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 1knp_1_A DATA FIRST_RESID 5 DATA SEQUENCE PEHSCDVLII GSGAAGLSLA LRLADQHQVI VLSKGPVTEG STFYAQGGIA DATA SEQUENCE AVFDETDSID SHVEDTLIAG AGICDRHAVE FVASNARSCV QWLIDQGVLF DATA SEQUENCE DTHIQPNGEE SYHLTREGGH SHRRILHAAD ATGREVETTL VSKALNHPNI DATA SEQUENCE RVLERTNAVD LIVSDKIGLP GTRRVVGAWV WNRNKETVET CHAKAVVLAT DATA SEQUENCE GGASKVYQYT TNPDISSGDG IAMAWRAGCR VANLEFNQFH PTALYHPQAR DATA SEQUENCE NFLLTEALRG EGAYLKRPDG TRFMPDFDER GELAPRDIVA RAIDHEMKRL DATA SEQUENCE GADCMFLDIS HKPADFIRQH FPMIYEKLLG LGIDLTQEPV PIVPAAHYTC DATA SEQUENCE GGVMVDDHGR TDVEGLYAIG EVSYTGLHGA NLMASNSLLE CLVYGWSAAE DATA SEQUENCE DITRRMPYAH DISTLPPWDE SRVENPDERV VIQHNWHELR LFMWDYVGIV DATA SEQUENCE RTTKRLERAL RRITMLQQEI DEYYAHFRVS NNLLELRNLV QVAELIVRCA DATA SEQUENCE MMRKESRGLH FTLDYPELLT HSGPSILSP 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.264 177.300 -0.060 0.000 1.155 5 P CA 0.000 63.043 63.100 -0.095 0.000 0.800 5 P CB 0.000 31.578 31.700 -0.203 0.000 0.726 6 E N -0.045 120.183 120.200 0.048 0.000 1.998 6 E HA -0.036 4.314 4.350 0.000 0.000 0.195 6 E C 0.119 176.580 176.600 -0.232 0.000 0.994 6 E CA 1.384 57.782 56.400 -0.004 0.000 0.835 6 E CB -0.099 29.724 29.700 0.205 0.000 0.786 6 E HN 0.376 nan 8.360 nan 0.000 0.467 7 H N -1.412 117.787 119.070 0.215 0.000 2.894 7 H HA 0.392 4.948 4.556 0.000 0.000 0.367 7 H C -1.040 174.416 175.328 0.214 0.000 1.144 7 H CA -0.278 55.859 56.048 0.148 0.000 1.180 7 H CB 2.058 31.879 29.762 0.099 0.000 1.758 7 H HN -0.014 nan 8.280 nan 0.000 0.541 8 S N 0.989 116.825 115.700 0.227 0.000 2.564 8 S HA 0.756 5.226 4.470 0.000 0.000 0.274 8 S C -0.699 173.974 174.600 0.122 0.000 1.124 8 S CA -0.296 57.998 58.200 0.157 0.000 0.869 8 S CB 0.966 64.189 63.200 0.037 0.000 1.105 8 S HN 0.883 nan 8.310 nan 0.000 0.472 9 C N 1.304 120.666 119.300 0.103 0.000 3.249 9 C HA 0.615 5.075 4.460 0.000 0.000 0.350 9 C C 0.461 175.495 174.990 0.073 0.000 1.431 9 C CA -0.610 58.456 59.018 0.080 0.000 1.209 9 C CB 0.213 27.997 27.740 0.073 0.000 1.546 9 C HN 0.724 nan 8.230 nan 0.000 0.450 10 D N 0.262 120.704 120.400 0.070 0.000 2.214 10 D HA 0.164 4.804 4.640 0.000 0.000 0.217 10 D C 0.359 176.685 176.300 0.044 0.000 0.973 10 D CA 1.617 55.661 54.000 0.073 0.000 0.880 10 D CB 0.284 41.154 40.800 0.117 0.000 1.031 10 D HN 0.506 nan 8.370 nan 0.000 0.468 11 V N 1.881 121.804 119.914 0.015 0.000 2.487 11 V HA 0.303 4.423 4.120 0.000 0.000 0.298 11 V C -0.536 175.555 176.094 -0.005 0.000 1.028 11 V CA -0.898 61.388 62.300 -0.023 0.000 0.860 11 V CB 2.262 34.020 31.823 -0.108 0.000 0.991 11 V HN -0.009 nan 8.190 nan 0.000 0.427 12 L N 6.765 127.992 121.223 0.006 0.000 2.287 12 L HA 0.635 4.975 4.340 0.000 0.000 0.287 12 L C -0.538 176.334 176.870 0.003 0.000 1.022 12 L CA 0.243 55.087 54.840 0.007 0.000 0.814 12 L CB 0.942 43.007 42.059 0.009 0.000 1.217 12 L HN 0.561 nan 8.230 nan 0.000 0.420 13 I N 6.737 127.306 120.570 -0.002 0.000 2.307 13 I HA 0.289 4.459 4.170 0.000 0.000 0.289 13 I C -0.207 175.918 176.117 0.013 0.000 1.021 13 I CA -0.278 61.025 61.300 0.004 0.000 1.224 13 I CB 0.902 38.900 38.000 -0.003 0.000 1.376 13 I HN 0.514 nan 8.210 nan 0.000 0.470 14 I N 6.793 127.377 120.570 0.023 0.000 2.294 14 I HA 0.435 4.605 4.170 0.000 0.000 0.295 14 I C 0.716 176.855 176.117 0.037 0.000 1.098 14 I CA -0.004 61.312 61.300 0.027 0.000 1.277 14 I CB 0.031 38.049 38.000 0.030 0.000 1.434 14 I HN 0.835 nan 8.210 nan 0.000 0.498 15 G N 4.022 112.843 108.800 0.036 0.000 2.841 15 G HA2 -0.054 3.906 3.960 0.000 0.000 0.684 15 G HA3 -0.054 3.906 3.960 0.000 0.000 0.684 15 G C -0.282 174.647 174.900 0.049 0.000 1.273 15 G CA -0.374 44.754 45.100 0.047 0.000 0.811 15 G HN 0.684 nan 8.290 nan 0.000 0.631 16 S N 0.903 116.637 115.700 0.056 0.000 2.558 16 S HA 0.690 5.160 4.470 0.000 0.000 0.238 16 S C 0.971 175.618 174.600 0.079 0.000 1.183 16 S CA 0.615 58.851 58.200 0.059 0.000 1.185 16 S CB 0.743 63.970 63.200 0.047 0.000 1.003 16 S HN 1.881 nan 8.310 nan 0.000 0.478 17 G N 1.035 109.891 108.800 0.092 0.000 2.782 17 G HA2 0.649 4.609 3.960 0.000 0.000 0.201 17 G HA3 0.649 4.609 3.960 0.000 0.000 0.201 17 G C 1.074 176.043 174.900 0.114 0.000 1.374 17 G CA -0.290 44.878 45.100 0.113 0.000 1.039 17 G HN 0.551 nan 8.290 nan 0.000 0.576 18 A N -0.682 122.214 122.820 0.127 0.000 1.902 18 A HA 0.172 4.492 4.320 0.000 0.000 0.217 18 A C 2.688 180.339 177.584 0.112 0.000 1.181 18 A CA 2.673 54.788 52.037 0.130 0.000 0.623 18 A CB -0.993 18.091 19.000 0.140 0.000 0.818 18 A HN 1.197 nan 8.150 nan 0.000 0.443 19 A N -0.536 122.350 122.820 0.109 0.000 1.858 19 A HA 0.144 4.464 4.320 0.000 0.000 0.216 19 A C 2.427 180.051 177.584 0.067 0.000 1.190 19 A CA 2.024 54.118 52.037 0.095 0.000 0.617 19 A CB -1.415 17.649 19.000 0.106 0.000 0.827 19 A HN 0.689 nan 8.150 nan 0.000 0.443 20 G N -0.612 108.228 108.800 0.067 0.000 2.404 20 G HA2 -0.009 3.951 3.960 0.000 0.000 0.214 20 G HA3 -0.009 3.951 3.960 0.000 0.000 0.214 20 G C 1.386 176.315 174.900 0.049 0.000 1.189 20 G CA 1.004 46.132 45.100 0.048 0.000 0.789 20 G HN 0.303 nan 8.290 nan 0.000 0.533 21 L N 1.919 123.186 121.223 0.073 0.000 2.042 21 L HA -0.087 4.253 4.340 0.000 0.000 0.210 21 L C 3.247 180.186 176.870 0.115 0.000 1.076 21 L CA 2.185 57.078 54.840 0.090 0.000 0.749 21 L CB -0.802 41.322 42.059 0.109 0.000 0.893 21 L HN 0.439 nan 8.230 nan 0.000 0.432 22 S N -1.344 114.421 115.700 0.107 0.000 2.428 22 S HA -0.126 4.344 4.470 0.000 0.000 0.230 22 S C 1.925 176.512 174.600 -0.021 0.000 1.014 22 S CA 0.856 59.112 58.200 0.095 0.000 0.957 22 S CB -0.571 62.626 63.200 -0.004 0.000 0.784 22 S HN 0.297 nan 8.310 nan 0.000 0.499 23 L N 1.797 123.008 121.223 -0.020 0.000 2.179 23 L HA 0.405 4.745 4.340 0.000 0.000 0.208 23 L C 2.516 179.368 176.870 -0.031 0.000 1.096 23 L CA 1.382 56.188 54.840 -0.058 0.000 0.779 23 L CB -1.251 40.773 42.059 -0.058 0.000 0.922 23 L HN 0.312 nan 8.230 nan 0.000 0.443 24 A N -0.173 122.650 122.820 0.004 0.000 1.902 24 A HA -0.137 4.183 4.320 0.000 0.000 0.217 24 A C 2.195 179.788 177.584 0.015 0.000 1.181 24 A CA 1.986 54.020 52.037 -0.005 0.000 0.623 24 A CB -0.844 18.158 19.000 0.004 0.000 0.818 24 A HN 0.491 nan 8.150 nan 0.000 0.443 25 L N -0.830 120.459 121.223 0.111 0.000 1.994 25 L HA -0.190 4.150 4.340 0.000 0.000 0.208 25 L C 2.748 179.741 176.870 0.205 0.000 1.071 25 L CA 1.762 56.710 54.840 0.180 0.000 0.745 25 L CB -0.538 41.746 42.059 0.376 0.000 0.892 25 L HN 0.293 nan 8.230 nan 0.000 0.431 26 R N -0.106 120.533 120.500 0.232 0.000 2.139 26 R HA -0.171 4.169 4.340 0.000 0.000 0.243 26 R C 2.165 178.546 176.300 0.134 0.000 1.145 26 R CA 1.243 57.465 56.100 0.203 0.000 0.976 26 R CB -0.489 29.843 30.300 0.054 0.000 0.866 26 R HN 0.367 nan 8.270 nan 0.000 0.449 27 L N -0.385 120.878 121.223 0.066 0.000 2.375 27 L HA 0.054 4.394 4.340 0.000 0.000 0.215 27 L C 2.518 179.510 176.870 0.203 0.000 1.108 27 L CA 0.279 55.184 54.840 0.108 0.000 0.830 27 L CB -0.338 41.669 42.059 -0.086 0.000 0.959 27 L HN 0.207 nan 8.230 nan 0.000 0.457 28 A N 0.531 123.368 122.820 0.029 0.000 1.865 28 A HA -0.263 4.057 4.320 0.000 0.000 0.217 28 A C 1.812 179.448 177.584 0.086 0.000 1.191 28 A CA 2.091 54.041 52.037 -0.145 0.000 0.623 28 A CB -0.616 17.901 19.000 -0.806 0.000 0.826 28 A HN 0.348 nan 8.150 nan 0.000 0.444 29 D N -0.372 120.151 120.400 0.205 0.000 2.254 29 D HA -0.172 4.468 4.640 0.000 0.000 0.201 29 D C 1.273 177.615 176.300 0.069 0.000 0.998 29 D CA 1.670 55.787 54.000 0.195 0.000 0.885 29 D CB -0.210 40.684 40.800 0.158 0.000 0.915 29 D HN 0.764 nan 8.370 nan 0.000 0.460 30 Q N -1.112 118.679 119.800 -0.015 0.000 2.086 30 Q HA 0.170 4.510 4.340 0.000 0.000 0.220 30 Q C -0.300 175.370 176.000 -0.550 0.000 0.792 30 Q CA -0.142 55.504 55.803 -0.262 0.000 1.062 30 Q CB 1.323 29.838 28.738 -0.373 0.000 1.198 30 Q HN 0.300 nan 8.270 nan 0.000 0.466 31 H N -0.138 118.938 119.070 0.011 0.000 3.016 31 H HA 0.286 4.842 4.556 -0.000 0.000 0.362 31 H C -0.749 174.579 175.328 0.001 0.000 1.233 31 H CA -0.793 55.254 56.048 -0.002 0.000 1.124 31 H CB 1.535 31.286 29.762 -0.019 0.000 1.850 31 H HN -0.059 nan 8.280 nan 0.000 0.549 32 Q N 1.919 121.803 119.800 0.140 0.000 2.314 32 Q HA 0.278 4.618 4.340 0.000 0.000 0.257 32 Q C -0.529 175.516 176.000 0.074 0.000 0.975 32 Q CA -0.293 55.563 55.803 0.088 0.000 0.933 32 Q CB 1.904 30.684 28.738 0.070 0.000 1.195 32 Q HN 0.329 nan 8.270 nan 0.000 0.426 33 V N 5.324 125.265 119.914 0.045 0.000 2.604 33 V HA 0.590 4.710 4.120 0.000 0.000 0.305 33 V C -0.953 175.151 176.094 0.017 0.000 1.043 33 V CA -0.708 61.602 62.300 0.017 0.000 0.888 33 V CB 1.809 33.623 31.823 -0.015 0.000 0.995 33 V HN 0.684 nan 8.190 nan 0.000 0.429 34 I N 6.497 127.075 120.570 0.014 0.000 2.447 34 I HA 0.463 4.633 4.170 0.000 0.000 0.287 34 I C -0.854 175.262 176.117 -0.002 0.000 1.023 34 I CA -0.824 60.481 61.300 0.009 0.000 1.083 34 I CB 2.164 40.171 38.000 0.012 0.000 1.245 34 I HN 0.307 nan 8.210 nan 0.000 0.434 35 V N 7.178 127.091 119.914 -0.002 0.000 2.398 35 V HA 0.447 4.567 4.120 0.000 0.000 0.286 35 V C 0.202 176.292 176.094 -0.006 0.000 1.026 35 V CA -0.490 61.811 62.300 0.002 0.000 0.868 35 V CB 1.693 33.524 31.823 0.012 0.000 0.982 35 V HN 0.487 nan 8.190 nan 0.000 0.443 36 L N 3.489 124.709 121.223 -0.005 0.000 2.387 36 L HA 0.804 5.144 4.340 0.000 0.000 0.266 36 L C 0.193 177.068 176.870 0.008 0.000 1.059 36 L CA -0.261 54.572 54.840 -0.010 0.000 0.801 36 L CB 1.866 43.916 42.059 -0.014 0.000 1.223 36 L HN 0.714 nan 8.230 nan 0.000 0.456 37 S N -0.005 115.699 115.700 0.006 0.000 2.603 37 S HA 0.199 4.669 4.470 0.000 0.000 0.274 37 S C 0.068 174.678 174.600 0.017 0.000 1.168 37 S CA -0.790 57.421 58.200 0.018 0.000 0.963 37 S CB 1.715 64.924 63.200 0.015 0.000 1.078 37 S HN 0.735 nan 8.310 nan 0.000 0.477 38 K N 2.870 