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 2wid_1_A DATA FIRST_RESID 3 DATA SEQUENCE DIIIATKNGK VRGMQLTVFG GTVTAFLGIP YAQPPLGRLR FKKPQSLTKW DATA SEQUENCE TDIWNATKYA NScCQNIDQS FPGFHGSEMW NPNTDLSEDc LYLNVWIPAP DATA SEQUENCE KPKNATVLIW IYGGGFQTGT SSLHVYDGKF LARVERVIVV SMNYRVGALG DATA SEQUENCE FLALPGNPEA PGNMGLFDQQ LALQWVQKNI AAFGGNPKSV TLFGESAGAA DATA SEQUENCE SVSLHLLSPG SHSLFTRAIL QSGSFNAPWA VTSLYEARNR TLNLAKLTGc DATA SEQUENCE SRENETEIIK cLRNKDPQEI LLNEAFVVPY GTPLSVNFGP TVDGDFLTDM DATA SEQUENCE PDILLELGQF KKTQILVGVN KDEGTAFLVY GAPGFSKDNN SIITRKEFQE DATA SEQUENCE GLKIFFPGVS EFGKESILFH YTDWVDDQRP ENYREALGDV VGDYNFIcPA DATA SEQUENCE LEFTKKFSEW GNNAFFYYFE HRSSKLPWPE WMGVMHGYEI EFVFGLPLER DATA SEQUENCE RDQYTKAEEI LSRSIVKRWA NFAKYGNPQE TQNNSTSWPV FKSTEQKYLT DATA SEQUENCE LNTESTRIMT KLRAQQcRFW TSFFPKV 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.316 176.300 0.027 0.000 2.045 3 D CA 0.000 54.005 54.000 0.008 0.000 0.868 3 D CB 0.000 40.809 40.800 0.014 0.000 0.688 4 I N 3.051 123.640 120.570 0.032 0.000 2.420 4 I HA 0.507 4.674 4.170 -0.006 0.000 0.282 4 I C -0.349 175.874 176.117 0.175 0.000 1.019 4 I CA -0.724 60.630 61.300 0.091 0.000 1.130 4 I CB 1.099 39.156 38.000 0.095 0.000 1.262 4 I HN 0.190 nan 8.210 nan 0.000 0.454 5 I N 6.756 127.420 120.570 0.157 0.000 2.433 5 I HA 0.496 4.663 4.170 -0.006 0.000 0.292 5 I C -0.495 175.682 176.117 0.100 0.000 1.001 5 I CA -0.368 61.039 61.300 0.178 0.000 1.119 5 I CB 1.562 39.637 38.000 0.125 0.000 1.289 5 I HN 0.309 nan 8.210 nan 0.000 0.438 6 I N 5.071 125.676 120.570 0.059 0.000 2.433 6 I HA 0.538 4.705 4.170 -0.006 0.000 0.292 6 I C 0.175 176.200 176.117 -0.152 0.000 1.001 6 I CA -0.817 60.353 61.300 -0.217 0.000 1.119 6 I CB 1.778 39.314 38.000 -0.773 0.000 1.289 6 I HN 0.583 nan 8.210 nan 0.000 0.438 7 A N 4.884 127.604 122.820 -0.167 0.000 2.302 7 A HA 0.570 4.886 4.320 -0.006 0.000 0.295 7 A C 0.485 177.971 177.584 -0.164 0.000 1.235 7 A CA -0.293 51.672 52.037 -0.121 0.000 0.876 7 A CB 0.127 19.067 19.000 -0.101 0.000 1.133 7 A HN 0.805 nan 8.150 nan 0.000 0.533 8 T N 0.145 114.632 114.554 -0.112 0.000 2.912 8 T HA 0.346 4.693 4.350 -0.006 0.000 0.280 8 T C 0.917 175.504 174.700 -0.188 0.000 0.989 8 T CA -0.720 61.309 62.100 -0.118 0.000 0.995 8 T CB 0.811 69.710 68.868 0.050 0.000 1.077 8 T HN 0.469 nan 8.240 nan 0.000 0.531 9 K N 0.980 121.260 120.400 -0.201 0.000 2.218 9 K HA -0.077 4.239 4.320 -0.006 0.000 0.205 9 K C 1.392 177.856 176.600 -0.226 0.000 1.046 9 K CA 1.189 57.364 56.287 -0.187 0.000 0.933 9 K CB -0.321 32.078 32.500 -0.169 0.000 0.728 9 K HN 0.580 nan 8.250 nan 0.000 0.454 10 N N -0.177 118.340 118.700 -0.306 0.000 2.282 10 N HA 0.053 4.790 4.740 -0.006 0.000 0.185 10 N C 0.702 175.547 175.510 -1.107 0.000 1.099 10 N CA 0.575 53.323 53.050 -0.503 0.000 0.878 10 N CB 1.382 39.674 38.487 -0.325 0.000 0.993 10 N HN 0.212 nan 8.380 nan 0.000 0.481 11 G N 0.401 108.602 108.800 -0.998 0.000 2.350 11 G HA2 0.022 3.978 3.960 -0.006 0.000 0.304 11 G HA3 0.022 3.978 3.960 -0.006 0.000 0.304 11 G C -1.565 173.125 174.900 -0.350 0.000 1.421 11 G CA -0.889 43.534 45.100 -1.128 0.000 0.934 11 G HN -0.103 nan 8.290 nan 0.000 0.632 12 K N -0.400 120.009 120.400 0.016 0.000 2.270 12 K HA 0.516 4.832 4.320 -0.006 0.000 0.276 12 K C 0.309 177.259 176.600 0.582 0.000 1.023 12 K CA -0.318 56.117 56.287 0.247 0.000 0.955 12 K CB 1.689 34.315 32.500 0.211 0.000 0.975 12 K HN 0.994 nan 8.250 nan 0.000 0.471 13 V N 0.194 120.396 119.914 0.480 0.000 2.656 13 V HA 0.511 4.627 4.120 -0.006 0.000 0.307 13 V C -0.611 175.803 176.094 0.534 0.000 1.051 13 V CA -1.146 61.515 62.300 0.601 0.000 0.893 13 V CB 1.693 33.901 31.823 0.642 0.000 0.999 13 V HN 0.802 nan 8.190 nan 0.000 0.426 14 R N 2.856 123.632 120.500 0.459 0.000 2.312 14 R HA 0.748 5.084 4.340 -0.006 0.000 0.311 14 R C 0.246 176.654 176.300 0.181 0.000 1.004 14 R CA 0.230 56.517 56.100 0.312 0.000 0.902 14 R CB 1.507 31.901 30.300 0.156 0.000 1.073 14 R HN 1.138 nan 8.270 nan 0.000 0.457 15 G N 3.134 111.808 108.800 -0.210 0.000 2.938 15 G HA2 0.540 4.496 3.960 -0.006 0.000 0.258 15 G HA3 0.540 4.496 3.960 -0.006 0.000 0.258 15 G C -0.656 173.955 174.900 -0.482 0.000 1.356 15 G CA -0.852 43.728 45.100 -0.866 0.000 1.052 15 G HN 0.668 nan 8.290 nan 0.000 0.550 16 M N -1.159 118.152 119.600 -0.482 0.000 2.593 16 M HA 0.585 5.061 4.480 -0.006 0.000 0.290 16 M C -1.580 174.591 176.300 -0.215 0.000 1.244 16 M CA -0.925 54.216 55.300 -0.265 0.000 0.857 16 M CB 2.512 34.989 32.600 -0.203 0.000 1.738 16 M HN 0.301 nan 8.290 nan 0.000 0.461 17 Q N 2.565 122.287 119.800 -0.131 0.000 2.245 17 Q HA 0.745 5.081 4.340 -0.006 0.000 0.256 17 Q C -1.398 174.563 176.000 -0.065 0.000 0.942 17 Q CA -0.561 55.192 55.803 -0.083 0.000 0.896 17 Q CB 2.791 31.497 28.738 -0.054 0.000 1.272 17 Q HN 0.792 nan 8.270 nan 0.000 0.442 18 L N 0.640 121.836 121.223 -0.045 0.000 2.401 18 L HA 0.496 4.832 4.340 -0.006 0.000 0.266 18 L C -0.170 176.670 176.870 -0.051 0.000 0.991 18 L CA -0.788 54.022 54.840 -0.051 0.000 0.818 18 L CB 2.338 44.366 42.059 -0.051 0.000 1.321 18 L HN 0.421 nan 8.230 nan 0.000 0.413 19 T N 2.085 116.604 114.554 -0.057 0.000 2.767 19 T HA 0.565 4.911 4.350 -0.006 0.000 0.288 19 T C -0.442 174.196 174.700 -0.103 0.000 0.963 19 T CA -0.259 61.811 62.100 -0.051 0.000 1.019 19 T CB 1.103 69.956 68.868 -0.025 0.000 0.923 19 T HN 0.264 nan 8.240 nan 0.000 0.468 20 V N 4.881 124.720 119.914 -0.125 0.000 2.532 20 V HA 0.361 4.477 4.120 -0.006 0.000 0.294 20 V C -0.307 175.682 176.094 -0.175 0.000 1.036 20 V CA -1.122 60.997 62.300 -0.302 0.000 0.876 20 V CB 0.593 32.172 31.823 -0.407 0.000 1.012 20 V HN 1.083 nan 8.190 nan 0.000 0.432 21 F N 3.093 123.089 119.950 0.076 0.000 2.943 21 F HA -0.231 4.293 4.527 -0.006 0.000 0.258 21 F C 1.645 177.472 175.800 0.045 0.000 0.995 21 F CA 0.737 58.776 58.000 0.065 0.000 0.896 21 F CB -1.109 37.935 39.000 0.073 0.000 0.821 21 F HN 1.051 nan 8.300 nan 0.000 0.828 22 G N -0.170 108.731 108.800 0.168 0.000 2.225 22 G HA2 0.011 3.968 3.960 -0.006 0.000 0.267 22 G HA3 0.011 3.968 3.960 -0.006 0.000 0.267 22 G C 0.478 175.431 174.900 0.088 0.000 1.024 22 G CA 0.315 45.479 45.100 0.107 0.000 0.784 22 G HN 1.452 nan 8.290 nan 0.000 0.507 23 G N -2.349 106.497 108.800 0.078 0.000 3.086 23 G HA2 0.816 4.772 3.960 -0.006 0.000 0.282 23 G HA3 0.816 4.772 3.960 -0.006 0.000 0.282 23 G C -0.870 174.048 174.900 0.029 0.000 1.343 23 G CA 0.305 45.441 45.100 0.061 0.000 0.895 23 G HN 0.699 nan 8.290 nan 0.000 0.557 24 T N -0.176 114.397 114.554 0.031 0.000 2.861 24 T HA 0.586 4.932 4.350 -0.006 0.000 0.287 24 T C -0.861 173.858 174.700 0.032 0.000 1.003 24 T CA -0.263 61.848 62.100 0.018 0.000 0.977 24 T CB 1.851 70.732 68.868 0.022 0.000 0.996 24 T HN 0.394 nan 8.240 nan 0.000 0.448 25 V N 2.971 122.899 119.914 0.023 0.000 2.555 25 V HA 0.502 4.619 4.120 -0.006 0.000 0.302 25 V C 0.195 176.330 176.094 0.069 0.000 1.038 25 V CA -0.776 61.566 62.300 0.069 0.000 0.887 25 V CB 2.120 33.984 31.823 0.067 0.000 0.991 25 V HN 0.993 nan 8.190 nan 0.000 0.434 26 T N 4.124 118.742 114.554 0.106 0.000 2.771 26 T HA 0.669 5.015 4.350 -0.006 0.000 0.291 26 T C 0.026 174.744 174.700 0.030 0.000 0.954 26 T CA -0.218 61.897 62.100 0.025 0.000 1.045 26 T CB 1.330 70.244 68.868 0.076 0.000 0.917 26 T HN 0.922 nan 8.240 nan 0.000 0.484 27 A N 3.086 125.785 122.820 -0.201 0.000 2.318 27 A HA 0.768 5.085 4.320 -0.006 0.000 0.317 27 A C -1.002 176.306 177.584 -0.460 0.000 1.159 27 A CA -0.715 51.128 52.037 -0.324 0.000 0.799 27 A CB 0.437 19.240 19.000 -0.329 0.000 1.194 27 A HN 0.739 nan 8.150 nan 0.000 0.479 28 F N 3.027 122.816 119.950 -0.268 0.000 2.359 28 F HA 0.414 4.937 4.527 -0.006 0.000 0.369 28 F C -0.165 175.463 175.800 -0.287 0.000 1.084 28 F CA -0.404 57.515 58.000 -0.135 0.000 1.096 28 F CB 1.192 40.230 39.000 0.063 0.000 1.335 28 F HN 0.352 nan 8.300 nan 0.000 0.457 29 L N 2.657 123.767 121.223 -0.189 0.000 2.289 29 L HA 0.661 4.998 4.340 -0.006 0.000 0.285 29 L C 0.906 177.748 176.870 -0.047 0.000 1.049 29 L CA -0.791 53.884 54.840 -0.275 0.000 0.804 29 L CB 1.292 43.037 42.059 -0.524 0.000 1.195 29 L HN 0.851 nan 8.230 nan 0.000 0.428 30 G N 3.566 112.384 108.800 0.029 0.000 2.248 30 G HA2 -0.220 3.737 3.960 -0.006 0.000 0.252 30 G HA3 -0.220 3.737 3.960 -0.006 0.000 0.252 30 G C -0.148 174.883 174.900 0.219 0.000 1.085 30 G CA -0.538 44.639 45.100 0.127 0.000 0.845 30 G HN 0.510 nan 8.290 nan 0.000 0.494 31 I N 1.664 122.257 120.570 0.038 0.000 2.496 31 I HA 0.255 4.421 4.170 -0.006 0.000 0.285 31 I C -1.426 174.534 176.117 -0.262 0.000 1.080 31 I CA -2.110 59.052 61.300 -0.230 0.000 1.404 31 I CB 1.018 38.865 38.000 -0.256 0.000 1.403 31 I HN -0.008 nan 8.210 nan 0.000 0.539 32 P HA 0.077 nan 4.420 nan 0.000 0.278 32 P C -0.789 176.283 177.300 -0.380 0.000 1.238 32 P CA 0.074 62.795 63.100 -0.632 0.000 0.794 32 P CB 0.517 31.720 31.700 -0.830 0.000 0.955 33 Y N 0.421 120.465 120.300 -0.428 0.000 2.563 33 Y HA 0.766 5.312 4.550 -0.006 0.000 0.250 33 Y C -0.260 175.584 175.900 -0.093 0.000 1.126 33 Y CA -0.741 57.211 58.100 -0.247 0.000 1.231 33 Y CB 0.203 38.449 38.460 -0.358 0.000 1.288 33 Y HN 0.480 nan 8.280 nan 0.000 0.537 34 A N 0.380 122.905 122.820 -0.492 0.000 2.612 34 A HA 0.442 4.759 4.320 -0.006 0.000 0.293 34 A C -1.297 176.113 177.584 -0.290 0.000 1.075 34 A CA -0.948 50.903 52.037 -0.309 0.000 0.680 34 A CB 1.142 19.922 19.000 -0.367 0.000 1.279 34 A HN 0.097 nan 8.150 nan 0.000 0.411 35 Q N 0.897 120.606 119.800 -0.151 0.000 2.286 35 Q HA 0.171 4.508 4.340 -0.006 0.000 0.290 35 Q C -2.157 173.749 176.000 -0.156 0.000 1.049 35 Q CA -0.790 54.943 55.803 -0.116 0.000 0.923 35 Q CB 0.082 28.787 28.738 -0.054 0.000 1.183 35 Q HN 0.356 nan 8.270 nan 0.000 0.383 36 P HA -0.037 nan 4.420 nan 0.000 0.263 36 P C -2.315 174.925 177.300 -0.100 0.000 1.175 36 P CA -0.593 62.436 63.100 -0.119 0.000 0.761 36 P CB 0.074 31.746 31.700 -0.047 0.000 0.794 37 P HA 0.185 nan 4.420 nan 0.000 0.208 37 P C -0.722 176.510 177.300 -0.114 0.000 1.837 37 P CA 0.148 63.184 63.100 -0.108 0.000 0.953 37 P CB 0.019 31.649 31.700 -0.116 0.000 1.870 38 L N -0.511 120.659 121.223 -0.088 0.000 2.344 38 L HA 0.685 5.022 4.340 -0.006 0.000 0.272 38 L C 1.659 178.481 176.870 -0.079 0.000 1.035 38 L CA -0.219 54.570 54.840 -0.085 0.000 0.807 38 L CB 0.526 42.554 42.059 -0.052 0.000 1.237 38 L HN 0.302 nan 8.230 nan 0.000 0.442 39 G N 1.170 109.920 108.800 -0.083 0.000 2.675 39 G HA2 -0.408 3.548 3.960 -0.006 0.000 0.312 39 G HA3 -0.408 3.548 3.960 -0.006 0.000 0.312 39 G C 1.041 175.907 174.900 -0.056 0.000 1.186 39 G CA 0.832 45.897 45.100 -0.059 0.000 0.965 39 G HN 0.779 nan 8.290 nan 0.000 0.548 40 R N 0.861 121.340 120.500 -0.034 0.000 2.235 40 R HA 0.264 4.601 4.340 -0.006 0.000 0.213 40 R C 2.453 178.737 176.300 -0.026 0.000 1.059 40 R CA 1.401 57.490 56.100 -0.018 0.000 0.997 40 R CB -0.294 30.000 30.300 -0.010 0.000 0.884 40 R HN 0.562 nan 8.270 nan 0.000 0.462 41 L N 0.447 121.639 121.223 -0.052 0.000 2.529 41 L HA 0.146 4.482 4.340 -0.006 0.000 0.223 41 L C 1.178 177.987 176.870 -0.101 0.000 1.113 41 L CA -0.123 54.681 54.840 -0.061 0.000 0.861 41 L CB -0.146 41.875 42.059 -0.064 0.000 1.012 41 L HN 0.091 nan 8.230 nan 0.000 0.461 42 R N 0.722 121.119 120.500 -0.173 0.000 2.538 42 R HA -0.095 4.241 4.340 -0.006 0.000 0.282 42 R C 0.080 176.178 176.300 -0.337 0.000 1.009 42 R CA 0.265 56.132 56.100 -0.389 0.000 1.063 42 R CB 0.155 30.105 30.300 -0.584 0.000 0.945 42 R HN 0.117 nan 8.270 nan 0.000 0.414 43 F N -0.042 119.877 119.950 -0.051 0.000 2.748 43 F HA -0.327 4.196 4.527 -0.006 0.000 0.370 43 F C 0.061 175.831 175.800 -0.051 0.000 0.620 43 F CA 1.126 59.093 58.000 -0.054 0.000 1.233 43 F CB -1.554 37.418 39.000 -0.047 0.000 1.708 43 F HN 0.581 nan 8.300 nan 0.000 0.298 44 K N 0.768 121.210 120.400 0.070 0.000 2.106 44 K HA 0.494 4.810 4.320 -0.006 0.000 0.246 44 K C 0.451 177.038 176.600 -0.022 0.000 0.987 44 K CA -1.082 55.217 56.287 0.019 0.000 0.904 44 K CB 0.969 33.465 32.500 -0.006 0.000 1.071 44 K HN -0.025 nan 8.250 nan 0.000 0.453 45 K N 2.338 122.698 120.400 -0.067 0.000 2.518 45 K HA 0.008 4.325 4.320 -0.006 0.000 0.276 45 K C -2.188 174.372 176.600 -0.067 0.000 0.974 45 K CA -1.008 55.211 56.287 -0.112 0.000 0.986 45 K CB -0.093 32.224 32.500 -0.306 0.000 0.901 45 K HN 0.372 nan 8.250 nan 0.000 0.497 46 P HA -0.054 nan 4.420 nan 0.000 0.268 46 P C -1.056 176.231 177.300 -0.022 0.000 1.205 46 P CA 0.177 63.268 63.100 -0.015 0.000 0.771 46 P CB 0.718 32.452 31.700 0.057 0.000 0.858 47 Q N 1.087 120.866 119.800 -0.035 0.000 2.274 47 Q HA 0.325 4.661 4.340 -0.006 0.000 0.260 47 Q C 0.250 176.248 176.000 -0.004 0.000 0.974 47 Q CA -0.580 55.210 55.803 -0.022 0.000 0.876 47 Q CB 1.479 30.199 28.738 -0.030 0.000 1.297 47 Q HN 0.460 nan 8.270 nan 0.000 0.446 48 S N 1.168 116.881 115.700 0.022 0.000 2.589 48 S HA 0.352 4.818 4.470 -0.006 0.000 0.265 48 S C 0.182 174.806 174.600 0.040 0.000 1.342 48 S CA -0.738 57.491 58.200 0.050 0.000 1.005 48 S CB 0.542 63.782 63.200 0.066 0.000 0.909 48 S HN 0.490 nan 8.310 nan 0.000 0.555 49 L N 0.875 122.139 121.223 0.069 0.000 2.343 49 L HA 0.610 4.946 4.340 -0.006 0.000 0.275 49 L C 0.247 177.173 176.870 0.094 0.000 1.056 49 L CA 0.208 55.096 54.840 0.080 0.000 0.804 49 L CB 1.819 43.950 42.059 0.121 0.000 1.203 49 L HN 0.836 nan 8.230 nan 0.000 0.440 50 T N 3.358 117.976 114.554 0.107 0.000 2.856 50 T HA 0.390 4.737 4.350 -0.006 0.000 0.283 50 T C -0.604 174.170 174.700 0.122 0.000 1.008 50 T CA -0.745 61.407 62.100 0.086 0.000 0.997 50 T CB 0.555 69.462 68.868 0.065 0.000 0.992 50 T HN 0.604 nan 8.240 nan 0.000 0.454 51 K N 2.778 123.188 120.400 0.016 0.000 2.599 51 K HA -0.049 4.267 4.320 -0.006 0.000 0.275 51 K C -0.407 176.259 176.600 0.111 0.000 0.983 51 K CA 0.767 57.006 56.287 -0.080 0.000 1.076 51 K CB 0.117 32.563 32.500 -0.091 0.000 0.822 51 K HN 0.631 nan 8.250 nan 0.000 0.485 52 W N -0.389 120.969 121.300 0.098 0.000 2.929 52 W HA 0.540 5.196 4.660 -0.006 0.000 0.345 52 W C -0.319 176.268 176.519 0.113 0.000 1.151 52 W CA -0.715 56.706 57.345 0.126 0.000 1.111 52 W CB 0.786 30.368 29.460 0.204 0.000 1.449 52 W HN 0.565 nan 8.180 nan 0.000 0.572 53 T N -0.978 113.796 114.554 0.366 0.000 4.713 53 T HA 0.214 4.560 4.350 -0.006 0.000 0.291 53 T C -0.971 173.832 174.700 0.172 0.000 0.916 53 T CA -0.223 61.981 62.100 0.173 0.000 0.980 53 T CB -1.014 67.895 68.868 0.068 0.000 0.915 53 T HN 0.781 nan 8.240 nan 0.000 0.429 54 D N 0.374 120.909 120.400 0.224 0.000 5.589 54 D HA -0.101 4.535 4.640 -0.006 0.000 0.228 54 D C -0.828 175.761 176.300 0.482 0.000 1.675 54 D CA 0.258 54.487 54.000 0.382 0.000 1.397 54 D CB -0.627 40.546 40.800 0.621 0.000 0.554 54 D HN 0.666 nan 8.370 nan 0.000 0.288 55 I N 3.688 124.458 120.570 0.334 0.000 2.371 55 I HA 0.145 4.312 4.170 -0.006 0.000 0.282 55 I C 0.515 176.801 176.117 0.281 0.000 1.031 55 I CA -0.703 60.810 61.300 0.356 0.000 1.180 55 I CB 0.851 38.977 38.000 0.211 0.000 1.336 55 I HN 0.298 nan 8.210 nan 0.000 0.467 56 W N 7.264 128.673 121.300 0.183 0.000 2.489 56 W HA 0.045 4.702 4.660 -0.006 0.000 0.327 56 W C -0.250 176.290 176.519 0.034 0.000 1.436 56 W CA -0.021 57.260 57.345 -0.106 0.000 1.315 56 W CB 0.425 29.625 29.460 -0.432 0.000 1.373 56 W HN 0.470 nan 8.180 nan 0.000 0.557 57 N N 5.229 123.765 118.700 -0.273 0.000 2.415 57 N HA 0.168 4.904 4.740 -0.006 0.000 0.250 57 N C -0.046 175.487 175.510 0.039 0.000 1.127 57 N CA 0.150 53.143 53.050 -0.094 0.000 0.945 57 N CB 1.190 39.555 38.487 -0.204 0.000 1.196 57 N HN 0.380 nan 8.380 nan 0.000 0.499 58 A N 1.979 124.980 122.820 0.302 0.000 3.078 58 A HA 0.250 4.566 4.320 -0.006 0.000 0.279 58 A C 0.926 178.532 177.584 0.036 0.000 1.594 58 A CA -0.440 51.778 52.037 0.302 0.000 1.301 58 A CB -0.601 18.666 19.000 0.445 0.000 1.162 58 A HN 0.543 nan 8.150 nan 0.000 0.585 59 T N -2.418 112.110 114.554 -0.043 0.000 3.111 59 T HA 0.350 4.696 4.350 -0.006 0.000 0.284 59 T C 0.042 174.653 174.700 -0.149 0.000 0.983 59 T CA -0.167 61.858 62.100 -0.125 0.000 0.900 59 T CB -0.493 68.306 68.868 -0.114 0.000 1.132 59 T HN 0.735 nan 8.240 nan 0.000 0.531 60 K N -0.010 120.307 120.400 -0.139 0.000 2.568 60 K HA 0.535 4.851 4.320 -0.006 0.000 0.273 60 K C -1.669 174.858 176.600 -0.122 0.000 0.951 60 K CA -1.112 55.082 56.287 -0.155 0.000 0.854 60 K CB 0.778 33.222 32.500 -0.092 0.000 1.424 60 K HN -0.098 nan 8.250 nan 0.000 0.427 61 Y N 1.124 121.399 120.300 -0.041 0.000 2.683 61 Y HA 0.211 4.757 4.550 -0.006 0.000 0.340 61 Y C 1.054 176.905 175.900 -0.082 0.000 1.245 61 Y CA 0.778 58.857 58.100 -0.035 0.000 1.485 61 Y CB 0.605 39.063 38.460 -0.002 0.000 1.328 61 Y HN 0.793 nan 8.280 nan 0.000 0.603 62 A N 2.737 125.598 122.820 0.068 0.000 2.274 62 A HA 0.376 4.692 4.320 -0.006 0.000 0.297 62 A C -0.069 177.463 177.584 -0.086 0.000 1.191 62 A CA -1.023 50.911 52.037 -0.172 0.000 0.889 62 A CB 0.196 18.839 19.000 -0.596 0.000 1.294 62 A HN 0.784 nan 8.150 nan 0.000 0.506 63 N N 0.927 119.542 118.700 -0.140 0.000 2.412 63 N HA 0.094 4.831 4.740 -0.006 0.000 0.254 63 N C -0.055 175.471 175.510 0.027 0.000 1.232 63 N CA 0.382 53.411 53.050 -0.035 0.000 0.880 63 N CB 0.366 38.847 38.487 -0.011 0.000 1.076 63 N HN 0.498 nan 8.380 nan 0.000 0.458 64 S N 0.933 116.635 115.700 0.004 0.000 2.603 64 S HA 0.189 4.655 4.470 -0.006 0.000 0.268 64 S C 0.569 175.178 174.600 0.015 0.000 1.317 64 S CA -0.694 57.504 58.200 -0.003 0.000 1.012 64 S CB 0.676 63.843 63.200 -0.056 0.000 0.926 64 S HN 0.494 nan 8.310 nan 0.000 0.539 65 c N 1.616 120.226 118.600 0.018 0.000 2.656 65 c HA 0.234 4.800 4.570 -0.006 0.000 0.391 65 c C 1.202 175.296 174.090 0.007 0.000 1.300 65 c CA -1.038 55.305 56.329 0.024 0.000 2.302 65 c CB -0.652 41.877 42.510 0.032 0.000 2.655 65 c HN 0.837 nan 8.230 nan 0.000 0.656 66 C N 3.321 122.625 119.300 0.007 0.000 2.563 66 C HA 0.370 4.826 4.460 -0.006 0.000 0.411 66 C C 0.325 175.325 174.990 0.017 0.000 1.386 66 C CA 0.356 59.377 59.018 0.005 0.000 1.703 66 C CB -1.812 25.925 27.740 -0.005 0.000 2.596 66 C HN 0.961 nan 8.230 nan 0.000 0.605 67 Q N 2.446 122.256 119.800 0.016 0.000 2.666 67 Q HA 0.294 4.631 4.340 -0.006 0.000 0.276 67 Q C -1.622 174.393 176.000 0.025 0.000 0.952 67 Q CA -0.799 55.021 55.803 0.028 0.000 0.850 67 Q CB 0.683 29.435 28.738 0.023 0.000 1.512 