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 1g8f_1_A DATA FIRST_RESID 2 DATA SEQUENCE PAPHGGILQD LIARDALKKN ELLSEAQSSD ILVWNLTPRQ LCDIELILNG DATA SEQUENCE GFSPLTGFLN ENDYSSVVTD SRLADGTLWT IPITLDVDEA FANQIKPDTR DATA SEQUENCE IALFQDDEIP IAILTVQDVY KPNKTIEAER VFRGDPEHPA ISYLFNVAGD DATA SEQUENCE YYVGGSLEAI QLPQHYDYPG LRKTPAQLRL EFQSRQWDRV VAFQTRNPMH DATA SEQUENCE RAHRELTVRA AREANAKVLI HPVVGLTKPG DIDHHTRVRV YQEIIKRYPN DATA SEQUENCE GIAFLSLLPL AMRMSGDREA VWHAIIRKNY GASHFIVGRD HAGPGKNSKG DATA SEQUENCE VDFYGPYDAQ ELVESYKHEL DIEVVPFRMV TYLPDEDRYA PIDQIDTTKT DATA SEQUENCE RTLNISGTEL RRRLRVGGEI PEWFSYPEVV KILRESNPPR PKQGFSIVLG DATA SEQUENCE NSLTVSREQL SIALLSTFLQ FGGGRYYKIF EHNNKTELLS LIQDFIGSGS DATA SEQUENCE GLIIPDQWED DKDSVVGKQN VYLLDTSSSA DIQLESADEP ISHIVQKVVL DATA SEQUENCE FLEDNGFFVF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.328 177.300 0.047 0.000 1.155 2 P CA 0.000 63.127 63.100 0.044 0.000 0.800 2 P CB 0.000 31.721 31.700 0.036 0.000 0.726 3 A N 0.935 123.782 122.820 0.044 0.000 2.371 3 A HA 0.621 4.940 4.320 -0.001 0.000 0.257 3 A C -2.272 175.347 177.584 0.059 0.000 1.089 3 A CA -0.899 51.163 52.037 0.041 0.000 0.794 3 A CB -0.815 18.204 19.000 0.031 0.000 1.029 3 A HN 0.334 nan 8.150 nan 0.000 0.488 4 P HA 0.027 nan 4.420 nan 0.000 0.269 4 P C -0.367 177.014 177.300 0.135 0.000 1.217 4 P CA 0.316 63.463 63.100 0.079 0.000 0.783 4 P CB 0.224 31.948 31.700 0.040 0.000 0.898 5 H N 1.082 120.190 119.070 0.063 0.000 3.046 5 H HA 0.307 4.863 4.556 -0.001 0.000 0.303 5 H C 1.595 176.963 175.328 0.066 0.000 1.002 5 H CA 2.009 58.108 56.048 0.085 0.000 1.460 5 H CB -0.622 29.236 29.762 0.159 0.000 1.493 5 H HN 0.693 nan 8.280 nan 0.000 0.559 6 G N 2.581 111.285 108.800 -0.160 0.000 2.195 6 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.246 6 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.246 6 G C 1.214 176.081 174.900 -0.055 0.000 0.984 6 G CA 0.705 45.726 45.100 -0.132 0.000 0.633 6 G HN 1.733 nan 8.290 nan 0.000 0.525 7 G N -1.018 107.772 108.800 -0.016 0.000 2.284 7 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.230 7 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.230 7 G C 0.239 175.137 174.900 -0.003 0.000 1.021 7 G CA 0.494 45.590 45.100 -0.007 0.000 0.619 7 G HN 1.460 nan 8.290 nan 0.000 0.510 8 I N 1.071 121.637 120.570 -0.006 0.000 2.498 8 I HA 0.515 4.684 4.170 -0.001 0.000 0.290 8 I C -0.134 175.975 176.117 -0.013 0.000 1.032 8 I CA -1.099 60.193 61.300 -0.013 0.000 1.073 8 I CB 2.056 40.043 38.000 -0.021 0.000 1.251 8 I HN 0.112 nan 8.210 nan 0.000 0.426 9 L N 6.665 127.873 121.223 -0.023 0.000 2.433 9 L HA 0.157 4.496 4.340 -0.001 0.000 0.275 9 L C 0.308 177.149 176.870 -0.048 0.000 1.128 9 L CA 0.396 55.212 54.840 -0.039 0.000 0.875 9 L CB 0.107 42.128 42.059 -0.064 0.000 1.171 9 L HN 0.505 nan 8.230 nan 0.000 0.463 10 Q N 3.635 123.408 119.800 -0.044 0.000 3.184 10 Q HA 0.074 4.413 4.340 -0.001 0.000 0.288 10 Q C -0.639 175.319 176.000 -0.070 0.000 1.412 10 Q CA -0.018 55.754 55.803 -0.052 0.000 0.991 10 Q CB -0.243 28.467 28.738 -0.046 0.000 1.688 10 Q HN 0.561 nan 8.270 nan 0.000 0.554 11 D N 1.730 122.083 120.400 -0.077 0.000 2.402 11 D HA 0.047 4.686 4.640 -0.001 0.000 0.235 11 D C 0.877 177.134 176.300 -0.072 0.000 1.226 11 D CA -0.099 53.848 54.000 -0.089 0.000 0.918 11 D CB 0.392 41.136 40.800 -0.093 0.000 1.043 11 D HN 0.324 nan 8.370 nan 0.000 0.506 12 L N 3.608 124.788 121.223 -0.071 0.000 2.291 12 L HA -0.096 4.243 4.340 -0.001 0.000 0.214 12 L C 2.095 178.932 176.870 -0.055 0.000 1.120 12 L CA 0.131 54.936 54.840 -0.059 0.000 0.799 12 L CB -0.161 41.863 42.059 -0.058 0.000 0.925 12 L HN 0.466 nan 8.230 nan 0.000 0.446 13 I N 0.820 121.353 120.570 -0.062 0.000 2.179 13 I HA -0.256 3.913 4.170 -0.001 0.000 0.242 13 I C 2.851 178.938 176.117 -0.051 0.000 1.088 13 I CA 1.699 62.965 61.300 -0.057 0.000 1.357 13 I CB -1.156 36.806 38.000 -0.063 0.000 1.051 13 I HN 0.193 nan 8.210 nan 0.000 0.409 14 A N 0.580 123.367 122.820 -0.055 0.000 1.873 14 A HA -0.219 4.101 4.320 -0.001 0.000 0.215 14 A C 2.539 180.098 177.584 -0.042 0.000 1.186 14 A CA 1.516 53.524 52.037 -0.049 0.000 0.616 14 A CB -0.683 18.284 19.000 -0.054 0.000 0.823 14 A HN 0.313 nan 8.150 nan 0.000 0.442 15 R N -0.278 120.197 120.500 -0.042 0.000 2.083 15 R HA -0.171 4.168 4.340 -0.001 0.000 0.237 15 R C 0.296 176.578 176.300 -0.030 0.000 1.137 15 R CA 1.910 57.989 56.100 -0.035 0.000 0.951 15 R CB -0.262 30.016 30.300 -0.036 0.000 0.851 15 R HN 0.406 nan 8.270 nan 0.000 0.434 16 D N -0.185 120.196 120.400 -0.032 0.000 2.325 16 D HA 0.105 4.744 4.640 -0.001 0.000 0.225 16 D C 1.183 177.466 176.300 -0.027 0.000 1.096 16 D CA 0.471 54.455 54.000 -0.027 0.000 0.844 16 D CB 0.619 41.403 40.800 -0.026 0.000 0.925 16 D HN 0.303 nan 8.370 nan 0.000 0.513 17 A N 0.735 123.537 122.820 -0.030 0.000 1.903 17 A HA -0.186 4.133 4.320 -0.001 0.000 0.219 17 A C 2.007 179.577 177.584 -0.024 0.000 1.191 17 A CA 1.043 53.062 52.037 -0.029 0.000 0.638 17 A CB -0.680 18.303 19.000 -0.029 0.000 0.823 17 A HN 0.321 nan 8.150 nan 0.000 0.451 18 L N -1.594 119.617 121.223 -0.021 0.000 2.610 18 L HA 0.003 4.343 4.340 -0.001 0.000 0.232 18 L C 1.525 178.387 176.870 -0.014 0.000 1.149 18 L CA 0.699 55.529 54.840 -0.017 0.000 0.872 18 L CB -0.173 41.877 42.059 -0.015 0.000 0.992 18 L HN 0.358 nan 8.230 nan 0.000 0.447 19 K N -0.508 119.883 120.400 -0.016 0.000 2.374 19 K HA 0.039 4.359 4.320 -0.001 0.000 0.202 19 K C 1.581 178.172 176.600 -0.015 0.000 1.040 19 K CA -0.182 56.098 56.287 -0.013 0.000 1.085 19 K CB 0.605 33.098 32.500 -0.011 0.000 0.873 19 K HN 0.063 nan 8.250 nan 0.000 0.539 20 K N 1.860 122.248 120.400 -0.020 0.000 2.009 20 K HA -0.170 4.150 4.320 -0.001 0.000 0.210 20 K C 1.302 177.889 176.600 -0.022 0.000 1.049 20 K CA 1.905 58.177 56.287 -0.025 0.000 0.929 20 K CB 0.004 32.487 32.500 -0.029 0.000 0.714 20 K HN 0.166 nan 8.250 nan 0.000 0.440 21 N N 0.049 118.739 118.700 -0.016 0.000 2.069 21 N HA -0.180 4.559 4.740 -0.001 0.000 0.191 21 N C 1.630 177.136 175.510 -0.007 0.000 1.031 21 N CA 1.636 54.679 53.050 -0.012 0.000 0.852 21 N CB -0.052 38.430 38.487 -0.008 0.000 1.018 21 N HN 0.233 nan 8.380 nan 0.000 0.423 22 E N 0.875 121.073 120.200 -0.005 0.000 2.077 22 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 22 E C 1.932 178.534 176.600 0.004 0.000 0.989 22 E CA 0.824 57.225 56.400 0.001 0.000 0.800 22 E CB -0.167 29.533 29.700 0.001 0.000 0.746 22 E HN 0.338 nan 8.360 nan 0.000 0.452 23 L N -0.096 121.125 121.223 -0.002 0.000 2.109 23 L HA -0.102 4.237 4.340 -0.001 0.000 0.207 23 L C 2.266 179.132 176.870 -0.006 0.000 1.086 23 L CA 0.308 55.148 54.840 -0.000 0.000 0.760 23 L CB -0.264 41.789 42.059 -0.009 0.000 0.910 23 L HN 0.171 nan 8.230 nan 0.000 0.437 24 L N -0.625 120.587 121.223 -0.018 0.000 2.017 24 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 24 L C 2.792 179.665 176.870 0.004 0.000 1.073 24 L CA 1.971 56.794 54.840 -0.028 0.000 0.745 24 L CB -0.522 41.518 42.059 -0.033 0.000 0.894 24 L HN 0.221 nan 8.230 nan 0.000 0.432 25 S N -1.026 114.681 115.700 0.012 0.000 2.368 25 S HA -0.277 4.192 4.470 -0.001 0.000 0.225 25 S C 2.086 176.711 174.600 0.043 0.000 1.030 25 S CA 1.626 59.842 58.200 0.026 0.000 0.999 25 S CB -0.451 62.761 63.200 0.019 0.000 0.844 25 S HN 0.637 nan 8.310 nan 0.000 0.459 26 E N 0.334 120.558 120.200 0.040 0.000 2.077 26 E HA -0.090 4.259 4.350 -0.001 0.000 0.193 26 E C 2.090 178.743 176.600 0.088 0.000 0.989 26 E CA 1.000 57.433 56.400 0.054 0.000 0.800 26 E CB -0.444 29.283 29.700 0.046 0.000 0.746 26 E HN 0.643 nan 8.360 nan 0.000 0.452 27 A N 0.577 123.451 122.820 0.091 0.000 2.019 27 A HA -0.173 4.147 4.320 -0.001 0.000 0.219 27 A C 1.888 179.636 177.584 0.274 0.000 1.164 27 A CA 1.277 53.414 52.037 0.167 0.000 0.644 27 A CB -0.245 18.778 19.000 0.038 0.000 0.805 27 A HN 0.331 nan 8.150 nan 0.000 0.449 28 Q N 0.428 120.336 119.800 0.180 0.000 2.319 28 Q HA 0.081 4.420 4.340 -0.001 0.000 0.202 28 Q C 0.482 176.551 176.000 0.115 0.000 0.896 28 Q CA 0.226 56.140 55.803 0.185 0.000 0.942 28 Q CB 0.188 29.003 28.738 0.129 0.000 1.083 28 Q HN 0.733 nan 8.270 nan 0.000 0.510 29 S N -0.081 115.676 115.700 0.095 0.000 2.568 29 S HA 0.017 4.487 4.470 -0.001 0.000 0.282 29 S C 1.281 175.914 174.600 0.054 0.000 1.338 29 S CA 0.006 58.244 58.200 0.063 0.000 1.045 29 S CB 1.376 64.609 63.200 0.055 0.000 0.873 29 S HN 0.279 nan 8.310 nan 0.000 0.516 30 S N 0.792 116.514 115.700 0.035 0.000 2.453 30 S HA -0.084 4.385 4.470 -0.001 0.000 0.231 30 S C 0.676 175.288 174.600 0.020 0.000 1.005 30 S CA 0.825 59.038 58.200 0.022 0.000 0.949 30 S CB -0.493 62.716 63.200 0.014 0.000 0.774 30 S HN 0.772 nan 8.310 nan 0.000 0.510 31 D N 0.906 121.322 120.400 0.026 0.000 2.348 31 D HA 0.291 4.931 4.640 -0.001 0.000 0.211 31 D C 0.485 176.804 176.300 0.032 0.000 0.998 31 D CA -0.001 54.012 54.000 0.023 0.000 0.873 31 D CB -0.060 40.751 40.800 0.019 0.000 0.925 31 D HN 0.460 nan 8.370 nan 0.000 0.524 32 I N 1.034 121.634 120.570 0.049 0.000 2.575 32 I HA 0.017 4.186 4.170 -0.001 0.000 0.285 32 I C -0.382 175.784 176.117 0.081 0.000 1.085 32 I CA -0.674 60.668 61.300 0.071 0.000 1.403 32 I CB 0.782 38.843 38.000 0.101 0.000 1.409 32 I HN -0.272 nan 8.210 nan 0.000 0.557 33 L N 7.529 128.813 121.223 0.102 0.000 2.380 33 L HA 0.266 4.605 4.340 -0.001 0.000 0.273 33 L C -0.446 176.569 176.870 0.241 0.000 1.138 33 L CA 0.373 55.307 54.840 0.158 0.000 0.832 33 L CB 1.248 43.386 42.059 0.131 0.000 1.124 33 L HN 0.285 nan 8.230 nan 0.000 0.454 34 V N 3.651 123.704 119.914 0.231 0.000 2.604 34 V HA 0.397 4.516 4.120 -0.001 0.000 0.305 34 V C -0.872 175.313 176.094 0.151 0.000 1.043 34 V CA -0.845 61.537 62.300 0.136 0.000 0.888 34 V CB 1.939 33.625 31.823 -0.229 0.000 0.995 34 V HN 0.763 nan 8.190 nan 0.000 0.429 35 W N 5.709 126.961 121.300 -0.079 0.000 2.532 35 W HA 0.416 5.075 4.660 -0.001 0.000 0.321 35 W C -0.794 175.638 176.519 -0.145 0.000 1.037 35 W CA -0.702 56.427 57.345 -0.361 0.000 1.220 35 W CB 1.687 30.830 29.460 -0.528 0.000 1.361 35 W HN 0.663 nan 8.180 nan 0.000 0.468 36 N N 6.366 124.488 118.700 -0.963 0.000 2.414 36 N HA 0.187 4.926 4.740 -0.001 0.000 0.256 36 N C -0.425 174.649 175.510 -0.727 0.000 1.029 36 N CA -0.273 52.420 53.050 -0.595 0.000 0.948 36 N CB 0.792 38.991 38.487 -0.480 0.000 1.102 36 N HN 0.453 nan 8.380 nan 0.000 0.496 37 L N 2.583 123.687 121.223 -0.199 0.000 2.485 37 L HA 0.056 4.395 4.340 -0.001 0.000 0.275 37 L C 1.443 178.312 176.870 -0.001 0.000 1.207 37 L CA -0.149 54.712 54.840 0.035 0.000 0.855 37 L CB 0.392 42.540 42.059 0.149 0.000 1.114 37 L HN 0.567 nan 8.230 nan 0.000 0.485 38 T N -0.510 114.106 114.554 0.103 0.000 2.816 38 T HA 0.255 4.605 4.350 -0.001 0.000 0.282 38 T C -1.582 173.194 174.700 0.125 0.000 0.993 38 T CA -1.704 60.454 62.100 0.096 0.000 0.994 38 T CB 1.115 70.086 68.868 0.172 0.000 1.025 38 T HN 0.436 nan 8.240 nan 0.000 0.529 39 P HA -0.185 nan 4.420 nan 0.000 0.216 39 P C 1.484 178.866 177.300 0.137 0.000 1.153 39 P CA 1.226 64.398 63.100 0.121 0.000 0.858 39 P CB 0.097 31.869 31.700 0.120 0.000 0.789 40 R N 0.113 120.713 120.500 0.166 0.000 2.090 40 R HA -0.089 4.251 4.340 -0.001 0.000 0.228 40 R C 2.535 178.941 176.300 0.178 0.000 1.110 40 R CA 1.241 57.414 56.100 0.122 0.000 0.973 40 R CB -0.386 29.921 30.300 0.011 0.000 0.869 40 R HN 0.167 nan 8.270 nan 0.000 0.440 41 Q N 0.142 120.070 119.800 0.214 0.000 2.170 41 Q HA -0.134 4.205 4.340 -0.001 0.000 0.203 41 Q C 2.114 178.275 176.000 0.268 0.000 0.976 41 Q CA 1.278 57.242 55.803 0.269 0.000 0.858 41 Q CB 0.014 28.893 28.738 0.235 0.000 0.907 41 Q HN 0.371 nan 8.270 nan 0.000 0.433 42 L N -0.599 120.735 121.223 0.185 0.000 2.093 42 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 42 L C 2.435 179.378 176.870 0.121 0.000 1.085 42 L CA 0.681 55.602 54.840 0.135 0.000 0.755 42 L CB -0.324 41.785 42.059 0.083 0.000 0.904 42 L HN 0.359 nan 8.230 nan 0.000 0.435 43 C N -0.263 119.114 119.300 0.128 0.000 2.432 43 C HA -0.153 4.306 4.460 -0.001 0.000 0.277 43 C C 2.438 177.488 174.990 0.100 0.000 1.249 43 C CA 0.586 59.662 59.018 0.098 0.000 1.725 43 C CB -0.732 27.066 27.740 0.097 0.000 2.028 43 C HN 0.542 nan 8.230 nan 0.000 0.477 44 D N 0.497 121.027 120.400 0.218 0.000 2.117 44 D HA -0.085 4.554 4.640 -0.001 0.000 0.197 44 D C 1.890 178.249 176.300 0.098 0.000 0.987 44 D CA 0.907 55.093 54.000 0.309 0.000 0.829 44 D CB -0.492 40.612 40.800 0.507 0.000 0.961 44 D HN 0.449 nan 8.370 nan 0.000 0.460 45 I N 0.709 121.362 120.570 0.138 0.000 2.493 45 I HA -0.230 3.939 4.170 -0.001 0.000 0.254 45 I C 2.207 178.282 176.117 -0.070 0.000 1.160 45 I CA 1.037 62.346 61.300 0.016 0.000 1.445 45 I CB 0.108 38.220 38.000 0.186 0.000 1.086 45 I HN -0.022 nan 8.210 nan 0.000 0.433 46 E N 0.501 120.669 120.200 -0.054 0.000 2.077 46 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 46 E C 2.191 178.677 176.600 -0.190 0.000 0.989 46 E CA 1.077 57.428 56.400 -0.082 0.000 0.800 46 E CB 0.077 29.768 29.700 -0.014 0.000 0.746 46 E HN 0.367 nan 8.360 nan 0.000 0.452 47 L N 0.734 121.741 121.223 -0.360 0.000 2.156 47 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 47 L C 2.321 178.839 176.870 -0.588 0.000 1.095 47 L CA 1.149 55.584 54.840 -0.676 0.000 0.770 47 L CB -0.625 40.518 42.059 -1.527 0.000 0.914 47 L HN 0.348 nan 8.230 nan 0.000 0.439 48 I N -0.427 119.907 120.570 -0.394 0.000 2.193 48 I HA -0.303 3.866 4.170 -0.001 0.000 0.240 48 I C 2.454 178.479 176.117 -0.153 0.000 1.084 48 I CA 0.954 62.154 61.300 -0.168 0.000 1.365 48 I CB -0.231 37.655 38.000 -0.190 0.000 1.064 48 I HN 0.145 nan 8.210 nan 0.000 0.410 49 L N 1.449 122.581 121.223 -0.152 0.000 2.127 49 L HA -0.207 4.132 4.340 -0.001 0.000 0.211 49 L C 1.841 178.640 176.870 -0.118 0.000 1.089 49 L CA 1.371 56.143 54.840 -0.114 0.000 0.757 49 L CB -0.857 41.149 42.059 -0.089 0.000 0.899 49 L HN 0.525 nan 8.230 nan 0.000 0.434 50 N N -0.234 118.377 118.700 -0.148 0.000 2.270 50 N HA 0.050 4.789 4.740 -0.001 0.000 0.198 50 N C 1.190 176.581 175.510 -0.197 0.000 1.117 50 N CA 0.701 53.655 53.050 -0.159 0.000 0.845 50 N CB 0.498 38.891 38.487 -0.157 0.000 0.980 50 N HN 0.220 nan 8.380 nan 0.000 0.486 51 G N -1.227 107.474 108.800 -0.165 0.000 2.179 51 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.260 51 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.260 51 G C 1.026 175.845 174.900 -0.136 0.000 0.977 51 G CA 0.253 45.274 45.100 -0.132 0.000 0.641 51 G HN 0.667 nan 8.290 nan 0.000 0.533 52 G N -0.231 108.436 108.800 -0.222 0.000 2.448 52 G HA2 0.111 4.071 3.960 -0.001 0.000 0.219 52 G HA3 0.111 4.071 3.960 -0.001 0.000 0.219 52 G C 1.013 176.045 174.900 0.220 0.000 1.127 52 G CA 1.304 46.308 45.100 -0.160 0.000 0.766 52 G HN 0.443 nan 8.290 nan 0.000 0.552 53 F N 1.804 121.826 119.950 0.121 0.000 2.668 53 F HA 0.393 4.919 4.527 -0.001 0.000 0.297 53 F C 1.133 177.016 175.800 0.138 0.000 1.124 53 F CA -1.632 56.554 58.000 0.311 0.000 1.353 53 F CB -0.494 38.670 39.000 0.274 0.000 0.992 53 F HN -0.151 nan 8.300 nan 0.000 0.524 54 S N 3.597 119.453 115.700 0.260 0.000 2.561 54 S HA -0.020 4.449 4.470 -0.001 0.000 0.294 54 S C -1.145 173.591 174.600 0.226 0.000 1.294 54 S CA -0.448 57.836 58.200 0.140 0.000 1.055 54 S CB 0.462 63.724 63.200 0.104 0.000 0.819 54 S HN 0.182 nan 8.310 nan 0.000 0.503 55 P HA 0.092 nan 4.420 nan 0.000 0.245 55 P C -0.207 177.008 177.300 -0.141 0.000 1.212 55 P CA 0.005 63.073 63.100 -0.054 0.000 0.774 55 P CB 0.074 31.730 31.700 -0.073 0.000 0.999 56 L N 1.446 122.523 121.223 -0.243 0.000 2.485 56 L HA 0.057 4.396 4.340 -0.001 0.000 0.275 56 L C 1.667 178.461 176.870 -0.128 0.000 1.207 56 L CA 1.438 56.128 54.840 -0.250 0.000 0.855 56 L CB 0.004 41.869 42.059 -0.324 0.000 1.114 56 L HN 0.031 nan 8.230 nan 0.000 0.485 57 T N -1.452 113.029 114.554 -0.122 0.000 3.209 57 T HA 0.639 4.988 4.350 -0.001 0.000 0.295 57 T C 0.296 174.940 174.700 -0.093 0.000 0.977 57 T CA 0.116 62.161 62.100 -0.091 0.000 0.922 57 T CB 0.046 68.874 68.868 -0.066 0.000 1.152 57 T HN 0.804 nan 8.240 nan 0.000 0.527 58 G N 0.507 109.229 108.800 -0.130 0.000 2.427 58 G HA2 0.512 4.471 3.960 -0.001 0.000 0.306 58 G HA3 0.512 4.471 3.960 -0.001 0.000 0.306 58 G C -1.937 172.851 174.900 -0.187 0.000 1.280 58 G CA -1.023 44.002 45.100 -0.124 0.000 0.837 58 G HN 0.147 nan 8.290 nan 0.000 0.482 59 F N 0.729 120.693 119.950 0.023 0.000 2.385 59 F HA 0.508 5.035 4.527 -0.001 0.000 0.336 59 F C 1.125 176.938 175.800 0.021 0.000 1.100 59 F CA -0.575 57.436 58.000 0.019 0.000 1.116 59 F CB 1.325 40.324 39.000 -0.001 0.000 1.166 59 F HN 0.114 nan 8.300 nan 0.000 0.511 60 L N 4.161 125.504 121.223 0.201 0.000 2.499 60 L HA 0.040 4.379 4.340 -0.001 0.000 0.273 60 L C 0.619 177.643 176.870 0.257 0.000 1.195 60 L CA -0.093 54.847 54.840 0.167 0.000 0.882 60 L CB -0.242 41.922 42.059 0.175 0.000 1.133 60 L HN 0.728 nan 8.230 nan 0.000 0.483 61 N N 2.103 120.917 118.700 0.191 0.000 2.379 61 N HA 0.019 4.758 4.740 -0.001 0.000 0.260 61 N C 0.503 176.049 175.510 0.059 0.000 1.254 61 N CA -0.833 52.341 53.050 0.207 0.000 0.958 61 N CB 1.122 39.670 38.487 0.101 0.000 1.208 61 N HN 0.635 nan 8.380 nan 0.000 0.532 62 E N 0.097 120.074 120.200 -0.372 0.000 2.160 62 E HA -0.293 4.057 4.350 -0.001 0.000 0.195 62 E C 1.612 178.117 176.600 -0.159 0.000 0.991 62 E CA 1.085 57.071 56.400 -0.691 0.000 0.810 62 E CB -0.127 28.950 29.700 -1.038 0.000 0.742 62 E HN 0.673 nan 8.360 nan 0.000 0.466 63 N N 0.004 118.645 118.700 -0.098 0.000 2.043 63 N HA -0.192 4.547 4.740 -0.001 0.000 0.193 63 N C 1.460 176.967 175.510 -0.004 0.000 1.037 63 N CA 1.526 54.551 53.050 -0.041 0.000 0.851 63 N CB 0.028 38.495 38.487 -0.033 0.000 1.027 63 N HN 0.119 nan 8.380 nan 0.000 0.422 64 D N -0.348 120.064 120.400 0.019 0.000 2.117 64 D HA -0.153 4.486 4.640 -0.001 0.000 0.198 64 D C 1.678 178.017 176.300 