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 2wij_1_A DATA FIRST_RESID 3 DATA SEQUENCE DIIIATKNGK VRGMQLTVFG GTVTAFLGIP YAQPPLGRLR FKKPQSLTKW DATA SEQUENCE SDIWNATKYA 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 0.000 176.319 176.300 0.032 0.000 2.045 3 D CA 0.000 54.009 54.000 0.016 0.000 0.868 3 D CB 0.000 40.813 40.800 0.022 0.000 0.688 4 I N 2.954 123.545 120.570 0.035 0.000 2.330 4 I HA 0.524 4.691 4.170 -0.005 0.000 0.286 4 I C -0.170 176.044 176.117 0.161 0.000 1.025 4 I CA -0.676 60.675 61.300 0.084 0.000 1.197 4 I CB 0.779 38.818 38.000 0.065 0.000 1.358 4 I HN 0.224 nan 8.210 nan 0.000 0.467 5 I N 6.611 127.271 120.570 0.149 0.000 2.509 5 I HA 0.517 4.684 4.170 -0.005 0.000 0.293 5 I C -0.548 175.628 176.117 0.097 0.000 1.020 5 I CA -0.346 61.056 61.300 0.170 0.000 1.088 5 I CB 1.790 39.860 38.000 0.116 0.000 1.267 5 I HN 0.300 nan 8.210 nan 0.000 0.430 6 I N 4.762 125.362 120.570 0.050 0.000 2.509 6 I HA 0.529 4.696 4.170 -0.005 0.000 0.293 6 I C 0.019 176.040 176.117 -0.160 0.000 1.020 6 I CA -0.782 60.391 61.300 -0.212 0.000 1.088 6 I CB 1.854 39.415 38.000 -0.732 0.000 1.267 6 I HN 0.581 nan 8.210 nan 0.000 0.430 7 A N 4.804 127.520 122.820 -0.172 0.000 2.309 7 A HA 0.608 4.925 4.320 -0.005 0.000 0.290 7 A C 0.412 177.898 177.584 -0.163 0.000 1.206 7 A CA -0.255 51.709 52.037 -0.122 0.000 0.850 7 A CB 0.192 19.131 19.000 -0.102 0.000 1.118 7 A HN 0.805 nan 8.150 nan 0.000 0.523 8 T N -0.110 114.373 114.554 -0.118 0.000 2.937 8 T HA 0.390 4.737 4.350 -0.005 0.000 0.283 8 T C 0.843 175.434 174.700 -0.181 0.000 1.012 8 T CA -0.736 61.294 62.100 -0.116 0.000 0.997 8 T CB 0.965 69.873 68.868 0.067 0.000 1.136 8 T HN 0.467 nan 8.240 nan 0.000 0.551 9 K N 0.678 120.963 120.400 -0.191 0.000 2.280 9 K HA -0.037 4.280 4.320 -0.005 0.000 0.202 9 K C 1.264 177.732 176.600 -0.221 0.000 1.047 9 K CA 1.032 57.210 56.287 -0.182 0.000 0.942 9 K CB -0.173 32.227 32.500 -0.166 0.000 0.739 9 K HN 0.564 nan 8.250 nan 0.000 0.457 10 N N -0.208 118.310 118.700 -0.304 0.000 2.220 10 N HA 0.055 4.792 4.740 -0.005 0.000 0.195 10 N C 0.713 175.490 175.510 -1.221 0.000 1.123 10 N CA 0.453 53.192 53.050 -0.519 0.000 0.874 10 N CB 1.567 39.868 38.487 -0.309 0.000 0.995 10 N HN 0.185 nan 8.380 nan 0.000 0.498 11 G N 0.452 108.654 108.800 -0.997 0.000 2.356 11 G HA2 0.044 4.001 3.960 -0.005 0.000 0.288 11 G HA3 0.044 4.001 3.960 -0.005 0.000 0.288 11 G C -1.684 173.032 174.900 -0.307 0.000 1.302 11 G CA -0.833 43.629 45.100 -1.062 0.000 0.887 11 G HN -0.078 nan 8.290 nan 0.000 0.521 12 K N -0.690 119.738 120.400 0.047 0.000 2.098 12 K HA 0.687 5.003 4.320 -0.005 0.000 0.261 12 K C -0.085 176.853 176.600 0.564 0.000 0.987 12 K CA -0.532 55.906 56.287 0.253 0.000 0.916 12 K CB 1.986 34.608 32.500 0.204 0.000 1.039 12 K HN 1.126 nan 8.250 nan 0.000 0.455 13 V N -0.939 119.238 119.914 0.439 0.000 2.888 13 V HA 0.537 4.654 4.120 -0.005 0.000 0.309 13 V C -1.010 175.377 176.094 0.488 0.000 1.114 13 V CA -1.160 61.470 62.300 0.551 0.000 0.940 13 V CB 1.781 33.956 31.823 0.588 0.000 1.021 13 V HN 0.847 nan 8.190 nan 0.000 0.426 14 R N 2.663 123.421 120.500 0.430 0.000 2.346 14 R HA 0.791 5.128 4.340 -0.005 0.000 0.311 14 R C 0.202 176.631 176.300 0.215 0.000 0.983 14 R CA 0.241 56.522 56.100 0.300 0.000 0.880 14 R CB 1.592 31.985 30.300 0.155 0.000 1.100 14 R HN 1.188 nan 8.270 nan 0.000 0.453 15 G N 3.147 111.890 108.800 -0.095 0.000 2.795 15 G HA2 0.526 4.482 3.960 -0.005 0.000 0.267 15 G HA3 0.526 4.482 3.960 -0.005 0.000 0.267 15 G C -0.610 174.046 174.900 -0.406 0.000 1.362 15 G CA -0.869 43.806 45.100 -0.709 0.000 1.048 15 G HN 0.685 nan 8.290 nan 0.000 0.547 16 M N -1.105 118.235 119.600 -0.434 0.000 2.550 16 M HA 0.558 5.034 4.480 -0.005 0.000 0.292 16 M C -1.582 174.593 176.300 -0.207 0.000 1.221 16 M CA -0.938 54.215 55.300 -0.243 0.000 0.873 16 M CB 2.532 35.018 32.600 -0.190 0.000 1.727 16 M HN 0.293 nan 8.290 nan 0.000 0.459 17 Q N 2.824 122.548 119.800 -0.127 0.000 2.230 17 Q HA 0.737 5.074 4.340 -0.005 0.000 0.253 17 Q C -1.292 174.667 176.000 -0.069 0.000 0.919 17 Q CA -0.411 55.341 55.803 -0.084 0.000 0.908 17 Q CB 2.435 31.141 28.738 -0.053 0.000 1.245 17 Q HN 0.800 nan 8.270 nan 0.000 0.437 18 L N 0.749 121.938 121.223 -0.055 0.000 2.401 18 L HA 0.477 4.813 4.340 -0.005 0.000 0.266 18 L C -0.219 176.613 176.870 -0.062 0.000 0.991 18 L CA -0.803 54.000 54.840 -0.062 0.000 0.818 18 L CB 2.315 44.334 42.059 -0.066 0.000 1.321 18 L HN 0.418 nan 8.230 nan 0.000 0.413 19 T N 2.243 116.760 114.554 -0.062 0.000 2.771 19 T HA 0.535 4.882 4.350 -0.005 0.000 0.291 19 T C -0.305 174.333 174.700 -0.104 0.000 0.954 19 T CA -0.312 61.757 62.100 -0.052 0.000 1.045 19 T CB 1.149 70.004 68.868 -0.022 0.000 0.917 19 T HN 0.258 nan 8.240 nan 0.000 0.484 20 V N 4.439 124.273 119.914 -0.132 0.000 2.524 20 V HA 0.386 4.503 4.120 -0.005 0.000 0.297 20 V C -0.017 175.997 176.094 -0.135 0.000 1.035 20 V CA -1.108 61.004 62.300 -0.315 0.000 0.867 20 V CB 0.585 32.111 31.823 -0.496 0.000 1.004 20 V HN 1.088 nan 8.190 nan 0.000 0.426 21 F N 2.928 122.922 119.950 0.072 0.000 3.090 21 F HA -0.243 4.281 4.527 -0.006 0.000 0.282 21 F C 1.577 177.402 175.800 0.042 0.000 0.923 21 F CA 0.661 58.700 58.000 0.064 0.000 0.977 21 F CB -1.086 37.959 39.000 0.075 0.000 0.954 21 F HN 1.080 nan 8.300 nan 0.000 0.695 22 G N -0.188 108.721 108.800 0.181 0.000 2.182 22 G HA2 0.125 4.082 3.960 -0.005 0.000 0.248 22 G HA3 0.125 4.082 3.960 -0.005 0.000 0.248 22 G C 0.251 175.206 174.900 0.090 0.000 1.042 22 G CA 0.026 45.194 45.100 0.113 0.000 0.775 22 G HN 1.497 nan 8.290 nan 0.000 0.501 23 G N -2.267 106.578 108.800 0.075 0.000 2.682 23 G HA2 0.833 4.790 3.960 -0.005 0.000 0.303 23 G HA3 0.833 4.790 3.960 -0.005 0.000 0.303 23 G C -0.965 173.950 174.900 0.025 0.000 1.341 23 G CA 0.402 45.536 45.100 0.057 0.000 0.784 23 G HN 0.805 nan 8.290 nan 0.000 0.497 24 T N -0.096 114.472 114.554 0.023 0.000 2.881 24 T HA 0.617 4.964 4.350 -0.005 0.000 0.290 24 T C -0.794 173.916 174.700 0.016 0.000 1.000 24 T CA -0.308 61.797 62.100 0.008 0.000 0.978 24 T CB 1.819 70.696 68.868 0.015 0.000 0.997 24 T HN 0.477 nan 8.240 nan 0.000 0.443 25 V N 2.857 122.772 119.914 0.002 0.000 2.628 25 V HA 0.543 4.660 4.120 -0.005 0.000 0.306 25 V C 0.134 176.253 176.094 0.042 0.000 1.045 25 V CA -0.834 61.492 62.300 0.043 0.000 0.905 25 V CB 2.194 34.037 31.823 0.034 0.000 0.997 25 V HN 0.995 nan 8.190 nan 0.000 0.436 26 T N 3.748 118.346 114.554 0.074 0.000 2.767 26 T HA 0.683 5.029 4.350 -0.005 0.000 0.288 26 T C 0.005 174.693 174.700 -0.019 0.000 0.963 26 T CA -0.246 61.842 62.100 -0.020 0.000 1.019 26 T CB 1.355 70.236 68.868 0.020 0.000 0.923 26 T HN 0.932 nan 8.240 nan 0.000 0.468 27 A N 3.056 125.742 122.820 -0.224 0.000 2.318 27 A HA 0.771 5.087 4.320 -0.005 0.000 0.324 27 A C -0.910 176.370 177.584 -0.507 0.000 1.170 27 A CA -0.731 51.108 52.037 -0.330 0.000 0.810 27 A CB 0.358 19.170 19.000 -0.312 0.000 1.198 27 A HN 0.751 nan 8.150 nan 0.000 0.484 28 F N 3.088 122.872 119.950 -0.277 0.000 2.359 28 F HA 0.370 4.894 4.527 -0.005 0.000 0.370 28 F C -0.095 175.523 175.800 -0.303 0.000 1.077 28 F CA -0.405 57.504 58.000 -0.153 0.000 1.136 28 F CB 1.028 40.055 39.000 0.045 0.000 1.387 28 F HN 0.343 nan 8.300 nan 0.000 0.468 29 L N 2.756 123.855 121.223 -0.207 0.000 2.276 29 L HA 0.555 4.891 4.340 -0.005 0.000 0.286 29 L C 0.968 177.799 176.870 -0.065 0.000 1.061 29 L CA -0.590 54.074 54.840 -0.294 0.000 0.807 29 L CB 1.017 42.769 42.059 -0.512 0.000 1.177 29 L HN 0.875 nan 8.230 nan 0.000 0.429 30 G N 4.015 112.813 108.800 -0.005 0.000 2.291 30 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.271 30 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.271 30 G C -0.180 174.804 174.900 0.139 0.000 1.099 30 G CA -0.491 44.662 45.100 0.088 0.000 0.919 30 G HN 0.524 nan 8.290 nan 0.000 0.496 31 I N 1.787 122.343 120.570 -0.023 0.000 2.441 31 I HA 0.249 4.415 4.170 -0.005 0.000 0.287 31 I C -1.226 174.716 176.117 -0.291 0.000 1.049 31 I CA -2.179 58.947 61.300 -0.290 0.000 1.381 31 I CB 1.055 38.858 38.000 -0.327 0.000 1.409 31 I HN 0.033 nan 8.210 nan 0.000 0.523 32 P HA 0.031 nan 4.420 nan 0.000 0.274 32 P C -0.790 176.278 177.300 -0.385 0.000 1.237 32 P CA 0.262 62.999 63.100 -0.606 0.000 0.793 32 P CB 0.559 31.807 31.700 -0.754 0.000 0.977 33 Y N -0.619 119.429 120.300 -0.420 0.000 2.590 33 Y HA 0.725 5.272 4.550 -0.005 0.000 0.263 33 Y C -0.206 175.640 175.900 -0.089 0.000 1.069 33 Y CA -0.454 57.490 58.100 -0.260 0.000 1.242 33 Y CB 0.145 38.364 38.460 -0.401 0.000 1.357 33 Y HN 0.499 nan 8.280 nan 0.000 0.556 34 A N 0.416 122.952 122.820 -0.472 0.000 2.583 34 A HA 0.558 4.875 4.320 -0.005 0.000 0.289 34 A C -1.339 176.092 177.584 -0.256 0.000 1.151 34 A CA -0.937 50.935 52.037 -0.275 0.000 0.695 34 A CB 1.154 19.967 19.000 -0.310 0.000 1.290 34 A HN 0.071 nan 8.150 nan 0.000 0.419 35 Q N 0.866 120.582 119.800 -0.139 0.000 2.313 35 Q HA 0.287 4.624 4.340 -0.005 0.000 0.266 35 Q C -2.264 173.647 176.000 -0.149 0.000 0.989 35 Q CA -1.356 54.384 55.803 -0.104 0.000 0.890 35 Q CB 0.372 29.082 28.738 -0.047 0.000 1.200 35 Q HN 0.335 nan 8.270 nan 0.000 0.396 36 P HA 0.001 nan 4.420 nan 0.000 0.262 36 P C -2.355 174.886 177.300 -0.098 0.000 1.182 36 P CA -0.772 62.254 63.100 -0.122 0.000 0.761 36 P CB 0.033 31.703 31.700 -0.051 0.000 0.795 37 P HA 0.175 nan 4.420 nan 0.000 0.209 37 P C -0.746 176.489 177.300 -0.109 0.000 1.843 37 P CA 0.151 63.189 63.100 -0.104 0.000 0.985 37 P CB 0.014 31.647 31.700 -0.111 0.000 1.904 38 L N -0.600 120.571 121.223 -0.086 0.000 2.332 38 L HA 0.734 5.071 4.340 -0.005 0.000 0.269 38 L C 1.610 178.433 176.870 -0.078 0.000 1.016 38 L CA -0.455 54.334 54.840 -0.086 0.000 0.809 38 L CB 0.615 42.641 42.059 -0.056 0.000 1.280 38 L HN 0.291 nan 8.230 nan 0.000 0.447 39 G N 0.613 109.365 108.800 -0.081 0.000 2.620 39 G HA2 -0.394 3.562 3.960 -0.005 0.000 0.315 39 G HA3 -0.394 3.562 3.960 -0.005 0.000 0.315 39 G C 0.999 175.866 174.900 -0.054 0.000 1.179 39 G CA 0.882 45.948 45.100 -0.057 0.000 0.971 39 G HN 0.752 nan 8.290 nan 0.000 0.544 40 R N 0.491 120.971 120.500 -0.033 0.000 2.148 40 R HA 0.205 4.541 4.340 -0.005 0.000 0.227 40 R C 2.581 178.868 176.300 -0.022 0.000 1.103 40 R CA 1.493 57.583 56.100 -0.017 0.000 0.983 40 R CB -0.333 29.962 30.300 -0.009 0.000 0.874 40 R HN 0.550 nan 8.270 nan 0.000 0.451 41 L N 0.396 121.593 121.223 -0.044 0.000 2.558 41 L HA 0.105 4.442 4.340 -0.005 0.000 0.225 41 L C 1.111 177.930 176.870 -0.084 0.000 1.128 41 L CA -0.053 54.757 54.840 -0.050 0.000 0.868 41 L CB -0.237 41.789 42.059 -0.055 0.000 1.006 41 L HN 0.094 nan 8.230 nan 0.000 0.454 42 R N 0.618 121.030 120.500 -0.147 0.000 2.538 42 R HA -0.077 4.260 4.340 -0.005 0.000 0.282 42 R C 0.131 176.283 176.300 -0.247 0.000 1.009 42 R CA 0.247 56.148 56.100 -0.332 0.000 1.063 42 R CB 0.184 30.172 30.300 -0.521 0.000 0.945 42 R HN 0.094 nan 8.270 nan 0.000 0.414 43 F N 0.012 119.933 119.950 -0.049 0.000 2.705 43 F HA -0.324 4.199 4.527 -0.006 0.000 0.413 43 F C 0.111 175.882 175.800 -0.048 0.000 0.588 43 F CA 1.123 59.093 58.000 -0.050 0.000 1.187 43 F CB -1.474 37.503 39.000 -0.038 0.000 1.737 43 F HN 0.577 nan 8.300 nan 0.000 0.285 44 K N 0.977 121.429 120.400 0.087 0.000 2.090 44 K HA 0.465 4.781 4.320 -0.005 0.000 0.249 44 K C 0.465 177.055 176.600 -0.016 0.000 0.995 44 K CA -0.967 55.337 56.287 0.028 0.000 0.914 44 K CB 0.880 33.382 32.500 0.004 0.000 1.057 44 K HN -0.016 nan 8.250 nan 0.000 0.462 45 K N 2.303 122.666 120.400 -0.062 0.000 2.440 45 K HA 0.015 4.332 4.320 -0.005 0.000 0.270 45 K C -2.166 174.393 176.600 -0.068 0.000 0.980 45 K CA -0.997 55.222 56.287 -0.113 0.000 0.953 45 K CB -0.042 32.276 32.500 -0.303 0.000 0.925 45 K HN 0.382 nan 8.250 nan 0.000 0.497 46 P HA 0.006 nan 4.420 nan 0.000 0.275 46 P C -1.031 176.257 177.300 -0.020 0.000 1.227 46 P CA -0.052 63.036 63.100 -0.020 0.000 0.781 46 P CB 0.914 32.636 31.700 0.035 0.000 0.906 47 Q N 0.549 120.332 119.800 -0.030 0.000 2.297 47 Q HA 0.314 4.651 4.340 -0.005 0.000 0.268 47 Q C 0.294 176.296 176.000 0.004 0.000 1.045 47 Q CA -0.707 55.087 55.803 -0.015 0.000 0.861 47 Q CB 1.345 30.071 28.738 -0.021 0.000 1.344 47 Q HN 0.562 nan 8.270 nan 0.000 0.452 48 S N 0.438 116.152 115.700 0.023 0.000 2.558 48 S HA 0.101 4.568 4.470 -0.005 0.000 0.291 48 S C 0.225 174.852 174.600 0.046 0.000 1.306 48 S CA -0.624 57.604 58.200 0.047 0.000 1.056 48 S CB 0.241 63.467 63.200 0.044 0.000 0.836 48 S HN 0.454 nan 8.310 nan 0.000 0.504 49 L N 3.246 124.515 121.223 0.077 0.000 2.397 49 L HA 0.332 4.669 4.340 -0.005 0.000 0.271 49 L C 1.512 178.447 176.870 0.109 0.000 1.148 49 L CA 0.569 55.468 54.840 0.099 0.000 0.825 49 L CB 0.739 42.895 42.059 0.163 0.000 1.117 49 L HN 1.059 nan 8.230 nan 0.000 0.456 50 T N 1.244 115.875 114.554 0.129 0.000 2.978 50 T HA 0.095 4.442 4.350 -0.005 0.000 0.262 50 T C 0.104 174.870 174.700 0.110 0.000 1.063 50 T CA 0.432 62.598 62.100 0.110 0.000 1.140 50 T CB -0.279 68.654 68.868 0.108 0.000 0.886 50 T HN 0.699 nan 8.240 nan 0.000 0.470 51 K N -0.137 120.368 120.400 0.175 0.000 3.761 51 K HA -0.071 4.246 4.320 -0.005 0.000 0.922 51 K C -1.768 174.956 176.600 0.207 0.000 1.724 51 K CA -0.503 55.815 56.287 0.052 0.000 1.378 51 K CB -1.468 31.005 32.500 -0.045 0.000 3.328 51 K HN 0.586 nan 8.250 nan 0.000 0.156 52 W N 2.113 123.476 121.300 0.105 0.000 2.936 52 W HA 0.720 5.377 4.660 -0.006 0.000 0.338 52 W C -0.653 175.930 176.519 0.107 0.000 1.121 52 W CA -0.311 57.108 57.345 0.123 0.000 1.209 52 W CB 1.118 30.694 29.460 0.193 0.000 1.420 52 W HN 0.731 nan 8.180 nan 0.000 0.516 53 S N 1.417 117.260 115.700 0.239 0.000 2.730 53 S HA 0.704 5.171 4.470 -0.005 0.000 0.284 53 S C -0.722 174.060 174.600 0.303 0.000 1.153 53 S CA -0.272 58.028 58.200 0.167 0.000 0.995 53 S CB 1.067 64.330 63.200 0.105 0.000 1.058 53 S HN 0.700 nan 8.310 nan 0.000 0.552 54 D N -0.814 119.719 120.400 0.222 0.000 9.601 54 D HA -0.155 4.482 4.640 -0.005 0.000 0.351 54 D C -1.099 175.424 176.300 0.372 0.000 2.917 54 D CA 0.729 54.867 54.000 0.230 0.000 2.218 54 D CB -0.504 40.402 40.800 0.177 0.000 1.166 54 D HN 0.652 nan 8.370 nan 0.000 1.105 55 I N 0.644 121.382 120.570 0.281 0.000 2.330 55 I HA 0.173 4.340 4.170 -0.005 0.000 0.289 55 I C 0.094 176.380 176.117 0.283 0.000 1.001 55 I CA -0.682 60.819 61.300 0.334 0.000 1.193 55 I CB 0.922 39.048 38.000 0.210 0.000 1.345 55 I HN 0.266 nan 8.210 nan 0.000 0.461 56 W N 7.311 128.730 121.300 0.199 0.000 2.308 56 W HA 0.100 4.756 4.660 -0.005 0.000 0.324 56 W C -0.462 176.083 176.519 0.042 0.000 1.387 56 W CA -0.124 57.174 57.345 -0.078 0.000 1.250 56 W CB 0.537 29.798 29.460 -0.331 0.000 1.257 56 W HN 0.486 nan 8.180 nan 0.000 0.554 57 N N 5.139 123.688 118.700 -0.251 0.000 2.415 57 N HA 0.229 4.965 4.740 -0.005 0.000 0.246 57 N C -0.217 175.345 175.510 0.088 0.000 1.078 57 N CA 0.051 53.068 53.050 -0.054 0.000 0.942 57 N CB 1.365 39.745 38.487 -0.177 0.000 1.140 57 N HN 0.392 nan 8.380 nan 0.000 0.501 58 A N 1.847 124.870 122.820 0.338 0.000 3.094 58 A HA 0.269 4.586 4.320 -0.005 0.000 0.288 58 A C 0.973 178.590 177.584 0.055 0.000 1.519 58 A CA -0.486 51.739 52.037 0.313 0.000 1.227 58 A CB -0.552 18.696 19.000 0.413 0.000 1.175 58 A HN 0.554 nan 8.150 nan 0.000 0.568 59 T N -2.358 112.179 114.554 -0.027 0.000 3.043 59 T HA 0.321 4.668 4.350 -0.005 0.000 0.272 59 T C 0.267 174.881 174.700 -0.144 0.000 0.990 59 T CA 0.014 62.049 62.100 -0.108 0.000 0.897 59 T CB -0.363 68.449 68.868 -0.094 0.000 1.111 59 T HN 0.729 nan 8.240 nan 0.000 0.529 60 K N -0.204 120.115 120.400 -0.135 0.000 2.555 60 K HA 0.554 4.870 4.320 -0.005 0.000 0.279 60 K C -1.669 174.852 176.600 -0.132 0.000 0.986 60 K CA -1.159 55.031 56.287 -0.162 0.000 0.880 60 K CB 0.721 33.170 32.500 -0.085 0.000 1.474 60 K HN -0.109 nan 8.250 nan 0.000 0.433 61 Y N 0.892 121.165 120.300 -0.043 0.000 2.578 61 Y HA 0.270 4.817 4.550 -0.006 0.000 0.339 61 Y C 0.963 176.816 175.900 -0.079 0.000 1.231 61 Y CA 0.635 58.712 58.100 -0.038 0.000 1.461 61 Y CB 0.761 39.218 38.460 -0.006 0.000 1.323 61 Y HN 0.780 nan 8.280 nan 0.000 0.590 62 A N 2.503 125.372 122.820 0.081 0.000 2.274 62 A HA 0.399 4.716 4.320 -0.005 0.000 0.297 62 A C -0.118 177.431 177.584 -0.059 0.000 1.191 62 A CA -1.007 50.940 52.037 -0.149 0.000 0.889 62 A CB 0.177 18.859 19.000 -0.530 0.000 1.294 62 A HN 0.779 nan 8.150 nan 0.000 0.506 63 N N 0.831 119.469 118.700 -0.104 0.000 2.407 63 N HA 0.124 4.861 4.740 -0.005 0.000 0.250 63 N C -0.130 175.408 175.510 0.047 0.000 1.236 63 N CA 0.418 53.460 53.050 -0.013 0.000 0.879 63 N CB 0.280 38.776 38.487 0.014 0.000 1.088 63 N HN 0.487 nan 8.380 nan 0.000 0.450 64 S N 0.858 116.568 115.700 0.017 0.000 2.601 64 S HA 0.254 4.720 4.470 -0.005 0.000 0.271 64 S C 0.488 175.099 174.600 0.019 0.000 1.305 64 S CA -0.786 57.419 58.200 0.008 0.000 1.022 64 S CB 0.693 63.864 63.200 -0.047 0.000 0.940 64 S HN 0.497 nan 8.310 nan 0.000 0.525 65 c N 1.645 120.258 118.600 0.021 0.000 2.700 65 c HA 0.186 4.753 4.570 -0.005 0.000 0.397 65 c C 1.247 175.338 174.090 0.001 0.000 1.301 65 c CA -1.020 55.320 56.329 0.017 0.000 2.219 65 c CB -0.762 41.761 42.510 0.021 0.000 2.699 65 c HN 0.815 nan 8.230 nan 0.000 0.669 66 C N 3.052 122.352 119.300 0.000 0.000 2.642 66 C HA 0.442 4.898 4.460 -0.005 0.000 0.420 66 C C 0.278 175.273 174.990 0.009 0.000 1.349 66 C CA 0.247 59.264 59.018 -0.002 0.000 1.821 66 C CB -1.577 26.156 27.740 -0.012 0.000 2.637 66 C HN 0.965 nan 8.230 nan 0.000 0.605 67 Q N 2.560 122.366 119.800 0.009 0.000 2.617 67 Q HA 0.290 4.627 4.340 -0.005 0.000 0.270 67 Q C -1.523 174.488 176.000 0.018 0.000 0.967 67 Q CA -0.788 55.028 55.803 0.021 0.000 0.887 67 Q CB 0.628 29.376 28.738 0.016 0.000 1.516 67 Q HN 0.654 nan 8.270 nan 0.000 0.395 68 N N 0.940 119.655 118.700 0.026 0.000 2.381 68 N HA 0.287 5.024 4.740 -0.005 0.000 0.241 68 N C -0.760 174.764 175.510 0.023 0.000 1.279 68 N CA 0.302 53.365 53.050 0.022 0.000 0.896 68 N CB 0.475 38.973 38.487 0.018 0.000 1.118 68 N HN 0.453 nan 8.380 nan 0.000 0.438 69 I N 0.345 120.931 120.570 0.027 0.000 2.603 69 I HA 0.053 4.220 4.170 -0.005 0.000 0.300 69 I C 0.070 176.222 176.117 0.057 0.000 1.017 69 I CA -0.711 60.612 61.300 0.038 0.000 1.098 69 I CB 1.464 39.484 38.000 