67 Q HN 0.645 nan 8.270 nan 0.000 0.395 68 N N 1.055 119.773 118.700 0.031 0.000 2.508 68 N HA 0.338 5.075 4.740 -0.006 0.000 0.264 68 N C -0.714 174.815 175.510 0.031 0.000 1.216 68 N CA 0.118 53.185 53.050 0.027 0.000 0.943 68 N CB 0.528 39.027 38.487 0.021 0.000 1.113 68 N HN 0.439 nan 8.380 nan 0.000 0.447 69 I N 0.588 121.178 120.570 0.034 0.000 2.498 69 I HA 0.047 4.214 4.170 -0.006 0.000 0.301 69 I C 0.441 176.598 176.117 0.067 0.000 0.984 69 I CA -0.671 60.657 61.300 0.047 0.000 1.204 69 I CB 1.038 39.062 38.000 0.040 0.000 1.362 69 I HN 0.361 nan 8.210 nan 0.000 0.471 70 D N 4.254 124.714 120.400 0.101 0.000 2.358 70 D HA 0.117 4.753 4.640 -0.006 0.000 0.258 70 D C -0.182 176.197 176.300 0.132 0.000 1.223 70 D CA 0.263 54.352 54.000 0.149 0.000 0.886 70 D CB 0.671 41.614 40.800 0.238 0.000 1.120 70 D HN 0.462 nan 8.370 nan 0.000 0.482 71 Q N 1.994 121.843 119.800 0.082 0.000 2.157 71 Q HA 0.190 4.526 4.340 -0.006 0.000 0.229 71 Q C 1.304 177.273 176.000 -0.052 0.000 0.827 71 Q CA -0.318 55.507 55.803 0.036 0.000 1.055 71 Q CB 0.756 29.509 28.738 0.024 0.000 1.157 71 Q HN 0.293 nan 8.270 nan 0.000 0.482 72 S N 0.311 115.932 115.700 -0.133 0.000 2.382 72 S HA -0.029 4.437 4.470 -0.006 0.000 0.228 72 S C 0.165 174.286 174.600 -0.797 0.000 1.027 72 S CA 1.093 58.949 58.200 -0.574 0.000 0.991 72 S CB 0.106 62.754 63.200 -0.920 0.000 0.823 72 S HN 0.366 nan 8.310 nan 0.000 0.469 73 F N 1.062 121.070 119.950 0.095 0.000 2.564 73 F HA 0.399 4.922 4.527 -0.006 0.000 0.329 73 F C -2.860 173.010 175.800 0.117 0.000 1.458 73 F CA -3.011 55.038 58.000 0.081 0.000 1.117 73 F CB 0.081 39.148 39.000 0.113 0.000 1.383 73 F HN -0.127 nan 8.300 nan 0.000 0.571 74 P HA 0.139 nan 4.420 nan 0.000 0.264 74 P C 1.090 178.474 177.300 0.140 0.000 1.183 74 P CA 1.255 64.430 63.100 0.124 0.000 0.763 74 P CB 0.766 32.505 31.700 0.066 0.000 0.807 75 G N 1.691 110.561 108.800 0.118 0.000 2.205 75 G HA2 -0.287 3.670 3.960 -0.006 0.000 0.261 75 G HA3 -0.287 3.670 3.960 -0.006 0.000 0.261 75 G C -0.130 174.861 174.900 0.152 0.000 0.980 75 G CA -0.280 44.880 45.100 0.100 0.000 0.632 75 G HN 0.547 nan 8.290 nan 0.000 0.533 76 F N 1.731 121.685 119.950 0.007 0.000 2.405 76 F HA 0.700 5.224 4.527 -0.006 0.000 0.355 76 F C 1.230 176.988 175.800 -0.070 0.000 1.121 76 F CA -1.149 56.809 58.000 -0.071 0.000 1.112 76 F CB 1.108 40.031 39.000 -0.128 0.000 1.126 76 F HN 0.128 nan 8.300 nan 0.000 0.481 77 H N 4.077 122.743 119.070 -0.673 0.000 2.423 77 H HA 0.041 4.593 4.556 -0.006 0.000 0.297 77 H C 2.074 176.922 175.328 -0.799 0.000 1.075 77 H CA 1.754 57.443 56.048 -0.599 0.000 1.342 77 H CB -0.227 29.259 29.762 -0.461 0.000 1.395 77 H HN 0.786 nan 8.280 nan 0.000 0.530 78 G N -0.680 107.065 108.800 -1.758 0.000 2.446 78 G HA2 -0.314 3.643 3.960 -0.006 0.000 0.217 78 G HA3 -0.314 3.643 3.960 -0.006 0.000 0.217 78 G C 1.926 176.657 174.900 -0.280 0.000 1.168 78 G CA 1.517 45.756 45.100 -1.436 0.000 0.771 78 G HN 0.589 nan 8.290 nan 0.000 0.551 79 S N 0.035 115.639 115.700 -0.160 0.000 2.404 79 S HA 0.096 4.562 4.470 -0.006 0.000 0.223 79 S C 1.928 176.696 174.600 0.280 0.000 1.040 79 S CA 1.046 59.547 58.200 0.502 0.000 0.957 79 S CB -0.151 63.494 63.200 0.743 0.000 0.826 79 S HN 0.495 nan 8.310 nan 0.000 0.491 80 E N 1.933 122.149 120.200 0.027 0.000 2.204 80 E HA -0.068 4.278 4.350 -0.006 0.000 0.194 80 E C 2.105 178.620 176.600 -0.142 0.000 0.989 80 E CA 1.217 57.615 56.400 -0.003 0.000 0.824 80 E CB -0.427 29.277 29.700 0.007 0.000 0.756 80 E HN 0.808 nan 8.360 nan 0.000 0.477 81 M N -1.364 117.988 119.600 -0.414 0.000 2.435 81 M HA -0.132 4.345 4.480 -0.006 0.000 0.262 81 M C 1.009 176.910 176.300 -0.665 0.000 1.065 81 M CA 1.493 56.417 55.300 -0.626 0.000 1.076 81 M CB -0.497 31.461 32.600 -1.071 0.000 1.403 81 M HN 0.063 nan 8.290 nan 0.000 0.454 82 W N 1.076 122.295 121.300 -0.135 0.000 3.077 82 W HA 0.236 4.892 4.660 -0.006 0.000 0.266 82 W C 0.383 176.843 176.519 -0.099 0.000 1.300 82 W CA -0.880 56.393 57.345 -0.120 0.000 1.586 82 W CB -0.141 29.291 29.460 -0.047 0.000 1.103 82 W HN 0.127 nan 8.180 nan 0.000 0.652 83 N N 1.823 120.573 118.700 0.083 0.000 2.482 83 N HA 0.114 4.851 4.740 -0.006 0.000 0.260 83 N C -2.357 173.129 175.510 -0.039 0.000 1.236 83 N CA -1.363 51.709 53.050 0.037 0.000 0.938 83 N CB -0.269 38.243 38.487 0.041 0.000 1.128 83 N HN -0.301 nan 8.380 nan 0.000 0.448 84 P HA 0.024 nan 4.420 nan 0.000 0.265 84 P C 0.216 177.465 177.300 -0.085 0.000 1.187 84 P CA 0.111 63.160 63.100 -0.084 0.000 0.766 84 P CB 0.343 32.003 31.700 -0.065 0.000 0.820 85 N N -0.435 118.197 118.700 -0.113 0.000 2.238 85 N HA 0.054 4.790 4.740 -0.006 0.000 0.235 85 N C -0.468 174.995 175.510 -0.077 0.000 1.209 85 N CA -0.257 52.734 53.050 -0.099 0.000 0.879 85 N CB -0.111 38.300 38.487 -0.126 0.000 1.136 85 N HN 0.389 nan 8.380 nan 0.000 0.517 86 T N -3.352 111.160 114.554 -0.070 0.000 2.916 86 T HA 0.350 4.696 4.350 -0.006 0.000 0.292 86 T C -0.638 174.041 174.700 -0.036 0.000 1.064 86 T CA -0.787 61.289 62.100 -0.040 0.000 1.011 86 T CB 1.662 70.516 68.868 -0.023 0.000 1.152 86 T HN -0.081 nan 8.240 nan 0.000 0.510 87 D N 1.503 121.885 120.400 -0.029 0.000 2.571 87 D HA 0.050 4.687 4.640 -0.006 0.000 0.231 87 D C 0.226 176.514 176.300 -0.020 0.000 1.133 87 D CA 0.516 54.502 54.000 -0.024 0.000 0.862 87 D CB 0.522 41.307 40.800 -0.026 0.000 1.179 87 D HN 0.411 nan 8.370 nan 0.000 0.474 88 L N 1.786 122.999 121.223 -0.015 0.000 2.380 88 L HA 0.232 4.568 4.340 -0.006 0.000 0.273 88 L C 0.771 177.639 176.870 -0.003 0.000 1.138 88 L CA 0.227 55.062 54.840 -0.008 0.000 0.832 88 L CB 0.946 43.001 42.059 -0.007 0.000 1.124 88 L HN 0.269 nan 8.230 nan 0.000 0.454 89 S N 0.881 116.585 115.700 0.006 0.000 2.543 89 S HA 0.165 4.631 4.470 -0.006 0.000 0.274 89 S C 0.306 174.914 174.600 0.014 0.000 1.149 89 S CA -0.674 57.532 58.200 0.010 0.000 0.866 89 S CB 1.587 64.799 63.200 0.019 0.000 1.111 89 S HN 0.752 nan 8.310 nan 0.000 0.457 90 E N 1.032 121.229 120.200 -0.005 0.000 2.333 90 E HA -0.120 4.226 4.350 -0.006 0.000 0.198 90 E C -0.254 176.347 176.600 0.002 0.000 1.007 90 E CA 0.808 57.194 56.400 -0.023 0.000 0.845 90 E CB 0.069 29.734 29.700 -0.059 0.000 0.766 90 E HN 0.522 nan 8.360 nan 0.000 0.507 91 D N 0.069 120.495 120.400 0.044 0.000 2.524 91 D HA 0.017 4.654 4.640 -0.006 0.000 0.222 91 D C 0.059 176.508 176.300 0.249 0.000 1.142 91 D CA -0.409 53.654 54.000 0.105 0.000 0.973 91 D CB -0.034 40.835 40.800 0.115 0.000 1.025 91 D HN 0.118 nan 8.370 nan 0.000 0.519 92 c N 2.045 120.764 118.600 0.199 0.000 3.785 92 c HA 0.395 4.961 4.570 -0.006 0.000 0.312 92 c C 0.791 175.033 174.090 0.253 0.000 1.566 92 c CA -0.644 55.856 56.329 0.285 0.000 1.837 92 c CB -1.269 41.324 42.510 0.138 0.000 2.826 92 c HN 0.436 nan 8.230 nan 0.000 0.667 93 L N 2.474 123.596 121.223 -0.168 0.000 2.391 93 L HA 0.354 4.690 4.340 -0.006 0.000 0.249 93 L C -0.772 175.552 176.870 -0.910 0.000 1.308 93 L CA 0.528 55.033 54.840 -0.559 0.000 1.209 93 L CB -0.841 40.750 42.059 -0.779 0.000 1.401 93 L HN 0.408 nan 8.230 nan 0.000 0.416 94 Y N 1.429 121.731 120.300 0.004 0.000 2.633 94 Y HA 0.722 5.268 4.550 -0.006 0.000 0.339 94 Y C -0.066 175.978 175.900 0.239 0.000 1.045 94 Y CA -1.273 56.878 58.100 0.085 0.000 1.098 94 Y CB 1.854 40.334 38.460 0.035 0.000 1.296 94 Y HN 0.133 nan 8.280 nan 0.000 0.494 95 L N -0.537 120.808 121.223 0.203 0.000 2.479 95 L HA 0.738 5.074 4.340 -0.006 0.000 0.255 95 L C -1.601 175.230 176.870 -0.066 0.000 1.026 95 L CA -1.221 53.630 54.840 0.018 0.000 0.842 95 L CB 1.926 43.828 42.059 -0.263 0.000 1.444 95 L HN 0.520 nan 8.230 nan 0.000 0.409 96 N N 0.182 118.841 118.700 -0.067 0.000 2.292 96 N HA 0.794 5.531 4.740 -0.006 0.000 0.303 96 N C -1.497 173.873 175.510 -0.234 0.000 1.140 96 N CA -0.500 52.416 53.050 -0.222 0.000 0.788 96 N CB 2.956 41.236 38.487 -0.345 0.000 1.361 96 N HN 0.511 nan 8.380 nan 0.000 0.489 97 V N 1.206 120.927 119.914 -0.323 0.000 2.623 97 V HA 0.430 4.546 4.120 -0.006 0.000 0.304 97 V C -0.963 175.080 176.094 -0.085 0.000 1.054 97 V CA -0.771 61.453 62.300 -0.126 0.000 0.882 97 V CB 2.364 34.035 31.823 -0.254 0.000 1.002 97 V HN 0.567 nan 8.190 nan 0.000 0.424 98 W N 5.720 127.120 121.300 0.166 0.000 2.573 98 W HA 0.763 5.419 4.660 -0.006 0.000 0.326 98 W C -0.358 176.269 176.519 0.180 0.000 1.049 98 W CA -0.556 56.890 57.345 0.167 0.000 1.220 98 W CB 2.115 31.640 29.460 0.107 0.000 1.373 98 W HN 0.602 nan 8.180 nan 0.000 0.507 99 I N 1.094 121.909 120.570 0.409 0.000 2.730 99 I HA 0.575 4.741 4.170 -0.006 0.000 0.298 99 I C -2.651 173.613 176.117 0.244 0.000 1.089 99 I CA -3.160 58.332 61.300 0.320 0.000 1.041 99 I CB 2.178 40.387 38.000 0.348 0.000 1.235 99 I HN -0.024 nan 8.210 nan 0.000 0.423 100 P HA 0.138 nan 4.420 nan 0.000 0.266 100 P C -0.950 176.430 177.300 0.135 0.000 1.193 100 P CA 0.006 63.190 63.100 0.140 0.000 0.770 100 P CB 0.592 32.363 31.700 0.119 0.000 0.836 101 A N 4.071 126.954 122.820 0.106 0.000 2.318 101 A HA 0.668 4.984 4.320 -0.006 0.000 0.317 101 A C -2.426 175.203 177.584 0.074 0.000 1.159 101 A CA -1.600 50.491 52.037 0.090 0.000 0.799 101 A CB -0.030 19.015 19.000 0.074 0.000 1.194 101 A HN 0.357 nan 8.150 nan 0.000 0.479 102 P HA 0.152 nan 4.420 nan 0.000 0.271 102 P C -0.248 177.104 177.300 0.087 0.000 1.218 102 P CA -0.421 62.722 63.100 0.072 0.000 0.780 102 P CB 0.481 32.216 31.700 0.058 0.000 0.901 103 K N 3.589 124.047 120.400 0.097 0.000 2.513 103 K HA -0.052 4.264 4.320 -0.006 0.000 0.275 103 K C -1.768 174.886 176.600 0.091 0.000 1.025 103 K CA -0.610 55.742 56.287 0.110 0.000 1.125 103 K CB -0.267 32.291 32.500 0.098 0.000 0.843 103 K HN 0.372 nan 8.250 nan 0.000 0.486 104 P HA 0.065 nan 4.420 nan 0.000 0.275 104 P C -0.236 177.107 177.300 0.070 0.000 1.266 104 P CA -0.300 62.850 63.100 0.084 0.000 0.793 104 P CB 0.825 32.581 31.700 0.093 0.000 1.074 105 K N -0.122 120.312 120.400 0.058 0.000 2.168 105 K HA 0.052 4.369 4.320 -0.006 0.000 0.201 105 K C 0.482 177.109 176.600 0.044 0.000 1.049 105 K CA 0.902 57.216 56.287 0.046 0.000 0.974 105 K CB 0.021 32.545 32.500 0.040 0.000 0.792 105 K HN 0.383 nan 8.250 nan 0.000 0.463 106 N N -0.023 118.705 118.700 0.047 0.000 2.725 106 N HA 0.126 4.863 4.740 -0.006 0.000 0.225 106 N C -1.705 173.828 175.510 0.039 0.000 1.465 106 N CA -0.022 53.052 53.050 0.040 0.000 0.830 106 N CB 0.649 39.155 38.487 0.032 0.000 1.460 106 N HN 0.060 nan 8.380 nan 0.000 0.538 107 A N 0.278 123.128 122.820 0.049 0.000 2.388 107 A HA 0.497 4.813 4.320 -0.006 0.000 0.257 107 A C 0.575 178.172 177.584 0.023 0.000 1.095 107 A CA 0.145 52.207 52.037 0.042 0.000 0.791 107 A CB 0.148 19.189 19.000 0.067 0.000 1.029 107 A HN 0.326 nan 8.150 nan 0.000 0.489 108 T N 1.519 116.066 114.554 -0.013 0.000 2.940 108 T HA 0.366 4.712 4.350 -0.006 0.000 0.309 108 T C 0.104 174.800 174.700 -0.005 0.000 1.056 108 T CA 0.230 62.307 62.100 -0.039 0.000 1.137 108 T CB 0.219 69.017 68.868 -0.116 0.000 0.976 108 T HN 0.431 nan 8.240 nan 0.000 0.547 109 V N 5.137 125.057 119.914 0.010 0.000 2.459 109 V HA 0.441 4.557 4.120 -0.006 0.000 0.295 109 V C -0.018 176.101 176.094 0.042 0.000 1.029 109 V CA -0.806 61.525 62.300 0.050 0.000 0.874 109 V CB 1.580 33.450 31.823 0.079 0.000 0.985 109 V HN 0.683 nan 8.190 nan 0.000 0.438 110 L N 5.745 127.004 121.223 0.061 0.000 2.287 110 L HA 0.582 4.918 4.340 -0.006 0.000 0.287 110 L C -0.675 176.382 176.870 0.311 0.000 1.022 110 L CA -0.288 54.580 54.840 0.047 0.000 0.814 110 L CB 1.462 43.404 42.059 -0.195 0.000 1.217 110 L HN 0.520 nan 8.230 nan 0.000 0.420 111 I N 3.471 124.271 120.570 0.383 0.000 2.354 111 I HA 0.188 4.354 4.170 -0.006 0.000 0.286 111 I C -0.487 175.936 176.117 0.510 0.000 1.007 111 I CA -0.426 61.105 61.300 0.385 0.000 1.167 111 I CB 1.209 39.301 38.000 0.154 0.000 1.320 111 I HN 0.634 nan 8.210 nan 0.000 0.458 112 W N 8.630 130.079 121.300 0.248 0.000 2.316 112 W HA 0.550 5.206 4.660 -0.007 0.000 0.311 112 W C -1.481 174.950 176.519 -0.146 0.000 1.217 112 W CA -0.528 56.724 57.345 -0.155 0.000 1.199 112 W CB 1.144 30.531 29.460 -0.122 0.000 1.202 112 W HN 0.350 nan 8.180 nan 0.000 0.528 113 I N 8.856 128.808 120.570 -1.030 0.000 2.411 113 I HA 0.089 4.255 4.170 -0.006 0.000 0.284 113 I C -0.349 174.978 176.117 -1.316 0.000 1.012 113 I CA -1.129 59.617 61.300 -0.923 0.000 1.119 113 I CB 0.919 38.539 38.000 -0.634 0.000 1.261 113 I HN 0.287 nan 8.210 nan 0.000 0.448 114 Y N 4.494 124.355 120.300 -0.731 0.000 2.379 114 Y HA 0.717 5.264 4.550 -0.006 0.000 0.337 114 Y C 0.781 176.529 175.900 -0.253 0.000 1.238 114 Y CA -0.940 56.829 58.100 -0.551 0.000 1.405 114 Y CB -0.076 38.291 38.460 -0.156 0.000 1.310 114 Y HN 0.539 nan 8.280 nan 0.000 0.569 115 G N -0.657 108.162 108.800 0.031 0.000 2.510 115 G HA2 0.469 4.425 3.960 -0.006 0.000 0.280 115 G HA3 0.469 4.425 3.960 -0.006 0.000 0.280 115 G C 0.379 175.350 174.900 0.119 0.000 1.386 115 G CA -0.825 44.269 45.100 -0.011 0.000 1.047 115 G HN 1.725 nan 8.290 nan 0.000 0.527 116 G N -3.107 105.660 108.800 -0.054 0.000 2.363 116 G HA2 0.408 4.364 3.960 -0.006 0.000 0.213 116 G HA3 0.408 4.364 3.960 -0.006 0.000 0.213 116 G C 1.050 175.894 174.900 -0.092 0.000 1.028 116 G CA 0.757 45.838 45.100 -0.032 0.000 0.822 116 G HN 2.313 nan 8.290 nan 0.000 0.536 117 G N -0.245 108.411 108.800 -0.240 0.000 2.187 117 G HA2 -0.152 3.804 3.960 -0.006 0.000 0.261 117 G HA3 -0.152 3.804 3.960 -0.006 0.000 0.261 117 G C 0.904 175.831 174.900 0.044 0.000 1.000 117 G CA 0.708 45.692 45.100 -0.194 0.000 0.718 117 G HN 1.720 nan 8.290 nan 0.000 0.519 118 F N -2.430 117.531 119.950 0.017 0.000 2.973 118 F HA -0.276 4.247 4.527 -0.007 0.000 0.299 118 F C 1.732 177.605 175.800 0.121 0.000 0.737 118 F CA 1.924 59.946 58.000 0.035 0.000 1.151 118 F CB -1.525 37.246 39.000 -0.381 0.000 1.440 118 F HN 0.454 nan 8.300 nan 0.000 0.367 119 Q N -0.645 119.281 119.800 0.210 0.000 2.245 119 Q HA 0.294 4.630 4.340 -0.006 0.000 0.236 119 Q C 1.041 177.116 176.000 0.125 0.000 0.842 119 Q CA 1.236 57.150 55.803 0.185 0.000 0.945 119 Q CB 1.133 29.949 28.738 0.129 0.000 1.122 119 Q HN 0.578 nan 8.270 nan 0.000 0.506 120 T N -3.169 111.442 114.554 0.095 0.000 2.762 120 T HA 0.766 5.113 4.350 -0.006 0.000 0.301 120 T C -0.119 174.587 174.700 0.010 0.000 1.299 120 T CA -0.324 61.800 62.100 0.039 0.000 1.005 120 T CB 2.312 71.195 68.868 0.024 0.000 1.377 120 T HN 0.311 nan 8.240 nan 0.000 0.504 121 G N -0.633 108.087 108.800 -0.133 0.000 2.362 121 G HA2 0.448 4.405 3.960 -0.006 0.000 0.656 121 G HA3 0.448 4.405 3.960 -0.006 0.000 0.656 121 G C -0.656 173.677 174.900 -0.945 0.000 1.376 121 G CA 0.052 44.915 45.100 -0.395 0.000 0.971 121 G HN 1.766 nan 8.290 nan 0.000 0.636 122 T N -1.779 112.090 114.554 -1.143 0.000 2.957 122 T HA 0.639 4.986 4.350 -0.006 0.000 0.336 122 T C 1.484 175.971 174.700 -0.356 0.000 1.462 122 T CA 0.996 62.563 62.100 -0.887 0.000 1.073 122 T CB 1.101 69.775 68.868 -0.323 0.000 1.319 122 T HN 2.107 nan 8.240 nan 0.000 0.485 123 S N 1.423 117.184 115.700 0.101 0.000 2.507 123 S HA -0.033 4.433 4.470 -0.006 0.000 0.235 123 S C 1.725 176.461 174.600 0.227 0.000 0.988 123 S CA 1.193 59.656 58.200 0.439 0.000 0.944 123 S CB -0.457 63.043 63.200 0.500 0.000 0.762 123 S HN 0.908 nan 8.310 nan 0.000 0.526 124 S N 1.100 116.706 115.700 -0.157 0.000 2.593 124 S HA 0.347 4.813 4.470 -0.006 0.000 0.217 124 S C 0.552 174.814 174.600 -0.564 0.000 0.966 124 S CA -0.631 57.093 58.200 -0.794 0.000 0.914 124 S CB -0.708 61.821 63.200 -1.118 0.000 0.776 124 S HN 0.480 nan 8.310 nan 0.000 0.523 125 L N 2.046 123.055 121.223 -0.357 0.000 2.506 125 L HA 0.073 4.410 4.340 -0.006 0.000 0.281 125 L C 2.223 178.832 176.870 -0.434 0.000 1.228 125 L CA -0.024 54.525 54.840 -0.486 0.000 0.850 125 L CB 0.096 41.646 42.059 -0.848 0.000 1.110 125 L HN 0.386 nan 8.230 nan 0.000 0.496 126 H N 2.369 121.182 119.070 -0.427 0.000 2.387 126 H HA -0.103 4.449 4.556 -0.006 0.000 0.299 126 H C 1.705 176.808 175.328 -0.375 0.000 1.090 126 H CA 2.016 57.891 56.048 -0.289 0.000 1.332 126 H CB 0.482 30.115 29.762 -0.215 0.000 1.386 126 H HN 0.588 nan 8.280 nan 0.000 0.516 127 V N -0.940 118.553 119.914 -0.702 0.000 3.141 127 V HA -0.141 3.976 4.120 -0.006 0.000 0.265 127 V C 0.979 176.491 176.094 -0.971 0.000 1.126 127 V CA 0.942 62.786 62.300 -0.760 0.000 1.141 127 V CB -1.188 30.239 31.823 -0.659 0.000 0.743 127 V HN 0.240 nan 8.190 nan 0.000 0.492 128 Y N 0.266 119.963 120.300 -1.005 0.000 2.524 128 Y HA 0.454 5.000 4.550 -0.006 0.000 0.266 128 Y C 0.791 175.981 175.900 -1.184 0.000 1.180 128 Y CA -1.835 55.266 58.100 -1.665 0.000 1.244 128 Y CB -0.674 37.282 38.460 -0.841 0.000 1.125 128 Y HN 0.285 nan 8.280 nan 0.000 0.524 129 D N 0.587 120.601 120.400 -0.644 0.000 2.339 129 D HA 0.121 4.758 4.640 -0.006 0.000 0.256 129 D C 1.354 177.230 176.300 -0.706 0.000 1.214 129 D CA 0.147 53.862 54.000 -0.475 0.000 0.877 129 D CB 1.385 42.039 40.800 -0.244 0.000 1.111 129 D HN 0.404 nan 8.370 nan 0.000 0.478 130 G N 3.705 111.557 108.800 -1.581 0.000 3.061 130 G HA2 -0.160 3.796 3.960 -0.006 0.000 0.208 130 G HA3 -0.160 3.796 3.960 -0.006 0.000 0.208 130 G C 1.251 175.524 174.900 -1.046 0.000 1.175 130 G CA 0.239 44.670 45.100 -1.114 0.000 0.812 130 G HN 0.611 nan 8.290 nan 0.000 0.523 131 K N -0.619 119.058 120.400 -1.205 0.000 2.305 131 K HA 0.118 4.434 4.320 -0.006 0.000 0.199 131 K C 1.536 177.832 176.600 -0.506 0.000 1.047 131 K CA 0.319 56.155 56.287 -0.752 0.000 0.976 131 K CB -0.282 31.828 32.500 -0.649 0.000 0.765 131 K HN 0.206 nan 8.250 nan 0.000 0.474 132 F N 2.101 121.919 119.950 -0.220 0.000 2.128 132 F HA 0.021 4.544 4.527 -0.006 0.000 0.295 132 F C 2.175 177.961 175.800 -0.024 0.000 1.100 132 F CA 0.723 58.666 58.000 -0.094 0.000 1.260 132 F CB -0.681 38.301 39.000 -0.030 0.000 1.009 132 F HN -0.158 nan 8.300 nan 0.000 0.476 133 L N -0.070 121.215 121.223 0.102 0.000 2.012 133 L HA -0.240 4.096 4.340 -0.006 0.000 0.210 133 L C 2.739 179.636 176.870 0.045 0.000 1.073 133 L CA 1.368 56.231 54.840 0.039 0.000 0.748 133 L CB -1.016 41.019 42.059 -0.040 0.000 0.891 133 L HN 0.181 nan 8.230 nan 0.000 0.431 134 A N -0.085 122.752 122.820 0.029 0.000 1.902 134 A HA -0.254 4.063 4.320 -0.006 0.000 0.217 134 A C 2.323 179.956 177.584 0.081 0.000 1.181 134 A CA 1.870 53.954 52.037 0.078 0.000 0.623 134 A CB -0.497 18.588 19.000 0.143 0.000 