.838 5.158 4.320 -0.000 0.000 0.264 188 K C -0.082 176.576 176.600 0.098 0.000 0.967 188 K CA -0.234 56.138 56.287 0.142 0.000 0.844 188 K CB 2.152 34.779 32.500 0.211 0.000 1.099 188 K HN 0.815 nan 8.250 nan 0.000 0.441 189 A N 0.936 123.782 122.820 0.043 0.000 2.269 189 A HA 0.500 4.819 4.320 -0.000 0.000 0.327 189 A C -0.020 177.523 177.584 -0.068 0.000 1.112 189 A CA -0.664 51.360 52.037 -0.023 0.000 0.865 189 A CB 0.476 19.436 19.000 -0.066 0.000 1.227 189 A HN 0.520 nan 8.150 nan 0.000 0.498 190 V N -0.480 119.342 119.914 -0.153 0.000 5.562 190 V HA -0.218 3.902 4.120 -0.000 0.000 0.232 190 V C 0.924 176.994 176.094 -0.040 0.000 0.694 190 V CA 0.694 62.858 62.300 -0.226 0.000 0.574 190 V CB -2.430 28.921 31.823 -0.786 0.000 0.230 190 V HN 1.385 nan 8.190 nan 0.000 0.568 191 G N 0.764 109.597 108.800 0.054 0.000 2.372 191 G HA2 0.550 4.510 3.960 -0.000 0.000 0.283 191 G HA3 0.550 4.510 3.960 -0.000 0.000 0.283 191 G C -0.074 174.912 174.900 0.143 0.000 1.177 191 G CA -0.102 45.077 45.100 0.131 0.000 0.842 191 G HN 0.461 nan 8.290 nan 0.000 0.503 192 T N 0.724 115.392 114.554 0.189 0.000 2.771 192 T HA 0.507 4.857 4.350 -0.000 0.000 0.281 192 T C 1.159 175.971 174.700 0.186 0.000 0.982 192 T CA 0.807 63.015 62.100 0.180 0.000 0.978 192 T CB 1.340 70.361 68.868 0.254 0.000 0.930 192 T HN 1.609 nan 8.240 nan 0.000 0.447 193 G N 2.977 111.891 108.800 0.190 0.000 2.153 193 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.252 193 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.252 193 G C 1.016 176.133 174.900 0.362 0.000 0.994 193 G CA -0.016 45.291 45.100 0.344 0.000 0.698 193 G HN 0.659 nan 8.290 nan 0.000 0.521 194 I N 0.791 121.499 120.570 0.230 0.000 2.208 194 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 194 I C 3.092 179.275 176.117 0.110 0.000 1.097 194 I CA 2.027 63.421 61.300 0.157 0.000 1.363 194 I CB -1.589 36.472 38.000 0.101 0.000 1.051 194 I HN 0.453 nan 8.210 nan 0.000 0.413 195 A N -0.345 122.490 122.820 0.026 0.000 2.121 195 A HA -0.111 4.208 4.320 -0.000 0.000 0.218 195 A C 1.732 179.121 177.584 -0.326 0.000 1.154 195 A CA 1.061 52.955 52.037 -0.237 0.000 0.679 195 A CB -0.817 17.907 19.000 -0.460 0.000 0.795 195 A HN 0.397 nan 8.150 nan 0.000 0.458 196 F N -0.678 119.381 119.950 0.183 0.000 2.653 196 F HA 0.339 4.866 4.527 -0.000 0.000 0.304 196 F C 1.414 177.412 175.800 0.329 0.000 1.092 196 F CA -0.179 57.986 58.000 0.274 0.000 1.279 196 F CB 0.179 39.410 39.000 0.385 0.000 1.044 196 F HN 0.180 nan 8.300 nan 0.000 0.564 197 G N -0.255 108.764 108.800 0.366 0.000 2.477 197 G HA2 0.160 4.120 3.960 -0.000 0.000 0.304 197 G HA3 0.160 4.120 3.960 -0.000 0.000 0.304 197 G C 0.252 175.331 174.900 0.299 0.000 1.175 197 G CA -0.351 44.964 45.100 0.359 0.000 0.907 197 G HN 0.061 nan 8.290 nan 0.000 0.509 198 D N -1.016 119.600 120.400 0.360 0.000 2.162 198 D HA 0.020 4.660 4.640 -0.000 0.000 0.205 198 D C -0.213 176.274 176.300 0.311 0.000 0.964 198 D CA 1.388 55.581 54.000 0.323 0.000 0.847 198 D CB 0.304 41.347 40.800 0.406 0.000 0.988 198 D HN 0.274 nan 8.370 nan 0.000 0.480 199 Y N -0.332 120.099 120.300 0.218 0.000 2.633 199 Y HA 0.376 4.925 4.550 -0.001 0.000 0.339 199 Y C 0.105 176.128 175.900 0.206 0.000 1.045 199 Y CA -1.148 57.075 58.100 0.205 0.000 1.098 199 Y CB 1.479 40.115 38.460 0.294 0.000 1.296 199 Y HN -0.252 nan 8.280 nan 0.000 0.494 200 M N 0.916 120.714 119.600 0.329 0.000 2.456 200 M HA 0.479 4.958 4.480 -0.000 0.000 0.324 200 M C -1.358 175.185 176.300 0.405 0.000 1.124 200 M CA -0.864 54.625 55.300 0.316 0.000 0.959 200 M CB 1.874 34.612 32.600 0.231 0.000 1.692 200 M HN 0.594 nan 8.290 nan 0.000 0.444 201 H N 4.307 123.582 119.070 0.342 0.000 2.908 201 H HA 0.503 5.059 4.556 -0.000 0.000 0.269 201 H C -1.236 174.319 175.328 0.379 0.000 1.303 201 H CA -0.814 55.488 56.048 0.422 0.000 1.341 201 H CB -0.103 29.911 29.762 0.419 0.000 1.519 201 H HN 0.761 nan 8.280 nan 0.000 0.505 202 I N 4.325 125.128 120.570 0.388 0.000 2.441 202 I HA 0.382 4.552 4.170 -0.000 0.000 0.287 202 I C 1.100 177.008 176.117 -0.348 0.000 1.049 202 I CA 0.329 61.637 61.300 0.013 0.000 1.381 202 I CB 1.228 39.167 38.000 -0.102 0.000 1.409 202 I HN 0.663 nan 8.210 nan 0.000 0.523 203 G N 4.641 112.818 108.800 -1.038 0.000 2.548 203 G HA2 0.594 4.554 3.960 -0.000 0.000 0.301 203 G HA3 0.594 4.554 3.960 -0.000 0.000 0.301 203 G C -1.655 172.321 174.900 -1.541 0.000 1.349 203 G CA -0.488 43.449 45.100 -1.937 0.000 0.792 203 G HN 0.858 nan 8.290 nan 0.000 0.481 204 C N -0.991 117.589 119.300 -1.201 0.000 3.173 204 C HA 0.885 5.345 4.460 -0.000 0.000 0.310 204 C C -0.671 174.380 174.990 0.103 0.000 1.306 204 C CA -1.089 57.705 59.018 -0.372 0.000 1.426 204 C CB 0.541 28.096 27.740 -0.308 0.000 1.800 204 C HN 0.838 nan 8.230 nan 0.000 0.470 205 L N 1.922 123.247 121.223 0.169 0.000 2.331 205 L HA 0.453 4.793 4.340 -0.000 0.000 0.275 205 L C -0.175 176.796 176.870 0.169 0.000 1.022 205 L CA -0.651 54.318 54.840 0.216 0.000 0.812 205 L CB 1.142 43.273 42.059 0.121 0.000 1.257 205 L HN 0.849 nan 8.230 nan 0.000 0.435 206 Y N 3.707 124.064 120.300 0.095 0.000 2.578 206 Y HA 0.209 4.759 4.550 -0.000 0.000 0.339 206 Y C 0.258 176.179 175.900 0.036 0.000 1.231 206 Y CA 0.010 58.150 58.100 0.066 0.000 1.461 206 Y CB 0.490 38.982 38.460 0.054 0.000 1.323 206 Y HN 0.614 nan 8.280 nan 0.000 0.590 207 R N 5.608 125.567 120.500 -0.901 0.000 2.668 207 R HA 0.533 4.873 4.340 -0.000 0.000 0.272 207 R C -3.383 172.312 176.300 -1.008 0.000 1.019 207 R CA -2.235 53.467 56.100 -0.664 0.000 0.894 207 R CB 1.677 31.806 30.300 -0.285 0.000 1.228 207 R HN 0.353 nan 8.270 nan 0.000 0.460 208 P HA 0.062 nan 4.420 nan 0.000 0.262 208 P C 0.393 177.581 177.300 -0.188 0.000 1.182 208 P CA 1.720 64.683 63.100 -0.228 0.000 0.761 208 P CB 0.757 32.435 31.700 -0.036 0.000 0.795 209 G N 3.278 112.017 108.800 -0.101 0.000 2.162 209 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 209 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 209 G C 0.284 175.142 174.900 -0.070 0.000 0.976 209 G CA -0.305 44.766 45.100 -0.049 0.000 0.655 209 G HN 0.626 nan 8.290 nan 0.000 0.533 210 I N 2.467 122.949 120.570 -0.147 0.000 2.662 210 I HA 0.283 4.452 4.170 -0.000 0.000 0.285 210 I C -1.361 174.753 176.117 -0.005 0.000 1.161 210 I CA -1.700 59.541 61.300 -0.099 0.000 1.415 210 I CB 0.870 38.777 38.000 -0.155 0.000 1.385 210 I HN -0.031 nan 8.210 nan 0.000 0.552 211 P HA 0.195 nan 4.420 nan 0.000 0.277 211 P C 0.602 177.929 177.300 0.046 0.000 1.240 211 P CA -0.391 62.724 63.100 0.025 0.000 0.798 211 P CB 0.946 32.650 31.700 0.007 0.000 0.979 212 G N 1.940 110.777 108.800 0.062 0.000 2.469 212 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 212 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 212 G C 1.058 175.994 174.900 0.060 0.000 1.136 212 G CA 0.515 45.664 45.100 0.081 0.000 0.759 212 G HN 0.681 nan 8.290 nan 0.000 0.562 213 E N 0.612 120.829 120.200 0.028 0.000 2.478 213 E HA -0.076 4.274 4.350 -0.000 0.000 0.198 213 E C 1.791 178.377 176.600 -0.024 0.000 1.046 213 E CA 0.622 57.025 56.400 0.004 0.000 0.870 213 E CB -0.297 29.401 29.700 -0.004 0.000 0.818 213 E HN 0.570 nan 8.360 nan 0.000 0.527 214 Q N 0.436 120.224 119.800 -0.020 0.000 2.392 214 Q HA 0.150 4.490 4.340 -0.000 0.000 0.203 214 Q C -0.021 175.940 176.000 -0.066 0.000 0.917 214 Q CA 0.003 55.770 55.803 -0.059 0.000 0.939 214 Q CB 1.109 29.813 28.738 -0.055 0.000 1.063 214 Q HN 0.046 nan 8.270 nan 0.000 0.516 215 V N 2.555 122.478 119.914 0.016 0.000 2.322 215 V HA 0.245 4.365 4.120 -0.000 0.000 0.258 215 V C -0.256 175.894 176.094 0.093 0.000 1.074 215 V CA 0.261 62.615 62.300 0.090 0.000 0.909 215 V CB 0.015 32.014 31.823 0.294 0.000 1.090 215 V HN 0.158 nan 8.190 nan 0.000 0.486 216 I N 5.180 125.649 120.570 -0.169 0.000 2.499 216 I HA 0.522 4.692 4.170 -0.000 0.000 0.288 216 I C -1.085 174.786 176.117 -0.410 0.000 1.048 216 I CA -0.320 60.888 61.300 -0.153 0.000 1.062 216 I CB 2.140 39.997 38.000 -0.239 0.000 1.238 216 I HN 0.310 nan 8.210 nan 0.000 0.426 217 F N 4.961 124.991 119.950 0.133 0.000 2.507 217 F HA 0.843 5.369 4.527 -0.000 0.000 0.328 217 F C 0.267 176.025 175.800 -0.070 0.000 1.136 217 F CA -0.428 57.669 58.000 0.161 0.000 0.930 217 F CB 2.016 41.291 39.000 0.459 0.000 1.166 217 F HN 0.514 nan 8.300 nan 0.000 0.436 218 A N 1.880 124.639 122.820 -0.101 0.000 2.586 218 A HA 0.932 5.251 4.320 -0.000 0.000 0.290 218 A C -1.938 175.405 177.584 -0.401 0.000 1.086 218 A CA -0.633 51.010 52.037 -0.658 0.000 0.665 218 A CB 1.190 19.928 19.000 -0.436 0.000 1.279 218 A HN 1.108 nan 8.150 nan 0.000 0.423 219 A N 0.774 123.223 122.820 -0.619 0.000 2.357 219 A HA 0.725 5.045 4.320 -0.000 0.000 0.295 219 A C -0.499 177.049 177.584 -0.060 0.000 1.121 219 A CA -0.157 51.717 52.037 -0.272 0.000 0.742 219 A CB 0.139 18.633 19.000 -0.842 0.000 1.181 219 A HN 1.990 nan 8.150 nan 0.000 0.454 220 I N -0.277 120.348 120.570 0.092 0.000 2.785 220 I HA 0.738 4.907 4.170 -0.000 0.000 0.302 220 I C -2.989 172.927 176.117 -0.335 0.000 1.069 220 I CA -3.153 58.111 61.300 -0.060 0.000 1.045 220 I CB 2.494 40.447 38.000 -0.079 0.000 1.236 220 I HN 0.209 nan 8.210 nan 0.000 0.429 221 P HA 0.087 nan 4.420 nan 0.000 0.265 221 P C 0.483 177.605 177.300 -0.298 0.000 1.193 221 P CA 0.122 62.766 63.100 -0.761 0.000 0.765 221 P CB 0.645 32.014 31.700 -0.550 0.000 0.823 222 T N 1.426 115.871 114.554 -0.183 0.000 2.778 222 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 222 T C 1.076 175.704 174.700 -0.121 0.000 1.050 222 T CA 1.885 63.929 62.100 -0.094 0.000 1.137 222 T CB -0.948 67.899 68.868 -0.035 0.000 0.860 222 T HN 0.661 nan 8.240 nan 0.000 0.468 223 N N 0.822 119.446 118.700 -0.127 0.000 2.322 223 N HA 0.035 4.774 4.740 -0.000 0.000 0.216 223 N C -0.501 174.948 175.510 -0.101 0.000 1.144 223 N CA -0.285 52.700 53.050 -0.110 0.000 0.830 223 N CB 0.085 38.516 38.487 -0.092 0.000 1.034 223 N HN 0.006 nan 8.380 nan 0.000 0.484 224 T N 2.865 117.352 114.554 -0.111 0.000 2.902 224 T HA 0.103 4.452 4.350 -0.000 0.000 0.301 224 T C -2.320 172.346 174.700 -0.057 0.000 1.012 224 T CA -0.608 61.446 62.100 -0.076 0.000 1.151 224 T CB 0.890 69.716 68.868 -0.070 0.000 0.946 224 T HN 0.192 nan 8.240 nan 0.000 0.542 225 P HA 0.199 nan 4.420 nan 0.000 0.262 225 P C 1.021 178.317 177.300 -0.007 0.000 1.182 225 P CA 0.807 63.898 63.100 -0.015 0.000 0.761 225 P CB 0.255 31.960 31.700 