123.289 120.400 0.032 0.000 2.288 38 K HA 0.136 4.456 4.320 0.000 0.000 0.201 38 K C 0.899 177.521 176.600 0.037 0.000 1.048 38 K CA 1.186 57.499 56.287 0.042 0.000 0.956 38 K CB -0.283 32.250 32.500 0.055 0.000 0.746 38 K HN 0.752 nan 8.250 nan 0.000 0.461 39 G N 0.569 109.386 108.800 0.028 0.000 3.212 39 G HA2 0.378 4.338 3.960 0.000 0.000 0.188 39 G HA3 0.378 4.338 3.960 0.000 0.000 0.188 39 G C -2.832 172.069 174.900 0.000 0.000 1.254 39 G CA -1.083 44.027 45.100 0.017 0.000 0.957 39 G HN -0.081 nan 8.290 nan 0.000 0.596 40 P HA 0.059 nan 4.420 nan 0.000 0.269 40 P C 1.119 178.406 177.300 -0.021 0.000 1.217 40 P CA -0.293 62.791 63.100 -0.027 0.000 0.783 40 P CB 1.006 32.677 31.700 -0.048 0.000 0.898 41 V N 1.753 121.655 119.914 -0.021 0.000 3.026 41 V HA -0.161 3.959 4.120 0.000 0.000 0.265 41 V C 1.468 177.559 176.094 -0.005 0.000 1.121 41 V CA 2.801 65.097 62.300 -0.006 0.000 1.142 41 V CB -1.281 30.541 31.823 -0.001 0.000 0.730 41 V HN 0.831 nan 8.190 nan 0.000 0.503 42 T N -3.543 110.981 114.554 -0.049 0.000 3.043 42 T HA 0.213 4.563 4.350 0.000 0.000 0.272 42 T C 0.483 175.124 174.700 -0.098 0.000 0.990 42 T CA -0.038 62.023 62.100 -0.066 0.000 0.897 42 T CB 0.161 68.927 68.868 -0.170 0.000 1.111 42 T HN 0.367 nan 8.240 nan 0.000 0.529 43 E N 1.307 121.474 120.200 -0.055 0.000 2.316 43 E HA 0.566 4.916 4.350 0.000 0.000 0.275 43 E C 0.229 176.910 176.600 0.135 0.000 1.029 43 E CA 0.710 57.131 56.400 0.034 0.000 0.871 43 E CB 0.306 30.034 29.700 0.047 0.000 1.022 43 E HN 0.682 nan 8.360 nan 0.000 0.418 44 G N 1.884 110.850 108.800 0.276 0.000 2.340 44 G HA2 0.048 4.008 3.960 0.000 0.000 0.300 44 G HA3 0.048 4.008 3.960 0.000 0.000 0.300 44 G C 0.361 175.499 174.900 0.396 0.000 1.488 44 G CA -0.183 45.073 45.100 0.259 0.000 0.878 44 G HN 0.324 nan 8.290 nan 0.000 0.618 45 S N -0.560 115.321 115.700 0.302 0.000 2.387 45 S HA -0.154 4.316 4.470 0.000 0.000 0.230 45 S C 2.623 177.418 174.600 0.324 0.000 1.035 45 S CA 2.457 60.851 58.200 0.322 0.000 1.014 45 S CB -0.273 63.039 63.200 0.186 0.000 0.836 45 S HN 0.758 nan 8.310 nan 0.000 0.466 46 T N 1.260 115.958 114.554 0.241 0.000 2.720 46 T HA -0.100 4.250 4.350 0.000 0.000 0.268 46 T C 1.389 176.167 174.700 0.130 0.000 1.037 46 T CA 1.280 63.486 62.100 0.176 0.000 1.144 46 T CB -0.455 68.508 68.868 0.159 0.000 0.864 46 T HN 0.502 nan 8.240 nan 0.000 0.444 47 F N 0.792 120.711 119.950 -0.052 0.000 2.307 47 F HA -0.106 4.421 4.527 0.000 0.000 0.301 47 F C 1.190 176.761 175.800 -0.382 0.000 1.076 47 F CA 0.992 58.837 58.000 -0.259 0.000 1.383 47 F CB -0.264 38.472 39.000 -0.440 0.000 1.055 47 F HN 0.247 nan 8.300 nan 0.000 0.526 48 Y N 0.092 120.489 120.300 0.161 0.000 2.468 48 Y HA 0.458 5.008 4.550 0.000 0.000 0.268 48 Y C 1.093 177.004 175.900 0.018 0.000 1.177 48 Y CA -0.220 57.932 58.100 0.087 0.000 1.265 48 Y CB -0.729 37.835 38.460 0.173 0.000 1.103 48 Y HN 0.028 nan 8.280 nan 0.000 0.522 49 A N 0.729 123.605 122.820 0.094 0.000 2.450 49 A HA 0.162 4.482 4.320 0.000 0.000 0.255 49 A C 0.698 178.308 177.584 0.042 0.000 1.096 49 A CA -0.304 51.785 52.037 0.087 0.000 0.778 49 A CB 0.541 19.596 19.000 0.091 0.000 1.031 49 A HN 0.547 nan 8.150 nan 0.000 0.494 50 Q N 2.759 122.585 119.800 0.044 0.000 2.123 50 Q HA 0.049 4.389 4.340 0.000 0.000 0.193 50 Q C 2.063 178.122 176.000 0.100 0.000 0.981 50 Q CA 0.811 56.645 55.803 0.052 0.000 0.833 50 Q CB -0.212 28.530 28.738 0.007 0.000 0.914 50 Q HN 0.868 nan 8.270 nan 0.000 0.484 51 G N 0.525 109.369 108.800 0.074 0.000 2.498 51 G HA2 0.174 4.134 3.960 0.000 0.000 0.219 51 G HA3 0.174 4.134 3.960 0.000 0.000 0.219 51 G C 0.650 175.572 174.900 0.037 0.000 1.119 51 G CA 0.668 45.800 45.100 0.053 0.000 0.766 51 G HN 0.592 nan 8.290 nan 0.000 0.552 52 G N -1.053 107.787 108.800 0.068 0.000 2.549 52 G HA2 -0.051 3.909 3.960 0.000 0.000 0.404 52 G HA3 -0.051 3.909 3.960 0.000 0.000 0.404 52 G C -0.700 174.200 174.900 -0.001 0.000 1.292 52 G CA -0.461 44.675 45.100 0.060 0.000 0.935 52 G HN 0.571 nan 8.290 nan 0.000 0.512 53 I N 1.012 121.547 120.570 -0.059 0.000 2.433 53 I HA 0.616 4.786 4.170 0.000 0.000 0.292 53 I C 0.827 176.892 176.117 -0.086 0.000 1.001 53 I CA -0.709 60.563 61.300 -0.046 0.000 1.119 53 I CB 1.820 39.803 38.000 -0.029 0.000 1.289 53 I HN 0.995 nan 8.210 nan 0.000 0.438 54 A N 5.012 127.832 122.820 -0.001 0.000 2.363 54 A HA 0.869 5.189 4.320 0.000 0.000 0.270 54 A C 0.005 177.636 177.584 0.078 0.000 1.121 54 A CA 0.049 52.088 52.037 0.003 0.000 0.800 54 A CB 0.614 19.661 19.000 0.078 0.000 1.052 54 A HN 0.961 nan 8.150 nan 0.000 0.493 55 A N 1.186 124.043 122.820 0.062 0.000 2.493 55 A HA 0.679 4.999 4.320 0.000 0.000 0.300 55 A C -1.490 176.185 177.584 0.153 0.000 1.152 55 A CA -0.369 51.771 52.037 0.172 0.000 0.643 55 A CB 0.679 19.852 19.000 0.289 0.000 1.316 55 A HN 1.345 nan 8.150 nan 0.000 0.469 56 V N 0.545 120.501 119.914 0.070 0.000 2.407 56 V HA 0.551 4.671 4.120 0.000 0.000 0.291 56 V C -0.771 175.252 176.094 -0.119 0.000 1.018 56 V CA 0.178 62.497 62.300 0.032 0.000 0.842 56 V CB 0.890 32.723 31.823 0.017 0.000 0.996 56 V HN 0.851 nan 8.190 nan 0.000 0.426 57 F N 0.633 120.571 119.950 -0.021 0.000 2.819 57 F HA 0.302 4.829 4.527 -0.000 0.000 0.325 57 F C 1.090 176.893 175.800 0.005 0.000 1.041 57 F CA -0.318 57.683 58.000 0.003 0.000 1.184 57 F CB 0.618 39.634 39.000 0.027 0.000 1.019 57 F HN 0.430 nan 8.300 nan 0.000 0.590 58 D N 1.420 121.904 120.400 0.140 0.000 2.256 58 D HA 0.041 4.681 4.640 0.000 0.000 0.250 58 D C 0.839 177.142 176.300 0.005 0.000 1.093 58 D CA 0.215 54.255 54.000 0.067 0.000 0.882 58 D CB 1.362 42.182 40.800 0.033 0.000 1.185 58 D HN 0.334 nan 8.370 nan 0.000 0.437 59 E N 1.501 121.702 120.200 0.002 0.000 2.130 59 E HA -0.188 4.162 4.350 0.000 0.000 0.196 59 E C 1.520 178.086 176.600 -0.058 0.000 0.998 59 E CA 1.292 57.678 56.400 -0.022 0.000 0.806 59 E CB 0.089 29.780 29.700 -0.014 0.000 0.738 59 E HN 0.478 nan 8.360 nan 0.000 0.459 60 T N 0.620 115.127 114.554 -0.079 0.000 2.812 60 T HA -0.102 4.248 4.350 0.000 0.000 0.264 60 T C 0.839 175.365 174.700 -0.289 0.000 1.042 60 T CA 0.869 62.883 62.100 -0.143 0.000 1.140 60 T CB -0.167 68.620 68.868 -0.134 0.000 0.870 60 T HN 0.135 nan 8.240 nan 0.000 0.445 61 D N 1.117 121.340 120.400 -0.296 0.000 2.380 61 D HA 0.301 4.941 4.640 0.000 0.000 0.254 61 D C -0.111 176.079 176.300 -0.184 0.000 1.288 61 D CA 0.090 53.851 54.000 -0.397 0.000 1.008 61 D CB 0.730 41.447 40.800 -0.138 0.000 1.099 61 D HN 0.360 nan 8.370 nan 0.000 0.537 62 S N -1.026 114.634 115.700 -0.067 0.000 2.552 62 S HA 0.259 4.729 4.470 0.000 0.000 0.272 62 S C 1.005 175.633 174.600 0.048 0.000 1.150 62 S CA -0.758 57.434 58.200 -0.013 0.000 0.849 62 S CB 0.267 63.461 63.200 -0.010 0.000 1.113 62 S HN 0.367 nan 8.310 nan 0.000 0.458 63 I N 1.314 121.899 120.570 0.025 0.000 2.194 63 I HA -0.223 3.947 4.170 0.000 0.000 0.246 63 I C 1.957 178.103 176.117 0.048 0.000 1.093 63 I CA 1.790 63.113 61.300 0.037 0.000 1.355 63 I CB -0.371 37.619 38.000 -0.017 0.000 1.046 63 I HN 0.738 nan 8.210 nan 0.000 0.413 64 D N -0.035 120.387 120.400 0.036 0.000 2.133 64 D HA -0.225 4.415 4.640 0.000 0.000 0.192 64 D C 2.368 178.710 176.300 0.071 0.000 1.001 64 D CA 1.633 55.657 54.000 0.040 0.000 0.844 64 D CB -0.301 40.521 40.800 0.037 0.000 0.944 64 D HN 0.142 nan 8.370 nan 0.000 0.447 65 S N -1.471 114.301 115.700 0.121 0.000 2.382 65 S HA -0.188 4.282 4.470 0.000 0.000 0.228 65 S C 1.822 176.503 174.600 0.135 0.000 1.027 65 S CA 1.093 59.379 58.200 0.144 0.000 0.991 65 S CB -0.280 63.090 63.200 0.283 0.000 0.823 65 S HN 0.452 nan 8.310 nan 0.000 0.469 66 H N -0.293 118.792 119.070 0.025 0.000 2.389 66 H HA -0.028 4.528 4.556 -0.000 0.000 0.299 66 H C 1.973 177.276 175.328 -0.042 0.000 1.081 66 H CA 1.346 57.382 56.048 -0.019 0.000 1.345 66 H CB 0.073 29.837 29.762 0.002 0.000 1.393 66 H HN 0.229 nan 8.280 nan 0.000 0.520 67 V N 1.175 121.094 119.914 0.008 0.000 2.223 67 V HA -0.265 3.855 4.120 0.000 0.000 0.244 67 V C 2.409 178.493 176.094 -0.016 0.000 1.045 67 V CA 2.298 64.562 62.300 -0.060 0.000 1.000 67 V CB -0.652 31.144 31.823 -0.046 0.000 0.635 67 V HN 0.541 nan 8.190 nan 0.000 0.445 68 E N -0.134 120.070 120.200 0.007 0.000 2.097 68 E HA -0.321 4.029 4.350 0.000 0.000 0.196 68 E C 1.807 178.403 176.600 -0.008 0.000 1.000 68 E CA 1.929 58.331 56.400 0.003 0.000 0.804 68 E CB -0.185 29.522 29.700 0.012 0.000 0.740 68 E HN 0.622 nan 8.360 nan 0.000 0.454 69 D N -0.160 120.233 120.400 -0.012 0.000 2.092 69 D HA -0.151 4.489 4.640 0.000 0.000 0.193 69 D C 1.968 178.241 176.300 -0.045 0.000 0.994 69 D CA 2.104 56.074 54.000 -0.051 0.000 0.828 69 D CB -0.667 40.070 40.800 -0.106 0.000 0.963 69 D HN 0.223 nan 8.370 nan 0.000 0.450 70 T N 1.280 115.820 114.554 -0.023 0.000 2.652 70 T HA -0.128 4.222 4.350 0.000 0.000 0.267 70 T C 2.207 176.903 174.700 -0.007 0.000 1.039 70 T CA 0.962 63.055 62.100 -0.011 0.000 1.153 70 T CB -0.523 68.332 68.868 -0.021 0.000 0.863 70 T HN 0.150 nan 8.240 nan 0.000 0.428 71 L N 0.134 121.351 121.223 -0.010 0.000 2.129 71 L HA -0.098 4.242 4.340 0.000 0.000 0.212 71 L C 2.427 179.296 176.870 -0.001 0.000 1.087 71 L CA 1.270 56.108 54.840 -0.003 0.000 0.757 71 L CB -0.863 41.195 42.059 -0.001 0.000 0.896 71 L HN 0.263 nan 8.230 nan 0.000 0.434 72 I N 0.045 120.611 120.570 -0.006 0.000 2.333 72 I HA -0.137 4.033 4.170 0.000 0.000 0.246 72 I C 2.801 178.916 176.117 -0.003 0.000 1.106 72 I CA 0.921 62.218 61.300 -0.004 0.000 1.411 72 I CB -0.403 37.593 38.000 -0.008 0.000 1.082 72 I HN 0.136 nan 8.210 nan 0.000 0.420 73 A N 0.762 123.576 122.820 -0.009 0.000 2.019 73 A HA -0.105 4.215 4.320 0.000 0.000 0.219 73 A C 2.206 179.791 177.584 0.001 0.000 1.164 73 A CA 1.695 53.730 52.037 -0.005 0.000 0.644 73 A CB -1.211 17.782 19.000 -0.011 0.000 0.805 73 A HN 0.480 