0.818 134 A HN 0.307 nan 8.150 nan 0.000 0.443 135 R N -0.144 120.393 120.500 0.062 0.000 2.083 135 R HA -0.090 4.247 4.340 -0.006 0.000 0.237 135 R C 1.760 178.149 176.300 0.149 0.000 1.137 135 R CA 2.429 58.587 56.100 0.096 0.000 0.951 135 R CB -0.999 29.338 30.300 0.061 0.000 0.851 135 R HN 0.264 nan 8.270 nan 0.000 0.434 136 V N 0.357 120.377 119.914 0.175 0.000 2.535 136 V HA 0.007 4.123 4.120 -0.006 0.000 0.246 136 V C 1.513 177.665 176.094 0.097 0.000 1.045 136 V CA 1.596 63.991 62.300 0.159 0.000 1.058 136 V CB -0.231 31.698 31.823 0.178 0.000 0.689 136 V HN 0.282 nan 8.190 nan 0.000 0.461 137 E N -0.427 119.820 120.200 0.077 0.000 2.498 137 E HA 0.164 4.511 4.350 -0.006 0.000 0.203 137 E C 0.251 176.881 176.600 0.050 0.000 1.013 137 E CA -0.195 56.237 56.400 0.053 0.000 0.927 137 E CB 0.347 30.064 29.700 0.028 0.000 1.012 137 E HN 0.369 nan 8.360 nan 0.000 0.482 138 R N 0.057 120.597 120.500 0.066 0.000 3.516 138 R HA -0.138 4.198 4.340 -0.006 0.000 0.271 138 R C 0.469 176.805 176.300 0.059 0.000 1.098 138 R CA 0.766 56.908 56.100 0.070 0.000 0.732 138 R CB -3.066 27.276 30.300 0.069 0.000 1.152 138 R HN 0.127 nan 8.270 nan 0.000 0.455 139 V N -2.305 117.640 119.914 0.051 0.000 3.109 139 V HA 0.620 4.736 4.120 -0.006 0.000 0.317 139 V C 1.281 177.432 176.094 0.096 0.000 1.074 139 V CA -1.106 61.221 62.300 0.045 0.000 1.033 139 V CB 2.127 33.952 31.823 0.002 0.000 1.111 139 V HN 0.137 nan 8.190 nan 0.000 0.458 140 I N 1.706 122.341 120.570 0.108 0.000 2.365 140 I HA 0.387 4.553 4.170 -0.006 0.000 0.291 140 I C -0.497 175.736 176.117 0.193 0.000 1.004 140 I CA -0.463 60.937 61.300 0.166 0.000 1.311 140 I CB 1.553 39.642 38.000 0.149 0.000 1.401 140 I HN 0.393 nan 8.210 nan 0.000 0.491 141 V N 7.428 127.524 119.914 0.303 0.000 2.435 141 V HA 0.441 4.558 4.120 -0.006 0.000 0.290 141 V C -0.010 176.386 176.094 0.503 0.000 1.030 141 V CA -0.598 61.940 62.300 0.397 0.000 0.881 141 V CB 2.008 34.066 31.823 0.392 0.000 0.983 141 V HN 0.417 nan 8.190 nan 0.000 0.445 142 V N 3.928 124.100 119.914 0.430 0.000 2.656 142 V HA 0.803 4.919 4.120 -0.006 0.000 0.307 142 V C -0.157 176.176 176.094 0.399 0.000 1.051 142 V CA -0.331 62.166 62.300 0.327 0.000 0.893 142 V CB 2.314 34.242 31.823 0.175 0.000 0.999 142 V HN 1.029 nan 8.190 nan 0.000 0.426 143 S N 5.163 121.080 115.700 0.362 0.000 2.564 143 S HA 0.916 5.382 4.470 -0.006 0.000 0.274 143 S C -0.935 173.801 174.600 0.228 0.000 1.124 143 S CA -0.800 57.629 58.200 0.382 0.000 0.869 143 S CB 2.432 66.001 63.200 0.615 0.000 1.105 143 S HN 0.955 nan 8.310 nan 0.000 0.472 144 M N 1.412 121.131 119.600 0.198 0.000 2.501 144 M HA 0.627 5.103 4.480 -0.006 0.000 0.293 144 M C -2.063 174.451 176.300 0.357 0.000 1.192 144 M CA -0.529 54.871 55.300 0.166 0.000 0.886 144 M CB 1.481 34.018 32.600 -0.105 0.000 1.710 144 M HN 0.593 nan 8.290 nan 0.000 0.457 145 N N 2.991 121.947 118.700 0.427 0.000 2.518 145 N HA 0.621 5.357 4.740 -0.006 0.000 0.283 145 N C -1.377 174.396 175.510 0.439 0.000 1.119 145 N CA 0.131 53.450 53.050 0.449 0.000 0.983 145 N CB 0.667 39.357 38.487 0.338 0.000 1.139 145 N HN 0.738 nan 8.380 nan 0.000 0.465 146 Y N -1.899 118.584 120.300 0.305 0.000 2.562 146 Y HA 0.555 5.102 4.550 -0.006 0.000 0.345 146 Y C -0.120 175.904 175.900 0.207 0.000 1.045 146 Y CA -1.339 56.882 58.100 0.202 0.000 1.028 146 Y CB 0.955 39.469 38.460 0.090 0.000 1.297 146 Y HN 0.202 nan 8.280 nan 0.000 0.463 147 R N 1.852 122.484 120.500 0.219 0.000 2.590 147 R HA 0.497 4.833 4.340 -0.006 0.000 0.274 147 R C -0.286 176.155 176.300 0.235 0.000 1.061 147 R CA -0.092 56.083 56.100 0.124 0.000 1.081 147 R CB 0.846 31.168 30.300 0.036 0.000 0.984 147 R HN 0.725 nan 8.270 nan 0.000 0.448 148 V N -0.644 119.406 119.914 0.226 0.000 3.164 148 V HA 0.864 4.980 4.120 -0.006 0.000 0.313 148 V C 0.702 177.007 176.094 0.352 0.000 1.188 148 V CA -0.255 62.292 62.300 0.411 0.000 1.058 148 V CB 1.085 33.066 31.823 0.264 0.000 1.110 148 V HN 0.972 nan 8.190 nan 0.000 0.453 149 G N 0.304 109.346 108.800 0.403 0.000 2.578 149 G HA2 0.007 3.963 3.960 -0.006 0.000 0.284 149 G HA3 0.007 3.963 3.960 -0.006 0.000 0.284 149 G C 1.059 176.094 174.900 0.224 0.000 1.283 149 G CA 1.241 46.530 45.100 0.314 0.000 0.944 149 G HN 2.246 nan 8.290 nan 0.000 0.558 150 A N -1.116 121.600 122.820 -0.173 0.000 1.908 150 A HA 0.099 4.415 4.320 -0.006 0.000 0.218 150 A C 2.707 180.270 177.584 -0.034 0.000 1.181 150 A CA 2.346 54.027 52.037 -0.594 0.000 0.627 150 A CB -0.428 18.020 19.000 -0.919 0.000 0.818 150 A HN 1.092 nan 8.150 nan 0.000 0.445 151 L N -0.945 120.313 121.223 0.059 0.000 2.261 151 L HA -0.149 4.187 4.340 -0.006 0.000 0.216 151 L C 2.479 179.380 176.870 0.053 0.000 1.114 151 L CA 1.006 55.883 54.840 0.062 0.000 0.777 151 L CB -0.345 41.682 42.059 -0.053 0.000 0.910 151 L HN 0.523 nan 8.230 nan 0.000 0.440 152 G N -2.042 106.799 108.800 0.068 0.000 2.709 152 G HA2 0.002 3.959 3.960 -0.006 0.000 0.208 152 G HA3 0.002 3.959 3.960 -0.006 0.000 0.208 152 G C 0.851 175.465 174.900 -0.477 0.000 1.129 152 G CA -0.023 44.981 45.100 -0.159 0.000 0.793 152 G HN 0.296 nan 8.290 nan 0.000 0.524 153 F N -0.399 119.628 119.950 0.128 0.000 2.899 153 F HA 0.442 4.965 4.527 -0.006 0.000 0.337 153 F C 0.372 176.266 175.800 0.158 0.000 1.129 153 F CA -0.935 57.140 58.000 0.125 0.000 1.128 153 F CB 0.496 39.573 39.000 0.128 0.000 1.154 153 F HN -0.099 nan 8.300 nan 0.000 0.531 154 L N 2.156 123.482 121.223 0.171 0.000 2.578 154 L HA 0.383 4.719 4.340 -0.006 0.000 0.279 154 L C 0.143 177.058 176.870 0.074 0.000 1.227 154 L CA 0.342 55.216 54.840 0.057 0.000 0.900 154 L CB 0.332 42.223 42.059 -0.280 0.000 1.144 154 L HN 0.157 nan 8.230 nan 0.000 0.496 155 A N 5.854 128.738 122.820 0.107 0.000 2.359 155 A HA 0.696 5.013 4.320 -0.006 0.000 0.303 155 A C -1.451 176.142 177.584 0.014 0.000 1.066 155 A CA -0.528 51.545 52.037 0.060 0.000 0.730 155 A CB 1.240 20.294 19.000 0.090 0.000 1.211 155 A HN 0.522 nan 8.150 nan 0.000 0.439 156 L N 4.011 125.228 121.223 -0.010 0.000 2.417 156 L HA 0.437 4.774 4.340 -0.006 0.000 0.259 156 L C -2.529 174.343 176.870 0.003 0.000 1.023 156 L CA -2.087 52.744 54.840 -0.016 0.000 0.901 156 L CB 1.175 43.209 42.059 -0.040 0.000 1.227 156 L HN 0.358 nan 8.230 nan 0.000 0.454 157 P HA 0.226 nan 4.420 nan 0.000 0.261 157 P C 0.895 178.208 177.300 0.022 0.000 1.183 157 P CA 0.925 64.040 63.100 0.025 0.000 0.761 157 P CB 0.679 32.395 31.700 0.026 0.000 0.785 158 G N 2.295 111.112 108.800 0.028 0.000 2.199 158 G HA2 -0.254 3.702 3.960 -0.006 0.000 0.254 158 G HA3 -0.254 3.702 3.960 -0.006 0.000 0.254 158 G C 0.398 175.306 174.900 0.014 0.000 0.982 158 G CA -0.210 44.903 45.100 0.022 0.000 0.632 158 G HN 0.656 nan 8.290 nan 0.000 0.529 159 N N 1.240 119.947 118.700 0.011 0.000 2.485 159 N HA 0.412 5.148 4.740 -0.006 0.000 0.243 159 N C -0.825 174.688 175.510 0.004 0.000 0.987 159 N CA -1.971 51.081 53.050 0.004 0.000 0.940 159 N CB 1.786 40.272 38.487 -0.003 0.000 1.122 159 N HN 0.090 nan 8.380 nan 0.000 0.509 160 P HA -0.081 nan 4.420 nan 0.000 0.228 160 P C 0.410 177.712 177.300 0.004 0.000 1.151 160 P CA 0.830 63.925 63.100 -0.007 0.000 0.770 160 P CB 0.609 32.299 31.700 -0.016 0.000 0.786 161 E N -0.048 120.160 120.200 0.012 0.000 2.347 161 E HA 0.089 4.435 4.350 -0.006 0.000 0.196 161 E C 1.005 177.637 176.600 0.054 0.000 1.008 161 E CA 0.497 56.917 56.400 0.034 0.000 0.852 161 E CB -0.041 29.675 29.700 0.026 0.000 0.783 161 E HN 0.236 nan 8.360 nan 0.000 0.505 162 A N 0.805 123.638 122.820 0.021 0.000 3.208 162 A HA 0.244 4.560 4.320 -0.006 0.000 0.252 162 A C -2.285 175.305 177.584 0.010 0.000 1.225 162 A CA -0.680 51.359 52.037 0.003 0.000 0.980 162 A CB 0.464 19.389 19.000 -0.124 0.000 1.414 162 A HN -0.104 nan 8.150 nan 0.000 0.721 163 P HA 0.278 nan 4.420 nan 0.000 0.240 163 P C 0.855 178.204 177.300 0.082 0.000 1.190 163 P CA 1.543 64.674 63.100 0.051 0.000 0.781 163 P CB 0.412 32.143 31.700 0.052 0.000 0.931 164 G N 0.706 109.558 108.800 0.087 0.000 2.619 164 G HA2 -0.126 3.830 3.960 -0.006 0.000 0.686 164 G HA3 -0.126 3.830 3.960 -0.006 0.000 0.686 164 G C -0.268 174.693 174.900 0.101 0.000 1.256 164 G CA -0.362 44.804 45.100 0.110 0.000 0.826 164 G HN 0.052 nan 8.290 nan 0.000 0.619 165 N N -1.441 117.293 118.700 0.057 0.000 2.713 165 N HA -0.233 4.504 4.740 -0.006 0.000 0.251 165 N C 1.611 176.984 175.510 -0.228 0.000 1.117 165 N CA 2.054 55.025 53.050 -0.132 0.000 0.770 165 N CB -1.099 37.288 38.487 -0.167 0.000 1.137 165 N HN 0.707 nan 8.380 nan 0.000 0.566 166 M N -0.433 119.040 119.600 -0.211 0.000 2.108 166 M HA -0.009 4.467 4.480 -0.006 0.000 0.261 166 M C 2.420 178.614 176.300 -0.177 0.000 1.066 166 M CA 2.207 57.468 55.300 -0.065 0.000 1.107 166 M CB -0.613 31.942 32.600 -0.075 0.000 1.356 166 M HN 0.327 nan 8.290 nan 0.000 0.406 167 G N -0.405 108.052 108.800 -0.570 0.000 2.432 167 G HA2 -0.122 3.834 3.960 -0.006 0.000 0.219 167 G HA3 -0.122 3.834 3.960 -0.006 0.000 0.219 167 G C 1.604 176.373 174.900 -0.219 0.000 1.135 167 G CA 0.597 45.514 45.100 -0.304 0.000 0.767 167 G HN 0.396 nan 8.290 nan 0.000 0.550 168 L N -0.877 120.093 121.223 -0.422 0.000 2.056 168 L HA 0.059 4.395 4.340 -0.006 0.000 0.207 168 L C 2.625 179.226 176.870 -0.450 0.000 1.078 168 L CA 0.767 55.234 54.840 -0.622 0.000 0.749 168 L CB -0.352 40.943 42.059 -1.274 0.000 0.901 168 L HN 0.177 nan 8.230 nan 0.000 0.433 169 F N 0.207 120.016 119.950 -0.235 0.000 2.216 169 F HA -0.226 4.298 4.527 -0.006 0.000 0.300 169 F C 2.255 178.100 175.800 0.074 0.000 1.085 169 F CA 0.880 58.883 58.000 0.004 0.000 1.326 169 F CB -0.213 38.795 39.000 0.014 0.000 1.027 169 F HN 0.160 nan 8.300 nan 0.000 0.497 170 D N 0.091 120.626 120.400 0.224 0.000 2.084 170 D HA -0.187 4.449 4.640 -0.006 0.000 0.194 170 D C 2.154 178.597 176.300 0.238 0.000 0.990 170 D CA 1.247 55.427 54.000 0.300 0.000 0.826 170 D CB -0.723 40.261 40.800 0.306 0.000 0.971 170 D HN 0.333 nan 8.370 nan 0.000 0.453 171 Q N 0.341 120.189 119.800 0.080 0.000 2.096 171 Q HA -0.245 4.092 4.340 -0.006 0.000 0.208 171 Q C 2.235 178.252 176.000 0.028 0.000 0.993 171 Q CA 1.545 57.325 55.803 -0.039 0.000 0.862 171 Q CB -0.207 28.478 28.738 -0.089 0.000 0.915 171 Q HN 0.385 nan 8.270 nan 0.000 0.416 172 Q N 0.201 120.126 119.800 0.208 0.000 2.167 172 Q HA -0.163 4.173 4.340 -0.006 0.000 0.202 172 Q C 1.974 178.092 176.000 0.198 0.000 0.970 172 Q CA 0.791 56.755 55.803 0.268 0.000 0.855 172 Q CB 0.051 29.046 28.738 0.429 0.000 0.911 172 Q HN 0.307 nan 8.270 nan 0.000 0.438 173 L N 0.111 121.470 121.223 0.227 0.000 2.240 173 L HA 0.070 4.407 4.340 -0.006 0.000 0.211 173 L C 2.010 178.968 176.870 0.147 0.000 1.106 173 L CA 1.673 56.658 54.840 0.242 0.000 0.793 173 L CB -0.547 41.708 42.059 0.327 0.000 0.927 173 L HN 0.176 nan 8.230 nan 0.000 0.446 174 A N -0.222 122.520 122.820 -0.130 0.000 1.898 174 A HA -0.135 4.181 4.320 -0.006 0.000 0.216 174 A C 2.171 179.720 177.584 -0.058 0.000 1.181 174 A CA 1.820 53.619 52.037 -0.397 0.000 0.620 174 A CB -0.798 17.723 19.000 -0.799 0.000 0.819 174 A HN 0.484 nan 8.150 nan 0.000 0.442 175 L N -0.925 120.276 121.223 -0.037 0.000 2.042 175 L HA -0.251 4.085 4.340 -0.006 0.000 0.210 175 L C 2.804 179.737 176.870 0.105 0.000 1.076 175 L CA 1.772 56.627 54.840 0.026 0.000 0.749 175 L CB -0.759 41.289 42.059 -0.019 0.000 0.893 175 L HN 0.447 nan 8.230 nan 0.000 0.432 176 Q N 0.050 119.926 119.800 0.126 0.000 2.096 176 Q HA -0.265 4.071 4.340 -0.006 0.000 0.204 176 Q C 2.001 178.086 176.000 0.143 0.000 0.982 176 Q CA 2.000 57.882 55.803 0.132 0.000 0.850 176 Q CB -0.593 28.234 28.738 0.149 0.000 0.901 176 Q HN 0.530 nan 8.270 nan 0.000 0.422 177 W N -0.719 120.586 121.300 0.008 0.000 2.358 177 W HA -0.166 4.490 4.660 -0.007 0.000 0.303 177 W C 1.760 178.274 176.519 -0.008 0.000 1.208 177 W CA 1.764 59.114 57.345 0.009 0.000 1.274 177 W CB -0.098 29.363 29.460 0.002 0.000 1.138 177 W HN 0.019 nan 8.180 nan 0.000 0.515 178 V N 0.830 120.927 119.914 0.304 0.000 2.358 178 V HA -0.317 3.799 4.120 -0.006 0.000 0.246 178 V C 2.533 178.623 176.094 -0.007 0.000 1.047 178 V CA 1.890 64.285 62.300 0.158 0.000 1.035 178 V CB -1.065 30.869 31.823 0.185 0.000 0.658 178 V HN 0.173 nan 8.190 nan 0.000 0.452 179 Q N 0.554 120.366 119.800 0.019 0.000 2.045 179 Q HA -0.250 4.086 4.340 -0.006 0.000 0.206 179 Q C 2.292 178.246 176.000 -0.077 0.000 0.991 179 Q CA 1.913 57.712 55.803 -0.007 0.000 0.851 179 Q CB -0.426 28.327 28.738 0.024 0.000 0.911 179 Q HN 0.611 nan 8.270 nan 0.000 0.418 180 K N -0.067 120.253 120.400 -0.134 0.000 2.148 180 K HA -0.026 4.290 4.320 -0.006 0.000 0.204 180 K C 1.602 178.026 176.600 -0.293 0.000 1.050 180 K CA 1.006 57.178 56.287 -0.193 0.000 0.942 180 K CB 0.147 32.528 32.500 -0.198 0.000 0.724 180 K HN 0.172 nan 8.250 nan 0.000 0.446 181 N N -0.149 118.264 118.700 -0.479 0.000 2.257 181 N HA 0.027 4.763 4.740 -0.006 0.000 0.200 181 N C 1.353 176.714 175.510 -0.247 0.000 1.163 181 N CA 0.221 52.931 53.050 -0.567 0.000 0.891 181 N CB 0.437 38.099 38.487 -1.375 0.000 1.067 181 N HN 0.001 nan 8.380 nan 0.000 0.497 182 I N 2.183 122.646 120.570 -0.178 0.000 2.614 182 I HA -0.063 4.103 4.170 -0.006 0.000 0.258 182 I C 2.130 178.320 176.117 0.120 0.000 1.189 182 I CA 0.398 61.715 61.300 0.028 0.000 1.462 182 I CB -0.153 37.859 38.000 0.020 0.000 1.092 182 I HN 0.026 nan 8.210 nan 0.000 0.442 183 A N 0.316 123.157 122.820 0.035 0.000 1.978 183 A HA -0.179 4.138 4.320 -0.006 0.000 0.220 183 A C 2.508 180.109 177.584 0.027 0.000 1.170 183 A CA 1.707 53.760 52.037 0.028 0.000 0.636 183 A CB -1.060 17.933 19.000 -0.012 0.000 0.810 183 A HN 0.461 nan 8.150 nan 0.000 0.448 184 A N -1.291 121.529 122.820 -0.001 0.000 1.972 184 A HA 0.017 4.333 4.320 -0.006 0.000 0.219 184 A C 1.663 179.113 177.584 -0.223 0.000 1.169 184 A CA 1.380 53.327 52.037 -0.150 0.000 0.635 184 A CB -0.650 18.176 19.000 -0.289 0.000 0.810 184 A HN 0.499 nan 8.150 nan 0.000 0.446 185 F N -1.008 118.902 119.950 -0.068 0.000 2.765 185 F HA 0.364 4.887 4.527 -0.006 0.000 0.302 185 F C 1.787 177.599 175.800 0.020 0.000 1.111 185 F CA 0.570 58.548 58.000 -0.037 0.000 1.359 185 F CB 0.103 39.072 39.000 -0.051 0.000 1.097 185 F HN 0.350 nan 8.300 nan 0.000 0.577 186 G N 0.085 108.977 108.800 0.153 0.000 2.144 186 G HA2 -0.132 3.825 3.960 -0.006 0.000 0.218 186 G HA3 -0.132 3.825 3.960 -0.006 0.000 0.218 186 G C 0.518 175.484 174.900 0.110 0.000 0.988 186 G CA -0.334 44.833 45.100 0.111 0.000 0.659 186 G HN 0.718 nan 8.290 nan 0.000 0.522 187 G N -0.566 108.307 108.800 0.123 0.000 2.451 187 G HA2 0.492 4.448 3.960 -0.006 0.000 0.303 187 G HA3 0.492 4.448 3.960 -0.006 0.000 0.303 187 G C -0.306 174.629 174.900 0.058 0.000 1.166 187 G CA -0.336 44.819 45.100 0.093 0.000 0.884 187 G HN 0.341 nan 8.290 nan 0.000 0.514 188 N N 1.342 120.068 118.700 0.043 0.000 2.500 188 N HA 0.298 5.035 4.740 -0.006 0.000 0.236 188 N C -1.324 174.201 175.510 0.025 0.000 1.022 188 N CA -2.453 50.613 53.050 0.027 0.000 0.935 188 N CB 1.947 40.444 38.487 0.017 0.000 1.147 188 N HN 0.074 nan 8.380 nan 0.000 0.512 189 P HA -0.099 nan 4.420 nan 0.000 0.226 189 P C 0.275 177.589 177.300 0.024 0.000 1.146 189 P CA 1.134 64.249 63.100 0.024 0.000 0.773 189 P CB 0.398 32.103 31.700 0.008 0.000 0.772 190 K N -0.920 119.488 120.400 0.012 0.000 2.404 190 K HA 0.145 4.462 4.320 -0.006 0.000 0.194 190 K C 0.647 177.244 176.600 -0.005 0.000 1.023 190 K CA 0.170 56.459 56.287 0.003 0.000 1.094 190 K CB 0.267 32.765 32.500 -0.002 0.000 0.841 190 K HN -0.077 nan 8.250 nan 0.000 0.523 191 S N 1.263 116.962 115.700 -0.001 0.000 2.259 191 S HA 0.299 4.765 4.470 -0.006 0.000 0.181 191 S C -1.174 173.426 174.600 -0.000 0.000 1.589 191 S CA -0.583 57.604 58.200 -0.021 0.000 1.234 191 S CB 0.463 63.638 63.200 -0.042 0.000 1.119 191 S HN -0.125 nan 8.310 nan 0.000 0.458 192 V N 3.719 123.654 119.914 0.036 0.000 2.588 192 V HA 0.575 4.691 4.120 -0.006 0.000 0.304 192 V C -0.079 176.089 176.094 0.123 0.000 1.042 192 V CA -0.495 61.855 62.300 0.083 0.000 0.877 192 V CB 2.216 34.116 31.823 0.129 0.000 0.996 192 V HN 0.692 nan 8.190 nan 0.000 0.425 193 T N 6.297 120.905 114.554 0.091 0.000 2.792 193 T HA 0.601 4.947 4.350 -0.006 0.000 0.280 193 T C -0.342 174.452 174.700 0.156 0.000 0.990 193 T CA -0.320 61.854 62.100 0.123 0.000 0.960 193 T CB 0.866 69.744 68.868 0.016 0.000 0.939 193 T HN 0.352 nan 8.240 nan 0.000 0.439 194 L N 5.006 126.324 121.223 0.158 0.000 2.326 194 L HA 0.693 5.029 4.340 -0.006 0.000 0.278 194 L C -0.418 176.619 176.870 0.279 0.000 1.092 194 L CA -0.821 54.071 54.840 0.087 0.000 0.810 194 L CB 0.361 42.256 42.059 -0.273 0.000 1.153 194 L HN 0.606 nan 8.230 nan 0.000 0.439 195 F N 0.461 120.429 119.950 0.029 0.000 2.613 195 F HA 0.962 5.486 4.527 -0.006 0.000 0.310 195 F C -0.365 175.377 175.800 -0.097 0.000 1.085 195 F CA -1.691 56.359 58.000 0.083 0.000 0.945 195 F CB 1.560 40.721 39.000 0.267 0.000 1.298 195 F HN 0.473 nan 8.300 nan 0.000 0.455 196 G N 1.130 109.733 108.800 -0.328 0.000 2.632 196 G HA2 0.489 4.445 3.960 -0.006 0.000 0.292 196 G HA3 0.489 4.445 3.960 -0.006 0.000 0.292 196 G C -2.548 172.065 174.900 -0.479 0.000 1.465 196 G CA -0.783 43.755 45.100 -0.938 0.000 0.824 196 G HN 0.883 nan 8.290 nan 0.000 0.509 197 E N 0.429 120.331 120.200 -0.497 0.000 2.256 197 E HA 0.653 4.999 4.350 -0.006 0.000 0.267 197 E C 0.683 177.229 176.600 -0.091 0.000 0.892 197 E CA 0.231 56.582 56.400 -0.081 0.000 0.775 197 E CB 2.198 31.989 29.700 0.152 0.000 1.207 197 E HN 0.775 nan 8.360 nan 0.000 0.420 198 S N 2.259 117.986 115.700 0.046 0.000 4.114 198 S HA -0.384 4.083 4.470 -0.006 0.000 0.618 198 S C 1.374 176.001 174.600 0.045 0.000 1.937 198 S CA 1.923 60.197 58.200 0.123 0.000 4.228 198 S CB -1.582 61.643 63.200 0.043 0.000 0.216 198 S HN 0.917 nan 8.310 nan 0.000 0.528 199 A N 0.985 123.666 122.820 -0.231 0.000 2.067 199 A HA 0.259 4.576 4.320 -0.006 0.000 0.219 199 A C 2.326 179.633 177.584 -0.462 0.000 1.158 199 A CA 2.064 53.812 52.037 -0.482 0.000 0.661 199 A CB -1.334 16.991 19.000 -1.126 0.000 0.801 199 A HN 1.435 nan 8.150 nan 0.000 0.452 200 G N -0.500 108.090 108.800 -0.351 0.000 2.408 200 G HA2 0.061 4.017 3.960 -0.006 0.000 0.217 200 G HA3 0.061 4.017 3.960 -0.006 0.000 0.217 200 G C 1.653 176.363 174.900 -0.317 0.000 1.150 200 G CA 1.162 46.003 45.100 -0.431 0.000 0.776 200 G HN 0.699 nan 8.290 nan 