0.063 0.000 0.982 64 D CA 0.694 54.707 54.000 0.022 0.000 0.828 64 D CB -0.482 40.320 40.800 0.004 0.000 0.967 64 D HN 0.404 nan 8.370 nan 0.000 0.464 65 Y N 1.924 122.224 120.300 -0.001 0.000 2.097 65 Y HA -0.271 4.279 4.550 -0.001 0.000 0.282 65 Y C 2.428 178.339 175.900 0.019 0.000 1.152 65 Y CA 1.996 60.126 58.100 0.050 0.000 1.136 65 Y CB -0.390 38.163 38.460 0.155 0.000 0.975 65 Y HN -0.155 nan 8.280 nan 0.000 0.498 66 S N -0.630 115.051 115.700 -0.032 0.000 2.359 66 S HA -0.257 4.212 4.470 -0.001 0.000 0.224 66 S C 2.239 176.736 174.600 -0.171 0.000 1.035 66 S CA 1.414 59.519 58.200 -0.158 0.000 1.018 66 S CB -0.811 62.373 63.200 -0.026 0.000 0.876 66 S HN 0.614 nan 8.310 nan 0.000 0.448 67 S N 0.686 116.330 115.700 -0.093 0.000 2.382 67 S HA -0.085 4.384 4.470 -0.001 0.000 0.228 67 S C 1.874 176.423 174.600 -0.086 0.000 1.027 67 S CA 1.182 59.340 58.200 -0.070 0.000 0.991 67 S CB -0.343 62.836 63.200 -0.035 0.000 0.823 67 S HN 0.301 nan 8.310 nan 0.000 0.469 68 V N 1.203 121.056 119.914 -0.101 0.000 2.358 68 V HA -0.095 4.024 4.120 -0.001 0.000 0.246 68 V C 2.468 178.445 176.094 -0.194 0.000 1.047 68 V CA 1.661 63.906 62.300 -0.092 0.000 1.035 68 V CB -0.624 31.187 31.823 -0.021 0.000 0.658 68 V HN 0.409 nan 8.190 nan 0.000 0.452 69 V N 0.868 120.584 119.914 -0.330 0.000 2.287 69 V HA -0.258 3.861 4.120 -0.001 0.000 0.248 69 V C 2.703 178.669 176.094 -0.213 0.000 1.053 69 V CA 2.738 64.828 62.300 -0.350 0.000 1.027 69 V CB -0.901 30.616 31.823 -0.510 0.000 0.646 69 V HN 0.841 nan 8.190 nan 0.000 0.447 70 T N -3.304 111.152 114.554 -0.163 0.000 3.010 70 T HA -0.022 4.327 4.350 -0.001 0.000 0.252 70 T C 1.206 175.868 174.700 -0.063 0.000 1.047 70 T CA 0.953 62.994 62.100 -0.098 0.000 1.140 70 T CB -0.067 68.756 68.868 -0.075 0.000 0.885 70 T HN 0.428 nan 8.240 nan 0.000 0.464 71 D N 0.783 121.149 120.400 -0.057 0.000 2.398 71 D HA 0.277 4.916 4.640 -0.001 0.000 0.210 71 D C 0.310 176.603 176.300 -0.012 0.000 1.094 71 D CA 0.071 54.059 54.000 -0.021 0.000 0.839 71 D CB 0.374 41.167 40.800 -0.012 0.000 0.963 71 D HN 0.289 nan 8.370 nan 0.000 0.506 72 S N 0.475 116.148 115.700 -0.045 0.000 3.587 72 S HA -0.222 4.248 4.470 -0.001 0.000 0.337 72 S C 0.195 174.773 174.600 -0.037 0.000 1.119 72 S CA 0.754 58.920 58.200 -0.057 0.000 0.976 72 S CB -0.829 62.359 63.200 -0.021 0.000 0.922 72 S HN 0.422 nan 8.310 nan 0.000 0.503 73 R N -0.928 119.574 120.500 0.003 0.000 2.710 73 R HA 0.591 4.930 4.340 -0.001 0.000 0.270 73 R C -0.481 175.848 176.300 0.049 0.000 1.021 73 R CA -0.995 55.130 56.100 0.042 0.000 0.889 73 R CB 1.004 31.312 30.300 0.014 0.000 1.243 73 R HN 0.121 nan 8.270 nan 0.000 0.464 74 L N 1.181 122.440 121.223 0.060 0.000 2.466 74 L HA 0.197 4.537 4.340 -0.001 0.000 0.257 74 L C 1.692 178.556 176.870 -0.010 0.000 1.189 74 L CA 0.115 54.956 54.840 0.002 0.000 0.813 74 L CB 0.689 42.721 42.059 -0.045 0.000 1.118 74 L HN 0.919 nan 8.230 nan 0.000 0.471 75 A N 1.179 123.987 122.820 -0.021 0.000 1.997 75 A HA -0.240 4.079 4.320 -0.001 0.000 0.221 75 A C 1.606 179.179 177.584 -0.019 0.000 1.172 75 A CA 2.017 54.043 52.037 -0.020 0.000 0.645 75 A CB -0.694 18.294 19.000 -0.021 0.000 0.813 75 A HN 0.953 nan 8.150 nan 0.000 0.454 76 D N -2.203 118.182 120.400 -0.025 0.000 2.363 76 D HA 0.258 4.898 4.640 -0.001 0.000 0.226 76 D C 1.163 177.451 176.300 -0.020 0.000 1.020 76 D CA 1.067 55.053 54.000 -0.025 0.000 0.892 76 D CB -0.624 40.156 40.800 -0.034 0.000 0.900 76 D HN 0.894 nan 8.370 nan 0.000 0.531 77 G N -0.695 108.097 108.800 -0.012 0.000 2.176 77 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.232 77 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.232 77 G C 0.383 175.281 174.900 -0.004 0.000 0.986 77 G CA 0.195 45.292 45.100 -0.005 0.000 0.643 77 G HN 0.449 nan 8.290 nan 0.000 0.522 78 T N 1.942 116.491 114.554 -0.009 0.000 2.853 78 T HA 0.406 4.756 4.350 -0.001 0.000 0.298 78 T C 0.569 175.322 174.700 0.088 0.000 0.978 78 T CA -0.013 62.081 62.100 -0.011 0.000 1.152 78 T CB 1.540 70.380 68.868 -0.046 0.000 0.914 78 T HN 0.663 nan 8.240 nan 0.000 0.539 79 L N 5.067 126.352 121.223 0.104 0.000 2.559 79 L HA 0.245 4.584 4.340 -0.001 0.000 0.274 79 L C -0.705 176.335 176.870 0.285 0.000 1.205 79 L CA 0.422 55.305 54.840 0.073 0.000 0.907 79 L CB -0.189 41.828 42.059 -0.069 0.000 1.153 79 L HN 0.730 nan 8.230 nan 0.000 0.490 80 W N 5.656 126.908 121.300 -0.079 0.000 3.698 80 W HA 0.118 4.777 4.660 -0.001 0.000 0.315 80 W C 0.011 176.429 176.519 -0.169 0.000 1.129 80 W CA 0.103 57.398 57.345 -0.083 0.000 1.299 80 W CB 1.683 31.112 29.460 -0.051 0.000 1.181 80 W HN 0.712 nan 8.180 nan 0.000 0.423 81 T N 0.929 115.143 114.554 -0.566 0.000 3.037 81 T HA 0.229 4.578 4.350 -0.001 0.000 0.251 81 T C 0.327 174.718 174.700 -0.514 0.000 1.079 81 T CA 0.553 62.401 62.100 -0.421 0.000 1.067 81 T CB 0.683 69.353 68.868 -0.330 0.000 0.948 81 T HN 0.076 nan 8.240 nan 0.000 0.496 82 I N 3.713 123.791 120.570 -0.821 0.000 2.389 82 I HA 0.422 4.591 4.170 -0.001 0.000 0.288 82 I C -2.508 173.396 176.117 -0.356 0.000 0.999 82 I CA -2.830 58.008 61.300 -0.771 0.000 1.129 82 I CB 2.091 39.184 38.000 -1.512 0.000 1.288 82 I HN -0.085 nan 8.210 nan 0.000 0.444 83 P HA 0.257 nan 4.420 nan 0.000 0.276 83 P C -0.755 176.587 177.300 0.070 0.000 1.235 83 P CA -0.109 63.034 63.100 0.071 0.000 0.772 83 P CB 0.942 32.742 31.700 0.166 0.000 0.871 84 I N 3.927 124.578 120.570 0.135 0.000 2.390 84 I HA 0.325 4.494 4.170 -0.001 0.000 0.283 84 I C 0.689 176.952 176.117 0.242 0.000 1.016 84 I CA 0.153 61.564 61.300 0.186 0.000 1.151 84 I CB 1.496 39.628 38.000 0.219 0.000 1.293 84 I HN 0.350 nan 8.210 nan 0.000 0.458 85 T N 2.932 117.550 114.554 0.107 0.000 2.906 85 T HA 0.670 5.019 4.350 -0.001 0.000 0.295 85 T C -0.767 173.715 174.700 -0.363 0.000 1.075 85 T CA -0.866 61.160 62.100 -0.124 0.000 1.005 85 T CB 1.696 70.095 68.868 -0.782 0.000 1.136 85 T HN 0.242 nan 8.240 nan 0.000 0.498 86 L N 3.441 124.277 121.223 -0.645 0.000 2.270 86 L HA 0.354 4.693 4.340 -0.001 0.000 0.286 86 L C -0.438 176.104 176.870 -0.547 0.000 1.059 86 L CA -0.380 53.916 54.840 -0.907 0.000 0.839 86 L CB -0.055 41.313 42.059 -1.153 0.000 1.221 86 L HN 0.746 nan 8.230 nan 0.000 0.431 87 D N 5.280 125.460 120.400 -0.367 0.000 2.277 87 D HA 0.381 5.020 4.640 -0.001 0.000 0.249 87 D C -0.097 176.081 176.300 -0.203 0.000 1.134 87 D CA -0.340 53.594 54.000 -0.110 0.000 0.863 87 D CB 1.923 42.770 40.800 0.079 0.000 1.143 87 D HN 0.320 nan 8.370 nan 0.000 0.458 88 V N -0.763 119.015 119.914 -0.227 0.000 3.141 88 V HA 0.585 4.704 4.120 -0.001 0.000 0.312 88 V C -0.821 175.308 176.094 0.060 0.000 1.157 88 V CA -1.136 60.938 62.300 -0.377 0.000 1.041 88 V CB 1.888 33.212 31.823 -0.831 0.000 1.071 88 V HN 0.618 nan 8.190 nan 0.000 0.441 89 D N -0.492 120.022 120.400 0.190 0.000 2.340 89 D HA 0.239 4.878 4.640 -0.001 0.000 0.251 89 D C 0.863 177.240 176.300 0.129 0.000 1.080 89 D CA -0.041 54.102 54.000 0.239 0.000 0.971 89 D CB 1.241 42.180 40.800 0.231 0.000 1.137 89 D HN 0.856 nan 8.370 nan 0.000 0.475 90 E N 0.244 120.484 120.200 0.066 0.000 2.070 90 E HA -0.304 4.045 4.350 -0.001 0.000 0.197 90 E C 1.913 178.404 176.600 -0.181 0.000 1.004 90 E CA 1.554 57.769 56.400 -0.309 0.000 0.805 90 E CB -0.325 29.313 29.700 -0.103 0.000 0.744 90 E HN 0.562 nan 8.360 nan 0.000 0.451 91 A N 0.135 122.949 122.820 -0.010 0.000 1.986 91 A HA -0.210 4.109 4.320 -0.001 0.000 0.220 91 A C 1.959 179.575 177.584 0.054 0.000 1.171 91 A CA 1.567 53.619 52.037 0.024 0.000 0.640 91 A CB -0.762 18.287 19.000 0.082 0.000 0.811 91 A HN 0.527 nan 8.150 nan 0.000 0.451 92 F N 0.037 119.974 119.950 -0.022 0.000 2.262 92 F HA 0.251 4.777 4.527 -0.001 0.000 0.292 92 F C 2.499 178.229 175.800 -0.116 0.000 1.081 92 F CA 0.709 58.709 58.000 0.000 0.000 1.355 92 F CB -0.405 38.673 39.000 0.130 0.000 1.069 92 F HN 0.217 nan 8.300 nan 0.000 0.506 93 A N 0.375 123.097 122.820 -0.163 0.000 1.978 93 A HA -0.219 4.100 4.320 -0.001 0.000 0.220 93 A C 2.014 179.395 177.584 -0.338 0.000 1.170 93 A CA 1.924 53.773 52.037 -0.312 0.000 0.636 93 A CB -0.885 17.803 19.000 -0.520 0.000 0.810 93 A HN 0.477 nan 8.150 nan 0.000 0.448 94 N N 0.261 118.774 118.700 -0.312 0.000 2.244 94 N HA -0.128 4.612 4.740 -0.001 0.000 0.183 94 N C 1.509 176.891 175.510 -0.213 0.000 1.016 94 N CA 1.437 54.346 53.050 -0.235 0.000 0.866 94 N CB -0.278 38.101 38.487 -0.181 0.000 0.980 94 N HN 0.847 nan 8.380 nan 0.000 0.430 95 Q N -0.008 119.627 119.800 -0.275 0.000 2.247 95 Q HA 0.246 4.585 4.340 -0.001 0.000 0.205 95 Q C 0.044 175.863 176.000 -0.303 0.000 0.896 95 Q CA 0.197 55.844 55.803 -0.259 0.000 0.950 95 Q CB 0.295 28.884 28.738 -0.249 0.000 1.054 95 Q HN 0.276 nan 8.270 nan 0.000 0.482 96 I N 1.660 122.050 120.570 -0.301 0.000 2.603 96 I HA 0.437 4.606 4.170 -0.001 0.000 0.300 96 I C -0.466 175.568 176.117 -0.137 0.000 1.017 96 I CA -1.123 60.031 61.300 -0.243 0.000 1.098 96 I CB 2.077 39.915 38.000 -0.270 0.000 1.279 96 I HN 0.103 nan 8.210 nan 0.000 0.437 97 K N 4.988 125.335 120.400 -0.088 0.000 2.555 97 K HA 0.573 4.892 4.320 -0.001 0.000 0.279 97 K C -3.134 173.453 176.600 -0.023 0.000 0.986 97 K CA -1.686 54.572 56.287 -0.048 0.000 0.880 97 K CB 2.040 34.514 32.500 -0.044 0.000 1.474 97 K HN 0.113 nan 8.250 nan 0.000 0.433 98 P HA -0.037 nan 4.420 nan 0.000 0.267 98 P C -0.630 176.673 177.300 0.006 0.000 1.200 98 P CA 0.674 63.779 63.100 0.009 0.000 0.772 98 P CB 0.271 31.980 31.700 0.014 0.000 0.855 99 D N -2.054 118.354 120.400 0.014 0.000 2.439 99 D HA -0.111 4.529 4.640 -0.001 0.000 0.172 99 D C -0.089 176.220 176.300 0.014 0.000 1.026 99 D CA 1.286 55.295 54.000 0.014 0.000 1.043 99 D CB -1.903 38.902 40.800 0.008 0.000 1.098 99 D HN 0.396 nan 8.370 nan 0.000 0.467 100 T N 1.690 116.248 114.554 0.007 0.000 2.946 100 T HA 0.216 4.565 4.350 -0.001 0.000 0.311 100 T C 0.733 175.451 174.700 0.030 0.000 1.063 100 T CA 0.310 62.414 62.100 0.006 0.000 1.139 100 T CB 0.900 69.756 68.868 -0.019 0.000 0.994 100 T HN 0.070 nan 8.240 nan 0.000 0.547 101 R N 2.408 122.933 120.500 0.041 0.000 2.387 101 R HA 0.593 4.932 4.340 -0.001 0.000 0.314 101 R C 0.001 176.356 176.300 0.092 0.000 0.958 101 R CA -0.598 55.541 56.100 0.065 0.000 0.846 101 R CB 0.942 31.276 30.300 0.057 0.000 1.147 101 R HN 0.653 nan 8.270 nan 0.000 0.447 102 I N -1.021 119.627 120.570 0.130 0.000 2.740 102 I HA 0.777 4.946 4.170 -0.001 0.000 0.303 102 I C -0.573 175.677 176.117 0.221 0.000 1.044 102 I CA -1.209 60.208 61.300 0.194 0.000 1.064 102 I CB 2.282 40.445 38.000 0.271 0.000 1.249 102 I HN 0.520 nan 8.210 nan 0.000 0.433 103 A N 6.290 129.276 122.820 0.276 0.000 2.309 103 A HA 0.750 5.070 4.320 -0.001 0.000 0.298 103 A C -0.551 177.282 177.584 0.414 0.000 1.165 103 A CA -0.624 51.612 52.037 0.333 0.000 0.821 103 A CB 0.682 19.973 19.000 0.483 0.000 1.102 103 A HN 0.739 nan 8.150 nan 0.000 0.500 104 L N 2.730 124.153 121.223 0.333 0.000 2.298 104 L HA 0.517 4.856 4.340 -0.001 0.000 0.284 104 L C -1.091 175.951 176.870 0.287 0.000 1.013 104 L CA -0.254 54.790 54.840 0.341 0.000 0.824 104 L CB 0.850 43.074 42.059 0.276 0.000 1.221 104 L HN 0.612 nan 8.230 nan 0.000 0.418 105 F N 1.277 121.247 119.950 0.035 0.000 2.497 105 F HA 0.493 5.019 4.527 -0.001 0.000 0.331 105 F C 0.332 176.110 175.800 -0.036 0.000 1.060 105 F CA -0.600 57.394 58.000 -0.010 0.000 0.989 105 F CB 1.697 40.675 39.000 -0.037 0.000 1.245 105 F HN 0.388 nan 8.300 nan 0.000 0.486 106 Q N 0.981 120.860 119.800 0.132 0.000 2.340 106 Q HA 0.298 4.637 4.340 -0.001 0.000 0.268 106 Q C -1.155 174.886 176.000 0.069 0.000 1.031 106 Q CA -0.526 55.308 55.803 0.052 0.000 0.804 106 Q CB 1.240 29.970 28.738 -0.013 0.000 1.286 106 Q HN 0.722 nan 8.270 nan 0.000 0.448 107 D N 3.370 123.787 120.400 0.030 0.000 2.837 107 D HA -0.204 4.435 4.640 -0.001 0.000 0.230 107 D C -0.732 175.589 176.300 0.035 0.000 1.152 107 D CA 1.703 55.717 54.000 0.023 0.000 0.736 107 D CB -1.081 39.742 40.800 0.037 0.000 1.084 107 D HN 0.941 nan 8.370 nan 0.000 0.429 108 D N -1.238 119.182 120.400 0.033 0.000 2.931 108 D HA -0.249 4.390 4.640 -0.001 0.000 0.228 108 D C 1.116 177.477 176.300 0.101 0.000 1.180 108 D CA 1.736 55.732 54.000 -0.006 0.000 0.784 108 D CB -0.694 40.056 40.800 -0.084 0.000 1.093 108 D HN 0.796 nan 8.370 nan 0.000 0.421 109 E N -0.937 119.423 120.200 0.265 0.000 2.614 109 E HA 0.141 4.490 4.350 -0.001 0.000 0.201 109 E C -0.020 176.741 176.600 0.269 0.000 0.889 109 E CA -0.192 56.367 56.400 0.265 0.000 1.564 109 E CB 0.689 30.460 29.700 0.118 0.000 1.623 109 E HN 0.236 nan 8.360 nan 0.000 0.898 110 I N 4.880 125.535 120.570 0.143 0.000 2.307 110 I HA 0.340 4.510 4.170 -0.001 0.000 0.289 110 I C -2.322 173.537 176.117 -0.430 0.000 1.021 110 I CA -2.455 58.791 61.300 -0.090 0.000 1.224 110 I CB 1.421 39.382 38.000 -0.065 0.000 1.376 110 I HN -0.016 nan 8.210 nan 0.000 0.470 111 P HA 0.192 nan 4.420 nan 0.000 0.276 111 P C 0.302 177.329 177.300 -0.455 0.000 1.243 111 P CA 0.159 62.616 63.100 -1.071 0.000 0.768 111 P CB 1.738 32.929 31.700 -0.848 0.000 0.856 112 I N 1.858 122.236 120.570 -0.320 0.000 3.300 112 I HA 0.242 4.411 4.170 -0.001 0.000 0.279 112 I C 1.057 177.127 176.117 -0.079 0.000 1.172 112 I CA 0.534 61.748 61.300 -0.143 0.000 1.431 112 I CB 0.341 38.303 38.000 -0.063 0.000 1.240 112 I HN 0.393 nan 8.210 nan 0.000 0.453 113 A N 0.431 123.228 122.820 -0.039 0.000 2.586 113 A HA 0.705 5.024 4.320 -0.001 0.000 0.290 113 A C -1.568 176.051 177.584 0.058 0.000 1.086 113 A CA -0.425 51.619 52.037 0.013 0.000 0.665 113 A CB 1.099 20.130 19.000 0.052 0.000 1.279 113 A HN 0.018 nan 8.150 nan 0.000 0.423 114 I N 1.516 122.125 120.570 0.064 0.000 2.406 114 I HA 0.375 4.545 4.170 -0.001 0.000 0.290 114 I C -0.812 175.366 176.117 0.101 0.000 0.999 114 I CA -0.702 60.653 61.300 0.092 0.000 1.124 114 I CB 1.690 39.732 38.000 0.069 0.000 1.289 114 I HN 0.541 nan 8.210 nan 0.000 0.441 115 L N 6.344 127.646 121.223 0.131 0.000 2.296 115 L HA 0.501 4.840 4.340 -0.001 0.000 0.286 115 L C -0.494 176.438 176.870 0.104 0.000 1.023 115 L CA 0.046 54.967 54.840 0.134 0.000 0.812 115 L CB 1.573 43.738 42.059 0.176 0.000 1.223 115 L HN 0.533 nan 8.230 nan 0.000 0.421 116 T N 4.853 119.457 114.554 0.083 0.000 2.762 116 T HA 0.288 4.638 4.350 -0.001 0.000 0.303 116 T C 0.269 175.008 174.700 0.065 0.000 0.977 116 T CA -0.301 61.837 62.100 0.063 0.000 0.961 116 T CB 0.824 69.720 68.868 0.046 0.000 0.944 116 T HN 0.404 nan 8.240 nan 0.000 0.481 117 V N 5.072 125.021 119.914 0.058 0.000 2.540 117 V HA 0.001 4.120 4.120 -0.001 0.000 0.297 117 V C 1.215 177.339 176.094 0.050 0.000 1.024 117 V CA 0.541 62.873 62.300 0.054 0.000 1.105 117 V CB 0.721 32.563 31.823 0.032 0.000 0.938 117 V HN 0.915 nan 8.190 nan 0.000 0.482 118 Q N 2.062 121.901 119.800 0.066 0.000 2.387 118 Q HA 0.144 4.484 4.340 -0.001 0.000 0.212 118 Q C -0.014 176.027 176.000 0.069 0.000 0.925 118 Q CA 0.717 56.556 55.803 0.060 0.000 0.901 118 Q CB 0.611 29.388 28.738 0.064 0.000 1.020 118 Q HN 1.029 nan 8.270 nan 0.000 0.545 119 D N -1.750 118.714 120.400 0.105 0.000 2.639 119 D HA 0.375 5.014 4.640 -0.001 0.000 0.271 119 D C -1.194 175.212 176.300 0.178 0.000 1.254 119 D CA -0.785 53.297 54.000 0.136 0.000 0.810 119 D CB 1.369 42.260 40.800 0.151 0.000 1.351 119 D HN -0.163 nan 8.370 nan 0.000 0.427 120 V N 0.829 120.852 119.914 0.182 0.000 2.577 120 V HA 0.701 4.820 4.120 -0.001 0.000 0.303 120 V C -1.203 175.032 176.094 0.236 0.000 1.042 120 V CA -0.733 61.640 62.300 0.122 0.000 0.872 120 V CB 0.976 32.814 31.823 0.025 0.000 0.998 120 V HN 0.718 nan 8.190 nan 0.000 0.423 121 Y N 1.356 121.688 120.300 0.053 0.000 2.625 121 Y HA 0.738 5.287 4.550 -0.001 0.000 0.338 121 Y C -0.700 175.146 175.900 -0.090 0.000 1.123 121 Y CA -1.471 56.633 58.100 0.006 0.000 1.046 121 Y CB 1.999 40.432 38.460 -0.045 0.000 1.299 121 Y HN 0.456 nan 8.280 nan 0.000 0.464 122 K N 4.328 124.701 120.400 -0.045 0.000 2.404 122 K HA 0.435 4.754 4.320 -0.001 0.000 0.257 122 K C -2.742 173.692 176.600 -0.277 0.000 1.026 122 K CA -2.037 54.002 56.287 -0.413 0.000 0.951 122 K CB 0.873 33.109 32.500 -0.441 0.000 1.203 122 K HN 0.608 nan 8.250 nan 0.000 0.446 123 P HA 0.043 nan 4.420 nan 0.000 0.276 123 P C -1.111 176.076 177.300 -0.188 0.000 1.244 123 P CA -0.397 62.542 63.100 -0.267 0.000 0.801 123 P CB 0.693 32.041 31.700 -0.587 0.000 1.006 124 N N 1.388 120.073 118.700 -0.025 0.000 2.508 124 N HA 0.019 4.758 4.740 -0.001 0.000 0.253 124 N C 0.971 176.498 175.510 0.027 0.000 1.145 124 N CA -0.391 52.663 53.050 0.007 0.000 0.973 124 N CB 0.087 38.602 38.487 0.046 0.000 1.305 124 N HN 0.220 nan 8.380 nan 0.000 0.506 125 K N 1.184 121.568 120.400 -0.026 0.000 2.360 125 K HA -0.092 4.227 4.320 -0.001 0.000 0.201 125 K C 1.319 177.954 176.600 0.057 0.000 1.046 125 K CA 0.996 57.224 56.287 -0.098 0.000 0.945 125 K CB 0.164 32.448 32.500 -0.360 0.000 0.750 125 K HN 0.508 nan 8.250 nan 0.000 0.464 126 T N 1.617 116.299 114.554 0.215 0.000 2.812 126 T HA -0.013 4.336 4.350 -0.001 0.000 0.264 126 T C 1.839 176.639 174.700 0.167 0.000 1.042 126 T CA 0.846 63.116 62.100 0.283 0.000 1.140 126 T CB -0.020 68.964 68.868 0.194 0.000 0.870 126 T HN 0.146 nan 8.240 nan 0.000 0.445 127 I N 0.799 121.431 120.570 0.105 0.000 2.439 127 I HA -0.092 4.077 4.170 -0.001 0.000 0.251 127 I C 2.643 178.782 176.117 0.036 0.000 1.139 127 I CA 1.143 62.480 61.300 0.061 0.000 1.438 127 I CB -0.323 37.702 38.000 0.042 0.000 1.085 127 I HN 0.350 nan 8.210 nan 0.000 0.427 128 E N 1.631 121.868 120.200 0.062 0.000 2.028 128 E HA -0.235 4.114 4.350 -0.001 0.000 0.191 128 E C 2.334 178.946 176.600 0.021 0.000 0.988 128 E CA 1.393 57.813 56.400 0.033 0.000 0.799 128 E CB -0.046 29.752 29.700 0.164 0.000 0.755 128 E HN 0.425 nan 8.360 nan 0.000 0.447 129 A N 0.885 123.785 122.820 0.134 0.000 1.917 129 A HA -0.289 4.031 4.320 -0.001 0.000 0.219 129 A C 2.077 179.748 