nan 8.150 nan 0.000 0.449 74 G N -2.122 106.679 108.800 0.001 0.000 3.026 74 G HA2 0.368 4.328 3.960 0.000 0.000 0.208 74 G HA3 0.368 4.328 3.960 0.000 0.000 0.208 74 G C 0.879 175.760 174.900 -0.032 0.000 1.169 74 G CA 0.541 45.632 45.100 -0.014 0.000 0.788 74 G HN 1.554 nan 8.290 nan 0.000 0.533 75 A N -1.340 121.476 122.820 -0.008 0.000 2.799 75 A HA 0.155 4.475 4.320 0.000 0.000 0.287 75 A C 1.988 179.575 177.584 0.005 0.000 1.484 75 A CA 1.775 53.815 52.037 0.005 0.000 0.813 75 A CB -1.506 17.504 19.000 0.016 0.000 1.009 75 A HN 2.289 nan 8.150 nan 0.000 0.545 76 G N -2.011 106.791 108.800 0.005 0.000 2.194 76 G HA2 -0.188 3.772 3.960 0.000 0.000 0.236 76 G HA3 -0.188 3.772 3.960 0.000 0.000 0.236 76 G C 0.710 175.621 174.900 0.019 0.000 0.987 76 G CA 0.662 45.772 45.100 0.017 0.000 0.635 76 G HN 2.290 nan 8.290 nan 0.000 0.520 77 I N -1.959 118.610 120.570 -0.001 0.000 4.102 77 I HA 0.467 4.637 4.170 0.000 0.000 0.325 77 I C 0.890 177.020 176.117 0.022 0.000 1.471 77 I CA -0.779 60.531 61.300 0.016 0.000 1.133 77 I CB -0.168 37.844 38.000 0.020 0.000 1.184 77 I HN 0.036 nan 8.210 nan 0.000 0.451 78 C N 2.744 122.050 119.300 0.011 0.000 2.634 78 C HA -0.001 4.459 4.460 0.000 0.000 0.417 78 C C 0.830 175.835 174.990 0.025 0.000 1.334 78 C CA 0.359 59.388 59.018 0.018 0.000 1.829 78 C CB -0.350 27.394 27.740 0.007 0.000 2.665 78 C HN 0.515 nan 8.230 nan 0.000 0.614 79 D N 2.540 122.952 120.400 0.020 0.000 2.325 79 D HA 0.069 4.709 4.640 0.000 0.000 0.251 79 D C 1.229 177.534 176.300 0.008 0.000 1.196 79 D CA -0.124 53.888 54.000 0.019 0.000 0.866 79 D CB 0.371 41.172 40.800 0.002 0.000 1.101 79 D HN 0.532 nan 8.370 nan 0.000 0.476 80 R N 2.572 123.085 120.500 0.022 0.000 2.113 80 R HA -0.273 4.067 4.340 0.000 0.000 0.244 80 R C 1.783 178.099 176.300 0.027 0.000 1.142 80 R CA 1.790 57.903 56.100 0.022 0.000 0.953 80 R CB -0.370 29.947 30.300 0.028 0.000 0.860 80 R HN 0.644 nan 8.270 nan 0.000 0.438 81 H N -0.096 118.958 119.070 -0.027 0.000 2.352 81 H HA -0.069 4.487 4.556 0.000 0.000 0.299 81 H C 1.732 177.045 175.328 -0.024 0.000 1.097 81 H CA 2.088 58.116 56.048 -0.034 0.000 1.311 81 H CB -0.241 29.469 29.762 -0.087 0.000 1.377 81 H HN 0.326 nan 8.280 nan 0.000 0.504 82 A N -0.083 122.694 122.820 -0.071 0.000 1.908 82 A HA -0.149 4.171 4.320 0.000 0.000 0.218 82 A C 2.704 180.285 177.584 -0.005 0.000 1.181 82 A CA 1.916 53.904 52.037 -0.081 0.000 0.627 82 A CB -0.960 17.995 19.000 -0.075 0.000 0.818 82 A HN 0.351 nan 8.150 nan 0.000 0.445 83 V N -0.136 119.757 119.914 -0.035 0.000 2.379 83 V HA -0.222 3.898 4.120 0.000 0.000 0.245 83 V C 2.404 178.454 176.094 -0.074 0.000 1.044 83 V CA 2.120 64.390 62.300 -0.051 0.000 1.036 83 V CB -0.797 30.995 31.823 -0.052 0.000 0.664 83 V HN 0.629 nan 8.190 nan 0.000 0.453 84 E N -0.460 119.700 120.200 -0.066 0.000 2.031 84 E HA -0.231 4.119 4.350 0.000 0.000 0.193 84 E C 2.054 178.613 176.600 -0.069 0.000 0.994 84 E CA 1.566 57.922 56.400 -0.074 0.000 0.800 84 E CB -0.296 29.371 29.700 -0.055 0.000 0.752 84 E HN 0.497 nan 8.360 nan 0.000 0.447 85 F N 1.800 121.570 119.950 -0.301 0.000 2.041 85 F HA -0.355 4.172 4.527 0.000 0.000 0.296 85 F C 2.331 178.008 175.800 -0.205 0.000 1.147 85 F CA 1.605 59.422 58.000 -0.304 0.000 1.214 85 F CB -0.948 37.823 39.000 -0.381 0.000 0.947 85 F HN -0.183 nan 8.300 nan 0.000 0.511 86 V N 0.443 120.310 119.914 -0.079 0.000 2.282 86 V HA -0.382 3.738 4.120 0.000 0.000 0.249 86 V C 2.693 178.664 176.094 -0.204 0.000 1.057 86 V CA 2.228 64.427 62.300 -0.168 0.000 1.032 86 V CB -1.493 30.351 31.823 0.035 0.000 0.645 86 V HN 0.629 nan 8.190 nan 0.000 0.447 87 A N 0.298 122.986 122.820 -0.218 0.000 1.917 87 A HA -0.236 4.084 4.320 0.000 0.000 0.219 87 A C 2.298 179.762 177.584 -0.200 0.000 1.182 87 A CA 2.473 54.331 52.037 -0.299 0.000 0.633 87 A CB -0.777 18.050 19.000 -0.287 0.000 0.819 87 A HN 0.784 nan 8.150 nan 0.000 0.448 88 S N -1.114 114.461 115.700 -0.208 0.000 2.701 88 S HA 0.104 4.574 4.470 0.000 0.000 0.220 88 S C 0.560 174.988 174.600 -0.287 0.000 0.954 88 S CA 0.307 58.383 58.200 -0.208 0.000 0.936 88 S CB -0.380 62.720 63.200 -0.166 0.000 0.777 88 S HN 0.607 nan 8.310 nan 0.000 0.518 89 N N 0.266 118.760 118.700 -0.342 0.000 2.305 89 N HA 0.334 5.074 4.740 0.000 0.000 0.248 89 N C 1.089 176.406 175.510 -0.322 0.000 1.290 89 N CA 0.498 53.299 53.050 -0.415 0.000 0.873 89 N CB 1.009 39.102 38.487 -0.657 0.000 1.261 89 N HN 0.388 nan 8.380 nan 0.000 0.504 90 A N 2.880 125.584 122.820 -0.193 0.000 1.873 90 A HA -0.236 4.084 4.320 0.000 0.000 0.211 90 A C 2.148 179.688 177.584 -0.073 0.000 1.218 90 A CA 1.715 53.698 52.037 -0.090 0.000 0.659 90 A CB -0.765 18.238 19.000 0.004 0.000 0.853 90 A HN 0.445 nan 8.150 nan 0.000 0.466 91 R N -0.431 120.021 120.500 -0.080 0.000 2.165 91 R HA -0.203 4.137 4.340 0.000 0.000 0.254 91 R C 2.320 178.630 176.300 0.016 0.000 1.153 91 R CA 2.106 58.206 56.100 -0.001 0.000 0.971 91 R CB -1.163 28.824 30.300 -0.522 0.000 0.878 91 R HN 0.422 nan 8.270 nan 0.000 0.449 92 S N 0.343 115.975 115.700 -0.113 0.000 2.365 92 S HA -0.208 4.262 4.470 0.000 0.000 0.221 92 S C 2.146 176.722 174.600 -0.039 0.000 1.037 92 S CA 1.608 59.740 58.200 -0.113 0.000 1.060 92 S CB -0.471 62.569 63.200 -0.267 0.000 0.974 92 S HN 0.616 nan 8.310 nan 0.000 0.427 93 C N 0.972 120.188 119.300 -0.140 0.000 2.432 93 C HA 0.016 4.476 4.460 0.000 0.000 0.277 93 C C 2.639 177.715 174.990 0.144 0.000 1.249 93 C CA 0.719 59.704 59.018 -0.055 0.000 1.725 93 C CB -1.503 26.136 27.740 -0.167 0.000 2.028 93 C HN 0.525 nan 8.230 nan 0.000 0.477 94 V N 0.911 120.898 119.914 0.121 0.000 2.287 94 V HA -0.281 3.839 4.120 0.000 0.000 0.248 94 V C 2.580 178.840 176.094 0.277 0.000 1.053 94 V CA 2.364 64.793 62.300 0.215 0.000 1.027 94 V CB -0.987 30.969 31.823 0.222 0.000 0.646 94 V HN 0.509 nan 8.190 nan 0.000 0.447 95 Q N -0.528 119.420 119.800 0.247 0.000 2.096 95 Q HA -0.281 4.059 4.340 0.000 0.000 0.204 95 Q C 1.888 178.021 176.000 0.222 0.000 0.982 95 Q CA 2.552 58.492 55.803 0.229 0.000 0.850 95 Q CB -0.657 28.179 28.738 0.164 0.000 0.901 95 Q HN 0.741 nan 8.270 nan 0.000 0.422 96 W N -0.338 120.987 121.300 0.042 0.000 2.321 96 W HA -0.262 4.398 4.660 -0.000 0.000 0.306 96 W C 1.590 178.146 176.519 0.061 0.000 1.217 96 W CA 1.440 58.809 57.345 0.041 0.000 1.257 96 W CB -0.386 29.085 29.460 0.019 0.000 1.145 96 W HN 0.342 nan 8.180 nan 0.000 0.509 97 L N 0.724 122.224 121.223 0.463 0.000 2.083 97 L HA -0.155 4.185 4.340 0.000 0.000 0.209 97 L C 2.244 179.125 176.870 0.018 0.000 1.083 97 L CA 1.851 56.870 54.840 0.299 0.000 0.752 97 L CB -0.973 41.318 42.059 0.386 0.000 0.899 97 L HN 0.119 nan 8.230 nan 0.000 0.433 98 I N -0.858 119.757 120.570 0.075 0.000 2.286 98 I HA -0.228 3.942 4.170 0.000 0.000 0.245 98 I C 1.432 177.512 176.117 -0.062 0.000 1.104 98 I CA 1.009 62.314 61.300 0.007 0.000 1.397 98 I CB -0.324 37.745 38.000 0.115 0.000 1.072 98 I HN 0.164 nan 8.210 nan 0.000 0.417 99 D N 0.561 120.907 120.400 -0.090 0.000 2.403 99 D HA -0.126 4.514 4.640 0.000 0.000 0.227 99 D C 1.771 177.913 176.300 -0.262 0.000 0.995 99 D CA 0.659 54.567 54.000 -0.154 0.000 0.928 99 D CB 0.003 40.702 40.800 -0.169 0.000 0.887 99 D HN 0.351 nan 8.370 nan 0.000 0.529 100 Q N -1.349 118.261 119.800 -0.317 0.000 2.319 100 Q HA 0.288 4.628 4.340 0.000 0.000 0.209 100 Q C 1.376 177.266 176.000 -0.185 0.000 0.884 100 Q CA 0.552 56.156 55.803 -0.332 0.000 0.938 100 Q CB 1.503 29.965 28.738 -0.459 0.000 1.098 100 Q HN 0.292 nan 8.270 nan 0.000 0.517 101 G N -0.039 108.671 108.800 -0.150 0.000 2.273 101 G HA2 -0.177 3.783 3.960 0.000 0.000 0.162 101 G HA3 -0.177 3.783 3.960 0.000 0.000 0.162 101 G C 0.042 174.853 174.900 -0.147 0.000 1.006 101 G CA -0.177 44.852 45.100 -0.119 0.000 0.704 101 G HN 0.131 nan 8.290 nan 0.000 0.487 102 V N 1.970 121.763 119.914 -0.200 0.000 2.572 102 V HA 0.472 4.592 4.120 0.000 0.000 0.291 102 V C 0.666 176.485 176.094 -0.459 0.000 1.039 102 V CA 0.193 62.279 62.300 -0.356 0.000 1.055 102 V CB 1.419 32.963 31.823 -0.465 0.000 0.969 102 V HN 0.282 nan 8.190 nan 0.000 0.482 103 L N 6.428 127.380 121.223 -0.450 0.000 2.313 103 L HA 0.490 4.830 4.340 0.000 0.000 0.273 103 L C -0.560 176.103 176.870 -0.344 0.000 1.028 103 L CA -0.059 54.598 54.840 -0.305 0.000 0.871 103 L CB 0.525 42.495 42.059 -0.147 0.000 1.242 103 L HN 0.467 nan 8.230 nan 0.000 0.434 104 F N 0.757 120.698 119.950 -0.015 0.000 2.399 104 F HA 0.151 4.678 4.527 -0.000 0.000 0.342 104 F C 0.923 176.744 175.800 0.035 0.000 1.106 104 F CA -0.863 57.108 58.000 -0.049 0.000 1.196 104 F CB 0.524 39.407 39.000 -0.194 0.000 1.163 104 F HN 0.410 nan 8.300 nan 0.000 0.547 105 D N 1.843 122.303 120.400 0.101 0.000 2.819 105 D HA -0.080 4.560 4.640 0.000 0.000 0.236 105 D C 0.212 176.580 176.300 0.113 0.000 1.181 105 D CA 0.698 54.700 54.000 0.004 0.000 0.855 105 D CB 0.188 40.857 40.800 -0.218 0.000 1.146 105 D HN 0.380 nan 8.370 nan 0.000 0.540 106 T N 2.257 116.857 114.554 0.076 0.000 2.910 106 T HA 0.061 4.411 4.350 0.000 0.000 0.293 106 T C 0.710 175.461 174.700 0.085 0.000 1.015 106 T CA -0.423 61.711 62.100 0.056 0.000 1.094 106 T CB 0.978 69.840 68.868 -0.010 0.000 0.968 106 T HN 0.330 nan 8.240 nan 0.000 0.521 107 H N 1.937 121.039 119.070 0.052 0.000 2.849 107 H HA 0.430 4.986 4.556 0.000 0.000 0.178 107 H C 1.345 176.688 175.328 0.025 0.000 1.509 107 H CA 0.836 56.935 56.048 0.085 0.000 1.586 107 H CB 0.144 29.965 29.762 0.098 0.000 1.446 107 H HN 0.652 nan 8.280 nan 0.000 0.793 108 I N -3.747 116.946 120.570 0.205 0.000 4.962 108 I HA 0.126 4.296 4.170 0.000 0.000 0.402 108 I C 0.111 176.215 176.117 -0.022 0.000 0.942 108 I CA 0.066 61.404 61.300 0.064 0.000 1.538 108 I CB 0.502 38.544 38.000 0.069 0.000 2.659 108 I HN 0.341 nan 8.210 nan 0.000 0.824 109 Q N 1.926 121.651 119.800 -0.125 0.000 