0.000 0.542 201 A N 1.133 123.835 122.820 -0.196 0.000 1.897 201 A HA 0.406 4.722 4.320 -0.006 0.000 0.215 201 A C 2.798 180.325 177.584 -0.095 0.000 1.181 201 A CA 1.899 53.860 52.037 -0.127 0.000 0.620 201 A CB -0.736 18.229 19.000 -0.060 0.000 0.821 201 A HN 0.683 nan 8.150 nan 0.000 0.443 202 A N -0.247 122.571 122.820 -0.003 0.000 1.908 202 A HA -0.110 4.206 4.320 -0.006 0.000 0.218 202 A C 2.433 180.083 177.584 0.110 0.000 1.181 202 A CA 2.178 54.245 52.037 0.050 0.000 0.627 202 A CB -0.926 18.193 19.000 0.199 0.000 0.818 202 A HN 0.447 nan 8.150 nan 0.000 0.445 203 S N -0.476 115.275 115.700 0.085 0.000 2.370 203 S HA -0.142 4.324 4.470 -0.006 0.000 0.226 203 S C 1.888 176.545 174.600 0.095 0.000 1.033 203 S CA 1.442 59.681 58.200 0.066 0.000 1.011 203 S CB -0.516 62.638 63.200 -0.076 0.000 0.852 203 S HN 0.357 nan 8.310 nan 0.000 0.457 204 V N 2.413 122.333 119.914 0.009 0.000 2.343 204 V HA -0.188 3.928 4.120 -0.006 0.000 0.247 204 V C 2.736 178.877 176.094 0.078 0.000 1.051 204 V CA 1.980 64.285 62.300 0.008 0.000 1.036 204 V CB -1.108 30.665 31.823 -0.083 0.000 0.654 204 V HN 0.722 nan 8.190 nan 0.000 0.451 205 S N 0.005 115.721 115.700 0.026 0.000 2.399 205 S HA -0.151 4.316 4.470 -0.006 0.000 0.231 205 S C 1.928 176.711 174.600 0.306 0.000 1.022 205 S CA 1.596 59.859 58.200 0.106 0.000 0.983 205 S CB -0.606 62.495 63.200 -0.164 0.000 0.803 205 S HN 0.536 nan 8.310 nan 0.000 0.480 206 L N 0.498 121.851 121.223 0.217 0.000 2.240 206 L HA 0.020 4.357 4.340 -0.006 0.000 0.211 206 L C 2.799 179.751 176.870 0.136 0.000 1.106 206 L CA 1.054 55.977 54.840 0.138 0.000 0.793 206 L CB -0.662 41.480 42.059 0.138 0.000 0.927 206 L HN 0.409 nan 8.230 nan 0.000 0.446 207 H N -0.053 119.143 119.070 0.210 0.000 2.457 207 H HA -0.063 4.489 4.556 -0.007 0.000 0.294 207 H C 2.316 177.890 175.328 0.410 0.000 1.064 207 H CA 1.105 57.260 56.048 0.179 0.000 1.330 207 H CB 0.162 29.892 29.762 -0.054 0.000 1.395 207 H HN 0.351 nan 8.280 nan 0.000 0.541 208 L N 0.391 121.944 121.223 0.550 0.000 2.201 208 L HA -0.127 4.210 4.340 -0.006 0.000 0.212 208 L C 2.191 179.450 176.870 0.650 0.000 1.105 208 L CA 0.633 55.859 54.840 0.643 0.000 0.775 208 L CB -0.108 42.290 42.059 0.565 0.000 0.913 208 L HN 0.212 nan 8.230 nan 0.000 0.440 209 L N -1.780 119.687 121.223 0.407 0.000 2.509 209 L HA 0.056 4.393 4.340 -0.006 0.000 0.222 209 L C 1.139 178.006 176.870 -0.005 0.000 1.123 209 L CA 0.035 55.017 54.840 0.237 0.000 0.856 209 L CB -0.001 42.051 42.059 -0.011 0.000 0.985 209 L HN 0.055 nan 8.230 nan 0.000 0.456 210 S N 0.755 116.333 115.700 -0.203 0.000 2.438 210 S HA 0.262 4.729 4.470 -0.006 0.000 0.293 210 S C -1.345 172.756 174.600 -0.832 0.000 1.141 210 S CA -1.598 56.215 58.200 -0.645 0.000 1.080 210 S CB 1.115 63.585 63.200 -1.217 0.000 0.978 210 S HN -0.056 nan 8.310 nan 0.000 0.479 211 P HA -0.005 nan 4.420 nan 0.000 0.220 211 P C 1.425 178.504 177.300 -0.368 0.000 1.148 211 P CA 0.947 63.673 63.100 -0.624 0.000 0.803 211 P CB -0.197 31.326 31.700 -0.294 0.000 0.782 212 G N -0.298 108.336 108.800 -0.277 0.000 2.471 212 G HA2 -0.140 3.816 3.960 -0.006 0.000 0.219 212 G HA3 -0.140 3.816 3.960 -0.006 0.000 0.219 212 G C 1.533 176.432 174.900 -0.001 0.000 1.125 212 G CA 0.465 45.515 45.100 -0.084 0.000 0.775 212 G HN 0.247 nan 8.290 nan 0.000 0.548 213 S N -0.216 115.468 115.700 -0.027 0.000 2.486 213 S HA 0.079 4.545 4.470 -0.006 0.000 0.220 213 S C 1.904 176.749 174.600 0.408 0.000 1.011 213 S CA -0.186 58.171 58.200 0.261 0.000 0.921 213 S CB -0.156 63.312 63.200 0.448 0.000 0.785 213 S HN 0.415 nan 8.310 nan 0.000 0.517 214 H N 2.362 121.523 119.070 0.152 0.000 2.390 214 H HA -0.052 4.501 4.556 -0.006 0.000 0.298 214 H C 2.315 177.614 175.328 -0.050 0.000 1.106 214 H CA 1.479 57.546 56.048 0.032 0.000 1.297 214 H CB -0.592 29.163 29.762 -0.011 0.000 1.375 214 H HN 0.510 nan 8.280 nan 0.000 0.509 215 S N -0.229 115.555 115.700 0.140 0.000 2.605 215 S HA 0.120 4.586 4.470 -0.006 0.000 0.217 215 S C 1.543 176.201 174.600 0.096 0.000 0.958 215 S CA -0.157 58.084 58.200 0.068 0.000 0.919 215 S CB -0.202 63.032 63.200 0.055 0.000 0.780 215 S HN 0.269 nan 8.310 nan 0.000 0.507 216 L N 0.810 122.155 121.223 0.202 0.000 2.607 216 L HA 0.459 4.795 4.340 -0.006 0.000 0.228 216 L C 0.053 177.138 176.870 0.358 0.000 1.123 216 L CA -0.207 54.778 54.840 0.243 0.000 0.890 216 L CB -0.243 41.964 42.059 0.247 0.000 1.103 216 L HN 0.535 nan 8.230 nan 0.000 0.468 217 F N -4.506 115.473 119.950 0.048 0.000 2.779 217 F HA 0.468 4.992 4.527 -0.006 0.000 0.316 217 F C 0.369 176.190 175.800 0.035 0.000 1.164 217 F CA -0.963 57.058 58.000 0.034 0.000 0.924 217 F CB 0.682 39.700 39.000 0.030 0.000 1.348 217 F HN -0.342 nan 8.300 nan 0.000 0.467 218 T N -0.638 113.928 114.554 0.020 0.000 3.044 218 T HA 0.391 4.737 4.350 -0.006 0.000 0.237 218 T C 0.501 175.148 174.700 -0.089 0.000 1.001 218 T CA 0.464 62.501 62.100 -0.106 0.000 1.160 218 T CB 0.121 68.961 68.868 -0.047 0.000 0.889 218 T HN 0.515 nan 8.240 nan 0.000 0.442 219 R N -0.400 120.183 120.500 0.137 0.000 2.831 219 R HA 0.774 5.110 4.340 -0.006 0.000 0.266 219 R C -1.903 174.657 176.300 0.433 0.000 1.051 219 R CA -0.737 55.472 56.100 0.182 0.000 0.943 219 R CB 2.079 32.309 30.300 -0.117 0.000 1.228 219 R HN 0.296 nan 8.270 nan 0.000 0.467 220 A N 1.460 124.542 122.820 0.435 0.000 2.486 220 A HA 0.659 4.975 4.320 -0.006 0.000 0.300 220 A C -1.232 176.489 177.584 0.228 0.000 1.048 220 A CA -0.597 51.640 52.037 0.333 0.000 0.696 220 A CB 1.181 20.359 19.000 0.296 0.000 1.278 220 A HN 0.538 nan 8.150 nan 0.000 0.405 221 I N 2.343 122.990 120.570 0.128 0.000 2.418 221 I HA 0.358 4.524 4.170 -0.006 0.000 0.287 221 I C -1.458 174.680 176.117 0.035 0.000 1.008 221 I CA -0.691 60.598 61.300 -0.018 0.000 1.104 221 I CB 1.814 39.820 38.000 0.009 0.000 1.264 221 I HN 0.387 nan 8.210 nan 0.000 0.438 222 L N 6.655 127.849 121.223 -0.048 0.000 2.318 222 L HA 0.397 4.733 4.340 -0.006 0.000 0.277 222 L C -0.255 176.619 176.870 0.007 0.000 1.008 222 L CA -0.344 54.458 54.840 -0.064 0.000 0.846 222 L CB 1.243 43.170 42.059 -0.221 0.000 1.220 222 L HN 0.502 nan 8.230 nan 0.000 0.423 223 Q N 1.853 121.728 119.800 0.124 0.000 2.360 223 Q HA 0.430 4.766 4.340 -0.006 0.000 0.254 223 Q C 0.092 176.155 176.000 0.106 0.000 0.975 223 Q CA -0.450 55.478 55.803 0.208 0.000 0.912 223 Q CB 0.976 29.923 28.738 0.348 0.000 1.212 223 Q HN 0.630 nan 8.270 nan 0.000 0.452 224 S N 1.423 117.166 115.700 0.072 0.000 3.524 224 S HA -0.137 4.330 4.470 -0.006 0.000 0.377 224 S C 0.004 174.804 174.600 0.332 0.000 0.949 224 S CA 0.494 58.791 58.200 0.162 0.000 1.264 224 S CB -1.190 62.064 63.200 0.090 0.000 0.918 224 S HN 1.020 nan 8.310 nan 0.000 0.517 225 G N -0.360 108.567 108.800 0.211 0.000 2.429 225 G HA2 0.578 4.534 3.960 -0.006 0.000 0.300 225 G HA3 0.578 4.534 3.960 -0.006 0.000 0.300 225 G C -0.994 173.845 174.900 -0.101 0.000 1.598 225 G CA 0.114 45.358 45.100 0.239 0.000 0.863 225 G HN 1.341 nan 8.290 nan 0.000 0.614 226 S N -0.445 115.087 115.700 -0.280 0.000 2.567 226 S HA 0.575 5.041 4.470 -0.006 0.000 0.270 226 S C 0.475 174.742 174.600 -0.557 0.000 1.152 226 S CA -0.271 57.598 58.200 -0.552 0.000 0.835 226 S CB 1.040 63.781 63.200 -0.765 0.000 1.115 226 S HN 1.885 nan 8.310 nan 0.000 0.459 227 F N 1.342 121.099 119.950 -0.322 0.000 2.502 227 F HA 0.112 4.635 4.527 -0.007 0.000 0.298 227 F C 1.610 177.249 175.800 -0.269 0.000 1.111 227 F CA 0.870 58.722 58.000 -0.245 0.000 1.445 227 F CB -0.463 38.478 39.000 -0.099 0.000 1.081 227 F HN 0.627 nan 8.300 nan 0.000 0.558 228 N N 1.619 119.809 118.700 -0.850 0.000 2.461 228 N HA 0.092 4.828 4.740 -0.006 0.000 0.188 228 N C 0.485 175.714 175.510 -0.468 0.000 1.134 228 N CA 0.545 53.324 53.050 -0.453 0.000 0.878 228 N CB -0.534 37.697 38.487 -0.427 0.000 0.972 228 N HN 0.372 nan 8.380 nan 0.000 0.456 229 A N 2.095 124.487 122.820 -0.712 0.000 2.445 229 A HA 0.277 4.593 4.320 -0.006 0.000 0.242 229 A C -1.005 176.004 177.584 -0.958 0.000 1.075 229 A CA -1.024 50.425 52.037 -0.981 0.000 0.777 229 A CB 0.338 18.409 19.000 -1.548 0.000 1.013 229 A HN 0.095 nan 8.150 nan 0.000 0.493 230 P HA -0.105 nan 4.420 nan 0.000 0.225 230 P C 0.975 178.055 177.300 -0.367 0.000 1.148 230 P CA 1.216 64.005 63.100 -0.518 0.000 0.779 230 P CB -0.081 31.261 31.700 -0.597 0.000 0.780 231 W N -1.525 119.587 121.300 -0.314 0.000 3.290 231 W HA 0.587 5.243 4.660 -0.006 0.000 0.287 231 W C 0.927 177.374 176.519 -0.119 0.000 1.288 231 W CA 0.282 57.494 57.345 -0.223 0.000 1.725 231 W CB -1.016 28.270 29.460 -0.290 0.000 1.103 231 W HN -0.098 nan 8.180 nan 0.000 0.670 232 A N 1.096 123.715 122.820 -0.336 0.000 2.115 232 A HA 0.331 4.647 4.320 -0.006 0.000 0.211 232 A C 0.625 178.133 177.584 -0.127 0.000 1.169 232 A CA 0.627 52.586 52.037 -0.130 0.000 0.787 232 A CB -0.234 18.484 19.000 -0.469 0.000 0.858 232 A HN -0.010 nan 8.150 nan 0.000 0.474 233 V N 1.105 120.937 119.914 -0.136 0.000 2.487 233 V HA 0.366 4.482 4.120 -0.006 0.000 0.298 233 V C -0.439 175.595 176.094 -0.098 0.000 1.028 233 V CA -0.615 61.608 62.300 -0.128 0.000 0.860 233 V CB 1.585 33.364 31.823 -0.073 0.000 0.991 233 V HN 0.240 nan 8.190 nan 0.000 0.427 234 T N 3.173 117.661 114.554 -0.111 0.000 2.817 234 T HA 0.334 4.681 4.350 -0.006 0.000 0.293 234 T C 0.489 175.169 174.700 -0.034 0.000 0.964 234 T CA -0.339 61.717 62.100 -0.073 0.000 1.085 234 T CB 1.032 69.846 68.868 -0.090 0.000 0.921 234 T HN 0.905 nan 8.240 nan 0.000 0.502 235 S N 3.118 118.815 115.700 -0.004 0.000 2.579 235 S HA 0.139 4.605 4.470 -0.006 0.000 0.275 235 S C 1.367 175.992 174.600 0.042 0.000 1.345 235 S CA -0.823 57.394 58.200 0.029 0.000 1.031 235 S CB 0.326 63.563 63.200 0.063 0.000 0.892 235 S HN 0.381 nan 8.310 nan 0.000 0.529 236 L N 1.246 122.500 121.223 0.053 0.000 2.081 236 L HA -0.070 4.266 4.340 -0.006 0.000 0.212 236 L C 2.169 179.083 176.870 0.073 0.000 1.080 236 L CA 1.826 56.699 54.840 0.055 0.000 0.754 236 L CB -1.742 40.351 42.059 0.057 0.000 0.893 236 L HN 0.924 nan 8.230 nan 0.000 0.433 237 Y N 0.524 120.818 120.300 -0.009 0.000 2.114 237 Y HA -0.253 4.293 4.550 -0.006 0.000 0.284 237 Y C 2.542 178.432 175.900 -0.016 0.000 1.143 237 Y CA 1.974 60.068 58.100 -0.009 0.000 1.135 237 Y CB -0.087 38.368 38.460 -0.008 0.000 0.980 237 Y HN 0.278 nan 8.280 nan 0.000 0.499 238 E N 0.040 120.292 120.200 0.087 0.000 2.038 238 E HA -0.279 4.067 4.350 -0.006 0.000 0.195 238 E C 2.372 178.905 176.600 -0.112 0.000 1.000 238 E CA 1.215 57.598 56.400 -0.028 0.000 0.803 238 E CB -0.437 29.265 29.700 0.004 0.000 0.750 238 E HN 0.586 nan 8.360 nan 0.000 0.448 239 A N 1.764 124.543 122.820 -0.069 0.000 1.873 239 A HA -0.271 4.046 4.320 -0.006 0.000 0.218 239 A C 2.068 179.619 177.584 -0.055 0.000 1.193 239 A CA 1.798 53.802 52.037 -0.054 0.000 0.629 239 A CB -0.588 18.414 19.000 0.002 0.000 0.826 239 A HN 0.118 nan 8.150 nan 0.000 0.447 240 R N -0.746 119.706 120.500 -0.080 0.000 2.094 240 R HA -0.208 4.129 4.340 -0.006 0.000 0.239 240 R C 2.079 178.298 176.300 -0.135 0.000 1.137 240 R CA 1.701 57.743 56.100 -0.098 0.000 0.943 240 R CB -0.887 29.338 30.300 -0.124 0.000 0.850 240 R HN 0.614 nan 8.270 nan 0.000 0.433 241 N N 0.596 119.152 118.700 -0.240 0.000 2.192 241 N HA -0.159 4.577 4.740 -0.006 0.000 0.188 241 N C 1.691 177.134 175.510 -0.113 0.000 1.013 241 N CA 1.373 54.288 53.050 -0.225 0.000 0.863 241 N CB 0.069 38.374 38.487 -0.304 0.000 0.990 241 N HN 0.204 nan 8.380 nan 0.000 0.430 242 R N -1.569 118.870 120.500 -0.102 0.000 2.105 242 R HA 0.135 4.471 4.340 -0.006 0.000 0.214 242 R C 1.953 178.315 176.300 0.104 0.000 1.091 242 R CA 1.196 57.250 56.100 -0.076 0.000 1.007 242 R CB -0.399 29.720 30.300 -0.302 0.000 0.912 242 R HN 0.138 nan 8.270 nan 0.000 0.450 243 T N 2.029 116.663 114.554 0.133 0.000 2.665 243 T HA -0.145 4.201 4.350 -0.006 0.000 0.268 243 T C 1.793 176.523 174.700 0.049 0.000 1.035 243 T CA 1.322 63.499 62.100 0.127 0.000 1.151 243 T CB -0.153 68.742 68.868 0.045 0.000 0.862 243 T HN 0.121 nan 8.240 nan 0.000 0.438 244 L N 0.698 121.927 121.223 0.010 0.000 2.179 244 L HA -0.008 4.328 4.340 -0.006 0.000 0.208 244 L C 2.436 179.317 176.870 0.019 0.000 1.096 244 L CA 0.725 55.564 54.840 -0.003 0.000 0.779 244 L CB -0.541 41.501 42.059 -0.028 0.000 0.922 244 L HN 0.167 nan 8.230 nan 0.000 0.443 245 N N 0.302 119.020 118.700 0.030 0.000 2.244 245 N HA -0.155 4.581 4.740 -0.006 0.000 0.183 245 N C 1.747 177.314 175.510 0.095 0.000 1.016 245 N CA 0.916 53.999 53.050 0.054 0.000 0.866 245 N CB -0.257 38.259 38.487 0.049 0.000 0.980 245 N HN 0.134 nan 8.380 nan 0.000 0.430 246 L N 0.993 122.294 121.223 0.130 0.000 2.046 246 L HA 0.008 4.344 4.340 -0.006 0.000 0.208 246 L C 2.048 178.966 176.870 0.079 0.000 1.077 246 L CA 1.273 56.198 54.840 0.141 0.000 0.747 246 L CB -0.940 41.214 42.059 0.159 0.000 0.896 246 L HN 0.125 nan 8.230 nan 0.000 0.432 247 A N -0.823 122.024 122.820 0.046 0.000 1.877 247 A HA -0.262 4.055 4.320 -0.006 0.000 0.216 247 A C 2.458 180.061 177.584 0.031 0.000 1.186 247 A CA 1.963 54.014 52.037 0.024 0.000 0.620 247 A CB -0.615 18.388 19.000 0.005 0.000 0.822 247 A HN 0.424 nan 8.150 nan 0.000 0.443 248 K N -0.488 119.931 120.400 0.033 0.000 2.063 248 K HA -0.094 4.222 4.320 -0.006 0.000 0.208 248 K C 1.778 178.400 176.600 0.036 0.000 1.048 248 K CA 1.554 57.858 56.287 0.029 0.000 0.928 248 K CB -0.308 32.207 32.500 0.025 0.000 0.713 248 K HN 0.481 nan 8.250 nan 0.000 0.442 249 L N 0.341 121.598 121.223 0.057 0.000 2.376 249 L HA -0.075 4.262 4.340 -0.006 0.000 0.219 249 L C 1.792 178.698 176.870 0.060 0.000 1.133 249 L CA 1.231 56.109 54.840 0.063 0.000 0.816 249 L CB -0.098 42.030 42.059 0.115 0.000 0.933 249 L HN 0.299 nan 8.230 nan 0.000 0.449 250 T N -4.470 110.119 114.554 0.058 0.000 3.129 250 T HA 0.300 4.646 4.350 -0.006 0.000 0.267 250 T C 1.255 175.978 174.700 0.038 0.000 1.018 250 T CA 0.183 62.315 62.100 0.054 0.000 0.903 250 T CB 0.523 69.428 68.868 0.062 0.000 1.067 250 T HN 0.291 nan 8.240 nan 0.000 0.549 251 G N 0.532 109.350 108.800 0.031 0.000 2.323 251 G HA2 -0.271 3.686 3.960 -0.006 0.000 0.292 251 G HA3 -0.271 3.686 3.960 -0.006 0.000 0.292 251 G C 0.567 175.480 174.900 0.022 0.000 1.040 251 G CA 0.141 45.254 45.100 0.023 0.000 0.942 251 G HN 0.644 nan 8.290 nan 0.000 0.506 252 c N 0.589 119.203 118.600 0.023 0.000 3.104 252 c HA 0.452 5.018 4.570 -0.006 0.000 0.284 252 c C 1.723 175.820 174.090 0.011 0.000 1.326 252 c CA 0.104 56.444 56.329 0.019 0.000 1.725 252 c CB -0.889 41.633 42.510 0.021 0.000 2.156 252 c HN 0.682 nan 8.230 nan 0.000 0.638 253 S N 1.698 117.404 115.700 0.011 0.000 2.561 253 S HA 0.305 4.772 4.470 -0.006 0.000 0.294 253 S C 0.299 174.902 174.600 0.004 0.000 1.294 253 S CA 0.709 58.912 58.200 0.006 0.000 1.055 253 S CB 0.547 63.751 63.200 0.007 0.000 0.819 253 S HN 0.546 nan 8.310 nan 0.000 0.503 254 R N 0.668 121.169 120.500 0.001 0.000 2.902 254 R HA 0.364 4.701 4.340 -0.006 0.000 0.264 254 R C 0.254 176.553 176.300 -0.000 0.000 1.059 254 R CA -0.647 55.454 56.100 0.001 0.000 0.935 254 R CB 0.200 30.500 30.300 0.001 0.000 1.325 254 R HN 0.585 nan 8.270 nan 0.000 0.438 255 E N -0.675 119.525 120.200 0.000 0.000 2.391 255 E HA 0.120 4.466 4.350 -0.006 0.000 0.206 255 E C -0.230 176.369 176.600 -0.001 0.000 0.851 255 E CA 0.183 56.583 56.400 -0.000 0.000 1.059 255 E CB -0.094 29.607 29.700 0.002 0.000 1.065 255 E HN 0.325 nan 8.360 nan 0.000 0.512 256 N N 2.138 120.838 118.700 -0.001 0.000 2.408 256 N HA 0.014 4.751 4.740 -0.006 0.000 0.257 256 N C 0.455 175.962 175.510 -0.005 0.000 1.064 256 N CA 0.129 53.178 53.050 -0.001 0.000 0.952 256 N CB 1.081 39.569 38.487 0.001 0.000 1.093 256 N HN 0.102 nan 8.380 nan 0.000 0.490 257 E N 1.687 121.882 120.200 -0.008 0.000 2.118 257 E HA -0.137 4.209 4.350 -0.006 0.000 0.195 257 E C 0.837 177.427 176.600 -0.016 0.000 0.992 257 E CA 1.410 57.801 56.400 -0.015 0.000 0.804 257 E CB 0.144 29.834 29.700 -0.016 0.000 0.741 257 E HN 0.640 nan 8.360 nan 0.000 0.458 258 T N 1.370 115.919 114.554 -0.008 0.000 3.035 258 T HA -0.073 4.273 4.350 -0.006 0.000 0.268 258 T C 1.449 176.150 174.700 0.002 0.000 1.109 258 T CA 0.690 62.789 62.100 -0.003 0.000 1.119 258 T CB 0.008 68.877 68.868 0.002 0.000 0.900 258 T HN 0.170 nan 8.240 nan 0.000 0.503 259 E N 1.082 121.283 120.200 0.001 0.000 2.112 259 E HA 0.065 4.411 4.350 -0.006 0.000 0.190 259 E C 2.256 178.859 176.600 0.005 0.000 0.979 259 E CA 0.497 56.900 56.400 0.006 0.000 0.814 259 E CB -0.169 29.534 29.700 0.005 0.000 0.762 259 E HN 0.492 nan 8.360 nan 0.000 0.460 260 I N 1.541 122.107 120.570 -0.006 0.000 2.127 260 I HA -0.272 3.894 4.170 -0.006 0.000 0.241 260 I C 2.380 178.486 176.117 -0.018 0.000 1.075 260 I CA 1.003 62.294 61.300 -0.015 0.000 1.334 260 I CB -0.403 37.579 38.000 -0.031 0.000 1.040 260 I HN 0.066 nan 8.210 nan 0.000 0.405 261 I N 0.734 121.285 120.570 -0.033 0.000 2.264 261 I HA -0.269 3.897 4.170 -0.006 0.000 0.248 261 I C 2.506 178.662 176.117 0.065 0.000 1.111 261 I CA 1.464 62.748 61.300 -0.027 0.000 1.382 261 I CB -1.372 36.610 38.000 -0.030 0.000 1.060 261 I HN 0.295 nan 8.210 nan 0.000 0.418 262 K N 0.589 121.018 120.400 0.048 0.000 2.057 262 K HA -0.200 4.116 4.320 -0.006 0.000 0.207 262 K C 2.408 179.045 176.600 0.062 0.000 1.049 262 K CA 1.392 57.713 56.287 0.057 0.000 0.931 262 K CB -0.633 31.888 32.500 0.034 0.000 0.714 262 K HN 0.396 nan 8.250 nan 0.000 0.440 263 c N 1.014 119.642 118.600 0.047 0.000 2.429 263 c HA -0.057 4.509 4.570 -0.006 0.000 0.277 263 c C 2.735 176.869 174.090 0.074 0.000 1.262 263 c CA 0.611 56.968 56.329 0.047 0.000 1.733 263 c CB -1.017 41.512 42.510 0.031 0.000 2.010 263 c HN 0.466 nan 8.230 nan 0.000 0.483 264 L N 0.251 121.536 121.223 0.103 0.000 2.201 264 L HA -0.050 4.286 4.340 -0.006 0.000 0.212 264 L C 2.829 179.858 176.870 0.265 0.000 1.105 264 L CA 1.217 56.167 54.840 0.183 0.000 0.775 264 L CB -0.579 41.572 42.059 0.153 0.000 0.913 264 L HN 0.331 nan 8.230 nan 0.000 0.440 265 R N -0.240 120.400 120.500 0.234 0.000 2.307 265 R HA -0.023 4.314 4.340 -0.006 0.000 0.199 265 R C 1.220 177.547 176.300 0.044 0.000 1.000 265 R CA 0.391 56.559 56.100 0.112 0.000 1.023 265 R CB -0.179 30.176 30.300 0.092 0.000 0.908 265 R HN 0.420 nan 8.270 nan 0.000 0.473 266 N N 0.314 119.048 118.700 0.055 0.000 2.388 266 N HA -0.007 4.729 4.740 -0.006 0.000 