0.033 0.000 1.279 69 I HN 0.344 nan 8.210 nan 0.000 0.437 70 D N 4.312 124.766 120.400 0.089 0.000 2.342 70 D HA 0.101 4.738 4.640 -0.005 0.000 0.260 70 D C -0.053 176.326 176.300 0.131 0.000 1.278 70 D CA 0.390 54.473 54.000 0.140 0.000 0.910 70 D CB 0.632 41.566 40.800 0.224 0.000 1.079 70 D HN 0.447 nan 8.370 nan 0.000 0.496 71 Q N 1.801 121.651 119.800 0.083 0.000 2.188 71 Q HA 0.150 4.487 4.340 -0.005 0.000 0.212 71 Q C 1.314 177.299 176.000 -0.025 0.000 0.846 71 Q CA -0.230 55.600 55.803 0.045 0.000 0.989 71 Q CB 0.654 29.407 28.738 0.025 0.000 1.114 71 Q HN 0.317 nan 8.270 nan 0.000 0.488 72 S N 0.246 115.890 115.700 -0.093 0.000 2.402 72 S HA -0.003 4.464 4.470 -0.005 0.000 0.229 72 S C 0.137 174.328 174.600 -0.682 0.000 1.021 72 S CA 0.903 58.809 58.200 -0.490 0.000 0.974 72 S CB 0.143 62.859 63.200 -0.806 0.000 0.800 72 S HN 0.314 nan 8.310 nan 0.000 0.484 73 F N 1.206 121.231 119.950 0.126 0.000 2.584 73 F HA 0.407 4.931 4.527 -0.006 0.000 0.328 73 F C -2.928 172.949 175.800 0.128 0.000 1.407 73 F CA -2.981 55.084 58.000 0.108 0.000 1.145 73 F CB 0.234 39.339 39.000 0.175 0.000 1.440 73 F HN -0.148 nan 8.300 nan 0.000 0.580 74 P HA 0.215 nan 4.420 nan 0.000 0.265 74 P C 1.033 178.420 177.300 0.146 0.000 1.193 74 P CA 1.093 64.272 63.100 0.133 0.000 0.765 74 P CB 0.908 32.652 31.700 0.073 0.000 0.823 75 G N 1.763 110.635 108.800 0.122 0.000 2.217 75 G HA2 -0.264 3.693 3.960 -0.005 0.000 0.246 75 G HA3 -0.264 3.693 3.960 -0.005 0.000 0.246 75 G C -0.178 174.813 174.900 0.153 0.000 0.990 75 G CA -0.383 44.779 45.100 0.104 0.000 0.627 75 G HN 0.535 nan 8.290 nan 0.000 0.522 76 F N 1.963 121.914 119.950 0.003 0.000 2.405 76 F HA 0.732 5.256 4.527 -0.006 0.000 0.355 76 F C 1.213 176.966 175.800 -0.078 0.000 1.121 76 F CA -1.160 56.794 58.000 -0.077 0.000 1.112 76 F CB 1.157 40.076 39.000 -0.135 0.000 1.126 76 F HN 0.126 nan 8.300 nan 0.000 0.481 77 H N 4.318 122.984 119.070 -0.675 0.000 2.353 77 H HA -0.018 4.534 4.556 -0.005 0.000 0.300 77 H C 2.181 176.976 175.328 -0.888 0.000 1.090 77 H CA 2.076 57.738 56.048 -0.643 0.000 1.327 77 H CB -0.359 29.114 29.762 -0.482 0.000 1.383 77 H HN 0.811 nan 8.280 nan 0.000 0.508 78 G N -0.947 106.724 108.800 -1.881 0.000 2.547 78 G HA2 -0.361 3.595 3.960 -0.005 0.000 0.221 78 G HA3 -0.361 3.595 3.960 -0.005 0.000 0.221 78 G C 1.872 176.596 174.900 -0.294 0.000 1.140 78 G CA 1.871 46.042 45.100 -1.550 0.000 0.760 78 G HN 0.613 nan 8.290 nan 0.000 0.583 79 S N -0.719 114.841 115.700 -0.234 0.000 2.499 79 S HA 0.171 4.637 4.470 -0.005 0.000 0.225 79 S C 1.819 176.554 174.600 0.224 0.000 1.050 79 S CA 0.706 59.183 58.200 0.462 0.000 0.928 79 S CB 0.049 63.689 63.200 0.734 0.000 0.803 79 S HN 0.479 nan 8.310 nan 0.000 0.506 80 E N 2.210 122.387 120.200 -0.039 0.000 2.208 80 E HA -0.066 4.281 4.350 -0.005 0.000 0.193 80 E C 2.085 178.562 176.600 -0.205 0.000 0.988 80 E CA 1.244 57.612 56.400 -0.053 0.000 0.828 80 E CB -0.457 29.222 29.700 -0.035 0.000 0.763 80 E HN 0.816 nan 8.360 nan 0.000 0.478 81 M N -1.374 117.922 119.600 -0.506 0.000 2.346 81 M HA -0.123 4.353 4.480 -0.005 0.000 0.263 81 M C 1.127 177.003 176.300 -0.707 0.000 1.064 81 M CA 1.551 56.411 55.300 -0.733 0.000 1.083 81 M CB -0.580 31.295 32.600 -1.207 0.000 1.399 81 M HN 0.054 nan 8.290 nan 0.000 0.435 82 W N 1.086 122.283 121.300 -0.172 0.000 3.077 82 W HA 0.252 4.909 4.660 -0.005 0.000 0.266 82 W C 0.471 176.912 176.519 -0.131 0.000 1.300 82 W CA -0.884 56.367 57.345 -0.156 0.000 1.586 82 W CB -0.176 29.235 29.460 -0.082 0.000 1.103 82 W HN 0.113 nan 8.180 nan 0.000 0.652 83 N N 1.593 120.320 118.700 0.044 0.000 2.482 83 N HA 0.122 4.859 4.740 -0.005 0.000 0.260 83 N C -2.358 173.118 175.510 -0.056 0.000 1.236 83 N CA -1.258 51.802 53.050 0.016 0.000 0.938 83 N CB -0.108 38.392 38.487 0.022 0.000 1.128 83 N HN -0.317 nan 8.380 nan 0.000 0.448 84 P HA 0.060 nan 4.420 nan 0.000 0.267 84 P C 0.181 177.423 177.300 -0.096 0.000 1.200 84 P CA 0.047 63.090 63.100 -0.095 0.000 0.772 84 P CB 0.373 32.030 31.700 -0.071 0.000 0.855 85 N N -0.474 118.152 118.700 -0.124 0.000 2.291 85 N HA 0.071 4.807 4.740 -0.005 0.000 0.244 85 N C -0.565 174.893 175.510 -0.086 0.000 1.216 85 N CA -0.266 52.718 53.050 -0.109 0.000 0.879 85 N CB -0.103 38.300 38.487 -0.141 0.000 1.167 85 N HN 0.392 nan 8.380 nan 0.000 0.515 86 T N -3.500 111.010 114.554 -0.075 0.000 2.865 86 T HA 0.367 4.714 4.350 -0.005 0.000 0.294 86 T C -0.810 173.868 174.700 -0.036 0.000 1.119 86 T CA -0.789 61.286 62.100 -0.043 0.000 1.007 86 T CB 1.859 70.712 68.868 -0.025 0.000 1.225 86 T HN -0.074 nan 8.240 nan 0.000 0.515 87 D N 1.165 121.548 120.400 -0.027 0.000 2.423 87 D HA 0.168 4.805 4.640 -0.005 0.000 0.238 87 D C 0.141 176.430 176.300 -0.018 0.000 1.142 87 D CA 0.172 54.158 54.000 -0.023 0.000 0.884 87 D CB 0.750 41.536 40.800 -0.023 0.000 1.199 87 D HN 0.400 nan 8.370 nan 0.000 0.438 88 L N 1.340 122.554 121.223 -0.015 0.000 2.371 88 L HA 0.308 4.645 4.340 -0.005 0.000 0.272 88 L C 0.642 177.510 176.870 -0.003 0.000 1.124 88 L CA 0.047 54.882 54.840 -0.009 0.000 0.816 88 L CB 1.125 43.179 42.059 -0.009 0.000 1.129 88 L HN 0.267 nan 8.230 nan 0.000 0.448 89 S N 0.631 116.334 115.700 0.005 0.000 2.558 89 S HA 0.166 4.633 4.470 -0.005 0.000 0.277 89 S C 0.202 174.806 174.600 0.008 0.000 1.143 89 S CA -0.677 57.527 58.200 0.007 0.000 0.865 89 S CB 1.542 64.754 63.200 0.020 0.000 1.102 89 S HN 0.752 nan 8.310 nan 0.000 0.454 90 E N 1.046 121.238 120.200 -0.013 0.000 2.409 90 E HA -0.087 4.259 4.350 -0.005 0.000 0.198 90 E C -0.295 176.297 176.600 -0.014 0.000 1.024 90 E CA 0.630 57.011 56.400 -0.033 0.000 0.861 90 E CB 0.054 29.712 29.700 -0.070 0.000 0.788 90 E HN 0.509 nan 8.360 nan 0.000 0.521 91 D N 0.316 120.733 120.400 0.030 0.000 2.524 91 D HA 0.030 4.666 4.640 -0.005 0.000 0.222 91 D C 0.112 176.542 176.300 0.216 0.000 1.142 91 D CA -0.531 53.517 54.000 0.080 0.000 0.973 91 D CB -0.031 40.827 40.800 0.097 0.000 1.025 91 D HN 0.120 nan 8.370 nan 0.000 0.519 92 c N 1.931 120.621 118.600 0.150 0.000 3.911 92 c HA 0.373 4.940 4.570 -0.005 0.000 0.318 92 c C 0.782 174.977 174.090 0.175 0.000 1.643 92 c CA -0.613 55.864 56.329 0.247 0.000 1.845 92 c CB -1.241 41.341 42.510 0.120 0.000 2.981 92 c HN 0.437 nan 8.230 nan 0.000 0.656 93 L N 2.472 123.555 121.223 -0.235 0.000 2.376 93 L HA 0.329 4.666 4.340 -0.005 0.000 0.250 93 L C -0.819 175.458 176.870 -0.989 0.000 1.335 93 L CA 0.658 55.136 54.840 -0.603 0.000 1.214 93 L CB -0.942 40.632 42.059 -0.807 0.000 1.395 93 L HN 0.400 nan 8.230 nan 0.000 0.424 94 Y N 1.359 121.645 120.300 -0.023 0.000 2.570 94 Y HA 0.678 5.225 4.550 -0.005 0.000 0.345 94 Y C 0.007 176.057 175.900 0.250 0.000 1.014 94 Y CA -1.213 56.926 58.100 0.066 0.000 1.063 94 Y CB 1.901 40.373 38.460 0.020 0.000 1.272 94 Y HN 0.144 nan 8.280 nan 0.000 0.477 95 L N -0.437 120.900 121.223 0.191 0.000 2.303 95 L HA 0.769 5.106 4.340 -0.005 0.000 0.256 95 L C -1.287 175.536 176.870 -0.079 0.000 1.034 95 L CA -1.174 53.668 54.840 0.004 0.000 0.832 95 L CB 1.594 43.485 42.059 -0.280 0.000 1.403 95 L HN 0.444 nan 8.230 nan 0.000 0.419 96 N N -0.162 118.483 118.700 -0.092 0.000 2.269 96 N HA 0.730 5.466 4.740 -0.005 0.000 0.304 96 N C -1.473 173.876 175.510 -0.269 0.000 1.072 96 N CA -0.421 52.473 53.050 -0.259 0.000 0.802 96 N CB 2.878 41.133 38.487 -0.385 0.000 1.348 96 N HN 0.486 nan 8.380 nan 0.000 0.484 97 V N 1.398 121.113 119.914 -0.332 0.000 2.588 97 V HA 0.500 4.617 4.120 -0.005 0.000 0.304 97 V C -0.880 175.186 176.094 -0.045 0.000 1.042 97 V CA -0.737 61.489 62.300 -0.124 0.000 0.877 97 V CB 2.344 34.014 31.823 -0.256 0.000 0.996 97 V HN 0.555 nan 8.190 nan 0.000 0.425 98 W N 5.787 127.186 121.300 0.165 0.000 2.683 98 W HA 0.727 5.383 4.660 -0.005 0.000 0.329 98 W C -0.532 176.086 176.519 0.165 0.000 1.037 98 W CA -0.560 56.882 57.345 0.160 0.000 1.232 98 W CB 2.171 31.689 29.460 0.096 0.000 1.390 98 W HN 0.603 nan 8.180 nan 0.000 0.465 99 I N 2.205 123.016 120.570 0.401 0.000 2.689 99 I HA 0.660 4.826 4.170 -0.005 0.000 0.299 99 I C -2.505 173.752 176.117 0.234 0.000 1.059 99 I CA -2.979 58.507 61.300 0.311 0.000 1.055 99 I CB 2.623 40.840 38.000 0.363 0.000 1.243 99 I HN -0.051 nan 8.210 nan 0.000 0.425 100 P HA 0.341 nan 4.420 nan 0.000 0.276 100 P C -1.075 176.299 177.300 0.123 0.000 1.261 100 P CA -0.390 62.787 63.100 0.128 0.000 0.800 100 P CB 1.222 32.985 31.700 0.104 0.000 1.066 101 A N 1.491 124.367 122.820 0.093 0.000 2.343 101 A HA 0.702 5.018 4.320 -0.005 0.000 0.316 101 A C -2.438 175.186 177.584 0.067 0.000 1.104 101 A CA -1.546 50.539 52.037 0.080 0.000 0.768 101 A CB 0.147 19.184 19.000 0.063 0.000 1.213 101 A HN 0.381 nan 8.150 nan 0.000 0.456 102 P HA 0.201 nan 4.420 nan 0.000 0.274 102 P C -0.367 176.982 177.300 0.081 0.000 1.231 102 P CA -0.598 62.542 63.100 0.066 0.000 0.790 102 P CB 0.516 32.248 31.700 0.054 0.000 0.951 103 K N 2.652 123.107 120.400 0.091 0.000 2.511 103 K HA -0.021 4.296 4.320 -0.005 0.000 0.277 103 K C -1.749 174.905 176.600 0.090 0.000 1.025 103 K CA -0.653 55.699 56.287 0.108 0.000 1.112 103 K CB -0.322 32.237 32.500 0.097 0.000 0.859 103 K HN 0.389 nan 8.250 nan 0.000 0.485 104 P HA 0.071 nan 4.420 nan 0.000 0.274 104 P C -0.248 177.094 177.300 0.071 0.000 1.256 104 P CA -0.306 62.843 63.100 0.082 0.000 0.795 104 P CB 0.875 32.630 31.700 0.091 0.000 1.038 105 K N 0.211 120.645 120.400 0.057 0.000 2.168 105 K HA 0.031 4.348 4.320 -0.005 0.000 0.201 105 K C 0.555 177.182 176.600 0.045 0.000 1.049 105 K CA 1.050 57.365 56.287 0.047 0.000 0.974 105 K CB -0.036 32.487 32.500 0.039 0.000 0.792 105 K HN 0.384 nan 8.250 nan 0.000 0.463 106 N N 0.065 118.793 118.700 0.046 0.000 2.639 106 N HA 0.152 4.889 4.740 -0.005 0.000 0.265 106 N C -1.627 173.905 175.510 0.037 0.000 1.689 106 N CA -0.058 53.016 53.050 0.040 0.000 0.813 106 N CB 0.717 39.223 38.487 0.031 0.000 1.353 106 N HN 0.057 nan 8.380 nan 0.000 0.510 107 A N 0.201 123.050 122.820 0.048 0.000 2.407 107 A HA 0.476 4.793 4.320 -0.005 0.000 0.248 107 A C 0.587 178.184 177.584 0.020 0.000 1.082 107 A CA 0.126 52.186 52.037 0.038 0.000 0.785 107 A CB 0.109 19.145 19.000 0.061 0.000 1.020 107 A HN 0.344 nan 8.150 nan 0.000 0.489 108 T N 1.170 115.715 114.554 -0.014 0.000 2.926 108 T HA 0.374 4.721 4.350 -0.005 0.000 0.307 108 T C 0.058 174.755 174.700 -0.006 0.000 1.059 108 T CA 0.156 62.233 62.100 -0.038 0.000 1.122 108 T CB 0.364 69.166 68.868 -0.110 0.000 0.972 108 T HN 0.428 nan 8.240 nan 0.000 0.545 109 V N 4.574 124.492 119.914 0.008 0.000 2.417 109 V HA 0.380 4.497 4.120 -0.005 0.000 0.291 109 V C -0.527 175.590 176.094 0.038 0.000 1.024 109 V CA -0.895 61.432 62.300 0.046 0.000 0.861 109 V CB 1.506 33.371 31.823 0.071 0.000 0.985 109 V HN 0.539 nan 8.190 nan 0.000 0.436 110 L N 6.220 127.473 121.223 0.050 0.000 2.265 110 L HA 0.549 4.886 4.340 -0.005 0.000 0.289 110 L C -0.197 176.854 176.870 0.301 0.000 1.033 110 L CA 0.029 54.889 54.840 0.034 0.000 0.814 110 L CB 1.152 43.070 42.059 -0.234 0.000 1.203 110 L HN 0.465 nan 8.230 nan 0.000 0.423 111 I N 3.288 124.076 120.570 0.364 0.000 2.339 111 I HA 0.206 4.373 4.170 -0.005 0.000 0.290 111 I C -0.574 175.848 176.117 0.508 0.000 0.994 111 I CA -0.535 60.993 61.300 0.381 0.000 1.191 111 I CB 1.166 39.259 38.000 0.154 0.000 1.343 111 I HN 0.624 nan 8.210 nan 0.000 0.458 112 W N 8.635 130.072 121.300 0.229 0.000 2.351 112 W HA 0.542 5.198 4.660 -0.006 0.000 0.311 112 W C -1.470 174.954 176.519 -0.158 0.000 1.168 112 W CA -0.629 56.600 57.345 -0.193 0.000 1.200 112 W CB 1.121 30.439 29.460 -0.238 0.000 1.221 112 W HN 0.349 nan 8.180 nan 0.000 0.519 113 I N 9.123 129.083 120.570 -1.015 0.000 2.382 113 I HA 0.083 4.249 4.170 -0.005 0.000 0.285 113 I C -0.250 175.087 176.117 -1.300 0.000 1.007 113 I CA -1.152 59.604 61.300 -0.907 0.000 1.142 113 I CB 0.681 38.311 38.000 -0.617 0.000 1.289 113 I HN 0.293 nan 8.210 nan 0.000 0.453 114 Y N 4.526 124.409 120.300 -0.695 0.000 2.379 114 Y HA 0.687 5.234 4.550 -0.005 0.000 0.337 114 Y C 0.750 176.517 175.900 -0.222 0.000 1.238 114 Y CA -0.958 56.857 58.100 -0.474 0.000 1.405 114 Y CB -0.052 38.388 38.460 -0.033 0.000 1.310 114 Y HN 0.550 nan 8.280 nan 0.000 0.569 115 G N -0.508 108.342 108.800 0.083 0.000 2.510 115 G HA2 0.473 4.430 3.960 -0.005 0.000 0.280 115 G HA3 0.473 4.430 3.960 -0.005 0.000 0.280 115 G C 0.354 175.337 174.900 0.138 0.000 1.386 115 G CA -0.838 44.268 45.100 0.010 0.000 1.047 115 G HN 1.744 nan 8.290 nan 0.000 0.527 116 G N -3.086 105.688 108.800 -0.044 0.000 2.363 116 G HA2 0.415 4.372 3.960 -0.005 0.000 0.213 116 G HA3 0.415 4.372 3.960 -0.005 0.000 0.213 116 G C 1.018 175.861 174.900 -0.094 0.000 1.028 116 G CA 0.757 45.832 45.100 -0.042 0.000 0.822 116 G HN 2.340 nan 8.290 nan 0.000 0.536 117 G N -0.490 108.166 108.800 -0.239 0.000 2.155 117 G HA2 -0.138 3.819 3.960 -0.005 0.000 0.257 117 G HA3 -0.138 3.819 3.960 -0.005 0.000 0.257 117 G C 0.905 175.811 174.900 0.011 0.000 0.983 117 G CA 0.723 45.694 45.100 -0.216 0.000 0.676 117 G HN 1.716 nan 8.290 nan 0.000 0.528 118 F N -2.341 117.643 119.950 0.057 0.000 2.871 118 F HA -0.264 4.259 4.527 -0.006 0.000 0.326 118 F C 1.736 177.631 175.800 0.158 0.000 0.675 118 F CA 1.988 60.033 58.000 0.075 0.000 1.188 118 F CB -1.531 37.301 39.000 -0.279 0.000 1.567 118 F HN 0.433 nan 8.300 nan 0.000 0.325 119 Q N -0.697 119.240 119.800 0.228 0.000 2.316 119 Q HA 0.299 4.636 4.340 -0.005 0.000 0.235 119 Q C 1.119 177.198 176.000 0.132 0.000 0.863 119 Q CA 1.350 57.270 55.803 0.195 0.000 0.939 119 Q CB 0.974 29.792 28.738 0.133 0.000 1.108 119 Q HN 0.578 nan 8.270 nan 0.000 0.522 120 T N -3.120 111.491 114.554 0.097 0.000 2.816 120 T HA 0.790 5.137 4.350 -0.005 0.000 0.299 120 T C -0.075 174.623 174.700 -0.004 0.000 1.230 120 T CA -0.374 61.746 62.100 0.033 0.000 1.007 120 T CB 2.399 71.273 68.868 0.010 0.000 1.289 120 T HN 0.294 nan 8.240 nan 0.000 0.508 121 G N -0.605 108.100 108.800 -0.158 0.000 2.334 121 G HA2 0.445 4.401 3.960 -0.005 0.000 0.566 121 G HA3 0.445 4.401 3.960 -0.005 0.000 0.566 121 G C -0.738 173.621 174.900 -0.902 0.000 1.413 121 G CA -0.034 44.789 45.100 -0.461 0.000 0.993 121 G HN 1.560 nan 8.290 nan 0.000 0.642 122 T N -1.730 112.219 114.554 -1.008 0.000 2.885 122 T HA 0.639 4.986 4.350 -0.005 0.000 0.322 122 T C 1.368 175.893 174.700 -0.292 0.000 1.387 122 T CA 0.960 62.642 62.100 -0.695 0.000 1.041 122 T CB 1.229 69.931 68.868 -0.277 0.000 1.287 122 T HN 2.027 nan 8.240 nan 0.000 0.491 123 S N 1.208 116.991 115.700 0.138 0.000 2.607 123 S HA 0.032 4.499 4.470 -0.005 0.000 0.224 123 S C 1.496 176.235 174.600 0.233 0.000 0.969 123 S CA 0.781 59.252 58.200 0.452 0.000 0.927 123 S CB -0.362 63.166 63.200 0.547 0.000 0.772 123 S HN 0.797 nan 8.310 nan 0.000 0.533 124 S N 0.951 116.568 115.700 -0.138 0.000 2.577 124 S HA 0.389 4.855 4.470 -0.005 0.000 0.219 124 S C 0.510 174.765 174.600 -0.575 0.000 0.962 124 S CA -0.713 57.055 58.200 -0.719 0.000 0.921 124 S CB -0.546 61.952 63.200 -1.171 0.000 0.789 124 S HN 0.456 nan 8.310 nan 0.000 0.497 125 L N 2.066 123.063 121.223 -0.375 0.000 2.499 125 L HA 0.079 4.416 4.340 -0.005 0.000 0.281 125 L C 2.230 178.846 176.870 -0.424 0.000 1.234 125 L CA 0.014 54.560 54.840 -0.490 0.000 0.839 125 L CB 0.096 41.646 42.059 -0.848 0.000 1.104 125 L HN 0.419 nan 8.230 nan 0.000 0.500 126 H N 1.996 120.805 119.070 -0.436 0.000 2.428 126 H HA -0.078 4.475 4.556 -0.005 0.000 0.296 126 H C 1.602 176.710 175.328 -0.367 0.000 1.062 126 H CA 1.866 57.741 56.048 -0.288 0.000 1.350 126 H CB 0.512 30.144 29.762 -0.218 0.000 1.403 126 H HN 0.565 nan 8.280 nan 0.000 0.533 127 V N -1.035 118.454 119.914 -0.708 0.000 3.217 127 V HA -0.101 4.016 4.120 -0.005 0.000 0.264 127 V C 0.888 176.424 176.094 -0.931 0.000 1.135 127 V CA 0.722 62.575 62.300 -0.745 0.000 1.142 127 V CB -1.116 30.322 31.823 -0.643 0.000 0.754 127 V HN 0.224 nan 8.190 nan 0.000 0.484 128 Y N 0.133 119.796 120.300 -1.062 0.000 2.571 128 Y HA 0.450 4.997 4.550 -0.005 0.000 0.275 128 Y C 0.803 176.059 175.900 -1.074 0.000 1.179 128 Y CA -1.961 55.096 58.100 -1.738 0.000 1.242 128 Y CB -0.783 37.127 38.460 -0.916 0.000 1.126 128 Y HN 0.235 nan 8.280 nan 0.000 0.524 129 D N 1.012 121.063 120.400 -0.582 0.000 2.349 129 D HA 0.054 4.691 4.640 -0.005 0.000 0.266 129 D C 1.373 177.278 176.300 -0.658 0.000 1.293 129 D CA 0.345 54.095 54.000 -0.417 0.000 0.926 129 D CB 1.072 41.741 40.800 -0.218 0.000 1.090 129 D HN 0.479 nan 8.370 nan 0.000 0.502 130 G N 3.761 111.656 108.800 -1.508 0.000 2.956 130 G HA2 -0.182 3.775 3.960 -0.005 0.000 0.207 130 G HA3 -0.182 3.775 3.960 -0.005 0.000 0.207 130 G C 1.384 175.695 174.900 -0.982 0.000 1.162 130 G CA 0.265 44.727 45.100 -1.063 0.000 0.796 130 G HN 0.582 nan 8.290 nan 0.000 0.527 131 K N -0.455 119.257 120.400 -1.147 0.000 2.155 131 K HA 0.036 4.352 4.320 -0.005 0.000 0.203 131 K C 1.643 177.914 176.600 -0.549 0.000 1.052 131 K CA 0.601 56.441 56.287 -0.744 0.000 0.948 131 K CB -0.381 31.721 32.500 -0.663 0.000 0.728 131 K HN 0.210 nan 8.250 nan 0.000 0.448 132 F N 2.126 121.923 119.950 -0.254 0.000 2.134 132 F HA -0.035 4.489 4.527 -0.006 0.000 0.299 132 F C 2.220 177.986 175.800 -0.058 0.000 1.097 132 F CA 0.873 58.784 58.000 -0.149 0.000 1.264 132 F CB -0.677 38.280 39.000 -0.072 0.000 1.001 132 F HN -0.136 nan 8.300 nan 0.000 0.479 133 L N -0.278 120.988 121.223 0.073 0.000 2.046 133 L HA -0.225 4.112 4.340 -0.005 0.000 0.208 133 L C 2.736 179.621 176.870 0.024 0.000 1.077 133 L CA 1.247 56.099 54.840 0.020 0.000 0.747 133 L CB -0.994 41.032 42.059 -0.053 0.000 0.896 133 L HN 0.177 nan 8.230 nan 0.000 0.432 134 A N 0.066 122.888 122.820 0.004 0.000 1.877 134 A HA -0.265 4.052 4.320 -0.005 0.000 0.216 134 A C 2.323 179.940 177.584 0.055 0.000 1.186 134 A CA 1.972 54.040 52.037 0.052 0.000 0.620 134 A CB -0.509 18.548 19.000 0.096 0.000 0.822 134 A HN 0.308 nan 8.150 nan 0.000 0.443 135 R N -0.156 120.361 120.500 0.027 0.000 2.070 135 R HA -0.086 4.251 4.340 -0.005 0.000 0.233 135 R C 1.809 178.185 176.300 0.126 0.000 1.137 135 R CA 2.411 58.548 56.100 0.062 0.000 0.945 135 R CB -1.084 29.218 30.300 0.004 0.000 0.845 135 R HN 0.251 nan 8.270 nan 0.000 0.430 136 V N 0.573 120.584 119.914 0.162 0.000 2.488 136 V HA -0.031 4.086 4.120 -0.005 0.000 0.246 136 V C 1.494 177.646 176.094 