0.009 0.000 0.795 226 G N 1.350 110.134 108.800 -0.026 0.000 2.213 226 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.226 226 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.226 226 G C -0.044 174.802 174.900 -0.091 0.000 0.992 226 G CA -0.275 44.813 45.100 -0.020 0.000 0.632 226 G HN 0.522 nan 8.290 nan 0.000 0.511 227 V N 2.240 122.058 119.914 -0.160 0.000 2.406 227 V HA 0.611 4.730 4.120 -0.000 0.000 0.272 227 V C 0.322 176.256 176.094 -0.266 0.000 1.043 227 V CA 0.365 62.468 62.300 -0.328 0.000 0.915 227 V CB 1.406 33.015 31.823 -0.356 0.000 0.988 227 V HN 0.285 nan 8.190 nan 0.000 0.466 228 T N 4.673 119.046 114.554 -0.302 0.000 2.809 228 T HA 0.426 4.776 4.350 -0.000 0.000 0.284 228 T C -0.300 174.167 174.700 -0.388 0.000 0.992 228 T CA -0.382 61.516 62.100 -0.337 0.000 0.957 228 T CB 1.515 70.144 68.868 -0.398 0.000 0.942 228 T HN 0.310 nan 8.240 nan 0.000 0.439 229 V N 4.574 124.284 119.914 -0.339 0.000 2.334 229 V HA 0.352 4.472 4.120 -0.000 0.000 0.267 229 V C -0.526 175.415 176.094 -0.255 0.000 1.040 229 V CA -0.655 61.510 62.300 -0.224 0.000 0.866 229 V CB -0.435 31.299 31.823 -0.147 0.000 1.019 229 V HN 0.771 nan 8.190 nan 0.000 0.468 230 F N 3.691 123.598 119.950 -0.073 0.000 2.368 230 F HA 0.372 4.899 4.527 -0.000 0.000 0.362 230 F C 0.864 176.657 175.800 -0.013 0.000 1.137 230 F CA -0.265 57.694 58.000 -0.068 0.000 1.161 230 F CB 0.442 39.325 39.000 -0.196 0.000 1.265 230 F HN 0.404 nan 8.300 nan 0.000 0.530 231 C N 3.376 122.776 119.300 0.166 0.000 2.459 231 C HA 0.525 4.985 4.460 -0.000 0.000 0.374 231 C C 0.765 175.831 174.990 0.127 0.000 1.241 231 C CA -1.208 57.880 59.018 0.118 0.000 2.352 231 C CB 0.603 28.391 27.740 0.080 0.000 2.490 231 C HN 0.816 nan 8.230 nan 0.000 0.583 232 R N 1.895 122.450 120.500 0.091 0.000 2.774 232 R HA 0.294 4.634 4.340 -0.000 0.000 0.269 232 R C 0.252 176.603 176.300 0.085 0.000 1.068 232 R CA -0.263 55.884 56.100 0.079 0.000 1.180 232 R CB 0.322 30.657 30.300 0.059 0.000 1.077 232 R HN 0.844 nan 8.270 nan 0.000 0.513 233 E N 1.006 121.255 120.200 0.081 0.000 2.415 233 E HA 0.007 4.356 4.350 -0.000 0.000 0.262 233 E C -0.737 175.910 176.600 0.080 0.000 1.038 233 E CA -0.426 56.023 56.400 0.082 0.000 0.921 233 E CB 0.913 30.658 29.700 0.076 0.000 0.950 233 E HN 0.457 nan 8.360 nan 0.000 0.438 234 S N 1.199 116.951 115.700 0.087 0.000 2.523 234 S HA 0.073 4.543 4.470 -0.000 0.000 0.275 234 S C 0.700 175.358 174.600 0.096 0.000 1.281 234 S CA -0.088 58.172 58.200 0.100 0.000 1.050 234 S CB 0.615 63.886 63.200 0.118 0.000 0.937 234 S HN 0.637 nan 8.310 nan 0.000 0.492 235 T N 1.925 116.549 114.554 0.117 0.000 3.145 235 T HA 0.200 4.550 4.350 -0.000 0.000 0.255 235 T C 0.478 175.245 174.700 0.112 0.000 1.039 235 T CA -0.337 61.834 62.100 0.119 0.000 0.928 235 T CB -0.123 68.838 68.868 0.155 0.000 1.029 235 T HN 0.401 nan 8.240 nan 0.000 0.554 236 V N 1.861 121.835 119.914 0.100 0.000 2.673 236 V HA 0.329 4.449 4.120 -0.000 0.000 0.303 236 V C 0.081 176.144 176.094 -0.051 0.000 1.046 236 V CA -0.114 62.202 62.300 0.026 0.000 1.126 236 V CB 0.388 32.251 31.823 0.067 0.000 0.934 236 V HN 0.385 nan 8.190 nan 0.000 0.487 237 K N 4.707 125.016 120.400 -0.152 0.000 2.098 237 K HA 0.444 4.764 4.320 -0.000 0.000 0.261 237 K C 0.932 177.481 176.600 -0.085 0.000 0.987 237 K CA -0.262 55.921 56.287 -0.172 0.000 0.916 237 K CB 0.777 33.066 32.500 -0.353 0.000 1.039 237 K HN 0.761 nan 8.250 nan 0.000 0.455 238 N N 0.486 119.160 118.700 -0.043 0.000 2.356 238 N HA -0.061 4.679 4.740 -0.000 0.000 0.178 238 N C -0.643 174.867 175.510 0.001 0.000 1.075 238 N CA 0.247 53.290 53.050 -0.013 0.000 0.889 238 N CB 0.427 38.912 38.487 -0.003 0.000 0.999 238 N HN 0.459 nan 8.380 nan 0.000 0.464 239 D N 1.651 122.068 120.400 0.028 0.000 2.472 239 D HA 0.237 4.877 4.640 -0.000 0.000 0.234 239 D C -1.882 174.436 176.300 0.030 0.000 1.088 239 D CA -2.035 51.987 54.000 0.037 0.000 0.882 239 D CB 1.972 42.809 40.800 0.063 0.000 1.037 239 D HN -0.079 nan 8.370 nan 0.000 0.520 240 P HA -0.043 nan 4.420 nan 0.000 0.220 240 P C 1.052 178.317 177.300 -0.058 0.000 1.148 240 P CA 0.684 63.763 63.100 -0.035 0.000 0.803 240 P CB 0.352 32.030 31.700 -0.036 0.000 0.782 241 A N 0.222 123.006 122.820 -0.060 0.000 1.898 241 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 241 A C 2.073 179.574 177.584 -0.138 0.000 1.181 241 A CA 1.463 53.446 52.037 -0.090 0.000 0.620 241 A CB -0.794 18.161 19.000 -0.075 0.000 0.819 241 A HN 0.072 nan 8.150 nan 0.000 0.442 242 E N -0.691 119.419 120.200 -0.151 0.000 2.340 242 E HA 0.035 4.385 4.350 -0.000 0.000 0.194 242 E C -0.327 175.956 176.600 -0.528 0.000 0.996 242 E CA 0.554 56.769 56.400 -0.309 0.000 0.869 242 E CB -0.058 29.469 29.700 -0.289 0.000 0.835 242 E HN 0.812 nan 8.360 nan 0.000 0.493 243 H N -0.062 118.940 119.070 -0.114 0.000 2.716 243 H HA 0.183 4.739 4.556 -0.000 0.000 0.260 243 H C -1.940 173.274 175.328 -0.190 0.000 1.280 243 H CA -1.528 54.428 56.048 -0.154 0.000 1.506 243 H CB 1.491 31.153 29.762 -0.167 0.000 1.514 243 H HN -0.075 nan 8.280 nan 0.000 0.502 244 P HA -0.113 nan 4.420 nan 0.000 0.221 244 P C 0.834 178.034 177.300 -0.167 0.000 1.150 244 P CA 1.012 64.041 63.100 -0.118 0.000 0.800 244 P CB 0.756 32.391 31.700 -0.108 0.000 0.787 245 L N -1.575 119.491 121.223 -0.262 0.000 2.349 245 L HA 0.235 4.575 4.340 -0.000 0.000 0.200 245 L C 2.329 178.608 176.870 -0.986 0.000 1.064 245 L CA 0.837 55.403 54.840 -0.457 0.000 0.821 245 L CB -0.998 40.854 42.059 -0.345 0.000 1.027 245 L HN -0.180 nan 8.230 nan 0.000 0.476 246 A N 0.121 122.257 122.820 -1.139 0.000 2.172 246 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 246 A C 2.212 179.322 177.584 -0.791 0.000 1.154 246 A CA 1.505 52.630 52.037 -1.521 0.000 0.701 246 A CB -0.480 18.030 19.000 -0.816 0.000 0.789 246 A HN 0.493 nan 8.150 nan 0.000 0.465 247 S N -1.439 113.996 115.700 -0.441 0.000 2.575 247 S HA 0.054 4.524 4.470 -0.000 0.000 0.215 247 S C 1.361 175.880 174.600 -0.135 0.000 0.966 247 S CA 0.303 58.374 58.200 -0.214 0.000 0.911 247 S CB -0.076 63.058 63.200 -0.110 0.000 0.780 247 S HN 0.651 nan 8.310 nan 0.000 0.514 248 Q N 0.869 120.573 119.800 -0.160 0.000 2.408 248 Q HA 0.373 4.713 4.340 -0.000 0.000 0.205 248 Q C 0.572 176.678 176.000 0.177 0.000 0.919 248 Q CA 0.350 56.165 55.803 0.021 0.000 0.932 248 Q CB 0.655 29.423 28.738 0.050 0.000 1.058 248 Q HN 0.730 nan 8.270 nan 0.000 0.517 249 G N 1.252 110.168 108.800 0.193 0.000 2.351 249 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.472 249 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.472 249 G C -2.133 173.035 174.900 0.447 0.000 1.570 249 G CA -0.972 44.299 45.100 0.286 0.000 0.921 249 G HN -0.012 nan 8.290 nan 0.000 0.674 250 D N 0.499 121.055 120.400 0.259 0.000 2.329 250 D HA 0.377 5.017 4.640 -0.000 0.000 0.232 250 D C 0.315 176.422 176.300 -0.322 0.000 1.088 250 D CA -0.410 53.697 54.000 0.178 0.000 0.835 250 D CB 1.489 42.401 40.800 0.186 0.000 1.078 250 D HN 0.460 nan 8.370 nan 0.000 0.495 251 E N 4.992 124.838 120.200 -0.589 0.000 1.795 251 E HA 0.095 4.445 4.350 -0.000 0.000 0.261 251 E C 0.066 176.347 176.600 -0.533 0.000 1.238 251 E CA -0.347 55.353 56.400 -1.165 0.000 1.001 251 E CB 0.003 29.193 29.700 -0.850 0.000 1.065 251 E HN 0.507 nan 8.360 nan 0.000 0.418 252 L N 3.425 124.480 121.223 -0.280 0.000 2.483 252 L HA 0.053 4.392 4.340 -0.000 0.000 0.276 252 L C 0.476 177.349 176.870 0.006 0.000 1.213 252 L CA 0.452 55.285 54.840 -0.012 0.000 0.843 252 L CB 0.328 42.493 42.059 0.177 0.000 1.107 252 L HN 0.488 nan 8.230 nan 0.000 0.487 253 D N 0.966 121.382 120.400 0.026 0.000 2.342 253 D HA 0.516 5.156 4.640 -0.000 0.000 0.243 253 D C -0.854 175.484 176.300 0.063 0.000 1.019 253 D CA -0.286 53.747 54.000 0.055 0.000 0.864 253 D CB 2.172 43.008 40.800 0.060 0.000 1.315 253 D HN 0.418 nan 8.370 nan 0.000 0.468 254 S N -0.182 115.557 115.700 0.065 0.000 2.599 254 S HA 0.591 5.061 4.470 -0.000 0.000 0.287 254 S C -0.524 174.109 174.600 0.055 0.000 1.105 254 S CA -0.738 57.503 58.200 0.068 0.000 0.899 254 S CB 2.159 65.398 63.200 0.065 0.000 1.100 254 S HN 0.292 nan 8.310 nan 0.000 0.482 255 T N 2.461 117.062 114.554 0.079 0.000 2.791 255 T HA 0.478 4.827 4.350 -0.000 0.000 0.288 255 T C -0.625 174.143 174.700 0.113 0.000 0.999 255 T CA -0.352 61.790 62.100 0.070 0.000 0.952 255 T CB 0.945 69.831 68.868 0.029 0.000 0.938 255 T HN 0.516 nan 8.240 nan 0.000 0.444 256 T N 3.497 118.101 114.554 0.084 0.000 2.744 256 T HA 0.423 4.773 4.350 -0.000 0.000 0.291 256 T C 0.188 174.895 174.700 0.012 0.000 0.957 256 T CA -0.455 61.645 62.100 0.000 0.000 1.002 256 T CB 0.793 69.641 68.868 -0.033 0.000 0.919 256 T HN 0.278 nan 8.240 nan 0.000 0.468 257 V N 4.652 124.536 119.914 -0.050 0.000 2.439 257 V HA 0.444 4.563 4.120 -0.000 0.000 0.282 257 V C -0.683 175.298 176.094 -0.188 0.000 1.039 257 V CA -0.673 61.638 62.300 0.017 0.000 0.913 257 V CB 0.747 32.650 31.823 0.134 0.000 0.983 257 V HN 0.770 nan 8.190 nan 0.000 0.460 258 F N 2.674 122.627 119.950 0.005 0.000 2.325 258 F HA 0.398 4.925 4.527 -0.001 0.000 0.369 258 F C 0.473 176.268 175.800 -0.009 0.000 1.095 258 F CA -0.890 57.102 58.000 -0.013 0.000 1.082 258 F CB 0.972 39.952 39.000 -0.033 0.000 1.289 258 F HN 0.404 nan 8.300 nan 0.000 0.462 259 D N 4.045 124.508 120.400 0.104 0.000 2.483 259 D HA 0.078 4.718 4.640 -0.000 0.000 0.220 259 D C 0.009 176.354 176.300 0.074 0.000 1.173 259 D CA 0.036 54.080 54.000 0.073 0.000 0.964 259 D CB -0.024 40.801 40.800 0.042 0.000 1.046 259 D HN 0.615 nan 8.370 nan 0.000 0.517 260 N N 0.176 118.923 118.700 0.078 0.000 2.705 260 N HA -0.180 4.560 4.740 -0.000 0.000 0.255 260 N C -0.515 175.045 175.510 0.083 0.000 1.008 260 N CA -0.034 53.053 53.050 0.063 0.000 0.742 260 N CB -0.476 38.035 38.487 0.041 0.000 0.906 260 N HN 0.167 nan 8.380 nan 0.000 0.541 261 V N 1.518 121.501 119.914 0.115 0.000 2.508 261 V HA 0.095 4.215 4.120 -0.000 0.000 0.281 261 V C 0.434 176.582 176.094 0.090 0.000 1.041 261 V CA -0.171 62.204 62.300 0.126 0.000 1.016 261 V CB 0.227 32.188 31.823 0.231 0.000 0.984 261 V HN 0.281 nan 8.190 nan 0.000 0.478 262 F N 7.027 126.956 119.950 -0.035 0.000 2.438 262 F HA 0.567 5.093 4.527 -0.000 0.000 0.356 262 F C -0.003 175.738 175.800 -0.098 0.000 1.099 262 F CA -0.334 57.617 58.000 -0.081 0.000 1.185 262 F CB 0.400 39.356 39.000 -0.075 0.000 1.115 262 F HN 0.331 nan 8.300 nan 0.000 0.526 