0.176 266 N C 0.029 175.557 175.510 0.030 0.000 1.062 266 N CA 0.463 53.532 53.050 0.031 0.000 0.895 266 N CB 0.320 38.825 38.487 0.030 0.000 1.018 266 N HN -0.067 nan 8.380 nan 0.000 0.456 267 K N 1.976 122.404 120.400 0.048 0.000 2.414 267 K HA -0.025 4.291 4.320 -0.006 0.000 0.272 267 K C 0.023 176.638 176.600 0.025 0.000 0.993 267 K CA -0.035 56.279 56.287 0.044 0.000 0.964 267 K CB 0.278 32.819 32.500 0.067 0.000 0.925 267 K HN 0.208 nan 8.250 nan 0.000 0.487 268 D N 2.490 122.902 120.400 0.021 0.000 2.345 268 D HA 0.096 4.732 4.640 -0.006 0.000 0.247 268 D C -1.559 174.746 176.300 0.008 0.000 1.108 268 D CA -1.529 52.476 54.000 0.009 0.000 0.894 268 D CB 0.961 41.767 40.800 0.011 0.000 1.203 268 D HN 0.066 nan 8.370 nan 0.000 0.430 269 P HA -0.236 nan 4.420 nan 0.000 0.218 269 P C 1.140 178.446 177.300 0.009 0.000 1.152 269 P CA 1.248 64.340 63.100 -0.013 0.000 0.857 269 P CB 0.143 31.828 31.700 -0.025 0.000 0.787 270 Q N -0.265 119.545 119.800 0.016 0.000 2.167 270 Q HA -0.143 4.193 4.340 -0.006 0.000 0.202 270 Q C 2.052 178.078 176.000 0.043 0.000 0.970 270 Q CA 1.310 57.129 55.803 0.027 0.000 0.855 270 Q CB -0.291 28.462 28.738 0.025 0.000 0.911 270 Q HN 0.533 nan 8.270 nan 0.000 0.438 271 E N 0.132 120.360 120.200 0.046 0.000 2.072 271 E HA -0.106 4.241 4.350 -0.006 0.000 0.190 271 E C 2.103 178.749 176.600 0.077 0.000 0.982 271 E CA 0.580 57.018 56.400 0.062 0.000 0.803 271 E CB -0.139 29.595 29.700 0.056 0.000 0.755 271 E HN 0.268 nan 8.360 nan 0.000 0.453 272 I N 1.386 121.996 120.570 0.066 0.000 2.179 272 I HA -0.291 3.876 4.170 -0.006 0.000 0.242 272 I C 2.426 178.580 176.117 0.061 0.000 1.088 272 I CA 1.147 62.489 61.300 0.070 0.000 1.357 272 I CB -0.157 37.886 38.000 0.071 0.000 1.051 272 I HN 0.096 nan 8.210 nan 0.000 0.409 273 L N -0.489 120.763 121.223 0.048 0.000 2.046 273 L HA -0.243 4.093 4.340 -0.006 0.000 0.208 273 L C 2.375 179.275 176.870 0.050 0.000 1.077 273 L CA 0.942 55.807 54.840 0.043 0.000 0.747 273 L CB -0.442 41.637 42.059 0.034 0.000 0.896 273 L HN 0.271 nan 8.230 nan 0.000 0.432 274 L N -0.420 120.850 121.223 0.078 0.000 2.217 274 L HA -0.139 4.197 4.340 -0.006 0.000 0.211 274 L C 1.817 178.808 176.870 0.200 0.000 1.107 274 L CA 1.666 56.576 54.840 0.118 0.000 0.783 274 L CB -1.086 41.055 42.059 0.137 0.000 0.919 274 L HN 0.286 nan 8.230 nan 0.000 0.442 275 N N -1.338 117.484 118.700 0.203 0.000 2.373 275 N HA -0.050 4.686 4.740 -0.006 0.000 0.181 275 N C 1.506 177.127 175.510 0.185 0.000 1.082 275 N CA 0.033 53.276 53.050 0.322 0.000 0.885 275 N CB 0.191 38.840 38.487 0.271 0.000 0.977 275 N HN 0.291 nan 8.380 nan 0.000 0.462 276 E N 0.980 121.241 120.200 0.103 0.000 2.114 276 E HA -0.240 4.106 4.350 -0.006 0.000 0.199 276 E C 1.820 178.441 176.600 0.036 0.000 1.008 276 E CA 1.282 57.792 56.400 0.184 0.000 0.810 276 E CB -0.062 29.736 29.700 0.163 0.000 0.739 276 E HN 0.447 nan 8.360 nan 0.000 0.456 277 A N 0.057 122.701 122.820 -0.294 0.000 2.067 277 A HA -0.118 4.198 4.320 -0.006 0.000 0.219 277 A C 1.297 178.576 177.584 -0.507 0.000 1.158 277 A CA 0.909 52.653 52.037 -0.489 0.000 0.661 277 A CB -0.365 18.212 19.000 -0.704 0.000 0.801 277 A HN 0.240 nan 8.150 nan 0.000 0.452 278 F N -0.729 119.262 119.950 0.068 0.000 2.639 278 F HA 0.175 4.698 4.527 -0.006 0.000 0.302 278 F C 1.619 177.442 175.800 0.039 0.000 1.097 278 F CA 0.081 58.107 58.000 0.044 0.000 1.294 278 F CB -0.380 38.645 39.000 0.042 0.000 1.027 278 F HN 0.054 nan 8.300 nan 0.000 0.550 279 V N -2.377 117.623 119.914 0.143 0.000 3.383 279 V HA 0.054 4.171 4.120 -0.006 0.000 0.272 279 V C 0.398 176.501 176.094 0.014 0.000 1.181 279 V CA 0.318 62.672 62.300 0.090 0.000 1.171 279 V CB -1.023 30.838 31.823 0.064 0.000 0.800 279 V HN 0.066 nan 8.190 nan 0.000 0.515 280 V N 1.254 121.184 119.914 0.026 0.000 2.789 280 V HA 0.471 4.587 4.120 -0.006 0.000 0.311 280 V C -1.134 174.988 176.094 0.047 0.000 1.073 280 V CA -0.960 61.341 62.300 0.002 0.000 0.921 280 V CB 2.517 34.314 31.823 -0.043 0.000 1.009 280 V HN 0.200 nan 8.190 nan 0.000 0.426 281 P HA 0.066 nan 4.420 nan 0.000 0.211 281 P C 0.291 177.620 177.300 0.048 0.000 1.191 281 P CA 1.414 64.545 63.100 0.052 0.000 0.909 281 P CB 0.029 31.756 31.700 0.044 0.000 0.770 282 Y N -0.078 120.242 120.300 0.034 0.000 2.374 282 Y HA 0.655 5.201 4.550 -0.006 0.000 0.322 282 Y C 0.843 176.745 175.900 0.004 0.000 1.275 282 Y CA -0.760 57.354 58.100 0.024 0.000 1.307 282 Y CB 0.896 39.372 38.460 0.027 0.000 1.282 282 Y HN 0.323 nan 8.280 nan 0.000 0.509 283 G N -0.317 108.473 108.800 -0.017 0.000 2.684 283 G HA2 0.678 4.634 3.960 -0.006 0.000 0.290 283 G HA3 0.678 4.634 3.960 -0.006 0.000 0.290 283 G C -0.469 174.379 174.900 -0.087 0.000 1.425 283 G CA -0.054 45.019 45.100 -0.045 0.000 0.822 283 G HN 1.603 nan 8.290 nan 0.000 0.482 284 T N -2.513 111.974 114.554 -0.113 0.000 2.838 284 T HA 0.663 5.010 4.350 -0.006 0.000 0.292 284 T C -2.369 172.235 174.700 -0.161 0.000 1.113 284 T CA -1.550 60.432 62.100 -0.198 0.000 1.008 284 T CB 2.210 70.944 68.868 -0.225 0.000 1.259 284 T HN 0.125 nan 8.240 nan 0.000 0.520 285 P HA 0.199 nan 4.420 nan 0.000 0.231 285 P C 0.610 177.860 177.300 -0.082 0.000 1.158 285 P CA 0.488 63.554 63.100 -0.057 0.000 0.763 285 P CB -0.079 31.672 31.700 0.086 0.000 0.805 286 L N -2.240 118.892 121.223 -0.151 0.000 2.857 286 L HA 0.190 4.526 4.340 -0.006 0.000 0.249 286 L C 0.650 177.409 176.870 -0.185 0.000 1.172 286 L CA 0.140 54.810 54.840 -0.284 0.000 0.980 286 L CB -0.078 41.737 42.059 -0.407 0.000 1.299 286 L HN -0.298 nan 8.230 nan 0.000 0.535 287 S N 0.201 115.830 115.700 -0.119 0.000 2.575 287 S HA 0.105 4.572 4.470 -0.006 0.000 0.295 287 S C 0.209 174.776 174.600 -0.056 0.000 1.267 287 S CA 0.090 58.245 58.200 -0.076 0.000 1.074 287 S CB 0.468 63.623 63.200 -0.074 0.000 0.829 287 S HN -0.019 nan 8.310 nan 0.000 0.497 288 V N 6.174 126.076 119.914 -0.020 0.000 2.250 288 V HA 0.161 4.278 4.120 -0.006 0.000 0.268 288 V C 0.830 176.893 176.094 -0.052 0.000 1.043 288 V CA -0.612 61.698 62.300 0.016 0.000 0.814 288 V CB 0.480 32.373 31.823 0.117 0.000 1.072 288 V HN 0.858 nan 8.190 nan 0.000 0.451 289 N N 3.121 121.776 118.700 -0.075 0.000 2.043 289 N HA -0.082 4.654 4.740 -0.006 0.000 0.193 289 N C -0.165 175.036 175.510 -0.515 0.000 1.037 289 N CA 1.526 54.414 53.050 -0.270 0.000 0.851 289 N CB 0.013 38.384 38.487 -0.194 0.000 1.027 289 N HN 0.521 nan 8.380 nan 0.000 0.422 290 F N 0.010 119.971 119.950 0.018 0.000 2.430 290 F HA 0.517 5.041 4.527 -0.006 0.000 0.362 290 F C 0.673 176.420 175.800 -0.088 0.000 1.103 290 F CA -0.794 57.228 58.000 0.037 0.000 1.045 290 F CB 1.542 40.624 39.000 0.138 0.000 1.276 290 F HN -0.092 nan 8.300 nan 0.000 0.444 291 G N 2.243 110.952 108.800 -0.152 0.000 3.176 291 G HA2 0.656 4.613 3.960 -0.006 0.000 0.272 291 G HA3 0.656 4.613 3.960 -0.006 0.000 0.272 291 G C -3.108 171.426 174.900 -0.611 0.000 1.349 291 G CA -2.096 42.569 45.100 -0.726 0.000 0.953 291 G HN 0.093 nan 8.290 nan 0.000 0.559 292 P HA 0.218 nan 4.420 nan 0.000 0.266 292 P C -0.085 177.111 177.300 -0.172 0.000 1.193 292 P CA 0.388 63.245 63.100 -0.405 0.000 0.770 292 P CB 0.749 32.140 31.700 -0.515 0.000 0.836 293 T N -1.883 112.638 114.554 -0.054 0.000 2.865 293 T HA 0.422 4.768 4.350 -0.006 0.000 0.294 293 T C -0.468 174.232 174.700 -0.001 0.000 1.119 293 T CA -0.873 61.214 62.100 -0.022 0.000 1.007 293 T CB 0.596 69.478 68.868 0.023 0.000 1.225 293 T HN -0.013 nan 8.240 nan 0.000 0.515 294 V N 3.032 122.948 119.914 0.004 0.000 2.387 294 V HA 0.201 4.317 4.120 -0.006 0.000 0.260 294 V C 0.666 176.784 176.094 0.040 0.000 1.054 294 V CA -0.150 62.158 62.300 0.015 0.000 0.967 294 V CB -0.081 31.743 31.823 0.002 0.000 1.036 294 V HN 1.058 nan 8.190 nan 0.000 0.481 295 D N 2.857 123.299 120.400 0.070 0.000 2.369 295 D HA 0.134 4.770 4.640 -0.006 0.000 0.211 295 D C 1.464 177.816 176.300 0.087 0.000 1.077 295 D CA 0.537 54.593 54.000 0.093 0.000 0.842 295 D CB 0.401 41.292 40.800 0.151 0.000 0.947 295 D HN 0.750 nan 8.370 nan 0.000 0.509 296 G N 0.707 109.546 108.800 0.066 0.000 2.179 296 G HA2 -0.314 3.643 3.960 -0.006 0.000 0.257 296 G HA3 -0.314 3.643 3.960 -0.006 0.000 0.257 296 G C 0.309 175.253 174.900 0.074 0.000 1.010 296 G CA 0.803 45.932 45.100 0.049 0.000 0.736 296 G HN 0.538 nan 8.290 nan 0.000 0.513 297 D N -1.785 118.692 120.400 0.129 0.000 2.957 297 D HA 0.151 4.788 4.640 -0.006 0.000 0.175 297 D C 1.640 178.064 176.300 0.207 0.000 1.502 297 D CA 0.439 54.562 54.000 0.204 0.000 1.524 297 D CB -0.685 40.302 40.800 0.311 0.000 1.300 297 D HN 0.121 nan 8.370 nan 0.000 0.241 298 F N 1.349 121.365 119.950 0.111 0.000 2.134 298 F HA 0.216 4.739 4.527 -0.006 0.000 0.299 298 F C 0.655 176.351 175.800 -0.173 0.000 1.097 298 F CA 1.105 58.971 58.000 -0.223 0.000 1.264 298 F CB 0.350 38.965 39.000 -0.642 0.000 1.001 298 F HN -0.023 nan 8.300 nan 0.000 0.479 299 L N 0.953 122.206 121.223 0.051 0.000 2.372 299 L HA 0.201 4.537 4.340 -0.006 0.000 0.273 299 L C 0.928 177.784 176.870 -0.023 0.000 0.989 299 L CA -0.101 54.730 54.840 -0.015 0.000 0.841 299 L CB 1.540 43.636 42.059 0.062 0.000 1.225 299 L HN 0.129 nan 8.230 nan 0.000 0.414 300 T N -1.217 113.299 114.554 -0.064 0.000 3.081 300 T HA 0.112 4.459 4.350 -0.006 0.000 0.255 300 T C 0.320 175.001 174.700 -0.032 0.000 1.113 300 T CA 0.164 62.241 62.100 -0.039 0.000 1.082 300 T CB 0.283 69.119 68.868 -0.054 0.000 0.939 300 T HN 0.487 nan 8.240 nan 0.000 0.506 301 D N -0.468 119.906 120.400 -0.042 0.000 2.692 301 D HA 0.316 4.952 4.640 -0.006 0.000 0.290 301 D C -1.072 175.203 176.300 -0.041 0.000 1.281 301 D CA -0.815 53.165 54.000 -0.032 0.000 0.804 301 D CB 1.482 42.263 40.800 -0.032 0.000 1.331 301 D HN 0.119 nan 8.370 nan 0.000 0.432 302 M N 2.210 121.795 119.600 -0.024 0.000 2.252 302 M HA 0.141 4.618 4.480 -0.006 0.000 0.348 302 M C -1.349 174.924 176.300 -0.044 0.000 1.334 302 M CA -0.939 54.346 55.300 -0.024 0.000 1.071 302 M CB 0.706 33.307 32.600 0.002 0.000 1.763 302 M HN 0.206 nan 8.290 nan 0.000 0.452 303 P HA -0.172 nan 4.420 nan 0.000 0.221 303 P C 0.535 177.829 177.300 -0.010 0.000 1.150 303 P CA 1.281 64.229 63.100 -0.254 0.000 0.800 303 P CB -0.215 31.073 31.700 -0.687 0.000 0.787 304 D N 0.728 121.228 120.400 0.166 0.000 2.149 304 D HA -0.177 4.459 4.640 -0.006 0.000 0.198 304 D C 2.030 178.426 176.300 0.160 0.000 0.990 304 D CA 1.054 55.198 54.000 0.240 0.000 0.839 304 D CB -1.137 39.761 40.800 0.165 0.000 0.948 304 D HN 0.253 nan 8.370 nan 0.000 0.460 305 I N 0.540 121.163 120.570 0.090 0.000 2.202 305 I HA -0.216 3.950 4.170 -0.006 0.000 0.242 305 I C 2.758 178.913 176.117 0.064 0.000 1.091 305 I CA 0.615 61.955 61.300 0.066 0.000 1.368 305 I CB -0.357 37.663 38.000 0.032 0.000 1.058 305 I HN -0.060 nan 8.210 nan 0.000 0.410 306 L N 0.242 121.489 121.223 0.040 0.000 1.990 306 L HA -0.268 4.069 4.340 -0.006 0.000 0.213 306 L C 2.690 179.656 176.870 0.159 0.000 1.072 306 L CA 1.252 56.118 54.840 0.044 0.000 0.755 306 L CB -0.795 41.267 42.059 0.005 0.000 0.889 306 L HN 0.283 nan 8.230 nan 0.000 0.432 307 L N 0.421 121.801 121.223 0.261 0.000 1.989 307 L HA -0.236 4.101 4.340 -0.006 0.000 0.211 307 L C 2.551 179.612 176.870 0.319 0.000 1.071 307 L CA 2.015 57.071 54.840 0.360 0.000 0.749 307 L CB -0.600 41.717 42.059 0.430 0.000 0.890 307 L HN 0.241 nan 8.230 nan 0.000 0.431 308 E N -0.450 119.898 120.200 0.246 0.000 2.160 308 E HA -0.182 4.165 4.350 -0.006 0.000 0.195 308 E C 1.647 178.432 176.600 0.308 0.000 0.991 308 E CA 1.550 58.104 56.400 0.257 0.000 0.810 308 E CB -0.233 29.573 29.700 0.177 0.000 0.742 308 E HN 0.580 nan 8.360 nan 0.000 0.466 309 L N -1.129 120.176 121.223 0.138 0.000 2.818 309 L HA 0.360 4.696 4.340 -0.006 0.000 0.243 309 L C 1.013 177.588 176.870 -0.492 0.000 1.185 309 L CA 0.136 54.998 54.840 0.036 0.000 0.988 309 L CB 0.269 42.327 42.059 -0.002 0.000 1.292 309 L HN 0.376 nan 8.230 nan 0.000 0.519 310 G N 0.187 108.450 108.800 -0.895 0.000 2.147 310 G HA2 -0.243 3.713 3.960 -0.006 0.000 0.244 310 G HA3 -0.243 3.713 3.960 -0.006 0.000 0.244 310 G C 0.260 174.184 174.900 -1.628 0.000 1.005 310 G CA -0.182 43.538 45.100 -2.300 0.000 0.713 310 G HN 0.337 nan 8.290 nan 0.000 0.515 311 Q N -0.293 119.030 119.800 -0.796 0.000 2.963 311 Q HA 0.568 4.904 4.340 -0.006 0.000 0.262 311 Q C 0.047 175.931 176.000 -0.193 0.000 1.318 311 Q CA 0.044 55.566 55.803 -0.469 0.000 1.089 311 Q CB -0.434 28.176 28.738 -0.213 0.000 1.424 311 Q HN 0.848 nan 8.270 nan 0.000 0.560 312 F N -2.381 117.465 119.950 -0.173 0.000 2.779 312 F HA 0.481 5.004 4.527 -0.007 0.000 0.316 312 F C -0.354 175.317 175.800 -0.215 0.000 1.164 312 F CA -1.711 56.263 58.000 -0.043 0.000 0.924 312 F CB 0.971 40.009 39.000 0.064 0.000 1.348 312 F HN -0.158 nan 8.300 nan 0.000 0.467 313 K N 1.768 122.109 120.400 -0.098 0.000 2.451 313 K HA 0.128 4.444 4.320 -0.006 0.000 0.280 313 K C -0.739 175.922 176.600 0.102 0.000 1.020 313 K CA -0.350 55.742 56.287 -0.325 0.000 1.008 313 K CB 0.510 32.682 32.500 -0.547 0.000 0.917 313 K HN 0.507 nan 8.250 nan 0.000 0.478 314 K N 3.382 123.753 120.400 -0.048 0.000 2.273 314 K HA 0.167 4.483 4.320 -0.006 0.000 0.287 314 K C -0.170 176.485 176.600 0.092 0.000 1.089 314 K CA -0.117 56.182 56.287 0.020 0.000 0.909 314 K CB 1.244 33.699 32.500 -0.075 0.000 1.123 314 K HN 0.789 nan 8.250 nan 0.000 0.473 315 T N 1.225 115.936 114.554 0.261 0.000 2.677 315 T HA 0.199 4.545 4.350 -0.006 0.000 0.305 315 T C -1.507 173.413 174.700 0.365 0.000 1.569 315 T CA -0.682 61.546 62.100 0.214 0.000 0.984 315 T CB 0.843 69.773 68.868 0.103 0.000 1.629 315 T HN 0.377 nan 8.240 nan 0.000 0.494 316 Q N 1.245 121.212 119.800 0.279 0.000 2.260 316 Q HA 0.726 5.062 4.340 -0.006 0.000 0.242 316 Q C -0.043 176.230 176.000 0.455 0.000 0.932 316 Q CA -0.393 55.643 55.803 0.388 0.000 0.891 316 Q CB 0.899 29.874 28.738 0.395 0.000 1.222 316 Q HN 0.657 nan 8.270 nan 0.000 0.453 317 I N -1.638 119.142 120.570 0.350 0.000 2.785 317 I HA 0.655 4.821 4.170 -0.006 0.000 0.302 317 I C -1.352 174.722 176.117 -0.073 0.000 1.069 317 I CA -1.365 60.011 61.300 0.127 0.000 1.045 317 I CB 1.795 39.653 38.000 -0.237 0.000 1.236 317 I HN 0.492 nan 8.210 nan 0.000 0.429 318 L N 5.408 126.369 121.223 -0.437 0.000 2.376 318 L HA 0.755 5.091 4.340 -0.006 0.000 0.275 318 L C -1.525 175.150 176.870 -0.324 0.000 0.987 318 L CA -0.585 53.883 54.840 -0.620 0.000 0.828 318 L CB 1.707 42.900 42.059 -1.443 0.000 1.249 318 L HN 0.576 nan 8.230 nan 0.000 0.409 319 V N 3.726 123.498 119.914 -0.238 0.000 2.709 319 V HA 0.927 5.043 4.120 -0.006 0.000 0.308 319 V C 0.141 175.649 176.094 -0.977 0.000 1.062 319 V CA -0.366 61.706 62.300 -0.381 0.000 0.901 319 V CB 1.663 33.358 31.823 -0.213 0.000 1.003 319 V HN 0.885 nan 8.190 nan 0.000 0.425 320 G N 1.693 109.734 108.800 -1.265 0.000 2.684 320 G HA2 0.863 4.819 3.960 -0.006 0.000 0.290 320 G HA3 0.863 4.819 3.960 -0.006 0.000 0.290 320 G C -1.317 172.913 174.900 -1.118 0.000 1.425 320 G CA -0.120 43.571 45.100 -2.350 0.000 0.822 320 G HN 1.385 nan 8.290 nan 0.000 0.482 321 V N -2.408 117.122 119.914 -0.640 0.000 3.181 321 V HA 0.768 4.884 4.120 -0.006 0.000 0.308 321 V C -1.203 174.957 176.094 0.110 0.000 1.214 321 V CA -1.528 60.734 62.300 -0.063 0.000 1.053 321 V CB 1.894 33.802 31.823 0.142 0.000 1.069 321 V HN 0.594 nan 8.190 nan 0.000 0.441 322 N N 0.965 119.729 118.700 0.107 0.000 2.492 322 N HA 0.411 5.147 4.740 -0.006 0.000 0.289 322 N C 0.603 176.075 175.510 -0.063 0.000 1.133 322 N CA -0.419 52.683 53.050 0.087 0.000 0.961 322 N CB 1.811 40.374 38.487 0.126 0.000 1.186 322 N HN 0.957 nan 8.380 nan 0.000 0.493 323 K N 0.274 120.519 120.400 -0.259 0.000 2.113 323 K HA -0.106 4.210 4.320 -0.006 0.000 0.208 323 K C -0.576 176.061 176.600 0.062 0.000 1.047 323 K CA 1.382 57.534 56.287 -0.225 0.000 0.928 323 K CB 0.195 32.557 32.500 -0.230 0.000 0.716 323 K HN 0.508 nan 8.250 nan 0.000 0.446 324 D N 0.947 121.374 120.400 0.044 0.000 2.943 324 D HA 0.029 4.665 4.640 -0.006 0.000 0.347 324 D C 0.220 176.545 176.300 0.043 0.000 1.305 324 D CA -0.098 53.945 54.000 0.072 0.000 0.870 324 D CB 1.079 41.908 40.800 0.049 0.000 1.081 324 D HN 0.175 nan 8.370 nan 0.000 0.492 325 E N 0.613 120.841 120.200 0.047 0.000 2.114 325 E HA -0.176 4.170 4.350 -0.006 0.000 0.199 325 E C 1.944 178.566 176.600 0.038 0.000 1.008 325 E CA 1.141 57.510 56.400 -0.051 0.000 0.810 325 E CB -0.008 29.625 29.700 -0.112 0.000 0.739 325 E HN 0.406 nan 8.360 nan 0.000 0.456 326 G N 0.777 109.655 108.800 0.131 0.000 2.712 326 G HA2 -0.153 3.804 3.960 -0.006 0.000 0.212 326 G HA3 -0.153 3.804 3.960 -0.006 0.000 0.212 326 G C 1.673 176.672 174.900 0.164 0.000 1.142 326 G CA 1.126 46.345 45.100 0.197 0.000 0.789 326 G HN 0.383 nan 8.290 nan 0.000 0.535 327 T N -0.256 114.332 114.554 0.057 0.000 2.708 327 T HA 0.024 4.371 4.350 -0.006 0.000 0.266 327 T C 2.621 177.238 174.700 -0.138 0.000 1.037 327 T CA 1.600 63.719 62.100 0.033 0.000 1.146 327 T CB -0.543 68.320 68.868 -0.008 0.000 0.865 327 T HN 0.284 nan 8.240 nan 0.000 0.435 328 A N 1.193 123.765 122.820 -0.414 0.000 1.997 328 A HA 0.007 4.323 4.320 -0.006 0.000 0.221 328 A C 1.961 179.267 177.584 -0.463 0.000 1.172 328 A CA 1.597 53.205 52.037 -0.714 0.000 0.645 328 A CB -1.203 17.171 19.000 -1.044 0.000 0.813 328 A HN 0.618 nan 8.150 nan 0.000 0.454 329 F N -0.422 119.516 119.950 -0.021 0.000 2.615 329 F HA 0.131 4.655 4.527 -0.006 0.000 0.297 329 F C 1.817 177.837 175.800 0.366 0.000 1.124 329 F CA 0.342 58.432 58.000 0.150 0.000 1.451 329 F CB -0.299 38.753 39.000 0.087 0.000 1.103 329 F HN 0.078 nan 8.300 nan 0.000 0.569 330 L N 0.130 121.522 121.223 0.282 0.000 2.191 330 L HA -0.123 4.213 4.340 -0.006 0.000 0.212 330 L C 2.147 179.130 176.870 0.188 0.000 1.103 330 L CA 0.895 55.754 54.840 0.031 0.000 0.769 330 L CB -0.797 40.910 42.059 -0.587 0.000 0.908 330 L HN 0.189 nan 8.230 nan 0.000 0.438 331 V N -5.428 114.711 119.914 0.374 0.000 3.623 331 V HA -0.066 4.050 4.120 -0.006 0.000 0.271 331 V C 0.884 177.123 176.094 0.242 0.000 1.248 331 V CA 0.300 62.834 62.300 0.390 0.000 1.156 331 V CB -1.136 30.928 31.823 0.403 0.000 0.870 331 V HN 0.252 nan 8.190 nan 0.000 0.453 332 Y N 1.912 122.377 120.300 0.274 0.000 2.746 332 Y HA 0.698 5.244 4.550 -0.006 0.000 0.312 332 Y C 1.593 177.536 175.900 0.071 0.000 1.117 332 Y CA -0.084 58.121 58.100 0.174 0.000 1.324 332 