2.354 109 Q HA 0.365 4.705 4.340 0.000 0.000 0.276 109 Q C -2.531 173.320 176.000 -0.248 0.000 0.774 109 Q CA -0.998 54.691 55.803 -0.191 0.000 1.046 109 Q CB 0.881 29.516 28.738 -0.172 0.000 1.381 109 Q HN 0.219 nan 8.270 nan 0.000 0.378 110 P HA 0.012 nan 4.420 nan 0.000 0.273 110 P C 0.455 177.703 177.300 -0.086 0.000 1.248 110 P CA 0.051 63.081 63.100 -0.117 0.000 0.817 110 P CB 0.532 32.200 31.700 -0.054 0.000 0.995 111 N N -0.668 117.999 118.700 -0.055 0.000 2.521 111 N HA -0.030 4.710 4.740 0.000 0.000 0.188 111 N C 1.384 176.874 175.510 -0.034 0.000 1.146 111 N CA 0.861 53.885 53.050 -0.043 0.000 0.893 111 N CB -0.105 38.363 38.487 -0.032 0.000 0.975 111 N HN 0.486 nan 8.380 nan 0.000 0.451 112 G N -0.091 108.690 108.800 -0.032 0.000 2.651 112 G HA2 0.059 4.019 3.960 0.000 0.000 0.226 112 G HA3 0.059 4.019 3.960 0.000 0.000 0.226 112 G C 0.502 175.385 174.900 -0.028 0.000 1.542 112 G CA 0.175 45.260 45.100 -0.025 0.000 0.868 112 G HN 0.050 nan 8.290 nan 0.000 0.588 113 E N -0.173 120.010 120.200 -0.028 0.000 2.393 113 E HA 0.278 4.628 4.350 0.000 0.000 0.265 113 E C -0.944 175.638 176.600 -0.029 0.000 0.941 113 E CA -0.621 55.763 56.400 -0.027 0.000 0.801 113 E CB 2.258 31.945 29.700 -0.022 0.000 1.313 113 E HN 0.279 nan 8.360 nan 0.000 0.435 114 E N 0.388 120.572 120.200 -0.027 0.000 2.437 114 E HA 0.115 4.465 4.350 0.000 0.000 0.263 114 E C -0.849 175.731 176.600 -0.033 0.000 1.030 114 E CA 0.502 56.891 56.400 -0.020 0.000 0.934 114 E CB 0.596 30.276 29.700 -0.033 0.000 0.943 114 E HN 0.337 nan 8.360 nan 0.000 0.444 115 S N 1.582 117.285 115.700 0.007 0.000 2.880 115 S HA 0.300 4.770 4.470 0.000 0.000 0.308 115 S C -1.557 173.007 174.600 -0.061 0.000 1.195 115 S CA -0.703 57.469 58.200 -0.046 0.000 0.866 115 S CB 0.428 63.671 63.200 0.072 0.000 1.254 115 S HN 0.478 nan 8.310 nan 0.000 0.571 116 Y N 2.065 122.390 120.300 0.042 0.000 2.350 116 Y HA 0.287 4.837 4.550 0.000 0.000 0.340 116 Y C 0.931 176.797 175.900 -0.057 0.000 1.006 116 Y CA -0.330 57.746 58.100 -0.039 0.000 1.166 116 Y CB 0.489 38.823 38.460 -0.210 0.000 1.168 116 Y HN 0.594 nan 8.280 nan 0.000 0.502 117 H N 5.011 124.061 119.070 -0.034 0.000 2.707 117 H HA 0.348 4.904 4.556 -0.000 0.000 0.359 117 H C -1.339 173.951 175.328 -0.062 0.000 1.113 117 H CA 0.025 55.922 56.048 -0.253 0.000 1.422 117 H CB 0.703 30.170 29.762 -0.491 0.000 1.443 117 H HN 0.687 nan 8.280 nan 0.000 0.591 118 L N 4.509 125.178 121.223 -0.924 0.000 2.385 118 L HA 0.258 4.598 4.340 0.000 0.000 0.273 118 L C 0.381 176.923 176.870 -0.546 0.000 0.990 118 L CA -0.760 53.779 54.840 -0.502 0.000 0.821 118 L CB 2.232 44.130 42.059 -0.268 0.000 1.279 118 L HN 0.638 nan 8.230 nan 0.000 0.412 119 T N 0.735 115.064 114.554 -0.375 0.000 2.888 119 T HA 0.692 5.042 4.350 0.000 0.000 0.283 119 T C -0.251 174.297 174.700 -0.252 0.000 1.013 119 T CA -0.830 61.092 62.100 -0.297 0.000 0.938 119 T CB 1.398 70.046 68.868 -0.366 0.000 1.298 119 T HN 0.722 nan 8.240 nan 0.000 0.580 120 R N -0.604 119.767 120.500 -0.215 0.000 2.707 120 R HA 0.709 5.049 4.340 0.000 0.000 0.272 120 R C -1.428 174.737 176.300 -0.227 0.000 1.011 120 R CA -0.903 55.053 56.100 -0.240 0.000 0.893 120 R CB 1.894 32.129 30.300 -0.108 0.000 1.233 120 R HN 0.694 nan 8.270 nan 0.000 0.464 121 E N 0.614 120.628 120.200 -0.310 0.000 2.442 121 E HA 0.388 4.738 4.350 0.000 0.000 0.261 121 E C -0.459 176.135 176.600 -0.009 0.000 0.935 121 E CA -1.438 54.872 56.400 -0.151 0.000 0.856 121 E CB 1.559 31.164 29.700 -0.158 0.000 1.571 121 E HN 0.721 nan 8.360 nan 0.000 0.431 122 G N -1.103 107.717 108.800 0.032 0.000 2.527 122 G HA2 0.381 4.341 3.960 0.000 0.000 0.248 122 G HA3 0.381 4.341 3.960 0.000 0.000 0.248 122 G C 0.776 175.756 174.900 0.132 0.000 1.231 122 G CA 0.410 45.544 45.100 0.057 0.000 0.838 122 G HN 0.698 nan 8.290 nan 0.000 0.570 123 G N 0.118 108.961 108.800 0.072 0.000 2.267 123 G HA2 -0.256 3.704 3.960 0.000 0.000 0.257 123 G HA3 -0.256 3.704 3.960 0.000 0.000 0.257 123 G C 0.529 175.422 174.900 -0.013 0.000 0.998 123 G CA 0.588 45.702 45.100 0.022 0.000 0.620 123 G HN 0.926 nan 8.290 nan 0.000 0.529 124 H N 0.239 119.280 119.070 -0.047 0.000 2.607 124 H HA 0.500 5.056 4.556 -0.000 0.000 0.367 124 H C 0.427 175.693 175.328 -0.104 0.000 1.181 124 H CA 0.753 56.762 56.048 -0.065 0.000 1.402 124 H CB 1.327 31.044 29.762 -0.075 0.000 1.474 124 H HN 0.169 nan 8.280 nan 0.000 0.596 125 S N 0.772 116.430 115.700 -0.071 0.000 2.900 125 S HA 0.129 4.599 4.470 0.000 0.000 0.253 125 S C -0.371 173.935 174.600 -0.489 0.000 1.029 125 S CA -0.300 57.749 58.200 -0.252 0.000 1.096 125 S CB 0.387 63.416 63.200 -0.285 0.000 1.067 125 S HN 0.534 nan 8.310 nan 0.000 0.610 126 H N 0.631 119.727 119.070 0.043 0.000 3.017 126 H HA 0.420 4.976 4.556 0.000 0.000 0.346 126 H C -0.747 174.586 175.328 0.009 0.000 1.286 126 H CA -0.711 55.350 56.048 0.022 0.000 1.120 126 H CB 1.014 30.787 29.762 0.019 0.000 1.860 126 H HN -0.015 nan 8.280 nan 0.000 0.542 127 R N 1.503 122.074 120.500 0.118 0.000 2.198 127 R HA 0.328 4.668 4.340 0.000 0.000 0.339 127 R C 0.388 176.675 176.300 -0.021 0.000 1.020 127 R CA -0.270 55.828 56.100 -0.004 0.000 0.864 127 R CB 0.669 30.941 30.300 -0.047 0.000 1.105 127 R HN 0.635 nan 8.270 nan 0.000 0.463 128 R N 2.670 123.133 120.500 -0.062 0.000 2.521 128 R HA 0.261 4.601 4.340 0.000 0.000 0.436 128 R C -0.695 175.530 176.300 -0.124 0.000 0.917 128 R CA -0.376 55.693 56.100 -0.052 0.000 1.080 128 R CB 0.125 30.419 30.300 -0.010 0.000 1.530 128 R HN 0.370 nan 8.270 nan 0.000 0.596 129 I N 2.746 123.197 120.570 -0.199 0.000 2.337 129 I HA 0.242 4.412 4.170 0.000 0.000 0.285 129 I C 0.126 176.106 176.117 -0.229 0.000 1.041 129 I CA -0.898 60.265 61.300 -0.228 0.000 1.199 129 I CB 1.307 39.138 38.000 -0.281 0.000 1.370 129 I HN 0.124 nan 8.210 nan 0.000 0.470 130 L N 7.008 128.030 121.223 -0.336 0.000 2.453 130 L HA 0.174 4.514 4.340 0.000 0.000 0.272 130 L C 0.211 176.984 176.870 -0.163 0.000 1.182 130 L CA 0.510 55.076 54.840 -0.457 0.000 0.858 130 L CB -0.126 41.221 42.059 -1.186 0.000 1.120 130 L HN 0.744 nan 8.230 nan 0.000 0.474 131 H N 0.769 119.781 119.070 -0.097 0.000 2.943 131 H HA 0.828 5.384 4.556 -0.000 0.000 0.323 131 H C -1.234 174.216 175.328 0.203 0.000 1.296 131 H CA -1.166 54.931 56.048 0.081 0.000 1.155 131 H CB 1.969 31.746 29.762 0.025 0.000 1.882 131 H HN 0.558 nan 8.280 nan 0.000 0.553 132 A N 1.439 124.274 122.820 0.024 0.000 2.466 132 A HA 0.719 5.039 4.320 0.000 0.000 0.291 132 A C 0.794 178.298 177.584 -0.133 0.000 1.234 132 A CA 0.017 51.990 52.037 -0.106 0.000 0.752 132 A CB -0.012 18.961 19.000 -0.044 0.000 1.153 132 A HN 1.721 nan 8.150 nan 0.000 0.458 133 A N 2.320 124.972 122.820 -0.280 0.000 5.568 133 A HA -0.241 4.079 4.320 0.000 0.000 0.322 133 A C 0.814 178.463 177.584 0.108 0.000 1.802 133 A CA 1.738 53.696 52.037 -0.131 0.000 0.727 133 A CB -1.242 17.724 19.000 -0.057 0.000 1.362 133 A HN 1.709 nan 8.150 nan 0.000 0.396 134 D N -0.332 120.175 120.400 0.178 0.000 2.615 134 D HA 0.532 5.172 4.640 0.000 0.000 0.236 134 D C 0.062 176.474 176.300 0.187 0.000 1.233 134 D CA 0.895 55.087 54.000 0.321 0.000 0.829 134 D CB -0.239 40.894 40.800 0.556 0.000 1.024 134 D HN 1.625 nan 8.370 nan 0.000 0.490 135 A N -0.018 122.867 122.820 0.109 0.000 3.292 135 A HA 0.339 4.659 4.320 0.000 0.000 0.231 135 A C 1.290 178.863 177.584 -0.017 0.000 0.952 135 A CA -0.468 51.588 52.037 0.030 0.000 1.044 135 A CB -0.127 18.872 19.000 -0.001 0.000 1.236 135 A HN 0.036 nan 8.150 nan 0.000 0.525 136 T N 0.090 114.674 114.554 0.051 0.000 2.620 136 T HA -0.238 4.112 4.350 0.000 0.000 0.267 136 T C 2.193 176.881 174.700 -0.020 0.000 1.044 136 T CA 2.505 64.645 62.100 0.067 0.000 1.161 136 T CB -0.476 68.480 68.868 0.147 0.000 0.862 136 T HN 0.868 nan 8.240 nan 0.000 0.438 137 G N 1.627 110.393 108.800 -0.058 0.000 2.649 137 G HA2 -0.401 3.559 3.960 0.000 0.000 0.220 137 G HA3 -0.401 3.559 3.960 0.000 0.000 0.220 137 G C 1.485 176.215 174.900 -0.283 0.000 1.189 137 G CA 1.496 46.515 45.100 -0.134 0.000 0.777 137 G HN 0.554 nan 8.290 nan 0.000 0.602 138 R N -0.014 120.185 120.500 -0.502 0.000 2.103 138 R HA -0.121 4.219 4.340 0.000 0.000 0.242 138 R C 2.418 178.575 176.300 -0.237 0.000 1.142 138 R CA 1.776 57.499 56.100 -0.627 0.000 0.960 138 R CB -0.283 29.661 30.300 -0.595 0.000 0.858 138 R HN 0.305 nan 8.270 nan 0.000 0.439 139 E N 0.041 120.143 120.200 -0.163 0.000 2.106 139 E HA -0.109 4.241 4.350 0.000 0.000 0.192 139 E C 1.974 178.518 176.600 -0.093 0.000 0.984 139 E CA 1.060 57.388 56.400 -0.120 0.000 0.806 139 E CB 0.047 29.658 29.700 -0.148 0.000 0.750 139 E HN 0.234 nan 8.360 nan 0.000 0.458 140 V N 0.818 120.698 119.914 -0.057 0.000 2.283 140 V HA -0.199 3.921 4.120 0.000 0.000 0.243 140 V C 2.414 178.531 176.094 0.039 0.000 1.039 140 V CA 1.845 64.147 62.300 0.003 0.000 1.016 140 V CB -0.310 31.554 31.823 0.069 0.000 0.650 140 V HN 0.169 nan 8.190 nan 0.000 0.449 141 E N 0.499 120.727 120.200 0.047 0.000 2.007 141 E HA -0.210 4.140 4.350 0.000 0.000 0.194 141 E C 2.251 178.919 176.600 0.113 0.000 0.999 141 E CA 2.315 58.784 56.400 0.114 0.000 0.811 141 E CB -0.925 28.900 29.700 0.207 0.000 0.762 141 E HN 0.455 nan 8.360 nan 0.000 0.450 142 T N -0.118 114.509 114.554 0.122 0.000 2.668 142 T HA -0.267 4.083 4.350 0.000 0.000 0.265 142 T C 1.794 176.523 174.700 0.049 0.000 1.041 142 T CA 2.426 64.583 62.100 0.095 0.000 1.160 142 T CB -0.777 68.132 68.868 0.068 0.000 0.857 142 T HN 0.333 nan 8.240 nan 0.000 0.455 143 T N 1.825 116.392 114.554 0.022 0.000 2.732 143 T HA 0.100 4.450 4.350 0.000 0.000 0.261 143 T C 2.032 176.753 174.700 0.036 0.000 1.040 143 T CA 0.933 63.037 62.100 0.007 0.000 1.145 143 T CB -0.415 68.436 68.868 -0.029 0.000 0.866 143 T HN 0.276 nan 8.240 nan 0.000 0.427 144 L N 0.951 122.215 121.223 0.067 0.000 