177.584 0.145 0.000 1.182 129 A CA 2.102 54.285 52.037 0.245 0.000 0.633 129 A CB -0.705 18.492 19.000 0.329 0.000 0.819 129 A HN 0.402 nan 8.150 nan 0.000 0.448 130 E N -0.501 119.756 120.200 0.095 0.000 2.028 130 E HA -0.131 4.219 4.350 -0.001 0.000 0.190 130 E C 2.224 178.817 176.600 -0.013 0.000 0.984 130 E CA 1.159 57.590 56.400 0.053 0.000 0.800 130 E CB -0.121 29.611 29.700 0.054 0.000 0.758 130 E HN 0.372 nan 8.360 nan 0.000 0.448 131 R N -0.089 120.377 120.500 -0.056 0.000 2.092 131 R HA 0.007 4.346 4.340 -0.001 0.000 0.231 131 R C 2.292 178.478 176.300 -0.190 0.000 1.119 131 R CA 1.195 57.233 56.100 -0.103 0.000 0.970 131 R CB -0.656 29.576 30.300 -0.113 0.000 0.864 131 R HN 0.240 nan 8.270 nan 0.000 0.440 132 V N -0.743 118.963 119.914 -0.347 0.000 2.672 132 V HA 0.018 4.137 4.120 -0.001 0.000 0.242 132 V C 1.170 176.851 176.094 -0.689 0.000 1.059 132 V CA 1.014 62.927 62.300 -0.644 0.000 1.081 132 V CB -0.255 30.900 31.823 -1.113 0.000 0.752 132 V HN 0.016 nan 8.190 nan 0.000 0.472 133 F N -0.184 119.693 119.950 -0.123 0.000 2.653 133 F HA 0.466 4.992 4.527 -0.002 0.000 0.304 133 F C 1.360 177.046 175.800 -0.189 0.000 1.092 133 F CA -0.621 57.211 58.000 -0.281 0.000 1.279 133 F CB -0.228 38.394 39.000 -0.632 0.000 1.044 133 F HN -0.046 nan 8.300 nan 0.000 0.564 134 R N -0.521 119.998 120.500 0.032 0.000 3.892 134 R HA -0.208 4.132 4.340 -0.001 0.000 0.441 134 R C 1.523 177.870 176.300 0.078 0.000 1.052 134 R CA 0.513 56.635 56.100 0.037 0.000 1.190 134 R CB -1.976 28.311 30.300 -0.021 0.000 1.808 134 R HN 0.570 nan 8.270 nan 0.000 0.538 135 G N 0.206 109.075 108.800 0.116 0.000 2.234 135 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.260 135 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.260 135 G C -0.137 174.868 174.900 0.174 0.000 0.987 135 G CA 0.317 45.501 45.100 0.140 0.000 0.625 135 G HN 0.467 nan 8.290 nan 0.000 0.532 136 D N 2.034 122.572 120.400 0.230 0.000 2.346 136 D HA 0.258 4.897 4.640 -0.001 0.000 0.260 136 D C -0.094 176.387 176.300 0.301 0.000 1.252 136 D CA -1.078 53.085 54.000 0.272 0.000 0.895 136 D CB 1.280 42.320 40.800 0.400 0.000 1.097 136 D HN 0.216 nan 8.370 nan 0.000 0.489 137 P HA -0.164 nan 4.420 nan 0.000 0.221 137 P C 0.535 177.962 177.300 0.213 0.000 1.141 137 P CA 1.034 64.243 63.100 0.180 0.000 0.794 137 P CB 0.378 32.127 31.700 0.081 0.000 0.764 138 E N -1.876 118.495 120.200 0.285 0.000 2.479 138 E HA -0.038 4.311 4.350 -0.001 0.000 0.193 138 E C 0.489 177.242 176.600 0.255 0.000 1.049 138 E CA -0.289 56.291 56.400 0.299 0.000 0.870 138 E CB -0.384 29.523 29.700 0.346 0.000 0.944 138 E HN 0.475 nan 8.360 nan 0.000 0.492 139 H N 1.239 120.373 119.070 0.108 0.000 3.004 139 H HA -0.012 4.544 4.556 -0.001 0.000 0.316 139 H C -1.730 173.484 175.328 -0.189 0.000 1.014 139 H CA -1.362 54.511 56.048 -0.291 0.000 1.454 139 H CB 1.097 30.783 29.762 -0.126 0.000 1.472 139 H HN -0.127 nan 8.280 nan 0.000 0.571 140 P HA -0.282 nan 4.420 nan 0.000 0.218 140 P C 0.778 178.095 177.300 0.028 0.000 1.152 140 P CA 2.211 65.277 63.100 -0.057 0.000 0.857 140 P CB 0.142 31.752 31.700 -0.150 0.000 0.787 141 A N -1.397 121.450 122.820 0.045 0.000 1.970 141 A HA -0.084 4.235 4.320 -0.001 0.000 0.216 141 A C 2.146 179.540 177.584 -0.316 0.000 1.170 141 A CA 1.025 52.830 52.037 -0.387 0.000 0.645 141 A CB -1.282 16.905 19.000 -1.355 0.000 0.816 141 A HN 0.122 nan 8.150 nan 0.000 0.447 142 I N -1.093 119.401 120.570 -0.125 0.000 2.286 142 I HA -0.153 4.016 4.170 -0.001 0.000 0.245 142 I C 2.758 179.021 176.117 0.244 0.000 1.104 142 I CA 1.258 62.616 61.300 0.097 0.000 1.397 142 I CB -0.284 37.861 38.000 0.242 0.000 1.072 142 I HN 0.373 nan 8.210 nan 0.000 0.417 143 S N 0.331 116.149 115.700 0.198 0.000 2.359 143 S HA -0.273 4.196 4.470 -0.001 0.000 0.224 143 S C 2.172 176.870 174.600 0.164 0.000 1.035 143 S CA 1.554 59.868 58.200 0.191 0.000 1.018 143 S CB -0.410 62.872 63.200 0.137 0.000 0.876 143 S HN 0.477 nan 8.310 nan 0.000 0.448 144 Y N 1.337 121.655 120.300 0.029 0.000 2.145 144 Y HA -0.072 4.478 4.550 -0.001 0.000 0.286 144 Y C 2.114 178.017 175.900 0.004 0.000 1.145 144 Y CA 1.763 59.871 58.100 0.013 0.000 1.148 144 Y CB -0.508 37.935 38.460 -0.027 0.000 0.981 144 Y HN 0.336 nan 8.280 nan 0.000 0.507 145 L N -0.608 120.693 121.223 0.130 0.000 2.127 145 L HA -0.227 4.112 4.340 -0.001 0.000 0.211 145 L C 1.603 178.344 176.870 -0.214 0.000 1.089 145 L CA 1.945 56.764 54.840 -0.036 0.000 0.757 145 L CB -0.822 41.139 42.059 -0.164 0.000 0.899 145 L HN 0.283 nan 8.230 nan 0.000 0.434 146 F N -1.144 118.827 119.950 0.035 0.000 2.383 146 F HA 0.081 4.608 4.527 -0.001 0.000 0.287 146 F C 2.089 177.873 175.800 -0.027 0.000 1.069 146 F CA 1.010 59.017 58.000 0.011 0.000 1.402 146 F CB -0.237 38.778 39.000 0.026 0.000 1.116 146 F HN 0.105 nan 8.300 nan 0.000 0.549 147 N N -0.540 118.241 118.700 0.135 0.000 2.415 147 N HA -0.014 4.725 4.740 -0.001 0.000 0.176 147 N C 1.154 176.614 175.510 -0.083 0.000 1.042 147 N CA 0.594 53.664 53.050 0.034 0.000 0.902 147 N CB 0.484 38.992 38.487 0.036 0.000 0.986 147 N HN 0.036 nan 8.380 nan 0.000 0.447 148 V N 0.205 119.971 119.914 -0.247 0.000 2.996 148 V HA 0.281 4.400 4.120 -0.001 0.000 0.235 148 V C 0.896 176.780 176.094 -0.350 0.000 1.205 148 V CA -0.001 62.050 62.300 -0.414 0.000 1.225 148 V CB -0.264 31.020 31.823 -0.899 0.000 0.995 148 V HN 0.163 nan 8.190 nan 0.000 0.484 149 A N 1.052 123.655 122.820 -0.361 0.000 2.466 149 A HA 0.518 4.837 4.320 -0.001 0.000 0.238 149 A C 0.858 178.456 177.584 0.023 0.000 1.074 149 A CA 0.683 52.686 52.037 -0.057 0.000 0.774 149 A CB -0.302 18.757 19.000 0.098 0.000 1.015 149 A HN 0.500 nan 8.150 nan 0.000 0.498 150 G N -0.298 108.558 108.800 0.094 0.000 2.539 150 G HA2 0.385 4.345 3.960 -0.001 0.000 0.258 150 G HA3 0.385 4.345 3.960 -0.001 0.000 0.258 150 G C -0.056 174.868 174.900 0.039 0.000 1.202 150 G CA -0.232 44.926 45.100 0.097 0.000 0.851 150 G HN 0.648 nan 8.290 nan 0.000 0.556 151 D N -0.947 119.442 120.400 -0.019 0.000 2.349 151 D HA 0.070 4.709 4.640 -0.001 0.000 0.215 151 D C -0.295 175.633 176.300 -0.621 0.000 1.016 151 D CA 0.828 54.653 54.000 -0.292 0.000 0.870 151 D CB 0.178 40.794 40.800 -0.307 0.000 0.917 151 D HN 0.337 nan 8.370 nan 0.000 0.524 152 Y N -0.346 119.843 120.300 -0.185 0.000 2.393 152 Y HA 0.342 4.891 4.550 -0.001 0.000 0.341 152 Y C -0.181 175.584 175.900 -0.224 0.000 0.988 152 Y CA -0.939 56.998 58.100 -0.271 0.000 1.078 152 Y CB 1.197 39.549 38.460 -0.179 0.000 1.203 152 Y HN -0.165 nan 8.280 nan 0.000 0.453 153 Y N 1.844 121.789 120.300 -0.591 0.000 2.360 153 Y HA 0.590 5.140 4.550 -0.001 0.000 0.337 153 Y C -0.503 174.967 175.900 -0.717 0.000 1.039 153 Y CA -1.391 56.239 58.100 -0.784 0.000 1.109 153 Y CB 1.806 39.521 38.460 -1.240 0.000 1.201 153 Y HN 0.159 nan 8.280 nan 0.000 0.458 154 V N 3.088 122.840 119.914 -0.269 0.000 2.326 154 V HA 0.375 4.494 4.120 -0.001 0.000 0.281 154 V C 0.371 176.462 176.094 -0.005 0.000 1.015 154 V CA -0.765 61.458 62.300 -0.130 0.000 0.823 154 V CB 1.002 32.741 31.823 -0.140 0.000 1.009 154 V HN 0.951 nan 8.190 nan 0.000 0.436 155 G N 2.726 111.620 108.800 0.157 0.000 2.415 155 G HA2 0.688 4.647 3.960 -0.001 0.000 0.269 155 G HA3 0.688 4.647 3.960 -0.001 0.000 0.269 155 G C 0.071 175.064 174.900 0.154 0.000 1.209 155 G CA 0.192 45.422 45.100 0.217 0.000 0.835 155 G HN 1.216 nan 8.290 nan 0.000 0.534 156 G N -0.418 108.479 108.800 0.161 0.000 2.387 156 G HA2 0.568 4.527 3.960 -0.001 0.000 0.294 156 G HA3 0.568 4.527 3.960 -0.001 0.000 0.294 156 G C -0.470 174.497 174.900 0.111 0.000 1.509 156 G CA 0.007 45.181 45.100 0.123 0.000 0.806 156 G HN 1.329 nan 8.290 nan 0.000 0.546 157 S N -0.352 115.392 115.700 0.072 0.000 2.586 157 S HA 0.762 5.231 4.470 -0.001 0.000 0.274 157 S C -0.401 174.231 174.600 0.054 0.000 1.281 157 S CA -0.608 57.617 58.200 0.042 0.000 1.035 157 S CB 1.698 64.912 63.200 0.023 0.000 0.962 157 S HN 0.616 nan 8.310 nan 0.000 0.512 158 L N 1.688 122.927 121.223 0.027 0.000 2.334 158 L HA 0.573 4.912 4.340 -0.001 0.000 0.273 158 L C -0.035 176.841 176.870 0.010 0.000 1.013 158 L CA -0.316 54.543 54.840 0.031 0.000 0.816 158 L CB 1.506 43.566 42.059 0.001 0.000 1.278 158 L HN 0.872 nan 8.230 nan 0.000 0.431 159 E N 1.514 121.725 120.200 0.018 0.000 2.210 159 E HA 0.673 5.022 4.350 -0.001 0.000 0.266 159 E C -1.013 175.585 176.600 -0.004 0.000 0.883 159 E CA -0.867 55.534 56.400 0.003 0.000 0.761 159 E CB 2.029 31.734 29.700 0.009 0.000 1.156 159 E HN 0.682 nan 8.360 nan 0.000 0.412 160 A N 3.395 126.203 122.820 -0.021 0.000 2.327 160 A HA 0.399 4.718 4.320 -0.001 0.000 0.283 160 A C 0.374 177.935 177.584 -0.038 0.000 1.127 160 A CA -0.151 51.867 52.037 -0.032 0.000 0.810 160 A CB 0.250 19.224 19.000 -0.044 0.000 1.066 160 A HN 0.772 nan 8.150 nan 0.000 0.492 161 I N -0.152 120.387 120.570 -0.051 0.000 3.132 161 I HA 0.127 4.297 4.170 -0.001 0.000 0.255 161 I C 0.792 176.866 176.117 -0.072 0.000 1.118 161 I CA 0.452 61.713 61.300 -0.065 0.000 1.463 161 I CB 0.200 38.144 38.000 -0.093 0.000 1.356 161 I HN 0.864 nan 8.210 nan 0.000 0.463 162 Q N 0.623 120.373 119.800 -0.082 0.000 2.522 162 Q HA 0.461 4.800 4.340 -0.001 0.000 0.285 162 Q C -1.507 174.442 176.000 -0.086 0.000 0.982 162 Q CA -0.772 54.981 55.803 -0.084 0.000 0.805 162 Q CB 2.159 30.839 28.738 -0.096 0.000 1.457 162 Q HN 0.071 nan 8.270 nan 0.000 0.394 163 L N 1.113 122.287 121.223 -0.083 0.000 2.436 163 L HA 0.431 4.770 4.340 -0.001 0.000 0.265 163 L C -2.025 174.771 176.870 -0.124 0.000 1.168 163 L CA -2.002 52.790 54.840 -0.079 0.000 0.815 163 L CB 0.200 42.228 42.059 -0.051 0.000 1.109 163 L HN 0.483 nan 8.230 nan 0.000 0.462 164 P HA -0.082 nan 4.420 nan 0.000 0.263 164 P C -0.812 176.214 177.300 -0.457 0.000 1.175 164 P CA 0.054 63.004 63.100 -0.251 0.000 0.761 164 P CB 0.364 31.936 31.700 -0.213 0.000 0.794 165 Q N 2.789 122.325 119.800 -0.439 0.000 2.313 165 Q HA 0.164 4.503 4.340 -0.001 0.000 0.266 165 Q C -0.948 174.630 176.000 -0.703 0.000 0.989 165 Q CA 0.618 56.115 55.803 -0.511 0.000 0.890 165 Q CB 0.159 28.647 28.738 -0.417 0.000 1.200 165 Q HN 0.473 nan 8.270 nan 0.000 0.396 166 H N 2.777 121.630 119.070 -0.363 0.000 2.782 166 H HA 0.237 4.792 4.556 -0.001 0.000 0.347 166 H C -0.887 174.248 175.328 -0.322 0.000 1.038 166 H CA -0.526 55.382 56.048 -0.233 0.000 1.255 166 H CB 1.041 30.749 29.762 -0.089 0.000 1.623 166 H HN 0.727 nan 8.280 nan 0.000 0.525 167 Y N -0.118 120.248 120.300 0.110 0.000 2.478 167 Y HA 0.022 4.571 4.550 -0.001 0.000 0.261 167 Y C 0.437 176.335 175.900 -0.003 0.000 1.127 167 Y CA -0.425 57.698 58.100 0.038 0.000 1.288 167 Y CB 0.416 38.880 38.460 0.007 0.000 1.084 167 Y HN 0.621 nan 8.280 nan 0.000 0.530 168 D N -1.831 118.637 120.400 0.113 0.000 2.253 168 D HA 0.050 4.689 4.640 -0.001 0.000 0.249 168 D C -0.333 175.891 176.300 -0.126 0.000 1.049 168 D CA -0.929 52.982 54.000 -0.148 0.000 0.929 168 D CB 0.379 41.046 40.800 -0.221 0.000 1.176 168 D HN 0.140 nan 8.370 nan 0.000 0.437 169 Y N -2.272 118.079 120.300 0.084 0.000 3.108 169 Y HA -0.166 4.383 4.550 -0.001 0.000 0.208 169 Y C -1.651 174.256 175.900 0.010 0.000 1.245 169 Y CA 0.103 58.222 58.100 0.032 0.000 1.171 169 Y CB -2.501 35.962 38.460 0.005 0.000 1.331 169 Y HN 0.449 nan 8.280 nan 0.000 0.534 170 P HA -0.190 nan 4.420 nan 0.000 0.216 170 P C 1.875 179.213 177.300 0.063 0.000 1.150 170 P CA 2.317 65.458 63.100 0.069 0.000 0.843 170 P CB 0.049 31.777 31.700 0.047 0.000 0.787 171 G N -0.718 108.124 108.800 0.070 0.000 2.422 171 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.218 171 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.218 171 G C 1.279 176.202 174.900 0.037 0.000 1.140 171 G CA 0.388 45.516 45.100 0.046 0.000 0.775 171 G HN 0.253 nan 8.290 nan 0.000 0.545 172 L N -0.547 120.705 121.223 0.049 0.000 2.567 172 L HA 0.267 4.606 4.340 -0.001 0.000 0.225 172 L C 1.289 178.170 176.870 0.019 0.000 1.119 172 L CA -0.104 54.740 54.840 0.007 0.000 0.871 172 L CB 0.274 42.304 42.059 -0.047 0.000 1.036 172 L HN -0.002 nan 8.230 nan 0.000 0.459 173 R N 1.421 121.936 120.500 0.025 0.000 4.071 173 R HA 0.122 4.462 4.340 -0.001 0.000 0.220 173 R C -0.368 175.955 176.300 0.039 0.000 1.614 173 R CA -0.284 55.815 56.100 -0.001 0.000 1.505 173 R CB 0.063 30.338 30.300 -0.042 0.000 1.384 173 R HN -0.047 nan 8.270 nan 0.000 0.758 174 K N 1.605 122.051 120.400 0.077 0.000 2.350 174 K HA 0.055 4.374 4.320 -0.001 0.000 0.279 174 K C 0.821 177.503 176.600 0.137 0.000 1.027 174 K CA -0.007 56.327 56.287 0.078 0.000 0.969 174 K CB 0.805 33.346 32.500 0.068 0.000 0.954 174 K HN 0.340 nan 8.250 nan 0.000 0.474 175 T N -0.408 114.168 114.554 0.038 0.000 2.788 175 T HA 0.179 4.528 4.350 -0.001 0.000 0.287 175 T C -1.699 172.908 174.700 -0.155 0.000 1.007 175 T CA -1.617 60.465 62.100 -0.030 0.000 1.005 175 T CB 0.739 69.546 68.868 -0.103 0.000 1.012 175 T HN 0.144 nan 8.240 nan 0.000 0.530 176 P HA -0.054 nan 4.420 nan 0.000 0.215 176 P C 1.666 178.792 177.300 -0.289 0.000 1.153 176 P CA 1.638 64.394 63.100 -0.574 0.000 0.853 176 P CB -0.323 30.956 31.700 -0.702 0.000 0.788 177 A N -0.535 122.148 122.820 -0.229 0.000 1.898 177 A HA -0.254 4.065 4.320 -0.001 0.000 0.216 177 A C 2.227 179.707 177.584 -0.173 0.000 1.181 177 A CA 1.603 53.538 52.037 -0.169 0.000 0.620 177 A CB -1.290 17.631 19.000 -0.131 0.000 0.819 177 A HN 0.193 nan 8.150 nan 0.000 0.442 178 Q N -0.667 119.035 119.800 -0.164 0.000 2.079 178 Q HA -0.036 4.303 4.340 -0.001 0.000 0.200 178 Q C 2.141 177.980 176.000 -0.269 0.000 0.974 178 Q CA 1.203 56.908 55.803 -0.164 0.000 0.840 178 Q CB -0.252 28.423 28.738 -0.104 0.000 0.898 178 Q HN 0.650 nan 8.270 nan 0.000 0.430 179 L N 0.425 121.454 121.223 -0.323 0.000 2.046 179 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 179 L C 2.380 178.715 176.870 -0.892 0.000 1.077 179 L CA 1.333 55.786 54.840 -0.645 0.000 0.747 179 L CB -0.132 41.620 42.059 -0.511 0.000 0.896 179 L HN 0.210 nan 8.230 nan 0.000 0.432 180 R N -0.454 119.744 120.500 -0.504 0.000 2.105 180 R HA -0.185 4.154 4.340 -0.001 0.000 0.239 180 R C 2.193 178.346 176.300 -0.244 0.000 1.135 180 R CA 1.225 57.146 56.100 -0.298 0.000 0.967 180 R CB -0.263 29.961 30.300 -0.128 0.000 0.861 180 R HN 0.359 nan 8.270 nan 0.000 0.442 181 L N 0.438 121.510 121.223 -0.253 0.000 2.156 181 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 181 L C 2.266 178.991 176.870 -0.243 0.000 1.095 181 L CA 0.973 55.699 54.840 -0.189 0.000 0.770 181 L CB -0.314 41.654 42.059 -0.152 0.000 0.914 181 L HN 0.171 nan 8.230 nan 0.000 0.439 182 E N -0.032 119.930 120.200 -0.398 0.000 2.072 182 E HA -0.174 4.175 4.350 -0.001 0.000 0.191 182 E C 2.205 178.538 176.600 -0.446 0.000 0.985 182 E CA 1.253 57.375 56.400 -0.464 0.000 0.801 182 E CB -0.164 29.075 29.700 -0.769 0.000 0.750 182 E HN 0.368 nan 8.360 nan 0.000 0.452 183 F N 1.485 121.159 119.950 -0.459 0.000 2.146 183 F HA -0.112 4.414 4.527 -0.001 0.000 0.298 183 F C 2.656 178.304 175.800 -0.252 0.000 1.096 183 F CA 0.859 58.631 58.000 -0.380 0.000 1.275 183 F CB -1.140 37.788 39.000 -0.121 0.000 1.008 183 F HN 0.084 nan 8.300 nan 0.000 0.480 184 Q N 0.519 120.328 119.800 0.014 0.000 2.084 184 Q HA -0.197 4.143 4.340 -0.001 0.000 0.202 184 Q C 2.294 178.261 176.000 -0.054 0.000 0.978 184 Q CA 2.294 58.095 55.803 -0.003 0.000 0.844 184 Q CB -0.163 28.565 28.738 -0.017 0.000 0.898 184 Q HN 0.446 nan 8.270 nan 0.000 0.426 185 S N -0.399 115.234 115.700 -0.112 0.000 2.447 185 S HA -0.084 4.385 4.470 -0.001 0.000 0.233 185 S C 1.544 176.070 174.600 -0.123 0.000 1.006 185 S CA 0.722 58.859 58.200 -0.106 0.000 0.957 185 S CB -0.108 63.022 63.200 -0.116 0.000 0.773 185 S HN 0.380 nan 8.310 nan 0.000 0.507 186 R N 0.580 120.945 120.500 -0.225 0.000 2.334 186 R HA 0.268 4.607 4.340 -0.001 0.000 0.216 186 R C 0.121 176.407 176.300 -0.024 0.000 0.905 186 R CA 0.212 56.154 56.100 -0.264 0.000 1.064 186 R CB -0.124 29.653 30.300 -0.872 0.000 1.046 186 R HN 0.474 nan 8.270 nan 0.000 0.508 187 Q N -0.757 119.058 119.800 0.025 0.000 2.487 187 Q HA -0.181 4.158 4.340 -0.001 0.000 0.279 187 Q C -1.292 174.871 176.000 0.273 0.000 1.228 187 Q CA 0.389 56.266 55.803 0.123 0.000 0.873 187 Q CB -1.212 27.592 28.738 0.109 0.000 1.260 187 Q HN 0.290 nan 8.270 nan 0.000 0.471 188 W N 1.705 123.002 121.300 -0.004 0.000 2.358 188 W HA 0.218 4.877 4.660 -0.001 0.000 0.307 188 W C 0.770 177.245 176.519 -0.073 0.000 1.203 188 W CA -0.428 56.877 57.345 -0.067 0.000 1.279 188 W CB 0.311 29.679 29.460 -0.154 0.000 1.264 188 W HN 0.240 nan 8.180 nan 0.000 0.474 189 D N 1.095 121.569 120.400 0.122 0.000 2.433 189 D HA 0.079 4.718 4.640 -0.001 0.000 0.211 189 D C 0.166 176.479 176.300 0.022 0.000 1.114 189 D CA -0.004 54.038 54.000 0.070 0.000 0.837 189 D CB 0.213 41.051 40.800 0.063 0.000 0.984 189 D HN 0.216 nan 8.370 nan 0.000 0.505 190 R N 0.261 120.736 120.500 -0.043 0.000 2.483 190 R HA 0.655 4.994 4.340 -0.001 0.000 0.303 190 R C -1.578 174.598 176.300 -0.207 0.000 0.987 190 R CA -0.715 55.347 56.100 -0.062 0.000 0.881 190 R CB 2.810 33.062 30.300 -0.080 0.000 1.177 190 R HN -0.130 nan 8.270 nan 0.000 0.451 191 V N 3.423 123.238 119.914 -0.165 0.000 2.623 191 V HA 0.304 4.423 4.120 -0.001 0.000 0.304 191 V C -0.793 175.247 176.094 -0.091 0.000 1.054 191 V CA -0.881 61.248 62.300 -0.286 0.000 0.882 191 V CB 2.251 33.731 31.823 -0.571 0.000 1.002 191 V HN 0.493 nan 8.190 nan 0.000 0.424 192 V N 5.206 125.060 119.914 -0.101 0.000 2.370 192 V HA 0.879 4.999 4.120 -0.001 0.000 0.283 192 V C 0.439 176.600 176.094 0.112 0.000 1.023 192 V CA -0.100 62.230 62.300 0.050 0.000 0.857 192 V CB 1.399 33.212 31.823 -0.017 0.000 0.985 192 V HN 1.108 nan 8.190 nan 0.000 0.443 193 A N 6.590 129.555 122.820 0.242 0.000 2.310 193 A HA 0.750 5.069 4.320 -0.001 0.000 0.299 193 A C -0.948 176.882 177.584 0.410 0.000 1.147 193 A CA -0.431 51.792 52.037 0.311 