0.097 0.000 1.046 136 V CA 1.796 64.195 62.300 0.164 0.000 1.053 136 V CB -0.304 31.637 31.823 0.196 0.000 0.679 136 V HN 0.326 nan 8.190 nan 0.000 0.458 137 E N -0.750 119.493 120.200 0.073 0.000 2.526 137 E HA 0.184 4.531 4.350 -0.005 0.000 0.208 137 E C 0.170 176.798 176.600 0.046 0.000 0.997 137 E CA -0.209 56.220 56.400 0.050 0.000 0.961 137 E CB 0.510 30.226 29.700 0.025 0.000 1.030 137 E HN 0.366 nan 8.360 nan 0.000 0.483 138 R N 0.029 120.564 120.500 0.058 0.000 3.651 138 R HA -0.127 4.210 4.340 -0.005 0.000 0.292 138 R C 0.425 176.756 176.300 0.052 0.000 1.161 138 R CA 0.773 56.911 56.100 0.063 0.000 0.787 138 R CB -3.112 27.226 30.300 0.063 0.000 1.249 138 R HN 0.140 nan 8.270 nan 0.000 0.476 139 V N -2.285 117.654 119.914 0.042 0.000 2.973 139 V HA 0.650 4.767 4.120 -0.005 0.000 0.314 139 V C 1.254 177.399 176.094 0.084 0.000 1.066 139 V CA -1.106 61.216 62.300 0.036 0.000 1.021 139 V CB 2.308 34.126 31.823 -0.008 0.000 1.076 139 V HN 0.133 nan 8.190 nan 0.000 0.462 140 I N 1.703 122.333 120.570 0.101 0.000 2.353 140 I HA 0.438 4.605 4.170 -0.005 0.000 0.293 140 I C -0.539 175.690 176.117 0.187 0.000 0.992 140 I CA -0.555 60.842 61.300 0.162 0.000 1.268 140 I CB 1.776 39.865 38.000 0.147 0.000 1.387 140 I HN 0.422 nan 8.210 nan 0.000 0.478 141 V N 7.215 127.307 119.914 0.295 0.000 2.513 141 V HA 0.470 4.586 4.120 -0.005 0.000 0.299 141 V C -0.099 176.299 176.094 0.505 0.000 1.035 141 V CA -0.618 61.913 62.300 0.385 0.000 0.889 141 V CB 2.076 34.127 31.823 0.380 0.000 0.988 141 V HN 0.395 nan 8.190 nan 0.000 0.440 142 V N 3.593 123.768 119.914 0.435 0.000 2.735 142 V HA 0.805 4.922 4.120 -0.005 0.000 0.310 142 V C -0.168 176.178 176.094 0.419 0.000 1.061 142 V CA -0.354 62.148 62.300 0.337 0.000 0.913 142 V CB 2.316 34.249 31.823 0.183 0.000 1.005 142 V HN 1.034 nan 8.190 nan 0.000 0.428 143 S N 4.994 120.927 115.700 0.388 0.000 2.569 143 S HA 0.906 5.372 4.470 -0.005 0.000 0.280 143 S C -0.920 173.821 174.600 0.235 0.000 1.111 143 S CA -0.795 57.644 58.200 0.399 0.000 0.887 143 S CB 2.379 65.953 63.200 0.623 0.000 1.095 143 S HN 0.948 nan 8.310 nan 0.000 0.476 144 M N 1.507 121.227 119.600 0.201 0.000 2.518 144 M HA 0.621 5.098 4.480 -0.005 0.000 0.300 144 M C -2.025 174.480 176.300 0.342 0.000 1.175 144 M CA -0.528 54.867 55.300 0.159 0.000 0.890 144 M CB 1.494 34.031 32.600 -0.105 0.000 1.710 144 M HN 0.588 nan 8.290 nan 0.000 0.453 145 N N 3.351 122.296 118.700 0.409 0.000 2.499 145 N HA 0.564 5.301 4.740 -0.005 0.000 0.281 145 N C -1.319 174.431 175.510 0.399 0.000 1.098 145 N CA 0.112 53.413 53.050 0.417 0.000 0.979 145 N CB 0.545 39.222 38.487 0.317 0.000 1.121 145 N HN 0.734 nan 8.380 nan 0.000 0.466 146 Y N -1.628 118.839 120.300 0.278 0.000 2.576 146 Y HA 0.596 5.143 4.550 -0.005 0.000 0.346 146 Y C -0.011 176.004 175.900 0.192 0.000 1.018 146 Y CA -1.385 56.827 58.100 0.185 0.000 1.050 146 Y CB 1.010 39.522 38.460 0.088 0.000 1.280 146 Y HN 0.180 nan 8.280 nan 0.000 0.474 147 R N 1.550 122.166 120.500 0.193 0.000 2.594 147 R HA 0.561 4.898 4.340 -0.005 0.000 0.272 147 R C -0.541 175.880 176.300 0.202 0.000 1.074 147 R CA -0.366 55.790 56.100 0.093 0.000 1.105 147 R CB 1.089 31.398 30.300 0.015 0.000 1.008 147 R HN 0.717 nan 8.270 nan 0.000 0.472 148 V N -0.926 119.112 119.914 0.208 0.000 3.158 148 V HA 0.888 5.004 4.120 -0.005 0.000 0.311 148 V C 0.560 176.852 176.094 0.330 0.000 1.181 148 V CA -0.260 62.286 62.300 0.411 0.000 1.054 148 V CB 1.206 33.188 31.823 0.265 0.000 1.085 148 V HN 0.988 nan 8.190 nan 0.000 0.446 149 G N 0.479 109.521 108.800 0.404 0.000 2.601 149 G HA2 0.090 4.047 3.960 -0.005 0.000 0.261 149 G HA3 0.090 4.047 3.960 -0.005 0.000 0.261 149 G C 0.965 175.951 174.900 0.142 0.000 1.289 149 G CA 0.798 46.057 45.100 0.264 0.000 0.920 149 G HN 2.250 nan 8.290 nan 0.000 0.571 150 A N -1.027 121.602 122.820 -0.318 0.000 1.972 150 A HA 0.151 4.467 4.320 -0.005 0.000 0.219 150 A C 2.654 180.222 177.584 -0.025 0.000 1.169 150 A CA 2.243 53.893 52.037 -0.645 0.000 0.635 150 A CB -0.350 18.071 19.000 -0.964 0.000 0.810 150 A HN 1.052 nan 8.150 nan 0.000 0.446 151 L N -1.240 120.018 121.223 0.058 0.000 2.362 151 L HA -0.070 4.267 4.340 -0.005 0.000 0.219 151 L C 2.390 179.297 176.870 0.063 0.000 1.134 151 L CA 0.888 55.781 54.840 0.088 0.000 0.807 151 L CB -0.225 41.806 42.059 -0.047 0.000 0.927 151 L HN 0.518 nan 8.230 nan 0.000 0.447 152 G N -2.083 106.742 108.800 0.041 0.000 2.784 152 G HA2 0.025 3.981 3.960 -0.005 0.000 0.208 152 G HA3 0.025 3.981 3.960 -0.005 0.000 0.208 152 G C 0.790 175.352 174.900 -0.563 0.000 1.120 152 G CA -0.038 44.929 45.100 -0.221 0.000 0.774 152 G HN 0.261 nan 8.290 nan 0.000 0.528 153 F N -0.268 119.761 119.950 0.131 0.000 2.838 153 F HA 0.442 4.966 4.527 -0.005 0.000 0.329 153 F C 0.446 176.335 175.800 0.148 0.000 1.116 153 F CA -0.959 57.113 58.000 0.120 0.000 1.155 153 F CB 0.462 39.533 39.000 0.118 0.000 1.106 153 F HN -0.080 nan 8.300 nan 0.000 0.538 154 L N 2.119 123.454 121.223 0.186 0.000 2.559 154 L HA 0.387 4.724 4.340 -0.005 0.000 0.282 154 L C 0.088 176.996 176.870 0.064 0.000 1.232 154 L CA 0.340 55.230 54.840 0.084 0.000 0.885 154 L CB 0.359 42.239 42.059 -0.298 0.000 1.131 154 L HN 0.147 nan 8.230 nan 0.000 0.498 155 A N 5.751 128.621 122.820 0.082 0.000 2.381 155 A HA 0.687 5.004 4.320 -0.005 0.000 0.299 155 A C -1.581 176.009 177.584 0.009 0.000 1.049 155 A CA -0.521 51.544 52.037 0.046 0.000 0.715 155 A CB 1.266 20.312 19.000 0.077 0.000 1.222 155 A HN 0.548 nan 8.150 nan 0.000 0.428 156 L N 3.831 125.049 121.223 -0.008 0.000 2.401 156 L HA 0.469 4.805 4.340 -0.005 0.000 0.263 156 L C -2.546 174.329 176.870 0.009 0.000 1.004 156 L CA -2.081 52.754 54.840 -0.008 0.000 0.881 156 L CB 1.265 43.306 42.059 -0.030 0.000 1.219 156 L HN 0.363 nan 8.230 nan 0.000 0.441 157 P HA 0.135 nan 4.420 nan 0.000 0.255 157 P C 0.888 178.203 177.300 0.026 0.000 1.161 157 P CA 1.257 64.374 63.100 0.028 0.000 0.768 157 P CB 0.409 32.126 31.700 0.029 0.000 0.746 158 G N 2.485 111.304 108.800 0.032 0.000 2.179 158 G HA2 -0.272 3.685 3.960 -0.005 0.000 0.260 158 G HA3 -0.272 3.685 3.960 -0.005 0.000 0.260 158 G C 0.411 175.323 174.900 0.019 0.000 0.977 158 G CA -0.221 44.896 45.100 0.028 0.000 0.641 158 G HN 0.648 nan 8.290 nan 0.000 0.533 159 N N 1.247 119.957 118.700 0.015 0.000 2.437 159 N HA 0.380 5.116 4.740 -0.005 0.000 0.243 159 N C -0.611 174.904 175.510 0.009 0.000 1.041 159 N CA -1.923 51.132 53.050 0.009 0.000 0.940 159 N CB 1.652 40.140 38.487 0.003 0.000 1.133 159 N HN 0.104 nan 8.380 nan 0.000 0.506 160 P HA -0.100 nan 4.420 nan 0.000 0.226 160 P C 0.426 177.731 177.300 0.009 0.000 1.146 160 P CA 0.979 64.079 63.100 0.000 0.000 0.773 160 P CB 0.595 32.291 31.700 -0.007 0.000 0.772 161 E N -0.012 120.198 120.200 0.017 0.000 2.216 161 E HA 0.062 4.409 4.350 -0.005 0.000 0.192 161 E C 1.023 177.653 176.600 0.051 0.000 0.988 161 E CA 0.648 57.072 56.400 0.038 0.000 0.834 161 E CB 0.003 29.725 29.700 0.037 0.000 0.772 161 E HN 0.218 nan 8.360 nan 0.000 0.479 162 A N 1.290 124.116 122.820 0.009 0.000 3.300 162 A HA 0.365 4.682 4.320 -0.005 0.000 0.300 162 A C -2.244 175.339 177.584 -0.001 0.000 1.099 162 A CA -0.943 51.080 52.037 -0.023 0.000 0.846 162 A CB 0.747 19.654 19.000 -0.155 0.000 1.255 162 A HN -0.132 nan 8.150 nan 0.000 0.519 163 P HA 0.219 nan 4.420 nan 0.000 0.221 163 P C 0.947 178.293 177.300 0.078 0.000 1.155 163 P CA 1.778 64.908 63.100 0.050 0.000 0.812 163 P CB 0.328 32.059 31.700 0.051 0.000 0.801 164 G N -0.614 108.236 108.800 0.084 0.000 2.555 164 G HA2 -0.085 3.872 3.960 -0.005 0.000 0.686 164 G HA3 -0.085 3.872 3.960 -0.005 0.000 0.686 164 G C -0.457 174.511 174.900 0.114 0.000 1.275 164 G CA -0.306 44.859 45.100 0.110 0.000 0.871 164 G HN 0.050 nan 8.290 nan 0.000 0.603 165 N N -1.646 117.117 118.700 0.106 0.000 2.753 165 N HA -0.218 4.518 4.740 -0.005 0.000 0.251 165 N C 1.547 176.961 175.510 -0.159 0.000 1.097 165 N CA 2.034 55.065 53.050 -0.031 0.000 0.786 165 N CB -1.089 37.361 38.487 -0.062 0.000 1.137 165 N HN 0.701 nan 8.380 nan 0.000 0.566 166 M N -0.781 118.695 119.600 -0.206 0.000 2.159 166 M HA 0.041 4.517 4.480 -0.005 0.000 0.263 166 M C 2.376 178.550 176.300 -0.210 0.000 1.063 166 M CA 2.042 57.291 55.300 -0.085 0.000 1.110 166 M CB -0.465 32.088 32.600 -0.079 0.000 1.374 166 M HN 0.310 nan 8.290 nan 0.000 0.411 167 G N -0.189 108.211 108.800 -0.666 0.000 2.422 167 G HA2 -0.130 3.827 3.960 -0.005 0.000 0.218 167 G HA3 -0.130 3.827 3.960 -0.005 0.000 0.218 167 G C 1.597 176.369 174.900 -0.214 0.000 1.146 167 G CA 0.596 45.461 45.100 -0.393 0.000 0.769 167 G HN 0.403 nan 8.290 nan 0.000 0.547 168 L N -0.969 120.030 121.223 -0.373 0.000 2.141 168 L HA 0.099 4.436 4.340 -0.005 0.000 0.209 168 L C 2.569 179.158 176.870 -0.468 0.000 1.094 168 L CA 0.616 55.099 54.840 -0.595 0.000 0.763 168 L CB -0.265 41.046 42.059 -1.246 0.000 0.908 168 L HN 0.183 nan 8.230 nan 0.000 0.437 169 F N 0.027 119.836 119.950 -0.234 0.000 2.367 169 F HA -0.167 4.357 4.527 -0.005 0.000 0.298 169 F C 2.213 178.057 175.800 0.073 0.000 1.094 169 F CA 0.586 58.584 58.000 -0.004 0.000 1.409 169 F CB -0.095 38.910 39.000 0.007 0.000 1.064 169 F HN 0.125 nan 8.300 nan 0.000 0.528 170 D N 0.276 120.809 120.400 0.223 0.000 2.092 170 D HA -0.213 4.424 4.640 -0.005 0.000 0.193 170 D C 2.105 178.556 176.300 0.252 0.000 0.994 170 D CA 1.396 55.573 54.000 0.295 0.000 0.828 170 D CB -0.684 40.294 40.800 0.296 0.000 0.963 170 D HN 0.349 nan 8.370 nan 0.000 0.450 171 Q N 0.268 120.124 119.800 0.093 0.000 2.112 171 Q HA -0.212 4.125 4.340 -0.005 0.000 0.206 171 Q C 2.245 178.265 176.000 0.034 0.000 0.987 171 Q CA 1.315 57.107 55.803 -0.018 0.000 0.858 171 Q CB -0.185 28.509 28.738 -0.073 0.000 0.905 171 Q HN 0.380 nan 8.270 nan 0.000 0.420 172 Q N 0.197 120.120 119.800 0.206 0.000 2.167 172 Q HA -0.165 4.172 4.340 -0.005 0.000 0.202 172 Q C 1.935 178.055 176.000 0.199 0.000 0.970 172 Q CA 0.770 56.729 55.803 0.260 0.000 0.855 172 Q CB 0.071 29.060 28.738 0.418 0.000 0.911 172 Q HN 0.288 nan 8.270 nan 0.000 0.438 173 L N 0.049 121.410 121.223 0.230 0.000 2.179 173 L HA 0.068 4.405 4.340 -0.005 0.000 0.208 173 L C 2.034 179.003 176.870 0.165 0.000 1.096 173 L CA 1.766 56.756 54.840 0.250 0.000 0.779 173 L CB -0.685 41.576 42.059 0.336 0.000 0.922 173 L HN 0.178 nan 8.230 nan 0.000 0.443 174 A N -0.265 122.496 122.820 -0.098 0.000 1.902 174 A HA -0.153 4.164 4.320 -0.005 0.000 0.217 174 A C 2.199 179.750 177.584 -0.055 0.000 1.181 174 A CA 1.874 53.672 52.037 -0.399 0.000 0.623 174 A CB -0.833 17.708 19.000 -0.765 0.000 0.818 174 A HN 0.476 nan 8.150 nan 0.000 0.443 175 L N -0.974 120.228 121.223 -0.035 0.000 2.079 175 L HA -0.247 4.089 4.340 -0.005 0.000 0.210 175 L C 2.828 179.757 176.870 0.098 0.000 1.081 175 L CA 1.773 56.624 54.840 0.019 0.000 0.752 175 L CB -0.654 41.385 42.059 -0.033 0.000 0.896 175 L HN 0.461 nan 8.230 nan 0.000 0.433 176 Q N -0.106 119.770 119.800 0.127 0.000 2.084 176 Q HA -0.251 4.086 4.340 -0.005 0.000 0.202 176 Q C 1.986 178.065 176.000 0.133 0.000 0.978 176 Q CA 1.862 57.744 55.803 0.131 0.000 0.844 176 Q CB -0.529 28.299 28.738 0.151 0.000 0.898 176 Q HN 0.499 nan 8.270 nan 0.000 0.426 177 W N -0.599 120.706 121.300 0.008 0.000 2.338 177 W HA -0.200 4.457 4.660 -0.006 0.000 0.304 177 W C 1.775 178.288 176.519 -0.010 0.000 1.212 177 W CA 1.926 59.276 57.345 0.008 0.000 1.264 177 W CB -0.237 29.220 29.460 -0.005 0.000 1.142 177 W HN 0.016 nan 8.180 nan 0.000 0.512 178 V N 0.873 120.953 119.914 0.277 0.000 2.358 178 V HA -0.330 3.786 4.120 -0.005 0.000 0.246 178 V C 2.555 178.628 176.094 -0.035 0.000 1.047 178 V CA 1.997 64.367 62.300 0.117 0.000 1.035 178 V CB -1.070 30.856 31.823 0.171 0.000 0.658 178 V HN 0.191 nan 8.190 nan 0.000 0.452 179 Q N 0.506 120.308 119.800 0.003 0.000 2.045 179 Q HA -0.238 4.099 4.340 -0.005 0.000 0.206 179 Q C 2.278 178.228 176.000 -0.083 0.000 0.991 179 Q CA 1.838 57.632 55.803 -0.015 0.000 0.851 179 Q CB -0.412 28.339 28.738 0.021 0.000 0.911 179 Q HN 0.638 nan 8.270 nan 0.000 0.418 180 K N -0.077 120.238 120.400 -0.142 0.000 2.217 180 K HA -0.009 4.308 4.320 -0.005 0.000 0.202 180 K C 1.452 177.869 176.600 -0.305 0.000 1.051 180 K CA 0.895 57.061 56.287 -0.202 0.000 0.952 180 K CB 0.149 32.528 32.500 -0.202 0.000 0.736 180 K HN 0.199 nan 8.250 nan 0.000 0.453 181 N N 0.090 118.495 118.700 -0.493 0.000 2.257 181 N HA 0.030 4.766 4.740 -0.005 0.000 0.200 181 N C 1.427 176.797 175.510 -0.233 0.000 1.163 181 N CA 0.170 52.888 53.050 -0.552 0.000 0.891 181 N CB 0.439 38.133 38.487 -1.321 0.000 1.067 181 N HN 0.001 nan 8.380 nan 0.000 0.497 182 I N 2.242 122.709 120.570 -0.172 0.000 2.614 182 I HA -0.064 4.103 4.170 -0.005 0.000 0.258 182 I C 2.185 178.370 176.117 0.113 0.000 1.189 182 I CA 0.454 61.770 61.300 0.027 0.000 1.462 182 I CB -0.118 37.890 38.000 0.015 0.000 1.092 182 I HN 0.033 nan 8.210 nan 0.000 0.442 183 A N 0.407 123.245 122.820 0.030 0.000 1.940 183 A HA -0.208 4.109 4.320 -0.005 0.000 0.219 183 A C 2.483 180.084 177.584 0.029 0.000 1.176 183 A CA 1.801 53.854 52.037 0.025 0.000 0.631 183 A CB -1.141 17.850 19.000 -0.014 0.000 0.814 183 A HN 0.471 nan 8.150 nan 0.000 0.446 184 A N -1.771 121.051 122.820 0.004 0.000 2.070 184 A HA 0.082 4.399 4.320 -0.005 0.000 0.220 184 A C 1.542 179.005 177.584 -0.202 0.000 1.159 184 A CA 1.226 53.191 52.037 -0.120 0.000 0.656 184 A CB -0.591 18.276 19.000 -0.222 0.000 0.800 184 A HN 0.490 nan 8.150 nan 0.000 0.453 185 F N -1.207 118.706 119.950 -0.063 0.000 2.695 185 F HA 0.388 4.911 4.527 -0.005 0.000 0.303 185 F C 1.688 177.503 175.800 0.027 0.000 1.091 185 F CA 0.433 58.417 58.000 -0.026 0.000 1.300 185 F CB 0.312 39.288 39.000 -0.040 0.000 1.071 185 F HN 0.315 nan 8.300 nan 0.000 0.578 186 G N 0.321 109.217 108.800 0.160 0.000 2.131 186 G HA2 -0.105 3.852 3.960 -0.005 0.000 0.223 186 G HA3 -0.105 3.852 3.960 -0.005 0.000 0.223 186 G C 0.447 175.412 174.900 0.109 0.000 0.990 186 G CA -0.289 44.879 45.100 0.114 0.000 0.671 186 G HN 0.722 nan 8.290 nan 0.000 0.521 187 G N -0.700 108.170 108.800 0.116 0.000 2.461 187 G HA2 0.532 4.489 3.960 -0.005 0.000 0.329 187 G HA3 0.532 4.489 3.960 -0.005 0.000 0.329 187 G C -0.492 174.440 174.900 0.055 0.000 1.170 187 G CA -0.427 44.725 45.100 0.088 0.000 0.935 187 G HN 0.410 nan 8.290 nan 0.000 0.492 188 N N 1.033 119.756 118.700 0.039 0.000 2.546 188 N HA 0.323 5.060 4.740 -0.005 0.000 0.238 188 N C -1.348 174.175 175.510 0.021 0.000 0.984 188 N CA -2.499 50.565 53.050 0.023 0.000 0.935 188 N CB 2.120 40.616 38.487 0.015 0.000 1.122 188 N HN 0.060 nan 8.380 nan 0.000 0.510 189 P HA -0.120 nan 4.420 nan 0.000 0.223 189 P C 0.302 177.613 177.300 0.019 0.000 1.144 189 P CA 1.161 64.272 63.100 0.019 0.000 0.783 189 P CB 0.410 32.113 31.700 0.005 0.000 0.771 190 K N -0.782 119.624 120.400 0.010 0.000 2.444 190 K HA 0.124 4.441 4.320 -0.005 0.000 0.193 190 K C 0.724 177.320 176.600 -0.007 0.000 1.024 190 K CA 0.221 56.510 56.287 0.002 0.000 1.077 190 K CB 0.196 32.696 32.500 0.000 0.000 0.833 190 K HN -0.059 nan 8.250 nan 0.000 0.517 191 S N 1.242 116.939 115.700 -0.005 0.000 2.259 191 S HA 0.262 4.729 4.470 -0.005 0.000 0.181 191 S C -1.125 173.470 174.600 -0.009 0.000 1.589 191 S CA -0.606 57.578 58.200 -0.027 0.000 1.234 191 S CB 0.441 63.614 63.200 -0.046 0.000 1.119 191 S HN -0.130 nan 8.310 nan 0.000 0.458 192 V N 3.778 123.706 119.914 0.023 0.000 2.409 192 V HA 0.529 4.646 4.120 -0.005 0.000 0.291 192 V C 0.051 176.205 176.094 0.101 0.000 1.020 192 V CA -0.487 61.854 62.300 0.069 0.000 0.848 192 V CB 1.888 33.779 31.823 0.113 0.000 0.990 192 V HN 0.682 nan 8.190 nan 0.000 0.430 193 T N 6.552 121.149 114.554 0.072 0.000 2.770 193 T HA 0.567 4.914 4.350 -0.005 0.000 0.283 193 T C -0.164 174.622 174.700 0.143 0.000 0.988 193 T CA -0.324 61.840 62.100 0.108 0.000 0.957 193 T CB 0.771 69.653 68.868 0.023 0.000 0.930 193 T HN 0.346 nan 8.240 nan 0.000 0.443 194 L N 5.015 126.317 121.223 0.133 0.000 2.349 194 L HA 0.586 4.923 4.340 -0.005 0.000 0.275 194 L C -0.306 176.711 176.870 0.245 0.000 1.115 194 L CA -0.693 54.189 54.840 0.070 0.000 0.820 194 L CB 0.195 42.102 42.059 -0.254 0.000 1.135 194 L HN 0.596 nan 8.230 nan 0.000 0.445 195 F N 0.466 120.427 119.950 0.017 0.000 2.588 195 F HA 0.960 5.484 4.527 -0.005 0.000 0.310 195 F C -0.245 175.450 175.800 -0.175 0.000 1.082 195 F CA -1.938 56.102 58.000 0.067 0.000 0.929 195 F CB 1.517 40.692 39.000 0.291 0.000 1.254 195 F HN 0.441 nan 8.300 nan 0.000 0.455 196 G N 1.150 109.713 108.800 -0.395 0.000 2.673 196 G HA2 0.484 4.440 3.960 -0.005 0.000 0.292 196 G HA3 0.484 4.440 3.960 -0.005 0.000 0.292 196 G C -2.509 172.065 174.900 -0.544 0.000 1.450 196 G CA -0.789 43.710 45.100 -1.003 0.000 0.837 196 G HN 0.878 nan 8.290 nan 0.000 0.505 197 E N 0.561 120.438 120.200 -0.539 0.000 2.256 197 E HA 0.641 4.987 4.350 -0.005 0.000 0.267 197 E C 0.723 177.249 176.600 -0.123 0.000 0.892 197 E CA 0.232 56.557 56.400 -0.126 0.000 0.775 197 E CB 2.194 31.960 29.700 0.109 0.000 1.207 197 E HN 0.798 nan 8.360 nan 0.000 0.420 198 S N 2.477 118.173 115.700 -0.008 0.000 4.054 198 S HA -0.396 4.071 4.470 -0.005 0.000 0.618 198 S C 1.455 176.112 174.600 0.095 0.000 2.026 198 S CA 2.086 60.359 58.200 0.123 0.000 4.205 198 S CB -1.538 61.696 63.200 0.056 0.000 0.233 198 S HN 0.962 nan 8.310 nan 0.000 0.612 199 A N 0.815 123.542 122.820 -0.156 0.000 2.076 199 A HA 0.117 4.434 4.320 -0.005 0.000 0.220 199 A C 2.379 179.715 177.584 -0.414 0.000 1.160 199 A CA 2.377 54.173 52.037 -0.402 0.000 0.653 199 A CB -1.477 16.866 19.000 -1.095 0.000 0.801 199 A HN 1.549 nan 8.150 nan 0.000 0.455 200 G N -1.020 107.586 108.800 -0.323 0.000 2.448 200 G HA2 0.131 4.088 3.960 -0.005 0.000 0.218 200 G HA3 0.131 4.088 3.960 -0.005 0.000 0.218 200 G C 1.586 176.292 174.900 -0.323 0.000 1.135 200 G CA 1.113 45.968 45.100 -0.407 0.000 0.784 200 G HN 0.716 nan 8.290 nan 0.000 0.543 201 A N 1.237 123.930 122.820 -0.210 0.000 1.874 201 A HA 0.426 4.743 4.320 -0.005 0.000 0.214 201 A C 2.807 180.316 177.584 -0.125 0.000 1.189 201 A CA 1.822 53.765 52.037 -0.157 0.000 0.615 201 A CB -0.813 18.133 19.000 -0.090 0.000 0.830 201 A HN 0.659 nan 8.150 nan 0.000 0.443 202 A N -0.042 122.760 122.820 -0.030 0.000 1.892 202 A HA -0.166 4.151 4.320 -0.005 0.000 0.218 202 A C 2.447 180.075 177.584 0.073 0.000 1.188 202 A CA 2.391 54.436 52.037 0.013 0.000 0.631 202 A CB -1.066 18.033 19.000 0.165 0.000 0.822 202 A HN 0.466 nan 8.150 nan 0.000 0.447 203 S N -0.548 115.199 115.700 0.078 0.000 2.359 203 S HA -0.162 4.305 4.470 -0.005 0.000 0.224 203 S C 1.893 176.527 174.600 0.058 0.000 1.035 203 S CA 1.463 59.690 58.200 0.046 0.000 1.018 203 S CB -0.665 62.497 63.200 -0.063 0.000 0.876 203 S HN 0.355 nan 8.310 nan 0.000 0.448 204 V N 2.472 122.371 119.914 -0.024 0.000 2.324 204 V HA -0.217 3.900 4.120 -0.005 0.000 0.250 204 V C 2.739 178.835 176.094 0.003 0.000 1.060 204 V CA 2.089 64.363 62.300 -0.044 0.000 1.042 204 V CB -1.105 30.637 31.823 -0.134 0.000 0.650 204 V HN 0.740 nan 8.190 nan 0.000 0.450 205 S N -0.463 115.207 115.700 -0.050 0.000 2.423 205 S HA -0.080 4.387 4.470 -0.005 0.000 0.231 205 S C 1.829 176.547 174.600 0.197 0.000 1.014 205 S CA 1.389 59.581 58.200 -0.013 0.000 0.965 205 S CB -0.472 62.544 63.200 -0.307 0.000 0.785 205 S HN 0.549 nan 8.310 nan 0.000 0.495 206 L N 0.221 121.523 121.223 0.133 0.000 2.375 206 L HA 0.133 4.470 4.340 -0.005 0.000 0.215 206 L C 2.697 179.594 176.870 0.045 0.000 1.108 206 L CA 0.678 55.568 54.840 0.084 0.000 0.830 206 L CB -0.523 41.606 42.059 0.116 0.000 0.959 206 L HN 0.367 nan 8.230 nan 0.000 0.457 207 H N 0.094 119.236 119.070 0.119 0.000 2.457 207 H HA -0.044 4.508 4.556 -0.006 0.000 0.294 207 H C 2.329 177.785 175.328 0.213 0.000 1.064 207 H CA 1.130 57.215 56.048 0.062 0.000 1.330 207 H CB 0.183 29.849 29.762 -0.160 0.000 1.395 207 H HN 0.325 nan 8.280 nan 0.000 0.541 208 L N 0.512 121.967 121.223 0.386 0.000 2.083 208 L HA -0.166 4.171 4.340 -0.005 0.000 0.209 208 L C 2.180 179.251 176.870 0.334 0.000 1.083 208 L CA 0.873 55.994 54.840 0.468 0.000 0.752 208 L CB -0.202 42.135 42.059 0.463 0.000 0.899 208 L HN 0.213 nan 8.230 nan 0.000 0.433 209 L N -1.831 119.507 121.223 0.191 0.000 2.558 209 L HA 0.065 4.402 4.340 -0.005 0.000 0.225 209 L C 1.171 178.001 176.870 -0.066 0.000 1.128 209 L CA -0.058 54.831 54.840 0.082 0.000 0.868 209 L CB -0.113 41.922 42.059 -0.039 0.000 1.006 209 L HN 0.049 nan 8.230 nan 0.000 0.454 210 S N 0.994 116.589 115.700 -0.174 0.000 2.452 210 S HA 0.246 4.713 4.470 -0.005 0.000 0.284 210 S C -1.181 173.324 174.600 -0.157 0.000 1.171 210 S CA -1.539 56.412 58.200 -0.416 0.000 1.064 210 S CB 1.049 63.528 63.200 -1.201 0.000 0.967 210 S HN -0.034 nan 8.310 nan 0.000 0.484 211 P HA -0.055 nan 4.420 nan 0.000 0.218 211 P C 1.441 178.754 177.300 0.021 0.000 1.148 211 P CA 1.211 64.301 63.100 -0.016 0.000 0.822 211 P CB -0.219 31.456 31.700 -0.042 0.000 0.784 212 G N -0.267 108.520 108.800 -0.021 0.000 2.448 212 G HA2 -0.144 3.813 3.960 -0.005 0.000 0.218 212 G HA3 -0.144 3.813 3.960 -0.005 0.000 0.218 212 G C 1.488 176.469 174.900 0.136 0.000 1.135 212 G CA 0.477 45.619 45.100 0.070 0.000 0.784 212 G HN 0.263 nan 8.290 nan 0.000 0.543 213 S N -0.739 115.047 115.700 0.144 0.000 2.558 213 S HA 0.060 4.526 4.470 -0.005 0.000 0.217 213 S C 1.631 176.456 174.600 0.375 0.000 0.975 213 S CA 0.173 58.562 58.200 0.314 0.000 0.912 213 S CB -0.146 63.328 63.200 0.456 0.000 0.776 213 S HN 0.717 nan 8.310 nan 0.000 0.526 214 H N 2.310 121.459 119.070 0.133 0.000 2.387 214 H HA -0.080 4.473 4.556 -0.006 0.000 0.299 214 H C 1.909 177.198 175.328 -0.066 0.000 1.099 214 H CA 1.692 57.750 56.048 0.017 0.000 1.315 214 H CB 0.098 29.851 29.762 -0.015 0.000 1.380 214 H HN 0.458 nan 8.280 nan 0.000 0.513 215 S N -0.295 115.538 115.700 0.222 0.000 2.572 215 S HA 0.122 4.589 4.470 -0.005 0.000 0.228 215 S C 1.169 175.834 174.600 0.109 0.000 0.963 215 S CA -0.384 57.900 58.200 0.139 0.000 0.939 215 S CB 0.021 63.284 63.200 0.105 0.000 0.804 215 S HN 0.423 nan 8.310 nan 0.000 0.480 216 L N 1.245 122.580 121.223 0.186 0.000 2.628 216 L HA 0.488 4.825 4.340 -0.005 0.000 0.229 216 L C -0.074 176.987 176.870 0.319 0.000 1.137 216 L CA -0.303 54.669 54.840 0.220 0.000 0.909 216 L CB -0.353 41.843 42.059 0.230 0.000 1.137 216 L HN 0.569 nan 8.230 nan 0.000 0.470 217 F N -4.814 115.144 119.950 0.013 0.000 2.770 217 F HA 0.422 4.946 4.527 -0.005 0.000 0.313 217 F C 0.230 176.024 175.800 -0.010 0.000 1.154 217 F CA -0.904 57.094 58.000 -0.003 0.000 0.923 217 F CB 0.658 39.649 39.000 -0.015 0.000 1.301 217 F HN -0.328 nan 8.300 nan 0.000 0.449 218 T N -0.273 114.280 114.554 -0.002 0.000 3.044 218 T HA 0.394 4.741 4.350 -0.005 0.000 0.237 218 T C 0.512 175.158 174.700 -0.089 0.000 1.001 218 T CA 0.436 62.465 62.100 -0.118 0.000 1.160 218 T CB 0.068 68.903 68.868 -0.056 0.000 0.889 218 T HN 0.514 nan 8.240 nan 0.000 0.442 219 R N -0.241 120.322 120.500 0.104 0.000 2.869 219 R HA 0.800 5.137 4.340 -0.005 0.000 0.263 219 R C -1.760 174.760 176.300 0.367 0.000 1.066 219 R CA -0.829 55.358 56.100 0.145 0.000 0.960 219 R CB 2.059 32.265 30.300 -0.158 0.000 1.221 219 R HN 0.290 nan 8.270 nan 0.000 0.474 220 A N 1.375 124.430 122.820 0.392 0.000 2.488 220 A HA 0.619 4.936 4.320 -0.005 0.000 0.298 220 A C -1.145 176.546 177.584 0.179 0.000 1.044 220 A CA -0.611 51.592 52.037 0.277 0.000 0.693 220 A CB 1.114 20.254 19.000 0.234 0.000 1.272 220 A HN 0.548 nan 8.150 nan 0.000 0.402 221 I N 2.037 122.659 120.570 0.087 0.000 2.433 221 I HA 0.429 4.596 4.170 -0.005 0.000 0.292 221 I C -1.321 174.789 176.117 -0.013 0.000 1.001 221 I CA -0.713 60.548 61.300 -0.065 0.000 1.119 221 I CB 1.861 39.834 38.000 -0.046 0.000 1.289 221 I HN 0.429 nan 8.210 nan 0.000 0.438 222 L N 6.557 127.733 121.223 -0.078 0.000 2.388 222 L HA 0.356 4.692 4.340 -0.005 0.000 0.267 222 L C -0.464 176.388 176.870 -0.030 0.000 0.995 222 L CA -0.191 54.589 54.840 -0.101 0.000 0.864 222 L CB 1.397 43.309 42.059 -0.245 0.000 1.216 222 L HN 0.512 nan 8.230 nan 0.000 0.430 223 Q N 1.614 121.466 119.800 0.087 0.000 2.296 223 Q HA 0.454 4.791 4.340 -0.005 0.000 0.257 223 Q C 0.258 176.291 176.000 0.055 0.000 0.942 223 Q CA -0.582 55.324 55.803 0.172 0.000 0.939 223 Q CB 1.143 30.087 28.738 0.343 0.000 1.198 223 Q HN 0.556 nan 8.270 nan 0.000 0.429 224 S N 1.095 116.807 115.700 0.019 0.000 3.477 224 S HA -0.149 4.318 4.470 -0.005 0.000 0.371 224 S C 0.078 174.841 174.600 0.273 0.000 0.965 224 S CA 0.502 58.754 58.200 0.087 0.000 1.239 224 S CB -1.303 61.862 63.200 -0.058 0.000 0.918 224 S HN 1.020 nan 8.310 nan 0.000 0.498 225 G N -0.489 108.422 108.800 0.185 0.000 2.442 225 G HA2 0.619 4.576 3.960 -0.005 0.000 0.296 225 G HA3 0.619 4.576 3.960 -0.005 0.000 0.296 225 G C -1.001 173.836 174.900 -0.106 0.000 1.564 225 G CA 0.084 45.326 45.100 0.236 0.000 0.828 225 G HN 1.302 nan 8.290 nan 0.000 0.571 226 S N -0.573 114.957 115.700 -0.284 0.000 2.567 226 S HA 0.540 5.007 4.470 -0.005 0.000 0.270 226 S C 0.604 174.858 174.600 -0.577 0.000 1.152 226 S CA -0.200 57.673 58.200 -0.545 0.000 0.835 226 S CB 0.947 63.710 63.200 -0.729 0.000 1.115 226 S HN 1.918 nan 8.310 nan 0.000 0.459 227 F N 1.672 121.409 119.950 -0.355 0.000 2.307 227 F HA -0.013 4.511 4.527 -0.006 0.000 0.301 227 F C 1.645 177.256 175.800 -0.315 0.000 1.076 227 F CA 1.337 59.165 58.000 -0.287 0.000 1.383 227 F CB -0.573 38.341 39.000 -0.143 0.000 1.055 227 F HN 0.653 nan 8.300 nan 0.000 0.526 228 N N 1.561 119.627 118.700 -1.056 0.000 2.461 228 N HA 0.088 4.825 4.740 -0.005 0.000 0.188 228 N C 0.468 175.668 175.510 -0.517 0.000 1.134 228 N CA 0.566 53.251 53.050 -0.609 0.000 0.878 228 N CB -0.598 37.534 38.487 -0.592 0.000 0.972 228 N HN 0.409 nan 8.380 nan 0.000 0.456 229 A N 2.084 124.463 122.820 -0.735 0.000 2.445 229 A HA 0.282 4.599 4.320 -0.005 0.000 0.242 229 A C -1.012 176.008 177.584 -0.940 0.000 1.075 229 A CA -1.059 50.397 52.037 -0.969 0.000 0.777 229 A CB 0.389 18.481 19.000 -1.513 0.000 1.013 229 A HN 0.092 nan 8.150 nan 0.000 0.493 230 P HA -0.102 nan 4.420 nan 0.000 0.226 230 P C 1.008 178.084 177.300 -0.373 0.000 1.153 230 P CA 1.171 63.960 63.100 -0.519 0.000 0.777 230 P CB -0.077 31.261 31.700 -0.604 0.000 0.794 231 W N -1.319 119.782 121.300 -0.332 0.000 3.290 231 W HA 0.554 5.211 4.660 -0.005 0.000 0.287 231 W C 0.953 177.397 176.519 -0.126 0.000 1.288 231 W CA 0.318 57.522 57.345 -0.235 0.000 1.725 231 W CB -1.062 28.218 29.460 -0.301 0.000 1.103 231 W HN -0.099 nan 8.180 nan 0.000 0.670 232 A N 1.085 123.669 122.820 -0.393 0.000 2.147 232 A HA 0.365 4.681 4.320 -0.005 0.000 0.211 232 A C 0.538 178.029 177.584 -0.155 0.000 1.160 232 A CA 0.603 52.512 52.037 -0.212 0.000 0.781 232 A CB -0.163 18.471 19.000 -0.610 0.000 0.842 232 A HN -0.004 nan 8.150 nan 0.000 0.475 233 V N 0.453 120.272 119.914 -0.160 0.000 2.638 233 V HA 0.386 4.503 4.120 -0.005 0.000 0.306 233 V C -0.591 175.432 176.094 -0.118 0.000 1.052 233 V CA -0.581 61.629 62.300 -0.151 0.000 0.885 233 V CB 1.856 33.629 31.823 -0.084 0.000 0.999 233 V HN 0.191 nan 8.190 nan 0.000 0.424 234 T N 3.063 117.539 114.554 -0.130 0.000 2.799 234 T HA 0.404 4.751 4.350 -0.005 0.000 0.286 234 T C 0.345 175.009 174.700 -0.060 0.000 0.973 234 T CA -0.323 61.717 62.100 -0.100 0.000 1.035 234 T CB 1.265 70.059 68.868 -0.125 0.000 0.932 234 T HN 0.917 nan 8.240 nan 0.000 0.469 235 S N 3.050 118.731 115.700 -0.032 0.000 2.585 235 S HA 0.197 4.664 4.470 -0.005 0.000 0.273 235 S C 1.343 175.952 174.600 0.014 0.000 1.339 235 S CA -0.781 57.425 58.200 0.011 0.000 1.028 235 S CB 0.376 63.612 63.200 0.061 0.000 0.906 235 S HN 0.381 nan 8.310 nan 0.000 0.528 236 L N 1.380 122.627 121.223 0.039 0.000 2.079 236 L HA -0.033 4.304 4.340 -0.005 0.000 0.210 236 L C 2.166 179.078 176.870 0.069 0.000 1.081 236 L CA 1.755 56.621 54.840 0.044 0.000 0.752 236 L CB -1.770 40.321 42.059 0.052 0.000 0.896 236 L HN 0.929 nan 8.230 nan 0.000 0.433 237 Y N 0.991 121.282 120.300 -0.014 0.000 2.049 237 Y HA -0.277 4.270 4.550 -0.006 0.000 0.277 237 Y C 2.449 178.336 175.900 -0.022 0.000 1.143 237 Y CA 2.120 60.211 58.100 -0.014 0.000 1.115 237 Y CB -0.499 37.954 38.460 -0.012 0.000 0.975 237 Y HN 0.333 nan 8.280 nan 0.000 0.487 238 E N 0.235 120.248 120.200 -0.313 0.000 2.118 238 E HA -0.203 4.144 4.350 -0.005 0.000 0.195 238 E C 2.356 178.785 176.600 -0.285 0.000 0.992 238 E CA 1.129 57.284 56.400 -0.408 0.000 0.804 238 E CB -0.396 29.173 29.700 -0.218 0.000 0.741 238 E HN 0.585 nan 8.360 nan 0.000 0.458 239 A N 1.555 124.276 122.820 -0.165 0.000 1.902 239 A HA -0.193 4.124 4.320 -0.005 0.000 0.217 239 A C 2.079 179.611 177.584 -0.087 0.000 1.181 239 A CA 1.209 53.180 52.037 -0.110 0.000 0.623 239 A CB -0.309 18.669 19.000 -0.036 0.000 0.818 239 A HN 0.058 nan 8.150 nan 0.000 0.443 240 R N -0.759 119.692 120.500 -0.082 0.000 2.073 240 R HA -0.144 4.193 4.340 -0.005 0.000 0.234 240 R C 2.080 178.327 176.300 -0.089 0.000 1.134 240 R CA 1.536 57.605 56.100 -0.053 0.000 0.952 240 R CB -0.674 29.617 30.300 -0.014 0.000 0.850 240 R HN 0.577 nan 8.270 nan 0.000 0.433 241 N N 0.845 119.430 118.700 -0.192 0.000 2.192 241 N HA -0.171 4.566 4.740 -0.005 0.000 0.188 241 N C 1.647 177.079 175.510 -0.130 0.000 1.013 241 N CA 1.471 54.403 53.050 -0.198 0.000 0.863 241 N CB 0.035 38.291 38.487 -0.385 0.000 0.990 241 N HN 0.164 nan 8.380 nan 0.000 0.430 242 R N -1.429 118.983 120.500 -0.147 0.000 2.100 242 R HA 0.127 4.463 4.340 -0.005 0.000 0.220 242 R C 2.012 178.343 176.300 0.053 0.000 1.091 242 R CA 1.283 57.310 56.100 -0.121 0.000 0.986 242 R CB -0.321 29.767 30.300 -0.354 0.000 0.888 242 R HN 0.152 nan 8.270 nan 0.000 0.444 243 T N 1.886 116.482 114.554 0.070 0.000 2.652 243 T HA -0.113 4.234 4.350 -0.005 0.000 0.267 243 T C 1.842 176.571 174.700 0.048 0.000 1.039 243 T CA 1.271 63.428 62.100 0.094 0.000 1.153 243 T CB -0.216 68.671 68.868 0.031 0.000 0.863 243 T HN 0.099 nan 8.240 nan 0.000 0.428 244 L N 1.088 122.323 121.223 0.018 0.000 2.046 244 L HA -0.133 4.204 4.340 -0.005 0.000 0.208 244 L C 2.565 179.453 176.870 0.031 0.000 1.077 244 L CA 1.086 55.936 54.840 0.017 0.000 0.747 244 L CB -0.802 41.261 42.059 0.006 0.000 0.896 244 L HN 0.190 nan 8.230 nan 0.000 0.432 245 N N 0.352 119.071 118.700 0.032 0.000 2.149 245 N HA -0.191 4.546 4.740 -0.005 0.000 0.188 245 N C 1.768 177.332 175.510 0.089 0.000 1.019 245 N CA 1.161 54.241 53.050 0.050 0.000 0.857 245 N CB -0.378 38.132 38.487 0.039 0.000 0.997 245 N HN 0.184 nan 8.380 nan 0.000 0.426 246 L N 0.630 121.927 121.223 0.124 0.000 2.109 246 L HA 0.056 4.393 4.340 -0.005 0.000 0.207 246 L C 1.996 178.919 176.870 0.089 0.000 1.086 246 L CA 1.157 56.084 54.840 0.146 0.000 0.760 246 L CB -0.709 41.469 42.059 0.199 0.000 0.910 246 L HN 0.112 nan 8.230 nan 0.000 0.437 247 A N -0.031 122.825 122.820 0.060 0.000 1.841 247 A HA -0.322 3.994 4.320 -0.005 0.000 0.216 247 A C 2.401 180.011 177.584 0.043 0.000 1.199 247 A CA 2.217 54.279 52.037 0.041 0.000 0.621 247 A CB -0.855 18.161 19.000 0.025 0.000 0.835 247 A HN 0.473 nan 8.150 nan 0.000 0.445 248 K N -0.451 119.973 120.400 0.040 0.000 2.107 248 K HA -0.184 4.133 4.320 -0.005 0.000 0.211 248 K C 1.710 178.332 176.600 0.036 0.000 1.049 248 K CA 2.026 58.333 56.287 0.033 0.000 0.927 248 K CB -0.427 32.091 32.500 0.029 0.000 0.714 248 K HN 0.458 nan 8.250 nan 0.000 0.452 249 L N 0.197 121.452 121.223 0.053 0.000 2.395 249 L HA -0.039 4.298 4.340 -0.005 0.000 0.218 249 L C 1.674 178.577 176.870 0.054 0.000 1.130 249 L CA 1.206 56.079 54.840 0.055 0.000 0.826 249 L CB -0.135 41.981 42.059 0.094 0.000 0.941 249 L HN 0.360 nan 8.230 nan 0.000 0.451 250 T N -3.720 110.868 114.554 0.057 0.000 3.176 250 T HA 0.301 4.648 4.350 -0.005 0.000 0.263 250 T C 1.186 175.910 174.700 0.040 0.000 1.021 250 T CA 0.114 62.246 62.100 0.053 0.000 0.905 250 T CB 0.278 69.184 68.868 0.063 0.000 1.057 250 T HN 0.292 nan 8.240 nan 0.000 0.558 251 G N 0.460 109.280 108.800 0.032 0.000 2.386 251 G HA2 -0.249 3.708 3.960 -0.005 0.000 0.295 251 G HA3 -0.249 3.708 3.960 -0.005 0.000 0.295 251 G C 0.476 175.392 174.900 0.028 0.000 0.979 251 G CA 0.130 45.245 45.100 0.026 0.000 1.193 251 G HN 0.651 nan 8.290 nan 0.000 0.508 252 c N 0.442 119.060 118.600 0.030 0.000 3.525 252 c HA 0.403 4.970 4.570 -0.005 0.000 0.289 252 c C 1.584 175.687 174.090 0.023 0.000 1.496 252 c CA 0.077 56.423 56.329 0.029 0.000 1.804 252 c CB -0.666 41.866 42.510 0.035 0.000 2.708 252 c HN 0.743 nan 8.230 nan 0.000 0.642 253 S N 1.936 117.649 115.700 0.022 0.000 2.573 253 S HA 0.286 4.753 4.470 -0.005 0.000 0.297 253 S C 0.286 174.895 174.600 0.016 0.000 1.280 253 S CA 0.731 58.941 58.200 0.018 0.000 1.061 253 S CB 0.589 63.800 63.200 0.017 0.000 0.812 253 S HN 0.512 nan 8.310 nan 0.000 0.500 254 R N 0.909 121.417 120.500 0.014 0.000 3.015 254 R HA 0.429 4.766 4.340 -0.005 0.000 0.258 254 R C 0.509 176.815 176.300 0.012 0.000 1.172 254 R CA -0.691 55.417 56.100 0.013 0.000 1.003 254 R CB 0.225 30.532 30.300 0.013 0.000 1.326 254 R HN 0.587 nan 8.270 nan 0.000 0.449 255 E N -0.689 119.517 120.200 0.011 0.000 2.357 255 E HA 0.124 4.471 4.350 -0.005 0.000 0.202 255 E C -0.093 176.513 176.600 0.010 0.000 0.855 255 E CA 0.075 56.482 56.400 0.011 0.000 1.048 255 E CB -0.432 29.274 29.700 0.010 0.000 1.037 255 E HN 0.340 nan 8.360 nan 0.000 0.499 256 N N 2.094 120.800 118.700 0.010 0.000 2.475 256 N HA -0.026 4.711 4.740 -0.005 0.000 0.267 256 N C 0.446 175.961 175.510 0.008 0.000 1.169 256 N CA 0.251 53.307 53.050 0.009 0.000 0.947 256 N CB 0.996 39.489 38.487 0.010 0.000 1.061 256 N HN 0.151 nan 8.380 nan 0.000 0.466 257 E N 1.686 121.889 120.200 0.006 0.000 2.216 257 E HA -0.063 4.284 4.350 -0.005 0.000 0.192 257 E C 0.791 177.391 176.600 0.000 0.000 0.988 257 E CA 0.942 57.342 56.400 0.001 0.000 0.834 257 E CB 0.160 29.860 29.700 -0.000 0.000 0.772 257 E HN 0.610 nan 8.360 nan 0.000 0.479 258 T N 1.376 115.933 114.554 0.005 0.000 3.072 258 T HA -0.047 4.300 4.350 -0.005 0.000 0.266 258 T C 1.389 176.098 174.700 0.015 0.000 1.127 258 T CA 0.651 62.757 62.100 0.010 0.000 1.107 258 T CB 0.036 68.911 68.868 0.012 0.000 0.910 258 T HN 0.175 nan 8.240 nan 0.000 0.513 259 E N 0.754 120.962 120.200 0.013 0.000 2.140 259 E HA 0.112 4.459 4.350 -0.005 0.000 0.191 259 E C 2.139 178.750 176.600 0.019 0.000 0.973 259 E CA 0.397 56.808 56.400 0.017 0.000 0.829 259 E CB -0.050 29.659 29.700 0.015 0.000 0.781 259 E HN 0.491 nan 8.360 nan 0.000 0.466 260 I N 1.648 122.225 120.570 0.010 0.000 2.163 260 I HA -0.279 3.888 4.170 -0.005 0.000 0.243 260 I C 2.312 178.435 176.117 0.009 0.000 1.085 260 I CA 0.947 62.252 61.300 0.007 0.000 1.347 260 I CB -0.268 37.728 38.000 -0.007 0.000 1.044 260 I HN 0.075 nan 8.210 nan 0.000 0.408 261 I N 0.506 121.076 120.570 0.000 0.000 2.226 261 I HA -0.255 3.912 4.170 -0.005 0.000 0.245 261 I C 2.490 178.662 176.117 0.092 0.000 1.100 261 I CA 1.463 62.771 61.300 0.014 0.000 1.374 261 I CB -1.417 36.583 38.000 0.001 0.000 1.057 261 I HN 0.280 nan 8.210 nan 0.000 0.413 262 K N 0.685 121.124 120.400 0.065 0.000 2.009 262 K HA -0.238 4.079 4.320 -0.005 0.000 0.210 262 K C 2.444 179.085 176.600 0.068 0.000 1.049 262 K CA 1.788 58.114 56.287 0.065 0.000 0.929 262 K CB -0.654 31.871 32.500 0.041 0.000 0.714 262 K HN 0.404 nan 8.250 nan 0.000 0.440 263 c N 1.321 119.954 118.600 0.055 0.000 2.386 263 c HA -0.149 4.418 4.570 -0.005 0.000 0.279 263 c C 2.816 176.953 174.090 0.079 0.000 1.208 263 c CA 1.109 57.471 56.329 0.054 0.000 1.747 263 c CB -1.160 41.374 42.510 0.041 0.000 2.046 263 c HN 0.545 nan 8.230 nan 0.000 0.453 264 L N 0.167 121.454 121.223 0.107 0.000 2.137 264 L HA -0.204 4.133 4.340 -0.005 0.000 0.213 264 L C 2.898 179.908 176.870 0.234 0.000 1.085 264 L CA 1.756 56.706 54.840 0.184 0.000 0.760 264 L CB -0.695 41.483 42.059 0.197 0.000 0.893 264 L HN 0.432 nan 8.230 nan 0.000 0.434 265 R N -0.284 120.339 120.500 0.204 0.000 2.316 265 R HA -0.047 4.289 4.340 -0.005 0.000 0.202 265 R C 1.330 177.646 176.300 0.026 0.000 1.029 265 R CA 0.411 56.564 56.100 0.088 0.000 1.018 265 R CB -0.095 30.253 30.300 0.080 0.000 0.888 265 R HN 0.500 nan 8.270 nan 0.000 0.471 266 N N 0.114 118.840 118.700 0.043 0.000 2.356 266 N HA -0.012 4.724 4.740 -0.005 0.000 0.178 266 N C -0.050 175.472 175.510 0.021 0.000 1.075 266 N CA 0.360 53.423 53.050 0.022 0.000 0.889 266 N CB 0.381 38.883 38.487 0.025 0.000 0.999 266 N HN -0.080 nan 8.380 nan 0.000 0.464 267 K N 1.775 122.197 120.400 0.037 0.000 2.336 267 K HA 0.009 4.326 4.320 -0.005 0.000 0.262 267 K C 0.207 176.814 