263 I N 8.450 128.416 120.570 -1.006 0.000 2.382 263 I HA 0.309 4.479 4.170 -0.000 0.000 0.286 263 I C -2.354 172.998 176.117 -1.275 0.000 1.002 263 I CA -2.365 58.381 61.300 -0.924 0.000 1.135 263 I CB 1.594 39.280 38.000 -0.523 0.000 1.288 263 I HN 0.434 nan 8.210 nan 0.000 0.448 264 P HA -0.007 nan 4.420 nan 0.000 0.269 264 P C 0.288 177.389 177.300 -0.330 0.000 1.209 264 P CA 0.029 62.782 63.100 -0.580 0.000 0.776 264 P CB 0.490 32.095 31.700 -0.158 0.000 0.876 265 W N 1.148 122.385 121.300 -0.105 0.000 2.313 265 W HA -0.227 4.433 4.660 -0.000 0.000 0.293 265 W C 1.796 178.280 176.519 -0.058 0.000 1.216 265 W CA 1.056 58.362 57.345 -0.065 0.000 1.223 265 W CB -0.734 28.723 29.460 -0.004 0.000 1.138 265 W HN 0.481 nan 8.180 nan 0.000 0.535 266 E N -0.328 119.981 120.200 0.182 0.000 2.333 266 E HA -0.190 4.160 4.350 -0.000 0.000 0.198 266 E C 1.504 178.139 176.600 0.059 0.000 1.007 266 E CA 1.053 57.531 56.400 0.131 0.000 0.845 266 E CB -0.410 29.363 29.700 0.121 0.000 0.766 266 E HN 0.451 nan 8.360 nan 0.000 0.507 267 Q N -0.033 119.733 119.800 -0.056 0.000 2.247 267 Q HA 0.163 4.502 4.340 -0.000 0.000 0.204 267 Q C -0.550 175.170 176.000 -0.467 0.000 0.872 267 Q CA -0.125 55.553 55.803 -0.207 0.000 0.951 267 Q CB 1.135 29.756 28.738 -0.195 0.000 1.099 267 Q HN 0.061 nan 8.270 nan 0.000 0.501 268 V N 1.047 120.807 119.914 -0.257 0.000 2.427 268 V HA 0.168 4.288 4.120 -0.000 0.000 0.286 268 V C 0.022 176.086 176.094 -0.050 0.000 1.034 268 V CA -0.182 61.977 62.300 -0.234 0.000 0.893 268 V CB 0.887 32.734 31.823 0.040 0.000 0.982 268 V HN 0.169 nan 8.190 nan 0.000 0.452 269 F N 1.534 121.548 119.950 0.106 0.000 2.553 269 F HA 0.347 4.874 4.527 -0.001 0.000 0.282 269 F C 0.815 176.815 175.800 0.333 0.000 1.089 269 F CA -0.014 58.044 58.000 0.096 0.000 1.411 269 F CB -0.167 38.758 39.000 -0.125 0.000 1.125 269 F HN 0.653 nan 8.300 nan 0.000 0.610 270 H N -0.533 118.824 119.070 0.479 0.000 3.123 270 H HA 0.569 5.125 4.556 -0.000 0.000 0.346 270 H C -1.334 174.246 175.328 0.420 0.000 1.138 270 H CA -1.361 54.967 56.048 0.467 0.000 1.273 270 H CB 1.755 31.899 29.762 0.637 0.000 1.926 270 H HN -0.011 nan 8.280 nan 0.000 0.524 271 I N 1.399 121.832 120.570 -0.229 0.000 2.769 271 I HA 0.756 4.926 4.170 -0.000 0.000 0.298 271 I C 0.694 176.684 176.117 -0.210 0.000 1.128 271 I CA -0.265 61.001 61.300 -0.056 0.000 1.031 271 I CB 2.283 40.314 38.000 0.052 0.000 1.235 271 I HN 0.878 nan 8.210 nan 0.000 0.423 272 G N 3.691 112.521 108.800 0.051 0.000 2.217 272 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.246 272 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.246 272 G C -0.009 174.986 174.900 0.159 0.000 0.990 272 G CA 0.412 45.555 45.100 0.072 0.000 0.627 272 G HN 0.964 nan 8.290 nan 0.000 0.522 273 N N 1.072 119.976 118.700 0.340 0.000 2.558 273 N HA 0.529 5.268 4.740 -0.000 0.000 0.242 273 N C -1.320 174.414 175.510 0.373 0.000 0.979 273 N CA -1.960 51.296 53.050 0.344 0.000 0.931 273 N CB 1.702 40.400 38.487 0.352 0.000 1.122 273 N HN -0.029 nan 8.380 nan 0.000 0.508 274 P HA -0.168 nan 4.420 nan 0.000 0.215 274 P C 0.809 178.266 177.300 0.261 0.000 1.153 274 P CA 1.026 64.318 63.100 0.319 0.000 0.853 274 P CB 0.329 32.204 31.700 0.292 0.000 0.788 275 E N -1.308 118.986 120.200 0.156 0.000 2.118 275 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 275 E C 2.012 178.633 176.600 0.036 0.000 0.992 275 E CA 1.324 57.743 56.400 0.033 0.000 0.804 275 E CB -0.947 28.777 29.700 0.040 0.000 0.741 275 E HN 0.459 nan 8.360 nan 0.000 0.458 276 H N 0.400 119.469 119.070 -0.003 0.000 2.423 276 H HA 0.083 4.639 4.556 -0.000 0.000 0.297 276 H C 1.605 176.901 175.328 -0.055 0.000 1.075 276 H CA 1.421 57.399 56.048 -0.117 0.000 1.342 276 H CB 0.010 29.589 29.762 -0.306 0.000 1.395 276 H HN 0.118 nan 8.280 nan 0.000 0.530 277 A N 0.174 123.065 122.820 0.118 0.000 2.239 277 A HA -0.027 4.293 4.320 -0.000 0.000 0.209 277 A C 2.008 179.686 177.584 0.158 0.000 1.171 277 A CA 0.604 52.783 52.037 0.237 0.000 0.768 277 A CB -0.273 18.983 19.000 0.427 0.000 0.790 277 A HN 0.434 nan 8.150 nan 0.000 0.478 278 K N -0.672 119.697 120.400 -0.051 0.000 1.991 278 K HA 0.055 4.375 4.320 -0.000 0.000 0.208 278 K C 1.348 177.877 176.600 -0.118 0.000 1.038 278 K CA 1.028 57.209 56.287 -0.176 0.000 0.943 278 K CB -0.174 32.101 32.500 -0.375 0.000 0.736 278 K HN 0.298 nan 8.250 nan 0.000 0.440 279 L N -0.401 120.712 121.223 -0.183 0.000 2.298 279 L HA 0.013 4.353 4.340 -0.000 0.000 0.209 279 L C 2.173 178.863 176.870 -0.300 0.000 1.084 279 L CA 1.469 56.152 54.840 -0.260 0.000 0.816 279 L CB -1.083 40.751 42.059 -0.375 0.000 0.967 279 L HN 0.177 nan 8.230 nan 0.000 0.460 280 Y N 0.821 120.927 120.300 -0.324 0.000 2.184 280 Y HA -0.089 4.461 4.550 -0.000 0.000 0.290 280 Y C -0.091 175.802 175.900 -0.011 0.000 1.129 280 Y CA 1.422 59.315 58.100 -0.345 0.000 1.144 280 Y CB -1.764 36.081 38.460 -1.024 0.000 0.995 280 Y HN 0.193 nan 8.280 nan 0.000 0.513 281 P HA -0.171 nan 4.420 nan 0.000 0.219 281 P C 0.971 178.493 177.300 0.370 0.000 1.146 281 P CA 1.707 65.111 63.100 0.507 0.000 0.808 281 P CB -0.042 32.024 31.700 0.610 0.000 0.779 282 Q N -0.716 119.194 119.800 0.183 0.000 2.119 282 Q HA -0.091 4.248 4.340 -0.000 0.000 0.201 282 Q C 2.235 178.305 176.000 0.118 0.000 0.972 282 Q CA 1.051 56.929 55.803 0.124 0.000 0.847 282 Q CB -0.286 28.467 28.738 0.024 0.000 0.903 282 Q HN 0.340 nan 8.270 nan 0.000 0.433 283 R N 0.329 120.867 120.500 0.062 0.000 2.115 283 R HA -0.063 4.277 4.340 -0.000 0.000 0.230 283 R C 2.208 178.566 176.300 0.096 0.000 1.111 283 R CA 0.955 57.085 56.100 0.050 0.000 0.976 283 R CB -0.249 30.052 30.300 0.001 0.000 0.870 283 R HN 0.284 nan 8.270 nan 0.000 0.445 284 I N -0.149 120.498 120.570 0.129 0.000 2.315 284 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 284 I C 1.641 177.701 176.117 -0.096 0.000 1.117 284 I CA 1.418 62.732 61.300 0.022 0.000 1.404 284 I CB -0.152 37.854 38.000 0.009 0.000 1.071 284 I HN 0.058 nan 8.210 nan 0.000 0.419 285 F N 0.917 120.775 119.950 -0.153 0.000 2.558 285 F HA -0.126 4.400 4.527 -0.000 0.000 0.298 285 F C 2.020 177.640 175.800 -0.301 0.000 1.119 285 F CA 0.683 58.480 58.000 -0.338 0.000 1.451 285 F CB -0.259 38.454 39.000 -0.478 0.000 1.091 285 F HN 0.066 nan 8.300 nan 0.000 0.563 286 D N -0.234 120.204 120.400 0.064 0.000 2.127 286 D HA -0.261 4.378 4.640 -0.000 0.000 0.190 286 D C 1.989 178.320 176.300 0.052 0.000 1.000 286 D CA 1.671 55.735 54.000 0.107 0.000 0.839 286 D CB -0.620 40.146 40.800 -0.057 0.000 0.955 286 D HN 0.342 nan 8.370 nan 0.000 0.446 287 W N 0.522 121.883 121.300 0.102 0.000 2.402 287 W HA -0.072 4.587 4.660 -0.001 0.000 0.286 287 W C 2.461 179.030 176.519 0.083 0.000 1.221 287 W CA 0.217 57.643 57.345 0.135 0.000 1.257 287 W CB -0.389 29.217 29.460 0.244 0.000 1.120 287 W HN -0.148 nan 8.180 nan 0.000 0.551 288 V N -0.188 119.840 119.914 0.190 0.000 2.453 288 V HA -0.265 3.854 4.120 -0.000 0.000 0.247 288 V C 2.314 178.506 176.094 0.163 0.000 1.048 288 V CA 1.869 64.221 62.300 0.087 0.000 1.049 288 V CB -0.585 31.188 31.823 -0.085 0.000 0.672 288 V HN 0.127 nan 8.190 nan 0.000 0.457 289 H N -1.053 118.101 119.070 0.140 0.000 2.352 289 H HA -0.199 4.357 4.556 -0.000 0.000 0.299 289 H C 2.012 177.283 175.328 -0.096 0.000 1.097 289 H CA 2.154 58.267 56.048 0.108 0.000 1.311 289 H CB -0.666 29.259 29.762 0.271 0.000 1.377 289 H HN 0.716 nan 8.280 nan 0.000 0.504 290 Y N 0.415 120.526 120.300 -0.316 0.000 2.242 290 Y HA -0.238 4.312 4.550 -0.000 0.000 0.291 290 Y C 2.884 178.658 175.900 -0.209 0.000 1.137 290 Y CA 1.853 59.588 58.100 -0.608 0.000 1.181 290 Y CB -0.145 37.912 38.460 -0.672 0.000 0.989 290 Y HN 0.281 nan 8.280 nan 0.000 0.527 291 H N -0.029 118.853 119.070 -0.314 0.000 2.357 291 H HA -0.132 4.424 4.556 -0.000 0.000 0.301 291 H C 2.012 177.158 175.328 -0.304 0.000 1.082 291 H CA 2.334 58.134 56.048 -0.412 0.000 1.342 291 H CB -0.329 29.242 29.762 -0.320 0.000 1.389 291 H HN 0.409 nan 8.280 nan 0.000 0.511 292 I N -0.178 120.346 120.570 -0.076 0.000 2.151 292 I HA -0.265 3.904 4.170 -0.000 0.000 0.243 292 I C 2.267 178.234 176.117 -0.250 0.000 1.080 292 I CA 1.095 62.335 61.300 -0.101 0.000 1.339 292 I CB -0.250 37.752 38.000 0.004 0.000 1.039 292 I HN 0.315 nan 8.210 nan 0.000 0.409 293 L N 0.901 121.975 121.223 -0.247 0.000 2.083 293 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 293 L C 2.292 178.977 176.870 -0.308 0.000 1.083 293 L CA 1.807 56.503 54.840 -0.241 0.000 0.752 293 L CB -0.434 41.547 42.059 -0.130 0.000 0.899 293 L HN 0.136 nan 8.230 nan 0.000 0.433 294 I N -0.793 119.508 120.570 -0.447 0.000 2.226 294 I HA -0.319 3.850 4.170 -0.000 0.000 0.245 294 I C 2.726 178.637 176.117 -0.343 0.000 1.100 294 I CA 1.540 62.587 61.300 -0.422 0.000 1.374 294 I CB -0.382 37.275 38.000 -0.572 0.000 1.057 294 I HN 0.303 nan 8.210 nan 0.000 0.413 295 R N 0.833 121.089 120.500 -0.408 0.000 2.092 295 R HA -0.184 4.156 4.340 -0.000 0.000 0.231 295 R C 2.300 178.446 176.300 -0.257 0.000 1.119 295 R CA 1.403 57.327 56.100 -0.293 0.000 0.970 295 R CB -0.070 30.079 30.300 -0.251 0.000 0.864 295 R HN 0.424 nan 8.270 nan 0.000 0.440 296 Q N -0.372 119.200 119.800 -0.381 0.000 2.124 296 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 296 Q C 2.102 177.966 176.000 -0.227 0.000 0.977 296 Q CA 1.644 57.076 55.803 -0.618 0.000 0.850 296 Q CB 0.131 28.293 28.738 -0.961 0.000 0.901 296 Q HN 0.219 nan 8.270 nan 0.000 0.429 297 V N 1.123 120.951 119.914 -0.142 0.000 2.427 297 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 297 V C 2.162 178.313 176.094 0.095 0.000 1.051 297 V CA 1.394 63.688 62.300 -0.011 0.000 1.048 297 V CB -0.505 31.286 31.823 -0.052 0.000 0.666 297 V HN 0.352 nan 8.190 nan 0.000 0.456 298 L N -0.233 121.001 121.223 0.018 0.000 2.046 298 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 298 L C 2.763 179.688 176.870 0.093 0.000 1.077 298 L CA 1.599 56.465 54.840 0.042 0.000 0.747 298 L CB -0.643 41.405 42.059 -0.020 0.000 0.896 298 L HN 0.283 nan 8.230 nan 0.000 0.432 299 R N 0.982 121.547 120.500 0.109 0.000 2.081 299 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 299 R C 2.213 178.714 176.300 0.335 0.000 1.131 299 R CA 1.762 57.992 56.100 0.217 0.000 0.960 299 R CB -0.808 29.653 30.300 0.268 0.000 0.856 299 R HN 0.289 nan 8.270 nan 0.000 0.436 300 A N 0.628 123.699 122.820 0.419 0.000 1.940 300 