0.000 0.818 193 A CB 0.694 19.891 19.000 0.330 0.000 1.096 193 A HN 1.043 nan 8.150 nan 0.000 0.495 194 F N 2.146 122.196 119.950 0.168 0.000 2.427 194 F HA 0.533 5.059 4.527 -0.002 0.000 0.348 194 F C 0.036 175.899 175.800 0.105 0.000 1.125 194 F CA -0.771 57.291 58.000 0.103 0.000 0.989 194 F CB 1.749 40.782 39.000 0.055 0.000 1.165 194 F HN 0.676 nan 8.300 nan 0.000 0.442 195 Q N 4.399 123.930 119.800 -0.449 0.000 2.259 195 Q HA 0.601 4.940 4.340 -0.001 0.000 0.249 195 Q C -1.054 174.398 176.000 -0.914 0.000 0.914 195 Q CA -0.016 55.521 55.803 -0.442 0.000 0.904 195 Q CB 1.661 30.375 28.738 -0.039 0.000 1.213 195 Q HN 0.782 nan 8.270 nan 0.000 0.428 196 T N 2.322 116.501 114.554 -0.625 0.000 2.957 196 T HA 0.545 4.894 4.350 -0.001 0.000 0.336 196 T C -1.224 173.319 174.700 -0.261 0.000 1.462 196 T CA -0.605 61.197 62.100 -0.497 0.000 1.073 196 T CB 0.660 69.251 68.868 -0.461 0.000 1.319 196 T HN 0.839 nan 8.240 nan 0.000 0.485 197 R N 1.937 122.347 120.500 -0.150 0.000 2.616 197 R HA 0.482 4.821 4.340 -0.001 0.000 0.427 197 R C -0.182 176.118 176.300 0.000 0.000 1.030 197 R CA -0.683 55.382 56.100 -0.059 0.000 1.133 197 R CB -0.068 30.188 30.300 -0.074 0.000 1.444 197 R HN 0.367 nan 8.270 nan 0.000 0.578 198 N N 0.356 119.067 118.700 0.018 0.000 2.629 198 N HA 0.466 5.206 4.740 -0.001 0.000 0.279 198 N C -3.003 172.505 175.510 -0.003 0.000 1.344 198 N CA -2.105 50.947 53.050 0.004 0.000 0.789 198 N CB 1.983 40.461 38.487 -0.016 0.000 1.508 198 N HN -0.179 nan 8.380 nan 0.000 0.516 199 P HA 0.180 nan 4.420 nan 0.000 0.272 199 P C -1.011 176.093 177.300 -0.326 0.000 1.230 199 P CA 0.224 63.175 63.100 -0.249 0.000 0.788 199 P CB 0.588 32.130 31.700 -0.264 0.000 0.949 200 M N 2.036 121.492 119.600 -0.241 0.000 2.227 200 M HA 0.291 4.770 4.480 -0.001 0.000 0.335 200 M C 0.133 176.325 176.300 -0.179 0.000 1.053 200 M CA -0.394 54.820 55.300 -0.143 0.000 0.973 200 M CB 1.047 33.740 32.600 0.156 0.000 1.623 200 M HN 0.417 nan 8.290 nan 0.000 0.434 201 H N 0.583 119.852 119.070 0.333 0.000 2.748 201 H HA 0.376 4.932 4.556 -0.001 0.000 0.315 201 H C 0.570 175.783 175.328 -0.192 0.000 1.429 201 H CA -0.674 55.303 56.048 -0.117 0.000 1.444 201 H CB 0.772 30.204 29.762 -0.549 0.000 1.827 201 H HN 0.545 nan 8.280 nan 0.000 0.754 202 R N 0.786 121.099 120.500 -0.311 0.000 2.103 202 R HA -0.156 4.184 4.340 -0.001 0.000 0.242 202 R C 2.093 178.120 176.300 -0.454 0.000 1.142 202 R CA 1.908 57.722 56.100 -0.476 0.000 0.960 202 R CB -0.771 29.196 30.300 -0.555 0.000 0.858 202 R HN 0.695 nan 8.270 nan 0.000 0.439 203 A N -0.009 122.591 122.820 -0.367 0.000 1.940 203 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 203 A C 1.808 179.164 177.584 -0.380 0.000 1.176 203 A CA 1.829 53.660 52.037 -0.345 0.000 0.631 203 A CB -0.797 18.040 19.000 -0.273 0.000 0.814 203 A HN 0.496 nan 8.150 nan 0.000 0.446 204 H N -1.240 117.760 119.070 -0.115 0.000 2.395 204 H HA -0.045 4.511 4.556 -0.001 0.000 0.299 204 H C 2.274 177.437 175.328 -0.275 0.000 1.070 204 H CA 1.379 57.322 56.048 -0.174 0.000 1.356 204 H CB -0.264 29.452 29.762 -0.077 0.000 1.401 204 H HN 0.398 nan 8.280 nan 0.000 0.524 205 R N 1.524 121.954 120.500 -0.117 0.000 2.073 205 R HA -0.126 4.213 4.340 -0.001 0.000 0.234 205 R C 1.738 177.844 176.300 -0.324 0.000 1.134 205 R CA 1.171 57.124 56.100 -0.244 0.000 0.952 205 R CB 0.041 30.201 30.300 -0.232 0.000 0.850 205 R HN 0.314 nan 8.270 nan 0.000 0.433 206 E N 1.135 121.133 120.200 -0.338 0.000 2.051 206 E HA -0.191 4.158 4.350 -0.001 0.000 0.192 206 E C 2.094 178.567 176.600 -0.212 0.000 0.991 206 E CA 1.459 57.675 56.400 -0.306 0.000 0.799 206 E CB -0.525 28.935 29.700 -0.400 0.000 0.748 206 E HN 0.440 nan 8.360 nan 0.000 0.449 207 L N 0.634 121.731 121.223 -0.210 0.000 2.083 207 L HA -0.094 4.245 4.340 -0.001 0.000 0.209 207 L C 2.265 179.048 176.870 -0.144 0.000 1.083 207 L CA 2.543 57.277 54.840 -0.176 0.000 0.752 207 L CB -1.512 40.431 42.059 -0.194 0.000 0.899 207 L HN 0.061 nan 8.230 nan 0.000 0.433 208 T N -3.134 111.314 114.554 -0.177 0.000 2.857 208 T HA -0.044 4.305 4.350 -0.001 0.000 0.266 208 T C 1.856 176.545 174.700 -0.019 0.000 1.048 208 T CA 1.235 63.270 62.100 -0.108 0.000 1.139 208 T CB -1.121 67.664 68.868 -0.139 0.000 0.874 208 T HN 0.192 nan 8.240 nan 0.000 0.455 209 V N 1.886 121.782 119.914 -0.030 0.000 2.407 209 V HA -0.121 3.998 4.120 -0.001 0.000 0.248 209 V C 2.941 179.000 176.094 -0.058 0.000 1.055 209 V CA 1.736 64.020 62.300 -0.027 0.000 1.049 209 V CB -0.711 31.049 31.823 -0.105 0.000 0.662 209 V HN 0.441 nan 8.190 nan 0.000 0.455 210 R N 0.270 120.724 120.500 -0.076 0.000 2.092 210 R HA -0.055 4.284 4.340 -0.001 0.000 0.231 210 R C 2.460 178.723 176.300 -0.061 0.000 1.119 210 R CA 1.361 57.420 56.100 -0.067 0.000 0.970 210 R CB -0.598 29.659 30.300 -0.072 0.000 0.864 210 R HN 0.520 nan 8.270 nan 0.000 0.440 211 A N 1.399 124.185 122.820 -0.057 0.000 1.902 211 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 211 A C 2.385 179.920 177.584 -0.082 0.000 1.181 211 A CA 1.742 53.751 52.037 -0.047 0.000 0.623 211 A CB -0.702 18.291 19.000 -0.013 0.000 0.818 211 A HN 0.394 nan 8.150 nan 0.000 0.443 212 A N -0.553 122.214 122.820 -0.087 0.000 1.902 212 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 212 A C 2.258 179.764 177.584 -0.130 0.000 1.181 212 A CA 1.715 53.673 52.037 -0.132 0.000 0.623 212 A CB -0.480 18.451 19.000 -0.116 0.000 0.818 212 A HN 0.547 nan 8.150 nan 0.000 0.443 213 R N -0.567 119.878 120.500 -0.093 0.000 2.073 213 R HA -0.130 4.209 4.340 -0.001 0.000 0.234 213 R C 1.928 178.181 176.300 -0.079 0.000 1.134 213 R CA 1.565 57.617 56.100 -0.080 0.000 0.952 213 R CB -0.149 30.115 30.300 -0.060 0.000 0.850 213 R HN 0.450 nan 8.270 nan 0.000 0.433 214 E N -0.033 120.124 120.200 -0.072 0.000 2.106 214 E HA -0.109 4.240 4.350 -0.001 0.000 0.192 214 E C 1.469 178.023 176.600 -0.076 0.000 0.984 214 E CA 1.252 57.617 56.400 -0.059 0.000 0.806 214 E CB -0.042 29.634 29.700 -0.040 0.000 0.750 214 E HN 0.413 nan 8.360 nan 0.000 0.458 215 A N 0.556 123.296 122.820 -0.133 0.000 2.275 215 A HA 0.047 4.366 4.320 -0.001 0.000 0.212 215 A C 0.160 177.600 177.584 -0.240 0.000 1.201 215 A CA 0.098 52.002 52.037 -0.221 0.000 0.843 215 A CB -0.587 18.147 19.000 -0.445 0.000 0.873 215 A HN 0.304 nan 8.150 nan 0.000 0.492 216 N N -1.388 117.209 118.700 -0.172 0.000 2.714 216 N HA -0.154 4.586 4.740 -0.001 0.000 0.252 216 N C -0.181 175.198 175.510 -0.218 0.000 1.014 216 N CA 0.536 53.492 53.050 -0.155 0.000 0.735 216 N CB -0.962 37.465 38.487 -0.100 0.000 0.924 216 N HN 0.781 nan 8.380 nan 0.000 0.540 217 A N -0.512 122.140 122.820 -0.281 0.000 2.479 217 A HA 0.729 5.048 4.320 -0.001 0.000 0.296 217 A C -0.156 177.194 177.584 -0.391 0.000 1.121 217 A CA -0.779 51.050 52.037 -0.346 0.000 0.743 217 A CB 1.432 20.177 19.000 -0.424 0.000 1.323 217 A HN 0.000 nan 8.150 nan 0.000 0.415 218 K N 0.046 120.111 120.400 -0.558 0.000 2.090 218 K HA 0.535 4.854 4.320 -0.001 0.000 0.250 218 K C -0.602 175.688 176.600 -0.516 0.000 1.004 218 K CA -0.351 55.464 56.287 -0.788 0.000 0.919 218 K CB 1.439 32.883 32.500 -1.759 0.000 1.045 218 K HN 0.404 nan 8.250 nan 0.000 0.471 219 V N 2.544 122.214 119.914 -0.406 0.000 2.427 219 V HA 0.244 4.363 4.120 -0.001 0.000 0.286 219 V C -0.386 175.686 176.094 -0.037 0.000 1.034 219 V CA -0.925 61.265 62.300 -0.184 0.000 0.893 219 V CB 1.277 33.002 31.823 -0.163 0.000 0.982 219 V HN 0.474 nan 8.190 nan 0.000 0.452 220 L N 7.014 128.266 121.223 0.048 0.000 2.294 220 L HA 0.593 4.932 4.340 -0.001 0.000 0.283 220 L C -0.422 176.542 176.870 0.156 0.000 1.015 220 L CA 0.177 55.124 54.840 0.178 0.000 0.831 220 L CB 0.927 43.104 42.059 0.196 0.000 1.217 220 L HN 0.536 nan 8.230 nan 0.000 0.420 221 I N 5.246 125.882 120.570 0.109 0.000 2.337 221 I HA 0.174 4.343 4.170 -0.001 0.000 0.291 221 I C -0.021 176.138 176.117 0.071 0.000 1.046 221 I CA -0.007 61.345 61.300 0.088 0.000 1.324 221 I CB 0.327 38.298 38.000 -0.048 0.000 1.409 221 I HN 0.637 nan 8.210 nan 0.000 0.494 222 H N 8.019 127.029 119.070 -0.101 0.000 2.336 222 H HA 0.304 4.859 4.556 -0.001 0.000 0.230 222 H C -2.428 172.705 175.328 -0.325 0.000 1.426 222 H CA -2.073 53.856 56.048 -0.198 0.000 1.359 222 H CB 0.832 30.500 29.762 -0.157 0.000 1.555 222 H HN 0.351 nan 8.280 nan 0.000 0.512 223 P HA -0.022 nan 4.420 nan 0.000 0.271 223 P C 0.052 177.112 177.300 -0.399 0.000 1.218 223 P CA -0.178 62.645 63.100 -0.462 0.000 0.780 223 P CB 2.173 33.469 31.700 -0.674 0.000 0.901 224 V N 3.559 123.274 119.914 -0.331 0.000 2.488 224 V HA 0.064 4.183 4.120 -0.001 0.000 0.277 224 V C 1.464 177.432 176.094 -0.210 0.000 1.046 224 V CA 0.147 62.263 62.300 -0.307 0.000 0.986 224 V CB 1.081 32.748 31.823 -0.259 0.000 0.989 224 V HN 0.533 nan 8.190 nan 0.000 0.475 225 V N 1.706 121.461 119.914 -0.266 0.000 3.253 225 V HA 0.523 4.642 4.120 -0.001 0.000 0.320 225 V C 0.973 176.838 176.094 -0.382 0.000 1.442 225 V CA 0.745 62.852 62.300 -0.322 0.000 1.097 225 V CB -0.015 31.561 31.823 -0.412 0.000 1.008 225 V HN 0.737 nan 8.190 nan 0.000 0.463 226 G N 1.217 109.877 108.800 -0.233 0.000 2.908 226 G HA2 0.424 4.384 3.960 -0.001 0.000 0.188 226 G HA3 0.424 4.384 3.960 -0.001 0.000 0.188 226 G C 0.039 174.902 174.900 -0.062 0.000 1.903 226 G CA -0.451 44.564 45.100 -0.142 0.000 0.883 226 G HN 0.334 nan 8.290 nan 0.000 0.515 227 L N 1.137 122.348 121.223 -0.020 0.000 2.317 227 L HA 0.512 4.851 4.340 -0.001 0.000 0.281 227 L C 0.729 177.600 176.870 0.001 0.000 1.024 227 L CA -0.634 54.212 54.840 0.010 0.000 0.810 227 L CB 2.185 44.251 42.059 0.011 0.000 1.240 227 L HN 0.685 nan 8.230 nan 0.000 0.427 228 T N -1.023 113.538 114.554 0.011 0.000 2.572 228 T HA 0.330 4.679 4.350 -0.001 0.000 0.244 228 T C -0.237 174.465 174.700 0.005 0.000 0.860 228 T CA -0.801 61.300 62.100 0.002 0.000 1.125 228 T CB 1.007 69.872 68.868 -0.005 0.000 1.491 228 T HN 0.375 nan 8.240 nan 0.000 0.532 229 K N 1.973 122.372 120.400 -0.002 0.000 2.270 229 K HA 0.379 4.698 4.320 -0.001 0.000 0.276 229 K C -2.546 174.061 176.600 0.012 0.000 1.023 229 K CA -1.908 54.374 56.287 -0.008 0.000 0.955 229 K CB 0.201 32.691 32.500 -0.017 0.000 0.975 229 K HN 0.244 nan 8.250 nan 0.000 0.471 230 P HA 0.003 nan 4.420 nan 0.000 0.265 230 P C 0.135 177.455 177.300 0.033 0.000 1.193 230 P CA 0.769 63.889 63.100 0.033 0.000 0.765 230 P CB 0.671 32.394 31.700 0.038 0.000 0.823 231 G N 1.603 110.426 108.800 0.037 0.000 2.195 231 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.246 231 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.246 231 G C 0.117 175.037 174.900 0.035 0.000 0.984 231 G CA -0.271 44.851 45.100 0.037 0.000 0.633 231 G HN 0.490 nan 8.290 nan 0.000 0.525 232 D N 0.306 120.725 120.400 0.032 0.000 2.361 232 D HA 0.384 5.023 4.640 -0.001 0.000 0.239 232 D C 1.485 177.801 176.300 0.025 0.000 1.200 232 D CA -0.192 53.825 54.000 0.028 0.000 0.915 232 D CB 0.487 41.301 40.800 0.023 0.000 1.170 232 D HN 0.343 nan 8.370 nan 0.000 0.444 233 I N 1.564 122.145 120.570 0.018 0.000 2.692 233 I HA -0.058 4.111 4.170 -0.001 0.000 0.284 233 I C 1.218 177.335 176.117 -0.001 0.000 1.159 233 I CA -0.217 61.085 61.300 0.004 0.000 1.423 233 I CB 0.300 38.293 38.000 -0.012 0.000 1.380 233 I HN 0.357 nan 8.210 nan 0.000 0.580 234 D N 6.492 126.886 120.400 -0.010 0.000 2.423 234 D HA -0.123 4.516 4.640 -0.001 0.000 0.238 234 D C 1.180 177.438 176.300 -0.070 0.000 1.142 234 D CA -0.133 53.847 54.000 -0.033 0.000 0.884 234 D CB 0.651 41.426 40.800 -0.041 0.000 1.199 234 D HN 0.717 nan 8.370 nan 0.000 0.438 235 H N 1.501 120.537 119.070 -0.056 0.000 2.489 235 H HA -0.150 4.406 4.556 -0.001 0.000 0.293 235 H C 1.026 176.247 175.328 -0.177 0.000 1.066 235 H CA 0.981 56.947 56.048 -0.137 0.000 1.305 235 H CB -0.399 29.263 29.762 -0.167 0.000 1.386 235 H HN 0.548 nan 8.280 nan 0.000 0.551 236 H N 1.030 119.971 119.070 -0.215 0.000 2.326 236 H HA -0.051 4.505 4.556 -0.001 0.000 0.301 236 H C 1.983 177.296 175.328 -0.025 0.000 1.081 236 H CA 1.887 57.940 56.048 0.008 0.000 1.334 236 H CB -0.155 29.574 29.762 -0.055 0.000 1.385 236 H HN 0.392 nan 8.280 nan 0.000 0.504 237 T N 1.230 115.798 114.554 0.023 0.000 2.708 237 T HA -0.110 4.239 4.350 -0.001 0.000 0.266 237 T C 2.173 176.774 174.700 -0.166 0.000 1.037 237 T CA 1.030 63.104 62.100 -0.045 0.000 1.146 237 T CB -0.018 68.823 68.868 -0.044 0.000 0.865 237 T HN 0.351 nan 8.240 nan 0.000 0.435 238 R N 0.342 120.701 120.500 -0.235 0.000 2.081 238 R HA -0.035 4.304 4.340 -0.001 0.000 0.235 238 R C 2.523 178.324 176.300 -0.831 0.000 1.131 238 R CA 1.006 56.777 56.100 -0.548 0.000 0.960 238 R CB -0.754 29.305 30.300 -0.401 0.000 0.856 238 R HN 0.245 nan 8.270 nan 0.000 0.436 239 V N 1.105 120.780 119.914 -0.398 0.000 2.407 239 V HA -0.252 3.867 4.120 -0.001 0.000 0.248 239 V C 2.346 178.300 176.094 -0.235 0.000 1.055 239 V CA 1.683 63.804 62.300 -0.299 0.000 1.049 239 V CB -0.505 30.996 31.823 -0.537 0.000 0.662 239 V HN 0.311 nan 8.190 nan 0.000 0.455 240 R N -0.511 119.896 120.500 -0.155 0.000 2.096 240 R HA -0.126 4.213 4.340 -0.001 0.000 0.235 240 R C 2.249 178.474 176.300 -0.125 0.000 1.127 240 R CA 1.440 57.494 56.100 -0.076 0.000 0.968 240 R CB -0.530 29.756 30.300 -0.022 0.000 0.861 240 R HN 0.414 nan 8.270 nan 0.000 0.440 241 V N 0.204 119.972 119.914 -0.244 0.000 2.343 241 V HA -0.263 3.856 4.120 -0.001 0.000 0.247 241 V C 1.867 177.875 176.094 -0.144 0.000 1.051 241 V CA 1.714 63.874 62.300 -0.234 0.000 1.036 241 V CB -0.577 31.031 31.823 -0.357 0.000 0.654 241 V HN 0.343 nan 8.190 nan 0.000 0.451 242 Y N 0.125 120.387 120.300 -0.065 0.000 2.242 242 Y HA -0.236 4.313 4.550 -0.002 0.000 0.291 242 Y C 2.748 178.607 175.900 -0.068 0.000 1.137 242 Y CA 1.142 59.206 58.100 -0.060 0.000 1.181 242 Y CB -0.297 38.110 38.460 -0.087 0.000 0.989 242 Y HN 0.259 nan 8.280 nan 0.000 0.527 243 Q N -0.004 119.827 119.800 0.053 0.000 2.170 243 Q HA -0.218 4.121 4.340 -0.001 0.000 0.203 243 Q C 1.947 177.942 176.000 -0.008 0.000 0.976 243 Q CA 1.555 57.358 55.803 0.000 0.000 0.858 243 Q CB -0.057 28.672 28.738 -0.016 0.000 0.907 243 Q HN 0.366 nan 8.270 nan 0.000 0.433 244 E N 1.167 121.358 120.200 -0.015 0.000 2.051 244 E HA -0.082 4.267 4.350 -0.001 0.000 0.189 244 E C 1.614 178.178 176.600 -0.061 0.000 0.979 244 E CA 0.731 57.108 56.400 -0.039 0.000 0.803 244 E CB -0.154 29.522 29.700 -0.040 0.000 0.761 244 E HN 0.311 nan 8.360 nan 0.000 0.451 245 I N 0.002 120.565 120.570 -0.011 0.000 2.493 245 I HA -0.152 4.017 4.170 -0.001 0.000 0.254 245 I C 1.976 178.167 176.117 0.122 0.000 1.160 245 I CA 0.462 61.759 61.300 -0.005 0.000 1.445 245 I CB 0.040 38.117 38.000 0.127 0.000 1.086 245 I HN 0.198 nan 8.210 nan 0.000 0.433 246 I N 1.053 121.691 120.570 0.114 0.000 2.567 246 I HA -0.285 3.884 4.170 -0.001 0.000 0.257 246 I C 2.050 178.240 176.117 0.122 0.000 1.184 246 I CA 1.629 62.981 61.300 0.087 0.000 1.451 246 I CB -0.320 37.642 38.000 -0.063 0.000 1.089 246 I HN 0.066 nan 8.210 nan 0.000 0.441 247 K N -0.123 120.297 120.400 0.034 0.000 2.486 247 K HA 0.036 4.355 4.320 -0.001 0.000 0.194 247 K C 1.185 177.765 176.600 -0.034 0.000 1.033 247 K CA 0.269 56.553 56.287 -0.005 0.000 1.004 247 K CB 0.104 32.575 32.500 -0.048 0.000 0.798 247 K HN 0.165 nan 8.250 nan 0.000 0.495 248 R N 0.090 120.545 120.500 -0.076 0.000 2.359 248 R HA 0.131 4.470 4.340 -0.001 0.000 0.231 248 R C -0.127 176.096 176.300 -0.129 0.000 0.913 248 R CA 0.118 56.088 56.100 -0.217 0.000 1.075 248 R CB -0.329 29.573 30.300 -0.663 0.000 1.087 248 R HN 0.119 nan 8.270 nan 0.000 0.515 249 Y N 1.510 121.766 120.300 -0.074 0.000 2.354 249 Y HA 0.325 4.875 4.550 -0.001 0.000 0.322 249 Y C -1.540 174.346 175.900 -0.024 0.000 1.253 249 Y CA -2.761 55.316 58.100 -0.039 0.000 1.272 249 Y CB 0.153 38.595 38.460 -0.030 0.000 1.255 249 Y HN -0.068 nan 8.280 nan 0.000 0.500 250 P HA 0.021 nan 4.420 nan 0.000 0.268 250 P C -1.033 176.325 177.300 0.097 0.000 1.205 250 P CA -0.223 62.923 63.100 0.076 0.000 0.771 250 P CB 0.444 32.171 31.700 0.045 0.000 0.858 251 N N 1.414 120.159 118.700 0.075 0.000 2.292 251 N HA 0.208 4.947 4.740 -0.001 0.000 0.258 251 N C 1.593 177.166 175.510 0.105 0.000 1.261 251 N CA 1.734 54.834 53.050 0.083 0.000 0.845 251 N CB -0.522 38.002 38.487 0.063 0.000 1.064 251 N HN 0.780 nan 8.380 nan 0.000 0.471 252 G N 1.020 109.909 108.800 0.147 0.000 2.162 252 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.260 252 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.260 252 G C 0.645 175.681 174.900 0.227 0.000 0.976 252 G CA -0.052 45.185 45.100 0.229 0.000 0.655 252 G HN 0.520 nan 8.290 nan 0.000 0.533 253 I N 0.370 121.011 120.570 0.117 0.000 3.265 253 I HA 0.460 4.629 4.170 -0.001 0.000 0.282 253 I C 1.580 177.626 176.117 -0.119 0.000 1.207 253 I CA 1.477 62.752 61.300 -0.043 0.000 1.449 253 I CB -0.085 37.925 38.000 0.016 0.000 1.121 253 I HN 0.483 nan 8.210 nan 0.000 0.442 254 A N -0.116 122.728 122.820 0.040 0.000 2.423 254 A HA 0.663 4.982 4.320 -0.001 0.000 0.304 254 A C -1.528 176.242 177.584 0.309 0.000 1.104 254 A CA -0.360 51.678 52.037 0.001 0.000 0.757 254 A CB 1.975 20.681 19.000 -0.490 0.000 1.313 254 A HN 0.056 nan 8.150 nan 0.000 0.423 255 F N 0.683 120.732 119.950 0.165 0.000 2.569 255 F HA 0.630 5.157 4.527 -0.001 0.000 0.312 255 F C -1.346 174.486 175.800 0.053 0.000 1.109 255 F CA -0.863 57.242 58.000 0.175 0.000 0.919 255 F CB 1.924 41.135 39.000 0.351 0.000 1.211 255 F HN 0.568 nan 8.300 nan 0.000 0.446 256 L N 5.001 126.037 121.223 -0.311 0.000 2.296 256 L HA 0.745 5.084 4.340 -0.001 0.000 0.286 256 L C -1.032 175.761 176.870 -0.130 0.000 1.023 256 L CA 0.098 54.841 54.840 -0.162 0.000 0.812 256 L CB 1.456 43.391 42.059 -0.208 0.000 1.223 256 L HN 0.531 nan 8.230 nan 0.000 0.421 257 S N 4.884 120.647 115.700 0.105 0.000 2.540 257 S HA 0.714 5.183 4.470 -0.001 0.000 0.275 257 S C -1.112 173.542 