176.600 0.012 0.000 0.992 267 K CA 0.077 56.384 56.287 0.033 0.000 0.927 267 K CB 0.544 33.078 32.500 0.056 0.000 0.956 267 K HN 0.093 nan 8.250 nan 0.000 0.495 268 D N 1.919 122.326 120.400 0.011 0.000 2.304 268 D HA 0.074 4.711 4.640 -0.005 0.000 0.250 268 D C -1.570 174.730 176.300 -0.001 0.000 1.107 268 D CA -1.909 52.091 54.000 -0.000 0.000 0.885 268 D CB 1.178 41.981 40.800 0.005 0.000 1.192 268 D HN -0.005 nan 8.370 nan 0.000 0.436 269 P HA -0.244 nan 4.420 nan 0.000 0.220 269 P C 1.117 178.418 177.300 0.001 0.000 1.155 269 P CA 1.541 64.628 63.100 -0.023 0.000 0.880 269 P CB 0.287 31.969 31.700 -0.030 0.000 0.790 270 Q N 0.064 119.869 119.800 0.009 0.000 2.119 270 Q HA -0.166 4.171 4.340 -0.005 0.000 0.201 270 Q C 1.931 177.953 176.000 0.037 0.000 0.972 270 Q CA 1.710 57.525 55.803 0.021 0.000 0.847 270 Q CB -0.725 28.024 28.738 0.019 0.000 0.903 270 Q HN 0.358 nan 8.270 nan 0.000 0.433 271 E N -0.619 119.604 120.200 0.038 0.000 2.208 271 E HA -0.087 4.260 4.350 -0.005 0.000 0.193 271 E C 1.897 178.537 176.600 0.067 0.000 0.988 271 E CA 0.910 57.342 56.400 0.054 0.000 0.828 271 E CB -0.027 29.702 29.700 0.048 0.000 0.763 271 E HN 0.397 nan 8.360 nan 0.000 0.478 272 I N 0.893 121.495 120.570 0.055 0.000 2.233 272 I HA -0.251 3.916 4.170 -0.005 0.000 0.243 272 I C 2.263 178.409 176.117 0.049 0.000 1.093 272 I CA 0.926 62.260 61.300 0.056 0.000 1.380 272 I CB -0.132 37.899 38.000 0.052 0.000 1.067 272 I HN 0.091 nan 8.210 nan 0.000 0.413 273 L N -0.183 121.062 121.223 0.037 0.000 2.042 273 L HA -0.247 4.089 4.340 -0.005 0.000 0.210 273 L C 2.444 179.348 176.870 0.057 0.000 1.076 273 L CA 0.979 55.841 54.840 0.037 0.000 0.749 273 L CB -0.491 41.585 42.059 0.028 0.000 0.893 273 L HN 0.271 nan 8.230 nan 0.000 0.432 274 L N -0.293 120.978 121.223 0.080 0.000 2.201 274 L HA -0.154 4.182 4.340 -0.005 0.000 0.212 274 L C 1.799 178.790 176.870 0.202 0.000 1.105 274 L CA 1.715 56.628 54.840 0.121 0.000 0.775 274 L CB -1.063 41.071 42.059 0.126 0.000 0.913 274 L HN 0.296 nan 8.230 nan 0.000 0.440 275 N N -1.425 117.395 118.700 0.200 0.000 2.373 275 N HA -0.032 4.705 4.740 -0.005 0.000 0.181 275 N C 1.461 177.109 175.510 0.230 0.000 1.082 275 N CA 0.037 53.275 53.050 0.313 0.000 0.885 275 N CB 0.200 38.838 38.487 0.253 0.000 0.977 275 N HN 0.307 nan 8.380 nan 0.000 0.462 276 E N 1.107 121.397 120.200 0.151 0.000 2.070 276 E HA -0.242 4.105 4.350 -0.005 0.000 0.197 276 E C 1.917 178.572 176.600 0.092 0.000 1.004 276 E CA 1.307 57.853 56.400 0.243 0.000 0.805 276 E CB -0.132 29.694 29.700 0.210 0.000 0.744 276 E HN 0.442 nan 8.360 nan 0.000 0.451 277 A N 0.384 123.087 122.820 -0.194 0.000 2.024 277 A HA -0.163 4.153 4.320 -0.005 0.000 0.220 277 A C 1.553 178.861 177.584 -0.460 0.000 1.164 277 A CA 1.231 53.007 52.037 -0.434 0.000 0.643 277 A CB -0.506 18.052 19.000 -0.737 0.000 0.806 277 A HN 0.213 nan 8.150 nan 0.000 0.451 278 F N -0.789 119.201 119.950 0.066 0.000 2.727 278 F HA 0.109 4.633 4.527 -0.005 0.000 0.302 278 F C 1.899 177.716 175.800 0.028 0.000 1.097 278 F CA 0.358 58.382 58.000 0.040 0.000 1.330 278 F CB -0.281 38.744 39.000 0.040 0.000 1.084 278 F HN 0.088 nan 8.300 nan 0.000 0.578 279 V N -2.339 117.663 119.914 0.148 0.000 3.383 279 V HA -0.005 4.112 4.120 -0.005 0.000 0.272 279 V C 0.507 176.595 176.094 -0.011 0.000 1.181 279 V CA 0.410 62.756 62.300 0.077 0.000 1.171 279 V CB -1.055 30.798 31.823 0.050 0.000 0.800 279 V HN 0.049 nan 8.190 nan 0.000 0.515 280 V N 1.493 121.406 119.914 -0.002 0.000 2.656 280 V HA 0.487 4.603 4.120 -0.005 0.000 0.307 280 V C -1.052 175.057 176.094 0.025 0.000 1.051 280 V CA -1.326 60.956 62.300 -0.031 0.000 0.893 280 V CB 2.431 34.207 31.823 -0.078 0.000 0.999 280 V HN 0.184 nan 8.190 nan 0.000 0.426 281 P HA -0.025 nan 4.420 nan 0.000 0.212 281 P C 0.161 177.485 177.300 0.041 0.000 1.180 281 P CA 1.799 64.924 63.100 0.042 0.000 0.906 281 P CB 0.014 31.733 31.700 0.032 0.000 0.782 282 Y N -0.159 120.153 120.300 0.021 0.000 2.420 282 Y HA 0.696 5.243 4.550 -0.005 0.000 0.334 282 Y C 0.681 176.572 175.900 -0.015 0.000 1.094 282 Y CA -0.806 57.300 58.100 0.010 0.000 1.126 282 Y CB 1.700 40.169 38.460 0.014 0.000 1.217 282 Y HN 0.276 nan 8.280 nan 0.000 0.462 283 G N -0.132 108.648 108.800 -0.034 0.000 2.866 283 G HA2 0.742 4.699 3.960 -0.005 0.000 0.289 283 G HA3 0.742 4.699 3.960 -0.005 0.000 0.289 283 G C -0.296 174.548 174.900 -0.093 0.000 1.396 283 G CA -0.129 44.934 45.100 -0.061 0.000 0.848 283 G HN 1.594 nan 8.290 nan 0.000 0.515 284 T N -3.165 111.319 114.554 -0.117 0.000 2.812 284 T HA 0.607 4.954 4.350 -0.005 0.000 0.294 284 T C -2.421 172.191 174.700 -0.146 0.000 1.159 284 T CA -1.310 60.678 62.100 -0.188 0.000 1.008 284 T CB 1.861 70.597 68.868 -0.219 0.000 1.289 284 T HN 0.137 nan 8.240 nan 0.000 0.514 285 P HA 0.173 nan 4.420 nan 0.000 0.226 285 P C 0.716 177.999 177.300 -0.028 0.000 1.146 285 P CA 0.694 63.787 63.100 -0.011 0.000 0.773 285 P CB -0.036 31.762 31.700 0.165 0.000 0.772 286 L N -2.177 118.973 121.223 -0.121 0.000 2.857 286 L HA 0.181 4.518 4.340 -0.005 0.000 0.249 286 L C 0.543 177.299 176.870 -0.190 0.000 1.172 286 L CA -0.077 54.598 54.840 -0.276 0.000 0.980 286 L CB 0.116 41.924 42.059 -0.418 0.000 1.299 286 L HN -0.255 nan 8.230 nan 0.000 0.535 287 S N 0.111 115.738 115.700 -0.122 0.000 2.558 287 S HA 0.166 4.633 4.470 -0.005 0.000 0.288 287 S C 0.176 174.742 174.600 -0.056 0.000 1.318 287 S CA -0.031 58.120 58.200 -0.082 0.000 1.056 287 S CB 1.146 64.297 63.200 -0.080 0.000 0.853 287 S HN -0.032 nan 8.310 nan 0.000 0.505 288 V N 4.924 124.826 119.914 -0.021 0.000 2.315 288 V HA 0.193 4.310 4.120 -0.005 0.000 0.265 288 V C 0.732 176.797 176.094 -0.048 0.000 1.019 288 V CA -0.598 61.717 62.300 0.025 0.000 0.824 288 V CB 0.428 32.332 31.823 0.134 0.000 1.072 288 V HN 0.871 nan 8.190 nan 0.000 0.448 289 N N 2.858 121.512 118.700 -0.078 0.000 2.244 289 N HA 0.020 4.756 4.740 -0.005 0.000 0.183 289 N C -0.310 174.866 175.510 -0.557 0.000 1.016 289 N CA 1.201 54.068 53.050 -0.304 0.000 0.866 289 N CB 0.134 38.448 38.487 -0.288 0.000 0.980 289 N HN 0.500 nan 8.380 nan 0.000 0.430 290 F N 0.004 119.963 119.950 0.014 0.000 2.500 290 F HA 0.523 5.046 4.527 -0.005 0.000 0.349 290 F C 0.590 176.334 175.800 -0.093 0.000 1.127 290 F CA -0.861 57.159 58.000 0.033 0.000 0.998 290 F CB 1.832 40.917 39.000 0.142 0.000 1.237 290 F HN -0.169 nan 8.300 nan 0.000 0.439 291 G N 2.268 110.977 108.800 -0.151 0.000 2.921 291 G HA2 0.670 4.627 3.960 -0.005 0.000 0.291 291 G HA3 0.670 4.627 3.960 -0.005 0.000 0.291 291 G C -3.236 171.283 174.900 -0.636 0.000 1.370 291 G CA -2.069 42.590 45.100 -0.733 0.000 0.847 291 G HN 0.116 nan 8.290 nan 0.000 0.532 292 P HA 0.214 nan 4.420 nan 0.000 0.265 292 P C -0.008 177.178 177.300 -0.191 0.000 1.187 292 P CA 0.379 63.223 63.100 -0.426 0.000 0.766 292 P CB 0.701 32.094 31.700 -0.511 0.000 0.820 293 T N -1.701 112.816 114.554 -0.062 0.000 2.901 293 T HA 0.432 4.779 4.350 -0.005 0.000 0.293 293 T C -0.408 174.290 174.700 -0.004 0.000 1.084 293 T CA -0.908 61.175 62.100 -0.029 0.000 1.008 293 T CB 0.671 69.547 68.868 0.013 0.000 1.170 293 T HN -0.017 nan 8.240 nan 0.000 0.509 294 V N 3.161 123.073 119.914 -0.003 0.000 2.387 294 V HA 0.190 4.306 4.120 -0.005 0.000 0.260 294 V C 0.703 176.820 176.094 0.038 0.000 1.054 294 V CA -0.083 62.222 62.300 0.009 0.000 0.967 294 V CB -0.092 31.728 31.823 -0.005 0.000 1.036 294 V HN 1.062 nan 8.190 nan 0.000 0.481 295 D N 2.931 123.373 120.400 0.070 0.000 2.369 295 D HA 0.145 4.782 4.640 -0.005 0.000 0.211 295 D C 1.464 177.819 176.300 0.091 0.000 1.077 295 D CA 0.575 54.631 54.000 0.093 0.000 0.842 295 D CB 0.558 41.449 40.800 0.151 0.000 0.947 295 D HN 0.720 nan 8.370 nan 0.000 0.509 296 G N 0.673 109.516 108.800 0.072 0.000 2.168 296 G HA2 -0.332 3.625 3.960 -0.005 0.000 0.263 296 G HA3 -0.332 3.625 3.960 -0.005 0.000 0.263 296 G C 0.485 175.437 174.900 0.087 0.000 0.977 296 G CA 0.788 45.923 45.100 0.059 0.000 0.659 296 G HN 0.528 nan 8.290 nan 0.000 0.533 297 D N -1.543 118.947 120.400 0.149 0.000 3.163 297 D HA 0.194 4.830 4.640 -0.005 0.000 0.228 297 D C 1.711 178.169 176.300 0.264 0.000 1.521 297 D CA 0.508 54.647 54.000 0.231 0.000 1.334 297 D CB -0.553 40.439 40.800 0.321 0.000 1.126 297 D HN 0.159 nan 8.370 nan 0.000 0.304 298 F N 1.209 121.251 119.950 0.153 0.000 2.186 298 F HA 0.262 4.786 4.527 -0.005 0.000 0.299 298 F C 0.578 176.307 175.800 -0.119 0.000 1.090 298 F CA 0.925 58.826 58.000 -0.165 0.000 1.307 298 F CB 0.397 39.030 39.000 -0.612 0.000 1.019 298 F HN -0.053 nan 8.300 nan 0.000 0.489 299 L N 1.134 122.404 121.223 0.077 0.000 2.345 299 L HA 0.204 4.540 4.340 -0.005 0.000 0.274 299 L C 0.952 177.814 176.870 -0.014 0.000 0.999 299 L CA -0.164 54.667 54.840 -0.014 0.000 0.849 299 L CB 1.516 43.603 42.059 0.047 0.000 1.220 299 L HN 0.130 nan 8.230 nan 0.000 0.422 300 T N -1.238 113.285 114.554 -0.051 0.000 3.129 300 T HA 0.097 4.443 4.350 -0.005 0.000 0.251 300 T C 0.253 174.935 174.700 -0.030 0.000 1.117 300 T CA 0.171 62.254 62.100 -0.028 0.000 1.034 300 T CB 0.113 68.960 68.868 -0.036 0.000 0.968 300 T HN 0.515 nan 8.240 nan 0.000 0.526 301 D N -0.437 119.935 120.400 -0.046 0.000 2.710 301 D HA 0.263 4.900 4.640 -0.005 0.000 0.276 301 D C -0.973 175.294 176.300 -0.055 0.000 1.267 301 D CA -0.795 53.182 54.000 -0.039 0.000 0.772 301 D CB 1.156 41.934 40.800 -0.037 0.000 1.299 301 D HN 0.145 nan 8.370 nan 0.000 0.421 302 M N 2.156 121.733 119.600 -0.038 0.000 2.290 302 M HA 0.113 4.590 4.480 -0.005 0.000 0.356 302 M C -1.413 174.838 176.300 -0.081 0.000 1.448 302 M CA -0.602 54.672 55.300 -0.044 0.000 0.993 302 M CB 0.402 32.996 32.600 -0.009 0.000 1.934 302 M HN 0.210 nan 8.290 nan 0.000 0.461 303 P HA -0.107 nan 4.420 nan 0.000 0.236 303 P C 0.349 177.557 177.300 -0.153 0.000 1.177 303 P CA 0.930 63.807 63.100 -0.371 0.000 0.773 303 P CB -0.123 31.030 31.700 -0.911 0.000 0.878 304 D N 0.637 121.089 120.400 0.087 0.000 2.178 304 D HA -0.142 4.494 4.640 -0.005 0.000 0.201 304 D C 1.957 178.347 176.300 0.150 0.000 0.980 304 D CA 0.875 55.017 54.000 0.238 0.000 0.842 304 D CB -0.977 39.933 40.800 0.183 0.000 0.948 304 D HN 0.251 nan 8.370 nan 0.000 0.472 305 I N 0.491 121.105 120.570 0.074 0.000 2.286 305 I HA -0.181 3.986 4.170 -0.005 0.000 0.245 305 I C 2.674 178.820 176.117 0.048 0.000 1.104 305 I CA 0.468 61.802 61.300 0.057 0.000 1.397 305 I CB -0.264 37.751 38.000 0.024 0.000 1.072 305 I HN -0.077 nan 8.210 nan 0.000 0.417 306 L N 0.261 121.494 121.223 0.017 0.000 1.990 306 L HA -0.263 4.073 4.340 -0.005 0.000 0.213 306 L C 2.681 179.626 176.870 0.126 0.000 1.072 306 L CA 1.255 56.106 54.840 0.018 0.000 0.755 306 L CB -0.773 41.272 42.059 -0.024 0.000 0.889 306 L HN 0.274 nan 8.230 nan 0.000 0.432 307 L N 0.454 121.805 121.223 0.213 0.000 1.989 307 L HA -0.246 4.091 4.340 -0.005 0.000 0.211 307 L C 2.569 179.611 176.870 0.286 0.000 1.071 307 L CA 2.075 57.096 54.840 0.302 0.000 0.749 307 L CB -0.603 41.689 42.059 0.389 0.000 0.890 307 L HN 0.252 nan 8.230 nan 0.000 0.431 308 E N -0.382 119.958 120.200 0.233 0.000 2.118 308 E HA -0.195 4.152 4.350 -0.005 0.000 0.195 308 E C 1.755 178.545 176.600 0.316 0.000 0.992 308 E CA 1.688 58.240 56.400 0.254 0.000 0.804 308 E CB -0.309 29.497 29.700 0.177 0.000 0.741 308 E HN 0.593 nan 8.360 nan 0.000 0.458 309 L N -1.173 120.140 121.223 0.149 0.000 2.700 309 L HA 0.348 4.684 4.340 -0.005 0.000 0.234 309 L C 1.111 177.713 176.870 -0.448 0.000 1.156 309 L CA 0.178 55.057 54.840 0.065 0.000 0.946 309 L CB 0.160 42.223 42.059 0.008 0.000 1.216 309 L HN 0.393 nan 8.230 nan 0.000 0.493 310 G N 0.145 108.481 108.800 -0.773 0.000 2.147 310 G HA2 -0.236 3.721 3.960 -0.005 0.000 0.244 310 G HA3 -0.236 3.721 3.960 -0.005 0.000 0.244 310 G C 0.228 174.118 174.900 -1.682 0.000 1.005 310 G CA -0.240 43.484 45.100 -2.293 0.000 0.713 310 G HN 0.321 nan 8.290 nan 0.000 0.515 311 Q N -0.231 119.094 119.800 -0.791 0.000 2.810 311 Q HA 0.576 4.913 4.340 -0.005 0.000 0.236 311 Q C 0.053 175.913 176.000 -0.233 0.000 1.278 311 Q CA 0.072 55.577 55.803 -0.496 0.000 1.065 311 Q CB -0.362 28.234 28.738 -0.236 0.000 1.364 311 Q HN 0.831 nan 8.270 nan 0.000 0.570 312 F N -2.216 117.604 119.950 -0.218 0.000 2.779 312 F HA 0.471 4.994 4.527 -0.007 0.000 0.316 312 F C -0.358 175.412 175.800 -0.051 0.000 1.164 312 F CA -1.675 56.284 58.000 -0.069 0.000 0.924 312 F CB 0.975 39.990 39.000 0.025 0.000 1.348 312 F HN -0.142 nan 8.300 nan 0.000 0.467 313 K N 1.797 122.383 120.400 0.310 0.000 2.416 313 K HA 0.134 4.451 4.320 -0.005 0.000 0.283 313 K C -0.793 175.939 176.600 0.221 0.000 1.037 313 K CA -0.365 55.948 56.287 0.044 0.000 0.995 313 K CB 0.508 32.868 32.500 -0.233 0.000 0.938 313 K HN 0.490 nan 8.250 nan 0.000 0.475 314 K N 3.334 123.762 120.400 0.047 0.000 2.267 314 K HA 0.179 4.496 4.320 -0.005 0.000 0.282 314 K C -0.199 176.474 176.600 0.122 0.000 1.078 314 K CA -0.127 56.210 56.287 0.082 0.000 0.903 314 K CB 1.305 33.803 32.500 -0.005 0.000 1.111 314 K HN 0.791 nan 8.250 nan 0.000 0.475 315 T N 1.289 116.013 114.554 0.283 0.000 2.677 315 T HA 0.209 4.556 4.350 -0.005 0.000 0.305 315 T C -1.539 173.385 174.700 0.372 0.000 1.569 315 T CA -0.691 61.547 62.100 0.230 0.000 0.984 315 T CB 0.870 69.797 68.868 0.100 0.000 1.629 315 T HN 0.364 nan 8.240 nan 0.000 0.494 316 Q N 1.318 121.283 119.800 0.275 0.000 2.259 316 Q HA 0.721 5.057 4.340 -0.005 0.000 0.246 316 Q C -0.096 176.168 176.000 0.439 0.000 0.920 316 Q CA -0.357 55.670 55.803 0.374 0.000 0.895 316 Q CB 0.877 29.835 28.738 0.368 0.000 1.220 316 Q HN 0.647 nan 8.270 nan 0.000 0.439 317 I N -1.441 119.329 120.570 0.334 0.000 2.785 317 I HA 0.663 4.830 4.170 -0.005 0.000 0.302 317 I C -1.274 174.789 176.117 -0.089 0.000 1.069 317 I CA -1.387 59.981 61.300 0.113 0.000 1.045 317 I CB 1.800 39.661 38.000 -0.232 0.000 1.236 317 I HN 0.478 nan 8.210 nan 0.000 0.429 318 L N 5.192 126.134 121.223 -0.468 0.000 2.381 318 L HA 0.778 5.115 4.340 -0.005 0.000 0.274 318 L C -1.509 175.140 176.870 -0.368 0.000 0.988 318 L CA -0.613 53.833 54.840 -0.658 0.000 0.824 318 L CB 1.786 42.945 42.059 -1.500 0.000 1.263 318 L HN 0.572 nan 8.230 nan 0.000 0.410 319 V N 3.819 123.563 119.914 -0.284 0.000 2.789 319 V HA 0.945 5.062 4.120 -0.005 0.000 0.311 319 V C 0.137 175.635 176.094 -0.994 0.000 1.073 319 V CA -0.266 61.785 62.300 -0.415 0.000 0.921 319 V CB 1.779 33.453 31.823 -0.249 0.000 1.009 319 V HN 0.922 nan 8.190 nan 0.000 0.426 320 G N 1.673 109.746 108.800 -1.212 0.000 2.645 320 G HA2 0.859 4.815 3.960 -0.005 0.000 0.292 320 G HA3 0.859 4.815 3.960 -0.005 0.000 0.292 320 G C -1.383 172.880 174.900 -1.062 0.000 1.415 320 G CA 0.020 43.785 45.100 -2.225 0.000 0.785 320 G HN 1.447 nan 8.290 nan 0.000 0.483 321 V N -2.786 116.743 119.914 -0.641 0.000 3.232 321 V HA 0.771 4.887 4.120 -0.005 0.000 0.303 321 V C -1.396 174.771 176.094 0.122 0.000 1.311 321 V CA -1.504 60.762 62.300 -0.056 0.000 1.061 321 V CB 1.761 33.678 31.823 0.155 0.000 1.085 321 V HN 0.642 nan 8.190 nan 0.000 0.447 322 N N 0.834 119.607 118.700 0.121 0.000 2.466 322 N HA 0.449 5.185 4.740 -0.005 0.000 0.294 322 N C 0.574 176.070 175.510 -0.023 0.000 1.129 322 N CA -0.434 52.680 53.050 0.107 0.000 0.931 322 N CB 1.911 40.479 38.487 0.135 0.000 1.193 322 N HN 0.959 nan 8.380 nan 0.000 0.500 323 K N 0.291 120.554 120.400 -0.228 0.000 2.063 323 K HA -0.098 4.219 4.320 -0.005 0.000 0.208 323 K C -0.583 176.072 176.600 0.092 0.000 1.048 323 K CA 1.385 57.563 56.287 -0.182 0.000 0.928 323 K CB 0.169 32.543 32.500 -0.211 0.000 0.713 323 K HN 0.531 nan 8.250 nan 0.000 0.442 324 D N 1.157 121.599 120.400 0.070 0.000 2.943 324 D HA 0.028 4.665 4.640 -0.005 0.000 0.347 324 D C 0.198 176.543 176.300 0.075 0.000 1.305 324 D CA -0.101 53.957 54.000 0.097 0.000 0.870 324 D CB 1.140 41.982 40.800 0.069 0.000 1.081 324 D HN 0.186 nan 8.370 nan 0.000 0.492 325 E N 0.683 120.941 120.200 0.097 0.000 2.147 325 E HA -0.169 4.178 4.350 -0.005 0.000 0.199 325 E C 1.963 178.621 176.600 0.095 0.000 1.005 325 E CA 1.030 57.456 56.400 0.043 0.000 0.810 325 E CB 0.033 29.775 29.700 0.071 0.000 0.736 325 E HN 0.438 nan 8.360 nan 0.000 0.460 326 G N 0.702 109.593 108.800 0.152 0.000 2.683 326 G HA2 -0.151 3.805 3.960 -0.005 0.000 0.213 326 G HA3 -0.151 3.805 3.960 -0.005 0.000 0.213 326 G C 1.682 176.669 174.900 0.145 0.000 1.142 326 G CA 1.071 46.280 45.100 0.181 0.000 0.793 326 G HN 0.383 nan 8.290 nan 0.000 0.534 327 T N -0.157 114.435 114.554 0.062 0.000 2.746 327 T HA -0.001 4.345 4.350 -0.005 0.000 0.267 327 T C 2.609 177.231 174.700 -0.130 0.000 1.039 327 T CA 1.677 63.794 62.100 0.028 0.000 1.142 327 T CB -0.546 68.300 68.868 -0.038 0.000 0.866 327 T HN 0.312 nan 8.240 nan 0.000 0.444 328 A N 1.290 123.895 122.820 -0.359 0.000 1.971 328 A HA -0.032 4.285 4.320 -0.005 0.000 0.222 328 A C 1.956 179.298 177.584 -0.404 0.000 1.182 328 A CA 1.747 53.401 52.037 -0.638 0.000 0.649 328 A CB -1.226 17.208 19.000 -0.942 0.000 0.818 328 A HN 0.630 nan 8.150 nan 0.000 0.458 329 F N -0.636 119.306 119.950 -0.014 0.000 2.743 329 F HA 0.170 4.694 4.527 -0.006 0.000 0.297 329 F C 1.797 177.810 175.800 0.355 0.000 1.131 329 F CA 0.290 58.378 58.000 0.146 0.000 1.426 329 F CB -0.172 38.867 39.000 0.064 0.000 1.116 329 F HN 0.083 nan 8.300 nan 0.000 0.583 330 L N -0.046 121.363 121.223 0.310 0.000 2.156 330 L HA -0.080 4.256 4.340 -0.005 0.000 0.208 330 L C 2.256 179.263 176.870 0.227 0.000 1.095 330 L CA 0.715 55.636 54.840 0.135 0.000 0.770 330 L CB -0.671 41.140 42.059 -0.412 0.000 0.914 330 L HN 0.150 nan 8.230 nan 0.000 0.439 331 V N -4.745 115.377 119.914 0.347 0.000 3.510 331 V HA -0.135 3.982 4.120 -0.005 0.000 0.270 331 V C 0.953 177.172 176.094 0.208 0.000 1.201 331 V CA 0.707 63.219 62.300 0.353 0.000 1.166 331 V CB -1.298 30.736 31.823 0.353 0.000 0.825 331 V HN 0.297 nan 8.190 nan 0.000 0.484 332 Y N 1.580 122.037 120.300 0.263 0.000 2.756 332 Y HA 0.701 5.248 4.550 -0.005 0.000 0.300 332 Y C 1.591 177.537 175.900 0.076 0.000 1.113 332 Y CA 0.017 58.220 58.100 0.170 0.000 1.291 332 Y CB 0.679 39.230 38.460 0.152 0.000 1.175 332 Y HN 0.369 nan 8.280 nan 0.000 0.534 333 G N -1.085 107.820 108.800 0.175 0.000 3.272 333 G HA2 0.046 4.003 3.960 -0.005 0.000 0.219 333 G HA3 0.046 4.003 3.960 -0.005 0.000 