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 300 A C 2.157 179.915 177.584 0.289 0.000 1.176 300 A CA 1.812 54.118 52.037 0.449 0.000 0.631 300 A CB -0.686 18.546 19.000 0.386 0.000 0.814 300 A HN 0.619 nan 8.150 nan 0.000 0.446 301 E N -0.684 119.638 120.200 0.203 0.000 2.072 301 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 301 E C 1.909 178.514 176.600 0.007 0.000 0.985 301 E CA 1.295 57.665 56.400 -0.050 0.000 0.801 301 E CB -0.176 29.492 29.700 -0.053 0.000 0.750 301 E HN 0.453 nan 8.360 nan 0.000 0.452 302 L N 1.107 122.378 121.223 0.080 0.000 2.046 302 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 302 L C 2.115 179.051 176.870 0.111 0.000 1.077 302 L CA 1.475 56.364 54.840 0.083 0.000 0.747 302 L CB -0.357 41.761 42.059 0.100 0.000 0.896 302 L HN 0.212 nan 8.230 nan 0.000 0.432 303 I N -1.612 119.059 120.570 0.169 0.000 2.226 303 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 303 I C 2.298 178.480 176.117 0.108 0.000 1.100 303 I CA 1.228 62.632 61.300 0.173 0.000 1.374 303 I CB -0.360 37.769 38.000 0.216 0.000 1.057 303 I HN 0.077 nan 8.210 nan 0.000 0.413 304 V N 0.933 120.901 119.914 0.091 0.000 2.343 304 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 304 V C 2.589 178.700 176.094 0.028 0.000 1.051 304 V CA 2.135 64.466 62.300 0.052 0.000 1.036 304 V CB -1.504 30.328 31.823 0.016 0.000 0.654 304 V HN 0.579 nan 8.190 nan 0.000 0.451 305 G N 0.024 108.835 108.800 0.018 0.000 2.446 305 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 305 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 305 G C 1.589 176.506 174.900 0.028 0.000 1.168 305 G CA 1.071 46.179 45.100 0.014 0.000 0.771 305 G HN 0.464 nan 8.290 nan 0.000 0.551 306 L N 0.743 121.993 121.223 0.044 0.000 2.042 306 L HA -0.095 4.244 4.340 -0.000 0.000 0.210 306 L C 3.434 180.327 176.870 0.039 0.000 1.076 306 L CA 1.060 55.928 54.840 0.047 0.000 0.749 306 L CB -0.469 41.636 42.059 0.077 0.000 0.893 306 L HN 0.315 nan 8.230 nan 0.000 0.432 307 A N 0.359 123.203 122.820 0.040 0.000 1.877 307 A HA -0.193 4.126 4.320 -0.000 0.000 0.216 307 A C 2.226 179.827 177.584 0.028 0.000 1.186 307 A CA 1.668 53.722 52.037 0.028 0.000 0.620 307 A CB -0.665 18.350 19.000 0.026 0.000 0.822 307 A HN 0.346 nan 8.150 nan 0.000 0.443 308 I N -0.962 119.625 120.570 0.029 0.000 2.179 308 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 308 I C 2.330 178.470 176.117 0.037 0.000 1.088 308 I CA 0.787 62.104 61.300 0.029 0.000 1.357 308 I CB -0.317 37.697 38.000 0.023 0.000 1.051 308 I HN 0.229 nan 8.210 nan 0.000 0.409 309 L N 0.156 121.400 121.223 0.036 0.000 1.955 309 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 309 L C 2.368 179.277 176.870 0.064 0.000 1.072 309 L CA 1.859 56.725 54.840 0.044 0.000 0.755 309 L CB -0.837 41.236 42.059 0.024 0.000 0.888 309 L HN 0.174 nan 8.230 nan 0.000 0.432 310 I N -1.526 119.070 120.570 0.044 0.000 2.394 310 I HA -0.239 3.930 4.170 -0.000 0.000 0.251 310 I C 2.405 178.569 176.117 0.078 0.000 1.136 310 I CA 1.423 62.753 61.300 0.050 0.000 1.425 310 I CB -0.362 37.652 38.000 0.022 0.000 1.079 310 I HN 0.253 nan 8.210 nan 0.000 0.425 311 T N -0.381 114.208 114.554 0.057 0.000 2.857 311 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 311 T C 1.759 176.493 174.700 0.057 0.000 1.048 311 T CA 1.375 63.504 62.100 0.048 0.000 1.139 311 T CB -0.062 68.824 68.868 0.030 0.000 0.874 311 T HN 0.442 nan 8.240 nan 0.000 0.455 312 E N -0.629 119.610 120.200 0.066 0.000 2.158 312 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 312 E C 1.916 178.559 176.600 0.072 0.000 0.982 312 E CA 0.736 57.170 56.400 0.057 0.000 0.823 312 E CB -0.083 29.648 29.700 0.051 0.000 0.766 312 E HN 0.607 nan 8.360 nan 0.000 0.468 313 H N 0.675 119.757 119.070 0.020 0.000 2.357 313 H HA -0.018 4.538 4.556 -0.001 0.000 0.301 313 H C 1.947 177.293 175.328 0.030 0.000 1.082 313 H CA 1.479 57.543 56.048 0.026 0.000 1.342 313 H CB 0.114 29.892 29.762 0.026 0.000 1.389 313 H HN 0.041 nan 8.280 nan 0.000 0.511 314 I N -0.910 119.758 120.570 0.162 0.000 2.439 314 I HA -0.041 4.128 4.170 -0.000 0.000 0.251 314 I C 1.657 177.796 176.117 0.036 0.000 1.139 314 I CA 1.100 62.461 61.300 0.102 0.000 1.438 314 I CB 0.020 38.075 38.000 0.093 0.000 1.085 314 I HN 0.606 nan 8.210 nan 0.000 0.427 315 G N 0.938 109.754 108.800 0.026 0.000 2.135 315 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.183 315 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.183 315 G C 0.725 175.634 174.900 0.015 0.000 1.004 315 G CA 0.412 45.517 45.100 0.009 0.000 0.677 315 G HN 0.373 nan 8.290 nan 0.000 0.512 316 T N -2.034 112.533 114.554 0.022 0.000 3.040 316 T HA 0.304 4.653 4.350 -0.000 0.000 0.250 316 T C 2.479 177.189 174.700 0.016 0.000 1.058 316 T CA 1.376 63.486 62.100 0.017 0.000 0.988 316 T CB 0.084 68.962 68.868 0.017 0.000 0.993 316 T HN 1.087 nan 8.240 nan 0.000 0.519 317 S N 2.856 118.567 115.700 0.019 0.000 2.419 317 S HA -0.209 4.261 4.470 -0.000 0.000 0.235 317 S C 1.898 176.507 174.600 0.015 0.000 1.019 317 S CA 1.104 59.315 58.200 0.018 0.000 0.982 317 S CB -0.567 62.646 63.200 0.022 0.000 0.789 317 S HN 0.856 nan 8.310 nan 0.000 0.490 318 K N 0.152 120.560 120.400 0.012 0.000 2.167 318 K HA 0.197 4.517 4.320 -0.000 0.000 0.203 318 K C 0.088 176.694 176.600 0.010 0.000 1.052 318 K CA -0.048 56.246 56.287 0.010 0.000 0.956 318 K CB -0.512 31.993 32.500 0.008 0.000 0.735 318 K HN 0.169 nan 8.250 nan 0.000 0.451 319 L N 3.092 124.321 121.223 0.009 0.000 2.540 319 L HA 0.036 4.376 4.340 -0.000 0.000 0.276 319 L C -1.638 175.238 176.870 0.009 0.000 1.212 319 L CA -1.573 53.272 54.840 0.008 0.000 0.893 319 L CB 0.359 42.422 42.059 0.007 0.000 1.138 319 L HN 0.015 nan 8.230 nan 0.000 0.491 320 P HA -0.125 nan 4.420 nan 0.000 0.217 320 P C 1.537 178.843 177.300 0.009 0.000 1.150 320 P CA 1.499 64.604 63.100 0.009 0.000 0.832 320 P CB 0.045 31.750 31.700 0.008 0.000 0.787 321 T N -3.260 111.298 114.554 0.007 0.000 2.833 321 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 321 T C 1.802 176.505 174.700 0.005 0.000 1.054 321 T CA 1.188 63.291 62.100 0.006 0.000 1.135 321 T CB -1.433 67.437 68.868 0.004 0.000 0.869 321 T HN -0.110 nan 8.240 nan 0.000 0.466 322 V N 1.421 121.338 119.914 0.006 0.000 2.407 322 V HA -0.085 4.035 4.120 -0.000 0.000 0.245 322 V C 3.057 179.156 176.094 0.009 0.000 1.041 322 V CA 1.776 64.079 62.300 0.005 0.000 1.040 322 V CB -0.800 31.027 31.823 0.006 0.000 0.671 322 V HN 0.495 nan 8.190 nan 0.000 0.455 323 S N 0.490 116.198 115.700 0.012 0.000 2.382 323 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 323 S C 2.211 176.822 174.600 0.018 0.000 1.027 323 S CA 1.453 59.663 58.200 0.016 0.000 0.991 323 S CB -0.448 62.762 63.200 0.016 0.000 0.823 323 S HN 0.642 nan 8.310 nan 0.000 0.469 324 A N 1.583 124.412 122.820 0.016 0.000 1.933 324 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 324 A C 2.145 179.741 177.584 0.019 0.000 1.175 324 A CA 1.257 53.305 52.037 0.018 0.000 0.628 324 A CB -0.367 18.642 19.000 0.015 0.000 0.814 324 A HN 0.416 nan 8.150 nan 0.000 0.444 325 R N -0.859 119.648 120.500 0.013 0.000 2.090 325 R HA -0.016 4.324 4.340 -0.000 0.000 0.228 325 R C 1.951 178.260 176.300 0.015 0.000 1.110 325 R CA 1.248 57.353 56.100 0.008 0.000 0.973 325 R CB -0.407 29.890 30.300 -0.005 0.000 0.869 325 R HN 0.363 nan 8.270 nan 0.000 0.440 326 V N 1.014 120.939 119.914 0.019 0.000 2.407 326 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 326 V C 2.359 178.480 176.094 0.045 0.000 1.055 326 V CA 1.911 64.228 62.300 0.029 0.000 1.049 326 V CB -0.638 31.201 31.823 0.026 0.000 0.662 326 V HN 0.398 nan 8.190 nan 0.000 0.455 327 A N 1.435 124.281 122.820 0.043 0.000 1.902 327 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 327 A C 2.194 179.821 177.584 0.073 0.000 1.181 327 A CA 2.168 54.237 52.037 0.054 0.000 0.623 327 A CB -0.429 18.597 19.000 0.044 0.000 0.818 327 A HN 0.697 nan 8.150 nan 0.000 0.443 328 K N 0.185 120.623 120.400 0.063 0.000 2.365 328 K HA 0.108 4.428 4.320 -0.000 0.000 0.199 328 K C 1.430 178.097 176.600 0.111 0.000 1.045 328 K CA 1.288 57.621 56.287 0.077 0.000 0.962 328 K CB -0.506 32.021 32.500 0.044 0.000 0.759 328 K HN 0.436 nan 8.250 nan 0.000 0.469 329 L N 0.324 121.607 121.223 0.100 0.000 2.095 329 L HA -0.046 4.294 4.340 -0.000 0.000 0.204 329 L C 2.208 179.209 176.870 0.217 0.000 1.080 329 L CA 0.441 55.368 54.840 0.145 0.000 0.759 329 L CB -0.384 41.728 42.059 0.089 0.000 0.914 329 L HN 0.012 nan 8.230 nan 0.000 0.439 330 V N 0.480 120.489 119.914 0.159 0.000 2.332 330 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 330 V C 2.823 179.045 176.094 0.212 0.000 1.055 330 V CA 1.837 64.241 62.300 0.174 0.000 1.038 330 V CB -0.907 30.986 31.823 0.116 0.000 0.651 330 V HN 0.478 nan 8.190 nan 0.000 0.450 331 A N -0.364 122.566 122.820 0.183 0.000 1.908 331 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 331 A C 2.118 179.846 177.584 0.241 0.000 1.181 331 A CA 2.237 54.381 52.037 0.178 0.000 0.627 331 A CB -0.754 18.339 19.000 0.155 0.000 0.818 331 A HN 0.516 nan 8.150 nan 0.000 0.445 332 F N 0.342 120.375 119.950 0.139 0.000 2.075 332 F HA -0.200 4.327 4.527 -0.000 0.000 0.297 332 F C 2.247 178.170 175.800 0.204 0.000 1.113 332 F CA 2.284 60.386 58.000 0.169 0.000 1.218 332 F CB -0.873 38.188 39.000 0.103 0.000 0.984 332 F HN 0.548 nan 8.300 nan 0.000 0.472 333 H N -0.311 118.804 119.070 0.076 0.000 2.319 333 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 333 H C 2.004 177.319 175.328 -0.021 0.000 1.092 333 H CA 2.405 58.446 56.048 -0.012 0.000 1.302 333 H CB -0.524 29.285 29.762 0.078 0.000 1.373 333 H HN 0.237 nan 8.280 nan 0.000 0.497 334 L N 0.492 121.663 121.223 -0.087 0.000 2.131 334 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 334 L C 2.678 179.475 176.870 -0.121 0.000 1.092 334 L CA 1.756 56.518 54.840 -0.130 0.000 0.759 334 L CB -1.464 40.616 42.059 0.035 0.000 0.903 334 L HN 0.568 nan 8.230 nan 0.000 0.435 335 A N -1.632 121.150 122.820 -0.064 0.000 1.897 335 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 335 A C 2.208 179.801 177.584 0.016 0.000 1.181 335 A CA 1.299 53.321 52.037 -0.025 0.000 0.620 335 A CB -0.299 18.711 19.000 0.017 0.000 0.821 335 A HN 0.257 nan 8.150 nan 0.000 0.443 336 M N -0.448 119.068 119.600 -0.141 0.000 2.067 336 M HA -0.179 4.301 4.480 -0.000 0.000 0.260 336 M C 2.337 178.595 176.300 -0.070 0.000 1.069 336 M