2.083 144 L HA -0.087 4.253 4.340 0.000 0.000 0.209 144 L C 2.659 179.581 176.870 0.088 0.000 1.083 144 L CA 0.679 55.580 54.840 0.101 0.000 0.752 144 L CB -0.895 41.251 42.059 0.145 0.000 0.899 144 L HN 0.120 nan 8.230 nan 0.000 0.433 145 V N -0.801 119.161 119.914 0.079 0.000 2.233 145 V HA -0.357 3.763 4.120 0.000 0.000 0.247 145 V C 2.720 178.848 176.094 0.056 0.000 1.050 145 V CA 2.264 64.605 62.300 0.067 0.000 1.010 145 V CB -0.556 31.306 31.823 0.066 0.000 0.637 145 V HN 0.475 nan 8.190 nan 0.000 0.444 146 S N -1.025 114.703 115.700 0.046 0.000 2.370 146 S HA -0.227 4.243 4.470 0.000 0.000 0.226 146 S C 2.066 176.692 174.600 0.043 0.000 1.033 146 S CA 1.625 59.847 58.200 0.036 0.000 1.011 146 S CB -0.231 62.983 63.200 0.022 0.000 0.852 146 S HN 0.560 nan 8.310 nan 0.000 0.457 147 K N 0.911 121.339 120.400 0.048 0.000 2.026 147 K HA -0.025 4.295 4.320 0.000 0.000 0.208 147 K C 2.401 179.062 176.600 0.102 0.000 1.048 147 K CA 1.261 57.587 56.287 0.065 0.000 0.929 147 K CB -0.560 31.972 32.500 0.055 0.000 0.713 147 K HN 0.444 nan 8.250 nan 0.000 0.439 148 A N 1.505 124.381 122.820 0.094 0.000 1.972 148 A HA -0.099 4.221 4.320 0.000 0.000 0.219 148 A C 2.162 179.803 177.584 0.095 0.000 1.169 148 A CA 1.089 53.182 52.037 0.093 0.000 0.635 148 A CB -0.536 18.506 19.000 0.070 0.000 0.810 148 A HN 0.166 nan 8.150 nan 0.000 0.446 149 L N -0.498 120.770 121.223 0.074 0.000 2.201 149 L HA -0.069 4.271 4.340 0.000 0.000 0.212 149 L C 0.978 177.891 176.870 0.071 0.000 1.105 149 L CA 0.664 55.541 54.840 0.062 0.000 0.775 149 L CB -0.209 41.875 42.059 0.042 0.000 0.913 149 L HN 0.304 nan 8.230 nan 0.000 0.440 150 N N -1.037 117.710 118.700 0.079 0.000 2.376 150 N HA 0.024 4.764 4.740 0.000 0.000 0.249 150 N C -0.566 174.991 175.510 0.079 0.000 1.140 150 N CA 0.195 53.281 53.050 0.059 0.000 0.870 150 N CB 0.017 38.522 38.487 0.030 0.000 1.124 150 N HN 0.164 nan 8.380 nan 0.000 0.505 151 H N 0.304 119.388 119.070 0.025 0.000 2.727 151 H HA 0.292 4.848 4.556 -0.000 0.000 0.330 151 H C -1.789 173.557 175.328 0.030 0.000 0.986 151 H CA -1.705 54.361 56.048 0.030 0.000 1.251 151 H CB 2.159 31.946 29.762 0.042 0.000 1.493 151 H HN -0.091 nan 8.280 nan 0.000 0.515 152 P HA -0.141 nan 4.420 nan 0.000 0.217 152 P C 0.730 178.173 177.300 0.239 0.000 1.151 152 P CA 1.125 64.319 63.100 0.155 0.000 0.849 152 P CB 0.524 32.253 31.700 0.048 0.000 0.787 153 N N -0.985 117.975 118.700 0.434 0.000 2.398 153 N HA 0.095 4.835 4.740 0.000 0.000 0.188 153 N C 0.305 175.849 175.510 0.057 0.000 1.122 153 N CA 0.393 53.556 53.050 0.189 0.000 0.866 153 N CB 0.267 38.860 38.487 0.178 0.000 0.970 153 N HN 0.268 nan 8.380 nan 0.000 0.462 154 I N 1.108 121.706 120.570 0.047 0.000 2.418 154 I HA 0.289 4.459 4.170 0.000 0.000 0.287 154 I C -0.203 175.941 176.117 0.046 0.000 1.008 154 I CA -0.647 60.655 61.300 0.003 0.000 1.104 154 I CB 1.677 39.645 38.000 -0.052 0.000 1.264 154 I HN -0.358 nan 8.210 nan 0.000 0.438 155 R N 5.168 125.691 120.500 0.039 0.000 2.295 155 R HA 0.549 4.889 4.340 0.000 0.000 0.324 155 R C -1.003 175.311 176.300 0.023 0.000 0.968 155 R CA -0.696 55.429 56.100 0.041 0.000 0.837 155 R CB 2.112 32.443 30.300 0.051 0.000 1.133 155 R HN 0.331 nan 8.270 nan 0.000 0.450 156 V N 5.863 125.790 119.914 0.022 0.000 2.385 156 V HA 0.224 4.344 4.120 0.000 0.000 0.269 156 V C 0.142 176.232 176.094 -0.006 0.000 1.043 156 V CA -0.463 61.842 62.300 0.009 0.000 0.906 156 V CB 1.040 32.873 31.823 0.017 0.000 0.995 156 V HN 0.599 nan 8.190 nan 0.000 0.467 157 L N 5.304 126.512 121.223 -0.026 0.000 2.321 157 L HA 0.467 4.807 4.340 0.000 0.000 0.272 157 L C 0.628 177.473 176.870 -0.041 0.000 1.050 157 L CA -0.242 54.569 54.840 -0.049 0.000 0.893 157 L CB 0.661 42.657 42.059 -0.105 0.000 1.272 157 L HN 0.636 nan 8.230 nan 0.000 0.435 158 E N 2.684 122.865 120.200 -0.032 0.000 2.435 158 E HA 0.136 4.486 4.350 0.000 0.000 0.256 158 E C 0.070 176.646 176.600 -0.040 0.000 1.245 158 E CA -0.435 55.949 56.400 -0.028 0.000 0.989 158 E CB 0.377 30.062 29.700 -0.026 0.000 0.983 158 E HN 0.337 nan 8.360 nan 0.000 0.480 159 R N -0.092 120.388 120.500 -0.033 0.000 3.184 159 R HA -0.182 4.158 4.340 0.000 0.000 0.242 159 R C -0.868 175.396 176.300 -0.060 0.000 0.907 159 R CA 0.496 56.569 56.100 -0.044 0.000 0.618 159 R CB -2.104 28.152 30.300 -0.073 0.000 1.016 159 R HN 0.281 nan 8.270 nan 0.000 0.469 160 T N 0.793 115.330 114.554 -0.028 0.000 2.949 160 T HA 0.190 4.540 4.350 0.000 0.000 0.300 160 T C -0.687 174.029 174.700 0.026 0.000 0.988 160 T CA -0.711 61.372 62.100 -0.029 0.000 0.993 160 T CB 1.420 70.256 68.868 -0.053 0.000 0.984 160 T HN 0.174 nan 8.240 nan 0.000 0.442 161 N N 2.612 121.365 118.700 0.088 0.000 2.469 161 N HA 0.548 5.288 4.740 0.000 0.000 0.253 161 N C -0.179 175.386 175.510 0.092 0.000 0.970 161 N CA -0.503 52.618 53.050 0.118 0.000 0.940 161 N CB 1.234 39.854 38.487 0.220 0.000 1.128 161 N HN 0.748 nan 8.380 nan 0.000 0.503 162 A N 2.556 125.408 122.820 0.052 0.000 2.445 162 A HA 0.307 4.627 4.320 0.000 0.000 0.242 162 A C 0.988 178.585 177.584 0.021 0.000 1.075 162 A CA -0.320 51.740 52.037 0.037 0.000 0.777 162 A CB 0.529 19.549 19.000 0.033 0.000 1.013 162 A HN 0.517 nan 8.150 nan 0.000 0.493 163 V N 0.687 120.597 119.914 -0.007 0.000 3.013 163 V HA 0.224 4.344 4.120 0.000 0.000 0.238 163 V C 0.116 176.227 176.094 0.027 0.000 1.161 163 V CA 1.035 63.290 62.300 -0.075 0.000 1.170 163 V CB -0.158 31.456 31.823 -0.349 0.000 0.917 163 V HN 0.891 nan 8.190 nan 0.000 0.478 164 D N -1.512 118.964 120.400 0.127 0.000 2.728 164 D HA 0.418 5.058 4.640 0.000 0.000 0.249 164 D C -1.372 175.055 176.300 0.212 0.000 1.225 164 D CA -0.408 53.729 54.000 0.228 0.000 0.748 164 D CB 1.920 42.951 40.800 0.386 0.000 1.326 164 D HN -0.049 nan 8.370 nan 0.000 0.426 165 L N 0.790 122.090 121.223 0.129 0.000 2.360 165 L HA 0.575 4.915 4.340 0.000 0.000 0.271 165 L C 0.198 177.005 176.870 -0.104 0.000 1.057 165 L CA -0.865 53.965 54.840 -0.017 0.000 0.803 165 L CB 1.056 43.115 42.059 0.001 0.000 1.207 165 L HN 0.235 nan 8.230 nan 0.000 0.445 166 I N 2.284 122.661 120.570 -0.322 0.000 2.304 166 I HA 0.277 4.447 4.170 0.000 0.000 0.291 166 I C -0.537 175.474 176.117 -0.176 0.000 1.018 166 I CA -0.638 60.414 61.300 -0.414 0.000 1.260 166 I CB 1.312 38.881 38.000 -0.718 0.000 1.390 166 I HN 0.183 nan 8.210 nan 0.000 0.475 167 V N 5.599 125.471 119.914 -0.071 0.000 2.394 167 V HA 0.083 4.203 4.120 0.000 0.000 0.282 167 V C 1.242 177.322 176.094 -0.023 0.000 1.031 167 V CA -0.162 62.117 62.300 -0.035 0.000 0.881 167 V CB 1.646 33.469 31.823 -0.000 0.000 0.982 167 V HN 0.988 nan 8.190 nan 0.000 0.451 168 S N 3.142 118.818 115.700 -0.040 0.000 2.370 168 S HA -0.213 4.257 4.470 0.000 0.000 0.226 168 S C 1.355 175.946 174.600 -0.015 0.000 1.033 168 S CA 1.585 59.764 58.200 -0.035 0.000 1.011 168 S CB -0.385 62.779 63.200 -0.060 0.000 0.852 168 S HN 0.916 nan 8.310 nan 0.000 0.457 169 D N 0.912 121.303 120.400 -0.015 0.000 2.378 169 D HA 0.008 4.648 4.640 0.000 0.000 0.227 169 D C 1.399 177.705 176.300 0.009 0.000 1.012 169 D CA 0.530 54.526 54.000 -0.007 0.000 0.905 169 D CB -0.226 40.565 40.800 -0.014 0.000 0.895 169 D HN 0.470 nan 8.370 nan 0.000 0.532 170 K N -0.073 120.342 120.400 0.026 0.000 2.348 170 K HA 0.192 4.512 4.320 0.000 0.000 0.194 170 K C 1.207 177.853 176.600 0.078 0.000 1.052 170 K CA 0.134 56.453 56.287 0.053 0.000 1.004 170 K CB 0.501 33.050 32.500 0.083 0.000 0.873 170 K HN 0.261 nan 8.250 nan 0.000 0.523 171 I N -2.638 117.978 120.570 0.076 0.000 3.517 171 I HA 0.402 4.572 4.170 0.000 0.000 0.346 171 I C 0.425 176.573 176.117 0.052 0.000 1.510 171 I CA -0.531 60.823 61.300 0.091 0.000 1.090 171 I CB 0.472 38.548 38.000 0.128 0.000 1.506 171 I HN 0.038 nan 8.210 nan 0.000 0.477 172 G N 1.830 110.650 108.800 0.034 0.000 2.337 172 G HA2 -0.292 3.668 3.960 0.000 0.000 0.290 172 G HA3 -0.292 3.668 3.960 0.000 0.000 0.290 172 G C 0.088 174.996 174.900 0.014 0.000 1.003 172 G CA 0.568 45.680 45.100 0.020 0.000 0.825 172 G HN 0.575 nan 8.290 nan 0.000 0.509 173 L N 0.663 121.890 121.223 0.007 0.000 2.456 173 L HA 0.614 4.954 4.340 0.000 0.000 0.257 173 L C -1.289 175.572 176.870 -0.016 0.000 1.162 173 L CA -1.749 53.086 54.840 -0.008 0.000 0.808 173 L CB 1.374 43.419 42.059 -0.023 0.000 1.136 173 L HN 0.124 nan 8.230 nan 0.000 0.466 174 P HA 0.648 nan 4.420 nan 0.000 0.294 174 P C -0.867 176.412 177.300 -0.034 0.000 1.325 174 P CA -0.264 62.825 63.100 -0.020 0.000 0.978 174 P CB 2.449 34.144 31.700 -0.009 0.000 1.288 175 G N 0.214 109.000 108.800 -0.024 0.000 2.384 175 G HA2 0.124 4.084 3.960 0.000 0.000 0.668 175 G HA3 0.124 4.084 3.960 0.000 0.000 0.668 175 G C -0.381 174.505 174.900 -0.024 0.000 1.280 175 G CA -0.252 44.834 45.100 -0.023 0.000 0.992 175 G HN 0.801 nan 8.290 nan 0.000 0.512 176 T N -1.303 113.240 114.554 -0.018 0.000 2.766 176 T HA 0.521 4.871 4.350 0.000 0.000 0.295 176 T C 0.881 175.563 174.700 -0.031 0.000 1.024 176 T CA 0.179 62.268 62.100 -0.019 0.000 1.018 176 T CB 1.045 69.908 68.868 -0.009 0.000 1.002 176 T HN 0.800 nan 8.240 nan 0.000 0.532 177 R N 1.688 122.170 120.500 -0.030 0.000 2.458 177 R HA 0.159 4.499 4.340 0.000 0.000 0.303 177 R C 0.299 176.576 176.300 -0.038 0.000 1.013 177 R CA -0.069 56.010 56.100 -0.035 0.000 1.026 177 R CB 0.091 30.369 30.300 -0.035 0.000 0.948 177 R HN 0.897 nan 8.270 nan 0.000 0.417 178 R N 1.438 121.911 120.500 -0.044 0.000 2.680 178 R HA 0.292 4.632 4.340 0.000 0.000 0.269 178 R C -1.540 174.732 176.300 -0.048 0.000 1.026 178 R CA -0.966 55.108 56.100 -0.043 0.000 0.889 178 R CB 1.088 31.364 30.300 -0.039 0.000 1.241 178 R HN 0.218 nan 8.270 nan 0.000 0.463 179 V N 2.234 122.125 119.914 -0.039 0.000 2.775 179 V HA 0.154 4.274 4.120 0.000 0.000 0.299 179 V C 0.907 176.973 176.094 -0.046 0.000 1.062 179 V CA 0.388 62.661 