0.219 333 G C 0.054 174.992 174.900 0.062 0.000 0.952 333 G CA -0.310 44.831 45.100 0.068 0.000 0.833 333 G HN 0.411 nan 8.290 nan 0.000 0.608 334 A N 1.282 124.191 122.820 0.150 0.000 2.366 334 A HA 0.722 5.039 4.320 -0.005 0.000 0.272 334 A C -2.247 175.568 177.584 0.384 0.000 1.135 334 A CA -1.041 51.146 52.037 0.250 0.000 0.804 334 A CB 0.235 19.383 19.000 0.247 0.000 1.064 334 A HN 0.065 nan 8.150 nan 0.000 0.499 335 P HA 0.293 nan 4.420 nan 0.000 0.267 335 P C 1.041 178.443 177.300 0.170 0.000 1.205 335 P CA 1.753 64.971 63.100 0.196 0.000 0.765 335 P CB 0.873 32.649 31.700 0.127 0.000 0.828 336 G N 1.640 110.485 108.800 0.076 0.000 2.179 336 G HA2 -0.264 3.693 3.960 -0.005 0.000 0.260 336 G HA3 -0.264 3.693 3.960 -0.005 0.000 0.260 336 G C -0.100 174.688 174.900 -0.187 0.000 0.977 336 G CA -0.514 44.542 45.100 -0.073 0.000 0.641 336 G HN 0.407 nan 8.290 nan 0.000 0.533 337 F N 1.475 121.447 119.950 0.037 0.000 2.408 337 F HA 0.687 5.211 4.527 -0.005 0.000 0.344 337 F C 0.661 176.545 175.800 0.139 0.000 1.112 337 F CA 0.165 58.191 58.000 0.044 0.000 1.096 337 F CB 2.116 41.204 39.000 0.147 0.000 1.129 337 F HN 0.127 nan 8.300 nan 0.000 0.486 338 S N 2.657 118.550 115.700 0.321 0.000 2.546 338 S HA 0.273 4.740 4.470 -0.005 0.000 0.274 338 S C 0.420 175.291 174.600 0.451 0.000 1.121 338 S CA -0.922 57.473 58.200 0.324 0.000 0.887 338 S CB 1.348 64.650 63.200 0.170 0.000 1.094 338 S HN 0.765 nan 8.310 nan 0.000 0.474 339 K N 1.589 122.161 120.400 0.288 0.000 2.442 339 K HA 0.060 4.377 4.320 -0.005 0.000 0.198 339 K C -0.112 176.539 176.600 0.085 0.000 1.042 339 K CA 1.216 57.607 56.287 0.173 0.000 0.958 339 K CB -0.097 32.309 32.500 -0.157 0.000 0.766 339 K HN 0.469 nan 8.250 nan 0.000 0.474 340 D N 0.936 121.380 120.400 0.072 0.000 2.368 340 D HA 0.056 4.693 4.640 -0.005 0.000 0.218 340 D C -0.456 175.888 176.300 0.072 0.000 1.112 340 D CA 0.078 54.091 54.000 0.022 0.000 0.834 340 D CB 0.192 40.974 40.800 -0.030 0.000 0.953 340 D HN 0.493 nan 8.370 nan 0.000 0.505 341 N N -0.707 118.081 118.700 0.145 0.000 3.364 341 N HA 0.002 4.739 4.740 -0.005 0.000 0.294 341 N C 0.040 175.632 175.510 0.137 0.000 1.562 341 N CA -0.635 52.476 53.050 0.103 0.000 0.862 341 N CB 0.048 38.550 38.487 0.025 0.000 1.691 341 N HN -0.283 nan 8.380 nan 0.000 0.572 342 N N -1.304 117.396 118.700 0.000 0.000 2.336 342 N HA 0.083 4.820 4.740 -0.005 0.000 0.189 342 N C -0.673 174.542 175.510 -0.493 0.000 1.113 342 N CA 0.419 53.410 53.050 -0.098 0.000 0.858 342 N CB -0.249 38.224 38.487 -0.024 0.000 0.970 342 N HN 0.534 nan 8.380 nan 0.000 0.471 343 S N -0.465 114.964 115.700 -0.451 0.000 3.561 343 S HA -0.131 4.336 4.470 -0.005 0.000 0.318 343 S C -0.079 174.129 174.600 -0.653 0.000 1.181 343 S CA 0.135 57.929 58.200 -0.677 0.000 0.916 343 S CB -1.553 60.945 63.200 -1.170 0.000 0.966 343 S HN 0.407 nan 8.310 nan 0.000 0.550 344 I N 2.544 122.880 120.570 -0.391 0.000 2.792 344 I HA 0.033 4.199 4.170 -0.005 0.000 0.284 344 I C 0.882 176.832 176.117 -0.279 0.000 1.166 344 I CA 0.577 61.712 61.300 -0.276 0.000 1.375 344 I CB -1.342 36.558 38.000 -0.166 0.000 1.421 344 I HN 0.407 nan 8.210 nan 0.000 0.544 345 I N 3.793 124.194 120.570 -0.282 0.000 3.076 345 I HA 0.722 4.889 4.170 -0.005 0.000 0.313 345 I C 0.662 176.722 176.117 -0.095 0.000 1.053 345 I CA -0.742 60.423 61.300 -0.226 0.000 1.048 345 I CB 1.707 39.531 38.000 -0.293 0.000 1.264 345 I HN 0.509 nan 8.210 nan 0.000 0.498 346 T N -1.296 113.189 114.554 -0.115 0.000 2.936 346 T HA 0.369 4.715 4.350 -0.005 0.000 0.282 346 T C 0.909 175.333 174.700 -0.461 0.000 1.003 346 T CA -0.628 61.356 62.100 -0.193 0.000 1.005 346 T CB 1.681 70.474 68.868 -0.126 0.000 1.097 346 T HN 0.852 nan 8.240 nan 0.000 0.532 347 R N 0.405 120.416 120.500 -0.815 0.000 2.119 347 R HA -0.197 4.140 4.340 -0.005 0.000 0.246 347 R C 2.069 178.209 176.300 -0.266 0.000 1.146 347 R CA 1.941 57.447 56.100 -0.991 0.000 0.962 347 R CB -0.332 29.680 30.300 -0.480 0.000 0.863 347 R HN 0.618 nan 8.270 nan 0.000 0.442 348 K N 0.751 121.072 120.400 -0.131 0.000 2.155 348 K HA -0.085 4.231 4.320 -0.005 0.000 0.203 348 K C 1.627 178.249 176.600 0.036 0.000 1.052 348 K CA 1.769 58.051 56.287 -0.009 0.000 0.948 348 K CB 0.089 32.587 32.500 -0.004 0.000 0.728 348 K HN 0.357 nan 8.250 nan 0.000 0.448 349 E N -0.706 119.504 120.200 0.017 0.000 2.072 349 E HA -0.161 4.186 4.350 -0.005 0.000 0.191 349 E C 1.732 178.437 176.600 0.175 0.000 0.985 349 E CA 1.150 57.595 56.400 0.075 0.000 0.801 349 E CB -0.297 29.419 29.700 0.027 0.000 0.750 349 E HN 0.288 nan 8.360 nan 0.000 0.452 350 F N 2.283 122.254 119.950 0.034 0.000 2.063 350 F HA -0.334 4.189 4.527 -0.006 0.000 0.298 350 F C 2.254 178.159 175.800 0.175 0.000 1.109 350 F CA 2.008 60.104 58.000 0.160 0.000 1.212 350 F CB -0.154 38.936 39.000 0.149 0.000 0.973 350 F HN -0.032 nan 8.300 nan 0.000 0.480 351 Q N -0.427 119.532 119.800 0.265 0.000 2.124 351 Q HA -0.206 4.131 4.340 -0.005 0.000 0.202 351 Q C 2.125 178.179 176.000 0.089 0.000 0.977 351 Q CA 1.555 57.458 55.803 0.167 0.000 0.850 351 Q CB -0.257 28.591 28.738 0.182 0.000 0.901 351 Q HN 0.422 nan 8.270 nan 0.000 0.429 352 E N -0.007 120.250 120.200 0.094 0.000 2.072 352 E HA -0.116 4.231 4.350 -0.005 0.000 0.191 352 E C 2.099 178.753 176.600 0.089 0.000 0.985 352 E CA 1.169 57.620 56.400 0.085 0.000 0.801 352 E CB -0.485 29.266 29.700 0.085 0.000 0.750 352 E HN 0.476 nan 8.360 nan 0.000 0.452 353 G N 1.369 110.233 108.800 0.106 0.000 2.469 353 G HA2 -0.241 3.715 3.960 -0.005 0.000 0.219 353 G HA3 -0.241 3.715 3.960 -0.005 0.000 0.219 353 G C 1.720 176.734 174.900 0.189 0.000 1.150 353 G CA 0.688 45.883 45.100 0.159 0.000 0.763 353 G HN 0.200 nan 8.290 nan 0.000 0.561 354 L N -0.340 120.929 121.223 0.077 0.000 2.093 354 L HA -0.001 4.336 4.340 -0.005 0.000 0.208 354 L C 2.849 179.888 176.870 0.282 0.000 1.085 354 L CA 1.175 56.145 54.840 0.217 0.000 0.755 354 L CB -0.353 41.735 42.059 0.049 0.000 0.904 354 L HN 0.200 nan 8.230 nan 0.000 0.435 355 K N 0.211 120.705 120.400 0.156 0.000 2.103 355 K HA -0.175 4.141 4.320 -0.005 0.000 0.207 355 K C 2.048 178.695 176.600 0.079 0.000 1.048 355 K CA 1.128 57.492 56.287 0.128 0.000 0.930 355 K CB 0.106 32.659 32.500 0.088 0.000 0.716 355 K HN 0.143 nan 8.250 nan 0.000 0.444 356 I N -0.037 120.542 120.570 0.014 0.000 2.252 356 I HA -0.204 3.962 4.170 -0.005 0.000 0.245 356 I C 1.731 177.653 176.117 -0.324 0.000 1.102 356 I CA 1.532 62.722 61.300 -0.183 0.000 1.385 356 I CB -0.753 37.052 38.000 -0.325 0.000 1.064 356 I HN 0.084 nan 8.210 nan 0.000 0.414 357 F N -0.595 119.338 119.950 -0.029 0.000 2.743 357 F HA 0.056 4.580 4.527 -0.005 0.000 0.297 357 F C 0.759 176.234 175.800 -0.541 0.000 1.131 357 F CA 0.395 58.228 58.000 -0.278 0.000 1.426 357 F CB -0.110 38.694 39.000 -0.327 0.000 1.116 357 F HN -0.145 nan 8.300 nan 0.000 0.583 358 F N -0.614 119.417 119.950 0.134 0.000 2.564 358 F HA 0.349 4.872 4.527 -0.006 0.000 0.329 358 F C -1.787 174.071 175.800 0.097 0.000 1.458 358 F CA -2.140 55.937 58.000 0.129 0.000 1.117 358 F CB 0.139 39.227 39.000 0.147 0.000 1.383 358 F HN -0.216 nan 8.300 nan 0.000 0.571 359 P HA -0.172 nan 4.420 nan 0.000 0.222 359 P C 0.569 177.941 177.300 0.121 0.000 1.157 359 P CA 2.004 65.165 63.100 0.103 0.000 0.905 359 P CB 0.241 31.973 31.700 0.053 0.000 0.792 360 G N -2.855 106.031 108.800 0.142 0.000 2.312 360 G HA2 0.306 4.262 3.960 -0.005 0.000 0.279 360 G HA3 0.306 4.262 3.960 -0.005 0.000 0.279 360 G C -1.089 173.879 174.900 0.115 0.000 2.698 360 G CA -0.529 44.648 45.100 0.129 0.000 0.764 360 G HN 0.000 nan 8.290 nan 0.000 0.465 361 V N 0.103 120.091 119.914 0.123 0.000 5.384 361 V HA -0.237 3.880 4.120 -0.005 0.000 0.326 361 V C 1.413 177.573 176.094 0.111 0.000 0.689 361 V CA 0.923 63.306 62.300 0.139 0.000 1.241 361 V CB -2.156 29.836 31.823 0.282 0.000 1.471 361 V HN 2.171 nan 8.190 nan 0.000 0.451 362 S N 1.564 117.312 115.700 0.080 0.000 2.580 362 S HA 0.258 4.725 4.470 -0.005 0.000 0.266 362 S C 0.978 175.650 174.600 0.121 0.000 1.354 362 S CA 0.457 58.717 58.200 0.100 0.000 1.008 362 S CB 1.439 64.709 63.200 0.116 0.000 0.898 362 S HN 0.788 nan 8.310 nan 0.000 0.555 363 E N 0.563 120.842 120.200 0.132 0.000 2.110 363 E HA -0.081 4.266 4.350 -0.005 0.000 0.193 363 E C 1.439 178.139 176.600 0.167 0.000 0.988 363 E CA 1.495 57.976 56.400 0.135 0.000 0.804 363 E CB -0.444 29.331 29.700 0.125 0.000 0.745 363 E HN 0.761 nan 8.360 nan 0.000 0.458 364 F N -0.002 119.986 119.950 0.063 0.000 2.075 364 F HA -0.128 4.396 4.527 -0.006 0.000 0.297 364 F C 2.087 177.957 175.800 0.117 0.000 1.113 364 F CA 1.884 59.931 58.000 0.079 0.000 1.218 364 F CB -0.662 38.374 39.000 0.061 0.000 0.984 364 F HN 0.126 nan 8.300 nan 0.000 0.472 365 G N 0.606 109.403 108.800 -0.005 0.000 2.574 365 G HA2 -0.356 3.600 3.960 -0.005 0.000 0.220 365 G HA3 -0.356 3.600 3.960 -0.005 0.000 0.220 365 G C 1.664 176.568 174.900 0.005 0.000 1.173 365 G CA 1.389 46.437 45.100 -0.088 0.000 0.772 365 G HN 0.396 nan 8.290 nan 0.000 0.585 366 K N 0.145 120.565 120.400 0.034 0.000 2.155 366 K HA 0.019 4.336 4.320 -0.005 0.000 0.203 366 K C 2.392 179.024 176.600 0.053 0.000 1.052 366 K CA 0.971 57.277 56.287 0.033 0.000 0.948 366 K CB -0.101 32.440 32.500 0.068 0.000 0.728 366 K HN 0.378 nan 8.250 nan 0.000 0.448 367 E N 0.871 121.092 120.200 0.035 0.000 2.118 367 E HA -0.185 4.162 4.350 -0.005 0.000 0.195 367 E C 2.113 178.741 176.600 0.046 0.000 0.992 367 E CA 1.611 58.043 56.400 0.054 0.000 0.804 367 E CB 0.052 29.781 29.700 0.048 0.000 0.741 367 E HN 0.302 nan 8.360 nan 0.000 0.458 368 S N 0.308 115.981 115.700 -0.045 0.000 2.399 368 S HA -0.147 4.320 4.470 -0.005 0.000 0.231 368 S C 1.983 176.735 174.600 0.252 0.000 1.022 368 S CA 0.833 59.110 58.200 0.127 0.000 0.983 368 S CB -0.419 62.893 63.200 0.187 0.000 0.803 368 S HN 0.227 nan 8.310 nan 0.000 0.480 369 I N 1.001 121.680 120.570 0.182 0.000 2.202 369 I HA -0.093 4.074 4.170 -0.005 0.000 0.242 369 I C 2.556 178.770 176.117 0.162 0.000 1.091 369 I CA 1.179 62.511 61.300 0.054 0.000 1.368 369 I CB -0.464 37.519 38.000 -0.029 0.000 1.058 369 I HN 0.305 nan 8.210 nan 0.000 0.410 370 L N 0.487 121.848 121.223 0.230 0.000 2.042 370 L HA -0.256 4.081 4.340 -0.005 0.000 0.210 370 L C 2.423 179.336 176.870 0.072 0.000 1.076 370 L CA 1.786 56.803 54.840 0.296 0.000 0.749 370 L CB -0.565 41.678 42.059 0.308 0.000 0.893 370 L HN 0.157 nan 8.230 nan 0.000 0.432 371 F N -0.186 119.689 119.950 -0.124 0.000 2.102 371 F HA -0.261 4.262 4.527 -0.006 0.000 0.298 371 F C 2.282 177.797 175.800 -0.475 0.000 1.105 371 F CA 2.132 59.949 58.000 -0.305 0.000 1.239 371 F CB -0.315 38.477 39.000 -0.347 0.000 0.991 371 F HN 0.224 nan 8.300 nan 0.000 0.474 372 H N -2.586 116.316 119.070 -0.280 0.000 2.462 372 H HA -0.073 4.480 4.556 -0.005 0.000 0.292 372 H C 0.989 175.941 175.328 -0.628 0.000 1.049 372 H CA 1.932 57.630 56.048 -0.585 0.000 1.334 372 H CB -0.191 29.004 29.762 -0.945 0.000 1.404 372 H HN 0.354 nan 8.280 nan 0.000 0.544 373 Y N -0.398 119.708 120.300 -0.324 0.000 2.458 373 Y HA 0.082 4.629 4.550 -0.005 0.000 0.256 373 Y C 1.097 176.663 175.900 -0.557 0.000 1.159 373 Y CA 0.411 58.364 58.100 -0.246 0.000 1.261 373 Y CB 0.814 39.306 38.460 0.053 0.000 1.119 373 Y HN 0.136 nan 8.280 nan 0.000 0.524 374 T N -4.287 109.805 114.554 -0.770 0.000 3.296 374 T HA 0.135 4.482 4.350 -0.005 0.000 0.285 374 T C -0.244 173.409 174.700 -1.745 0.000 1.014 374 T CA -0.399 60.707 62.100 -1.658 0.000 0.920 374 T CB -0.221 68.033 68.868 -1.023 0.000 1.143 374 T HN -0.081 nan 8.240 nan 0.000 0.522 375 D N 1.960 121.665 120.400 -1.158 0.000 2.558 375 D HA 0.271 4.907 4.640 -0.005 0.000 0.221 375 D C -0.358 175.627 176.300 -0.525 0.000 1.143 375 D CA -0.673 52.839 54.000 -0.813 0.000 1.010 375 D CB -0.165 40.260 40.800 -0.626 0.000 1.068 375 D HN 0.501 nan 8.370 nan 0.000 0.511 376 W N 1.793 122.962 121.300 -0.218 0.000 2.150 376 W HA 0.260 4.916 4.660 -0.005 0.000 0.341 376 W C 0.728 177.168 176.519 -0.132 0.000 1.276 376 W CA -1.071 56.166 57.345 -0.181 0.000 1.238 376 W CB 0.740 30.083 29.460 -0.195 0.000 1.128 376 W HN 0.108 nan 8.180 nan 0.000 0.581 377 V N 0.057 120.081 119.914 0.182 0.000 2.462 377 V HA 0.407 4.524 4.120 -0.005 0.000 0.257 377 V C -1.283 174.841 176.094 0.050 0.000 0.944 377 V CA -0.418 61.928 62.300 0.077 0.000 0.903 377 V CB 0.063 31.908 31.823 0.036 0.000 1.128 377 V HN 0.621 nan 8.190 nan 0.000 0.486 378 D N 1.572 121.993 120.400 0.034 0.000 2.732 378 D HA 0.392 5.028 4.640 -0.005 0.000 0.292 378 D C 0.642 176.955 176.300 0.022 0.000 1.135 378 D CA 0.086 54.129 54.000 0.072 0.000 1.071 378 D CB 2.019 42.845 40.800 0.043 0.000 1.457 378 D HN 0.446 nan 8.370 nan 0.000 0.547 379 D N 0.234 120.687 120.400 0.089 0.000 2.417 379 D HA -0.170 4.467 4.640 -0.005 0.000 0.240 379 D C 0.770 176.997 176.300 -0.123 0.000 1.062 379 D CA 0.951 54.967 54.000 0.027 0.000 0.959 379 D CB 0.132 41.037 40.800 0.175 0.000 0.877 379 D HN 0.310 nan 8.370 nan 0.000 0.528 380 Q N 0.345 120.071 119.800 -0.124 0.000 2.084 380 Q HA 0.039 4.376 4.340 -0.005 0.000 0.194 380 Q C 0.688 176.597 176.000 -0.153 0.000 0.969 380 Q CA 0.190 55.930 55.803 -0.106 0.000 0.829 380 Q CB -0.031 28.669 28.738 -0.064 0.000 0.904 380 Q HN 0.341 nan 8.270 nan 0.000 0.464 381 R N 3.021 123.409 120.500 -0.187 0.000 2.486 381 R HA -0.070 4.267 4.340 -0.005 0.000 0.304 381 R C -1.683 174.471 176.300 -0.245 0.000 0.913 381 R CA -0.242 55.738 56.100 -0.201 0.000 1.124 381 R CB -0.322 29.845 30.300 -0.222 0.000 0.891 381 R HN 0.215 nan 8.270 nan 0.000 0.410 382 P HA -0.134 nan 4.420 nan 0.000 0.223 382 P C 0.516 177.722 177.300 -0.156 0.000 1.151 382 P CA 1.152 64.167 63.100 -0.142 0.000 0.787 382 P CB 0.234 31.878 31.700 -0.093 0.000 0.788 383 E N -1.017 119.084 120.200 -0.165 0.000 2.437 383 E HA 0.026 4.373 4.350 -0.005 0.000 0.189 383 E C 0.904 177.389 176.600 -0.191 0.000 1.054 383 E CA -0.105 56.212 56.400 -0.137 0.000 0.874 383 E CB -0.819 28.838 29.700 -0.072 0.000 1.011 383 E HN 0.072 nan 8.360 nan 0.000 0.474 384 N N 1.310 119.761 118.700 -0.416 0.000 2.018 384 N HA -0.186 4.551 4.740 -0.005 0.000 0.196 384 N C 1.275 176.437 175.510 -0.580 0.000 1.043 384 N CA 1.443 53.994 53.050 -0.832 0.000 0.856 384 N CB -0.565 36.828 38.487 -1.823 0.000 1.042 384 N HN 0.283 nan 8.380 nan 0.000 0.423 385 Y N 0.908 121.017 120.300 -0.318 0.000 2.314 385 Y HA 0.049 4.596 4.550 -0.005 0.000 0.293 385 Y C 2.540 178.580 175.900 0.234 0.000 1.129 385 Y CA 0.777 58.868 58.100 -0.014 0.000 1.201 385 Y CB -0.179 38.292 38.460 0.019 0.000 0.999 385 Y HN 0.054 nan 8.280 nan 0.000 0.541 386 R N 0.868 121.509 120.500 0.235 0.000 2.081 386 R HA -0.156 4.180 4.340 -0.005 0.000 0.235 386 R C 1.707 178.216 176.300 0.349 0.000 1.131 386 R CA 1.822 58.063 56.100 0.237 0.000 0.960 386 R CB -0.086 30.166 30.300 -0.080 0.000 0.856 386 R HN 0.404 nan 8.270 nan 0.000 0.436 387 E N 0.087 120.430 120.200 0.238 0.000 2.107 387 E HA -0.120 4.227 4.350 -0.005 0.000 0.191 387 E C 1.969 178.772 176.600 0.338 0.000 0.982 387 E CA 0.947 57.508 56.400 0.268 0.000 0.809 387 E CB -0.078 29.731 29.700 0.181 0.000 0.756 387 E HN 0.440 nan 8.360 nan 0.000 0.459 388 A N 1.658 124.715 122.820 0.396 0.000 1.933 388 A HA -0.150 4.167 4.320 -0.005 0.000 0.218 388 A C 2.206 180.115 177.584 0.542 0.000 1.175 388 A CA 0.941 53.289 52.037 0.519 0.000 0.628 388 A CB -0.468 18.857 19.000 0.542 0.000 0.814 388 A HN 0.183 nan 8.150 nan 0.000 0.444 389 L N -0.010 121.601 121.223 0.647 0.000 2.093 389 L HA 0.026 4.362 4.340 -0.005 0.000 0.208 389 L C 2.420 179.354 176.870 0.107 0.000 1.085 389 L CA 2.020 57.079 54.840 0.366 0.000 0.755 389 L CB -0.980 41.299 42.059 0.368 0.000 0.904 389 L HN 0.314 nan 8.230 nan 0.000 0.435 390 G N -1.076 107.840 108.800 0.193 0.000 2.446 390 G HA2 -0.276 3.681 3.960 -0.005 0.000 0.217 390 G HA3 -0.276 3.681 3.960 -0.005 0.000 0.217 390 G C 1.318 176.287 174.900 0.114 0.000 1.168 390 G CA 0.890 46.074 45.100 0.140 0.000 0.771 390 G HN 0.397 nan 8.290 nan 0.000 0.551 391 D N 0.211 120.722 120.400 0.186 0.000 2.117 391 D HA -0.090 4.546 4.640 -0.005 0.000 0.197 391 D C 2.824 179.161 176.300 0.063 0.000 0.987 391 D CA 0.838 54.970 54.000 0.220 0.000 0.829 391 D CB -0.468 40.566 40.800 0.391 0.000 0.961 391 D HN 0.165 nan 8.370 nan 0.000 0.460 392 V N 1.092 120.885 119.914 -0.201 0.000 2.250 392 V HA -0.260 3.857 4.120 -0.005 0.000 0.250 392 V C 2.719 178.703 176.094 -0.183 0.000 1.060 392 V CA 1.401 63.497 62.300 -0.340 0.000 1.030 392 V CB -0.583 31.084 31.823 -0.260 0.000 0.643 392 V HN 0.058 nan 8.190 nan 0.000 0.445 393 V N 0.470 120.261 119.914 -0.206 0.000 2.358 393 V HA -0.121 3.995 4.120 -0.005 0.000 0.246 393 V C 2.561 178.558 176.094 -0.161 0.000 1.047 393 V CA 2.063 64.173 62.300 -0.316 0.000 1.035 393 V CB -1.251 30.216 31.823 -0.593 0.000 0.658 393 V HN 0.624 nan 8.190 nan 0.000 0.452 394 G N -0.421 108.377 108.800 -0.003 0.000 2.394 394 G HA2 -0.199 3.758 3.960 -0.005 0.000 0.215 394 G HA3 -0.199 3.758 3.960 -0.005 0.000 0.215 394 G C 1.213 176.181 174.900 0.112 0.000 1.165 394 G CA 0.875 46.076 45.100 0.168 0.000 0.784 394 G HN 0.492 nan 8.290 nan 0.000 0.535 395 D N -0.524 119.898 120.400 0.036 0.000 2.097 395 D HA -0.099 4.538 4.640 -0.005 0.000 0.197 395 D C 1.955 178.041 176.300 -0.357 0.000 0.984 395 D CA 0.716 54.718 54.000 0.004 0.000 0.826 395 D CB -0.384 40.584 40.800 0.281 0.000 0.973 395 D HN 0.319 nan 8.370 nan 0.000 0.460 396 Y N 1.874 121.587 120.300 -0.978 0.000 2.145 396 Y HA -0.118 4.428 4.550 -0.006 0.000 0.286 396 Y C 1.815 177.340 175.900 -0.625 0.000 1.145 396 Y CA 1.476 58.843 58.100 -1.222 0.000 1.148 396 Y CB -0.304 37.272 38.460 -1.474 0.000 0.981 396 Y HN -0.089 nan 8.280 nan 0.000 0.507 397 N N -1.210 117.116 118.700 -0.624 0.000 2.333 397 N HA -0.058 4.678 4.740 -0.005 0.000 0.178 397 N C 1.163 176.173 175.510 -0.834 0.000 1.018 397 N CA 1.514 54.055 53.050 -0.848 0.000 0.882 397 N CB -0.079 37.794 38.487 -1.024 0.000 0.984 397 N HN 0.390 nan 8.380 nan 0.000 0.434 398 F N -0.164 119.738 119.950 -0.080 0.000 2.495 398 F HA 0.346 4.870 4.527 -0.006 0.000 0.272 398 F C 2.084 177.893 175.800 0.016 0.000 0.919 398 F CA -0.377 57.638 58.000 0.024 0.000 1.178 398 F CB -0.020 39.035 39.000 0.091 0.000 1.030 398 F