CA 2.013 57.242 55.300 -0.119 0.000 1.117 336 M CB -1.507 30.948 32.600 -0.241 0.000 1.334 336 M HN 0.712 nan 8.290 nan 0.000 0.407 337 Q N -0.094 119.576 119.800 -0.217 0.000 2.135 337 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 337 Q C 1.977 177.936 176.000 -0.068 0.000 0.981 337 Q CA 1.993 57.684 55.803 -0.187 0.000 0.856 337 Q CB -0.058 28.456 28.738 -0.373 0.000 0.902 337 Q HN 0.474 nan 8.270 nan 0.000 0.425 338 A N 0.101 122.881 122.820 -0.068 0.000 1.908 338 A HA -0.238 4.081 4.320 -0.000 0.000 0.218 338 A C 1.597 179.151 177.584 -0.051 0.000 1.181 338 A CA 1.846 53.844 52.037 -0.065 0.000 0.627 338 A CB -0.965 17.971 19.000 -0.107 0.000 0.818 338 A HN 0.587 nan 8.150 nan 0.000 0.445 339 H N -1.203 117.846 119.070 -0.035 0.000 2.352 339 H HA -0.102 4.454 4.556 -0.001 0.000 0.299 339 H C 1.928 177.299 175.328 0.071 0.000 1.097 339 H CA 1.725 57.785 56.048 0.020 0.000 1.311 339 H CB -0.212 29.570 29.762 0.033 0.000 1.377 339 H HN 0.409 nan 8.280 nan 0.000 0.504 340 L N 0.442 121.772 121.223 0.178 0.000 1.989 340 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 340 L C 2.006 178.970 176.870 0.156 0.000 1.071 340 L CA 1.631 56.568 54.840 0.162 0.000 0.749 340 L CB -0.577 41.525 42.059 0.071 0.000 0.890 340 L HN 0.310 nan 8.230 nan 0.000 0.431 341 I N -0.621 120.004 120.570 0.091 0.000 2.252 341 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 341 I C 2.536 178.697 176.117 0.073 0.000 1.102 341 I CA 1.044 62.391 61.300 0.077 0.000 1.385 341 I CB -0.603 37.419 38.000 0.038 0.000 1.064 341 I HN 0.366 nan 8.210 nan 0.000 0.414 342 A N 0.758 123.605 122.820 0.045 0.000 1.933 342 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 342 A C 2.495 180.116 177.584 0.061 0.000 1.175 342 A CA 2.084 54.136 52.037 0.025 0.000 0.628 342 A CB -0.715 18.262 19.000 -0.038 0.000 0.814 342 A HN 0.529 nan 8.150 nan 0.000 0.444 343 S N -0.157 115.611 115.700 0.113 0.000 2.406 343 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 343 S C 1.580 176.243 174.600 0.106 0.000 1.020 343 S CA 1.259 59.541 58.200 0.138 0.000 0.965 343 S CB -0.414 62.960 63.200 0.290 0.000 0.798 343 S HN 0.666 nan 8.310 nan 0.000 0.488 344 E N 0.671 120.952 120.200 0.136 0.000 2.208 344 E HA -0.042 4.307 4.350 -0.000 0.000 0.193 344 E C 1.817 178.536 176.600 0.198 0.000 0.988 344 E CA 0.971 57.461 56.400 0.149 0.000 0.828 344 E CB -0.051 29.758 29.700 0.182 0.000 0.763 344 E HN 0.464 nan 8.360 nan 0.000 0.478 345 E N -0.231 120.052 120.200 0.138 0.000 2.318 345 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 345 E C 1.070 177.752 176.600 0.137 0.000 0.998 345 E CA 0.855 57.332 56.400 0.127 0.000 0.859 345 E CB 0.435 30.178 29.700 0.071 0.000 0.812 345 E HN 0.204 nan 8.360 nan 0.000 0.492 346 T N -2.558 112.060 114.554 0.106 0.000 3.293 346 T HA 0.493 4.843 4.350 -0.000 0.000 0.276 346 T C 0.761 175.501 174.700 0.067 0.000 1.003 346 T CA -0.204 61.945 62.100 0.082 0.000 0.916 346 T CB 0.322 69.210 68.868 0.035 0.000 1.134 346 T HN 0.035 nan 8.240 nan 0.000 0.530 347 G N 1.382 110.205 108.800 0.037 0.000 2.588 347 G HA2 0.598 4.558 3.960 -0.000 0.000 0.278 347 G HA3 0.598 4.558 3.960 -0.000 0.000 0.278 347 G C -0.584 174.256 174.900 -0.100 0.000 1.307 347 G CA -0.964 43.959 45.100 -0.295 0.000 1.016 347 G HN 0.636 nan 8.290 nan 0.000 0.503 348 F N -3.394 116.290 119.950 -0.444 0.000 2.692 348 F HA 0.706 5.232 4.527 -0.001 0.000 0.320 348 F C -0.952 174.703 175.800 -0.242 0.000 1.123 348 F CA -1.539 56.356 58.000 -0.175 0.000 0.961 348 F CB 1.192 40.136 39.000 -0.093 0.000 1.383 348 F HN 0.451 nan 8.300 nan 0.000 0.483 349 H N 0.129 119.274 119.070 0.125 0.000 2.458 349 H HA 0.487 5.043 4.556 -0.000 0.000 0.330 349 H C 0.138 175.551 175.328 0.143 0.000 1.111 349 H CA -0.068 56.014 56.048 0.057 0.000 1.245 349 H CB 1.718 31.581 29.762 0.167 0.000 1.456 349 H HN 0.881 nan 8.280 nan 0.000 0.488 350 T N -0.838 113.816 114.554 0.166 0.000 2.732 350 T HA 0.050 4.399 4.350 -0.000 0.000 0.287 350 T C 1.445 176.284 174.700 0.231 0.000 0.993 350 T CA -0.795 61.443 62.100 0.229 0.000 0.966 350 T CB 0.857 69.836 68.868 0.186 0.000 1.047 350 T HN 0.671 nan 8.240 nan 0.000 0.527 351 K N -0.065 120.456 120.400 0.202 0.000 2.280 351 K HA 0.020 4.340 4.320 -0.000 0.000 0.202 351 K C 2.027 178.720 176.600 0.155 0.000 1.047 351 K CA 1.164 57.551 56.287 0.166 0.000 0.942 351 K CB -0.825 31.769 32.500 0.157 0.000 0.739 351 K HN 0.804 nan 8.250 nan 0.000 0.457 352 G N -0.829 108.073 108.800 0.170 0.000 3.088 352 G HA2 0.138 4.097 3.960 -0.000 0.000 0.212 352 G HA3 0.138 4.097 3.960 -0.000 0.000 0.212 352 G C 0.742 175.737 174.900 0.158 0.000 1.173 352 G CA 0.232 45.425 45.100 0.156 0.000 0.779 352 G HN 0.452 nan 8.290 nan 0.000 0.540 353 G N -0.293 108.616 108.800 0.181 0.000 2.143 353 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.249 353 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.249 353 G C 0.471 175.574 174.900 0.338 0.000 0.981 353 G CA -0.004 45.215 45.100 0.197 0.000 0.665 353 G HN 0.611 nan 8.290 nan 0.000 0.528 354 R N -0.545 120.137 120.500 0.305 0.000 2.308 354 R HA 0.440 4.780 4.340 -0.000 0.000 0.305 354 R C -0.247 176.199 176.300 0.243 0.000 1.053 354 R CA -0.711 55.575 56.100 0.311 0.000 0.957 354 R CB 0.646 31.131 30.300 0.309 0.000 1.022 354 R HN 0.300 nan 8.270 nan 0.000 0.461 355 Y N 3.601 123.929 120.300 0.048 0.000 2.504 355 Y HA 0.135 4.685 4.550 -0.000 0.000 0.351 355 Y C -0.341 175.461 175.900 -0.163 0.000 0.988 355 Y CA -0.108 57.814 58.100 -0.297 0.000 1.239 355 Y CB 0.411 38.694 38.460 -0.294 0.000 1.128 355 Y HN 0.273 nan 8.280 nan 0.000 0.525 356 K N 8.478 128.305 120.400 -0.954 0.000 2.156 356 K HA 0.354 4.674 4.320 -0.000 0.000 0.271 356 K C -2.516 173.419 176.600 -1.108 0.000 0.995 356 K CA -1.866 53.773 56.287 -1.079 0.000 0.890 356 K CB 1.267 33.002 32.500 -1.275 0.000 1.073 356 K HN 0.440 nan 8.250 nan 0.000 0.454 357 P HA -0.031 nan 4.420 nan 0.000 0.273 357 P C -0.727 176.492 177.300 -0.134 0.000 1.250 357 P CA -0.420 62.425 63.100 -0.425 0.000 0.793 357 P CB 0.419 31.878 31.700 -0.402 0.000 1.011 358 N N 1.656 120.339 118.700 -0.029 0.000 2.405 358 N HA 0.074 4.813 4.740 -0.000 0.000 0.260 358 N C -1.761 173.539 175.510 -0.349 0.000 1.152 358 N CA -1.932 51.081 53.050 -0.062 0.000 0.948 358 N CB -0.124 38.347 38.487 -0.026 0.000 1.111 358 N HN 0.140 nan 8.380 nan 0.000 0.485 359 P HA -0.111 nan 4.420 nan 0.000 0.218 359 P C 1.748 178.666 177.300 -0.636 0.000 1.149 359 P CA 0.539 62.990 63.100 -1.081 0.000 0.817 359 P CB 0.466 31.926 31.700 -0.399 0.000 0.785 360 L N -0.936 120.132 121.223 -0.258 0.000 2.012 360 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 360 L C 2.159 179.092 176.870 0.106 0.000 1.073 360 L CA 1.958 56.794 54.840 -0.006 0.000 0.748 360 L CB -0.552 41.518 42.059 0.018 0.000 0.891 360 L HN -0.038 nan 8.230 nan 0.000 0.431 361 I N -1.096 119.476 120.570 0.004 0.000 2.277 361 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 361 I C 2.514 178.785 176.117 0.257 0.000 1.094 361 I CA 0.968 62.355 61.300 0.146 0.000 1.393 361 I CB -0.493 37.557 38.000 0.084 0.000 1.078 361 I HN 0.286 nan 8.210 nan 0.000 0.417 362 Y N 0.496 120.910 120.300 0.190 0.000 2.352 362 Y HA -0.092 4.458 4.550 -0.001 0.000 0.292 362 Y C 1.760 177.716 175.900 0.093 0.000 1.136 362 Y CA 0.558 58.755 58.100 0.162 0.000 1.227 362 Y CB -1.252 37.319 38.460 0.186 0.000 0.991 362 Y HN 0.101 nan 8.280 nan 0.000 0.545 363 D N 0.140 120.583 120.400 0.071 0.000 2.162 363 D HA -0.096 4.543 4.640 -0.000 0.000 0.203 363 D C 1.625 177.889 176.300 -0.060 0.000 0.967 363 D CA 1.103 55.100 54.000 -0.004 0.000 0.840 363 D CB -0.449 40.253 40.800 -0.163 0.000 0.972 363 D HN 0.422 nan 8.370 nan 0.000 0.482 364 F N 1.048 121.001 119.950 0.005 0.000 2.325 364 F HA 0.056 4.583 4.527 -0.001 0.000 0.299 364 F C 2.453 178.186 175.800 -0.111 0.000 1.090 364 F CA 0.838 58.847 58.000 0.015 0.000 1.392 364 F CB -0.282 38.773 39.000 0.091 0.000 1.053 364 F HN -0.021 nan 8.300 nan 0.000 0.521 365 G N -0.116 108.670 108.800 -0.024 0.000 2.418 365 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 365 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 365 G C 1.849 176.697 174.900 -0.087 0.000 1.158 365 G CA 0.438 45.301 45.100 -0.395 0.000 0.771 365 G HN 0.210 nan 8.290 nan 0.000 0.545 366 R N 0.506 121.005 120.500 -0.002 0.000 2.073 366 R HA -0.011 4.329 4.340 -0.000 0.000 0.234 366 R C 3.010 179.337 176.300 0.044 0.000 1.134 366 R CA 1.201 57.304 56.100 0.005 0.000 0.952 366 R CB -0.444 29.822 30.300 -0.057 0.000 0.850 366 R HN 0.346 nan 8.270 nan 0.000 0.433 367 A N 0.622 123.434 122.820 -0.014 0.000 1.972 367 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 367 A C 1.983 179.625 177.584 0.096 0.000 1.169 367 A CA 1.305 53.338 52.037 -0.007 0.000 0.635 367 A CB -0.784 18.154 19.000 -0.105 0.000 0.810 367 A HN 0.413 nan 8.150 nan 0.000 0.446 368 H N -2.139 116.947 119.070 0.028 0.000 2.357 368 H HA -0.129 4.427 4.556 -0.000 0.000 0.301 368 H C 1.928 177.381 175.328 0.208 0.000 1.082 368 H CA 1.835 57.931 56.048 0.079 0.000 1.342 368 H CB -0.177 29.567 29.762 -0.030 0.000 1.389 368 H HN 0.533 nan 8.280 nan 0.000 0.511 369 F N 1.179 121.185 119.950 0.093 0.000 2.113 369 F HA -0.155 4.372 4.527 -0.000 0.000 0.297 369 F C 2.423 178.284 175.800 0.102 0.000 1.103 369 F CA 1.022 59.139 58.000 0.195 0.000 1.248 369 F CB -0.355 38.722 39.000 0.129 0.000 0.999 369 F HN 0.032 nan 8.300 nan 0.000 0.475 370 L N -0.180 121.210 121.223 0.279 0.000 2.083 370 L HA -0.242 4.098 4.340 -0.000 0.000 0.209 370 L C 2.326 179.180 176.870 -0.026 0.000 1.083 370 L CA 1.401 56.325 54.840 0.141 0.000 0.752 370 L CB -0.749 41.358 42.059 0.079 0.000 0.899 370 L HN 0.249 nan 8.230 nan 0.000 0.433 371 Q N -0.657 119.108 119.800 -0.058 0.000 2.311 371 Q HA -0.050 4.290 4.340 -0.000 0.000 0.203 371 Q C 1.398 177.272 176.000 -0.209 0.000 0.954 371 Q CA 0.692 56.427 55.803 -0.113 0.000 0.885 371 Q CB 0.199 28.893 28.738 -0.073 0.000 0.963 371 Q HN 0.539 nan 8.270 nan 0.000 0.471 372 N N 0.101 118.622 118.700 -0.298 0.000 2.227 372 N HA -0.052 4.688 4.740 -0.000 0.000 0.196 372 N C 1.515 176.661 175.510 -0.607 0.000 1.142 372 N CA 0.213 52.984 53.050 -0.464 0.000 0.887 372 N CB 0.416 38.551 38.487 -0.586 0.000 1.022 372 N HN 0.374 nan 8.380 nan 0.000 0.500 373 Q N 0.612 120.073 119.800 -0.566 0.000 2.135 373 Q HA -0.070 4.270 4.340 -0.000 0.000 0.204 373 