174.600 0.089 0.000 1.123 257 S CA -0.732 57.565 58.200 0.162 0.000 0.907 257 S CB 0.908 64.290 63.200 0.304 0.000 1.081 257 S HN 0.625 nan 8.310 nan 0.000 0.476 258 L N 3.785 124.992 121.223 -0.028 0.000 2.307 258 L HA 0.602 4.941 4.340 -0.001 0.000 0.282 258 L C -0.641 176.072 176.870 -0.262 0.000 1.051 258 L CA -0.969 53.769 54.840 -0.169 0.000 0.804 258 L CB 1.228 43.169 42.059 -0.195 0.000 1.197 258 L HN 0.504 nan 8.230 nan 0.000 0.431 259 L N 6.610 127.544 121.223 -0.481 0.000 2.276 259 L HA 0.463 4.803 4.340 -0.001 0.000 0.286 259 L C -2.023 174.598 176.870 -0.415 0.000 1.024 259 L CA -1.606 52.863 54.840 -0.620 0.000 0.826 259 L CB 1.163 42.556 42.059 -1.110 0.000 1.211 259 L HN 0.271 nan 8.230 nan 0.000 0.422 260 P HA 0.030 nan 4.420 nan 0.000 0.254 260 P C -0.176 177.020 177.300 -0.173 0.000 1.631 260 P CA -0.221 62.737 63.100 -0.236 0.000 0.861 260 P CB 0.031 31.622 31.700 -0.180 0.000 1.663 261 L N 0.808 121.897 121.223 -0.222 0.000 2.417 261 L HA 0.458 4.797 4.340 -0.001 0.000 0.268 261 L C 0.136 176.978 176.870 -0.048 0.000 1.158 261 L CA -0.329 54.422 54.840 -0.149 0.000 0.819 261 L CB 0.676 42.561 42.059 -0.290 0.000 1.112 261 L HN 0.025 nan 8.230 nan 0.000 0.458 262 A N 6.640 129.516 122.820 0.094 0.000 2.341 262 A HA 0.521 4.840 4.320 -0.001 0.000 0.326 262 A C -0.053 177.665 177.584 0.222 0.000 1.402 262 A CA -0.636 51.471 52.037 0.117 0.000 0.957 262 A CB -0.242 18.837 19.000 0.132 0.000 1.151 262 A HN 0.801 nan 8.150 nan 0.000 0.533 263 M N 1.100 120.789 119.600 0.150 0.000 2.245 263 M HA 0.201 4.680 4.480 -0.001 0.000 0.330 263 M C 1.110 177.532 176.300 0.203 0.000 1.098 263 M CA 0.155 55.607 55.300 0.253 0.000 1.172 263 M CB 0.581 33.268 32.600 0.146 0.000 1.467 263 M HN 0.661 nan 8.290 nan 0.000 0.454 264 R N 0.991 121.647 120.500 0.259 0.000 2.365 264 R HA 0.277 4.616 4.340 -0.001 0.000 0.223 264 R C -0.315 176.045 176.300 0.101 0.000 0.899 264 R CA 0.219 56.381 56.100 0.103 0.000 1.059 264 R CB 0.306 30.700 30.300 0.157 0.000 1.086 264 R HN 0.686 nan 8.270 nan 0.000 0.522 265 M N -0.088 119.576 119.600 0.106 0.000 2.360 265 M HA -0.195 4.284 4.480 -0.001 0.000 0.202 265 M C 0.212 176.595 176.300 0.138 0.000 0.390 265 M CA 0.622 55.936 55.300 0.025 0.000 0.470 265 M CB -2.800 29.733 32.600 -0.111 0.000 1.637 265 M HN 0.037 nan 8.290 nan 0.000 0.885 266 S N -0.512 115.311 115.700 0.205 0.000 2.582 266 S HA 0.469 4.938 4.470 -0.001 0.000 0.249 266 S C 1.615 176.113 174.600 -0.169 0.000 1.072 266 S CA 0.901 59.298 58.200 0.328 0.000 1.115 266 S CB -0.346 63.115 63.200 0.436 0.000 0.790 266 S HN 1.018 nan 8.310 nan 0.000 0.459 267 G N 3.122 111.544 108.800 -0.630 0.000 2.700 267 G HA2 -0.490 3.469 3.960 -0.001 0.000 0.350 267 G HA3 -0.490 3.469 3.960 -0.001 0.000 0.350 267 G C 0.750 175.360 174.900 -0.483 0.000 1.250 267 G CA 1.156 45.650 45.100 -1.011 0.000 0.978 267 G HN 0.667 nan 8.290 nan 0.000 0.551 268 D N 0.485 120.641 120.400 -0.406 0.000 2.104 268 D HA -0.110 4.529 4.640 -0.001 0.000 0.194 268 D C 2.339 178.600 176.300 -0.064 0.000 0.994 268 D CA 1.862 55.793 54.000 -0.115 0.000 0.830 268 D CB -0.710 40.099 40.800 0.015 0.000 0.959 268 D HN 0.634 nan 8.370 nan 0.000 0.452 269 R N 0.201 120.675 120.500 -0.043 0.000 2.096 269 R HA -0.123 4.217 4.340 -0.001 0.000 0.235 269 R C 2.442 178.691 176.300 -0.085 0.000 1.127 269 R CA 1.503 57.568 56.100 -0.059 0.000 0.968 269 R CB -0.290 29.950 30.300 -0.100 0.000 0.861 269 R HN 0.414 nan 8.270 nan 0.000 0.440 270 E N 0.589 120.740 120.200 -0.080 0.000 2.106 270 E HA -0.147 4.202 4.350 -0.001 0.000 0.192 270 E C 1.869 178.340 176.600 -0.216 0.000 0.984 270 E CA 1.118 57.495 56.400 -0.038 0.000 0.806 270 E CB -0.011 29.657 29.700 -0.054 0.000 0.750 270 E HN 0.341 nan 8.360 nan 0.000 0.458 271 A N 0.337 123.048 122.820 -0.182 0.000 1.908 271 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 271 A C 2.402 179.951 177.584 -0.057 0.000 1.181 271 A CA 1.580 53.506 52.037 -0.185 0.000 0.627 271 A CB -0.698 18.156 19.000 -0.244 0.000 0.818 271 A HN 0.232 nan 8.150 nan 0.000 0.445 272 V N -2.100 117.793 119.914 -0.034 0.000 2.358 272 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 272 V C 2.195 178.241 176.094 -0.080 0.000 1.047 272 V CA 1.835 64.120 62.300 -0.025 0.000 1.035 272 V CB -0.952 30.865 31.823 -0.009 0.000 0.658 272 V HN 0.880 nan 8.190 nan 0.000 0.452 273 W N 0.976 122.077 121.300 -0.333 0.000 2.358 273 W HA -0.169 4.490 4.660 -0.002 0.000 0.303 273 W C 2.510 178.892 176.519 -0.228 0.000 1.208 273 W CA 1.932 59.010 57.345 -0.445 0.000 1.274 273 W CB -0.759 28.430 29.460 -0.452 0.000 1.138 273 W HN 0.407 nan 8.180 nan 0.000 0.515 274 H N -0.788 118.165 119.070 -0.194 0.000 2.387 274 H HA -0.140 4.415 4.556 -0.001 0.000 0.299 274 H C 2.279 177.192 175.328 -0.691 0.000 1.099 274 H CA 1.163 56.970 56.048 -0.402 0.000 1.315 274 H CB -0.371 29.341 29.762 -0.084 0.000 1.380 274 H HN 0.221 nan 8.280 nan 0.000 0.513 275 A N 1.055 123.633 122.820 -0.403 0.000 1.902 275 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 275 A C 2.396 179.768 177.584 -0.354 0.000 1.181 275 A CA 1.207 52.959 52.037 -0.476 0.000 0.623 275 A CB -0.592 18.350 19.000 -0.098 0.000 0.818 275 A HN 0.293 nan 8.150 nan 0.000 0.443 276 I N -0.439 119.941 120.570 -0.317 0.000 2.252 276 I HA -0.235 3.934 4.170 -0.001 0.000 0.245 276 I C 2.265 178.278 176.117 -0.174 0.000 1.102 276 I CA 1.190 62.293 61.300 -0.330 0.000 1.385 276 I CB -0.273 37.422 38.000 -0.508 0.000 1.064 276 I HN 0.302 nan 8.210 nan 0.000 0.414 277 I N 0.203 120.658 120.570 -0.192 0.000 2.179 277 I HA -0.273 3.897 4.170 -0.001 0.000 0.242 277 I C 2.611 178.761 176.117 0.054 0.000 1.088 277 I CA 1.208 62.491 61.300 -0.029 0.000 1.357 277 I CB -0.302 37.591 38.000 -0.179 0.000 1.051 277 I HN 0.110 nan 8.210 nan 0.000 0.409 278 R N 0.871 121.271 120.500 -0.166 0.000 2.120 278 R HA -0.142 4.197 4.340 -0.001 0.000 0.234 278 R C 2.135 178.443 176.300 0.014 0.000 1.123 278 R CA 1.114 57.156 56.100 -0.096 0.000 0.975 278 R CB -0.474 29.613 30.300 -0.354 0.000 0.866 278 R HN 0.297 nan 8.270 nan 0.000 0.446 279 K N 0.225 120.603 120.400 -0.037 0.000 2.057 279 K HA -0.095 4.224 4.320 -0.001 0.000 0.206 279 K C 1.391 178.029 176.600 0.064 0.000 1.050 279 K CA 1.442 57.740 56.287 0.019 0.000 0.935 279 K CB -0.012 32.486 32.500 -0.004 0.000 0.715 279 K HN 0.082 nan 8.250 nan 0.000 0.439 280 N N 0.152 118.895 118.700 0.072 0.000 2.166 280 N HA -0.170 4.569 4.740 -0.001 0.000 0.186 280 N C 1.331 176.821 175.510 -0.032 0.000 1.019 280 N CA 1.216 54.289 53.050 0.037 0.000 0.856 280 N CB -0.317 38.200 38.487 0.050 0.000 0.993 280 N HN 0.292 nan 8.380 nan 0.000 0.426 281 Y N -0.120 120.171 120.300 -0.015 0.000 2.632 281 Y HA 0.097 4.646 4.550 -0.001 0.000 0.301 281 Y C 1.745 177.634 175.900 -0.019 0.000 1.172 281 Y CA 0.682 58.752 58.100 -0.049 0.000 1.328 281 Y CB 0.013 38.435 38.460 -0.064 0.000 1.016 281 Y HN 0.206 nan 8.280 nan 0.000 0.529 282 G N -0.841 108.059 108.800 0.167 0.000 2.179 282 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.220 282 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.220 282 G C 0.252 175.333 174.900 0.302 0.000 0.990 282 G CA -0.258 44.988 45.100 0.243 0.000 0.646 282 G HN 0.547 nan 8.290 nan 0.000 0.517 283 A N 0.598 123.551 122.820 0.221 0.000 2.388 283 A HA 0.735 5.055 4.320 -0.001 0.000 0.257 283 A C 1.558 179.200 177.584 0.096 0.000 1.095 283 A CA 1.124 53.240 52.037 0.132 0.000 0.791 283 A CB 0.638 19.711 19.000 0.122 0.000 1.029 283 A HN 1.531 nan 8.150 nan 0.000 0.489 284 S N 1.075 116.836 115.700 0.101 0.000 2.486 284 S HA 0.160 4.629 4.470 -0.001 0.000 0.220 284 S C 0.454 175.045 174.600 -0.015 0.000 1.011 284 S CA 0.561 58.811 58.200 0.083 0.000 0.921 284 S CB -0.260 63.039 63.200 0.165 0.000 0.785 284 S HN 0.803 nan 8.310 nan 0.000 0.517 285 H N -0.620 118.484 119.070 0.056 0.000 2.865 285 H HA 0.751 5.306 4.556 -0.001 0.000 0.372 285 H C -1.708 173.754 175.328 0.223 0.000 1.173 285 H CA -0.941 55.168 56.048 0.102 0.000 1.147 285 H CB 1.449 31.243 29.762 0.054 0.000 1.805 285 H HN 0.217 nan 8.280 nan 0.000 0.553 286 F N 1.193 121.230 119.950 0.145 0.000 2.608 286 F HA 0.517 5.044 4.527 -0.001 0.000 0.309 286 F C -1.685 174.191 175.800 0.128 0.000 1.103 286 F CA -1.043 57.025 58.000 0.112 0.000 0.954 286 F CB 1.198 40.230 39.000 0.054 0.000 1.267 286 F HN 0.443 nan 8.300 nan 0.000 0.444 287 I N 5.882 126.138 120.570 -0.523 0.000 2.331 287 I HA 0.399 4.568 4.170 -0.001 0.000 0.292 287 I C -0.844 174.826 176.117 -0.744 0.000 0.998 287 I CA -0.956 60.134 61.300 -0.350 0.000 1.267 287 I CB 1.504 39.531 38.000 0.046 0.000 1.386 287 I HN 0.244 nan 8.210 nan 0.000 0.476 288 V N 6.272 125.936 119.914 -0.417 0.000 2.328 288 V HA 0.416 4.535 4.120 -0.001 0.000 0.278 288 V C 0.860 176.794 176.094 -0.266 0.000 1.021 288 V CA -0.494 61.537 62.300 -0.448 0.000 0.838 288 V CB 1.056 32.679 31.823 -0.334 0.000 0.999 288 V HN 0.909 nan 8.190 nan 0.000 0.447 289 G N 3.850 112.516 108.800 -0.223 0.000 2.616 289 G HA2 0.319 4.278 3.960 -0.001 0.000 0.268 289 G HA3 0.319 4.278 3.960 -0.001 0.000 0.268 289 G C -0.020 174.577 174.900 -0.505 0.000 1.213 289 G CA -0.594 43.965 45.100 -0.902 0.000 0.926 289 G HN 0.699 nan 8.290 nan 0.000 0.523 290 R N 0.032 120.194 120.500 -0.563 0.000 2.389 290 R HA 0.145 4.484 4.340 -0.001 0.000 0.295 290 R C -0.103 176.107 176.300 -0.150 0.000 1.075 290 R CA 0.198 56.202 56.100 -0.160 0.000 1.005 290 R CB 0.158 30.476 30.300 0.030 0.000 0.987 290 R HN 0.586 nan 8.270 nan 0.000 0.452 291 D N 1.969 122.299 120.400 -0.117 0.000 2.708 291 D HA -0.258 4.381 4.640 -0.001 0.000 0.236 291 D C -0.722 175.533 176.300 -0.075 0.000 1.146 291 D CA 0.777 54.739 54.000 -0.063 0.000 0.662 291 D CB -1.214 39.570 40.800 -0.027 0.000 1.059 291 D HN 0.600 nan 8.370 nan 0.000 0.428 292 H N 0.366 119.322 119.070 -0.190 0.000 3.094 292 H HA 0.227 4.782 4.556 -0.002 0.000 0.320 292 H C 1.407 176.621 175.328 -0.191 0.000 1.000 292 H CA 1.576 57.505 56.048 -0.199 0.000 1.413 292 H CB 0.252 29.896 29.762 -0.197 0.000 1.405 292 H HN 0.442 nan 8.280 nan 0.000 0.586 293 A N 3.214 125.841 122.820 -0.322 0.000 2.798 293 A HA -0.192 4.127 4.320 -0.001 0.000 0.282 293 A C 1.039 178.527 177.584 -0.160 0.000 1.464 293 A CA 1.135 53.057 52.037 -0.192 0.000 0.844 293 A CB -1.881 17.034 19.000 -0.141 0.000 1.006 293 A HN 0.954 nan 8.150 nan 0.000 0.577 294 G N -0.510 108.216 108.800 -0.124 0.000 2.353 294 G HA2 0.536 4.495 3.960 -0.001 0.000 0.284 294 G HA3 0.536 4.495 3.960 -0.001 0.000 0.284 294 G C -0.870 174.040 174.900 0.017 0.000 1.172 294 G CA -0.695 44.392 45.100 -0.022 0.000 0.854 294 G HN 0.304 nan 8.290 nan 0.000 0.485 295 P HA 0.159 nan 4.420 nan 0.000 0.255 295 P C 1.181 178.547 177.300 0.110 0.000 1.301 295 P CA 0.873 63.912 63.100 -0.101 0.000 0.817 295 P CB 0.302 31.702 31.700 -0.500 0.000 1.259 296 G N 0.768 109.717 108.800 0.249 0.000 2.578 296 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.232 296 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.232 296 G C -0.959 174.152 174.900 0.351 0.000 1.176 296 G CA -0.497 44.764 45.100 0.269 0.000 0.968 296 G HN 0.324 nan 8.290 nan 0.000 0.583 297 K N 1.286 121.808 120.400 0.203 0.000 2.328 297 K HA 0.471 4.790 4.320 -0.001 0.000 0.246 297 K C 0.560 177.039 176.600 -0.200 0.000 0.955 297 K CA -0.251 55.983 56.287 -0.087 0.000 0.817 297 K CB 1.829 34.300 32.500 -0.050 0.000 1.208 297 K HN 0.879 nan 8.250 nan 0.000 0.432 298 N N -0.994 117.329 118.700 -0.628 0.000 2.366 298 N HA 0.007 4.747 4.740 -0.001 0.000 0.277 298 N C 0.868 176.309 175.510 -0.115 0.000 1.275 298 N CA -0.355 52.461 53.050 -0.390 0.000 0.964 298 N CB 0.646 38.815 38.487 -0.530 0.000 1.167 298 N HN 0.504 nan 8.380 nan 0.000 0.568 299 S N -0.362 115.319 115.700 -0.032 0.000 2.400 299 S HA -0.170 4.300 4.470 -0.001 0.000 0.232 299 S C 1.275 175.861 174.600 -0.023 0.000 1.025 299 S CA 0.907 59.106 58.200 -0.002 0.000 0.993 299 S CB -0.428 62.785 63.200 0.021 0.000 0.808 299 S HN 0.570 nan 8.310 nan 0.000 0.478 300 K N 0.952 121.321 120.400 -0.052 0.000 2.505 300 K HA 0.260 4.580 4.320 -0.001 0.000 0.192 300 K C 1.181 177.747 176.600 -0.056 0.000 1.025 300 K CA 0.340 56.600 56.287 -0.046 0.000 1.086 300 K CB -0.280 32.190 32.500 -0.049 0.000 0.840 300 K HN 0.578 nan 8.250 nan 0.000 0.514 301 G N 1.377 110.135 108.800 -0.069 0.000 2.148 301 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.254 301 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.254 301 G C 0.013 174.859 174.900 -0.090 0.000 0.981 301 G CA 0.321 45.384 45.100 -0.062 0.000 0.670 301 G HN 0.279 nan 8.290 nan 0.000 0.528 302 V N 0.860 120.685 119.914 -0.149 0.000 2.567 302 V HA 0.549 4.669 4.120 -0.001 0.000 0.289 302 V C -0.031 175.912 176.094 -0.251 0.000 1.049 302 V CA -0.940 61.264 62.300 -0.160 0.000 0.969 302 V CB 1.224 32.958 31.823 -0.148 0.000 0.995 302 V HN 0.232 nan 8.190 nan 0.000 0.471 303 D N 4.987 125.299 120.400 -0.147 0.000 2.424 303 D HA 0.074 4.713 4.640 -0.001 0.000 0.244 303 D C 0.609 176.821 176.300 -0.146 0.000 1.134 303 D CA 0.500 54.443 54.000 -0.096 0.000 0.881 303 D CB 0.959 41.766 40.800 0.012 0.000 1.191 303 D HN 0.576 nan 8.370 nan 0.000 0.445 304 F N 0.677 120.613 119.950 -0.023 0.000 2.259 304 F HA -0.066 4.460 4.527 -0.001 0.000 0.298 304 F C 0.600 176.158 175.800 -0.404 0.000 1.088 304 F CA 0.897 58.796 58.000 -0.167 0.000 1.358 304 F CB 0.040 38.960 39.000 -0.134 0.000 1.040 304 F HN 0.316 nan 8.300 nan 0.000 0.505 305 Y N -1.250 119.187 120.300 0.227 0.000 2.553 305 Y HA 0.553 5.102 4.550 -0.002 0.000 0.347 305 Y C 0.580 176.527 175.900 0.077 0.000 1.019 305 Y CA -1.868 56.318 58.100 0.145 0.000 1.032 305 Y CB 0.811 39.352 38.460 0.135 0.000 1.284 305 Y HN -0.221 nan 8.280 nan 0.000 0.466 306 G N 1.792 110.725 108.800 0.222 0.000 2.483 306 G HA2 0.274 4.234 3.960 -0.001 0.000 0.248 306 G HA3 0.274 4.234 3.960 -0.001 0.000 0.248 306 G C -1.692 173.244 174.900 0.060 0.000 1.248 306 G CA -1.187 43.987 45.100 0.123 0.000 0.838 306 G HN 0.461 nan 8.290 nan 0.000 0.566 307 P HA -0.134 nan 4.420 nan 0.000 0.221 307 P C 0.127 177.150 177.300 -0.461 0.000 1.145 307 P CA 1.401 64.302 63.100 -0.333 0.000 0.795 307 P CB 0.086 31.457 31.700 -0.549 0.000 0.775 308 Y N -1.133 119.214 120.300 0.078 0.000 2.531 308 Y HA 0.172 4.721 4.550 -0.002 0.000 0.249 308 Y C 1.741 177.671 175.900 0.050 0.000 1.168 308 Y CA -0.426 57.709 58.100 0.059 0.000 1.226 308 Y CB -0.340 38.153 38.460 0.056 0.000 1.177 308 Y HN -0.164 nan 8.280 nan 0.000 0.527 309 D N 1.135 121.628 120.400 0.156 0.000 2.123 309 D HA -0.190 4.449 4.640 -0.001 0.000 0.196 309 D C 2.230 178.577 176.300 0.079 0.000 0.992 309 D CA 1.544 55.624 54.000 0.134 0.000 0.833 309 D CB -0.163 40.746 40.800 0.181 0.000 0.954 309 D HN 0.374 nan 8.370 nan 0.000 0.455 310 A N 0.730 123.573 122.820 0.038 0.000 1.858 310 A HA -0.241 4.078 4.320 -0.001 0.000 0.216 310 A C 2.135 179.715 177.584 -0.006 0.000 1.190 310 A CA 1.608 53.635 52.037 -0.017 0.000 0.617 310 A CB -0.764 18.206 19.000 -0.050 0.000 0.827 310 A HN 0.203 nan 8.150 nan 0.000 0.443 311 Q N -0.590 119.228 119.800 0.031 0.000 2.181 311 Q HA -0.215 4.125 4.340 -0.001 0.000 0.205 311 Q C 1.962 177.985 176.000 0.038 0.000 0.980 311 Q CA 1.776 57.604 55.803 0.041 0.000 0.862 311 Q CB -0.166 28.639 28.738 0.110 0.000 0.905 311 Q HN 0.793 nan 8.270 nan 0.000 0.429 312 E N 0.329 120.560 120.200 0.052 0.000 2.107 312 E HA -0.099 4.250 4.350 -0.001 0.000 0.191 312 E C 1.959 178.539 176.600 -0.033 0.000 0.982 312 E CA 0.433 56.844 56.400 0.018 0.000 0.809 312 E CB 0.019 29.742 29.700 0.039 0.000 0.756 312 E HN 0.275 nan 8.360 nan 0.000 0.459 313 L N 0.860 122.066 121.223 -0.028 0.000 2.027 313 L HA -0.153 4.186 4.340 -0.001 0.000 0.206 313 L C 2.306 179.128 176.870 -0.079 0.000 1.074 313 L CA 1.073 55.861 54.840 -0.086 0.000 0.745 313 L CB -0.123 41.936 42.059 -0.000 0.000 0.898 313 L HN 0.087 nan 8.230 nan 0.000 0.433 314 V N 0.090 120.013 119.914 0.015 0.000 2.407 314 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 314 V C 2.452 178.565 176.094 0.031 0.000 1.055 314 V CA 1.949 64.291 62.300 0.070 0.000 1.049 314 V CB -0.495 31.353 31.823 0.042 0.000 0.662 314 V HN 0.481 nan 8.190 nan 0.000 0.455 315 E N 1.261 121.452 120.200 -0.015 0.000 2.153 315 E HA -0.188 4.162 4.350 -0.001 0.000 0.194 315 E C 2.271 178.838 176.600 -0.055 0.000 0.988 315 E CA 1.580 57.963 56.400 -0.029 0.000 0.811 315 E CB -0.382 29.306 29.700 -0.020 0.000 0.746 315 E HN 0.722 nan 8.360 nan 0.000 0.466 316 S N -1.094 114.525 115.700 -0.134 0.000 2.423 316 S HA -0.156 4.313 4.470 -0.001 0.000 0.231 316 S C 1.529 176.023 174.600 -0.177 0.000 1.014 316 S CA 0.922 58.994 58.200 -0.214 0.000 0.965 316 S CB -0.584 62.375 63.200 -0.403 0.000 0.785 316 S HN 0.480 nan 8.310 nan 0.000 0.495 317 Y N 1.205 121.522 120.300 0.027 0.000 2.485 317 Y HA 0.394 4.943 4.550 -0.001 0.000 0.260 317 Y C 2.061 177.966 175.900 0.008 0.000 1.173 317 Y CA -0.453 57.668 58.100 0.035 0.000 1.252 317 Y CB 0.152 38.627 38.460 0.025 0.000 1.123 317 Y HN 0.214 nan 8.280 nan 0.000 0.524 318 K N 0.609 121.045 120.400 0.060 0.000 2.127 318 K HA -0.261 4.058 4.320 -0.001 0.000 0.208 318 K C 0.731 177.234 176.600 -0.162 0.000 1.047 318 K CA 2.098 58.325 56.287 -0.099 0.000 0.927 318 K CB -0.171 32.176 32.500 -0.255 0.000 0.716 318 K HN 0.499 nan 8.250 nan 0.000 0.450 319 H N -0.644 118.478 119.070 0.086 0.000 2.555 319 H HA 0.001 4.556 4.556 -0.001 0.000 0.269 319 H C 1.070 176.443 175.328 0.076 0.000 0.988 319 H CA 1.212 57.301 56.048 0.069 0.000 1.178 319 H CB 0.332 30.127 29.762 0.056 0.000 1.373 319 H HN 0.548 nan 8.280 nan 0.000 0.588 320 E N -0.214 120.089 120.200 0.171 0.000 2.641 320 E HA 0.074 4.423 4.350 -0.001 0.000 0.224 320 E C 1.015 177.694 176.600 0.133 0.000 0.951 320 E CA 0.005 56.489 56.400 0.141 0.000 1.102 320 E CB -0.024 29.760 29.700 0.140 0.000 1.091 