Y CB 0.501 39.059 38.460 0.164 0.000 1.173 332 Y HN 0.392 nan 8.280 nan 0.000 0.529 333 G N -1.050 107.859 108.800 0.182 0.000 2.559 333 G HA2 -0.007 3.949 3.960 -0.006 0.000 0.202 333 G HA3 -0.007 3.949 3.960 -0.006 0.000 0.202 333 G C 0.077 175.034 174.900 0.094 0.000 0.992 333 G CA -0.393 44.758 45.100 0.085 0.000 0.764 333 G HN 0.465 nan 8.290 nan 0.000 0.525 334 A N 1.427 124.356 122.820 0.183 0.000 2.404 334 A HA 0.681 4.997 4.320 -0.006 0.000 0.273 334 A C -1.998 175.829 177.584 0.405 0.000 1.144 334 A CA -0.979 51.225 52.037 0.278 0.000 0.806 334 A CB 0.032 19.185 19.000 0.255 0.000 1.080 334 A HN 0.080 nan 8.150 nan 0.000 0.509 335 P HA 0.218 nan 4.420 nan 0.000 0.261 335 P C 1.120 178.533 177.300 0.188 0.000 1.183 335 P CA 1.930 65.150 63.100 0.199 0.000 0.761 335 P CB 0.654 32.437 31.700 0.138 0.000 0.785 336 G N 1.898 110.754 108.800 0.093 0.000 2.213 336 G HA2 -0.248 3.708 3.960 -0.006 0.000 0.236 336 G HA3 -0.248 3.708 3.960 -0.006 0.000 0.236 336 G C -0.014 174.764 174.900 -0.202 0.000 0.991 336 G CA -0.594 44.462 45.100 -0.073 0.000 0.629 336 G HN 0.399 nan 8.290 nan 0.000 0.517 337 F N 1.589 121.575 119.950 0.060 0.000 2.384 337 F HA 0.685 5.208 4.527 -0.006 0.000 0.338 337 F C 0.813 176.707 175.800 0.156 0.000 1.103 337 F CA 0.476 58.529 58.000 0.088 0.000 1.157 337 F CB 1.996 41.106 39.000 0.183 0.000 1.167 337 F HN 0.201 nan 8.300 nan 0.000 0.529 338 S N 1.780 117.705 115.700 0.374 0.000 2.535 338 S HA 0.243 4.709 4.470 -0.006 0.000 0.272 338 S C 0.162 175.027 174.600 0.440 0.000 1.149 338 S CA -0.920 57.484 58.200 0.340 0.000 0.888 338 S CB 1.248 64.558 63.200 0.183 0.000 1.110 338 S HN 0.749 nan 8.310 nan 0.000 0.463 339 K N 1.632 122.188 120.400 0.260 0.000 2.439 339 K HA 0.077 4.393 4.320 -0.006 0.000 0.197 339 K C -0.020 176.615 176.600 0.059 0.000 1.041 339 K CA 1.182 57.547 56.287 0.131 0.000 0.970 339 K CB -0.162 32.219 32.500 -0.198 0.000 0.773 339 K HN 0.529 nan 8.250 nan 0.000 0.479 340 D N 1.088 121.521 120.400 0.054 0.000 2.342 340 D HA 0.031 4.668 4.640 -0.006 0.000 0.221 340 D C -0.366 175.979 176.300 0.076 0.000 1.101 340 D CA 0.110 54.120 54.000 0.017 0.000 0.837 340 D CB 0.061 40.844 40.800 -0.028 0.000 0.938 340 D HN 0.469 nan 8.370 nan 0.000 0.508 341 N N -0.398 118.397 118.700 0.158 0.000 3.277 341 N HA -0.030 4.706 4.740 -0.006 0.000 0.278 341 N C 0.053 175.669 175.510 0.177 0.000 1.544 341 N CA -0.678 52.447 53.050 0.125 0.000 0.869 341 N CB 0.150 38.662 38.487 0.042 0.000 1.584 341 N HN -0.280 nan 8.380 nan 0.000 0.564 342 N N -0.942 117.783 118.700 0.041 0.000 2.398 342 N HA 0.035 4.771 4.740 -0.006 0.000 0.188 342 N C -0.686 174.559 175.510 -0.443 0.000 1.122 342 N CA 0.556 53.575 53.050 -0.052 0.000 0.866 342 N CB -0.365 38.127 38.487 0.009 0.000 0.970 342 N HN 0.540 nan 8.380 nan 0.000 0.462 343 S N -0.470 114.978 115.700 -0.419 0.000 3.635 343 S HA -0.114 4.352 4.470 -0.006 0.000 0.328 343 S C -0.116 174.088 174.600 -0.660 0.000 1.135 343 S CA 0.070 57.869 58.200 -0.669 0.000 0.942 343 S CB -1.526 60.986 63.200 -1.147 0.000 0.930 343 S HN 0.421 nan 8.310 nan 0.000 0.512 344 I N 2.825 123.160 120.570 -0.391 0.000 2.725 344 I HA 0.056 4.222 4.170 -0.006 0.000 0.296 344 I C 1.009 176.970 176.117 -0.259 0.000 1.155 344 I CA 0.587 61.721 61.300 -0.276 0.000 1.450 344 I CB -1.355 36.544 38.000 -0.168 0.000 1.478 344 I HN 0.416 nan 8.210 nan 0.000 0.642 345 I N 3.505 123.898 120.570 -0.295 0.000 2.834 345 I HA 0.541 4.707 4.170 -0.006 0.000 0.305 345 I C 0.863 176.944 176.117 -0.060 0.000 1.008 345 I CA -0.584 60.593 61.300 -0.206 0.000 1.273 345 I CB 1.310 39.162 38.000 -0.246 0.000 1.432 345 I HN 0.480 nan 8.210 nan 0.000 0.557 346 T N 0.006 114.517 114.554 -0.073 0.000 2.912 346 T HA 0.331 4.677 4.350 -0.006 0.000 0.280 346 T C 0.967 175.459 174.700 -0.347 0.000 0.989 346 T CA -0.581 61.441 62.100 -0.130 0.000 0.995 346 T CB 1.624 70.436 68.868 -0.093 0.000 1.077 346 T HN 0.864 nan 8.240 nan 0.000 0.531 347 R N 0.452 120.520 120.500 -0.720 0.000 2.119 347 R HA -0.193 4.143 4.340 -0.006 0.000 0.246 347 R C 2.130 178.273 176.300 -0.261 0.000 1.146 347 R CA 1.922 57.429 56.100 -0.989 0.000 0.962 347 R CB -0.368 29.568 30.300 -0.606 0.000 0.863 347 R HN 0.617 nan 8.270 nan 0.000 0.442 348 K N 0.831 121.158 120.400 -0.122 0.000 2.097 348 K HA -0.123 4.194 4.320 -0.006 0.000 0.205 348 K C 1.687 178.318 176.600 0.052 0.000 1.050 348 K CA 1.975 58.261 56.287 -0.002 0.000 0.938 348 K CB -0.019 32.481 32.500 -0.000 0.000 0.718 348 K HN 0.376 nan 8.250 nan 0.000 0.442 349 E N -0.880 119.343 120.200 0.039 0.000 2.047 349 E HA -0.164 4.182 4.350 -0.006 0.000 0.191 349 E C 1.840 178.557 176.600 0.195 0.000 0.987 349 E CA 1.166 57.623 56.400 0.096 0.000 0.799 349 E CB -0.303 29.427 29.700 0.049 0.000 0.752 349 E HN 0.317 nan 8.360 nan 0.000 0.449 350 F N 2.280 122.263 119.950 0.054 0.000 2.063 350 F HA -0.338 4.186 4.527 -0.007 0.000 0.298 350 F C 2.303 178.205 175.800 0.170 0.000 1.109 350 F CA 1.971 60.071 58.000 0.168 0.000 1.212 350 F CB -0.078 39.028 39.000 0.177 0.000 0.973 350 F HN -0.029 nan 8.300 nan 0.000 0.480 351 Q N -0.290 119.703 119.800 0.321 0.000 2.084 351 Q HA -0.214 4.122 4.340 -0.006 0.000 0.202 351 Q C 2.147 178.220 176.000 0.122 0.000 0.978 351 Q CA 1.618 57.547 55.803 0.211 0.000 0.844 351 Q CB -0.292 28.564 28.738 0.197 0.000 0.898 351 Q HN 0.436 nan 8.270 nan 0.000 0.426 352 E N 0.036 120.308 120.200 0.119 0.000 2.077 352 E HA -0.130 4.217 4.350 -0.006 0.000 0.193 352 E C 2.107 178.777 176.600 0.116 0.000 0.989 352 E CA 1.217 57.682 56.400 0.108 0.000 0.800 352 E CB -0.463 29.298 29.700 0.102 0.000 0.746 352 E HN 0.485 nan 8.360 nan 0.000 0.452 353 G N 1.484 110.363 108.800 0.130 0.000 2.440 353 G HA2 -0.244 3.713 3.960 -0.006 0.000 0.218 353 G HA3 -0.244 3.713 3.960 -0.006 0.000 0.218 353 G C 1.730 176.754 174.900 0.206 0.000 1.154 353 G CA 0.633 45.837 45.100 0.174 0.000 0.767 353 G HN 0.197 nan 8.290 nan 0.000 0.552 354 L N -0.230 121.052 121.223 0.098 0.000 2.079 354 L HA -0.102 4.235 4.340 -0.006 0.000 0.210 354 L C 2.958 180.023 176.870 0.325 0.000 1.081 354 L CA 1.348 56.335 54.840 0.245 0.000 0.752 354 L CB -0.356 41.758 42.059 0.093 0.000 0.896 354 L HN 0.243 nan 8.230 nan 0.000 0.433 355 K N -0.122 120.394 120.400 0.193 0.000 2.057 355 K HA -0.165 4.152 4.320 -0.006 0.000 0.207 355 K C 2.049 178.709 176.600 0.100 0.000 1.049 355 K CA 1.043 57.424 56.287 0.156 0.000 0.931 355 K CB 0.027 32.593 32.500 0.110 0.000 0.714 355 K HN 0.136 nan 8.250 nan 0.000 0.440 356 I N 0.208 120.802 120.570 0.041 0.000 2.163 356 I HA -0.249 3.917 4.170 -0.006 0.000 0.243 356 I C 1.959 177.923 176.117 -0.256 0.000 1.085 356 I CA 1.739 62.950 61.300 -0.148 0.000 1.347 356 I CB -1.009 36.809 38.000 -0.305 0.000 1.044 356 I HN 0.058 nan 8.210 nan 0.000 0.408 357 F N -0.905 119.015 119.950 -0.049 0.000 2.743 357 F HA 0.060 4.583 4.527 -0.006 0.000 0.297 357 F C 0.865 176.306 175.800 -0.599 0.000 1.131 357 F CA 0.320 58.140 58.000 -0.301 0.000 1.426 357 F CB -0.117 38.665 39.000 -0.364 0.000 1.116 357 F HN -0.143 nan 8.300 nan 0.000 0.583 358 F N -0.532 119.526 119.950 0.181 0.000 2.597 358 F HA 0.349 4.872 4.527 -0.006 0.000 0.336 358 F C -1.764 174.111 175.800 0.126 0.000 1.432 358 F CA -2.415 55.683 58.000 0.164 0.000 1.120 358 F CB -0.145 38.962 39.000 0.179 0.000 1.253 358 F HN -0.205 nan 8.300 nan 0.000 0.546 359 P HA -0.184 nan 4.420 nan 0.000 0.212 359 P C 0.791 178.171 177.300 0.132 0.000 1.128 359 P CA 1.912 65.080 63.100 0.113 0.000 0.961 359 P CB 0.232 31.970 31.700 0.063 0.000 0.782 360 G N -2.582 106.297 108.800 0.130 0.000 3.317 360 G HA2 0.393 4.349 3.960 -0.006 0.000 0.308 360 G HA3 0.393 4.349 3.960 -0.006 0.000 0.308 360 G C -1.005 173.964 174.900 0.115 0.000 1.535 360 G CA -0.508 44.664 45.100 0.121 0.000 0.788 360 G HN 0.093 nan 8.290 nan 0.000 0.478 361 V N 0.603 120.602 119.914 0.142 0.000 5.791 361 V HA -0.260 3.857 4.120 -0.006 0.000 0.239 361 V C 1.429 177.603 176.094 0.133 0.000 0.714 361 V CA 0.801 63.201 62.300 0.167 0.000 0.851 361 V CB -2.318 29.698 31.823 0.321 0.000 0.957 361 V HN 1.541 nan 8.190 nan 0.000 0.419 362 S N 1.601 117.358 115.700 0.094 0.000 2.560 362 S HA 0.117 4.583 4.470 -0.006 0.000 0.276 362 S C 0.999 175.681 174.600 0.137 0.000 1.350 362 S CA 0.502 58.768 58.200 0.110 0.000 1.024 362 S CB 1.188 64.459 63.200 0.118 0.000 0.864 362 S HN 0.785 nan 8.310 nan 0.000 0.536 363 E N 0.782 121.066 120.200 0.141 0.000 2.118 363 E HA -0.087 4.259 4.350 -0.006 0.000 0.195 363 E C 1.373 178.077 176.600 0.174 0.000 0.992 363 E CA 1.548 58.035 56.400 0.145 0.000 0.804 363 E CB -0.405 29.372 29.700 0.128 0.000 0.741 363 E HN 0.785 nan 8.360 nan 0.000 0.458 364 F N -0.261 119.732 119.950 0.071 0.000 2.146 364 F HA -0.033 4.490 4.527 -0.007 0.000 0.298 364 F C 2.023 177.905 175.800 0.135 0.000 1.096 364 F CA 1.738 59.788 58.000 0.083 0.000 1.275 364 F CB -0.604 38.432 39.000 0.060 0.000 1.008 364 F HN 0.087 nan 8.300 nan 0.000 0.480 365 G N 0.862 109.667 108.800 0.008 0.000 2.553 365 G HA2 -0.337 3.619 3.960 -0.006 0.000 0.218 365 G HA3 -0.337 3.619 3.960 -0.006 0.000 0.218 365 G C 1.704 176.650 174.900 0.077 0.000 1.195 365 G CA 1.235 46.320 45.100 -0.025 0.000 0.779 365 G HN 0.368 nan 8.290 nan 0.000 0.577 366 K N 0.029 120.478 120.400 0.083 0.000 2.063 366 K HA -0.085 4.231 4.320 -0.006 0.000 0.208 366 K C 2.428 179.070 176.600 0.069 0.000 1.048 366 K CA 1.151 57.480 56.287 0.069 0.000 0.928 366 K CB -0.130 32.434 32.500 0.106 0.000 0.713 366 K HN 0.218 nan 8.250 nan 0.000 0.442 367 E N 0.668 120.891 120.200 0.037 0.000 2.077 367 E HA -0.154 4.192 4.350 -0.006 0.000 0.193 367 E C 2.191 178.804 176.600 0.021 0.000 0.989 367 E CA 1.572 57.993 56.400 0.036 0.000 0.800 367 E CB -0.061 29.648 29.700 0.015 0.000 0.746 367 E HN 0.332 nan 8.360 nan 0.000 0.452 368 S N 0.622 116.280 115.700 -0.071 0.000 2.368 368 S HA -0.123 4.344 4.470 -0.006 0.000 0.225 368 S C 2.223 176.956 174.600 0.222 0.000 1.030 368 S CA 0.918 59.166 58.200 0.081 0.000 0.999 368 S CB -0.635 62.620 63.200 0.092 0.000 0.844 368 S HN 0.197 nan 8.310 nan 0.000 0.459 369 I N 1.481 122.166 120.570 0.192 0.000 2.163 369 I HA -0.175 3.991 4.170 -0.006 0.000 0.243 369 I C 2.643 178.817 176.117 0.096 0.000 1.085 369 I CA 1.587 62.883 61.300 -0.007 0.000 1.347 369 I CB -0.485 37.476 38.000 -0.065 0.000 1.044 369 I HN 0.308 nan 8.210 nan 0.000 0.408 370 L N 0.177 121.508 121.223 0.180 0.000 2.017 370 L HA -0.261 4.075 4.340 -0.006 0.000 0.208 370 L C 2.556 179.441 176.870 0.024 0.000 1.073 370 L CA 1.594 56.577 54.840 0.239 0.000 0.745 370 L CB -0.412 41.805 42.059 0.262 0.000 0.894 370 L HN 0.122 nan 8.230 nan 0.000 0.432 371 F N 0.144 119.999 119.950 -0.158 0.000 2.091 371 F HA -0.329 4.194 4.527 -0.007 0.000 0.299 371 F C 2.241 177.742 175.800 -0.498 0.000 1.103 371 F CA 2.279 60.077 58.000 -0.337 0.000 1.228 371 F CB -0.226 38.541 39.000 -0.390 0.000 0.984 371 F HN 0.233 nan 8.300 nan 0.000 0.477 372 H N -2.845 115.990 119.070 -0.392 0.000 2.462 372 H HA -0.052 4.500 4.556 -0.006 0.000 0.292 372 H C 1.064 176.001 175.328 -0.651 0.000 1.049 372 H CA 1.795 57.450 56.048 -0.656 0.000 1.334 372 H CB -0.229 28.928 29.762 -1.007 0.000 1.404 372 H HN 0.352 nan 8.280 nan 0.000 0.544 373 Y N -0.335 119.749 120.300 -0.359 0.000 2.458 373 Y HA 0.081 4.628 4.550 -0.006 0.000 0.256 373 Y C 1.107 176.671 175.900 -0.560 0.000 1.159 373 Y CA 0.530 58.471 58.100 -0.266 0.000 1.261 373 Y CB 0.834 39.308 38.460 0.023 0.000 1.119 373 Y HN 0.157 nan 8.280 nan 0.000 0.524 374 T N -4.368 109.716 114.554 -0.785 0.000 3.288 374 T HA 0.157 4.503 4.350 -0.006 0.000 0.293 374 T C -0.388 173.298 174.700 -1.691 0.000 1.008 374 T CA -0.449 60.628 62.100 -1.705 0.000 0.929 374 T CB -0.197 67.931 68.868 -1.233 0.000 1.152 374 T HN -0.097 nan 8.240 nan 0.000 0.517 375 D N 2.479 122.244 120.400 -1.058 0.000 2.517 375 D HA 0.166 4.802 4.640 -0.006 0.000 0.220 375 D C -0.323 175.705 176.300 -0.452 0.000 1.158 375 D CA -0.390 53.165 54.000 -0.743 0.000 0.992 375 D CB -0.157 40.261 40.800 -0.636 0.000 1.058 375 D HN 0.575 nan 8.370 nan 0.000 0.516 376 W N 0.933 122.095 121.300 -0.229 0.000 2.193 376 W HA 0.177 4.833 4.660 -0.006 0.000 0.338 376 W C 0.944 177.377 176.519 -0.142 0.000 1.310 376 W CA -0.943 56.285 57.345 -0.195 0.000 1.243 376 W CB 0.694 30.028 29.460 -0.209 0.000 1.165 376 W HN 0.074 nan 8.180 nan 0.000 0.566 377 V N 0.751 120.769 119.914 0.173 0.000 2.313 377 V HA 0.409 4.526 4.120 -0.006 0.000 0.262 377 V C -1.124 174.993 176.094 0.039 0.000 1.011 377 V CA -0.535 61.806 62.300 0.069 0.000 0.858 377 V CB 0.279 32.121 31.823 0.031 0.000 1.104 377 V HN 0.580 nan 8.190 nan 0.000 0.456 378 D N 1.998 122.407 120.400 0.015 0.000 2.614 378 D HA 0.363 4.999 4.640 -0.006 0.000 0.264 378 D C 0.908 177.209 176.300 0.001 0.000 1.092 378 D CA 0.060 54.090 54.000 0.051 0.000 1.071 378 D CB 2.066 42.884 40.800 0.029 0.000 1.443 378 D HN 0.492 nan 8.370 nan 0.000 0.528 379 D N 0.170 120.611 120.400 0.068 0.000 2.421 379 D HA -0.216 4.420 4.640 -0.006 0.000 0.223 379 D C 0.766 177.001 176.300 -0.108 0.000 0.979 379 D CA 1.211 55.229 54.000 0.030 0.000 0.959 379 D CB 0.189 41.058 40.800 0.114 0.000 0.874 379 D HN 0.329 nan 8.370 nan 0.000 0.513 380 Q N 0.260 119.988 119.800 -0.121 0.000 1.940 380 Q HA 0.033 4.370 4.340 -0.006 0.000 0.200 380 Q C 0.656 176.560 176.000 -0.159 0.000 0.977 380 Q CA -0.133 55.605 55.803 -0.108 0.000 0.841 380 Q CB -0.204 28.491 28.738 -0.071 0.000 0.901 380 Q HN 0.197 nan 8.270 nan 0.000 0.446 381 R N 2.367 122.761 120.500 -0.176 0.000 4.489 381 R HA -0.148 4.189 4.340 -0.006 0.000 0.116 381 R C -1.801 174.336 176.300 -0.271 0.000 0.264 381 R CA -0.006 55.964 56.100 -0.216 0.000 0.826 381 R CB -0.501 29.641 30.300 -0.264 0.000 1.062 381 R HN 0.284 nan 8.270 nan 0.000 0.237 382 P HA -0.122 nan 4.420 nan 0.000 0.223 382 P C 0.753 177.952 177.300 -0.168 0.000 1.151 382 P CA 0.990 63.997 63.100 -0.155 0.000 0.787 382 P CB 0.201 31.841 31.700 -0.100 0.000 0.788 383 E N -0.981 119.114 120.200 -0.174 0.000 2.502 383 E HA -0.046 4.301 4.350 -0.006 0.000 0.194 383 E C 1.137 177.619 176.600 -0.196 0.000 1.062 383 E CA 0.138 56.451 56.400 -0.146 0.000 0.867 383 E CB -1.124 28.527 29.700 -0.081 0.000 0.888 383 E HN 0.127 nan 8.360 nan 0.000 0.510 384 N N 1.585 120.036 118.700 -0.415 0.000 2.055 384 N HA -0.233 4.504 4.740 -0.006 0.000 0.200 384 N C 1.553 176.723 175.510 -0.567 0.000 1.037 384 N CA 1.763 54.310 53.050 -0.839 0.000 0.881 384 N CB -0.811 36.610 38.487 -1.777 0.000 1.075 384 N HN 0.302 nan 8.380 nan 0.000 0.470 385 Y N 0.973 121.104 120.300 -0.283 0.000 2.242 385 Y HA -0.018 4.528 4.550 -0.006 0.000 0.291 385 Y C 2.625 178.707 175.900 0.303 0.000 1.137 385 Y CA 1.008 59.164 58.100 0.093 0.000 1.181 385 Y CB -0.280 38.254 38.460 0.123 0.000 0.989 385 Y HN 0.098 nan 8.280 nan 0.000 0.527 386 R N 0.851 121.508 120.500 0.261 0.000 2.081 386 R HA -0.173 4.164 4.340 -0.006 0.000 0.235 386 R C 1.826 178.321 176.300 0.325 0.000 1.131 386 R CA 1.909 58.158 56.100 0.248 0.000 0.960 386 R CB -0.110 30.142 30.300 -0.081 0.000 0.856 386 R HN 0.421 nan 8.270 nan 0.000 0.436 387 E N 0.080 120.414 120.200 0.223 0.000 2.106 387 E HA -0.148 4.198 4.350 -0.006 0.000 0.192 387 E C 1.965 178.761 176.600 0.327 0.000 0.984 387 E CA 1.051 57.602 56.400 0.251 0.000 0.806 387 E CB -0.131 29.669 29.700 0.167 0.000 0.750 387 E HN 0.443 nan 8.360 nan 0.000 0.458 388 A N 1.771 124.834 122.820 0.406 0.000 1.902 388 A HA -0.147 4.169 4.320 -0.006 0.000 0.217 388 A C 2.235 180.132 177.584 0.521 0.000 1.181 388 A CA 0.962 53.322 52.037 0.538 0.000 0.623 388 A CB -0.551 18.836 19.000 0.645 0.000 0.818 388 A HN 0.185 nan 8.150 nan 0.000 0.443 389 L N 0.057 121.647 121.223 0.611 0.000 2.083 389 L HA -0.048 4.288 4.340 -0.006 0.000 0.209 389 L C 2.396 179.304 176.870 0.062 0.000 1.083 389 L CA 2.174 57.170 54.840 0.259 0.000 0.752 389 L CB -0.903 41.300 42.059 0.239 0.000 0.899 389 L HN 0.324 nan 8.230 nan 0.000 0.433 390 G N -1.670 107.223 108.800 0.154 0.000 2.403 390 G HA2 -0.211 3.745 3.960 -0.006 0.000 0.216 390 G HA3 -0.211 3.745 3.960 -0.006 0.000 0.216 390 G C 1.293 176.250 174.900 0.096 0.000 1.154 390 G CA 0.628 45.787 45.100 0.097 0.000 0.784 390 G HN 0.360 nan 8.290 nan 0.000 0.538 391 D N 0.461 120.961 120.400 0.166 0.000 2.117 391 D HA -0.104 4.533 4.640 -0.006 0.000 0.197 391 D C 2.791 179.128 176.300 0.061 0.000 0.987 391 D CA 0.735 54.858 54.000 0.205 0.000 0.829 391 D CB -0.399 40.619 40.800 0.363 0.000 0.961 391 D HN 0.155 nan 8.370 nan 0.000 0.460 392 V N 0.849 120.654 119.914 -0.182 0.000 2.252 392 V HA -0.250 3.866 4.120 -0.006 0.000 0.249 392 V C 2.702 178.705 176.094 -0.151 0.000 1.056 392 V CA 1.297 63.416 62.300 -0.302 0.000 1.022 392 V CB -0.526 31.142 31.823 -0.259 0.000 0.641 392 V HN 0.058 nan 8.190 nan 0.000 0.445 393 V N 0.575 120.379 119.914 -0.183 0.000 2.295 393 V HA -0.163 3.953 4.120 -0.006 0.000 0.246 393 V C 2.580 178.597 176.094 -0.128 0.000 1.049 393 V CA 2.234 64.368 62.300 -0.277 0.000 1.024 393 V CB -1.321 30.169 31.823 -0.555 0.000 0.648 393 V HN 0.623 nan 8.190 nan 0.000 0.447 394 G N -0.678 108.142 108.800 0.033 0.000 2.403 394 G HA2 -0.192 3.765 3.960 -0.006 0.000 0.216 394 G HA3 -0.192 3.765 3.960 -0.006 0.000 0.216 394 G C 1.214 176.209 174.900 0.158 0.000 1.154 394 G CA 0.816 46.055 45.100 0.232 0.000 0.784 394 G HN 0.489 nan 8.290 nan 0.000 0.538 395 D N -0.420 120.013 120.400 0.055 0.000 2.097 395 D HA -0.113 4.523 4.640 -0.006 0.000 0.197 395 D C 1.952 178.039 176.300 -0.354 0.000 0.984 395 D CA 0.790 54.796 54.000 0.010 0.000 0.826 395 D CB -0.384 40.574 40.800 0.262 0.000 0.973 395 D HN 0.324 nan 8.370 nan 0.000 0.460 396 Y N 1.788 121.530 120.300 -0.929 0.000 2.163 396 Y HA -0.106 4.441 4.550 -0.007 0.000 0.288 396 Y C 1.771 177.300 175.900 -0.619 0.000 1.136 396 Y CA 1.483 58.850 58.100 -1.221 0.000 1.147 396 Y CB -0.291 37.248 38.460 -1.534 0.000 0.987 396 Y HN -0.089 nan 8.280 nan 0.000 0.509 397 N N -1.267 117.031 118.700 -0.670 0.000 2.395 397 N HA -0.027 4.709 4.740 -0.006 0.000 0.175 397 N C 1.006 175.990 175.510 -0.877 0.000 1.029 397 N CA 1.273 53.792 53.050 -0.884 0.000 0.897 397 N CB 0.006 37.875 38.487 -1.031 0.000 0.991 397 N HN 0.384 nan 8.380 nan 0.000 0.441 398 F N -0.147 119.739 119.950 -0.106 0.000 2.495 398 F HA 0.352 4.875 4.527 -0.007 0.000 0.272 398 