Q C 1.747 177.485 176.000 -0.438 0.000 0.981 373 Q CA 1.347 56.796 55.803 -0.589 0.000 0.856 373 Q CB -0.237 28.242 28.738 -0.432 0.000 0.902 373 Q HN 0.262 nan 8.270 nan 0.000 0.425 374 M N 0.867 120.190 119.600 -0.462 0.000 2.156 374 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 374 M C 2.565 178.663 176.300 -0.336 0.000 1.067 374 M CA 1.512 56.521 55.300 -0.485 0.000 1.131 374 M CB -0.170 32.114 32.600 -0.527 0.000 1.368 374 M HN 0.358 nan 8.290 nan 0.000 0.416 375 S N 0.211 115.712 115.700 -0.330 0.000 2.370 375 S HA -0.126 4.344 4.470 -0.000 0.000 0.226 375 S C 1.830 176.280 174.600 -0.249 0.000 1.033 375 S CA 1.411 59.457 58.200 -0.257 0.000 1.011 375 S CB -0.298 62.741 63.200 -0.268 0.000 0.852 375 S HN 0.276 nan 8.310 nan 0.000 0.457 376 V N 2.715 122.382 119.914 -0.411 0.000 2.358 376 V HA -0.193 3.926 4.120 -0.000 0.000 0.246 376 V C 2.582 178.483 176.094 -0.322 0.000 1.047 376 V CA 2.200 64.243 62.300 -0.429 0.000 1.035 376 V CB -0.804 30.587 31.823 -0.720 0.000 0.658 376 V HN 0.820 nan 8.190 nan 0.000 0.452 377 M N -1.003 118.363 119.600 -0.389 0.000 2.319 377 M HA -0.117 4.362 4.480 -0.000 0.000 0.265 377 M C 2.071 178.182 176.300 -0.314 0.000 1.068 377 M CA 1.941 56.898 55.300 -0.571 0.000 1.118 377 M CB -1.119 30.856 32.600 -1.041 0.000 1.395 377 M HN 0.258 nan 8.290 nan 0.000 0.435 378 Y N 1.615 121.743 120.300 -0.286 0.000 2.242 378 Y HA -0.111 4.438 4.550 -0.001 0.000 0.291 378 Y C 2.221 178.037 175.900 -0.141 0.000 1.137 378 Y CA 1.858 59.851 58.100 -0.178 0.000 1.181 378 Y CB -0.098 38.266 38.460 -0.160 0.000 0.989 378 Y HN 0.293 nan 8.280 nan 0.000 0.527 379 E N -0.047 120.080 120.200 -0.122 0.000 2.077 379 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 379 E C 2.197 178.697 176.600 -0.168 0.000 0.989 379 E CA 1.281 57.593 56.400 -0.147 0.000 0.800 379 E CB -0.687 28.955 29.700 -0.097 0.000 0.746 379 E HN 0.470 nan 8.360 nan 0.000 0.452 380 L N 0.869 121.994 121.223 -0.163 0.000 2.046 380 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 380 L C 2.256 179.057 176.870 -0.116 0.000 1.077 380 L CA 1.394 56.166 54.840 -0.113 0.000 0.747 380 L CB -0.539 41.460 42.059 -0.100 0.000 0.896 380 L HN 0.055 nan 8.230 nan 0.000 0.432 381 L N -0.680 120.439 121.223 -0.173 0.000 2.093 381 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 381 L C 2.273 179.015 176.870 -0.213 0.000 1.085 381 L CA 1.386 56.134 54.840 -0.152 0.000 0.755 381 L CB -0.727 41.240 42.059 -0.152 0.000 0.904 381 L HN 0.314 nan 8.230 nan 0.000 0.435 382 D N 0.224 120.417 120.400 -0.345 0.000 2.144 382 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 382 D C 2.289 178.497 176.300 -0.153 0.000 0.978 382 D CA 1.066 54.880 54.000 -0.309 0.000 0.833 382 D CB 0.100 40.660 40.800 -0.400 0.000 0.961 382 D HN 0.202 nan 8.370 nan 0.000 0.470 383 L N -0.188 120.964 121.223 -0.118 0.000 2.156 383 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 383 L C 2.390 179.241 176.870 -0.032 0.000 1.095 383 L CA 0.894 55.699 54.840 -0.059 0.000 0.770 383 L CB -0.222 41.812 42.059 -0.041 0.000 0.914 383 L HN -0.005 nan 8.230 nan 0.000 0.439 384 A N -0.273 122.526 122.820 -0.035 0.000 2.016 384 A HA 0.243 4.563 4.320 -0.000 0.000 0.217 384 A C 1.670 179.251 177.584 -0.004 0.000 1.162 384 A CA 0.920 52.952 52.037 -0.008 0.000 0.662 384 A CB -0.603 18.398 19.000 0.001 0.000 0.812 384 A HN 0.457 nan 8.150 nan 0.000 0.450 385 G N 0.511 109.296 108.800 -0.025 0.000 2.596 385 G HA2 -0.437 3.522 3.960 -0.000 0.000 0.295 385 G HA3 -0.437 3.522 3.960 -0.000 0.000 0.295 385 G C 0.977 175.880 174.900 0.006 0.000 1.240 385 G CA 1.193 46.285 45.100 -0.014 0.000 0.985 385 G HN 1.157 nan 8.290 nan 0.000 0.555 386 R N 0.377 120.890 120.500 0.022 0.000 2.293 386 R HA 0.071 4.411 4.340 -0.000 0.000 0.219 386 R C 2.459 178.786 176.300 0.044 0.000 1.091 386 R CA 2.322 58.443 56.100 0.036 0.000 1.004 386 R CB -0.462 29.865 30.300 0.045 0.000 0.865 386 R HN 0.907 nan 8.270 nan 0.000 0.469 387 S N 0.620 116.343 115.700 0.038 0.000 2.489 387 S HA -0.076 4.394 4.470 -0.000 0.000 0.228 387 S C 1.787 176.400 174.600 0.022 0.000 0.995 387 S CA 0.582 58.804 58.200 0.035 0.000 0.934 387 S CB 0.079 63.296 63.200 0.028 0.000 0.771 387 S HN 0.506 nan 8.310 nan 0.000 0.522 388 S N -0.138 115.579 115.700 0.028 0.000 2.575 388 S HA 0.339 4.809 4.470 -0.000 0.000 0.215 388 S C 1.125 175.752 174.600 0.044 0.000 0.966 388 S CA -0.074 58.148 58.200 0.037 0.000 0.911 388 S CB 0.051 63.283 63.200 0.053 0.000 0.780 388 S HN 0.415 nan 8.310 nan 0.000 0.514 389 L N -0.055 121.194 121.223 0.042 0.000 2.675 389 L HA 0.548 4.887 4.340 -0.000 0.000 0.178 389 L C 0.350 177.248 176.870 0.048 0.000 1.135 389 L CA 0.638 55.508 54.840 0.049 0.000 0.855 389 L CB 0.100 42.189 42.059 0.050 0.000 1.235 389 L HN 0.147 nan 8.230 nan 0.000 0.499 390 M N 2.414 122.048 119.600 0.057 0.000 3.436 390 M HA 0.272 4.752 4.480 -0.000 0.000 0.240 390 M C -0.765 175.582 176.300 0.079 0.000 1.469 390 M CA 0.333 55.678 55.300 0.076 0.000 1.622 390 M CB -1.176 31.480 32.600 0.094 0.000 1.098 390 M HN 0.095 nan 8.290 nan 0.000 0.568 391 I N 3.609 124.201 120.570 0.038 0.000 2.304 391 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 391 I C -1.756 174.344 176.117 -0.027 0.000 1.018 391 I CA -1.839 59.462 61.300 0.002 0.000 1.260 391 I CB 1.205 39.174 38.000 -0.052 0.000 1.390 391 I HN 0.203 nan 8.210 nan 0.000 0.475 392 P HA 0.060 nan 4.420 nan 0.000 0.267 392 P C -0.260 176.944 177.300 -0.160 0.000 1.205 392 P CA -0.197 62.784 63.100 -0.198 0.000 0.765 392 P CB 0.509 32.067 31.700 -0.237 0.000 0.828 393 S N 1.186 116.791 115.700 -0.159 0.000 2.614 393 S HA 0.121 4.591 4.470 -0.000 0.000 0.265 393 S C 1.313 175.861 174.600 -0.085 0.000 1.303 393 S CA -0.373 57.758 58.200 -0.116 0.000 1.000 393 S CB 0.901 64.055 63.200 -0.078 0.000 0.935 393 S HN 0.377 nan 8.310 nan 0.000 0.551 394 E N 1.693 121.851 120.200 -0.071 0.000 2.070 394 E HA -0.069 4.281 4.350 -0.000 0.000 0.197 394 E C 2.160 178.783 176.600 0.037 0.000 1.004 394 E CA 1.985 58.368 56.400 -0.027 0.000 0.805 394 E CB -1.119 28.555 29.700 -0.043 0.000 0.744 394 E HN 0.882 nan 8.360 nan 0.000 0.451 395 G N -0.327 108.480 108.800 0.011 0.000 2.432 395 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.219 395 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.219 395 G C 1.378 176.297 174.900 0.031 0.000 1.135 395 G CA 0.860 45.976 45.100 0.027 0.000 0.767 395 G HN 0.291 nan 8.290 nan 0.000 0.550 396 Q N -1.201 118.585 119.800 -0.024 0.000 2.137 396 Q HA -0.037 4.303 4.340 -0.000 0.000 0.198 396 Q C 2.216 178.162 176.000 -0.089 0.000 0.960 396 Q CA 0.612 56.361 55.803 -0.091 0.000 0.847 396 Q CB -0.204 28.337 28.738 -0.329 0.000 0.915 396 Q HN 0.685 nan 8.270 nan 0.000 0.448 397 W N 1.940 123.082 121.300 -0.263 0.000 2.402 397 W HA -0.142 4.517 4.660 -0.000 0.000 0.286 397 W C 0.239 176.762 176.519 0.008 0.000 1.221 397 W CA 1.268 58.536 57.345 -0.128 0.000 1.257 397 W CB 0.230 29.613 29.460 -0.130 0.000 1.120 397 W HN 0.164 nan 8.180 nan 0.000 0.551 398 D N 0.076 120.598 120.400 0.204 0.000 2.348 398 D HA -0.051 4.589 4.640 -0.000 0.000 0.211 398 D C -0.171 176.170 176.300 0.069 0.000 0.998 398 D CA 0.624 54.705 54.000 0.136 0.000 0.873 398 D CB -0.577 40.303 40.800 0.132 0.000 0.925 398 D HN 0.063 nan 8.370 nan 0.000 0.524 399 D N 0.058 120.503 120.400 0.075 0.000 2.520 399 D HA -0.039 4.600 4.640 -0.000 0.000 0.243 399 D C 1.037 177.364 176.300 0.046 0.000 1.160 399 D CA 0.269 54.314 54.000 0.074 0.000 0.877 399 D CB 0.778 41.650 40.800 0.120 0.000 1.150 399 D HN -0.236 nan 8.370 nan 0.000 0.494 400 S N 2.778 118.496 115.700 0.031 0.000 2.419 400 S HA -0.219 4.251 4.470 -0.000 0.000 0.233 400 S C 1.576 176.173 174.600 -0.005 0.000 1.016 400 S CA 0.888 59.092 58.200 0.006 0.000 0.974 400 S CB -0.075 63.130 63.200 0.008 0.000 0.786 400 S HN 0.717 nan 8.310 nan 0.000 0.492 401 Q N 0.065 119.879 119.800 0.023 0.000 2.259 401 Q HA 0.150 4.490 4.340 -0.000 0.000 0.201 401 Q C 1.278 177.302 176.000 0.040 0.000 0.938 401 Q CA 0.795 56.613 55.803 0.025 0.000 0.872 401 Q CB 0.201 28.970 28.738 0.052 0.000 0.971 401 Q HN 0.415 nan 8.270 nan 0.000 0.494 402 S N -0.876 114.886 115.700 0.102 0.000 2.559 402 S HA 0.169 4.639 4.470 -0.000 0.000 0.226 402 S C 1.385 176.088 174.600 0.172 0.000 1.030 402 S CA 0.254 58.577 58.200 0.205 0.000 0.956 402 S CB 0.928 64.289 63.200 0.269 0.000 0.900 402 S HN 0.556 nan 8.310 nan 0.000 0.510 403 G N 1.902 110.769 108.800 0.112 0.000 2.469 403 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.220 403 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.220 403 G C 1.341 176.136 174.900 -0.175 0.000 1.136 403 G CA 1.241 46.364 45.100 0.038 0.000 0.759 403 G HN 0.432 nan 8.290 nan 0.000 0.562 404 Q N -0.282 119.371 119.800 -0.245 0.000 2.226 404 Q HA -0.074 4.266 4.340 -0.000 0.000 0.204 404 Q C 2.106 177.902 176.000 -0.340 0.000 0.975 404 Q CA 1.291 56.885 55.803 -0.348 0.000 0.866 404 Q CB -0.449 28.041 28.738 -0.413 0.000 0.915 404 Q HN 0.757 nan 8.270 nan 0.000 0.440 405 W N -1.009 120.141 121.300 -0.250 0.000 2.358 405 W HA -0.103 4.557 4.660 -0.000 0.000 0.303 405 W C 1.585 177.888 176.519 -0.360 0.000 1.208 405 W CA 0.532 57.680 57.345 -0.328 0.000 1.274 405 W CB -0.279 28.907 29.460 -0.456 0.000 1.138 405 W HN 0.130 nan 8.180 nan 0.000 0.515 406 F N -0.736 119.198 119.950 -0.026 0.000 2.234 406 F HA -0.190 4.336 4.527 -0.000 0.000 0.299 406 F C 2.174 177.796 175.800 -0.296 0.000 1.087 406 F CA 0.835 58.757 58.000 -0.131 0.000 1.340 406 F CB -1.075 37.807 39.000 -0.197 0.000 1.031 406 F HN -0.343 nan 8.300 nan 0.000 0.500 407 V N 0.391 120.069 119.914 -0.394 0.000 2.407 407 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 407 V C 2.160 178.260 176.094 0.009 0.000 1.055 407 V CA 1.830 63.971 62.300 -0.263 0.000 1.049 407 V CB -0.568 31.088 31.823 -0.279 0.000 0.662 407 V HN 0.309 nan 8.190 nan 0.000 0.455 408 K N -0.259 120.138 120.400 -0.005 0.000 2.062 408 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 408 K C 2.129 178.792 176.600 0.105 0.000 1.051 408 K CA 1.098 57.417 56.287 0.052 0.000 0.941 408 K CB -0.274 32.263 32.500 0.062 0.000 0.719 408 K HN 0.338 nan 8.250 nan 0.000 0.440 409 L N 0.986 122.285 121.223 0.126 0.000 2.079 409 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 409 L C 1.132 178.115 176.870 0.189 0.000 1.081 409 L CA 1.374 56.301 54.840 0.144 0.000 0.752 409 