320 E HN 0.326 nan 8.360 nan 0.000 0.507 321 L N 1.099 122.388 121.223 0.109 0.000 2.179 321 L HA 0.001 4.340 4.340 -0.001 0.000 0.208 321 L C 0.586 177.504 176.870 0.080 0.000 1.096 321 L CA 1.028 55.922 54.840 0.089 0.000 0.779 321 L CB -0.040 42.049 42.059 0.050 0.000 0.922 321 L HN 0.194 nan 8.230 nan 0.000 0.443 322 D N -0.087 120.346 120.400 0.056 0.000 2.945 322 D HA -0.243 4.397 4.640 -0.001 0.000 0.225 322 D C -0.251 176.054 176.300 0.009 0.000 1.158 322 D CA 0.702 54.726 54.000 0.040 0.000 0.805 322 D CB -0.893 39.949 40.800 0.070 0.000 1.098 322 D HN 0.300 nan 8.370 nan 0.000 0.426 323 I N -0.011 120.552 120.570 -0.012 0.000 2.610 323 I HA 0.264 4.433 4.170 -0.001 0.000 0.289 323 I C -0.538 175.542 176.117 -0.061 0.000 1.163 323 I CA -0.774 60.502 61.300 -0.039 0.000 1.044 323 I CB 1.367 39.361 38.000 -0.010 0.000 1.251 323 I HN -0.136 nan 8.210 nan 0.000 0.424 324 E N 5.585 125.675 120.200 -0.184 0.000 2.316 324 E HA 0.287 4.636 4.350 -0.001 0.000 0.275 324 E C -0.972 175.620 176.600 -0.013 0.000 1.029 324 E CA -0.373 55.918 56.400 -0.181 0.000 0.871 324 E CB 1.712 31.149 29.700 -0.439 0.000 1.022 324 E HN 0.353 nan 8.360 nan 0.000 0.418 325 V N 4.531 124.469 119.914 0.041 0.000 2.407 325 V HA 0.130 4.249 4.120 -0.001 0.000 0.278 325 V C 0.033 176.183 176.094 0.093 0.000 1.037 325 V CA -0.573 61.781 62.300 0.090 0.000 0.900 325 V CB 1.539 33.401 31.823 0.065 0.000 0.983 325 V HN 0.402 nan 8.190 nan 0.000 0.459 326 V N 8.261 128.242 119.914 0.113 0.000 2.439 326 V HA 0.356 4.476 4.120 -0.001 0.000 0.282 326 V C -1.808 174.347 176.094 0.101 0.000 1.039 326 V CA -1.695 60.674 62.300 0.116 0.000 0.913 326 V CB 1.943 33.842 31.823 0.128 0.000 0.983 326 V HN 0.798 nan 8.190 nan 0.000 0.460 327 P HA -0.011 nan 4.420 nan 0.000 0.265 327 P C -0.769 176.635 177.300 0.173 0.000 1.193 327 P CA -0.090 63.080 63.100 0.118 0.000 0.765 327 P CB 0.374 32.120 31.700 0.077 0.000 0.823 328 F N 4.921 124.900 119.950 0.048 0.000 2.444 328 F HA 0.209 4.735 4.527 -0.002 0.000 0.360 328 F C 0.715 176.558 175.800 0.071 0.000 1.106 328 F CA -0.401 57.639 58.000 0.067 0.000 1.170 328 F CB 0.390 39.444 39.000 0.090 0.000 1.113 328 F HN 0.117 nan 8.300 nan 0.000 0.521 329 R N 7.153 127.431 120.500 -0.371 0.000 2.505 329 R HA 0.179 4.519 4.340 -0.001 0.000 0.284 329 R C -0.425 175.584 176.300 -0.486 0.000 1.324 329 R CA -0.948 54.969 56.100 -0.306 0.000 1.432 329 R CB 0.707 30.919 30.300 -0.147 0.000 1.107 329 R HN 0.644 nan 8.270 nan 0.000 0.587 330 M N 2.575 121.787 119.600 -0.647 0.000 2.249 330 M HA 0.043 4.522 4.480 -0.001 0.000 0.340 330 M C -0.070 176.120 176.300 -0.183 0.000 1.166 330 M CA -0.276 54.748 55.300 -0.460 0.000 1.115 330 M CB 0.695 33.152 32.600 -0.238 0.000 1.606 330 M HN 0.311 nan 8.290 nan 0.000 0.448 331 V N 1.780 121.627 119.914 -0.111 0.000 2.994 331 V HA 0.974 5.093 4.120 -0.001 0.000 0.318 331 V C -0.325 175.822 176.094 0.088 0.000 1.085 331 V CA -0.528 61.771 62.300 -0.002 0.000 0.998 331 V CB 1.685 33.526 31.823 0.031 0.000 1.063 331 V HN 0.947 nan 8.190 nan 0.000 0.447 332 T N 0.655 115.286 114.554 0.129 0.000 2.883 332 T HA 0.523 4.872 4.350 -0.001 0.000 0.301 332 T C -1.748 173.022 174.700 0.116 0.000 1.158 332 T CA -0.347 61.845 62.100 0.154 0.000 1.007 332 T CB 1.541 70.450 68.868 0.069 0.000 1.186 332 T HN 0.897 nan 8.240 nan 0.000 0.499 333 Y N 3.226 123.458 120.300 -0.114 0.000 2.304 333 Y HA 0.600 5.149 4.550 -0.001 0.000 0.328 333 Y C -0.634 175.010 175.900 -0.427 0.000 1.123 333 Y CA -0.973 56.853 58.100 -0.458 0.000 1.218 333 Y CB 0.544 38.677 38.460 -0.545 0.000 1.207 333 Y HN 0.481 nan 8.280 nan 0.000 0.495 334 L N 9.969 130.578 121.223 -1.023 0.000 2.297 334 L HA 0.277 4.616 4.340 -0.001 0.000 0.277 334 L C -1.800 174.400 176.870 -1.116 0.000 1.040 334 L CA -1.847 52.520 54.840 -0.789 0.000 0.867 334 L CB 1.165 42.932 42.059 -0.487 0.000 1.244 334 L HN 0.574 nan 8.230 nan 0.000 0.433 335 P HA -0.202 nan 4.420 nan 0.000 0.214 335 P C 0.763 177.806 177.300 -0.427 0.000 1.169 335 P CA 1.307 63.998 63.100 -0.682 0.000 0.908 335 P CB 0.254 31.727 31.700 -0.378 0.000 0.791 336 D N -0.923 119.285 120.400 -0.320 0.000 2.354 336 D HA -0.144 4.496 4.640 -0.001 0.000 0.216 336 D C 1.376 177.554 176.300 -0.204 0.000 0.970 336 D CA 1.028 54.901 54.000 -0.212 0.000 0.905 336 D CB -0.332 40.367 40.800 -0.169 0.000 0.903 336 D HN 0.412 nan 8.370 nan 0.000 0.508 337 E N -0.034 119.998 120.200 -0.281 0.000 2.562 337 E HA -0.005 4.344 4.350 -0.001 0.000 0.214 337 E C -0.627 175.837 176.600 -0.226 0.000 0.979 337 E CA -0.189 56.079 56.400 -0.220 0.000 1.002 337 E CB 0.663 30.238 29.700 -0.208 0.000 1.048 337 E HN 0.032 nan 8.360 nan 0.000 0.488 338 D N 2.044 122.256 120.400 -0.313 0.000 2.704 338 D HA -0.222 4.417 4.640 -0.001 0.000 0.232 338 D C -0.105 176.125 176.300 -0.117 0.000 1.183 338 D CA 1.274 55.167 54.000 -0.178 0.000 0.647 338 D CB -0.902 39.891 40.800 -0.012 0.000 1.013 338 D HN 0.435 nan 8.370 nan 0.000 0.415 339 R N -1.685 118.615 120.500 -0.334 0.000 2.747 339 R HA 0.565 4.904 4.340 -0.001 0.000 0.272 339 R C -1.503 174.588 176.300 -0.349 0.000 1.032 339 R CA -0.942 55.071 56.100 -0.146 0.000 0.896 339 R CB 0.846 31.112 30.300 -0.058 0.000 1.253 339 R HN -0.124 nan 8.270 nan 0.000 0.461 340 Y N -0.400 119.918 120.300 0.030 0.000 2.409 340 Y HA 0.824 5.374 4.550 -0.001 0.000 0.339 340 Y C 0.024 175.905 175.900 -0.032 0.000 1.033 340 Y CA -0.372 57.744 58.100 0.028 0.000 1.094 340 Y CB 2.526 41.017 38.460 0.052 0.000 1.210 340 Y HN 0.908 nan 8.280 nan 0.000 0.456 341 A N 3.015 125.880 122.820 0.074 0.000 2.539 341 A HA 0.776 5.095 4.320 -0.001 0.000 0.296 341 A C -3.134 174.455 177.584 0.008 0.000 1.073 341 A CA -2.244 49.802 52.037 0.016 0.000 0.700 341 A CB 1.475 20.453 19.000 -0.037 0.000 1.296 341 A HN 0.461 nan 8.150 nan 0.000 0.405 342 P HA 0.154 nan 4.420 nan 0.000 0.263 342 P C 0.723 178.009 177.300 -0.023 0.000 1.195 342 P CA 0.104 63.184 63.100 -0.033 0.000 0.762 342 P CB 0.297 31.974 31.700 -0.039 0.000 0.799 343 I N 2.410 122.969 120.570 -0.018 0.000 2.567 343 I HA -0.243 3.927 4.170 -0.001 0.000 0.257 343 I C 1.307 177.426 176.117 0.004 0.000 1.184 343 I CA 1.554 62.853 61.300 -0.000 0.000 1.451 343 I CB -0.529 37.483 38.000 0.020 0.000 1.089 343 I HN 0.423 nan 8.210 nan 0.000 0.441 344 D N -0.410 119.990 120.400 0.000 0.000 2.349 344 D HA -0.178 4.461 4.640 -0.001 0.000 0.224 344 D C 1.798 178.095 176.300 -0.005 0.000 1.029 344 D CA 0.399 54.403 54.000 0.007 0.000 0.879 344 D CB -0.015 40.792 40.800 0.011 0.000 0.906 344 D HN 0.207 nan 8.370 nan 0.000 0.528 345 Q N -0.231 119.561 119.800 -0.013 0.000 2.189 345 Q HA 0.283 4.622 4.340 -0.001 0.000 0.223 345 Q C -0.282 175.703 176.000 -0.026 0.000 0.828 345 Q CA -0.193 55.599 55.803 -0.019 0.000 0.967 345 Q CB 0.257 28.981 28.738 -0.023 0.000 1.139 345 Q HN 0.491 nan 8.270 nan 0.000 0.497 346 I N -3.476 117.079 120.570 -0.026 0.000 3.100 346 I HA 0.630 4.799 4.170 -0.001 0.000 0.312 346 I C 0.281 176.380 176.117 -0.030 0.000 1.063 346 I CA -0.981 60.297 61.300 -0.036 0.000 1.031 346 I CB 0.846 38.817 38.000 -0.048 0.000 1.243 346 I HN -0.042 nan 8.210 nan 0.000 0.483 347 D N 0.067 120.444 120.400 -0.039 0.000 3.905 347 D HA -0.269 4.370 4.640 -0.001 0.000 0.274 347 D C 0.791 177.075 176.300 -0.028 0.000 2.034 347 D CA 1.593 55.573 54.000 -0.034 0.000 1.180 347 D CB -0.901 39.886 40.800 -0.023 0.000 0.918 347 D HN 1.100 nan 8.370 nan 0.000 1.125 348 T N -2.096 112.445 114.554 -0.022 0.000 11.562 348 T HA -0.264 4.085 4.350 -0.001 0.000 0.412 348 T C 1.059 175.745 174.700 -0.023 0.000 1.498 348 T CA 2.664 64.753 62.100 -0.019 0.000 2.462 348 T CB -1.272 67.586 68.868 -0.016 0.000 2.836 348 T HN 0.480 nan 8.240 nan 0.000 0.936 349 T N 1.691 116.228 114.554 -0.029 0.000 3.214 349 T HA 0.396 4.745 4.350 -0.001 0.000 0.264 349 T C 0.244 174.922 174.700 -0.037 0.000 1.012 349 T CA 0.401 62.482 62.100 -0.031 0.000 0.901 349 T CB 0.153 69.001 68.868 -0.034 0.000 1.070 349 T HN 0.715 nan 8.240 nan 0.000 0.561 350 K N 2.036 122.414 120.400 -0.037 0.000 5.393 350 K HA -0.157 4.162 4.320 -0.001 0.000 0.381 350 K C -1.398 175.169 176.600 -0.056 0.000 1.015 350 K CA 0.498 56.759 56.287 -0.042 0.000 1.190 350 K CB -1.454 31.023 32.500 -0.038 0.000 1.752 350 K HN 0.286 nan 8.250 nan 0.000 0.409 351 T N 3.979 118.494 114.554 -0.064 0.000 2.840 351 T HA 0.261 4.610 4.350 -0.001 0.000 0.287 351 T C -0.441 174.198 174.700 -0.101 0.000 0.991 351 T CA -0.722 61.326 62.100 -0.087 0.000 0.964 351 T CB 1.301 70.114 68.868 -0.091 0.000 0.954 351 T HN 0.465 nan 8.240 nan 0.000 0.438 352 R N 2.512 122.938 120.500 -0.123 0.000 2.489 352 R HA 0.424 4.763 4.340 -0.001 0.000 0.287 352 R C 0.172 176.360 176.300 -0.187 0.000 1.053 352 R CA 0.094 56.111 56.100 -0.139 0.000 1.036 352 R CB 0.285 30.498 30.300 -0.145 0.000 0.966 352 R HN 0.798 nan 8.270 nan 0.000 0.432 353 T N 1.471 115.925 114.554 -0.167 0.000 2.906 353 T HA 0.578 4.928 4.350 -0.001 0.000 0.295 353 T C -0.563 174.024 174.700 -0.189 0.000 1.075 353 T CA -0.956 61.029 62.100 -0.192 0.000 1.005 353 T CB 1.362 70.159 68.868 -0.118 0.000 1.136 353 T HN 0.379 nan 8.240 nan 0.000 0.498 354 L N 2.563 123.638 121.223 -0.247 0.000 2.388 354 L HA 0.720 5.059 4.340 -0.001 0.000 0.264 354 L C -0.658 176.176 176.870 -0.059 0.000 0.998 354 L CA -0.963 53.713 54.840 -0.273 0.000 0.817 354 L CB 2.112 43.729 42.059 -0.738 0.000 1.338 354 L HN 0.997 nan 8.230 nan 0.000 0.414 355 N N 2.655 121.463 118.700 0.180 0.000 2.710 355 N HA 0.497 5.236 4.740 -0.001 0.000 0.257 355 N C -1.829 173.805 175.510 0.207 0.000 1.327 355 N CA -0.601 52.658 53.050 0.348 0.000 0.861 355 N CB 2.293 40.908 38.487 0.213 0.000 1.532 355 N HN 0.501 nan 8.380 nan 0.000 0.499 356 I N 1.534 122.087 120.570 -0.028 0.000 2.439 356 I HA 0.190 4.359 4.170 -0.001 0.000 0.285 356 I C 0.714 176.699 176.117 -0.220 0.000 1.021 356 I CA -0.622 60.449 61.300 -0.382 0.000 1.091 356 I CB 1.848 39.118 38.000 -1.217 0.000 1.242 356 I HN 0.722 nan 8.210 nan 0.000 0.439 357 S N 3.897 119.544 115.700 -0.088 0.000 2.624 357 S HA 0.281 4.750 4.470 -0.001 0.000 0.263 357 S C 1.349 175.953 174.600 0.006 0.000 1.287 357 S CA 0.011 58.217 58.200 0.010 0.000 0.990 357 S CB 1.459 64.672 63.200 0.021 0.000 0.950 357 S HN 0.787 nan 8.310 nan 0.000 0.561 358 G N 0.387 109.232 108.800 0.075 0.000 2.418 358 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.217 358 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.217 358 G C 1.244 176.169 174.900 0.042 0.000 1.158 358 G CA 1.188 46.341 45.100 0.089 0.000 0.771 358 G HN 0.746 nan 8.290 nan 0.000 0.545 359 T N 0.642 115.213 114.554 0.028 0.000 2.746 359 T HA -0.096 4.254 4.350 -0.001 0.000 0.267 359 T C 2.209 176.900 174.700 -0.014 0.000 1.039 359 T CA 1.648 63.756 62.100 0.013 0.000 1.142 359 T CB -0.128 68.749 68.868 0.015 0.000 0.866 359 T HN 0.403 nan 8.240 nan 0.000 0.444 360 E N 1.053 121.229 120.200 -0.040 0.000 2.072 360 E HA -0.081 4.268 4.350 -0.001 0.000 0.191 360 E C 1.999 178.537 176.600 -0.104 0.000 0.985 360 E CA 0.678 57.032 56.400 -0.077 0.000 0.801 360 E CB -0.598 29.037 29.700 -0.108 0.000 0.750 360 E HN 0.324 nan 8.360 nan 0.000 0.452 361 L N 0.638 121.791 121.223 -0.118 0.000 2.012 361 L HA -0.094 4.246 4.340 -0.001 0.000 0.210 361 L C 2.303 179.151 176.870 -0.037 0.000 1.073 361 L CA 1.918 56.696 54.840 -0.105 0.000 0.748 361 L CB -0.624 41.414 42.059 -0.036 0.000 0.891 361 L HN 0.010 nan 8.230 nan 0.000 0.431 362 R N -0.703 119.792 120.500 -0.008 0.000 2.091 362 R HA -0.166 4.173 4.340 -0.001 0.000 0.238 362 R C 2.565 178.854 176.300 -0.019 0.000 1.136 362 R CA 1.816 57.917 56.100 0.002 0.000 0.959 362 R CB -0.364 29.945 30.300 0.016 0.000 0.856 362 R HN 0.379 nan 8.270 nan 0.000 0.437 363 R N 0.304 120.786 120.500 -0.031 0.000 2.070 363 R HA -0.126 4.213 4.340 -0.001 0.000 0.233 363 R C 2.111 178.379 176.300 -0.053 0.000 1.137 363 R CA 1.770 57.845 56.100 -0.042 0.000 0.945 363 R CB -0.084 30.190 30.300 -0.043 0.000 0.845 363 R HN 0.164 nan 8.270 nan 0.000 0.430 364 R N 0.238 120.701 120.500 -0.062 0.000 2.091 364 R HA -0.136 4.204 4.340 -0.001 0.000 0.238 364 R C 2.406 178.675 176.300 -0.052 0.000 1.136 364 R CA 1.551 57.612 56.100 -0.066 0.000 0.959 364 R CB -0.399 29.848 30.300 -0.089 0.000 0.856 364 R HN 0.302 nan 8.270 nan 0.000 0.437 365 L N 0.065 121.264 121.223 -0.039 0.000 2.141 365 L HA -0.118 4.221 4.340 -0.001 0.000 0.209 365 L C 2.815 179.662 176.870 -0.040 0.000 1.094 365 L CA 1.003 55.826 54.840 -0.027 0.000 0.763 365 L CB -0.393 41.663 42.059 -0.006 0.000 0.908 365 L HN 0.190 nan 8.230 nan 0.000 0.437 366 R N 0.452 120.923 120.500 -0.048 0.000 2.092 366 R HA -0.119 4.221 4.340 -0.001 0.000 0.231 366 R C 2.021 178.261 176.300 -0.099 0.000 1.119 366 R CA 1.865 57.922 56.100 -0.072 0.000 0.970 366 R CB 0.003 30.261 30.300 -0.070 0.000 0.864 366 R HN 0.406 nan 8.270 nan 0.000 0.440 367 V N -3.244 116.619 119.914 -0.086 0.000 3.608 367 V HA 0.346 4.465 4.120 -0.001 0.000 0.269 367 V C 0.918 176.967 176.094 -0.075 0.000 1.245 367 V CA 0.698 62.942 62.300 -0.093 0.000 1.138 367 V CB 0.157 31.931 31.823 -0.082 0.000 0.841 367 V HN 0.419 nan 8.190 nan 0.000 0.451 368 G N -0.101 108.661 108.800 -0.062 0.000 2.182 368 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.248 368 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.248 368 G C 0.464 175.337 174.900 -0.044 0.000 1.042 368 G CA 0.095 45.166 45.100 -0.048 0.000 0.775 368 G HN 1.385 nan 8.290 nan 0.000 0.501 369 G N -0.963 107.807 108.800 -0.049 0.000 2.537 369 G HA2 0.533 4.492 3.960 -0.001 0.000 0.273 369 G HA3 0.533 4.492 3.960 -0.001 0.000 0.273 369 G C 0.153 175.023 174.900 -0.050 0.000 1.189 369 G CA -0.060 45.011 45.100 -0.048 0.000 0.881 369 G HN 0.361 nan 8.290 nan 0.000 0.535 370 E N -0.291 119.880 120.200 -0.048 0.000 2.413 370 E HA 0.080 4.430 4.350 -0.001 0.000 0.263 370 E C -0.544 176.004 176.600 -0.085 0.000 1.015 370 E CA 0.309 56.678 56.400 -0.053 0.000 0.916 370 E CB 0.516 30.192 29.700 -0.039 0.000 0.947 370 E HN 0.241 nan 8.360 nan 0.000 0.440 371 I N 6.222 126.733 120.570 -0.098 0.000 2.468 371 I HA 0.214 4.383 4.170 -0.001 0.000 0.284 371 I C -2.221 173.781 176.117 -0.192 0.000 1.038 371 I CA -2.265 58.943 61.300 -0.152 0.000 1.083 371 I CB 1.853 39.802 38.000 -0.086 0.000 1.223 371 I HN 0.300 nan 8.210 nan 0.000 0.443 372 P HA 0.048 nan 4.420 nan 0.000 0.266 372 P C 0.319 177.315 177.300 -0.506 0.000 1.195 372 P CA 0.011 62.831 63.100 -0.467 0.000 0.768 372 P CB 0.653 31.834 31.700 -0.865 0.000 0.838 373 E N 2.030 122.049 120.200 -0.302 0.000 2.268 373 E HA -0.131 4.218 4.350 -0.001 0.000 0.195 373 E C 1.498 177.929 176.600 -0.281 0.000 0.995 373 E CA 0.788 57.053 56.400 -0.224 0.000 0.836 373 E CB -0.203 29.448 29.700 -0.081 0.000 0.763 373 E HN 0.713 nan 8.360 nan 0.000 0.491 374 W N 0.116 121.275 121.300 -0.236 0.000 2.465 374 W HA -0.081 4.579 4.660 -0.001 0.000 0.268 374 W C 1.492 177.870 176.519 -0.235 0.000 1.242 374 W CA 0.069 57.135 57.345 -0.464 0.000 1.248 374 W CB -0.634 28.087 29.460 -1.232 0.000 1.118 374 W HN -0.019 nan 8.180 nan 0.000 0.587 375 F N 1.943 121.343 119.950 -0.917 0.000 2.274 375 F HA 0.309 4.835 4.527 -0.001 0.000 0.288 375 F C 0.646 176.213 175.800 -0.389 0.000 1.069 375 F CA 1.140 58.706 58.000 -0.724 0.000 1.343 375 F CB -0.092 38.177 39.000 -1.219 0.000 1.089 375 F HN -0.224 nan 8.300 nan 0.000 0.517 376 S N -1.159 114.242 115.700 -0.499 0.000 2.536 376 S HA 0.370 4.839 4.470 -0.001 0.000 0.271 376 S C -1.530 172.935 174.600 -0.224 0.000 1.134 376 S CA -0.611 57.355 58.200 -0.389 0.000 0.897 376 S CB 0.264 63.324 63.200 -0.234 0.000 1.094 376 S HN 0.097 nan 8.310 nan 0.000 0.473 377 Y N 4.012 124.261 120.300 -0.085 0.000 2.712 377 Y HA 0.102 4.651 4.550 -0.001 0.000 0.333 377 Y C -0.942 174.936 175.900 -0.037 0.000 1.225 377 Y CA -0.717 57.350 58.100 -0.055 0.000 1.499 377 Y CB 0.308 38.741 38.460 -0.045 0.000 1.288 377 Y HN 0.573 nan 8.280 nan 0.000 0.575 378 P HA -0.260 nan 4.420 nan 0.000 0.216 378 P C 0.971 178.307 177.300 0.062 0.000 1.150 378 P CA 1.996 65.133 63.100 0.062 0.000 0.843 378 P CB 0.197 31.924 31.700 0.045 0.000 0.787 379 E N 0.104 120.347 120.200 0.072 0.000 2.204 379 E HA -0.084 4.266 4.350 -0.001 0.000 0.195 379 E C 1.967 178.588 176.600 0.035 0.000 0.990 379 E CA 1.021 57.443 56.400 0.036 0.000 0.821 379 E CB -1.294 28.412 29.700 0.010 0.000 0.750 379 E HN 0.118 nan 8.360 nan 0.000 0.477 380 V N 1.548 121.503 119.914 0.068 0.000 2.323 380 V HA -0.181 3.938 4.120 -0.001 0.000 0.244 380 V C 2.656 178.783 176.094 0.055 0.000 1.041 380 V CA 1.225 63.559 62.300 0.056 0.000 1.025 380 V CB -0.178 31.706 31.823 0.101 0.000 0.656 380 V HN 0.101 nan 8.190 nan 0.000 0.451 381 V N 0.234 120.190 119.914 0.069 0.000 2.332 381 V HA -0.335 3.784 4.120 -0.001 0.000 0.248 381 V C 2.436 178.551 176.094 0.034 0.000 1.055 381 V CA 2.474 64.809 62.300 0.059 0.000 1.038 381 V CB -0.704 31.143 31.823 0.039 0.000 0.651 381 V HN 0.570 nan 8.190 nan 0.000 0.450 382 K N -0.116 120.299 120.400 0.025 0.000 2.103 382 K HA -0.178 4.141 4.320 -0.001 0.000 0.207 382 K C 2.063 178.668 176.600 0.009 0.000 1.048 382 K CA 1.744 58.040 56.287 0.014 0.000 0.930 382 K CB -0.231 32.276 32.500 0.012 0.000 0.716 382 K HN 0.442 nan 8.250 nan 0.000 0.444 383 I N 0.996 121.570 120.570 0.007 0.000 2.252 383 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 383 I C 2.124 178.239 176.117 -0.003 0.000 1.102 383 I CA 1.014 62.311 61.300 -0.004 0.000 1.385 383 I CB -0.148 37.840 38.000 -0.019 0.000 1.064 383 I HN 0.184 nan 8.210 nan 0.000 0.414 384 L N 0.075 121.303 121.223 0.009 0.000 2.083 384 L HA -0.186 4.153 4.340 -0.001 0.000 0.209 384 L C 2.721 179.600 176.870 0.015 0.000 1.083 384 L CA 1.328 56.179 54.840 0.018 0.000 0.752 384 L CB -0.590 41.501 42.059 0.054 0.000 0.899 384 L HN 0.186 nan 8.230 nan 0.000 0.433 385 R N 0.025 120.533 