F C 2.075 177.876 175.800 0.002 0.000 0.919 398 F CA -0.345 57.656 58.000 0.001 0.000 1.178 398 F CB -0.029 39.002 39.000 0.051 0.000 1.030 398 F HN -0.200 nan 8.300 nan 0.000 0.777 399 I N -0.135 120.575 120.570 0.232 0.000 2.193 399 I HA -0.246 3.920 4.170 -0.006 0.000 0.240 399 I C 2.077 178.274 176.117 0.133 0.000 1.084 399 I CA 1.168 62.599 61.300 0.218 0.000 1.365 399 I CB -0.509 37.632 38.000 0.234 0.000 1.064 399 I HN 0.285 nan 8.210 nan 0.000 0.410 400 c N 1.131 119.779 118.600 0.079 0.000 2.446 400 c HA -0.041 4.525 4.570 -0.006 0.000 0.277 400 c C 0.277 174.382 174.090 0.026 0.000 1.275 400 c CA 0.707 57.085 56.329 0.081 0.000 1.727 400 c CB -2.028 40.580 42.510 0.163 0.000 2.010 400 c HN 0.360 nan 8.230 nan 0.000 0.486 401 P HA -0.080 nan 4.420 nan 0.000 0.216 401 P C 1.582 178.853 177.300 -0.047 0.000 1.150 401 P CA 2.427 65.459 63.100 -0.114 0.000 0.837 401 P CB -0.191 31.337 31.700 -0.286 0.000 0.786 402 A N -0.482 122.347 122.820 0.016 0.000 1.877 402 A HA -0.170 4.146 4.320 -0.006 0.000 0.216 402 A C 2.250 179.946 177.584 0.188 0.000 1.186 402 A CA 1.503 53.605 52.037 0.109 0.000 0.620 402 A CB -1.672 17.443 19.000 0.192 0.000 0.822 402 A HN 0.112 nan 8.150 nan 0.000 0.443 403 L N -1.095 120.173 121.223 0.075 0.000 2.046 403 L HA -0.194 4.143 4.340 -0.006 0.000 0.208 403 L C 2.682 179.539 176.870 -0.022 0.000 1.077 403 L CA 1.761 56.511 54.840 -0.151 0.000 0.747 403 L CB -0.409 41.538 42.059 -0.186 0.000 0.896 403 L HN 0.437 nan 8.230 nan 0.000 0.432 404 E N 0.067 120.290 120.200 0.039 0.000 2.072 404 E HA -0.250 4.097 4.350 -0.006 0.000 0.191 404 E C 1.954 178.585 176.600 0.052 0.000 0.985 404 E CA 1.181 57.614 56.400 0.056 0.000 0.801 404 E CB -0.292 29.438 29.700 0.050 0.000 0.750 404 E HN 0.319 nan 8.360 nan 0.000 0.452 405 F N 0.777 120.666 119.950 -0.102 0.000 2.065 405 F HA -0.286 4.238 4.527 -0.005 0.000 0.298 405 F C 2.172 177.948 175.800 -0.041 0.000 1.112 405 F CA 2.286 60.207 58.000 -0.131 0.000 1.212 405 F CB -0.737 38.110 39.000 -0.254 0.000 0.975 405 F HN 0.017 nan 8.300 nan 0.000 0.476 406 T N 0.319 114.918 114.554 0.075 0.000 2.746 406 T HA -0.222 4.124 4.350 -0.006 0.000 0.267 406 T C 1.960 176.658 174.700 -0.003 0.000 1.039 406 T CA 1.639 63.702 62.100 -0.061 0.000 1.142 406 T CB -0.323 68.353 68.868 -0.319 0.000 0.866 406 T HN 0.237 nan 8.240 nan 0.000 0.444 407 K N 0.971 121.432 120.400 0.102 0.000 1.991 407 K HA -0.134 4.183 4.320 -0.006 0.000 0.212 407 K C 2.351 179.045 176.600 0.156 0.000 1.049 407 K CA 1.213 57.672 56.287 0.287 0.000 0.932 407 K CB 0.014 32.662 32.500 0.247 0.000 0.717 407 K HN 0.069 nan 8.250 nan 0.000 0.441 408 K N -0.007 120.437 120.400 0.073 0.000 2.097 408 K HA -0.173 4.143 4.320 -0.006 0.000 0.206 408 K C 2.085 178.781 176.600 0.160 0.000 1.049 408 K CA 1.249 57.601 56.287 0.108 0.000 0.933 408 K CB -0.421 32.126 32.500 0.078 0.000 0.717 408 K HN 0.210 nan 8.250 nan 0.000 0.442 409 F N 2.457 122.249 119.950 -0.264 0.000 2.134 409 F HA -0.244 4.279 4.527 -0.006 0.000 0.299 409 F C 2.520 178.385 175.800 0.109 0.000 1.097 409 F CA 1.903 59.729 58.000 -0.291 0.000 1.264 409 F CB -0.176 38.391 39.000 -0.722 0.000 1.001 409 F HN 0.064 nan 8.300 nan 0.000 0.479 410 S N -0.963 114.908 115.700 0.286 0.000 2.481 410 S HA -0.141 4.325 4.470 -0.006 0.000 0.231 410 S C 1.633 176.315 174.600 0.136 0.000 0.996 410 S CA 0.999 59.350 58.200 0.252 0.000 0.942 410 S CB -0.601 62.771 63.200 0.286 0.000 0.768 410 S HN 0.562 nan 8.310 nan 0.000 0.520 411 E N -0.180 120.080 120.200 0.100 0.000 2.418 411 E HA -0.022 4.324 4.350 -0.006 0.000 0.197 411 E C 0.284 176.714 176.600 -0.282 0.000 1.026 411 E CA 0.653 56.994 56.400 -0.099 0.000 0.862 411 E CB -0.073 29.534 29.700 -0.154 0.000 0.799 411 E HN 0.784 nan 8.360 nan 0.000 0.518 412 W N -0.491 120.802 121.300 -0.011 0.000 3.330 412 W HA 0.275 4.935 4.660 -0.000 0.000 0.348 412 W C 1.253 177.728 176.519 -0.074 0.000 1.205 412 W CA 0.456 57.759 57.345 -0.069 0.000 1.841 412 W CB 1.013 30.391 29.460 -0.137 0.000 1.084 412 W HN 0.115 nan 8.180 nan 0.000 0.665 413 G N -0.091 108.759 108.800 0.083 0.000 2.253 413 G HA2 -0.255 3.701 3.960 -0.006 0.000 0.209 413 G HA3 -0.255 3.701 3.960 -0.006 0.000 0.209 413 G C 0.119 175.066 174.900 0.079 0.000 0.997 413 G CA -0.574 44.559 45.100 0.055 0.000 0.640 413 G HN 0.243 nan 8.290 nan 0.000 0.496 414 N N 1.270 120.043 118.700 0.122 0.000 2.524 414 N HA 0.485 5.221 4.740 -0.006 0.000 0.283 414 N C -0.163 175.446 175.510 0.164 0.000 1.142 414 N CA -0.580 52.574 53.050 0.173 0.000 0.984 414 N CB 0.397 39.055 38.487 0.285 0.000 1.155 414 N HN 0.190 nan 8.380 nan 0.000 0.467 415 N N 0.893 119.662 118.700 0.116 0.000 2.492 415 N HA 0.356 5.092 4.740 -0.006 0.000 0.262 415 N C -0.960 174.515 175.510 -0.058 0.000 1.202 415 N CA 0.086 53.112 53.050 -0.039 0.000 0.926 415 N CB 0.716 39.192 38.487 -0.018 0.000 1.078 415 N HN 0.561 nan 8.380 nan 0.000 0.454 416 A N 1.615 124.228 122.820 -0.345 0.000 2.549 416 A HA 0.774 5.090 4.320 -0.006 0.000 0.297 416 A C -1.582 175.673 177.584 -0.549 0.000 1.061 416 A CA -0.644 51.262 52.037 -0.219 0.000 0.690 416 A CB 0.901 19.942 19.000 0.068 0.000 1.287 416 A HN 0.462 nan 8.150 nan 0.000 0.402 417 F N 0.568 120.508 119.950 -0.017 0.000 2.547 417 F HA 0.652 5.176 4.527 -0.005 0.000 0.316 417 F C -0.710 175.234 175.800 0.240 0.000 1.121 417 F CA -0.418 57.542 58.000 -0.067 0.000 0.911 417 F CB 2.146 40.612 39.000 -0.889 0.000 1.179 417 F HN 0.550 nan 8.300 nan 0.000 0.443 418 F N 4.286 124.662 119.950 0.710 0.000 2.520 418 F HA 0.606 5.130 4.527 -0.006 0.000 0.322 418 F C -1.026 175.240 175.800 0.777 0.000 1.103 418 F CA -1.223 57.075 58.000 0.497 0.000 0.926 418 F CB 1.160 40.249 39.000 0.147 0.000 1.154 418 F HN 0.443 nan 8.300 nan 0.000 0.453 419 Y N 3.779 124.247 120.300 0.280 0.000 2.509 419 Y HA 0.658 5.204 4.550 -0.007 0.000 0.341 419 Y C -2.105 174.008 175.900 0.355 0.000 1.038 419 Y CA -1.758 56.520 58.100 0.297 0.000 1.089 419 Y CB 1.105 39.699 38.460 0.224 0.000 1.241 419 Y HN 0.568 nan 8.280 nan 0.000 0.468 420 Y N 4.199 124.796 120.300 0.494 0.000 2.363 420 Y HA 0.415 4.962 4.550 -0.006 0.000 0.325 420 Y C -1.894 174.268 175.900 0.436 0.000 0.984 420 Y CA -2.461 55.884 58.100 0.408 0.000 1.248 420 Y CB 0.745 39.472 38.460 0.446 0.000 1.116 420 Y HN 0.752 nan 8.280 nan 0.000 0.470 421 F N 6.824 126.826 119.950 0.087 0.000 2.421 421 F HA 0.296 4.819 4.527 -0.007 0.000 0.358 421 F C 0.502 176.164 175.800 -0.231 0.000 1.115 421 F CA -0.135 57.865 58.000 0.000 0.000 1.160 421 F CB 0.708 39.769 39.000 0.102 0.000 1.123 421 F HN 0.657 nan 8.300 nan 0.000 0.508 422 E N 3.153 122.983 120.200 -0.617 0.000 2.734 422 E HA 0.074 4.420 4.350 -0.006 0.000 0.211 422 E C -0.701 175.612 176.600 -0.479 0.000 0.991 422 E CA -0.380 55.744 56.400 -0.460 0.000 1.065 422 E CB -0.007 29.558 29.700 -0.225 0.000 1.047 422 E HN 0.624 nan 8.360 nan 0.000 0.470 423 H N 1.680 120.140 119.070 -1.018 0.000 2.488 423 H HA 0.317 4.869 4.556 -0.006 0.000 0.322 423 H C -0.685 174.413 175.328 -0.384 0.000 1.078 423 H CA -0.756 54.868 56.048 -0.707 0.000 1.260 423 H CB 1.007 30.243 29.762 -0.876 0.000 1.425 423 H HN -0.003 nan 8.280 nan 0.000 0.471 424 R N 4.417 124.445 120.500 -0.786 0.000 2.229 424 R HA 0.266 4.602 4.340 -0.006 0.000 0.328 424 R C -0.479 175.492 176.300 -0.547 0.000 1.009 424 R CA -0.538 55.285 56.100 -0.461 0.000 0.864 424 R CB 0.733 30.875 30.300 -0.264 0.000 1.085 424 R HN 0.680 nan 8.270 nan 0.000 0.453 425 S N 2.071 117.723 115.700 -0.079 0.000 2.573 425 S HA -0.086 4.380 4.470 -0.006 0.000 0.297 425 S C 1.464 176.131 174.600 0.112 0.000 1.280 425 S CA 0.377 58.723 58.200 0.243 0.000 1.061 425 S CB 0.569 64.032 63.200 0.440 0.000 0.812 425 S HN 0.818 nan 8.310 nan 0.000 0.500 426 S N 4.389 120.213 115.700 0.207 0.000 2.419 426 S HA -0.108 4.359 4.470 -0.006 0.000 0.235 426 S C 1.169 175.787 174.600 0.030 0.000 1.019 426 S CA 1.029 59.292 58.200 0.105 0.000 0.982 426 S CB -0.281 63.003 63.200 0.139 0.000 0.789 426 S HN 0.821 nan 8.310 nan 0.000 0.490 427 K N 0.637 121.049 120.400 0.022 0.000 2.374 427 K HA 0.328 4.644 4.320 -0.006 0.000 0.196 427 K C 0.151 176.732 176.600 -0.031 0.000 1.023 427 K CA -0.317 55.931 56.287 -0.066 0.000 1.103 427 K CB 0.023 32.394 32.500 -0.216 0.000 0.848 427 K HN 0.322 nan 8.250 nan 0.000 0.528 428 L N 4.115 125.332 121.223 -0.010 0.000 2.628 428 L HA -0.009 4.327 4.340 -0.006 0.000 0.274 428 L C -1.290 175.545 176.870 -0.059 0.000 1.209 428 L CA -0.134 54.670 54.840 -0.060 0.000 0.930 428 L CB 0.679 42.681 42.059 -0.094 0.000 1.183 428 L HN 0.061 nan 8.230 nan 0.000 0.492 429 P HA -0.040 nan 4.420 nan 0.000 0.245 429 P C -0.152 177.132 177.300 -0.026 0.000 1.203 429 P CA 0.245 63.267 63.100 -0.129 0.000 0.792 429 P CB 0.198 31.681 31.700 -0.361 0.000 0.997 430 W N 3.045 124.335 121.300 -0.016 0.000 2.150 430 W HA 0.257 4.914 4.660 -0.006 0.000 0.341 430 W C -1.601 174.811 176.519 -0.178 0.000 1.276 430 W CA -2.020 55.288 57.345 -0.061 0.000 1.238 430 W CB -0.629 28.706 29.460 -0.207 0.000 1.128 430 W HN -0.096 nan 8.180 nan 0.000 0.581 431 P HA -0.040 nan 4.420 nan 0.000 0.272 431 P C 0.394 177.586 177.300 -0.180 0.000 1.223 431 P CA 0.253 63.289 63.100 -0.107 0.000 0.784 431 P CB 0.881 32.498 31.700 -0.139 0.000 0.923 432 E N 1.594 121.765 120.200 -0.049 0.000 2.130 432 E HA -0.170 4.176 4.350 -0.006 0.000 0.196 432 E C 1.867 178.481 176.600 0.024 0.000 0.998 432 E CA 1.512 57.905 56.400 -0.011 0.000 0.806 432 E CB -0.339 29.386 29.700 0.042 0.000 0.738 432 E HN 0.724 nan 8.360 nan 0.000 0.459 433 W N 0.433 121.765 121.300 0.052 0.000 2.364 433 W HA -0.109 4.547 4.660 -0.007 0.000 0.281 433 W C 1.489 178.049 176.519 0.069 0.000 1.219 433 W CA 0.492 57.875 57.345 0.063 0.000 1.220 433 W CB -0.696 28.812 29.460 0.079 0.000 1.127 433 W HN -0.033 nan 8.180 nan 0.000 0.556 434 M N 1.428 120.720 119.600 -0.514 0.000 2.557 434 M HA 0.123 4.599 4.480 -0.006 0.000 0.259 434 M C 1.703 177.882 176.300 -0.202 0.000 1.086 434 M CA 1.452 56.431 55.300 -0.535 0.000 1.096 434 M CB -0.811 31.287 32.600 -0.837 0.000 1.424 434 M HN 0.176 nan 8.290 nan 0.000 0.488 435 G N 0.652 109.386 108.800 -0.111 0.000 2.566 435 G HA2 -0.287 3.669 3.960 -0.006 0.000 0.280 435 G HA3 -0.287 3.669 3.960 -0.006 0.000 0.280 435 G C -0.170 174.676 174.900 -0.090 0.000 1.225 435 G CA -0.250 44.816 45.100 -0.056 0.000 0.966 435 G HN 0.216 nan 8.290 nan 0.000 0.560 436 V N 1.911 121.791 119.914 -0.056 0.000 2.287 436 V HA 0.384 4.500 4.120 -0.006 0.000 0.246 436 V C 1.157 177.261 176.094 0.017 0.000 1.165 436 V CA 0.474 62.758 62.300 -0.027 0.000 1.088 436 V CB 0.018 31.810 31.823 -0.052 0.000 1.242 436 V HN 0.507 nan 8.190 nan 0.000 0.497 437 M N 2.282 121.883 119.600 0.000 0.000 2.228 437 M HA 0.290 4.766 4.480 -0.006 0.000 0.326 437 M C 0.574 176.924 176.300 0.082 0.000 1.122 437 M CA -0.464 54.822 55.300 -0.023 0.000 1.161 437 M CB 0.331 32.835 32.600 -0.159 0.000 1.437 437 M HN 0.625 nan 8.290 nan 0.000 0.465 438 H N 0.218 119.196 119.070 -0.153 0.000 3.034 438 H HA 0.200 4.752 4.556 -0.006 0.000 0.324 438 H C 0.947 176.158 175.328 -0.195 0.000 1.015 438 H CA 1.961 57.858 56.048 -0.251 0.000 1.429 438 H CB 0.227 29.735 29.762 -0.424 0.000 1.429 438 H HN 0.725 nan 8.280 nan 0.000 0.585 439 G N 3.263 111.671 108.800 -0.652 0.000 2.232 439 G HA2 -0.298 3.658 3.960 -0.006 0.000 0.226 439 G HA3 -0.298 3.658 3.960 -0.006 0.000 0.226 439 G C 0.548 175.228 174.900 -0.367 0.000 0.996 439 G CA 0.327 45.026 45.100 -0.667 0.000 0.626 439 G HN 0.633 nan 8.290 nan 0.000 0.509 440 Y N 1.508 121.811 120.300 0.005 0.000 2.493 440 Y HA 0.268 4.814 4.550 -0.006 0.000 0.275 440 Y C 2.273 178.205 175.900 0.053 0.000 1.183 440 Y CA 0.783 58.966 58.100 0.139 0.000 1.258 440 Y CB 0.513 39.085 38.460 0.186 0.000 1.108 440 Y HN 0.466 nan 8.280 nan 0.000 0.521 441 E N 0.478 120.546 120.200 -0.220 0.000 2.318 441 E HA -0.074 4.272 4.350 -0.006 0.000 0.193 441 E C 1.626 178.084 176.600 -0.237 0.000 0.998 441 E CA 0.727 56.694 56.400 -0.722 0.000 0.859 441 E CB -0.341 28.611 29.700 -1.248 0.000 0.812 441 E HN 0.546 nan 8.360 nan 0.000 0.492 442 I N 2.673 123.202 120.570 -0.069 0.000 2.194 442 I HA -0.310 3.857 4.170 -0.006 0.000 0.246 442 I C 2.689 178.835 176.117 0.048 0.000 1.093 442 I CA 2.188 63.517 61.300 0.049 0.000 1.355 442 I CB -0.539 37.559 38.000 0.162 0.000 1.046 442 I HN 0.253 nan 8.210 nan 0.000 0.413 443 E N 0.804 121.007 120.200 0.006 0.000 2.268 443 E HA -0.191 4.155 4.350 -0.006 0.000 0.195 443 E C 2.001 178.448 176.600 -0.256 0.000 0.995 443 E CA 1.154 57.482 56.400 -0.120 0.000 0.836 443 E CB -0.388 29.245 29.700 -0.111 0.000 0.763 443 E HN 0.418 nan 8.360 nan 0.000 0.491 444 F N 1.232 121.056 119.950 -0.210 0.000 2.234 444 F HA -0.044 4.479 4.527 -0.006 0.000 0.296 444 F C 2.354 177.939 175.800 -0.358 0.000 1.089 444 F CA 0.638 58.474 58.000 -0.273 0.000 1.343 444 F CB -0.137 38.744 39.000 -0.198 0.000 1.040 444 F HN -0.128 nan 8.300 nan 0.000 0.498 445 V N -1.079 118.682 119.914 -0.255 0.000 2.427 445 V HA -0.277 3.839 4.120 -0.006 0.000 0.248 445 V C 1.844 177.721 176.094 -0.363 0.000 1.051 445 V CA 1.661 63.654 62.300 -0.512 0.000 1.048 445 V CB -0.644 30.838 31.823 -0.569 0.000 0.666 445 V HN 0.224 nan 8.190 nan 0.000 0.456 446 F N 0.171 119.967 119.950 -0.257 0.000 2.789 446 F HA 0.363 4.887 4.527 -0.006 0.000 0.300 446 F C 1.850 177.549 175.800 -0.168 0.000 1.132 446 F CA 0.861 58.748 58.000 -0.189 0.000 1.404 446 F CB 0.248 39.102 39.000 -0.244 0.000 1.114 446 F HN 0.283 nan 8.300 nan 0.000 0.584 447 G N 0.152 108.855 108.800 -0.162 0.000 2.141 447 G HA2 -0.267 3.690 3.960 -0.006 0.000 0.242 447 G HA3 -0.267 3.690 3.960 -0.006 0.000 0.242 447 G C 1.139 175.663 174.900 -0.628 0.000 0.982 447 G CA 0.329 45.252 45.100 -0.295 0.000 0.662 447 G HN 0.319 nan 8.290 nan 0.000 0.527 448 L N -0.322 120.504 121.223 -0.662 0.000 2.081 448 L HA -0.105 4.232 4.340 -0.006 0.000 0.212 448 L C 0.068 176.511 176.870 -0.711 0.000 1.080 448 L CA 2.264 56.637 54.840 -0.777 0.000 0.754 448 L CB -1.570 40.224 42.059 -0.442 0.000 0.893 448 L HN 0.223 nan 8.230 nan 0.000 0.433 449 P HA -0.087 nan 4.420 nan 0.000 0.230 449 P C 1.838 178.861 177.300 -0.463 0.000 1.158 449 P CA 0.858 63.369 63.100 -0.982 0.000 0.769 449 P CB 0.071 30.972 31.700 -1.332 0.000 0.807 450 L N -0.904 120.066 121.223 -0.422 0.000 2.275 450 L HA -0.078 4.258 4.340 -0.006 0.000 0.215 450 L C 1.222 177.948 176.870 -0.240 0.000 1.119 450 L CA 0.685 55.325 54.840 -0.333 0.000 0.790 450 L CB -0.781 41.097 42.059 -0.301 0.000 0.919 450 L HN -0.015 nan 8.230 nan 0.000 0.443 451 E N 0.902 121.047 120.200 -0.091 0.000 1.944 451 E HA 0.014 4.361 4.350 -0.006 0.000 0.272 451 E C 1.080 177.719 176.600 0.066 0.000 1.195 451 E CA 0.109 56.590 56.400 0.135 0.000 0.926 451 E CB 0.429 30.206 29.700 0.127 0.000 1.051 451 E HN 0.089 nan 8.360 nan 0.000 0.404 452 R N 3.143 123.664 120.500 0.035 0.000 2.117 452 R HA -0.118 4.219 4.340 -0.006 0.000 0.243 452 R C 1.450 177.778 176.300 0.047 0.000 1.143 452 R CA 1.220 57.335 56.100 0.025 0.000 0.968 452 R CB -0.071 30.228 30.300 -0.002 0.000 0.863 452 R HN 0.437 nan 8.270 nan 0.000 0.444 453 R N 0.664 121.206 120.500 0.070 0.000 2.371 453 R HA -0.142 4.194 4.340 -0.006 0.000 0.226 453 R C 0.468 176.786 176.300 0.030 0.000 1.132 453 R CA 1.114 57.245 56.100 0.052 0.000 1.027 453 R CB -0.274 30.067 30.300 0.069 0.000 0.848 453 R HN 0.326 nan 8.270 nan 0.000 0.479 454 D N -0.781 119.645 120.400 0.043 0.000 2.369 454 D HA 0.013 4.650 4.640 -0.006 0.000 0.211 454 D C 0.140 176.390 176.300 -0.084 0.000 1.077 454 D CA -0.026 53.980 54.000 0.011 0.000 0.842 454 D CB 0.474 41.328 40.800 0.091 0.000 0.947 454 D HN -0.129 nan 8.370 nan 0.000 0.509 455 Q N -2.000 117.772 119.800 -0.047 0.000 2.360 455 Q HA -0.209 4.127 4.340 -0.006 0.000 0.192 455 Q C -0.911 175.016 176.000 -0.121 0.000 0.615 455 Q CA 0.501 56.246 55.803 -0.096 0.000 1.355 455 Q CB -2.060 26.591 28.738 -0.146 0.000 1.324 455 Q HN 0.462 nan 8.270 nan 0.000 0.885 456 Y N 0.528 120.805 120.300 -0.037 0.000 2.357 456 Y HA 0.288 4.834 4.550 -0.006 0.000 0.340 456 Y C 1.746 177.642 175.900 -0.007 0.000 1.260 456 Y CA 0.522 58.609 58.100 -0.021 0.000 1.425 456 Y CB 0.547 38.961 38.460 -0.078 0.000 1.326 456 Y HN 0.146 nan 8.280 nan 0.000 0.580 457 T N -1.450 113.229 114.554 0.207 0.000 2.754 457 T HA 0.100 4.447 4.350 -0.006 0.000 0.286 457 T C 1.142 175.889 174.700 0.079 0.000 0.997 457 T CA -0.756 61.413 62.100 0.116 0.000 0.982 457 T CB 0.934 69.870 68.868 0.114 0.000 1.027 457 T HN 0.608 nan 8.240 nan 0.000 0.529 458 K N 0.834 121.258 120.400 0.040 0.000 2.057 458 K HA 0.093 4.409 4.320 -0.006 0.000 0.207 458 K C 2.408 179.007 176.600 -0.002 0.000 1.049 458 K CA 1.771 58.063 56.287 0.008 0.000 0.931 458 K CB -1.228 31.273 32.500 0.002 0.000 0.714 458 K HN 0.752 nan 8.250 nan 0.000 0.440 459 A N 0.621 123.448 122.820 0.011 0.000 1.972 459 A HA -0.157 4.159 4.320 -0.006 0.000 0.219 459 A C 1.938 179.503 177.584 -0.031 0.000 1.169 459 A CA 1.765 53.795 52.037 -0.012 0.000 0.635 459 A CB -0.439 18.561 19.000 -0.001 0.000 0.810 459 A HN 0.515 nan 8.150 nan 0.000 0.446 460 E N -0.732 119.482 120.200 0.024 0.000 2.072 460 E HA -0.172 4.174 4.350 -0.006 0.000 0.190 460 E C 2.048 178.631 176.600 -0.027 0.000 0.982 460 E CA 0.922 57.366 56.400 0.074 0.000 0.803 460 E CB -0.152 29.686 29.700 0.231 0.000 0.755 460 E HN 0.809 nan 8.360 nan 0.000 0.453 461 E N 1.063 121.211 120.200 -0.086 0.000 2.097 461 E HA -0.232 4.114 4.350 -0.006 0.000 0.196 461 E C 2.032 178.566 176.600 -0.110 0.000 1.000 461 E CA 1.111 57.423 56.400 -0.146 0.000 0.804 461 E CB -0.053 29.575 29.700 -0.120 0.000 0.740 461 E HN 0.239 nan 8.360 nan 0.000 0.454 462 I N 0.525 121.053 120.570 -0.070 0.000 2.252 462 I HA -0.229 3.937 4.170 -0.006 0.000 0.245 462 I C 2.525 178.612 176.117 -0.049 0.000 1.102 462 I CA 0.353 61.618 61.300 -0.059 0.000 1.385 462 I CB -0.220 37.752 38.000 -0.047 0.000 1.064 462 I HN 0.232 nan 8.210 nan 0.000 0.414 463 L N 0.250 121.445 121.223 -0.047 0.000 2.012 463 L HA -0.234 4.103 4.340 -0.006 0.000 0.210 463 L C 2.636 179.522 176.870 0.027 0.000 1.073 463 L CA 2.085 56.899 54.840 -0.044 0.000 0.748 463 L CB -0.808 41.169 42.059 -0.137 0.000 0.891 463 L HN 0.188 nan 8.230 nan 0.000 0.431 464 S N -0.893 114.853 115.700 0.077 0.000 2.356 464 S HA -0.245 