L CB -0.319 41.831 42.059 0.152 0.000 0.896 409 L HN 0.237 nan 8.230 nan 0.000 0.433 410 N N -1.110 117.745 118.700 0.258 0.000 2.270 410 N HA 0.002 4.741 4.740 -0.000 0.000 0.198 410 N C 0.217 175.919 175.510 0.321 0.000 1.117 410 N CA -0.160 53.081 53.050 0.319 0.000 0.845 410 N CB 0.160 38.912 38.487 0.443 0.000 0.980 410 N HN 0.155 nan 8.380 nan 0.000 0.486 411 N N 0.739 119.564 118.700 0.208 0.000 2.514 411 N HA 0.292 5.032 4.740 -0.000 0.000 0.277 411 N C -0.205 175.329 175.510 0.040 0.000 1.126 411 N CA 0.288 53.415 53.050 0.129 0.000 0.978 411 N CB 1.105 39.643 38.487 0.085 0.000 1.106 411 N HN 0.213 nan 8.380 nan 0.000 0.461 412 G N 2.318 111.060 108.800 -0.096 0.000 2.921 412 G HA2 0.392 4.352 3.960 -0.000 0.000 0.291 412 G HA3 0.392 4.352 3.960 -0.000 0.000 0.291 412 G C -2.010 172.795 174.900 -0.157 0.000 1.370 412 G CA -0.748 44.263 45.100 -0.149 0.000 0.847 412 G HN 0.311 nan 8.290 nan 0.000 0.532 413 P HA -0.083 nan 4.420 nan 0.000 0.216 413 P C 1.612 178.853 177.300 -0.098 0.000 1.150 413 P CA 1.160 64.209 63.100 -0.084 0.000 0.843 413 P CB 0.272 31.936 31.700 -0.060 0.000 0.787 414 K N -1.919 118.379 120.400 -0.169 0.000 2.296 414 K HA 0.091 4.411 4.320 -0.000 0.000 0.200 414 K C 1.455 178.001 176.600 -0.089 0.000 1.048 414 K CA 1.101 57.316 56.287 -0.121 0.000 0.966 414 K CB -0.933 31.494 32.500 -0.122 0.000 0.754 414 K HN 0.247 nan 8.250 nan 0.000 0.466 415 G N 2.513 111.237 108.800 -0.127 0.000 2.225 415 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.264 415 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.264 415 G C -0.321 174.600 174.900 0.035 0.000 1.060 415 G CA -0.032 45.047 45.100 -0.037 0.000 0.833 415 G HN 0.251 nan 8.290 nan 0.000 0.498 416 N N -0.116 118.640 118.700 0.092 0.000 2.750 416 N HA 0.326 5.066 4.740 -0.000 0.000 0.253 416 N C -1.650 174.069 175.510 0.349 0.000 1.408 416 N CA -1.205 51.965 53.050 0.199 0.000 0.780 416 N CB 1.854 40.445 38.487 0.173 0.000 1.191 416 N HN -0.002 nan 8.380 nan 0.000 0.511 417 P HA -0.160 nan 4.420 nan 0.000 0.216 417 P C 1.577 179.055 177.300 0.297 0.000 1.157 417 P CA 1.045 64.393 63.100 0.414 0.000 0.880 417 P CB 0.548 32.523 31.700 0.458 0.000 0.791 418 R N 0.108 120.712 120.500 0.173 0.000 2.139 418 R HA -0.177 4.163 4.340 -0.000 0.000 0.243 418 R C 2.064 178.239 176.300 -0.208 0.000 1.145 418 R CA 1.507 57.500 56.100 -0.179 0.000 0.976 418 R CB -0.752 29.466 30.300 -0.137 0.000 0.866 418 R HN 0.414 nan 8.270 nan 0.000 0.449 419 E N -0.364 119.773 120.200 -0.105 0.000 2.110 419 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 419 E C 2.079 178.450 176.600 -0.382 0.000 0.988 419 E CA 0.869 57.151 56.400 -0.197 0.000 0.804 419 E CB -0.174 29.474 29.700 -0.088 0.000 0.745 419 E HN 0.232 nan 8.360 nan 0.000 0.458 420 R N 0.762 120.917 120.500 -0.576 0.000 2.127 420 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 420 R C 2.092 178.255 176.300 -0.227 0.000 1.134 420 R CA 1.068 56.879 56.100 -0.483 0.000 0.975 420 R CB 0.039 30.178 30.300 -0.269 0.000 0.865 420 R HN 0.037 nan 8.270 nan 0.000 0.447 421 V N 0.675 120.453 119.914 -0.227 0.000 2.488 421 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 421 V C 2.177 178.140 176.094 -0.219 0.000 1.046 421 V CA 1.525 63.689 62.300 -0.227 0.000 1.053 421 V CB -0.411 31.184 31.823 -0.379 0.000 0.679 421 V HN 0.398 nan 8.190 nan 0.000 0.458 422 Q N -0.039 119.623 119.800 -0.229 0.000 2.084 422 Q HA -0.146 4.193 4.340 -0.000 0.000 0.202 422 Q C 2.253 178.173 176.000 -0.133 0.000 0.978 422 Q CA 1.845 57.541 55.803 -0.179 0.000 0.844 422 Q CB -0.242 28.399 28.738 -0.161 0.000 0.898 422 Q HN 0.586 nan 8.270 nan 0.000 0.426 423 I N 0.148 120.638 120.570 -0.133 0.000 2.353 423 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 423 I C 2.351 178.432 176.117 -0.060 0.000 1.119 423 I CA 0.966 62.214 61.300 -0.087 0.000 1.417 423 I CB -0.630 37.313 38.000 -0.095 0.000 1.078 423 I HN 0.246 nan 8.210 nan 0.000 0.421 424 G N 0.923 109.677 108.800 -0.077 0.000 2.422 424 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.218 424 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.218 424 G C 1.849 176.723 174.900 -0.042 0.000 1.146 424 G CA 0.437 45.510 45.100 -0.044 0.000 0.769 424 G HN 0.298 nan 8.290 nan 0.000 0.547 425 R N -0.284 120.166 120.500 -0.083 0.000 2.115 425 R HA 0.027 4.367 4.340 -0.000 0.000 0.226 425 R C 2.775 179.042 176.300 -0.056 0.000 1.100 425 R CA 1.190 57.230 56.100 -0.101 0.000 0.980 425 R CB -0.271 29.934 30.300 -0.159 0.000 0.875 425 R HN 0.422 nan 8.270 nan 0.000 0.445 426 V N -0.993 118.898 119.914 -0.038 0.000 2.488 426 V HA -0.065 4.054 4.120 -0.000 0.000 0.246 426 V C 1.853 177.969 176.094 0.038 0.000 1.046 426 V CA 1.256 63.551 62.300 -0.009 0.000 1.053 426 V CB -0.300 31.517 31.823 -0.011 0.000 0.679 426 V HN 0.169 nan 8.190 nan 0.000 0.458 427 I N 0.425 121.032 120.570 0.062 0.000 2.226 427 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 427 I C 2.979 179.189 176.117 0.154 0.000 1.100 427 I CA 2.213 63.597 61.300 0.140 0.000 1.374 427 I CB -0.568 37.506 38.000 0.124 0.000 1.057 427 I HN 0.319 nan 8.210 nan 0.000 0.413 428 R N 1.109 121.669 120.500 0.101 0.000 2.081 428 R HA -0.211 4.129 4.340 -0.000 0.000 0.235 428 R C 1.757 178.141 176.300 0.139 0.000 1.131 428 R CA 2.161 58.331 56.100 0.117 0.000 0.960 428 R CB -0.305 30.039 30.300 0.073 0.000 0.856 428 R HN 0.264 nan 8.270 nan 0.000 0.436 429 D N 0.471 120.942 120.400 0.118 0.000 2.144 429 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 429 D C 1.829 178.256 176.300 0.212 0.000 0.984 429 D CA 0.743 54.833 54.000 0.150 0.000 0.834 429 D CB -0.040 40.776 40.800 0.027 0.000 0.955 429 D HN 0.125 nan 8.370 nan 0.000 0.465 430 L N -0.901 120.348 121.223 0.042 0.000 2.056 430 L HA -0.106 4.233 4.340 -0.000 0.000 0.207 430 L C 1.270 177.783 176.870 -0.596 0.000 1.078 430 L CA 1.683 56.329 54.840 -0.324 0.000 0.749 430 L CB -0.583 41.126 42.059 -0.584 0.000 0.901 430 L HN 0.210 nan 8.230 nan 0.000 0.433 431 Y N -3.182 117.200 120.300 0.136 0.000 2.563 431 Y HA 0.311 4.861 4.550 -0.000 0.000 0.250 431 Y C 1.193 177.188 175.900 0.158 0.000 1.126 431 Y CA -0.226 57.964 58.100 0.150 0.000 1.231 431 Y CB 0.645 39.219 38.460 0.191 0.000 1.288 431 Y HN -0.127 nan 8.280 nan 0.000 0.537 432 L N 0.447 121.810 121.223 0.233 0.000 3.229 432 L HA 0.260 4.599 4.340 -0.000 0.000 0.286 432 L C 0.226 177.192 176.870 0.160 0.000 1.239 432 L CA -0.067 54.890 54.840 0.196 0.000 1.035 432 L CB 0.636 42.799 42.059 0.173 0.000 1.408 432 L HN 0.077 nan 8.230 nan 0.000 0.593 433 T N -5.705 108.941 114.554 0.153 0.000 2.926 433 T HA 0.285 4.635 4.350 -0.000 0.000 0.289 433 T C 0.552 175.323 174.700 0.119 0.000 1.054 433 T CA -0.497 61.684 62.100 0.134 0.000 1.015 433 T CB 1.904 70.860 68.868 0.148 0.000 1.167 433 T HN 0.088 nan 8.240 nan 0.000 0.526 434 D N -0.582 119.882 120.400 0.106 0.000 2.178 434 D HA -0.085 4.555 4.640 -0.000 0.000 0.202 434 D C 1.497 177.845 176.300 0.080 0.000 0.974 434 D CA 0.532 54.583 54.000 0.084 0.000 0.841 434 D CB -0.428 40.419 40.800 0.078 0.000 0.953 434 D HN 0.684 nan 8.370 nan 0.000 0.478 435 W N 2.078 123.337 121.300 -0.068 0.000 2.338 435 W HA -0.016 4.643 4.660 -0.001 0.000 0.304 435 W C 2.375 178.812 176.519 -0.136 0.000 1.212 435 W CA 2.497 59.789 57.345 -0.088 0.000 1.264 435 W CB -0.418 28.992 29.460 -0.084 0.000 1.142 435 W HN 0.032 nan 8.180 nan 0.000 0.512 436 G N -0.186 108.605 108.800 -0.016 0.000 2.403 436 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.216 436 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.216 436 G C 1.659 176.242 174.900 -0.528 0.000 1.154 436 G CA 0.855 45.757 45.100 -0.331 0.000 0.784 436 G HN 0.493 nan 8.290 nan 0.000 0.538 437 G N 0.280 108.882 108.800 -0.330 0.000 2.443 437 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.219 437 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.219 437 G C 1.808 176.518 174.900 -0.316 0.000 1.131 437 G CA 0.657 45.535 45.100 -0.371 0.000 0.775 437 G HN 0.292 nan 8.290 nan 0.000 0.547 438 R N 1.150 121.506 120.500 -0.240 0.000 2.139 438 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 438 R C 2.679 178.963 176.300 -0.028 0.000 1.145 438 R CA 1.919 57.941 56.100 -0.130 0.000 0.976 438 R CB -0.492 29.665 30.300 -0.239 0.000 0.866 438 R HN 0.745 nan 8.270 nan 0.000 0.449 439 Q N -1.214 118.440 119.800 -0.244 0.000 2.364 439 Q HA -0.123 4.216 4.340 -0.000 0.000 0.207 439 Q C 1.594 177.715 176.000 0.202 0.000 0.970 439 Q CA 1.306 57.114 55.803 0.009 0.000 0.888 439 Q CB -0.367 28.238 28.738 -0.221 0.000 0.951 439 Q HN 0.425 nan 8.270 nan 0.000 0.469 440 F N -0.213 119.851 119.950 0.191 0.000 2.293 440 F HA 0.027 4.553 4.527 -0.000 0.000 0.297 440 F C 2.146 178.017 175.800 0.119 0.000 1.089 440 F CA 0.055 58.142 58.000 0.145 0.000 1.377 440 F CB 0.143 39.211 39.000 0.114 0.000 1.051 440 F HN 0.104 nan 8.300 nan 0.000 0.511 441 M N -0.698 119.100 119.600 0.331 0.000 2.615 441 M HA 0.070 4.550 4.480 -0.000 0.000 0.262 441 M C 2.007 178.486 176.300 0.299 0.000 1.198 441 M CA 0.691 56.155 55.300 0.273 0.000 1.165 441 M CB -1.192 31.561 32.600 0.255 0.000 1.310 441 M HN 0.245 nan 8.290 nan 0.000 0.494 442 F N 1.140 121.206 119.950 0.193 0.000 2.451 442 F HA 0.014 4.540 4.527 -0.001 0.000 0.299 442 F C 1.228 177.245 175.800 0.360 0.000 1.101 442 F CA 1.206 59.357 58.000 0.252 0.000 1.436 442 F CB -0.625 38.452 39.000 0.128 0.000 1.074 442 F HN 0.185 nan 8.300 nan 0.000 0.553 443 E N -0.652 119.256 120.200 -0.486 0.000 2.601 443 E HA 0.071 4.421 4.350 -0.000 0.000 0.219 443 E C -0.003 176.383 176.600 -0.357 0.000 0.964 443 E CA -0.050 56.073 56.400 -0.461 0.000 1.050 443 E CB 0.101 29.379 29.700 -0.702 0.000 1.068 443 E HN 0.250 nan 8.360 nan 0.000 0.496 444 N N 0.026 118.583 118.700 -0.237 0.000 2.588 444 N HA 0.063 4.803 4.740 -0.000 0.000 0.298 444 N C -0.138 175.291 175.510 -0.135 0.000 1.718 444 N CA -0.255 52.665 53.050 -0.217 0.000 0.888 444 N CB -0.025 38.418 38.487 -0.073 0.000 1.389 444 N HN 0.068 nan 8.380 nan 0.000 0.491 445 F N -2.008 117.954 119.950 0.020 0.000 2.811 445 F HA 0.439 4.966 4.527 -0.001 0.000 0.301 445 F C 0.441 176.260 175.800 0.032 0.000 1.151 445 F CA -0.577 57.447 58.000 0.041 0.000 1.412 445 F CB -0.330 38.706 39.000 0.060 0.000 1.113 445 F HN -0.083 nan 8.300 nan 0.000 0.579 446 N N -0.324 118.310 118.700 -0.109 0.000 2.823 446 N HA 0.546 5.286 4.740 -0.000 0.000 