120.500 0.013 0.000 2.092 385 R HA -0.142 4.197 4.340 -0.001 0.000 0.231 385 R C 2.166 178.466 176.300 0.001 0.000 1.119 385 R CA 1.217 57.320 56.100 0.005 0.000 0.970 385 R CB -0.190 30.111 30.300 0.002 0.000 0.864 385 R HN 0.460 nan 8.270 nan 0.000 0.440 386 E N 0.045 120.245 120.200 -0.000 0.000 2.077 386 E HA -0.120 4.229 4.350 -0.001 0.000 0.193 386 E C 1.918 178.514 176.600 -0.006 0.000 0.989 386 E CA 1.377 57.775 56.400 -0.003 0.000 0.800 386 E CB 0.055 29.752 29.700 -0.005 0.000 0.746 386 E HN 0.177 nan 8.360 nan 0.000 0.452 387 S N 0.306 116.003 115.700 -0.005 0.000 2.436 387 S HA -0.055 4.414 4.470 -0.001 0.000 0.228 387 S C 0.935 175.534 174.600 -0.002 0.000 1.014 387 S CA 0.321 58.517 58.200 -0.007 0.000 0.950 387 S CB -0.034 63.160 63.200 -0.009 0.000 0.784 387 S HN 0.220 nan 8.310 nan 0.000 0.504 388 N N 1.623 120.325 118.700 0.002 0.000 2.813 388 N HA 0.199 4.939 4.740 -0.001 0.000 0.282 388 N C -3.057 172.454 175.510 0.001 0.000 1.748 388 N CA -1.669 51.384 53.050 0.006 0.000 0.860 388 N CB 1.005 39.498 38.487 0.011 0.000 1.204 388 N HN 0.095 nan 8.380 nan 0.000 0.490 389 P HA 0.131 nan 4.420 nan 0.000 0.269 389 P C -2.728 174.562 177.300 -0.017 0.000 1.215 389 P CA -0.718 62.380 63.100 -0.004 0.000 0.780 389 P CB 0.495 32.198 31.700 0.005 0.000 0.898 390 P HA 0.147 nan 4.420 nan 0.000 0.274 390 P C 1.111 178.354 177.300 -0.096 0.000 1.246 390 P CA -0.297 62.764 63.100 -0.065 0.000 0.795 390 P CB 0.751 32.415 31.700 -0.061 0.000 1.006 391 R N 0.922 121.309 120.500 -0.188 0.000 2.140 391 R HA -0.151 4.188 4.340 -0.001 0.000 0.250 391 R C -0.661 175.511 176.300 -0.214 0.000 1.150 391 R CA 2.211 58.099 56.100 -0.355 0.000 0.966 391 R CB -2.593 27.364 30.300 -0.572 0.000 0.869 391 R HN 0.506 nan 8.270 nan 0.000 0.445 392 P HA -0.075 nan 4.420 nan 0.000 0.225 392 P C 0.650 177.990 177.300 0.067 0.000 1.148 392 P CA 1.226 64.321 63.100 -0.008 0.000 0.779 392 P CB 0.124 31.807 31.700 -0.028 0.000 0.780 393 K N -1.412 119.013 120.400 0.042 0.000 2.374 393 K HA 0.197 4.517 4.320 -0.001 0.000 0.202 393 K C 0.617 177.273 176.600 0.093 0.000 1.040 393 K CA 0.102 56.427 56.287 0.064 0.000 1.085 393 K CB 0.477 32.995 32.500 0.030 0.000 0.873 393 K HN 0.364 nan 8.250 nan 0.000 0.539 394 Q N 0.035 119.920 119.800 0.142 0.000 2.260 394 Q HA 0.386 4.726 4.340 -0.001 0.000 0.242 394 Q C 0.491 176.696 176.000 0.341 0.000 0.932 394 Q CA -0.434 55.499 55.803 0.217 0.000 0.891 394 Q CB 1.252 30.126 28.738 0.226 0.000 1.222 394 Q HN 0.143 nan 8.270 nan 0.000 0.453 395 G N 0.604 109.543 108.800 0.231 0.000 2.557 395 G HA2 0.609 4.568 3.960 -0.001 0.000 0.292 395 G HA3 0.609 4.568 3.960 -0.001 0.000 0.292 395 G C -0.874 174.157 174.900 0.219 0.000 1.237 395 G CA -0.249 44.910 45.100 0.098 0.000 0.978 395 G HN 0.567 nan 8.290 nan 0.000 0.498 396 F N -2.921 117.022 119.950 -0.012 0.000 2.858 396 F HA 0.747 5.273 4.527 -0.001 0.000 0.319 396 F C -0.810 174.983 175.800 -0.012 0.000 1.166 396 F CA -1.463 56.484 58.000 -0.087 0.000 0.899 396 F CB 1.103 39.841 39.000 -0.436 0.000 1.332 396 F HN 0.493 nan 8.300 nan 0.000 0.461 397 S N 0.998 116.904 115.700 0.344 0.000 2.547 397 S HA 0.782 5.252 4.470 -0.001 0.000 0.281 397 S C -1.272 173.586 174.600 0.431 0.000 1.118 397 S CA -0.562 57.822 58.200 0.306 0.000 0.947 397 S CB 1.780 65.094 63.200 0.190 0.000 1.053 397 S HN 0.609 nan 8.310 nan 0.000 0.482 398 I N 2.504 123.331 120.570 0.428 0.000 2.362 398 I HA 0.418 4.587 4.170 -0.001 0.000 0.289 398 I C -0.829 175.428 176.117 0.233 0.000 0.994 398 I CA -0.673 60.830 61.300 0.338 0.000 1.158 398 I CB 1.688 39.917 38.000 0.382 0.000 1.315 398 I HN 0.261 nan 8.210 nan 0.000 0.451 399 V N 7.153 127.155 119.914 0.147 0.000 2.370 399 V HA 0.318 4.438 4.120 -0.001 0.000 0.279 399 V C 0.261 176.369 176.094 0.024 0.000 1.029 399 V CA -0.715 61.631 62.300 0.075 0.000 0.870 399 V CB 1.450 33.242 31.823 -0.052 0.000 0.984 399 V HN 0.460 nan 8.190 nan 0.000 0.451 400 L N 5.254 126.496 121.223 0.031 0.000 2.385 400 L HA 0.344 4.683 4.340 -0.001 0.000 0.281 400 L C 1.282 178.132 176.870 -0.034 0.000 1.106 400 L CA 0.120 54.962 54.840 0.003 0.000 0.856 400 L CB 0.067 42.132 42.059 0.010 0.000 1.186 400 L HN 0.808 nan 8.230 nan 0.000 0.453 401 G N 2.401 111.173 108.800 -0.048 0.000 2.614 401 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.239 401 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.239 401 G C 0.881 175.748 174.900 -0.056 0.000 1.240 401 G CA -0.478 44.581 45.100 -0.069 0.000 0.842 401 G HN 0.704 nan 8.290 nan 0.000 0.584 402 N N 0.174 118.836 118.700 -0.064 0.000 2.205 402 N HA -0.186 4.553 4.740 -0.001 0.000 0.186 402 N C 2.641 178.131 175.510 -0.034 0.000 1.015 402 N CA 1.560 54.583 53.050 -0.046 0.000 0.862 402 N CB -0.215 38.244 38.487 -0.047 0.000 0.986 402 N HN 0.585 nan 8.380 nan 0.000 0.429 403 S N 0.593 116.273 115.700 -0.034 0.000 2.419 403 S HA -0.057 4.412 4.470 -0.001 0.000 0.233 403 S C 1.035 175.620 174.600 -0.025 0.000 1.016 403 S CA 0.149 58.333 58.200 -0.027 0.000 0.974 403 S CB -0.593 62.592 63.200 -0.025 0.000 0.786 403 S HN 0.213 nan 8.310 nan 0.000 0.492 404 L N 2.687 123.894 121.223 -0.027 0.000 2.540 404 L HA 0.075 4.414 4.340 -0.001 0.000 0.276 404 L C 1.657 178.512 176.870 -0.024 0.000 1.212 404 L CA 0.464 55.289 54.840 -0.025 0.000 0.893 404 L CB 0.521 42.565 42.059 -0.025 0.000 1.138 404 L HN 0.475 nan 8.230 nan 0.000 0.491 405 T N -1.213 113.326 114.554 -0.025 0.000 3.010 405 T HA 0.148 4.498 4.350 -0.001 0.000 0.257 405 T C 0.453 175.137 174.700 -0.028 0.000 1.020 405 T CA -0.033 62.052 62.100 -0.025 0.000 0.938 405 T CB 0.011 68.865 68.868 -0.024 0.000 1.049 405 T HN 0.327 nan 8.240 nan 0.000 0.522 406 V N 0.544 120.440 119.914 -0.031 0.000 3.185 406 V HA 0.524 4.643 4.120 -0.001 0.000 0.305 406 V C 0.734 176.809 176.094 -0.031 0.000 1.090 406 V CA -1.029 61.251 62.300 -0.034 0.000 1.107 406 V CB 0.702 32.502 31.823 -0.039 0.000 1.061 406 V HN 0.320 nan 8.190 nan 0.000 0.480 407 S N 1.221 116.902 115.700 -0.032 0.000 2.515 407 S HA 0.158 4.627 4.470 -0.001 0.000 0.285 407 S C 1.123 175.705 174.600 -0.030 0.000 1.265 407 S CA 0.094 58.276 58.200 -0.030 0.000 1.079 407 S CB -0.009 63.172 63.200 -0.031 0.000 0.877 407 S HN 0.804 nan 8.310 nan 0.000 0.493 408 R N 3.117 123.600 120.500 -0.028 0.000 2.115 408 R HA -0.025 4.314 4.340 -0.001 0.000 0.226 408 R C 2.263 178.546 176.300 -0.028 0.000 1.100 408 R CA 1.441 57.526 56.100 -0.025 0.000 0.980 408 R CB -0.142 30.144 30.300 -0.023 0.000 0.875 408 R HN 0.858 nan 8.270 nan 0.000 0.445 409 E N 0.540 120.722 120.200 -0.030 0.000 2.047 409 E HA -0.205 4.144 4.350 -0.001 0.000 0.191 409 E C 1.783 178.360 176.600 -0.038 0.000 0.987 409 E CA 1.010 57.390 56.400 -0.033 0.000 0.799 409 E CB 0.255 29.936 29.700 -0.032 0.000 0.752 409 E HN 0.180 nan 8.360 nan 0.000 0.449 410 Q N 0.308 120.085 119.800 -0.039 0.000 2.079 410 Q HA -0.128 4.211 4.340 -0.001 0.000 0.200 410 Q C 2.332 178.300 176.000 -0.053 0.000 0.974 410 Q CA 0.764 56.540 55.803 -0.045 0.000 0.840 410 Q CB -0.431 28.283 28.738 -0.041 0.000 0.898 410 Q HN 0.321 nan 8.270 nan 0.000 0.430 411 L N 0.635 121.830 121.223 -0.047 0.000 2.131 411 L HA -0.076 4.263 4.340 -0.001 0.000 0.210 411 L C 2.030 178.860 176.870 -0.068 0.000 1.092 411 L CA 1.617 56.426 54.840 -0.053 0.000 0.759 411 L CB -0.558 41.479 42.059 -0.037 0.000 0.903 411 L HN -0.019 nan 8.230 nan 0.000 0.435 412 S N -0.295 115.373 115.700 -0.053 0.000 2.368 412 S HA -0.066 4.403 4.470 -0.001 0.000 0.224 412 S C 1.955 176.502 174.600 -0.089 0.000 1.029 412 S CA 1.615 59.784 58.200 -0.052 0.000 0.988 412 S CB -0.362 62.826 63.200 -0.021 0.000 0.838 412 S HN 0.487 nan 8.310 nan 0.000 0.462 413 I N 1.671 122.193 120.570 -0.081 0.000 2.226 413 I HA -0.217 3.952 4.170 -0.001 0.000 0.245 413 I C 2.679 178.714 176.117 -0.136 0.000 1.100 413 I CA 1.118 62.362 61.300 -0.093 0.000 1.374 413 I CB -0.473 37.485 38.000 -0.070 0.000 1.057 413 I HN 0.265 nan 8.210 nan 0.000 0.413 414 A N 0.873 123.613 122.820 -0.133 0.000 1.902 414 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 414 A C 2.298 179.724 177.584 -0.263 0.000 1.181 414 A CA 1.324 53.266 52.037 -0.158 0.000 0.623 414 A CB -0.756 18.176 19.000 -0.113 0.000 0.818 414 A HN 0.366 nan 8.150 nan 0.000 0.443 415 L N -1.146 119.887 121.223 -0.318 0.000 2.017 415 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 415 L C 2.570 178.929 176.870 -0.852 0.000 1.073 415 L CA 1.208 55.666 54.840 -0.636 0.000 0.745 415 L CB -0.538 41.206 42.059 -0.525 0.000 0.894 415 L HN 0.481 nan 8.230 nan 0.000 0.432 416 L N -0.537 120.414 121.223 -0.453 0.000 1.989 416 L HA -0.209 4.130 4.340 -0.001 0.000 0.211 416 L C 2.618 179.295 176.870 -0.321 0.000 1.071 416 L CA 1.950 56.605 54.840 -0.309 0.000 0.749 416 L CB -0.623 41.352 42.059 -0.140 0.000 0.890 416 L HN 0.087 nan 8.230 nan 0.000 0.431 417 S N -0.980 114.560 115.700 -0.266 0.000 2.370 417 S HA -0.209 4.260 4.470 -0.001 0.000 0.226 417 S C 1.790 176.201 174.600 -0.314 0.000 1.033 417 S CA 1.771 59.832 58.200 -0.232 0.000 1.011 417 S CB -0.670 62.427 63.200 -0.171 0.000 0.852 417 S HN 0.639 nan 8.310 nan 0.000 0.457 418 T N 2.146 116.468 114.554 -0.386 0.000 2.674 418 T HA -0.043 4.306 4.350 -0.001 0.000 0.265 418 T C 1.437 175.687 174.700 -0.751 0.000 1.039 418 T CA 1.208 63.035 62.100 -0.454 0.000 1.150 418 T CB -0.452 68.213 68.868 -0.339 0.000 0.864 418 T HN 0.282 nan 8.240 nan 0.000 0.427 419 F N 1.346 120.856 119.950 -0.733 0.000 2.161 419 F HA 0.068 4.594 4.527 -0.001 0.000 0.300 419 F C 2.117 177.337 175.800 -0.967 0.000 1.089 419 F CA 0.054 57.455 58.000 -0.999 0.000 1.282 419 F CB -1.349 37.043 39.000 -1.014 0.000 1.010 419 F HN 0.122 nan 8.300 nan 0.000 0.485 420 L N -0.486 120.458 121.223 -0.464 0.000 2.450 420 L HA -0.210 4.129 4.340 -0.001 0.000 0.224 420 L C 2.202 178.949 176.870 -0.205 0.000 1.149 420 L CA 0.836 55.534 54.840 -0.238 0.000 0.816 420 L CB -0.634 41.337 42.059 -0.148 0.000 0.932 420 L HN 0.247 nan 8.230 nan 0.000 0.449 421 Q N -0.466 119.101 119.800 -0.389 0.000 2.172 421 Q HA -0.029 4.310 4.340 -0.001 0.000 0.200 421 Q C 0.417 176.437 176.000 0.034 0.000 0.964 421 Q CA 0.614 56.293 55.803 -0.207 0.000 0.855 421 Q CB -0.015 28.573 28.738 -0.250 0.000 0.918 421 Q HN 0.398 nan 8.270 nan 0.000 0.444 422 F N 0.511 120.475 119.950 0.023 0.000 2.459 422 F HA 0.178 4.704 4.527 -0.001 0.000 0.346 422 F C 1.469 177.308 175.800 0.065 0.000 1.128 422 F CA -0.915 57.115 58.000 0.050 0.000 1.268 422 F CB 0.375 39.297 39.000 -0.132 0.000 1.161 422 F HN 0.030 nan 8.300 nan 0.000 0.583 423 G N 0.276 109.230 108.800 0.256 0.000 2.485 423 G HA2 0.428 4.387 3.960 -0.001 0.000 0.260 423 G HA3 0.428 4.387 3.960 -0.001 0.000 0.260 423 G C 0.888 175.891 174.900 0.172 0.000 1.459 423 G CA -0.135 45.067 45.100 0.170 0.000 1.060 423 G HN 1.139 nan 8.290 nan 0.000 0.546 424 G N -2.632 106.244 108.800 0.127 0.000 2.349 424 G HA2 0.250 4.209 3.960 -0.001 0.000 0.213 424 G HA3 0.250 4.209 3.960 -0.001 0.000 0.213 424 G C 1.628 176.601 174.900 0.121 0.000 1.044 424 G CA 1.074 46.249 45.100 0.124 0.000 0.633 424 G HN 2.536 nan 8.290 nan 0.000 0.506 425 G N -0.197 108.688 108.800 0.141 0.000 2.176 425 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.232 425 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.232 425 G C 0.306 175.263 174.900 0.095 0.000 0.986 425 G CA 1.235 46.404 45.100 0.114 0.000 0.643 425 G HN 1.244 nan 8.290 nan 0.000 0.522 426 R N -0.187 120.362 120.500 0.082 0.000 2.590 426 R HA 0.461 4.800 4.340 -0.001 0.000 0.274 426 R C -0.220 175.926 176.300 -0.256 0.000 1.061 426 R CA -0.483 55.551 56.100 -0.109 0.000 1.081 426 R CB 0.152 30.323 30.300 -0.216 0.000 0.984 426 R HN 0.263 nan 8.270 nan 0.000 0.448 427 Y N 3.864 123.940 120.300 -0.373 0.000 2.323 427 Y HA 0.262 4.811 4.550 -0.001 0.000 0.331 427 Y C -1.335 174.272 175.900 -0.488 0.000 1.092 427 Y CA -0.203 57.739 58.100 -0.264 0.000 1.150 427 Y CB 0.728 39.130 38.460 -0.097 0.000 1.200 427 Y HN 0.487 nan 8.280 nan 0.000 0.472 428 Y N 4.506 124.605 120.300 -0.335 0.000 2.468 428 Y HA 0.577 5.127 4.550 -0.001 0.000 0.342 428 Y C -0.330 175.437 175.900 -0.223 0.000 1.021 428 Y CA -1.093 56.908 58.100 -0.165 0.000 1.079 428 Y CB 1.971 40.426 38.460 -0.007 0.000 1.226 428 Y HN 0.414 nan 8.280 nan 0.000 0.460 429 K N 2.590 123.030 120.400 0.067 0.000 2.557 429 K HA 0.460 4.779 4.320 -0.001 0.000 0.257 429 K C -1.835 174.812 176.600 0.079 0.000 0.933 429 K CA -0.549 55.755 56.287 0.030 0.000 0.820 429 K CB 1.701 34.181 32.500 -0.034 0.000 1.330 429 K HN 0.728 nan 8.250 nan 0.000 0.432 430 I N 4.189 124.807 120.570 0.079 0.000 2.352 430 I HA 0.184 4.354 4.170 -0.001 0.000 0.290 430 I C -0.494 175.704 176.117 0.136 0.000 1.036 430 I CA -0.391 60.967 61.300 0.096 0.000 1.336 430 I CB 0.324 38.347 38.000 0.040 0.000 1.407 430 I HN 0.406 nan 8.210 nan 0.000 0.497 431 F N 6.963 126.915 119.950 0.003 0.000 2.403 431 F HA 0.361 4.887 4.527 -0.001 0.000 0.355 431 F C 0.012 175.843 175.800 0.051 0.000 1.119 431 F CA -0.497 57.510 58.000 0.011 0.000 1.007 431 F CB 0.793 39.792 39.000 -0.002 0.000 1.194 431 F HN 0.400 nan 8.300 nan 0.000 0.443 432 E N 5.914 125.865 120.200 -0.416 0.000 2.115 432 E HA 0.105 4.454 4.350 -0.001 0.000 0.282 432 E C 0.309 176.549 176.600 -0.599 0.000 0.987 432 E CA -0.270 55.886 56.400 -0.408 0.000 0.797 432 E CB 0.609 30.142 29.700 -0.278 0.000 1.086 432 E HN 0.758 nan 8.360 nan 0.000 0.397 433 H N 2.411 121.339 119.070 -0.236 0.000 2.582 433 H HA 0.126 4.681 4.556 -0.001 0.000 0.269 433 H C -0.041 175.263 175.328 -0.041 0.000 0.962 433 H CA 0.121 56.081 56.048 -0.148 0.000 1.230 433 H CB 0.091 29.936 29.762 0.139 0.000 1.445 433 H HN 0.590 nan 8.280 nan 0.000 0.528 434 N N 1.335 119.878 118.700 -0.262 0.000 2.696 434 N HA -0.306 4.434 4.740 -0.001 0.000 0.249 434 N C -0.371 175.234 175.510 0.157 0.000 1.090 434 N CA 0.624 53.640 53.050 -0.056 0.000 0.716 434 N CB -1.200 37.251 38.487 -0.061 0.000 1.020 434 N HN 0.529 nan 8.380 nan 0.000 0.548 435 N N -1.039 117.956 118.700 0.491 0.000 2.714 435 N HA -0.223 4.516 4.740 -0.001 0.000 0.250 435 N C -1.295 174.328 175.510 0.187 0.000 1.117 435 N CA 1.502 54.776 53.050 0.374 0.000 0.719 435 N CB -0.291 38.346 38.487 0.251 0.000 1.081 435 N HN 0.487 nan 8.380 nan 0.000 0.557 436 K N -0.502 119.995 120.400 0.162 0.000 2.211 436 K HA 0.237 4.556 4.320 -0.001 0.000 0.275 436 K C 1.176 177.813 176.600 0.062 0.000 1.024 436 K CA -0.162 56.177 56.287 0.086 0.000 0.887 436 K CB 0.894 33.432 32.500 0.063 0.000 1.084 436 K HN 0.037 nan 8.250 nan 0.000 0.463 437 T N 2.025 116.596 114.554 0.028 0.000 2.737 437 T HA -0.205 4.144 4.350 -0.001 0.000 0.269 437 T C 1.559 176.265 174.700 0.012 0.000 1.040 437 T CA 1.871 63.969 62.100 -0.003 0.000 1.142 437 T CB -0.120 68.742 68.868 -0.011 0.000 0.861 437 T HN 0.741 nan 8.240 nan 0.000 0.456 438 E N 0.962 121.180 120.200 0.030 0.000 2.265 438 E HA -0.071 4.279 4.350 -0.001 0.000 0.196 438 E C 1.945 178.600 176.600 0.091 0.000 0.996 438 E CA 0.890 57.315 56.400 0.041 0.000 0.832 438 E CB -0.407 29.314 29.700 0.035 0.000 0.756 438 E HN 0.449 nan 8.360 nan 0.000 0.491 439 L N 0.174 121.474 121.223 0.129 0.000 2.316 439 L HA 0.073 4.413 4.340 -0.001 0.000 0.207 439 L C 2.495 179.579 176.870 0.357 0.000 1.070 439 L CA 0.097 55.101 54.840 0.274 0.000 0.820 439 L CB -0.133 42.020 42.059 0.155 0.000 0.992 439 L HN 0.094 nan 8.230 nan 0.000 0.466 440 L N 0.112 121.430 121.223 0.158 0.000 2.083 440 L HA -0.194 4.145 4.340 -0.001 0.000 0.209 440 L C 2.716 179.530 176.870 -0.093 0.000 1.083 440 L CA 1.640 56.461 54.840 -0.032 0.000 0.752 440 L CB -0.499 41.410 42.059 -0.250 0.000 0.899 440 L HN 0.379 nan 8.230 nan 0.000 0.433 441 S N -0.640 115.031 115.700 -0.049 0.000 2.547 441 S HA -0.044 4.425 4.470 -0.001 0.000 0.235 441 S C 1.668 176.231 174.600 -0.063 0.000 0.980 441 S CA 0.548 58.704 58.200 -0.073 0.000 0.941 441 S CB -0.364 62.805 63.200 -0.052 0.000 0.763 441 S HN 0.419 nan 8.310 nan 0.000 0.532 442 L N 0.277 121.495 121.223 -0.009 0.000 2.529 442 L HA 0.294 4.633 4.340 -0.001 0.000 0.223 442 L C 2.098 178.891 176.870 -0.128 0.000 1.113 442 L CA 0.127 54.929 54.840 -0.064 0.000 0.861 442 L CB -0.425 41.675 42.059 0.067 0.000 1.012 442 L HN 0.277 nan 8.230 nan 0.000 0.461 443 I N -0.150 120.335 120.570 -0.143 0.000 2.163 443 I HA -0.301 3.869 4.170 -0.001 0.000 0.243 443 I C 2.480 178.538 176.117 -0.097 0.000 1.085 443 I CA 1.292 62.487 61.300 -0.175 0.000 1.347 443 I CB -0.218 37.685 38.000 -0.161 0.000 1.044 443 I HN 0.365 nan 8.210 nan 0.000 0.408 444 Q N 0.212 119.951 119.800 -0.102 0.000 2.369 444 Q HA -0.149 4.190 4.340 -0.001 0.000 0.206 444 Q C 1.608 177.552 176.000 -0.092 0.000 0.963 444 Q CA 1.047 56.805 55.803 -0.075 0.000 0.894 444 Q CB -0.296 28.400 28.738 -0.069 0.000 0.965 444 Q HN 0.537 nan 8.270 nan 0.000 0.475 445 D N -0.438 119.870 120.400 -0.152 0.000 2.123 445 D HA -0.077 4.562 4.640 -0.001 0.000 0.200 445 D C 1.683 177.820 176.300 -0.271 0.000 0.976 445 D CA 0.734 54.594 54.000 -0.233 0.000 0.831 445 D CB -0.224 40.378 40.800 -0.330 0.000 0.974 445 D HN 0.229 nan 8.370 nan 0.000 0.469 446 F N 0.912 120.757 119.950 -0.175 0.000 2.146 446 F HA -0.039 4.487 4.527 -0.001 0.000 0.298 446 F C 2.462 178.174 175.800 -0.147 0.000 1.096 446 F CA 0.488 58.381 58.000 -0.179 0.000 1.275 446 F CB -0.115 38.734 39.000 -0.252 0.000 1.008 446 F HN -0.114 nan 8.300 nan 0.000 0.480 447 I N -0.362 120.236 120.570 0.045 0.000 2.226 447 I HA -0.243 3.926 4.170 -0.001 0.000 0.245 447 I C 2.710 178.835 176.117 0.013 0.000 1.100 447 I CA 1.501 62.811 61.300 0.016 0.000 1.374 447 I CB -1.072 36.939 38.000 0.018 0.000 1.057 447 I HN 0.182 nan 8.210 nan 0.000 0.413 448 G N -0.277 108.512 108.800 -0.018 0.000 2.470 448 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.220 448 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.220 