62.300 -0.046 0.000 1.063 179 V CB 1.589 33.394 31.823 -0.031 0.000 0.994 179 V HN 0.725 nan 8.190 nan 0.000 0.483 180 V N 1.148 121.015 119.914 -0.079 0.000 3.392 180 V HA 0.833 4.953 4.120 0.000 0.000 0.294 180 V C 0.289 176.321 176.094 -0.102 0.000 1.561 180 V CA 0.746 63.007 62.300 -0.066 0.000 1.056 180 V CB 0.056 31.838 31.823 -0.068 0.000 0.882 180 V HN 1.178 nan 8.190 nan 0.000 0.440 181 G N -0.372 108.330 108.800 -0.163 0.000 2.360 181 G HA2 0.764 4.724 3.960 0.000 0.000 0.276 181 G HA3 0.764 4.724 3.960 0.000 0.000 0.276 181 G C -1.272 173.470 174.900 -0.265 0.000 1.256 181 G CA 0.266 45.242 45.100 -0.206 0.000 0.890 181 G HN 1.500 nan 8.290 nan 0.000 0.486 182 A N -1.430 121.202 122.820 -0.313 0.000 2.604 182 A HA 0.670 4.990 4.320 0.000 0.000 0.295 182 A C -1.858 175.565 177.584 -0.269 0.000 1.067 182 A CA -0.479 51.399 52.037 -0.266 0.000 0.683 182 A CB 1.168 20.113 19.000 -0.091 0.000 1.281 182 A HN 0.868 nan 8.150 nan 0.000 0.407 183 W N 1.581 122.870 121.300 -0.018 0.000 2.351 183 W HA 0.562 5.222 4.660 0.000 0.000 0.311 183 W C -0.825 175.628 176.519 -0.110 0.000 1.168 183 W CA -0.476 56.842 57.345 -0.045 0.000 1.200 183 W CB 1.788 31.212 29.460 -0.061 0.000 1.221 183 W HN 0.458 nan 8.180 nan 0.000 0.519 184 V N 3.623 123.620 119.914 0.139 0.000 2.531 184 V HA 0.167 4.287 4.120 0.000 0.000 0.301 184 V C -0.812 175.337 176.094 0.092 0.000 1.034 184 V CA -1.016 61.325 62.300 0.068 0.000 0.865 184 V CB 1.916 33.754 31.823 0.024 0.000 0.995 184 V HN 0.443 nan 8.190 nan 0.000 0.424 185 W N 5.685 126.917 121.300 -0.112 0.000 2.529 185 W HA 0.249 4.909 4.660 -0.000 0.000 0.319 185 W C 0.710 177.196 176.519 -0.055 0.000 1.362 185 W CA -0.523 56.761 57.345 -0.101 0.000 1.348 185 W CB 0.356 29.749 29.460 -0.110 0.000 1.403 185 W HN 0.669 nan 8.180 nan 0.000 0.519 186 N N 6.007 124.566 118.700 -0.234 0.000 2.466 186 N HA 0.006 4.746 4.740 0.000 0.000 0.263 186 N C 1.394 176.507 175.510 -0.662 0.000 1.178 186 N CA 0.264 53.125 53.050 -0.315 0.000 0.983 186 N CB 0.253 38.632 38.487 -0.180 0.000 1.331 186 N HN 0.540 nan 8.380 nan 0.000 0.500 187 R N 2.519 122.611 120.500 -0.681 0.000 2.134 187 R HA -0.203 4.137 4.340 0.000 0.000 0.248 187 R C 0.772 176.695 176.300 -0.627 0.000 1.143 187 R CA 1.547 57.108 56.100 -0.898 0.000 0.957 187 R CB -0.241 29.814 30.300 -0.408 0.000 0.867 187 R HN 0.565 nan 8.270 nan 0.000 0.441 188 N N 0.419 118.899 118.700 -0.366 0.000 2.188 188 N HA -0.094 4.646 4.740 0.000 0.000 0.184 188 N C 1.031 176.414 175.510 -0.213 0.000 1.018 188 N CA 1.247 54.156 53.050 -0.235 0.000 0.858 188 N CB 0.045 38.444 38.487 -0.147 0.000 0.989 188 N HN 0.275 nan 8.380 nan 0.000 0.426 189 K N 0.422 120.681 120.400 -0.235 0.000 2.374 189 K HA 0.170 4.490 4.320 0.000 0.000 0.202 189 K C -0.617 175.880 176.600 -0.172 0.000 1.040 189 K CA -0.053 56.143 56.287 -0.153 0.000 1.085 189 K CB 0.726 33.169 32.500 -0.095 0.000 0.873 189 K HN 0.090 nan 8.250 nan 0.000 0.539 190 E N 1.228 121.223 120.200 -0.340 0.000 2.297 190 E HA -0.184 4.166 4.350 0.000 0.000 0.228 190 E C -0.805 175.767 176.600 -0.047 0.000 1.213 190 E CA 0.754 56.976 56.400 -0.296 0.000 0.712 190 E CB -1.771 27.883 29.700 -0.077 0.000 1.202 190 E HN 0.352 nan 8.360 nan 0.000 0.376 191 T N -2.335 112.161 114.554 -0.098 0.000 2.865 191 T HA 0.576 4.926 4.350 0.000 0.000 0.294 191 T C 0.006 174.788 174.700 0.137 0.000 1.119 191 T CA -0.892 61.267 62.100 0.099 0.000 1.007 191 T CB 2.056 70.972 68.868 0.080 0.000 1.225 191 T HN -0.005 nan 8.240 nan 0.000 0.515 192 V N 1.602 121.640 119.914 0.207 0.000 2.383 192 V HA 0.405 4.525 4.120 0.000 0.000 0.275 192 V C 0.180 176.389 176.094 0.192 0.000 1.036 192 V CA -0.542 61.844 62.300 0.144 0.000 0.889 192 V CB 0.563 32.347 31.823 -0.064 0.000 0.985 192 V HN 0.821 nan 8.190 nan 0.000 0.459 193 E N 2.010 122.317 120.200 0.178 0.000 2.254 193 E HA 0.594 4.944 4.350 0.000 0.000 0.258 193 E C -0.609 176.152 176.600 0.268 0.000 1.033 193 E CA -0.718 55.817 56.400 0.224 0.000 0.893 193 E CB 1.741 31.572 29.700 0.218 0.000 1.204 193 E HN 0.624 nan 8.360 nan 0.000 0.425 194 T N 0.446 115.154 114.554 0.258 0.000 2.829 194 T HA 0.333 4.683 4.350 0.000 0.000 0.280 194 T C -1.310 173.430 174.700 0.066 0.000 0.999 194 T CA -0.394 61.788 62.100 0.136 0.000 0.983 194 T CB 0.833 69.756 68.868 0.092 0.000 0.968 194 T HN 0.438 nan 8.240 nan 0.000 0.446 195 C N 5.571 124.819 119.300 -0.086 0.000 2.364 195 C HA 0.538 4.998 4.460 0.000 0.000 0.324 195 C C -0.392 174.519 174.990 -0.132 0.000 1.234 195 C CA -0.640 58.383 59.018 0.008 0.000 1.417 195 C CB -0.561 27.180 27.740 0.003 0.000 2.101 195 C HN 0.930 nan 8.230 nan 0.000 0.466 196 H N 3.296 122.381 119.070 0.025 0.000 2.479 196 H HA 0.768 5.324 4.556 -0.000 0.000 0.335 196 H C 0.136 175.469 175.328 0.007 0.000 1.142 196 H CA -0.054 55.992 56.048 -0.004 0.000 1.234 196 H CB 1.996 31.767 29.762 0.014 0.000 1.503 196 H HN 0.926 nan 8.280 nan 0.000 0.510 197 A N 1.411 124.296 122.820 0.108 0.000 2.586 197 A HA 0.300 4.620 4.320 0.000 0.000 0.291 197 A C -0.105 177.521 177.584 0.070 0.000 1.062 197 A CA -0.772 51.313 52.037 0.079 0.000 0.666 197 A CB 1.410 20.441 19.000 0.052 0.000 1.281 197 A HN 0.685 nan 8.150 nan 0.000 0.421 198 K N -0.311 120.135 120.400 0.076 0.000 2.334 198 K HA 0.492 4.812 4.320 0.000 0.000 0.195 198 K C 0.362 177.020 176.600 0.096 0.000 1.045 198 K CA 1.214 57.556 56.287 0.092 0.000 1.004 198 K CB 0.794 33.351 32.500 0.094 0.000 0.837 198 K HN 0.896 nan 8.250 nan 0.000 0.510 199 A N 0.799 123.669 122.820 0.083 0.000 2.427 199 A HA 0.540 4.860 4.320 0.000 0.000 0.298 199 A C -1.255 176.386 177.584 0.094 0.000 1.036 199 A CA -0.625 51.484 52.037 0.121 0.000 0.701 199 A CB 1.580 20.650 19.000 0.117 0.000 1.250 199 A HN -0.082 nan 8.150 nan 0.000 0.412 200 V N 2.500 122.489 119.914 0.124 0.000 2.459 200 V HA 0.534 4.654 4.120 0.000 0.000 0.295 200 V C -0.463 175.727 176.094 0.159 0.000 1.029 200 V CA -0.483 61.873 62.300 0.093 0.000 0.874 200 V CB 1.719 33.569 31.823 0.045 0.000 0.985 200 V HN 0.685 nan 8.190 nan 0.000 0.438 201 V N 6.267 126.244 119.914 0.105 0.000 2.378 201 V HA 0.415 4.535 4.120 0.000 0.000 0.288 201 V C -0.089 176.056 176.094 0.085 0.000 1.016 201 V CA -0.583 61.789 62.300 0.119 0.000 0.840 201 V CB 1.592 33.438 31.823 0.039 0.000 0.994 201 V HN 0.643 nan 8.190 nan 0.000 0.431 202 L N 4.499 125.782 121.223 0.099 0.000 2.369 202 L HA 0.527 4.867 4.340 0.000 0.000 0.279 202 L C 0.729 177.642 176.870 0.072 0.000 1.108 202 L CA 0.162 55.047 54.840 0.076 0.000 0.852 202 L CB 0.844 42.947 42.059 0.075 0.000 1.169 202 L HN 0.806 nan 8.230 nan 0.000 0.452 203 A N 1.491 124.348 122.820 0.062 0.000 3.308 203 A HA 0.292 4.612 4.320 0.000 0.000 0.275 203 A C 0.865 178.487 177.584 0.063 0.000 0.950 203 A CA -0.232 51.844 52.037 0.065 0.000 0.987 203 A CB -0.050 18.987 19.000 0.063 0.000 1.146 203 A HN 0.740 nan 8.150 nan 0.000 0.488 204 T N -3.317 111.271 114.554 0.058 0.000 3.065 204 T HA 0.486 4.836 4.350 0.000 0.000 0.252 204 T C 1.194 175.928 174.700 0.057 0.000 1.099 204 T CA 0.945 63.079 62.100 0.056 0.000 1.063 204 T CB 0.157 69.054 68.868 0.050 0.000 0.948 204 T HN 2.056 nan 8.240 nan 0.000 0.506 205 G N -0.187 108.645 108.800 0.054 0.000 2.447 205 G HA2 0.349 4.309 3.960 0.000 0.000 0.220 205 G HA3 0.349 4.309 3.960 0.000 0.000 0.220 205 G C -0.097 174.808 174.900 0.009 0.000 1.261 205 G CA -0.436 44.695 45.100 0.051 0.000 1.000 205 G HN 0.811 nan 8.290 nan 0.000 0.515 206 G N -2.072 106.720 108.800 -0.012 0.000 2.990 206 G HA2 0.788 4.748 3.960 0.000 0.000 0.208 206 G HA3 0.788 4.748 3.960 0.000 0.000 0.208 206 G C 0.570 175.451 174.900 -0.032 0.000 1.334 206 G CA 0.890 45.952 45.100 -0.062 0.000 1.024 206 G HN 2.054 nan 8.290 nan 0.000 0.574 207 A N -0.943 121.849 122.820 -0.047 0.000 2.603 207 A HA 0.494 4.814 4.320 0.000 0.000 0.277 207 A C 1.598 179.174 177.584 -0.013 0.000 1.158 207 A CA 0.656 52.672 52.037 -0.035 0.000 0.962 207 A CB 0.232 19.194 19.000 -0.063 0.000 1.189 207 A HN 0.382 nan 8.150 nan 0.000 0.552 208 S N 0.300 116.021 115.700 0.035 0.000 2.500 208 S HA -0.110 4.360 4.470 0.000 0.000 0.239 208 S C 1.761 176.440 174.600 0.131 0.000 0.989 208 S CA 1.501 59.784 58.200 0.139 0.000 0.951 208 S CB -0.111 63.166 63.200 0.129 0.000 0.759 208 S HN 0.594 nan 8.310 nan 0.000 0.523 209 K N 1.888 122.310 120.400 0.036 0.000 2.504 209 K HA 0.008 4.328 4.320 0.000 0.000 0.195 209 K C 1.459 177.960 176.600 -0.165 0.000 1.036 209 K CA 0.434 56.708 56.287 -0.022 0.000 0.984 209 K CB -0.249 32.265 32.500 0.022 0.000 0.788 209 K HN 0.351 nan 8.250 nan 0.000 0.488 210 V N -1.330 118.467 119.914 -0.195 0.000 3.078 210 V HA -0.013 4.107 4.120 0.000 0.000 0.265 210 V C 0.346 176.184 176.094 -0.426 0.000 1.122 210 V CA 0.400 62.478 62.300 -0.369 0.000 1.141 210 V CB -1.200 30.336 31.823 -0.479 0.000 0.735 210 V HN -0.008 nan 8.190 nan 0.000 0.498 211 Y N 0.486 120.735 120.300 -0.085 0.000 2.361 211 Y HA 0.385 4.935 4.550 0.000 0.000 0.332 211 Y C 1.608 177.419 175.900 -0.147 0.000 1.101 211 Y CA -0.773 57.347 58.100 0.033 0.000 1.137 211 Y CB 1.454 40.096 38.460 0.303 0.000 1.207 211 Y HN -0.060 nan 8.280 nan 0.000 0.463 212 Q N 1.649 121.387 119.800 -0.104 0.000 2.156 212 Q HA -0.214 4.126 4.340 0.000 0.000 0.211 212 Q C -0.748 174.817 176.000 -0.726 0.000 0.995 212 Q CA 1.749 57.193 55.803 -0.597 0.000 0.877 212 Q CB 0.006 28.147 28.738 -0.995 0.000 0.920 212 Q HN 0.645 nan 8.270 nan 0.000 0.416 213 Y N -0.810 119.340 120.300 -0.250 0.000 2.335 213 Y HA 0.471 5.021 4.550 0.000 0.000 0.338 213 Y C 0.046 175.956 175.900 0.016 0.000 0.977 213 Y CA -0.540 57.425 58.100 -0.226 0.000 1.114 213 Y CB 2.092 40.234 38.460 -0.530 0.000 1.182 213 Y HN -0.209 nan 8.280 nan 0.000 0.463 214 T N -0.743 113.924 114.554 0.189 0.000 2.821 214 T HA 0.284 4.634 4.350 0.000 0.000 