HN -0.200 nan 8.300 nan 0.000 0.777 399 I N -0.070 120.642 120.570 0.237 0.000 2.162 399 I HA -0.261 3.906 4.170 -0.005 0.000 0.238 399 I C 2.128 178.321 176.117 0.126 0.000 1.076 399 I CA 1.238 62.667 61.300 0.214 0.000 1.353 399 I CB -0.545 37.596 38.000 0.235 0.000 1.063 399 I HN 0.267 nan 8.210 nan 0.000 0.408 400 c N 1.027 119.675 118.600 0.080 0.000 2.429 400 c HA -0.059 4.507 4.570 -0.005 0.000 0.277 400 c C 0.233 174.337 174.090 0.024 0.000 1.262 400 c CA 0.775 57.153 56.329 0.081 0.000 1.733 400 c CB -1.972 40.635 42.510 0.161 0.000 2.010 400 c HN 0.369 nan 8.230 nan 0.000 0.483 401 P HA -0.047 nan 4.420 nan 0.000 0.217 401 P C 1.583 178.854 177.300 -0.049 0.000 1.150 401 P CA 2.257 65.291 63.100 -0.110 0.000 0.832 401 P CB -0.166 31.372 31.700 -0.268 0.000 0.787 402 A N -0.760 122.073 122.820 0.021 0.000 1.930 402 A HA -0.120 4.197 4.320 -0.005 0.000 0.217 402 A C 2.187 179.879 177.584 0.180 0.000 1.175 402 A CA 1.234 53.333 52.037 0.103 0.000 0.627 402 A CB -1.585 17.524 19.000 0.181 0.000 0.815 402 A HN 0.103 nan 8.150 nan 0.000 0.443 403 L N -0.979 120.281 121.223 0.062 0.000 2.056 403 L HA -0.168 4.168 4.340 -0.005 0.000 0.207 403 L C 2.642 179.491 176.870 -0.035 0.000 1.078 403 L CA 1.688 56.431 54.840 -0.162 0.000 0.749 403 L CB -0.340 41.589 42.059 -0.217 0.000 0.901 403 L HN 0.424 nan 8.230 nan 0.000 0.433 404 E N 0.064 120.280 120.200 0.027 0.000 2.106 404 E HA -0.251 4.096 4.350 -0.005 0.000 0.192 404 E C 1.943 178.576 176.600 0.055 0.000 0.984 404 E CA 1.158 57.588 56.400 0.049 0.000 0.806 404 E CB -0.254 29.471 29.700 0.042 0.000 0.750 404 E HN 0.348 nan 8.360 nan 0.000 0.458 405 F N 0.686 120.574 119.950 -0.104 0.000 2.095 405 F HA -0.210 4.315 4.527 -0.004 0.000 0.298 405 F C 2.094 177.875 175.800 -0.031 0.000 1.104 405 F CA 2.129 60.056 58.000 -0.122 0.000 1.232 405 F CB -0.710 38.153 39.000 -0.229 0.000 0.987 405 F HN -0.002 nan 8.300 nan 0.000 0.475 406 T N 0.711 115.318 114.554 0.088 0.000 2.746 406 T HA -0.206 4.141 4.350 -0.005 0.000 0.267 406 T C 1.878 176.579 174.700 0.002 0.000 1.039 406 T CA 1.843 63.908 62.100 -0.059 0.000 1.142 406 T CB -0.293 68.413 68.868 -0.270 0.000 0.866 406 T HN 0.272 nan 8.240 nan 0.000 0.444 407 K N 0.860 121.327 120.400 0.111 0.000 2.002 407 K HA -0.049 4.268 4.320 -0.005 0.000 0.209 407 K C 2.507 179.204 176.600 0.162 0.000 1.048 407 K CA 0.947 57.401 56.287 0.279 0.000 0.930 407 K CB -0.049 32.582 32.500 0.219 0.000 0.714 407 K HN 0.112 nan 8.250 nan 0.000 0.438 408 K N 0.380 120.827 120.400 0.079 0.000 2.097 408 K HA -0.118 4.199 4.320 -0.005 0.000 0.205 408 K C 2.025 178.718 176.600 0.155 0.000 1.050 408 K CA 1.105 57.458 56.287 0.110 0.000 0.938 408 K CB -0.344 32.201 32.500 0.076 0.000 0.718 408 K HN 0.137 nan 8.250 nan 0.000 0.442 409 F N 2.253 122.056 119.950 -0.244 0.000 2.146 409 F HA -0.216 4.308 4.527 -0.005 0.000 0.298 409 F C 2.462 178.331 175.800 0.116 0.000 1.096 409 F CA 1.745 59.562 58.000 -0.305 0.000 1.275 409 F CB -0.154 38.377 39.000 -0.782 0.000 1.008 409 F HN 0.053 nan 8.300 nan 0.000 0.480 410 S N -0.810 115.068 115.700 0.296 0.000 2.481 410 S HA -0.128 4.338 4.470 -0.005 0.000 0.231 410 S C 1.589 176.286 174.600 0.162 0.000 0.996 410 S CA 0.975 59.337 58.200 0.271 0.000 0.942 410 S CB -0.639 62.740 63.200 0.297 0.000 0.768 410 S HN 0.576 nan 8.310 nan 0.000 0.520 411 E N -0.150 120.130 120.200 0.133 0.000 2.418 411 E HA -0.028 4.319 4.350 -0.005 0.000 0.197 411 E C 0.229 176.677 176.600 -0.254 0.000 1.026 411 E CA 0.671 57.034 56.400 -0.061 0.000 0.862 411 E CB -0.102 29.526 29.700 -0.120 0.000 0.799 411 E HN 0.791 nan 8.360 nan 0.000 0.518 412 W N -0.204 121.094 121.300 -0.004 0.000 3.330 412 W HA 0.277 4.937 4.660 0.001 0.000 0.348 412 W C 1.211 177.693 176.519 -0.061 0.000 1.205 412 W CA 0.473 57.781 57.345 -0.062 0.000 1.841 412 W CB 0.804 30.180 29.460 -0.141 0.000 1.084 412 W HN 0.098 nan 8.180 nan 0.000 0.665 413 G N -0.006 108.851 108.800 0.095 0.000 2.211 413 G HA2 -0.250 3.707 3.960 -0.005 0.000 0.201 413 G HA3 -0.250 3.707 3.960 -0.005 0.000 0.201 413 G C -0.022 174.934 174.900 0.094 0.000 0.997 413 G CA -0.620 44.521 45.100 0.069 0.000 0.652 413 G HN 0.272 nan 8.290 nan 0.000 0.500 414 N N 0.947 119.732 118.700 0.141 0.000 2.443 414 N HA 0.510 5.247 4.740 -0.005 0.000 0.295 414 N C -0.265 175.349 175.510 0.173 0.000 1.076 414 N CA -0.763 52.400 53.050 0.188 0.000 0.919 414 N CB 0.515 39.186 38.487 0.306 0.000 1.176 414 N HN 0.121 nan 8.380 nan 0.000 0.487 415 N N 1.027 119.802 118.700 0.125 0.000 2.458 415 N HA 0.274 5.010 4.740 -0.005 0.000 0.258 415 N C -0.995 174.495 175.510 -0.035 0.000 1.219 415 N CA 0.224 53.263 53.050 -0.018 0.000 0.902 415 N CB 0.631 39.134 38.487 0.027 0.000 1.076 415 N HN 0.556 nan 8.380 nan 0.000 0.455 416 A N 1.922 124.566 122.820 -0.292 0.000 2.486 416 A HA 0.744 5.061 4.320 -0.005 0.000 0.300 416 A C -1.491 175.801 177.584 -0.486 0.000 1.048 416 A CA -0.641 51.299 52.037 -0.162 0.000 0.696 416 A CB 0.832 19.878 19.000 0.076 0.000 1.278 416 A HN 0.452 nan 8.150 nan 0.000 0.405 417 F N 0.819 120.719 119.950 -0.084 0.000 2.529 417 F HA 0.657 5.182 4.527 -0.004 0.000 0.320 417 F C -0.616 175.246 175.800 0.103 0.000 1.118 417 F CA -0.543 57.349 58.000 -0.179 0.000 0.915 417 F CB 2.016 40.417 39.000 -1.000 0.000 1.161 417 F HN 0.532 nan 8.300 nan 0.000 0.445 418 F N 4.437 124.747 119.950 0.600 0.000 2.482 418 F HA 0.583 5.107 4.527 -0.005 0.000 0.331 418 F C -0.963 175.333 175.800 0.827 0.000 1.115 418 F CA -1.282 57.000 58.000 0.470 0.000 0.955 418 F CB 1.033 40.097 39.000 0.107 0.000 1.136 418 F HN 0.439 nan 8.300 nan 0.000 0.452 419 Y N 3.836 124.320 120.300 0.306 0.000 2.549 419 Y HA 0.641 5.188 4.550 -0.006 0.000 0.339 419 Y C -2.033 174.116 175.900 0.415 0.000 1.053 419 Y CA -1.784 56.540 58.100 0.374 0.000 1.105 419 Y CB 0.935 39.556 38.460 0.268 0.000 1.258 419 Y HN 0.559 nan 8.280 nan 0.000 0.478 420 Y N 4.074 124.689 120.300 0.526 0.000 2.376 420 Y HA 0.395 4.943 4.550 -0.005 0.000 0.326 420 Y C -1.710 174.466 175.900 0.460 0.000 0.970 420 Y CA -2.544 55.812 58.100 0.428 0.000 1.248 420 Y CB 0.640 39.379 38.460 0.465 0.000 1.117 420 Y HN 0.743 nan 8.280 nan 0.000 0.476 421 F N 6.807 126.846 119.950 0.149 0.000 2.421 421 F HA 0.286 4.810 4.527 -0.006 0.000 0.358 421 F C 0.427 176.101 175.800 -0.211 0.000 1.115 421 F CA -0.079 57.942 58.000 0.035 0.000 1.160 421 F CB 0.646 39.735 39.000 0.150 0.000 1.123 421 F HN 0.652 nan 8.300 nan 0.000 0.508 422 E N 3.374 123.217 120.200 -0.595 0.000 2.789 422 E HA 0.078 4.425 4.350 -0.005 0.000 0.208 422 E C -0.836 175.480 176.600 -0.473 0.000 0.988 422 E CA -0.449 55.683 56.400 -0.446 0.000 1.092 422 E CB -0.048 29.513 29.700 -0.232 0.000 1.066 422 E HN 0.599 nan 8.360 nan 0.000 0.465 423 H N 1.761 120.215 119.070 -1.026 0.000 2.519 423 H HA 0.307 4.859 4.556 -0.006 0.000 0.316 423 H C -0.633 174.467 175.328 -0.380 0.000 1.065 423 H CA -0.788 54.832 56.048 -0.713 0.000 1.264 423 H CB 0.938 30.165 29.762 -0.892 0.000 1.413 423 H HN 0.036 nan 8.280 nan 0.000 0.465 424 R N 4.330 124.364 120.500 -0.777 0.000 2.216 424 R HA 0.223 4.560 4.340 -0.005 0.000 0.332 424 R C -0.318 175.639 176.300 -0.573 0.000 1.056 424 R CA -0.357 55.449 56.100 -0.490 0.000 0.901 424 R CB 0.449 30.585 30.300 -0.274 0.000 1.039 424 R HN 0.668 nan 8.270 nan 0.000 0.456 425 S N 2.190 117.829 115.700 -0.102 0.000 2.573 425 S HA -0.083 4.383 4.470 -0.005 0.000 0.297 425 S C 1.351 176.016 174.600 0.108 0.000 1.280 425 S CA 0.326 58.669 58.200 0.240 0.000 1.061 425 S CB 0.553 64.002 63.200 0.415 0.000 0.812 425 S HN 0.817 nan 8.310 nan 0.000 0.500 426 S N 3.852 119.680 115.700 0.213 0.000 2.481 426 S HA 0.029 4.495 4.470 -0.005 0.000 0.231 426 S C 0.976 175.586 174.600 0.017 0.000 0.996 426 S CA 0.548 58.807 58.200 0.098 0.000 0.942 426 S CB -0.204 63.074 63.200 0.131 0.000 0.768 426 S HN 0.799 nan 8.310 nan 0.000 0.520 427 K N 0.826 121.224 120.400 -0.004 0.000 2.397 427 K HA 0.340 4.657 4.320 -0.005 0.000 0.202 427 K C -0.080 176.497 176.600 -0.038 0.000 1.022 427 K CA -0.333 55.903 56.287 -0.085 0.000 1.141 427 K CB 0.187 32.541 32.500 -0.244 0.000 0.857 427 K HN 0.302 nan 8.250 nan 0.000 0.514 428 L N 3.869 125.085 121.223 -0.013 0.000 2.513 428 L HA 0.041 4.378 4.340 -0.005 0.000 0.272 428 L C -1.370 175.468 176.870 -0.053 0.000 1.187 428 L CA -0.546 54.264 54.840 -0.051 0.000 0.895 428 L CB 0.796 42.794 42.059 -0.102 0.000 1.147 428 L HN 0.047 nan 8.230 nan 0.000 0.483 429 P HA -0.046 nan 4.420 nan 0.000 0.236 429 P C -0.260 177.012 177.300 -0.047 0.000 1.177 429 P CA 0.474 63.497 63.100 -0.128 0.000 0.773 429 P CB 0.179 31.659 31.700 -0.367 0.000 0.878 430 W N 2.465 123.741 121.300 -0.040 0.000 2.215 430 W HA 0.316 4.973 4.660 -0.005 0.000 0.342 430 W C -1.622 174.790 176.519 -0.177 0.000 1.237 430 W CA -2.040 55.264 57.345 -0.069 0.000 1.283 430 W CB -0.527 28.812 29.460 -0.203 0.000 1.131 430 W HN -0.154 nan 8.180 nan 0.000 0.606 431 P HA -0.012 nan 4.420 nan 0.000 0.273 431 P C 0.401 177.613 177.300 -0.147 0.000 1.250 431 P CA 0.133 63.189 63.100 -0.074 0.000 0.793 431 P CB 0.912 32.581 31.700 -0.052 0.000 1.011 432 E N 0.653 120.835 120.200 -0.030 0.000 2.118 432 E HA -0.152 4.194 4.350 -0.005 0.000 0.195 432 E C 1.782 178.401 176.600 0.031 0.000 0.992 432 E CA 1.489 57.890 56.400 0.002 0.000 0.804 432 E CB -0.310 29.427 29.700 0.061 0.000 0.741 432 E HN 0.702 nan 8.360 nan 0.000 0.458 433 W N -0.384 120.951 121.300 0.058 0.000 2.611 433 W HA -0.006 4.651 4.660 -0.006 0.000 0.251 433 W C 1.349 177.915 176.519 0.078 0.000 1.265 433 W CA 0.180 57.567 57.345 0.069 0.000 1.295 433 W CB -0.570 28.940 29.460 0.083 0.000 1.129 433 W HN -0.035 nan 8.180 nan 0.000 0.630 434 M N 1.080 120.394 119.600 -0.477 0.000 2.541 434 M HA 0.185 4.662 4.480 -0.005 0.000 0.252 434 M C 1.688 177.857 176.300 -0.219 0.000 1.125 434 M CA 1.340 56.302 55.300 -0.564 0.000 1.091 434 M CB -0.154 31.909 32.600 -0.894 0.000 1.420 434 M HN 0.153 nan 8.290 nan 0.000 0.486 435 G N 0.431 109.155 108.800 -0.127 0.000 2.550 435 G HA2 -0.280 3.677 3.960 -0.005 0.000 0.277 435 G HA3 -0.280 3.677 3.960 -0.005 0.000 0.277 435 G C -0.219 174.628 174.900 -0.089 0.000 1.190 435 G CA -0.248 44.816 45.100 -0.060 0.000 0.971 435 G HN 0.170 nan 8.290 nan 0.000 0.559 436 V N 1.910 121.795 119.914 -0.047 0.000 2.258 436 V HA 0.469 4.586 4.120 -0.005 0.000 0.258 436 V C 0.987 177.106 176.094 0.043 0.000 1.121 436 V CA 0.291 62.587 62.300 -0.006 0.000 0.942 436 V CB 0.347 32.159 31.823 -0.018 0.000 1.170 436 V HN 0.518 nan 8.190 nan 0.000 0.487 437 M N 2.073 121.689 119.600 0.026 0.000 2.247 437 M HA 0.340 4.817 4.480 -0.005 0.000 0.326 437 M C 0.544 176.912 176.300 0.114 0.000 1.134 437 M CA -0.557 54.747 55.300 0.007 0.000 1.136 437 M CB 0.422 32.943 32.600 -0.132 0.000 1.454 437 M HN 0.627 nan 8.290 nan 0.000 0.467 438 H N 0.293 119.285 119.070 -0.129 0.000 3.140 438 H HA 0.153 4.706 4.556 -0.006 0.000 0.316 438 H C 0.996 176.205 175.328 -0.199 0.000 0.986 438 H CA 2.088 57.986 56.048 -0.250 0.000 1.397 438 H CB 0.205 29.707 29.762 -0.434 0.000 1.377 438 H HN 0.735 nan 8.280 nan 0.000 0.585 439 G N 3.291 111.747 108.800 -0.574 0.000 2.213 439 G HA2 -0.303 3.654 3.960 -0.005 0.000 0.236 439 G HA3 -0.303 3.654 3.960 -0.005 0.000 0.236 439 G C 0.470 175.177 174.900 -0.321 0.000 0.991 439 G CA 0.354 45.097 45.100 -0.595 0.000 0.629 439 G HN 0.643 nan 8.290 nan 0.000 0.517 440 Y N 1.383 121.691 120.300 0.014 0.000 2.571 440 Y HA 0.298 4.845 4.550 -0.006 0.000 0.275 440 Y C 2.130 178.063 175.900 0.055 0.000 1.179 440 Y CA 0.650 58.840 58.100 0.149 0.000 1.242 440 Y CB 0.544 39.123 38.460 0.198 0.000 1.126 440 Y HN 0.451 nan 8.280 nan 0.000 0.524 441 E N 0.085 120.157 120.200 -0.212 0.000 2.415 441 E HA -0.031 4.316 4.350 -0.005 0.000 0.197 441 E C 1.493 177.975 176.600 -0.197 0.000 1.007 441 E CA 0.596 56.577 56.400 -0.698 0.000 0.890 441 E CB -0.258 28.683 29.700 -1.265 0.000 0.891 441 E HN 0.549 nan 8.360 nan 0.000 0.496 442 I N 2.765 123.313 120.570 -0.036 0.000 2.179 442 I HA -0.284 3.883 4.170 -0.005 0.000 0.242 442 I C 2.709 178.874 176.117 0.080 0.000 1.088 442 I CA 1.988 63.333 61.300 0.075 0.000 1.357 442 I CB -0.460 37.648 38.000 0.180 0.000 1.051 442 I HN 0.202 nan 8.210 nan 0.000 0.409 443 E N 1.145 121.360 120.200 0.026 0.000 2.209 443 E HA -0.247 4.100 4.350 -0.005 0.000 0.196 443 E C 2.045 178.492 176.600 -0.254 0.000 0.993 443 E CA 1.529 57.862 56.400 -0.111 0.000 0.819 443 E CB -0.537 29.103 29.700 -0.101 0.000 0.745 443 E HN 0.423 nan 8.360 nan 0.000 0.477 444 F N 1.279 121.129 119.950 -0.166 0.000 2.206 444 F HA -0.066 4.458 4.527 -0.005 0.000 0.298 444 F C 2.461 178.063 175.800 -0.329 0.000 1.090 444 F CA 0.721 58.583 58.000 -0.230 0.000 1.323 444 F CB -0.353 38.580 39.000 -0.112 0.000 1.028 444 F HN -0.132 nan 8.300 nan 0.000 0.492 445 V N -0.954 118.820 119.914 -0.233 0.000 2.343 445 V HA -0.290 3.827 4.120 -0.005 0.000 0.247 445 V C 1.886 177.749 176.094 -0.386 0.000 1.051 445 V CA 1.709 63.713 62.300 -0.493 0.000 1.036 445 V CB -0.685 30.836 31.823 -0.504 0.000 0.654 445 V HN 0.213 nan 8.190 nan 0.000 0.451 446 F N 0.260 120.057 119.950 -0.255 0.000 2.789 446 F HA 0.375 4.899 4.527 -0.005 0.000 0.300 446 F C 1.825 177.514 175.800 -0.185 0.000 1.132 446 F CA 0.832 58.717 58.000 -0.192 0.000 1.404 446 F CB 0.012 38.871 39.000 -0.235 0.000 1.114 446 F HN 0.281 nan 8.300 nan 0.000 0.584 447 G N 0.216 108.908 108.800 -0.179 0.000 2.132 447 G HA2 -0.260 3.697 3.960 -0.005 0.000 0.228 447 G HA3 -0.260 3.697 3.960 -0.005 0.000 0.228 447 G C 1.098 175.625 174.900 -0.622 0.000 1.000 447 G CA 0.317 45.240 45.100 -0.295 0.000 0.693 447 G HN 0.339 nan 8.290 nan 0.000 0.515 448 L N -0.456 120.357 121.223 -0.683 0.000 2.079 448 L HA -0.060 4.277 4.340 -0.005 0.000 0.210 448 L C -0.068 176.346 176.870 -0.759 0.000 1.081 448 L CA 1.957 56.305 54.840 -0.820 0.000 0.752 448 L CB -1.376 40.393 42.059 -0.484 0.000 0.896 448 L HN 0.179 nan 8.230 nan 0.000 0.433 449 P HA -0.081 nan 4.420 nan 0.000 0.239 449 P C 1.700 178.713 177.300 -0.479 0.000 1.184 449 P CA 0.936 63.417 63.100 -1.032 0.000 0.760 449 P CB 0.085 31.032 31.700 -1.256 0.000 0.884 450 L N -1.133 119.836 121.223 -0.423 0.000 2.418 450 L HA 0.020 4.356 4.340 -0.005 0.000 0.218 450 L C 1.132 177.832 176.870 -0.285 0.000 1.125 450 L CA 0.364 55.008 54.840 -0.327 0.000 0.835 450 L CB -0.444 41.461 42.059 -0.256 0.000 0.953 450 L HN -0.037 nan 8.230 nan 0.000 0.454 451 E N 0.835 120.964 120.200 -0.118 0.000 2.070 451 E HA 0.049 4.396 4.350 -0.005 0.000 0.282 451 E C 0.997 177.623 176.600 0.043 0.000 1.104 451 E CA 0.003 56.470 56.400 0.112 0.000 0.876 451 E CB 0.597 30.380 29.700 0.139 0.000 1.055 451 E HN 0.088 nan 8.360 nan 0.000 0.401 452 R N 3.541 124.052 120.500 0.018 0.000 2.148 452 R HA -0.040 4.297 4.340 -0.005 0.000 0.227 452 R C 1.383 177.706 176.300 0.038 0.000 1.103 452 R CA 0.803 56.909 56.100 0.009 0.000 0.983 452 R CB -0.022 30.266 30.300 -0.019 0.000 0.874 452 R HN 0.442 nan 8.270 nan 0.000 0.451 453 R N 0.853 121.391 120.500 0.063 0.000 2.293 453 R HA -0.099 4.237 4.340 -0.005 0.000 0.219 453 R C 0.462 176.780 176.300 0.029 0.000 1.091 453 R CA 1.006 57.134 56.100 0.047 0.000 1.004 453 R CB -0.332 30.006 30.300 0.064 0.000 0.865 453 R HN 0.248 nan 8.270 nan 0.000 0.469 454 D N 0.174 120.604 120.400 0.049 0.000 2.339 454 D HA 0.002 4.639 4.640 -0.005 0.000 0.217 454 D C 0.171 176.422 176.300 -0.080 0.000 1.050 454 D CA 0.071 54.082 54.000 0.018 0.000 0.856 454 D CB 0.321 41.191 40.800 0.117 0.000 0.922 454 D HN -0.066 nan 8.370 nan 0.000 0.518 455 Q N -2.178 117.596 119.800 -0.044 0.000 2.342 455 Q HA -0.234 4.103 4.340 -0.005 0.000 0.196 455 Q C -0.800 175.132 176.000 -0.114 0.000 0.629 455 Q CA 0.570 56.318 55.803 -0.091 0.000 1.365 455 Q CB -2.141 26.509 28.738 -0.147 0.000 1.406 455 Q HN 0.485 nan 8.270 nan 0.000 0.840 456 Y N 0.757 121.033 120.300 -0.039 0.000 2.379 456 Y HA 0.233 4.780 4.550 -0.005 0.000 0.337 456 Y C 1.722 177.618 175.900 -0.007 0.000 1.238 456 Y CA 0.494 58.581 58.100 -0.021 0.000 1.405 456 Y CB 0.572 38.985 38.460 -0.078 0.000 1.310 456 Y HN 0.144 nan 8.280 nan 0.000 0.569 457 T N -1.216 113.454 114.554 0.193 0.000 2.726 457 T HA 0.073 4.420 4.350 -0.005 0.000 0.294 457 T C 1.145 175.888 174.700 0.072 0.000 1.013 457 T CA -0.565 61.599 62.100 0.107 0.000 0.996 457 T CB 0.856 69.787 68.868 0.105 0.000 1.016 457 T HN 0.731 nan 8.240 nan 0.000 0.529 458 K N 0.552 120.972 120.400 0.032 0.000 2.097 458 K HA 0.109 4.426 4.320 -0.005 0.000 0.205 458 K C 2.400 178.993 176.600 -0.012 0.000 1.050 458 K CA 1.359 57.647 56.287 0.001 0.000 0.938 458 K CB -0.983 31.513 32.500 -0.007 0.000 0.718 458 K HN 0.722 nan 8.250 nan 0.000 0.442 459 A N 0.625 123.441 122.820 -0.007 0.000 2.067 459 A HA -0.135 4.182 4.320 -0.005 0.000 0.219 459 A C 1.743 179.291 177.584 -0.060 0.000 1.158 459 A CA 1.569 53.583 52.037 -0.038 0.000 0.661 459 A CB -0.383 18.593 19.000 -0.040 0.000 0.801 459 A HN 0.497 nan 8.150 nan 0.000 0.452 460 E N -0.766 119.435 120.200 0.001 0.000 2.122 460 E HA -0.130 4.217 4.350 -0.005 0.000 0.190 460 E C 1.980 178.570 176.600 -0.016 0.000 0.977 460 E CA 0.726 57.168 56.400 0.069 0.000 0.820 460 E CB -0.108 29.745 29.700 0.255 0.000 0.770 460 E HN 0.781 nan 8.360 nan 0.000 0.462 461 E N 0.914 121.073 120.200 -0.069 0.000 2.070 461 E HA -0.226 4.120 4.350 -0.005 0.000 0.197 461 E C 2.013 178.553 176.600 -0.099 0.000 1.004 461 E CA 1.067 57.392 56.400 -0.126 0.000 0.805 461 E CB 0.100 29.734 29.700 -0.110 0.000 0.744 461 E HN 0.129 nan 8.360 nan 0.000 0.451 462 I N 1.045 121.573 120.570 -0.070 0.000 2.226 462 I HA -0.229 3.938 4.170 -0.005 0.000 0.245 462 I C 2.596 178.679 176.117 -0.056 0.000 1.100 462 I CA 0.702 61.965 61.300 -0.062 0.000 1.374 462 I CB -1.213 36.755 38.000 -0.053 0.000 1.057 462 I HN 0.283 nan 8.210 nan 0.000 0.413 463 L N 0.582 121.770 121.223 -0.057 0.000 1.994 463 L HA -0.202 4.135 4.340 -0.005 0.000 0.208 463 L C 2.776 179.650 176.870 0.007 0.000 1.071 463 L CA 2.139 56.947 54.840 -0.054 0.000 0.745 463 L CB -0.892 41.087 42.059 -0.133 0.000 0.892 463 L HN 0.151 nan 8.230 nan 0.000 0.431 464 S N -0.991 114.747 115.700 0.062 0.000 2.382 464 S HA -0.253 4.214 4.470 -0.005 0.000 0.228 464 S C 2.254 176.803 174.600 -0.085 0.000 