448 G C 1.560 176.439 174.900 -0.034 0.000 1.121 448 G CA 0.756 45.840 45.100 -0.027 0.000 0.766 448 G HN 0.390 nan 8.290 nan 0.000 0.553 449 S N -0.162 115.510 115.700 -0.046 0.000 2.593 449 S HA 0.349 4.818 4.470 -0.001 0.000 0.217 449 S C 1.799 176.391 174.600 -0.014 0.000 0.966 449 S CA 0.690 58.861 58.200 -0.048 0.000 0.914 449 S CB 0.134 63.287 63.200 -0.079 0.000 0.776 449 S HN 1.136 nan 8.310 nan 0.000 0.523 450 G N 1.441 110.243 108.800 0.003 0.000 2.157 450 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.248 450 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.248 450 G C 0.159 175.032 174.900 -0.045 0.000 0.979 450 G CA 0.178 45.285 45.100 0.012 0.000 0.650 450 G HN 0.507 nan 8.290 nan 0.000 0.529 451 S N -0.199 115.469 115.700 -0.053 0.000 2.617 451 S HA 0.614 5.083 4.470 -0.001 0.000 0.269 451 S C 0.667 175.033 174.600 -0.391 0.000 1.292 451 S CA 0.187 58.299 58.200 -0.146 0.000 1.010 451 S CB 1.780 65.014 63.200 0.058 0.000 0.944 451 S HN 1.358 nan 8.310 nan 0.000 0.536 452 G N 1.374 109.804 108.800 -0.616 0.000 2.437 452 G HA2 0.581 4.540 3.960 -0.001 0.000 0.315 452 G HA3 0.581 4.540 3.960 -0.001 0.000 0.315 452 G C -0.842 173.870 174.900 -0.313 0.000 1.210 452 G CA -0.572 43.961 45.100 -0.945 0.000 0.943 452 G HN 0.559 nan 8.290 nan 0.000 0.471 453 L N 2.412 123.494 121.223 -0.235 0.000 2.322 453 L HA 0.548 4.887 4.340 -0.001 0.000 0.279 453 L C -0.311 176.670 176.870 0.185 0.000 1.036 453 L CA -0.858 53.972 54.840 -0.017 0.000 0.807 453 L CB 2.150 44.164 42.059 -0.074 0.000 1.226 453 L HN 0.334 nan 8.230 nan 0.000 0.433 454 I N 4.012 124.715 120.570 0.223 0.000 2.382 454 I HA 0.346 4.515 4.170 -0.001 0.000 0.285 454 I C -0.398 175.852 176.117 0.221 0.000 1.007 454 I CA -0.111 61.337 61.300 0.246 0.000 1.142 454 I CB 1.573 39.687 38.000 0.189 0.000 1.289 454 I HN 0.402 nan 8.210 nan 0.000 0.453 455 I N 9.053 129.770 120.570 0.245 0.000 2.330 455 I HA 0.260 4.429 4.170 -0.001 0.000 0.286 455 I C -1.315 174.903 176.117 0.169 0.000 1.025 455 I CA -1.641 59.825 61.300 0.277 0.000 1.197 455 I CB 1.448 39.702 38.000 0.423 0.000 1.358 455 I HN 0.392 nan 8.210 nan 0.000 0.467 456 P HA -0.097 nan 4.420 nan 0.000 0.228 456 P C -0.675 176.636 177.300 0.019 0.000 1.151 456 P CA 1.124 64.245 63.100 0.034 0.000 0.770 456 P CB -0.196 31.501 31.700 -0.004 0.000 0.786 457 D N -3.152 117.277 120.400 0.049 0.000 2.654 457 D HA 0.212 4.851 4.640 -0.001 0.000 0.231 457 D C -0.744 175.634 176.300 0.129 0.000 1.239 457 D CA -0.885 53.139 54.000 0.040 0.000 0.790 457 D CB 0.505 41.305 40.800 0.000 0.000 1.480 457 D HN -0.138 nan 8.370 nan 0.000 0.442 458 Q N 0.103 119.887 119.800 -0.027 0.000 2.417 458 Q HA 0.410 4.749 4.340 -0.001 0.000 0.241 458 Q C -0.614 175.384 176.000 -0.004 0.000 1.008 458 Q CA -0.608 55.037 55.803 -0.264 0.000 0.901 458 Q CB 0.788 29.301 28.738 -0.374 0.000 1.259 458 Q HN 0.652 nan 8.270 nan 0.000 0.489 459 W N -0.214 121.134 121.300 0.079 0.000 2.298 459 W HA 0.405 5.064 4.660 -0.002 0.000 0.358 459 W C -0.103 176.438 176.519 0.037 0.000 1.241 459 W CA -1.050 56.315 57.345 0.034 0.000 1.385 459 W CB 0.316 29.639 29.460 -0.229 0.000 1.225 459 W HN 0.275 nan 8.180 nan 0.000 0.654 460 E N 1.308 121.687 120.200 0.298 0.000 2.404 460 E HA -0.052 4.297 4.350 -0.001 0.000 0.261 460 E C 0.876 177.613 176.600 0.230 0.000 1.074 460 E CA 0.052 56.561 56.400 0.182 0.000 0.917 460 E CB 0.524 30.308 29.700 0.141 0.000 0.965 460 E HN 0.444 nan 8.360 nan 0.000 0.433 461 D N 1.119 121.602 120.400 0.138 0.000 2.182 461 D HA -0.200 4.439 4.640 -0.001 0.000 0.201 461 D C 0.980 177.363 176.300 0.138 0.000 0.986 461 D CA 1.528 55.610 54.000 0.136 0.000 0.847 461 D CB -0.204 40.642 40.800 0.076 0.000 0.942 461 D HN 0.546 nan 8.370 nan 0.000 0.467 462 D N -0.508 119.957 120.400 0.109 0.000 2.352 462 D HA -0.056 4.583 4.640 -0.001 0.000 0.232 462 D C 1.119 177.463 176.300 0.073 0.000 1.055 462 D CA 0.454 54.502 54.000 0.079 0.000 0.891 462 D CB 0.134 40.969 40.800 0.059 0.000 0.897 462 D HN -0.018 nan 8.370 nan 0.000 0.529 463 K N -0.238 120.228 120.400 0.110 0.000 2.373 463 K HA 0.072 4.391 4.320 -0.001 0.000 0.200 463 K C 0.587 177.162 176.600 -0.041 0.000 1.054 463 K CA 0.056 56.361 56.287 0.030 0.000 1.065 463 K CB 0.480 33.004 32.500 0.039 0.000 0.886 463 K HN 0.072 nan 8.250 nan 0.000 0.546 464 D N 1.680 122.154 120.400 0.124 0.000 2.133 464 D HA -0.195 4.444 4.640 -0.001 0.000 0.192 464 D C 1.807 178.108 176.300 0.002 0.000 1.001 464 D CA 2.321 56.413 54.000 0.155 0.000 0.844 464 D CB -0.002 40.928 40.800 0.217 0.000 0.944 464 D HN 0.188 nan 8.370 nan 0.000 0.447 465 S N -0.487 115.214 115.700 0.002 0.000 2.440 465 S HA -0.144 4.325 4.470 -0.001 0.000 0.238 465 S C 1.983 176.543 174.600 -0.068 0.000 1.010 465 S CA 0.804 58.993 58.200 -0.017 0.000 0.972 465 S CB -0.458 62.741 63.200 -0.002 0.000 0.774 465 S HN 0.133 nan 8.310 nan 0.000 0.501 466 V N 0.999 120.836 119.914 -0.128 0.000 2.719 466 V HA 0.113 4.233 4.120 -0.001 0.000 0.252 466 V C 0.828 176.785 176.094 -0.229 0.000 1.065 466 V CA 0.630 62.831 62.300 -0.166 0.000 1.086 466 V CB -0.327 31.383 31.823 -0.188 0.000 0.700 466 V HN 0.461 nan 8.190 nan 0.000 0.467 467 V N 0.888 120.612 119.914 -0.317 0.000 2.370 467 V HA 0.659 4.778 4.120 -0.001 0.000 0.283 467 V C 0.787 176.793 176.094 -0.146 0.000 1.023 467 V CA -0.537 61.559 62.300 -0.340 0.000 0.857 467 V CB 0.749 32.131 31.823 -0.735 0.000 0.985 467 V HN 0.320 nan 8.190 nan 0.000 0.443 468 G N 3.568 112.310 108.800 -0.097 0.000 2.614 468 G HA2 0.224 4.183 3.960 -0.001 0.000 0.239 468 G HA3 0.224 4.183 3.960 -0.001 0.000 0.239 468 G C 0.713 175.612 174.900 -0.001 0.000 1.240 468 G CA -0.403 44.677 45.100 -0.034 0.000 0.842 468 G HN 0.890 nan 8.290 nan 0.000 0.584 469 K N 0.098 120.512 120.400 0.023 0.000 2.393 469 K HA 0.080 4.400 4.320 -0.001 0.000 0.193 469 K C 0.823 177.420 176.600 -0.004 0.000 1.026 469 K CA -0.286 56.022 56.287 0.034 0.000 1.064 469 K CB 0.236 32.768 32.500 0.053 0.000 0.833 469 K HN 0.373 nan 8.250 nan 0.000 0.521 470 Q N 2.762 122.564 119.800 0.002 0.000 2.247 470 Q HA -0.027 4.312 4.340 -0.001 0.000 0.288 470 Q C -0.532 175.451 176.000 -0.028 0.000 1.079 470 Q CA 0.973 56.780 55.803 0.007 0.000 0.932 470 Q CB -0.249 28.508 28.738 0.032 0.000 1.133 470 Q HN 0.424 nan 8.270 nan 0.000 0.377 471 N N 1.170 119.820 118.700 -0.084 0.000 2.741 471 N HA -0.193 4.546 4.740 -0.001 0.000 0.251 471 N C -1.230 173.986 175.510 -0.489 0.000 1.112 471 N CA 0.312 53.249 53.050 -0.188 0.000 0.750 471 N CB -0.880 37.719 38.487 0.187 0.000 1.119 471 N HN 0.250 nan 8.380 nan 0.000 0.561 472 V N 1.564 121.182 119.914 -0.492 0.000 2.370 472 V HA 0.396 4.515 4.120 -0.001 0.000 0.283 472 V C -0.339 175.493 176.094 -0.437 0.000 1.023 472 V CA -0.315 61.822 62.300 -0.271 0.000 0.857 472 V CB 0.699 32.533 31.823 0.018 0.000 0.985 472 V HN 0.082 nan 8.190 nan 0.000 0.443 473 Y N 4.242 124.612 120.300 0.117 0.000 2.376 473 Y HA 0.525 5.074 4.550 -0.001 0.000 0.340 473 Y C -0.014 175.869 175.900 -0.028 0.000 0.965 473 Y CA -0.745 57.372 58.100 0.027 0.000 1.078 473 Y CB 1.849 40.291 38.460 -0.031 0.000 1.193 473 Y HN 0.399 nan 8.280 nan 0.000 0.452 474 L N 5.377 126.640 121.223 0.067 0.000 2.265 474 L HA 0.390 4.729 4.340 -0.001 0.000 0.288 474 L C -1.165 175.673 176.870 -0.053 0.000 1.058 474 L CA -0.957 53.874 54.840 -0.014 0.000 0.809 474 L CB 0.962 42.998 42.059 -0.039 0.000 1.179 474 L HN 0.608 nan 8.230 nan 0.000 0.429 475 L N 5.510 126.704 121.223 -0.049 0.000 2.262 475 L HA 0.512 4.851 4.340 -0.001 0.000 0.288 475 L C -0.927 175.913 176.870 -0.050 0.000 1.035 475 L CA 0.480 55.282 54.840 -0.063 0.000 0.820 475 L CB 1.119 43.159 42.059 -0.032 0.000 1.204 475 L HN 0.697 nan 8.230 nan 0.000 0.424 476 D N 0.754 121.123 120.400 -0.051 0.000 2.710 476 D HA 0.266 4.905 4.640 -0.001 0.000 0.276 476 D C 0.601 176.882 176.300 -0.031 0.000 1.267 476 D CA 0.370 54.346 54.000 -0.040 0.000 0.772 476 D CB 1.435 42.208 40.800 -0.045 0.000 1.299 476 D HN 0.506 nan 8.370 nan 0.000 0.421 477 T N -1.637 112.902 114.554 -0.024 0.000 3.043 477 T HA 0.107 4.456 4.350 -0.001 0.000 0.263 477 T C 1.083 175.776 174.700 -0.013 0.000 1.094 477 T CA 0.583 62.673 62.100 -0.016 0.000 1.127 477 T CB -0.424 68.436 68.868 -0.014 0.000 0.905 477 T HN 0.402 nan 8.240 nan 0.000 0.490 478 S N 2.231 117.921 115.700 -0.016 0.000 2.566 478 S HA 0.139 4.608 4.470 -0.001 0.000 0.280 478 S C 1.558 176.155 174.600 -0.006 0.000 1.343 478 S CA -0.091 58.102 58.200 -0.011 0.000 1.036 478 S CB 0.996 64.188 63.200 -0.014 0.000 0.866 478 S HN 0.544 nan 8.310 nan 0.000 0.526 479 S N 1.066 116.767 115.700 0.001 0.000 2.507 479 S HA -0.116 4.353 4.470 -0.001 0.000 0.235 479 S C 1.725 176.333 174.600 0.012 0.000 0.988 479 S CA 0.737 58.941 58.200 0.008 0.000 0.944 479 S CB -0.980 62.227 63.200 0.011 0.000 0.762 479 S HN 1.120 nan 8.310 nan 0.000 0.526 480 S N 1.365 117.070 115.700 0.008 0.000 2.527 480 S HA 0.468 4.937 4.470 -0.001 0.000 0.222 480 S C 0.898 175.505 174.600 0.011 0.000 0.985 480 S CA 0.043 58.251 58.200 0.014 0.000 0.921 480 S CB -0.652 62.554 63.200 0.010 0.000 0.772 480 S HN 0.795 nan 8.310 nan 0.000 0.529 481 A N 1.961 124.779 122.820 -0.004 0.000 2.531 481 A HA 0.182 4.501 4.320 -0.001 0.000 0.236 481 A C 0.998 178.570 177.584 -0.019 0.000 1.062 481 A CA 0.141 52.165 52.037 -0.021 0.000 0.760 481 A CB 0.045 19.022 19.000 -0.039 0.000 0.995 481 A HN 0.420 nan 8.150 nan 0.000 0.501 482 D N 0.827 121.206 120.400 -0.036 0.000 2.162 482 D HA 0.009 4.648 4.640 -0.001 0.000 0.203 482 D C 0.213 176.346 176.300 -0.278 0.000 0.967 482 D CA 1.447 55.416 54.000 -0.051 0.000 0.840 482 D CB 0.107 40.938 40.800 0.051 0.000 0.972 482 D HN 0.566 nan 8.370 nan 0.000 0.482 483 I N 1.570 121.936 120.570 -0.340 0.000 2.437 483 I HA 0.135 4.305 4.170 -0.001 0.000 0.279 483 I C -0.107 175.920 176.117 -0.150 0.000 1.028 483 I CA -0.474 60.605 61.300 -0.368 0.000 1.142 483 I CB 1.697 39.404 38.000 -0.489 0.000 1.266 483 I HN -0.255 nan 8.210 nan 0.000 0.461 484 Q N 6.162 125.915 119.800 -0.079 0.000 2.288 484 Q HA 0.450 4.790 4.340 -0.001 0.000 0.258 484 Q C -0.967 175.022 176.000 -0.019 0.000 0.957 484 Q CA -0.488 55.294 55.803 -0.035 0.000 0.919 484 Q CB 1.132 29.863 28.738 -0.011 0.000 1.185 484 Q HN 0.597 nan 8.270 nan 0.000 0.408 485 L N 3.547 124.761 121.223 -0.016 0.000 2.371 485 L HA 0.122 4.461 4.340 -0.001 0.000 0.272 485 L C 1.150 178.023 176.870 0.004 0.000 1.124 485 L CA -0.169 54.669 54.840 -0.004 0.000 0.816 485 L CB 0.874 42.926 42.059 -0.011 0.000 1.129 485 L HN 0.784 nan 8.230 nan 0.000 0.448 486 E N 0.728 120.937 120.200 0.015 0.000 2.152 486 E HA -0.082 4.267 4.350 -0.001 0.000 0.192 486 E C 0.056 176.661 176.600 0.007 0.000 0.983 486 E CA 0.807 57.218 56.400 0.018 0.000 0.818 486 E CB 0.401 30.122 29.700 0.035 0.000 0.758 486 E HN 0.685 nan 8.360 nan 0.000 0.467 487 S N -2.972 112.728 115.700 -0.000 0.000 2.588 487 S HA 0.587 5.057 4.470 -0.001 0.000 0.269 487 S C 0.507 175.098 174.600 -0.016 0.000 1.157 487 S CA -0.487 57.708 58.200 -0.008 0.000 0.824 487 S CB 1.024 64.217 63.200 -0.011 0.000 1.126 487 S HN 0.002 nan 8.310 nan 0.000 0.464 488 A N 0.681 123.490 122.820 -0.018 0.000 2.070 488 A HA 0.034 4.354 4.320 -0.001 0.000 0.220 488 A C 1.156 178.723 177.584 -0.028 0.000 1.159 488 A CA 1.821 53.845 52.037 -0.022 0.000 0.656 488 A CB -0.924 18.064 19.000 -0.020 0.000 0.800 488 A HN 0.959 nan 8.150 nan 0.000 0.453 489 D N -0.896 119.484 120.400 -0.033 0.000 2.559 489 D HA 0.130 4.769 4.640 -0.001 0.000 0.234 489 D C 0.214 176.475 176.300 -0.065 0.000 1.226 489 D CA -0.410 53.564 54.000 -0.044 0.000 0.830 489 D CB -0.766 40.010 40.800 -0.041 0.000 1.028 489 D HN 0.491 nan 8.370 nan 0.000 0.492 490 E N 1.329 121.493 120.200 -0.061 0.000 2.502 490 E HA 0.049 4.398 4.350 -0.001 0.000 0.261 490 E C -2.034 174.479 176.600 -0.145 0.000 0.974 490 E CA -1.318 55.026 56.400 -0.093 0.000 0.936 490 E CB 0.544 30.221 29.700 -0.037 0.000 0.926 490 E HN 0.021 nan 8.360 nan 0.000 0.459 491 P HA -0.061 nan 4.420 nan 0.000 0.266 491 P C 0.487 177.698 177.300 -0.148 0.000 1.195 491 P CA 0.298 63.226 63.100 -0.287 0.000 0.768 491 P CB 0.462 31.827 31.700 -0.559 0.000 0.838 492 I N 1.615 122.138 120.570 -0.079 0.000 2.194 492 I HA -0.339 3.830 4.170 -0.001 0.000 0.246 492 I C 2.246 178.370 176.117 0.011 0.000 1.093 492 I CA 2.407 63.688 61.300 -0.033 0.000 1.355 492 I CB -0.569 37.408 38.000 -0.038 0.000 1.046 492 I HN 0.451 nan 8.210 nan 0.000 0.413 493 S N -0.250 115.475 115.700 0.042 0.000 2.382 493 S HA -0.230 4.240 4.470 -0.001 0.000 0.228 493 S C 1.858 176.570 174.600 0.186 0.000 1.027 493 S CA 1.188 59.447 58.200 0.100 0.000 0.991 493 S CB -0.889 62.382 63.200 0.117 0.000 0.823 493 S HN 0.558 nan 8.310 nan 0.000 0.469 494 H N 0.771 119.841 119.070 -0.001 0.000 2.395 494 H HA 0.140 4.695 4.556 -0.001 0.000 0.299 494 H C 2.074 177.411 175.328 0.015 0.000 1.070 494 H CA 1.269 57.321 56.048 0.008 0.000 1.356 494 H CB -0.124 29.641 29.762 0.005 0.000 1.401 494 H HN 0.396 nan 8.280 nan 0.000 0.524 495 I N 0.487 121.135 120.570 0.131 0.000 2.252 495 I HA -0.234 3.936 4.170 -0.001 0.000 0.245 495 I C 2.392 178.554 176.117 0.075 0.000 1.102 495 I CA 0.697 62.041 61.300 0.073 0.000 1.385 495 I CB -0.170 37.846 38.000 0.027 0.000 1.064 495 I HN 0.061 nan 8.210 nan 0.000 0.414 496 V N 0.697 120.649 119.914 0.063 0.000 2.287 496 V HA -0.356 3.764 4.120 -0.001 0.000 0.248 496 V C 2.527 178.696 176.094 0.126 0.000 1.053 496 V CA 2.293 64.630 62.300 0.062 0.000 1.027 496 V CB -0.728 31.102 31.823 0.012 0.000 0.646 496 V HN 0.539 nan 8.190 nan 0.000 0.447 497 Q N -0.187 119.679 119.800 0.110 0.000 2.084 497 Q HA -0.243 4.096 4.340 -0.001 0.000 0.202 497 Q C 2.335 178.414 176.000 0.132 0.000 0.978 497 Q CA 1.739 57.610 55.803 0.114 0.000 0.844 497 Q CB -0.087 28.685 28.738 0.057 0.000 0.898 497 Q HN 0.581 nan 8.270 nan 0.000 0.426 498 K N -0.422 120.047 120.400 0.115 0.000 2.063 498 K HA -0.143 4.177 4.320 -0.001 0.000 0.208 498 K C 2.056 178.752 176.600 0.160 0.000 1.048 498 K CA 1.589 57.944 56.287 0.114 0.000 0.928 498 K CB -0.037 32.508 32.500 0.076 0.000 0.713 498 K HN 0.111 nan 8.250 nan 0.000 0.442 499 V N 0.812 120.829 119.914 0.171 0.000 2.307 499 V HA -0.212 3.907 4.120 -0.001 0.000 0.245 499 V C 2.277 178.591 176.094 0.366 0.000 1.045 499 V CA 1.416 63.855 62.300 0.231 0.000 1.024 499 V CB -0.265 31.710 31.823 0.253 0.000 0.651 499 V HN 0.085 nan 8.190 nan 0.000 0.449 500 V N -0.068 120.111 119.914 0.441 0.000 2.287 500 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 500 V C 2.290 178.624 176.094 0.401 0.000 1.053 500 V CA 2.059 64.712 62.300 0.588 0.000 1.027 500 V CB -0.533 31.614 31.823 0.539 0.000 0.646 500 V HN 0.452 nan 8.190 nan 0.000 0.447 501 L N -1.342 120.038 121.223 0.261 0.000 2.141 501 L HA -0.142 4.197 4.340 -0.001 0.000 0.209 501 L C 2.338 179.295 176.870 0.146 0.000 1.094 501 L CA 1.518 56.464 54.840 0.176 0.000 0.763 501 L CB -0.575 41.554 42.059 0.117 0.000 0.908 501 L HN 0.392 nan 8.230 nan 0.000 0.437 502 F N 0.865 120.825 119.950 0.016 0.000 2.113 502 F HA -0.186 4.340 4.527 -0.001 0.000 0.297 502 F C 2.167 177.885 175.800 -0.137 0.000 1.103 502 F CA 1.458 59.416 58.000 -0.070 0.000 1.248 502 F CB -0.122 38.811 39.000 -0.112 0.000 0.999 502 F HN -0.144 nan 8.300 nan 0.000 0.475 503 L N 0.294 121.480 121.223 -0.062 0.000 2.083 503 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 503 L C 2.567 179.289 176.870 -0.246 0.000 1.083 503 L CA 1.880 56.499 54.840 -0.368 0.000 0.752 503 L CB -0.815 40.780 42.059 -0.774 0.000 0.899 503 L HN 0.306 nan 8.230 nan 0.000 0.433 504 E N 0.341 120.539 120.200 -0.004 0.000 2.072 504 E HA -0.288 4.061 4.350 -0.001 0.000 0.191 504 E C 1.709 178.267 176.600 -0.070 0.000 0.985 504 E CA 1.535 57.977 56.400 0.071 0.000 0.801 504 E CB 0.030 29.871 29.700 0.235 0.000 0.750 504 E HN 0.366 nan 8.360 nan 0.000 0.452 505 D N 0.214 120.538 120.400 -0.126 0.000 2.218 505 D HA -0.127 4.512 4.640 -0.001 0.000 0.204 505 D C 0.918 177.058 176.300 -0.266 0.000 0.976 505 D CA 1.098 54.995 54.000 -0.172 0.000 0.853 505 D CB -0.163 40.531 40.800 -0.176 0.000 0.939 505 D HN 0.168 nan 8.370 nan 0.000 0.481 506 N N -1.276 117.192 118.700 -0.387 0.000 2.270 506 N HA 0.270 5.009 4.740 -0.001 0.000 0.198 506 N C 0.961 176.207 175.510 -0.440 0.000 1.117 506 N CA 0.553 53.361 53.050 -0.403 0.000 0.845 506 N CB 1.047 39.226 38.487 -0.513 0.000 0.980 506 N HN 0.199 nan 8.380 nan 0.000 0.486 507 G N -0.171 108.427 108.800 -0.338 0.000 2.176 507 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.253 507 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.253 507 G C 0.727 175.395 174.900 -0.387 0.000 0.979 507 G CA 0.063 44.953 45.100 -0.350 0.000 0.641 507 G HN 0.357 nan 8.290 nan 0.000 0.530 508 F N -0.337 119.427 119.950 -0.310 0.000 2.293 508 F HA 0.359 4.886 4.527 -0.001 0.000 0.300 508 F C 1.054 176.715 175.800 -0.232 0.000 1.086 508 F CA 0.777 58.577 58.000 -0.333 0.000 1.375 508 F CB 0.009 38.620 39.000 -0.649 0.000 1.045 508 F HN 0.106 nan 8.300 nan 0.000 0.516 509 F N -0.691 119.224 119.950 -0.057 0.000 2.520 509 F HA 0.574 5.100 4.527 -0.001 0.000 0.322 509 F C -0.344 175.176 175.800 -0.465 0.000 1.103 509 F CA -2.159 55.649 58.000 -0.320 0.000 0.926 509 F CB 1.256 39.997 39.000 -0.432 0.000 1.154 509 F HN -0.565 nan 8.300 nan 0.000 0.453 510 V N 4.306 123.972 119.914 -0.414 0.000 2.531 510 V HA 0.501 4.620 4.120 -0.001 0.000 0.301 510 V C -0.597 175.172 176.094 -0.541 0.000 1.034 510 V CA -0.872 61.227 62.300 -0.335 0.000 0.865 510 V CB 1.545 33.275 31.823 -0.155 0.000 0.995 510 V HN 0.554 nan 8.190 nan 0.000 0.424 511 F N 0.000 119.925 119.950 -0.041 0.000 2.286 511 F HA 0.000 4.526 4.527 -0.002 0.000 0.279 511 F CA 0.000 57.965 58.000 -0.058 0.000 1.383 511 F CB 0.000 38.937 39.000 -0.105 0.000 1.145 511 F HN 0.000 nan 8.300 nan 0.000 0.574