0.324 446 N C -0.279 175.224 175.510 -0.012 0.000 1.336 446 N CA -0.739 52.309 53.050 -0.004 0.000 0.861 446 N CB 0.500 38.949 38.487 -0.063 0.000 1.157 446 N HN 0.112 nan 8.380 nan 0.000 0.585 447 G N -0.419 108.386 108.800 0.008 0.000 2.404 447 G HA2 0.414 4.374 3.960 -0.000 0.000 0.316 447 G HA3 0.414 4.374 3.960 -0.000 0.000 0.316 447 G C -0.926 173.995 174.900 0.034 0.000 1.074 447 G CA -0.082 45.032 45.100 0.023 0.000 0.989 447 G HN 0.472 nan 8.290 nan 0.000 0.430 448 T N 2.955 117.516 114.554 0.013 0.000 1.884 448 T HA -0.130 4.220 4.350 -0.000 0.000 0.603 448 T C -1.561 173.150 174.700 0.019 0.000 0.914 448 T CA 0.126 62.244 62.100 0.029 0.000 3.205 448 T CB -0.288 68.627 68.868 0.078 0.000 1.886 448 T HN 0.500 nan 8.240 nan 0.000 0.439 449 P HA -0.048 nan 4.420 nan 0.000 0.215 449 P C 1.758 179.006 177.300 -0.087 0.000 1.153 449 P CA 0.272 63.325 63.100 -0.078 0.000 0.853 449 P CB 0.106 31.765 31.700 -0.070 0.000 0.788 450 L N -1.189 120.016 121.223 -0.030 0.000 1.994 450 L HA -0.118 4.221 4.340 -0.000 0.000 0.208 450 L C 2.322 179.199 176.870 0.010 0.000 1.071 450 L CA 1.808 56.630 54.840 -0.030 0.000 0.745 450 L CB -1.573 40.518 42.059 0.053 0.000 0.892 450 L HN -0.121 nan 8.230 nan 0.000 0.431 451 F N -0.076 119.861 119.950 -0.022 0.000 2.146 451 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 451 F C 2.283 178.101 175.800 0.029 0.000 1.096 451 F CA 1.495 59.530 58.000 0.059 0.000 1.275 451 F CB -0.350 38.680 39.000 0.050 0.000 1.008 451 F HN 0.165 nan 8.300 nan 0.000 0.480 452 A N 0.077 122.834 122.820 -0.105 0.000 1.892 452 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 452 A C 2.258 179.661 177.584 -0.301 0.000 1.188 452 A CA 2.261 54.164 52.037 -0.224 0.000 0.631 452 A CB -1.450 17.470 19.000 -0.133 0.000 0.822 452 A HN 0.292 nan 8.150 nan 0.000 0.447 453 V N -1.452 118.281 119.914 -0.303 0.000 2.407 453 V HA -0.211 3.908 4.120 -0.000 0.000 0.248 453 V C 2.264 178.140 176.094 -0.364 0.000 1.055 453 V CA 2.057 64.119 62.300 -0.397 0.000 1.049 453 V CB -0.871 30.594 31.823 -0.597 0.000 0.662 453 V HN 0.619 nan 8.190 nan 0.000 0.455 454 F N 1.510 121.180 119.950 -0.467 0.000 2.146 454 F HA -0.063 4.463 4.527 -0.000 0.000 0.298 454 F C 2.278 177.908 175.800 -0.284 0.000 1.096 454 F CA 1.178 59.037 58.000 -0.234 0.000 1.275 454 F CB -0.671 38.302 39.000 -0.046 0.000 1.008 454 F HN 0.079 nan 8.300 nan 0.000 0.480 455 A N 0.224 122.677 122.820 -0.613 0.000 1.933 455 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 455 A C 2.405 179.752 177.584 -0.396 0.000 1.175 455 A CA 1.746 53.400 52.037 -0.639 0.000 0.628 455 A CB -1.485 17.041 19.000 -0.789 0.000 0.814 455 A HN 0.463 nan 8.150 nan 0.000 0.444 456 A N -0.262 122.368 122.820 -0.317 0.000 1.930 456 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 456 A C 2.425 179.895 177.584 -0.191 0.000 1.175 456 A CA 2.342 54.253 52.037 -0.209 0.000 0.627 456 A CB -1.288 17.610 19.000 -0.170 0.000 0.815 456 A HN 0.735 nan 8.150 nan 0.000 0.443 457 T N -0.949 113.484 114.554 -0.203 0.000 2.821 457 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 457 T C 1.822 176.415 174.700 -0.179 0.000 1.046 457 T CA 1.591 63.609 62.100 -0.136 0.000 1.139 457 T CB -0.689 68.184 68.868 0.009 0.000 0.871 457 T HN 0.603 nan 8.240 nan 0.000 0.454 458 M N 1.866 121.284 119.600 -0.302 0.000 2.630 458 M HA 0.141 4.621 4.480 -0.000 0.000 0.254 458 M C 2.014 178.200 176.300 -0.189 0.000 1.092 458 M CA 1.419 56.554 55.300 -0.274 0.000 1.087 458 M CB -0.989 31.362 32.600 -0.415 0.000 1.453 458 M HN 0.349 nan 8.290 nan 0.000 0.509 459 T N -2.222 112.225 114.554 -0.178 0.000 3.107 459 T HA 0.227 4.577 4.350 -0.000 0.000 0.249 459 T C 1.638 176.254 174.700 -0.141 0.000 1.096 459 T CA -0.037 61.977 62.100 -0.143 0.000 1.012 459 T CB 0.087 68.878 68.868 -0.128 0.000 0.977 459 T HN 0.570 nan 8.240 nan 0.000 0.527 460 R N 0.769 121.185 120.500 -0.141 0.000 2.310 460 R HA 0.291 4.631 4.340 -0.000 0.000 0.199 460 R C -0.460 175.758 176.300 -0.136 0.000 0.891 460 R CA 0.539 56.552 56.100 -0.145 0.000 1.060 460 R CB 0.437 30.651 30.300 -0.143 0.000 1.188 460 R HN 0.556 nan 8.270 nan 0.000 0.607 461 D N -1.122 119.210 120.400 -0.113 0.000 2.626 461 D HA 0.071 4.711 4.640 -0.000 0.000 0.278 461 D C -1.309 174.955 176.300 -0.061 0.000 1.211 461 D CA -0.828 53.119 54.000 -0.088 0.000 0.903 461 D CB 0.446 41.198 40.800 -0.080 0.000 1.408 461 D HN -0.314 nan 8.370 nan 0.000 0.454 462 D N 0.327 120.709 120.400 -0.030 0.000 2.365 462 D HA 0.165 4.804 4.640 -0.000 0.000 0.237 462 D C -0.025 176.315 176.300 0.067 0.000 1.190 462 D CA -0.260 53.742 54.000 0.002 0.000 0.867 462 D CB 0.627 41.433 40.800 0.011 0.000 1.050 462 D HN 0.250 nan 8.370 nan 0.000 0.491 463 M N 2.127 121.763 119.600 0.060 0.000 2.637 463 M HA 0.060 4.540 4.480 -0.000 0.000 0.286 463 M C 0.565 176.971 176.300 0.176 0.000 1.246 463 M CA -0.176 55.223 55.300 0.165 0.000 0.978 463 M CB -0.953 31.695 32.600 0.080 0.000 1.417 463 M HN 0.277 nan 8.290 nan 0.000 0.487 464 S N -0.341 115.440 115.700 0.135 0.000 2.745 464 S HA 0.692 5.161 4.470 -0.000 0.000 0.292 464 S C 1.290 175.989 174.600 0.165 0.000 1.127 464 S CA -0.126 58.149 58.200 0.126 0.000 1.007 464 S CB 1.391 64.635 63.200 0.074 0.000 1.165 464 S HN 0.269 nan 8.310 nan 0.000 0.544 465 A N -0.072 122.835 122.820 0.145 0.000 2.121 465 A HA 0.319 4.639 4.320 -0.000 0.000 0.218 465 A C 2.077 179.815 177.584 0.258 0.000 1.154 465 A CA 1.357 53.507 52.037 0.188 0.000 0.679 465 A CB -1.410 17.673 19.000 0.137 0.000 0.795 465 A HN 1.260 nan 8.150 nan 0.000 0.458 466 A N -0.515 122.392 122.820 0.146 0.000 2.169 466 A HA 0.456 4.775 4.320 -0.000 0.000 0.212 466 A C 1.466 179.137 177.584 0.144 0.000 1.153 466 A CA 0.823 52.887 52.037 0.044 0.000 0.756 466 A CB -0.624 18.348 19.000 -0.046 0.000 0.813 466 A HN 0.620 nan 8.150 nan 0.000 0.471 467 G N -1.343 107.584 108.800 0.211 0.000 2.525 467 G HA2 0.327 4.286 3.960 -0.000 0.000 0.287 467 G HA3 0.327 4.286 3.960 -0.000 0.000 0.287 467 G C 1.166 176.214 174.900 0.246 0.000 1.350 467 G CA 0.550 45.765 45.100 0.191 0.000 1.039 467 G HN 0.445 nan 8.290 nan 0.000 0.513 468 T N -2.976 111.621 114.554 0.072 0.000 2.897 468 T HA -0.185 4.164 4.350 -0.000 0.000 0.271 468 T C 1.717 176.320 174.700 -0.163 0.000 1.084 468 T CA 1.522 63.574 62.100 -0.081 0.000 1.123 468 T CB -0.438 68.287 68.868 -0.239 0.000 0.865 468 T HN 0.434 nan 8.240 nan 0.000 0.496 469 Y N 1.244 121.564 120.300 0.035 0.000 2.561 469 Y HA 0.318 4.868 4.550 -0.000 0.000 0.291 469 Y C 2.670 178.570 175.900 -0.002 0.000 1.141 469 Y CA 0.121 58.231 58.100 0.016 0.000 1.303 469 Y CB -0.089 38.394 38.460 0.039 0.000 1.015 469 Y HN 0.406 nan 8.280 nan 0.000 0.547 470 G N -0.398 108.485 108.800 0.139 0.000 2.683 470 G HA2 -0.123 3.836 3.960 -0.000 0.000 0.213 470 G HA3 -0.123 3.836 3.960 -0.000 0.000 0.213 470 G C 1.576 176.327 174.900 -0.248 0.000 1.142 470 G CA 0.103 45.265 45.100 0.104 0.000 0.793 470 G HN 0.252 nan 8.290 nan 0.000 0.534 471 K N 0.053 119.997 120.400 -0.760 0.000 2.002 471 K HA -0.051 4.269 4.320 -0.000 0.000 0.209 471 K C 2.004 178.397 176.600 -0.345 0.000 1.048 471 K CA 1.017 56.585 56.287 -1.198 0.000 0.930 471 K CB -0.370 31.471 32.500 -1.098 0.000 0.714 471 K HN 0.306 nan 8.250 nan 0.000 0.438 472 F N 0.711 120.480 119.950 -0.301 0.000 2.146 472 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 472 F C 2.107 177.846 175.800 -0.101 0.000 1.096 472 F CA 0.930 58.833 58.000 -0.161 0.000 1.275 472 F CB -0.019 38.916 39.000 -0.108 0.000 1.008 472 F HN 0.175 nan 8.300 nan 0.000 0.480 473 A N -0.476 122.253 122.820 -0.151 0.000 1.898 473 A HA -0.143 4.176 4.320 -0.000 0.000 0.216 473 A C 2.249 179.762 177.584 -0.118 0.000 1.181 473 A CA 1.795 53.703 52.037 -0.215 0.000 0.620 473 A CB -1.090 17.841 19.000 -0.114 0.000 0.819 473 A HN 0.426 nan 8.150 nan 0.000 0.442 474 S N -0.590 115.081 115.700 -0.048 0.000 2.353 474 S HA -0.260 4.209 4.470 -0.000 0.000 0.222 474 S C 2.193 176.798 174.600 0.010 0.000 1.035 474 S CA 1.598 59.810 58.200 0.020 0.000 1.025 474 S CB -0.408 62.864 63.200 0.120 0.000 0.902 474 S HN 0.738 nan 8.310 nan 0.000 0.440 475 Q N 0.811 120.614 119.800 0.004 0.000 2.045 475 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 475 Q C 2.086 178.083 176.000 -0.005 0.000 0.991 475 Q CA 1.950 57.771 55.803 0.030 0.000 0.851 475 Q CB -0.313 28.473 28.738 0.080 0.000 0.911 475 Q HN 0.398 nan 8.270 nan 0.000 0.418 476 V N 0.244 120.111 119.914 -0.078 0.000 2.490 476 V HA -0.273 3.847 4.120 -0.000 0.000 0.250 476 V C 2.181 178.227 176.094 -0.079 0.000 1.061 476 V CA 1.541 63.769 62.300 -0.120 0.000 1.064 476 V CB -0.373 31.274 31.823 -0.293 0.000 0.670 476 V HN 0.545 nan 8.190 nan 0.000 0.461 477 C N 0.353 119.614 119.300 -0.065 0.000 2.697 477 C HA 0.457 4.916 4.460 -0.000 0.000 0.267 477 C C 1.876 176.858 174.990 -0.013 0.000 1.278 477 C CA 0.081 59.076 59.018 -0.039 0.000 1.708 477 C CB -1.100 26.620 27.740 -0.034 0.000 1.860 477 C HN 0.816 nan 8.230 nan 0.000 0.589 478 G N 1.458 110.257 108.800 -0.002 0.000 2.198 478 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.257 478 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.257 478 G C -0.196 174.718 174.900 0.024 0.000 1.042 478 G CA -0.021 45.086 45.100 0.012 0.000 0.791 478 G HN 0.583 nan 8.290 nan 0.000 0.502 479 I N 0.115 120.706 120.570 0.035 0.000 2.412 479 I HA 0.311 4.481 4.170 -0.000 0.000 0.296 479 I C 0.761 176.930 176.117 0.086 0.000 0.987 479 I CA -0.863 60.468 61.300 0.052 0.000 1.180 479 I CB 1.616 39.648 38.000 0.053 0.000 1.340 479 I HN 0.125 nan 8.210 nan 0.000 0.455 480 E N 4.913 125.160 120.200 0.078 0.000 2.384 480 E HA 0.064 4.414 4.350 -0.000 0.000 0.266 480 E C -1.579 175.115 176.600 0.157 0.000 1.012 480 E CA 0.070 56.528 56.400 0.096 0.000 0.901 480 E CB 0.864 30.593 29.700 0.049 0.000 0.967 480 E HN 0.341 nan 8.360 nan 0.000 0.435 481 F N 2.808 122.767 119.950 0.015 0.000 2.482 481 F HA 0.628 5.155 4.527 -0.000 0.000 0.331 481 F C 0.001 175.808 175.800 0.011 0.000 1.115 481 F CA 0.104 58.114 58.000 0.017 0.000 0.955 481 F CB 1.641 40.657 39.000 0.026 0.000 1.136 481 F HN 0.467 nan 8.300 nan 0.000 0.452 482 G N 0.000 108.311 108.800 -0.814 0.000 5.446 482 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 482 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 482 G CA 0.000 44.733 45.100 -0.612 0.000 0.502 482 G HN 0.000 nan 8.290 nan 0.000 0.925