1.027 464 S CA 1.391 59.587 58.200 -0.007 0.000 0.991 464 S CB -0.390 62.695 63.200 -0.193 0.000 0.823 464 S HN 0.520 nan 8.310 nan 0.000 0.469 465 R N 1.254 121.704 120.500 -0.083 0.000 2.081 465 R HA 0.016 4.352 4.340 -0.005 0.000 0.235 465 R C 2.546 178.826 176.300 -0.032 0.000 1.131 465 R CA 2.176 58.235 56.100 -0.068 0.000 0.960 465 R CB -1.257 29.001 30.300 -0.069 0.000 0.856 465 R HN 0.399 nan 8.270 nan 0.000 0.436 466 S N -0.473 115.214 115.700 -0.022 0.000 2.356 466 S HA -0.058 4.409 4.470 -0.005 0.000 0.223 466 S C 1.942 176.565 174.600 0.038 0.000 1.032 466 S CA 1.410 59.618 58.200 0.013 0.000 1.005 466 S CB -0.271 62.931 63.200 0.004 0.000 0.867 466 S HN 0.403 nan 8.310 nan 0.000 0.449 467 I N 1.062 121.615 120.570 -0.029 0.000 2.208 467 I HA -0.142 4.024 4.170 -0.005 0.000 0.245 467 I C 2.315 178.372 176.117 -0.100 0.000 1.097 467 I CA 1.013 62.241 61.300 -0.119 0.000 1.363 467 I CB -0.412 37.361 38.000 -0.377 0.000 1.051 467 I HN 0.199 nan 8.210 nan 0.000 0.413 468 V N 1.046 120.886 119.914 -0.124 0.000 2.332 468 V HA -0.307 3.810 4.120 -0.005 0.000 0.248 468 V C 2.527 178.649 176.094 0.048 0.000 1.055 468 V CA 2.086 64.338 62.300 -0.081 0.000 1.038 468 V CB -0.622 31.153 31.823 -0.081 0.000 0.651 468 V HN 0.384 nan 8.190 nan 0.000 0.450 469 K N 0.658 121.098 120.400 0.068 0.000 2.025 469 K HA -0.131 4.186 4.320 -0.005 0.000 0.207 469 K C 2.214 178.920 176.600 0.176 0.000 1.049 469 K CA 1.526 57.876 56.287 0.105 0.000 0.933 469 K CB -0.381 32.172 32.500 0.088 0.000 0.714 469 K HN 0.333 nan 8.250 nan 0.000 0.438 470 R N -0.880 119.773 120.500 0.255 0.000 2.091 470 R HA -0.132 4.205 4.340 -0.005 0.000 0.238 470 R C 2.383 178.901 176.300 0.364 0.000 1.136 470 R CA 1.841 58.152 56.100 0.352 0.000 0.959 470 R CB -0.467 30.158 30.300 0.542 0.000 0.856 470 R HN 0.415 nan 8.270 nan 0.000 0.437 471 W N 0.189 121.500 121.300 0.018 0.000 2.388 471 W HA -0.083 4.575 4.660 -0.004 0.000 0.294 471 W C 2.369 178.863 176.519 -0.040 0.000 1.212 471 W CA 0.635 57.966 57.345 -0.024 0.000 1.271 471 W CB -0.076 29.318 29.460 -0.110 0.000 1.126 471 W HN 0.239 nan 8.180 nan 0.000 0.535 472 A N 0.715 123.627 122.820 0.153 0.000 1.898 472 A HA -0.211 4.106 4.320 -0.005 0.000 0.216 472 A C 1.713 179.261 177.584 -0.059 0.000 1.181 472 A CA 1.743 53.785 52.037 0.007 0.000 0.620 472 A CB -1.005 17.997 19.000 0.002 0.000 0.819 472 A HN 0.200 nan 8.150 nan 0.000 0.442 473 N N -0.738 117.982 118.700 0.034 0.000 2.104 473 N HA -0.156 4.581 4.740 -0.005 0.000 0.190 473 N C 1.377 176.875 175.510 -0.021 0.000 1.024 473 N CA 1.487 54.569 53.050 0.052 0.000 0.853 473 N CB -0.667 37.937 38.487 0.195 0.000 1.008 473 N HN 0.503 nan 8.380 nan 0.000 0.424 474 F N 1.612 121.466 119.950 -0.160 0.000 2.091 474 F HA -0.186 4.337 4.527 -0.007 0.000 0.299 474 F C 2.163 177.842 175.800 -0.201 0.000 1.103 474 F CA 1.579 59.429 58.000 -0.250 0.000 1.228 474 F CB -0.628 38.148 39.000 -0.374 0.000 0.984 474 F HN 0.057 nan 8.300 nan 0.000 0.477 475 A N 0.135 122.825 122.820 -0.217 0.000 1.873 475 A HA -0.188 4.129 4.320 -0.005 0.000 0.215 475 A C 2.246 179.604 177.584 -0.376 0.000 1.186 475 A CA 1.924 53.779 52.037 -0.304 0.000 0.616 475 A CB -0.677 18.219 19.000 -0.173 0.000 0.823 475 A HN 0.471 nan 8.150 nan 0.000 0.442 476 K N -1.938 118.181 120.400 -0.468 0.000 2.097 476 K HA -0.070 4.247 4.320 -0.005 0.000 0.205 476 K C 1.092 177.321 176.600 -0.618 0.000 1.050 476 K CA 1.738 57.606 56.287 -0.698 0.000 0.938 476 K CB -0.191 31.547 32.500 -1.271 0.000 0.718 476 K HN 0.749 nan 8.250 nan 0.000 0.442 477 Y N -1.932 118.281 120.300 -0.145 0.000 2.499 477 Y HA 0.253 4.800 4.550 -0.006 0.000 0.253 477 Y C 1.054 176.857 175.900 -0.162 0.000 1.105 477 Y CA -0.248 57.782 58.100 -0.117 0.000 1.240 477 Y CB 1.724 40.145 38.460 -0.065 0.000 1.289 477 Y HN 0.141 nan 8.280 nan 0.000 0.534 478 G N 1.454 110.118 108.800 -0.228 0.000 2.132 478 G HA2 -0.271 3.685 3.960 -0.005 0.000 0.234 478 G HA3 -0.271 3.685 3.960 -0.005 0.000 0.234 478 G C -0.494 174.345 174.900 -0.102 0.000 0.989 478 G CA 0.066 44.968 45.100 -0.330 0.000 0.676 478 G HN 0.304 nan 8.290 nan 0.000 0.522 479 N N -0.016 118.622 118.700 -0.104 0.000 2.549 479 N HA 0.425 5.162 4.740 -0.005 0.000 0.290 479 N C -2.947 172.417 175.510 -0.244 0.000 1.122 479 N CA -1.496 51.425 53.050 -0.215 0.000 0.885 479 N CB 2.585 41.064 38.487 -0.015 0.000 1.455 479 N HN -0.043 nan 8.380 nan 0.000 0.521 480 P HA 0.158 nan 4.420 nan 0.000 0.212 480 P C -0.643 176.688 177.300 0.052 0.000 1.816 480 P CA -0.161 62.785 63.100 -0.256 0.000 0.944 480 P CB 0.115 31.398 31.700 -0.695 0.000 1.896 481 Q N 0.570 120.412 119.800 0.070 0.000 2.214 481 Q HA 0.306 4.643 4.340 -0.005 0.000 0.251 481 Q C 0.135 176.232 176.000 0.162 0.000 0.936 481 Q CA -0.317 55.579 55.803 0.156 0.000 0.894 481 Q CB 1.693 30.501 28.738 0.117 0.000 1.252 481 Q HN 0.209 nan 8.270 nan 0.000 0.448 482 E N 1.716 122.011 120.200 0.160 0.000 2.073 482 E HA 0.141 4.488 4.350 -0.005 0.000 0.269 482 E C 0.021 176.678 176.600 0.094 0.000 0.917 482 E CA -0.186 56.287 56.400 0.122 0.000 0.757 482 E CB 0.827 30.594 29.700 0.111 0.000 1.111 482 E HN 0.695 nan 8.360 nan 0.000 0.410 483 T N 0.839 115.440 114.554 0.079 0.000 3.081 483 T HA 0.082 4.429 4.350 -0.005 0.000 0.250 483 T C 1.111 175.839 174.700 0.046 0.000 1.100 483 T CA 0.397 62.533 62.100 0.061 0.000 1.038 483 T CB 0.238 69.133 68.868 0.045 0.000 0.962 483 T HN 0.348 nan 8.240 nan 0.000 0.516 484 Q N 0.382 120.209 119.800 0.045 0.000 2.350 484 Q HA 0.275 4.612 4.340 -0.005 0.000 0.225 484 Q C 0.253 176.270 176.000 0.028 0.000 0.878 484 Q CA 0.028 55.851 55.803 0.033 0.000 0.935 484 Q CB 0.552 29.309 28.738 0.032 0.000 1.099 484 Q HN 0.308 nan 8.270 nan 0.000 0.527 485 N N 1.709 120.427 118.700 0.031 0.000 2.610 485 N HA 0.109 4.845 4.740 -0.005 0.000 0.309 485 N C -1.144 174.380 175.510 0.024 0.000 1.536 485 N CA -0.052 53.011 53.050 0.023 0.000 0.954 485 N CB 0.408 38.905 38.487 0.018 0.000 1.310 485 N HN 0.125 nan 8.380 nan 0.000 0.502 486 N N -0.199 118.517 118.700 0.027 0.000 2.699 486 N HA -0.176 4.560 4.740 -0.005 0.000 0.256 486 N C -0.728 174.801 175.510 0.031 0.000 0.993 486 N CA 0.709 53.776 53.050 0.028 0.000 0.759 486 N CB -1.165 37.334 38.487 0.020 0.000 0.906 486 N HN 0.168 nan 8.380 nan 0.000 0.541 487 S N 0.046 115.770 115.700 0.042 0.000 2.632 487 S HA 0.291 4.758 4.470 -0.005 0.000 0.271 487 S C 0.777 175.411 174.600 0.056 0.000 1.260 487 S CA -0.466 57.761 58.200 0.046 0.000 1.010 487 S CB 1.377 64.612 63.200 0.059 0.000 0.965 487 S HN 0.213 nan 8.310 nan 0.000 0.534 488 T N 2.581 117.164 114.554 0.047 0.000 2.928 488 T HA 0.107 4.453 4.350 -0.005 0.000 0.305 488 T C 0.466 175.227 174.700 0.103 0.000 1.035 488 T CA 0.130 62.264 62.100 0.056 0.000 1.145 488 T CB 0.472 69.355 68.868 0.024 0.000 0.963 488 T HN 0.555 nan 8.240 nan 0.000 0.545 489 S N 3.159 118.935 115.700 0.128 0.000 2.545 489 S HA 0.251 4.717 4.470 -0.005 0.000 0.275 489 S C -0.672 174.103 174.600 0.292 0.000 1.299 489 S CA -0.845 57.472 58.200 0.195 0.000 1.048 489 S CB 0.242 63.539 63.200 0.162 0.000 0.938 489 S HN 0.676 nan 8.310 nan 0.000 0.496 490 W N 7.610 129.007 121.300 0.163 0.000 2.342 490 W HA 0.441 5.097 4.660 -0.007 0.000 0.310 490 W C -2.600 174.124 176.519 0.342 0.000 1.128 490 W CA -2.942 54.545 57.345 0.238 0.000 1.322 490 W CB 0.648 30.236 29.460 0.215 0.000 1.251 490 W HN 0.536 nan 8.180 nan 0.000 0.439 491 P HA 0.106 nan 4.420 nan 0.000 0.282 491 P C -0.118 177.445 177.300 0.437 0.000 1.249 491 P CA -0.140 63.233 63.100 0.456 0.000 0.806 491 P CB 1.686 33.571 31.700 0.307 0.000 0.984 492 V N 1.232 121.244 119.914 0.163 0.000 2.843 492 V HA 0.200 4.317 4.120 -0.005 0.000 0.305 492 V C -0.176 175.958 176.094 0.067 0.000 1.065 492 V CA -0.426 61.763 62.300 -0.184 0.000 1.116 492 V CB -0.409 31.210 31.823 -0.341 0.000 0.968 492 V HN 0.387 nan 8.190 nan 0.000 0.487 493 F N 5.025 124.924 119.950 -0.085 0.000 2.424 493 F HA 0.636 5.161 4.527 -0.003 0.000 0.356 493 F C 0.219 176.025 175.800 0.009 0.000 1.110 493 F CA -0.274 57.758 58.000 0.054 0.000 1.161 493 F CB 0.557 39.643 39.000 0.144 0.000 1.115 493 F HN 0.573 nan 8.300 nan 0.000 0.507 494 K N 3.694 123.909 120.400 -0.309 0.000 2.340 494 K HA 0.352 4.669 4.320 -0.005 0.000 0.244 494 K C -0.512 175.872 176.600 -0.359 0.000 0.973 494 K CA -0.923 55.253 56.287 -0.184 0.000 0.828 494 K CB 1.967 34.398 32.500 -0.115 0.000 1.226 494 K HN 0.546 nan 8.250 nan 0.000 0.437 495 S N 0.878 116.497 115.700 -0.134 0.000 2.572 495 S HA 0.167 4.633 4.470 -0.005 0.000 0.279 495 S C 0.813 175.336 174.600 -0.130 0.000 1.341 495 S CA 1.223 59.355 58.200 -0.114 0.000 1.043 495 S CB 0.244 63.424 63.200 -0.033 0.000 0.887 495 S HN 0.867 nan 8.310 nan 0.000 0.516 496 T N 1.553 116.036 114.554 -0.119 0.000 14.097 496 T HA -0.249 4.098 4.350 -0.005 0.000 0.419 496 T C 0.984 175.607 174.700 -0.128 0.000 1.443 496 T CA 0.790 62.831 62.100 -0.098 0.000 2.338 496 T CB -1.883 66.939 68.868 -0.076 0.000 2.759 496 T HN 0.576 nan 8.240 nan 0.000 0.288 497 E N 2.347 122.457 120.200 -0.151 0.000 2.152 497 E HA 0.167 4.513 4.350 -0.005 0.000 0.192 497 E C 0.734 177.217 176.600 -0.195 0.000 0.983 497 E CA 0.740 57.059 56.400 -0.135 0.000 0.818 497 E CB -0.240 29.403 29.700 -0.095 0.000 0.758 497 E HN 0.821 nan 8.360 nan 0.000 0.467 498 Q N 0.855 120.397 119.800 -0.429 0.000 2.452 498 Q HA -0.200 4.137 4.340 -0.005 0.000 0.318 498 Q C -1.018 174.862 176.000 -0.199 0.000 1.386 498 Q CA 0.477 55.860 55.803 -0.701 0.000 0.872 498 Q CB -1.358 27.139 28.738 -0.402 0.000 1.151 498 Q HN 0.241 nan 8.270 nan 0.000 0.417 499 K N 1.119 121.465 120.400 -0.091 0.000 2.270 499 K HA 0.427 4.744 4.320 -0.005 0.000 0.276 499 K C -0.191 176.713 176.600 0.506 0.000 1.023 499 K CA -0.150 56.237 56.287 0.167 0.000 0.955 499 K CB 0.519 33.093 32.500 0.123 0.000 0.975 499 K HN 0.275 nan 8.250 nan 0.000 0.471 500 Y N -0.671 119.836 120.300 0.344 0.000 2.588 500 Y HA 0.603 5.149 4.550 -0.006 0.000 0.343 500 Y C -1.558 174.511 175.900 0.282 0.000 1.065 500 Y CA -1.697 56.694 58.100 0.485 0.000 1.038 500 Y CB 0.841 39.627 38.460 0.544 0.000 1.297 500 Y HN 0.344 nan 8.280 nan 0.000 0.467 501 L N 2.993 124.359 121.223 0.239 0.000 2.307 501 L HA 0.659 4.996 4.340 -0.005 0.000 0.284 501 L C -0.070 176.852 176.870 0.085 0.000 1.023 501 L CA -0.178 54.574 54.840 -0.147 0.000 0.810 501 L CB 1.651 43.181 42.059 -0.881 0.000 1.231 501 L HN 0.959 nan 8.230 nan 0.000 0.423 502 T N 3.361 117.957 114.554 0.070 0.000 2.882 502 T HA 0.592 4.939 4.350 -0.005 0.000 0.287 502 T C -0.248 174.472 174.700 0.034 0.000 0.992 502 T CA -0.661 61.561 62.100 0.203 0.000 1.076 502 T CB 0.677 69.676 68.868 0.219 0.000 0.961 502 T HN 0.499 nan 8.240 nan 0.000 0.490 503 L N 4.041 125.280 121.223 0.025 0.000 2.319 503 L HA 0.602 4.939 4.340 -0.005 0.000 0.281 503 L C -0.366 176.346 176.870 -0.264 0.000 1.005 503 L CA -0.800 53.982 54.840 -0.097 0.000 0.828 503 L CB 0.935 42.997 42.059 0.005 0.000 1.227 503 L HN 0.984 nan 8.230 nan 0.000 0.415 504 N N -0.783 117.777 118.700 -0.234 0.000 2.927 504 N HA 0.213 4.950 4.740 -0.005 0.000 0.248 504 N C 0.284 175.656 175.510 -0.231 0.000 1.443 504 N CA -0.341 52.553 53.050 -0.259 0.000 0.870 504 N CB 0.965 39.362 38.487 -0.149 0.000 1.444 504 N HN 0.292 nan 8.380 nan 0.000 0.519 505 T N -2.915 111.491 114.554 -0.247 0.000 3.023 505 T HA 0.026 4.373 4.350 -0.005 0.000 0.266 505 T C 0.531 175.164 174.700 -0.112 0.000 1.093 505 T CA 1.297 63.262 62.100 -0.225 0.000 1.129 505 T CB -0.385 68.327 68.868 -0.260 0.000 0.899 505 T HN 0.630 nan 8.240 nan 0.000 0.491 506 E N 2.609 122.765 120.200 -0.075 0.000 2.110 506 E HA 0.206 4.553 4.350 -0.005 0.000 0.220 506 E C 0.626 177.200 176.600 -0.042 0.000 0.893 506 E CA 0.356 56.730 56.400 -0.044 0.000 1.027 506 E CB -0.058 29.628 29.700 -0.023 0.000 1.017 506 E HN 0.485 nan 8.360 nan 0.000 0.522 507 S N 0.927 116.608 115.700 -0.032 0.000 2.449 507 S HA 0.373 4.840 4.470 -0.005 0.000 0.310 507 S C -0.149 174.432 174.600 -0.032 0.000 1.096 507 S CA -0.894 57.290 58.200 -0.026 0.000 1.095 507 S CB 1.098 64.290 63.200 -0.014 0.000 1.007 507 S HN 0.343 nan 8.310 nan 0.000 0.474 508 T N 1.585 116.116 114.554 -0.039 0.000 2.897 508 T HA 0.539 4.886 4.350 -0.005 0.000 0.294 508 T C -0.162 174.514 174.700 -0.041 0.000 1.004 508 T CA -0.784 61.287 62.100 -0.048 0.000 1.106 508 T CB 0.250 69.076 68.868 -0.069 0.000 0.949 508 T HN 0.763 nan 8.240 nan 0.000 0.520 509 R N 2.043 122.515 120.500 -0.048 0.000 2.750 509 R HA 0.512 4.849 4.340 -0.005 0.000 0.281 509 R C -0.619 175.619 176.300 -0.104 0.000 0.972 509 R CA -1.166 54.900 56.100 -0.057 0.000 0.912 509 R CB 1.501 31.774 30.300 -0.045 0.000 1.187 509 R HN 0.506 nan 8.270 nan 0.000 0.464 510 I N 3.890 124.405 120.570 -0.091 0.000 2.352 510 I HA 0.259 4.425 4.170 -0.005 0.000 0.290 510 I C 0.422 176.416 176.117 -0.205 0.000 1.036 510 I CA 0.255 61.482 61.300 -0.121 0.000 1.336 510 I CB 0.483 38.466 38.000 -0.028 0.000 1.407 510 I HN 0.519 nan 8.210 nan 0.000 0.497 511 M N 5.146 124.479 119.600 -0.446 0.000 2.745 511 M HA 0.568 5.045 4.480 -0.005 0.000 0.290 511 M C -0.164 175.900 176.300 -0.393 0.000 1.262 511 M CA -0.669 54.349 55.300 -0.470 0.000 0.795 511 M CB 2.294 34.495 32.600 -0.664 0.000 1.758 511 M HN 0.553 nan 8.290 nan 0.000 0.461 512 T N -2.220 112.302 114.554 -0.054 0.000 2.912 512 T HA 0.545 4.892 4.350 -0.005 0.000 0.299 512 T C -0.659 174.199 174.700 0.264 0.000 1.052 512 T CA -0.909 61.273 62.100 0.136 0.000 0.996 512 T CB 1.914 70.802 68.868 0.034 0.000 1.070 512 T HN 0.690 nan 8.240 nan 0.000 0.465 513 K N 0.694 121.228 120.400 0.223 0.000 3.393 513 K HA -0.148 4.169 4.320 -0.005 0.000 0.272 513 K C -0.188 176.452 176.600 0.068 0.000 1.004 513 K CA -0.179 56.168 56.287 0.099 0.000 0.764 513 K CB -1.505 31.025 32.500 0.050 0.000 1.373 513 K HN 0.636 nan 8.250 nan 0.000 0.458 514 L N 1.678 122.859 121.223 -0.070 0.000 2.578 514 L HA -0.030 4.306 4.340 -0.005 0.000 0.279 514 L C 0.809 177.590 176.870 -0.147 0.000 1.227 514 L CA 0.793 55.445 54.840 -0.313 0.000 0.900 514 L CB 0.152 41.692 42.059 -0.866 0.000 1.144 514 L HN 0.425 nan 8.230 nan 0.000 0.496 515 R N 2.710 123.165 120.500 -0.076 0.000 3.502 515 R HA -0.292 4.045 4.340 -0.005 0.000 0.266 515 R C 1.241 177.571 176.300 0.050 0.000 1.077 515 R CA 0.779 56.893 56.100 0.023 0.000 0.718 515 R CB -2.522 27.825 30.300 0.079 0.000 1.120 515 R HN 0.889 nan 8.270 nan 0.000 0.457 516 A N 0.767 123.606 122.820 0.031 0.000 1.884 516 A HA -0.276 4.040 4.320 -0.005 0.000 0.219 516 A C 2.156 179.773 177.584 0.055 0.000 1.197 516 A CA 1.866 53.927 52.037 0.040 0.000 0.637 516 A CB -0.289 18.729 19.000 0.030 0.000 0.827 516 A HN 0.574 nan 8.150 nan 0.000 0.450 517 Q N -1.405 118.417 119.800 0.038 0.000 2.119 517 Q HA -0.209 4.128 4.340 -0.005 0.000 0.201 517 Q C 2.374 178.396 176.000 0.036 0.000 0.972 517 Q CA 1.611 57.428 55.803 0.022 0.000 0.847 517 Q CB -0.120 28.606 28.738 -0.019 0.000 0.903 517 Q HN 0.785 nan 8.270 nan 0.000 0.433 518 Q N -0.500 119.338 119.800 0.064 0.000 2.050 518 Q HA -0.156 4.180 4.340 -0.005 0.000 0.202 518 Q C 2.085 178.293 176.000 0.347 0.000 0.980 518 Q CA 1.652 57.550 55.803 0.160 0.000 0.840 518 Q CB -0.216 28.690 28.738 0.279 0.000 0.898 518 Q HN 0.360 nan 8.270 nan 0.000 0.424 519 c N -0.064 118.717 118.600 0.301 0.000 2.464 519 c HA 0.062 4.629 4.570 -0.005 0.000 0.278 519 c C 2.338 176.566 174.090 0.230 0.000 1.375 519 c CA -0.069 56.459 56.329 0.332 0.000 1.761 519 c CB -0.665 41.974 42.510 0.215 0.000 1.944 519 c HN 0.444 nan 8.230 nan 0.000 0.509 520 R N 0.333 120.925 120.500 0.153 0.000 2.083 520 R HA -0.173 4.164 4.340 -0.005 0.000 0.237 520 R C 2.076 178.441 176.300 0.108 0.000 1.137 520 R CA 1.832 57.998 56.100 0.110 0.000 0.951 520 R CB -0.686 29.659 30.300 0.075 0.000 0.851 520 R HN 0.569 nan 8.270 nan 0.000 0.434 521 F N 0.150 120.048 119.950 -0.087 0.000 2.065 521 F HA -0.259 4.264 4.527 -0.006 0.000 0.298 521 F C 1.739 177.459 175.800 -0.133 0.000 1.112 521 F CA 1.608 59.470 58.000 -0.231 0.000 1.212 521 F CB -0.446 38.216 39.000 -0.564 0.000 0.975 521 F HN 0.025 nan 8.300 nan 0.000 0.476 522 W N -0.160 121.161 121.300 0.034 0.000 2.436 522 W HA -0.076 4.580 4.660 -0.006 0.000 0.284 522 W C 2.489 179.008 176.519 -0.000 0.000 1.225 522 W CA 1.418 58.734 57.345 -0.049 0.000 1.271 522 W CB -0.588 28.973 29.460 0.169 0.000 1.114 522 W HN -0.126 nan 8.180 nan 0.000 0.559 523 T N -1.638 113.059 114.554 0.237 0.000 3.010 523 T HA -0.029 4.317 4.350 -0.005 0.000 0.252 523 T C 1.766 176.531 174.700 0.107 0.000 1.047 523 T CA 1.372 63.577 62.100 0.176 0.000 1.140 523 T CB -0.140 68.822 68.868 0.158 0.000 0.885 523 T HN -0.092 nan 8.240 nan 0.000 0.464 524 S N 0.692 116.443 115.700 0.086 0.000 2.398 524 S HA 0.211 4.678 4.470 -0.005 0.000 0.220 524 S C 1.484 176.142 174.600 0.097 0.000 1.046 524 S CA 0.090 58.341 58.200 0.085 0.000 0.953 524 S CB -0.194 63.060 63.200 0.090 0.000 0.856 524 S HN 0.424 nan 8.310 nan 0.000 0.506 525 F N 1.657 121.536 119.950 -0.118 0.000 2.147 525 F HA 0.241 4.765 4.527 -0.006 0.000 0.291 525 F C 1.772 177.453 175.800 -0.198 0.000 1.093 525 F CA 0.341 58.243 58.000 -0.164 0.000 1.263 525 F CB -0.879 37.981 39.000 -0.233 0.000 1.036 525 F HN 0.206 nan 8.300 nan 0.000 0.481 526 F N 2.315 121.636 119.950 -1.049 0.000 2.202 526 F HA -0.015 4.508 4.527 -0.006 0.000 0.301 526 F C -0.989 174.483 175.800 -0.546 0.000 1.082 526 F CA 1.057 58.385 58.000 -1.120 0.000 1.313 526 F CB -1.685 36.773 39.000 -0.904 0.000 1.024 526 F HN -0.024 nan 8.300 nan 0.000 0.495 527 P HA -0.146 nan 4.420 nan 0.000 0.228 527 P C 0.864 178.022 177.300 -0.237 0.000 1.151 527 P CA 1.506 64.532 63.100 -0.123 0.000 0.770 527 P CB -0.125 31.579 31.700 0.005 0.000 0.786 528 K N -0.586 119.600 120.400 -0.356 0.000 2.211 528 K HA 0.046 4.362 4.320 -0.005 0.000 0.201 528 K C 1.229 177.669 176.600 -0.267 0.000 1.052 528 K CA 0.321 56.470 56.287 -0.230 0.000 0.973 528 K CB -0.331 32.112 32.500 -0.095 0.000 0.766 528 K HN 0.104 nan 8.250 nan 0.000 0.466 529 V N 0.000 119.605 119.914 -0.515 0.000 2.409 529 V HA 0.000 4.117 4.120 -0.005 0.000 0.244 529 V CA 0.000 62.089 62.300 -0.351 0.000 1.235 529 V CB 0.000 31.518 31.823 -0.509 0.000 1.184 529 V HN 0.000 nan 8.190 nan 0.000 0.556