4.221 4.470 -0.006 0.000 0.223 464 S C 2.263 176.815 174.600 -0.079 0.000 1.032 464 S CA 1.323 59.528 58.200 0.008 0.000 1.005 464 S CB -0.397 62.669 63.200 -0.224 0.000 0.867 464 S HN 0.524 nan 8.310 nan 0.000 0.449 465 R N 1.274 121.722 120.500 -0.087 0.000 2.105 465 R HA 0.014 4.351 4.340 -0.006 0.000 0.239 465 R C 2.494 178.775 176.300 -0.031 0.000 1.135 465 R CA 2.145 58.202 56.100 -0.072 0.000 0.967 465 R CB -1.223 29.031 30.300 -0.076 0.000 0.861 465 R HN 0.426 nan 8.270 nan 0.000 0.442 466 S N -0.663 115.026 115.700 -0.019 0.000 2.357 466 S HA 0.014 4.481 4.470 -0.006 0.000 0.221 466 S C 1.925 176.551 174.600 0.044 0.000 1.031 466 S CA 1.097 59.307 58.200 0.018 0.000 0.982 466 S CB -0.209 62.998 63.200 0.012 0.000 0.853 466 S HN 0.391 nan 8.310 nan 0.000 0.458 467 I N 1.245 121.806 120.570 -0.016 0.000 2.163 467 I HA -0.147 4.020 4.170 -0.006 0.000 0.243 467 I C 2.336 178.414 176.117 -0.065 0.000 1.085 467 I CA 1.032 62.278 61.300 -0.090 0.000 1.347 467 I CB -0.481 37.315 38.000 -0.340 0.000 1.044 467 I HN 0.188 nan 8.210 nan 0.000 0.408 468 V N 1.049 120.900 119.914 -0.105 0.000 2.282 468 V HA -0.337 3.779 4.120 -0.006 0.000 0.249 468 V C 2.567 178.700 176.094 0.066 0.000 1.057 468 V CA 2.122 64.388 62.300 -0.057 0.000 1.032 468 V CB -0.681 31.102 31.823 -0.068 0.000 0.645 468 V HN 0.376 nan 8.190 nan 0.000 0.447 469 K N 0.638 121.083 120.400 0.076 0.000 2.032 469 K HA -0.172 4.144 4.320 -0.006 0.000 0.209 469 K C 2.217 178.919 176.600 0.170 0.000 1.048 469 K CA 1.694 58.045 56.287 0.107 0.000 0.927 469 K CB -0.436 32.118 32.500 0.091 0.000 0.712 469 K HN 0.402 nan 8.250 nan 0.000 0.441 470 R N -1.119 119.529 120.500 0.247 0.000 2.073 470 R HA -0.102 4.234 4.340 -0.006 0.000 0.234 470 R C 2.481 178.981 176.300 0.333 0.000 1.134 470 R CA 1.715 58.007 56.100 0.320 0.000 0.952 470 R CB -0.531 30.066 30.300 0.495 0.000 0.850 470 R HN 0.385 nan 8.270 nan 0.000 0.433 471 W N 0.504 121.810 121.300 0.010 0.000 2.358 471 W HA -0.162 4.495 4.660 -0.005 0.000 0.303 471 W C 2.337 178.830 176.519 -0.044 0.000 1.208 471 W CA 0.853 58.179 57.345 -0.033 0.000 1.274 471 W CB -0.098 29.296 29.460 -0.110 0.000 1.138 471 W HN 0.256 nan 8.180 nan 0.000 0.515 472 A N 0.252 123.159 122.820 0.144 0.000 1.929 472 A HA -0.186 4.131 4.320 -0.006 0.000 0.216 472 A C 1.696 179.238 177.584 -0.071 0.000 1.176 472 A CA 1.578 53.615 52.037 0.000 0.000 0.628 472 A CB -0.880 18.121 19.000 0.001 0.000 0.816 472 A HN 0.192 nan 8.150 nan 0.000 0.444 473 N N -0.977 117.736 118.700 0.021 0.000 2.244 473 N HA -0.091 4.645 4.740 -0.006 0.000 0.183 473 N C 1.321 176.805 175.510 -0.044 0.000 1.016 473 N CA 1.055 54.122 53.050 0.028 0.000 0.866 473 N CB -0.552 38.042 38.487 0.178 0.000 0.980 473 N HN 0.482 nan 8.380 nan 0.000 0.430 474 F N 1.797 121.638 119.950 -0.182 0.000 2.069 474 F HA -0.178 4.345 4.527 -0.007 0.000 0.298 474 F C 2.176 177.848 175.800 -0.213 0.000 1.113 474 F CA 1.566 59.410 58.000 -0.259 0.000 1.214 474 F CB -0.658 38.111 39.000 -0.384 0.000 0.978 474 F HN 0.046 nan 8.300 nan 0.000 0.474 475 A N 0.153 122.827 122.820 -0.244 0.000 1.883 475 A HA -0.230 4.086 4.320 -0.006 0.000 0.217 475 A C 2.239 179.592 177.584 -0.385 0.000 1.186 475 A CA 2.148 53.999 52.037 -0.311 0.000 0.624 475 A CB -0.722 18.164 19.000 -0.191 0.000 0.822 475 A HN 0.493 nan 8.150 nan 0.000 0.444 476 K N -2.014 118.092 120.400 -0.490 0.000 2.103 476 K HA -0.057 4.259 4.320 -0.006 0.000 0.204 476 K C 1.012 177.253 176.600 -0.599 0.000 1.052 476 K CA 1.678 57.533 56.287 -0.719 0.000 0.945 476 K CB -0.179 31.499 32.500 -1.369 0.000 0.722 476 K HN 0.743 nan 8.250 nan 0.000 0.443 477 Y N -1.458 118.748 120.300 -0.157 0.000 2.563 477 Y HA 0.264 4.810 4.550 -0.006 0.000 0.250 477 Y C 1.000 176.797 175.900 -0.172 0.000 1.126 477 Y CA -0.281 57.742 58.100 -0.128 0.000 1.231 477 Y CB 1.535 39.952 38.460 -0.072 0.000 1.288 477 Y HN 0.143 nan 8.280 nan 0.000 0.537 478 G N 1.679 110.326 108.800 -0.255 0.000 2.160 478 G HA2 -0.304 3.652 3.960 -0.006 0.000 0.251 478 G HA3 -0.304 3.652 3.960 -0.006 0.000 0.251 478 G C -0.399 174.443 174.900 -0.096 0.000 1.008 478 G CA 0.330 45.221 45.100 -0.348 0.000 0.724 478 G HN 0.349 nan 8.290 nan 0.000 0.514 479 N N -0.311 118.328 118.700 -0.103 0.000 2.571 479 N HA 0.385 5.121 4.740 -0.006 0.000 0.286 479 N C -2.757 172.605 175.510 -0.247 0.000 1.138 479 N CA -1.478 51.440 53.050 -0.220 0.000 0.859 479 N CB 2.306 40.779 38.487 -0.023 0.000 1.414 479 N HN -0.037 nan 8.380 nan 0.000 0.529 480 P HA 0.103 nan 4.420 nan 0.000 0.235 480 P C -0.517 176.790 177.300 0.012 0.000 1.725 480 P CA -0.080 62.832 63.100 -0.313 0.000 0.894 480 P CB 0.075 31.265 31.700 -0.851 0.000 1.704 481 Q N 0.591 120.414 119.800 0.039 0.000 2.260 481 Q HA 0.243 4.579 4.340 -0.006 0.000 0.242 481 Q C 0.270 176.362 176.000 0.153 0.000 0.932 481 Q CA -0.068 55.819 55.803 0.140 0.000 0.891 481 Q CB 1.343 30.144 28.738 0.105 0.000 1.222 481 Q HN 0.160 nan 8.270 nan 0.000 0.453 482 E N 1.776 122.070 120.200 0.157 0.000 2.063 482 E HA 0.121 4.467 4.350 -0.006 0.000 0.265 482 E C 0.046 176.703 176.600 0.094 0.000 0.919 482 E CA -0.219 56.254 56.400 0.122 0.000 0.756 482 E CB 0.708 30.477 29.700 0.115 0.000 1.120 482 E HN 0.682 nan 8.360 nan 0.000 0.414 483 T N 0.882 115.483 114.554 0.079 0.000 3.100 483 T HA 0.055 4.402 4.350 -0.006 0.000 0.253 483 T C 1.141 175.869 174.700 0.047 0.000 1.118 483 T CA 0.487 62.623 62.100 0.060 0.000 1.058 483 T CB 0.232 69.126 68.868 0.044 0.000 0.953 483 T HN 0.340 nan 8.240 nan 0.000 0.515 484 Q N 0.636 120.463 119.800 0.046 0.000 2.394 484 Q HA 0.243 4.579 4.340 -0.006 0.000 0.218 484 Q C 0.467 176.485 176.000 0.030 0.000 0.907 484 Q CA 0.213 56.036 55.803 0.034 0.000 0.919 484 Q CB 0.381 29.139 28.738 0.032 0.000 1.051 484 Q HN 0.338 nan 8.270 nan 0.000 0.538 485 N N 1.868 120.588 118.700 0.033 0.000 2.671 485 N HA 0.082 4.818 4.740 -0.006 0.000 0.303 485 N C -0.970 174.556 175.510 0.027 0.000 1.351 485 N CA -0.011 53.054 53.050 0.025 0.000 0.991 485 N CB 0.379 38.877 38.487 0.020 0.000 1.307 485 N HN 0.119 nan 8.380 nan 0.000 0.512 486 N N -1.043 117.675 118.700 0.030 0.000 2.696 486 N HA -0.193 4.543 4.740 -0.006 0.000 0.249 486 N C -0.591 174.940 175.510 0.036 0.000 1.090 486 N CA 0.707 53.775 53.050 0.031 0.000 0.716 486 N CB -1.765 36.736 38.487 0.023 0.000 1.020 486 N HN 0.157 nan 8.380 nan 0.000 0.548 487 S N 0.242 115.970 115.700 0.046 0.000 2.579 487 S HA 0.124 4.591 4.470 -0.006 0.000 0.275 487 S C 0.832 175.469 174.600 0.062 0.000 1.345 487 S CA -0.155 58.076 58.200 0.052 0.000 1.031 487 S CB 0.678 63.919 63.200 0.069 0.000 0.892 487 S HN 0.254 nan 8.310 nan 0.000 0.529 488 T N 3.032 117.618 114.554 0.054 0.000 2.905 488 T HA 0.006 4.352 4.350 -0.006 0.000 0.299 488 T C 0.533 175.299 174.700 0.111 0.000 1.024 488 T CA 0.263 62.400 62.100 0.063 0.000 1.151 488 T CB 0.305 69.192 68.868 0.032 0.000 0.987 488 T HN 0.545 nan 8.240 nan 0.000 0.535 489 S N 2.794 118.573 115.700 0.132 0.000 2.548 489 S HA 0.199 4.666 4.470 -0.006 0.000 0.277 489 S C -0.608 174.173 174.600 0.301 0.000 1.315 489 S CA -0.757 57.560 58.200 0.196 0.000 1.050 489 S CB 0.128 63.425 63.200 0.161 0.000 0.918 489 S HN 0.650 nan 8.310 nan 0.000 0.497 490 W N 8.287 129.679 121.300 0.154 0.000 2.311 490 W HA 0.436 5.091 4.660 -0.008 0.000 0.317 490 W C -2.595 174.126 176.519 0.338 0.000 1.065 490 W CA -3.110 54.371 57.345 0.226 0.000 1.364 490 W CB 0.390 29.967 29.460 0.194 0.000 1.233 490 W HN 0.497 nan 8.180 nan 0.000 0.409 491 P HA 0.094 nan 4.420 nan 0.000 0.274 491 P C -0.113 177.468 177.300 0.468 0.000 1.231 491 P CA -0.066 63.319 63.100 0.475 0.000 0.790 491 P CB 1.388 33.282 31.700 0.323 0.000 0.951 492 V N 0.238 120.267 119.914 0.192 0.000 2.924 492 V HA 0.265 4.382 4.120 -0.006 0.000 0.305 492 V C -0.085 176.064 176.094 0.092 0.000 1.073 492 V CA -0.605 61.617 62.300 -0.130 0.000 1.098 492 V CB -0.262 31.382 31.823 -0.298 0.000 1.000 492 V HN 0.382 nan 8.190 nan 0.000 0.484 493 F N 4.403 124.317 119.950 -0.060 0.000 2.424 493 F HA 0.623 5.148 4.527 -0.003 0.000 0.356 493 F C 0.218 176.021 175.800 0.006 0.000 1.110 493 F CA -0.173 57.866 58.000 0.064 0.000 1.161 493 F CB 0.521 39.606 39.000 0.141 0.000 1.115 493 F HN 0.531 nan 8.300 nan 0.000 0.507 494 K N 3.841 124.097 120.400 -0.240 0.000 2.318 494 K HA 0.355 4.671 4.320 -0.006 0.000 0.249 494 K C -0.529 175.874 176.600 -0.329 0.000 0.942 494 K CA -0.817 55.377 56.287 -0.155 0.000 0.808 494 K CB 2.033 34.469 32.500 -0.106 0.000 1.189 494 K HN 0.575 nan 8.250 nan 0.000 0.428 495 S N 0.839 116.455 115.700 -0.140 0.000 2.572 495 S HA 0.208 4.674 4.470 -0.006 0.000 0.279 495 S C 0.801 175.319 174.600 -0.138 0.000 1.341 495 S CA 1.057 59.176 58.200 -0.136 0.000 1.043 495 S CB 0.375 63.553 63.200 -0.038 0.000 0.887 495 S HN 0.851 nan 8.310 nan 0.000 0.516 496 T N 1.325 115.799 114.554 -0.133 0.000 13.993 496 T HA -0.248 4.099 4.350 -0.006 0.000 0.418 496 T C 0.987 175.604 174.700 -0.138 0.000 1.453 496 T CA 0.719 62.755 62.100 -0.108 0.000 2.357 496 T CB -1.805 67.015 68.868 -0.081 0.000 2.748 496 T HN 0.561 nan 8.240 nan 0.000 0.316 497 E N 2.506 122.607 120.200 -0.165 0.000 2.112 497 E HA 0.143 4.489 4.350 -0.006 0.000 0.190 497 E C 0.606 177.067 176.600 -0.233 0.000 0.979 497 E CA 0.687 56.996 56.400 -0.152 0.000 0.814 497 E CB -0.244 29.391 29.700 -0.108 0.000 0.762 497 E HN 0.853 nan 8.360 nan 0.000 0.460 498 Q N 1.103 120.600 119.800 -0.504 0.000 2.439 498 Q HA -0.215 4.121 4.340 -0.006 0.000 0.325 498 Q C -0.953 174.919 176.000 -0.214 0.000 1.372 498 Q CA 0.433 55.714 55.803 -0.871 0.000 0.909 498 Q CB -1.689 26.699 28.738 -0.584 0.000 1.167 498 Q HN 0.276 nan 8.270 nan 0.000 0.418 499 K N 1.114 121.470 120.400 -0.074 0.000 2.326 499 K HA 0.339 4.655 4.320 -0.006 0.000 0.275 499 K C -0.089 176.810 176.600 0.497 0.000 1.018 499 K CA 0.127 56.512 56.287 0.163 0.000 0.962 499 K CB 0.293 32.870 32.500 0.129 0.000 0.953 499 K HN 0.288 nan 8.250 nan 0.000 0.475 500 Y N -0.734 119.767 120.300 0.336 0.000 2.609 500 Y HA 0.618 5.164 4.550 -0.007 0.000 0.342 500 Y C -1.455 174.593 175.900 0.247 0.000 1.058 500 Y CA -1.769 56.614 58.100 0.471 0.000 1.055 500 Y CB 0.831 39.604 38.460 0.522 0.000 1.292 500 Y HN 0.335 nan 8.280 nan 0.000 0.476 501 L N 2.852 124.182 121.223 0.178 0.000 2.307 501 L HA 0.667 5.004 4.340 -0.006 0.000 0.284 501 L C -0.101 176.788 176.870 0.031 0.000 1.023 501 L CA -0.242 54.470 54.840 -0.213 0.000 0.810 501 L CB 1.700 43.169 42.059 -0.983 0.000 1.231 501 L HN 0.960 nan 8.230 nan 0.000 0.423 502 T N 3.243 117.819 114.554 0.036 0.000 2.889 502 T HA 0.605 4.952 4.350 -0.006 0.000 0.291 502 T C -0.210 174.504 174.700 0.023 0.000 0.995 502 T CA -0.622 61.577 62.100 0.166 0.000 1.092 502 T CB 0.623 69.599 68.868 0.180 0.000 0.954 502 T HN 0.502 nan 8.240 nan 0.000 0.506 503 L N 3.952 125.187 121.223 0.021 0.000 2.319 503 L HA 0.602 4.938 4.340 -0.006 0.000 0.281 503 L C -0.257 176.448 176.870 -0.275 0.000 1.005 503 L CA -0.788 53.994 54.840 -0.097 0.000 0.828 503 L CB 0.893 42.957 42.059 0.009 0.000 1.227 503 L HN 0.991 nan 8.230 nan 0.000 0.415 504 N N -0.882 117.678 118.700 -0.233 0.000 3.020 504 N HA 0.269 5.006 4.740 -0.006 0.000 0.248 504 N C 0.337 175.721 175.510 -0.210 0.000 1.480 504 N CA -0.327 52.571 53.050 -0.253 0.000 0.874 504 N CB 0.938 39.339 38.487 -0.144 0.000 1.433 504 N HN 0.279 nan 8.380 nan 0.000 0.530 505 T N -3.076 111.365 114.554 -0.188 0.000 2.985 505 T HA 0.046 4.392 4.350 -0.006 0.000 0.266 505 T C 0.674 175.329 174.700 -0.076 0.000 1.076 505 T CA 1.246 63.251 62.100 -0.159 0.000 1.135 505 T CB -0.339 68.441 68.868 -0.146 0.000 0.890 505 T HN 0.554 nan 8.240 nan 0.000 0.480 506 E N 2.509 122.680 120.200 -0.048 0.000 2.012 506 E HA 0.155 4.501 4.350 -0.006 0.000 0.192 506 E C 0.819 177.403 176.600 -0.027 0.000 0.977 506 E CA 0.925 57.309 56.400 -0.026 0.000 0.832 506 E CB 0.027 29.720 29.700 -0.011 0.000 0.790 506 E HN 0.617 nan 8.360 nan 0.000 0.466 507 S N -0.073 115.613 115.700 -0.025 0.000 2.575 507 S HA 0.439 4.905 4.470 -0.006 0.000 0.278 507 S C -0.465 174.120 174.600 -0.026 0.000 1.139 507 S CA -0.941 57.246 58.200 -0.021 0.000 0.954 507 S CB 1.390 64.584 63.200 -0.011 0.000 1.054 507 S HN 0.198 nan 8.310 nan 0.000 0.483 508 T N 1.195 115.731 114.554 -0.031 0.000 2.806 508 T HA 0.655 5.002 4.350 -0.006 0.000 0.290 508 T C -0.148 174.530 174.700 -0.037 0.000 0.966 508 T CA -0.768 61.308 62.100 -0.040 0.000 1.060 508 T CB 0.432 69.266 68.868 -0.058 0.000 0.927 508 T HN 0.756 nan 8.240 nan 0.000 0.485 509 R N 1.901 122.374 120.500 -0.045 0.000 2.787 509 R HA 0.595 4.931 4.340 -0.006 0.000 0.271 509 R C -0.438 175.795 176.300 -0.112 0.000 0.993 509 R CA -1.139 54.924 56.100 -0.061 0.000 0.993 509 R CB 1.142 31.411 30.300 -0.051 0.000 1.155 509 R HN 0.500 nan 8.270 nan 0.000 0.486 510 I N 3.222 123.730 120.570 -0.104 0.000 2.325 510 I HA 0.278 4.445 4.170 -0.006 0.000 0.291 510 I C 0.157 176.136 176.117 -0.229 0.000 1.019 510 I CA -0.094 61.123 61.300 -0.139 0.000 1.302 510 I CB 0.685 38.662 38.000 -0.038 0.000 1.401 510 I HN 0.498 nan 8.210 nan 0.000 0.485 511 M N 4.870 124.173 119.600 -0.495 0.000 2.819 511 M HA 0.588 5.064 4.480 -0.006 0.000 0.300 511 M C 0.020 176.074 176.300 -0.410 0.000 1.237 511 M CA -0.632 54.339 55.300 -0.547 0.000 0.813 511 M CB 2.022 34.023 32.600 -0.999 0.000 1.755 511 M HN 0.585 nan 8.290 nan 0.000 0.484 512 T N -2.272 112.237 114.554 -0.076 0.000 2.912 512 T HA 0.549 4.895 4.350 -0.006 0.000 0.299 512 T C -0.632 174.237 174.700 0.281 0.000 1.052 512 T CA -0.900 61.284 62.100 0.139 0.000 0.996 512 T CB 1.864 70.749 68.868 0.029 0.000 1.070 512 T HN 0.661 nan 8.240 nan 0.000 0.465 513 K N 0.811 121.344 120.400 0.222 0.000 3.393 513 K HA -0.150 4.166 4.320 -0.006 0.000 0.272 513 K C -0.130 176.505 176.600 0.059 0.000 1.004 513 K CA -0.175 56.165 56.287 0.089 0.000 0.764 513 K CB -1.467 31.059 32.500 0.044 0.000 1.373 513 K HN 0.654 nan 8.250 nan 0.000 0.458 514 L N 1.778 122.950 121.223 -0.085 0.000 2.615 514 L HA -0.072 4.264 4.340 -0.006 0.000 0.284 514 L C 0.744 177.535 176.870 -0.130 0.000 1.237 514 L CA 0.897 55.552 54.840 -0.309 0.000 0.905 514 L CB 0.110 41.682 42.059 -0.812 0.000 1.149 514 L HN 0.405 nan 8.230 nan 0.000 0.499 515 R N 2.801 123.265 120.500 -0.060 0.000 3.405 515 R HA -0.280 4.056 4.340 -0.006 0.000 0.258 515 R C 1.185 177.518 176.300 0.054 0.000 1.030 515 R CA 0.802 56.922 56.100 0.033 0.000 0.691 515 R CB -2.472 27.880 30.300 0.087 0.000 1.093 515 R HN 0.872 nan 8.270 nan 0.000 0.448 516 A N 0.531 123.371 122.820 0.034 0.000 1.883 516 A HA -0.234 4.082 4.320 -0.006 0.000 0.217 516 A C 2.159 179.778 177.584 0.058 0.000 1.186 516 A CA 1.687 53.749 52.037 0.043 0.000 0.624 516 A CB -0.212 18.806 19.000 0.031 0.000 0.822 516 A HN 0.545 nan 8.150 nan 0.000 0.444 517 Q N -1.235 118.590 119.800 0.042 0.000 2.083 517 Q HA -0.215 4.121 4.340 -0.006 0.000 0.198 517 Q C 2.355 178.376 176.000 0.034 0.000 0.969 517 Q CA 1.644 57.462 55.803 0.026 0.000 0.838 517 Q CB -0.098 28.632 28.738 -0.013 0.000 0.900 517 Q HN 0.773 nan 8.270 nan 0.000 0.436 518 Q N -0.605 119.226 119.800 0.051 0.000 2.096 518 Q HA -0.168 4.169 4.340 -0.006 0.000 0.204 518 Q C 2.061 178.269 176.000 0.346 0.000 0.982 518 Q CA 1.683 57.576 55.803 0.151 0.000 0.850 518 Q CB -0.272 28.628 28.738 0.271 0.000 0.901 518 Q HN 0.368 nan 8.270 nan 0.000 0.422 519 c N -0.196 118.577 118.600 0.289 0.000 2.485 519 c HA 0.075 4.642 4.570 -0.006 0.000 0.277 519 c C 2.353 176.583 174.090 0.234 0.000 1.376 519 c CA -0.136 56.389 56.329 0.328 0.000 1.759 519 c CB -0.644 41.998 42.510 0.219 0.000 1.970 519 c HN 0.454 nan 8.230 nan 0.000 0.509 520 R N 0.275 120.869 120.500 0.157 0.000 2.096 520 R HA -0.187 4.150 4.340 -0.006 0.000 0.240 520 R C 2.037 178.403 176.300 0.110 0.000 1.139 520 R CA 1.915 58.084 56.100 0.116 0.000 0.952 520 R CB -0.596 29.756 30.300 0.086 0.000 0.854 520 R HN 0.582 nan 8.270 nan 0.000 0.436 521 F N -0.090 119.809 119.950 -0.085 0.000 2.069 521 F HA -0.252 4.271 4.527 -0.007 0.000 0.298 521 F C 1.690 177.411 175.800 -0.131 0.000 1.113 521 F CA 1.631 59.480 58.000 -0.251 0.000 1.214 521 F CB -0.425 38.197 39.000 -0.630 0.000 0.978 521 F HN 0.029 nan 8.300 nan 0.000 0.474 522 W N -0.097 121.233 121.300 0.050 0.000 2.418 522 W HA -0.086 4.570 4.660 -0.007 0.000 0.292 522 W C 2.548 179.066 176.519 -0.002 0.000 1.213 522 W CA 1.473 58.804 57.345 -0.024 0.000 1.283 522 W CB -0.767 28.805 29.460 0.186 0.000 1.119 522 W HN -0.141 nan 8.180 nan 0.000 0.542 523 T N -1.205 113.493 114.554 0.238 0.000 2.976 523 T HA -0.063 4.284 4.350 -0.006 0.000 0.257 523 T C 1.736 176.486 174.700 0.084 0.000 1.051 523 T CA 1.612 63.809 62.100 0.162 0.000 1.141 523 T CB -0.169 68.790 68.868 0.152 0.000 0.881 523 T HN -0.041 nan 8.240 nan 0.000 0.461 524 S N 0.617 116.354 115.700 0.061 0.000 2.510 524 S HA 0.227 4.693 4.470 -0.006 0.000 0.230 524 S C 1.502 176.117 174.600 0.025 0.000 1.066 524 S CA -0.140 58.090 58.200 0.051 0.000 0.941 524 S CB -0.301 62.943 63.200 0.075 0.000 0.829 524 S HN 0.418 nan 8.310 nan 0.000 0.530 525 F N 2.133 122.001 119.950 -0.137 0.000 2.074 525 F HA 0.169 4.692 4.527 -0.007 0.000 0.290 525 F C 1.876 177.533 175.800 -0.237 0.000 1.118 525 F CA 0.695 58.578 58.000 -0.195 0.000 1.199 525 F CB -0.821 38.023 39.000 -0.260 0.000 1.012 525 F HN 0.171 nan 8.300 nan 0.000 0.472 526 F N 2.095 121.329 119.950 -1.194 0.000 2.154 526 F HA -0.100 4.423 4.527 -0.007 0.000 0.301 526 F C -0.948 174.497 175.800 -0.593 0.000 1.087 526 F CA 1.382 58.713 58.000 -1.116 0.000 1.274 526 F CB -1.708 36.807 39.000 -0.809 0.000 1.009 526 F HN 0.008 nan 8.300 nan 0.000 0.485 527 P HA -0.128 nan 4.420 nan 0.000 0.236 527 P C 0.829 177.966 177.300 -0.272 0.000 1.172 527 P CA 1.356 64.367 63.100 -0.149 0.000 0.759 527 P CB -0.148 31.537 31.700 -0.024 0.000 0.843 528 K N -0.415 119.718 120.400 -0.446 0.000 2.166 528 K HA 0.038 4.354 4.320 -0.006 0.000 0.201 528 K C 1.270 177.667 176.600 -0.339 0.000 1.052 528 K CA 0.421 56.508 56.287 -0.333 0.000 0.969 528 K CB -0.529 31.802 32.500 -0.282 0.000 0.761 528 K HN 0.109 nan 8.250 nan 0.000 0.459 529 V N 0.000 119.584 119.914 -0.550 0.000 2.409 529 V HA 0.000 4.116 4.120 -0.006 0.000 0.244 529 V CA 0.000 62.082 62.300 -0.363 0.000 1.235 529 V CB 0.000 31.524 31.823 -0.498 0.000 1.184 529 V HN 0.000 nan 8.190 nan 0.000 0.556