0.306 214 T C 0.507 175.301 174.700 0.157 0.000 1.313 214 T CA -0.200 62.020 62.100 0.201 0.000 1.012 214 T CB 1.171 70.141 68.868 0.169 0.000 1.298 214 T HN 0.657 nan 8.240 nan 0.000 0.502 215 T N 0.061 114.722 114.554 0.178 0.000 3.129 215 T HA 0.288 4.638 4.350 0.000 0.000 0.251 215 T C 0.596 175.341 174.700 0.075 0.000 1.117 215 T CA -0.142 62.035 62.100 0.129 0.000 1.034 215 T CB -0.518 68.477 68.868 0.212 0.000 0.968 215 T HN 0.489 nan 8.240 nan 0.000 0.526 216 N N 2.693 121.436 118.700 0.070 0.000 2.508 216 N HA 0.323 5.063 4.740 0.000 0.000 0.285 216 N C -2.690 172.801 175.510 -0.031 0.000 1.144 216 N CA -1.614 51.450 53.050 0.023 0.000 0.978 216 N CB 1.241 39.760 38.487 0.052 0.000 1.180 216 N HN 0.129 nan 8.380 nan 0.000 0.484 217 P HA 0.053 nan 4.420 nan 0.000 0.272 217 P C -0.235 177.081 177.300 0.026 0.000 1.254 217 P CA -0.011 63.040 63.100 -0.082 0.000 0.795 217 P CB 0.525 32.221 31.700 -0.007 0.000 1.022 218 D N -0.467 119.962 120.400 0.048 0.000 2.336 218 D HA 0.057 4.697 4.640 0.000 0.000 0.229 218 D C 1.435 177.794 176.300 0.099 0.000 1.061 218 D CA 0.445 54.504 54.000 0.097 0.000 0.875 218 D CB -0.417 40.429 40.800 0.077 0.000 0.904 218 D HN 0.285 nan 8.370 nan 0.000 0.525 219 I N -0.331 120.289 120.570 0.083 0.000 2.703 219 I HA -0.084 4.086 4.170 0.000 0.000 0.259 219 I C 0.881 177.046 176.117 0.080 0.000 1.151 219 I CA 0.364 61.712 61.300 0.081 0.000 1.470 219 I CB 0.266 38.317 38.000 0.086 0.000 1.112 219 I HN -0.238 nan 8.210 nan 0.000 0.437 220 S N 1.467 117.213 115.700 0.077 0.000 3.844 220 S HA -0.023 4.447 4.470 0.000 0.000 0.193 220 S C 1.350 175.979 174.600 0.048 0.000 1.255 220 S CA 0.183 58.418 58.200 0.059 0.000 1.028 220 S CB -0.576 62.655 63.200 0.052 0.000 1.436 220 S HN 0.441 nan 8.310 nan 0.000 0.442 221 S N 0.350 116.084 115.700 0.056 0.000 2.671 221 S HA 0.315 4.785 4.470 0.000 0.000 0.220 221 S C 1.482 176.091 174.600 0.015 0.000 0.951 221 S CA 0.044 58.272 58.200 0.047 0.000 0.932 221 S CB -0.133 63.117 63.200 0.083 0.000 0.777 221 S HN 0.793 nan 8.310 nan 0.000 0.508 222 G N 1.788 110.592 108.800 0.006 0.000 2.166 222 G HA2 -0.340 3.620 3.960 0.000 0.000 0.260 222 G HA3 -0.340 3.620 3.960 0.000 0.000 0.260 222 G C 0.429 175.335 174.900 0.010 0.000 0.986 222 G CA 0.481 45.576 45.100 -0.008 0.000 0.683 222 G HN 0.514 nan 8.290 nan 0.000 0.527 223 D N 0.457 120.873 120.400 0.026 0.000 2.127 223 D HA -0.136 4.504 4.640 0.000 0.000 0.190 223 D C 2.511 178.839 176.300 0.048 0.000 1.000 223 D CA 2.094 56.117 54.000 0.038 0.000 0.839 223 D CB -0.966 39.859 40.800 0.041 0.000 0.955 223 D HN 0.605 nan 8.370 nan 0.000 0.446 224 G N 0.408 109.236 108.800 0.047 0.000 2.462 224 G HA2 -0.199 3.761 3.960 0.000 0.000 0.220 224 G HA3 -0.199 3.761 3.960 0.000 0.000 0.220 224 G C 1.777 176.716 174.900 0.065 0.000 1.121 224 G CA 0.382 45.517 45.100 0.057 0.000 0.758 224 G HN 0.285 nan 8.290 nan 0.000 0.559 225 I N 1.048 121.646 120.570 0.047 0.000 2.202 225 I HA -0.139 4.031 4.170 0.000 0.000 0.242 225 I C 3.266 179.435 176.117 0.086 0.000 1.091 225 I CA 0.979 62.309 61.300 0.050 0.000 1.368 225 I CB -0.308 37.692 38.000 0.001 0.000 1.058 225 I HN 0.251 nan 8.210 nan 0.000 0.410 226 A N 0.799 123.658 122.820 0.066 0.000 1.898 226 A HA -0.194 4.126 4.320 0.000 0.000 0.216 226 A C 2.378 180.065 177.584 0.173 0.000 1.181 226 A CA 1.408 53.508 52.037 0.105 0.000 0.620 226 A CB -0.568 18.471 19.000 0.066 0.000 0.819 226 A HN 0.293 nan 8.150 nan 0.000 0.442 227 M N -0.478 119.199 119.600 0.128 0.000 2.080 227 M HA -0.221 4.259 4.480 0.000 0.000 0.260 227 M C 2.509 178.894 176.300 0.142 0.000 1.068 227 M CA 1.660 57.038 55.300 0.130 0.000 1.109 227 M CB -0.441 32.217 32.600 0.097 0.000 1.342 227 M HN 0.502 nan 8.290 nan 0.000 0.405 228 A N -0.272 122.634 122.820 0.143 0.000 1.969 228 A HA -0.207 4.113 4.320 0.000 0.000 0.218 228 A C 1.988 179.680 177.584 0.180 0.000 1.169 228 A CA 1.106 53.223 52.037 0.134 0.000 0.635 228 A CB -1.112 17.962 19.000 0.124 0.000 0.810 228 A HN 0.831 nan 8.150 nan 0.000 0.445 229 W N 0.874 122.188 121.300 0.023 0.000 2.379 229 W HA -0.123 4.537 4.660 -0.000 0.000 0.307 229 W C 2.003 178.538 176.519 0.027 0.000 1.200 229 W CA 1.475 58.832 57.345 0.019 0.000 1.297 229 W CB -0.350 29.118 29.460 0.013 0.000 1.140 229 W HN 0.288 nan 8.180 nan 0.000 0.507 230 R N 0.455 121.077 120.500 0.204 0.000 2.200 230 R HA -0.131 4.209 4.340 0.000 0.000 0.234 230 R C 2.149 178.445 176.300 -0.006 0.000 1.127 230 R CA 1.347 57.494 56.100 0.078 0.000 0.989 230 R CB -0.520 29.879 30.300 0.165 0.000 0.869 230 R HN 0.132 nan 8.270 nan 0.000 0.459 231 A N -0.474 122.352 122.820 0.011 0.000 2.251 231 A HA 0.268 4.588 4.320 0.000 0.000 0.209 231 A C 1.321 178.865 177.584 -0.067 0.000 1.187 231 A CA 0.713 52.745 52.037 -0.008 0.000 0.823 231 A CB 0.274 19.288 19.000 0.022 0.000 0.846 231 A HN 0.415 nan 8.150 nan 0.000 0.486 232 G N -2.041 106.669 108.800 -0.150 0.000 2.184 232 G HA2 -0.217 3.743 3.960 0.000 0.000 0.206 232 G HA3 -0.217 3.743 3.960 0.000 0.000 0.206 232 G C 0.188 174.996 174.900 -0.152 0.000 0.995 232 G CA -0.137 44.846 45.100 -0.195 0.000 0.651 232 G HN 0.555 nan 8.290 nan 0.000 0.511 233 C N 1.877 121.138 119.300 -0.064 0.000 2.601 233 C HA 0.637 5.097 4.460 0.000 0.000 0.409 233 C C 1.401 176.437 174.990 0.077 0.000 1.293 233 C CA -0.622 58.406 59.018 0.016 0.000 2.101 233 C CB 0.200 27.984 27.740 0.074 0.000 2.639 233 C HN 0.548 nan 8.230 nan 0.000 0.592 234 R N 1.062 121.612 120.500 0.083 0.000 2.637 234 R HA 0.608 4.948 4.340 0.000 0.000 0.269 234 R C -0.161 176.263 176.300 0.207 0.000 1.089 234 R CA -0.305 55.889 56.100 0.157 0.000 1.177 234 R CB 0.455 30.815 30.300 0.100 0.000 1.091 234 R HN 0.718 nan 8.270 nan 0.000 0.540 235 V N -2.800 117.247 119.914 0.221 0.000 3.130 235 V HA 0.970 5.090 4.120 0.000 0.000 0.310 235 V C -1.002 175.094 176.094 0.004 0.000 1.158 235 V CA -0.977 61.393 62.300 0.117 0.000 1.029 235 V CB 1.972 33.841 31.823 0.078 0.000 1.057 235 V HN 0.924 nan 8.190 nan 0.000 0.436 236 A N 1.025 123.779 122.820 -0.111 0.000 2.572 236 A HA 0.816 5.136 4.320 0.000 0.000 0.295 236 A C -0.023 177.368 177.584 -0.322 0.000 1.072 236 A CA -0.227 51.629 52.037 -0.302 0.000 0.691 236 A CB 1.271 19.913 19.000 -0.597 0.000 1.291 236 A HN 1.724 nan 8.150 nan 0.000 0.404 237 N N -0.827 117.728 118.700 -0.241 0.000 2.725 237 N HA -0.142 4.598 4.740 0.000 0.000 0.249 237 N C 0.268 175.764 175.510 -0.023 0.000 1.103 237 N CA 1.143 54.172 53.050 -0.034 0.000 0.707 237 N CB -1.400 37.112 38.487 0.042 0.000 1.043 237 N HN 0.620 nan 8.380 nan 0.000 0.553 238 L N 0.379 121.524 121.223 -0.130 0.000 2.650 238 L HA -0.029 4.311 4.340 0.000 0.000 0.235 238 L C 2.053 178.835 176.870 -0.147 0.000 1.149 238 L CA 0.493 55.269 54.840 -0.106 0.000 0.887 238 L CB -0.059 41.924 42.059 -0.127 0.000 1.021 238 L HN 0.272 nan 8.230 nan 0.000 0.441 239 E N -0.093 119.909 120.200 -0.330 0.000 2.478 239 E HA -0.109 4.241 4.350 0.000 0.000 0.194 239 E C 0.121 176.534 176.600 -0.311 0.000 1.045 239 E CA 0.198 56.365 56.400 -0.387 0.000 0.868 239 E CB -0.024 29.243 29.700 -0.722 0.000 0.885 239 E HN 0.306 nan 8.360 nan 0.000 0.505 240 F N 2.397 122.363 119.950 0.027 0.000 2.509 240 F HA 0.340 4.867 4.527 0.000 0.000 0.344 240 F C -0.331 175.490 175.800 0.035 0.000 1.197 240 F CA -0.833 57.206 58.000 0.064 0.000 1.294 240 F CB -0.239 38.805 39.000 0.073 0.000 1.643 240 F HN -0.198 nan 8.300 nan 0.000 0.596 241 N N 1.350 120.126 118.700 0.127 0.000 2.421 241 N HA 0.270 5.010 4.740 0.000 0.000 0.285 241 N C -0.697 174.653 175.510 -0.267 0.000 1.027 241 N CA -0.768 52.249 53.050 -0.054 0.000 0.918 241 N CB 1.203 39.650 38.487 -0.066 0.000 1.152 241 N HN 0.447 nan 8.380 nan 0.000 0.485 242 Q N 2.069 121.771 119.800 -0.164 0.000 2.256 242 Q HA 0.356 4.696 4.340 0.000 0.000 0.254 242 Q C -1.361 174.489 176.000 -0.249 0.000 0.916 242 Q CA -0.479 55.256 55.803 -0.114 0.000 0.932 242 Q CB 0.608 29.414 28.738 0.115 0.000 1.207 242 Q HN 0.485 nan 8.270 nan 0.000 0.426 243 F N 3.185 123.189 119.950 0.091 0.000 2.332 243 F HA 0.211 4.738 4.527 -0.000 0.000 0.368 243 F C 0.437 176.289 175.800 0.086 0.000 1.110 243 F CA -0.813 57.247 58.000 0.100 0.000 1.087 243 F CB 0.751 39.762 39.000 0.018 0.000 1.235 243 F HN 0.543 nan 8.300 nan 0.000 0.470 244 H N 6.224 125.382 119.070 0.146 0.000 2.964 244 H HA 0.049 4.605 4.556 -0.000 0.000 0.328 244 H C -1.618 173.717 175.328 0.012 0.000 1.030 244 H CA -1.325 54.696 56.048 -0.045 0.000 1.445 244 H CB 1.683 31.247 29.762 -0.330 0.000 1.449 244 H HN 0.336 nan 8.280 nan 0.000 0.581 245 P HA -0.058 nan 4.420 nan 0.000 0.225 245 P C 0.228 177.624 177.300 0.160 0.000 1.156 245 P CA 0.790 63.938 63.100 0.079 0.000 0.787 245 P CB 0.277 31.965 31.700 -0.019 0.000 0.802 246 T N -2.219 112.520 114.554 0.308 0.000 3.155 246 T HA 0.739 5.089 4.350 0.000 0.000 0.384 246 T C -0.273 174.443 174.700 0.027 0.000 1.351 246 T CA -0.818 61.364 62.100 0.135 0.000 1.198 246 T CB 0.509 69.435 68.868 0.097 0.000 1.106 246 T HN 0.070 nan 8.240 nan 0.000 0.564 247 A N 3.565 126.403 122.820 0.029 0.000 2.340 247 A HA 0.764 5.084 4.320 0.000 0.000 0.331 247 A C -0.053 177.560 177.584 0.049 0.000 1.140 247 A CA -1.003 51.031 52.037 -0.005 0.000 0.801 247 A CB 0.908 19.920 19.000 0.020 0.000 1.234 247 A HN 0.833 nan 8.150 nan 0.000 0.469 248 L N 2.014 123.289 121.223 0.085 0.000 2.615 248 L HA 0.049 4.389 4.340 0.000 0.000 0.271 248 L C -0.433 176.520 176.870 0.139 0.000 1.183 248 L CA 0.725 55.643 54.840 0.130 0.000 0.933 248 L CB -0.593 41.574 42.059 0.179 0.000 1.199 248 L HN 0.583 nan 8.230 nan 0.000 0.487 249 Y N 5.896 126.187 120.300 -0.014 0.000 2.802 249 Y HA 0.346 4.896 4.550 -0.000 0.000 0.330 249 Y C -0.681 175.232 175.900 0.021 0.000 1.193 249 Y CA -0.365 57.708 58.100 -0.046 0.000 1.427 249 Y CB -0.203 38.173 38.460 -0.139 0.000 1.357 249 Y HN 0.789 nan 8.280 nan 0.000 0.501 250 H N 5.377 124.307 119.070 -0.232 0.000 2.759 250 H HA 0.355 4.911 4.556 0.000 0.000 0.354 250 H C -2.268 172.915 175.328 -0.243 0.000 1.074 250 H CA -2.530 53.388 56.048 -0.217 0.000 1.226 250 H CB 2.492 32.208 29.762 -0.076 0.000 1.648 250 H HN 0.239 nan 8.280 nan 0.000 0.529 251 P HA -0.165 nan 4.420 nan 0.000 0.218 251 P C 0.429 177.803 177.300 0.123 0.000 1.146 251 P CA 1.369 64.399 63.100 -0.117 0.000 0.813 251 P CB 0.244 31.821 31.700 -0.204 0.000 0.778 252 Q N -1.406 118.695 119.800 0.503 0.000 2.246 252 Q HA 0.280 4.620 4.340 0.000 0.000 0.202 252 Q C 0.429 176.431 176.000 0.004 0.000 0.883 252 Q CA -0.325 55.570 55.803 0.154 0.000 0.952 252 Q CB 0.127 28.897 28.738 0.052 0.000 1.078 252 Q HN 0.074 nan 8.270 nan 0.000 0.493 253 A N 0.941 123.802 122.820 0.069 0.000 2.915 253 A HA 0.137 4.457 4.320 0.000 0.000 0.292 253 A C 0.675 178.285 177.584 0.044 0.000 1.632 253 A CA -0.227 51.822 52.037 0.020 0.000 1.337 253 A CB -0.081 18.962 19.000 0.071 0.000 1.111 253 A HN 0.335 nan 8.150 nan 0.000 0.569 254 R N 1.207 121.724 120.500 0.028 0.000 2.154 254 R HA -0.172 4.168 4.340 0.000 0.000 0.236 254 R C -0.363 175.982 176.300 0.075 0.000 1.121 254 R CA 1.909 58.036 56.100 0.045 0.000 0.915 254 R CB -0.100 30.219 30.300 0.033 0.000 0.856 254 R HN 0.781 nan 8.270 nan 0.000 0.431 255 N N -1.527 117.236 118.700 0.106 0.000 2.875 255 N HA 0.140 4.880 4.740 0.000 0.000 0.253 255 N C -1.845 173.779 175.510 0.192 0.000 1.296 255 N CA -0.294 52.826 53.050 0.117 0.000 0.816 255 N CB 0.841 39.374 38.487 0.077 0.000 1.504 255 N HN -0.007 nan 8.380 nan 0.000 0.582 256 F N 1.319 121.264 119.950 -0.008 0.000 2.563 256 F HA 0.683 5.210 4.527 -0.000 0.000 0.316 256 F C -1.098 174.682 175.800 -0.033 0.000 1.076 256 F CA -1.172 56.819 58.000 -0.016 0.000 0.921 256 F CB 1.575 40.565 39.000 -0.017 0.000 1.209 256 F HN 0.310 nan 8.300 nan 0.000 0.462 257 L N 5.991 126.733 121.223 -0.802 0.000 2.322 257 L HA 0.629 4.969 4.340 0.000 0.000 0.281 257 L C -1.723 174.769 176.870 -0.629 0.000 1.014 257 L CA -0.410 54.073 54.840 -0.595 0.000 0.815 257 L CB 1.348 43.068 42.059 -0.565 0.000 1.247 257 L HN 0.550 nan 8.230 nan 0.000 0.421 258 L N 4.728 125.759 121.223 -0.320 0.000 2.260 258 L HA 0.332 4.672 4.340 0.000 0.000 0.289 258 L C 0.884 177.606 176.870 -0.246 0.000 1.057 258 L CA -0.368 54.346 54.840 -0.209 0.000 0.811 258 L CB 0.968 42.982 42.059 -0.075 0.000 1.184 258 L HN 0.717 nan 8.230 nan 0.000 0.429 259 T N 1.117 115.522 114.554 -0.248 0.000 2.906 259 T HA -0.126 4.224 4.350 0.000 0.000 0.329 259 T C 1.191 175.846 174.700 -0.076 0.000 1.091 259 T CA 0.359 62.360 62.100 -0.165 0.000 1.127 259 T CB 0.535 69.332 68.868 -0.118 0.000 1.035 259 T HN 0.818 nan 8.240 nan 0.000 0.547 260 E N 1.940 122.158 120.200 0.030 0.000 2.285 260 E HA 0.013 4.363 4.350 0.000 0.000 0.194 260 E C 2.241 178.829 176.600 -0.021 0.000 0.997 260 E CA 0.653 57.069 56.400 0.027 0.000 0.845 260 E CB -0.274 29.430 29.700 0.006 0.000 0.782 260 E HN 0.784 nan 8.360 nan 0.000 0.491 261 A N 1.060 123.865 122.820 -0.026 0.000 1.958 261 A HA -0.235 4.085 4.320 0.000 0.000 0.221 261 A C 2.069 179.694 177.584 0.069 0.000 1.178 261 A CA 1.207 53.257 52.037 0.021 0.000 0.642 261 A CB -0.726 18.334 19.000 0.101 0.000 0.816 261 A HN 0.312 nan 8.150 nan 0.000 0.453 262 L N -1.213 119.923 121.223 -0.144 0.000 2.021 262 L HA -0.283 4.057 4.340 0.000 0.000 0.215 262 L C 2.906 179.786 176.870 0.017 0.000 1.074 262 L CA 2.049 56.773 54.840 -0.194 0.000 0.760 262 L CB -0.446 41.418 42.059 -0.324 0.000 0.889 262 L HN 0.387 nan 8.230 nan 0.000 0.433 263 R N -0.588 119.920 120.500 0.014 0.000 2.148 263 R HA -0.091 4.249 4.340 0.000 0.000 0.227 263 R C 2.302 178.644 176.300 0.070 0.000 1.103 263 R CA 1.000 57.133 56.100 0.055 0.000 0.983 263 R CB -0.571 29.753 30.300 0.039 0.000 0.874 263 R HN 0.469 nan 8.270 nan 0.000 0.451 264 G N 0.966 109.798 108.800 0.054 0.000 2.422 264 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 264 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 264 G C 0.988 175.946 174.900 0.097 0.000 1.140 264 G CA 0.372 45.499 45.100 0.045 0.000 0.775 264 G HN 0.217 nan 8.290 nan 0.000 0.545 265 E N 0.327 120.632 120.200 0.175 0.000 2.423 265 E HA 0.293 4.643 4.350 0.000 0.000 0.198 265 E C 1.358 178.102 176.600 0.240 0.000 1.038 265 E CA 0.381 56.937 56.400 0.261 0.000 1.011 265 E CB 0.268 30.222 29.700 0.424 0.000 1.118 265 E HN 0.428 nan 8.360 nan 0.000 0.451 266 G N 0.827 109.723 108.800 0.161 0.000 2.211 266 G HA2 -0.232 3.728 3.960 0.000 0.000 0.201 266 G HA3 -0.232 3.728 3.960 0.000 0.000 0.201 266 G C 0.594 175.542 174.900 0.079 0.000 0.997 266 G CA -0.176 45.006 45.100 0.136 0.000 0.652 266 G HN 0.487 nan 8.290 nan 0.000 0.500 267 A N -0.104 122.759 122.820 0.072 0.000 2.466 267 A HA 0.592 4.912 4.320 0.000 0.000 0.238 267 A C -0.145 177.551 177.584 0.187 0.000 1.074 267 A CA 0.483 52.540 52.037 0.032 0.000 0.774 267 A CB 0.201 19.219 19.000 0.030 0.000 1.015 267 A HN 0.757 nan 8.150 nan 0.000 0.498 268 Y N -0.326 120.116 120.300 0.237 0.000 2.509 268 Y HA 0.533 5.083 4.550 -0.000 0.000 0.341 268 Y C 0.004 175.977 175.900 0.121 0.000 1.038 268 Y CA -1.311 56.882 58.100 0.156 0.000 1.089 268 Y CB 1.631 40.211 38.460 0.200 0.000 1.241 268 Y HN 0.496 nan 8.280 nan 0.000 0.468 269 L N 3.927 125.270 121.223 0.198 0.000 2.276 269 L HA 0.455 4.795 4.340 0.000 0.000 0.286 269 L C -0.516 176.533 176.870 0.297 0.000 1.024 269 L CA -0.416 54.521 54.840 0.162 0.000 0.826 269 L CB 0.596 42.549 42.059 -0.178 0.000 1.211 269 L HN 0.535 nan 8.230 nan 0.000 0.422 270 K N 3.715 124.457 120.400 0.570 0.000 2.267 270 K HA 0.599 4.919 4.320 0.000 0.000 0.246 270 K C -0.575 176.363 176.600 0.564 0.000 0.954 270 K CA -1.035 55.580 56.287 0.547 0.000 0.824 270 K CB 2.315 35.010 32.500 0.324 0.000 1.167 270 K HN 0.435 nan 8.250 nan 0.000 0.431 271 R N 1.076 121.806 120.500 0.383 0.000 2.707 271 R HA 0.057 4.397 4.340 0.000 0.000 0.270 271 R C -1.638 174.790 176.300 0.213 0.000 1.083 271 R CA -1.555 54.639 56.100 0.156 0.000 1.182 271 R CB -0.034 30.323 30.300 0.094 0.000 1.084 271 R HN 0.346 nan 8.270 nan 0.000 0.528 272 P HA -0.195 nan 4.420 nan 0.000 0.217 272 P C 0.268 177.561 177.300 -0.012 0.000 1.148 272 P CA 1.406 64.633 63.100 0.211 0.000 0.828 272 P CB 0.040 31.853 31.700 0.188 0.000 0.783 273 D N -2.115 118.297 120.400 0.019 0.000 2.328 273 D HA 0.100 4.740 4.640 0.000 0.000 0.226 273 D C 1.451 177.752 176.300 0.002 0.000 1.066 273 D CA 0.514 54.513 54.000 -0.001 0.000 0.861 273 D CB -0.707 40.102 40.800 0.015 0.000 0.912 273 D HN 0.244 nan 8.370 nan 0.000 0.521 274 G N -0.003 108.804 108.800 0.012 0.000 2.284 274 G HA2 -0.281 3.679 3.960 0.000 0.000 0.230 274 G HA3 -0.281 3.679 3.960 0.000 0.000 0.230 274 G C 0.595 175.538 174.900 0.071 0.000 1.021 274 G CA 0.300 45.417 45.100 0.028 0.000 0.619 274 G HN 0.812 nan 8.290 nan 0.000 0.510 275 T N 0.077 114.680 114.554 0.082 0.000 2.900 275 T HA 0.545 4.895 4.350 0.000 0.000 0.307 275 T C 0.386 175.181 174.700 0.158 0.000 1.065 275 T CA -0.061 62.092 62.100 0.088 0.000 1.105 275 T CB 1.189 70.109 68.868 0.088 0.000 0.979 275 T HN 0.462 nan 8.240 nan 0.000 0.544 276 R N 2.097 122.642 120.500 0.074 0.000 2.221 276 R HA 0.284 4.624 4.340 0.000 0.000 0.327 276 R C 0.574 176.921 176.300 0.079 0.000 1.033 276 R CA -0.359 55.759 56.100 0.031 0.000 0.887 276 R CB 0.584 30.788 30.300 -0.159 0.000 1.057 276 R HN 0.902 nan 8.270 nan 0.000 0.455 277 F N 0.115 120.111 119.950 0.077 0.000 2.619 277 F HA 0.096 4.623 4.527 0.000 0.000 0.293 277 F C 1.673 177.590 175.800 0.196 0.000 1.119 277 F CA -0.269 57.811 58.000 0.134 0.000 1.445 277 F CB -0.106 39.013 39.000 0.199 0.000 1.119 277 F HN 0.215 nan 8.300 nan 0.000 0.573 278 M N 1.833 121.185 119.600 -0.415 0.000 2.144 278 M HA -0.075 4.405 4.480 0.000 0.000 0.260 278 M C -0.785 175.542 176.300 0.044 0.000 1.067 278 M CA 1.380 56.588 55.300 -0.153 0.000 1.095 278 M CB -2.354 30.087 32.600 -0.264 0.000 1.365 278 M HN 0.080 nan 8.290 nan 0.000 0.406 279 P HA -0.065 nan 4.420 nan 0.000 0.233 279 P C 0.642 177.916 177.300 -0.042 0.000 1.167 279 P CA 0.893 63.976 63.100 -0.027 0.000 0.770 279 P CB -0.030 31.637 31.700 -0.055 0.000 0.837 280 D N -1.904 118.458 120.400 -0.063 0.000 2.317 280 D HA 0.003 4.643 4.640 0.000 0.000 0.211 280 D C 1.169 177.218 176.300 -0.419 0.000 0.966 280 D CA 1.040 54.889 54.000 -0.251 0.000 0.876 280 D CB -0.134 40.464 40.800 -0.337 0.000 0.927 280 D HN 0.256 nan 8.370 nan 0.000 0.519 281 F N -0.364 119.575 119.950 -0.018 0.000 2.592 281 F HA 0.190 4.717 4.527 -0.000 0.000 0.280 281 F C 0.727 176.505 175.800 -0.038 0.000 1.083 281 F CA -0.106 57.874 58.000 -0.034 0.000 1.365 281 F CB 1.225 40.210 39.000 -0.025 0.000 1.100 281 F HN -0.303 nan 8.300 nan 0.000 0.633 282 D N -0.166 120.314 120.400 0.133 0.000 2.804 282 D HA 0.060 4.700 4.640 0.000 0.000 0.209 282 D C 0.170 176.483 176.300 0.021 0.000 1.314 282 D CA 0.041 54.079 54.000 0.064 0.000 0.894 282 D CB 1.448 42.285 40.800 0.062 0.000 1.615 282 D HN 0.278 nan 8.370 nan 0.000 0.571 283 E N 2.254 122.458 120.200 0.006 0.000 2.208 283 E HA -0.242 4.108 4.350 0.000 0.000 0.202 283 E C 1.301 177.895 176.600 -0.011 0.000 1.014 283 E CA 1.251 57.647 56.400 -0.008 0.000 0.819 283 E CB -0.101 29.595 29.700 -0.007 0.000 0.735 283 E HN 0.332 nan 8.360 nan 0.000 0.469 284 R N 1.057 121.554 120.500 -0.005 0.000 2.339 284 R HA 0.051 4.391 4.340 0.000 0.000 0.199 284 R C 1.542 177.832 176.300 -0.017 0.000 1.018 284 R CA 0.306 56.401 56.100 -0.009 0.000 1.036 284 R CB -0.551 29.746 30.300 -0.005 0.000 0.899 284 R HN 0.340 nan 8.270 nan 0.000 0.473 285 G N 1.894 110.679 108.800 -0.025 0.000 2.648 285 G HA2 -0.442 3.518 3.960 0.000 0.000 0.357 285 G HA3 -0.442 3.518 3.960 0.000 0.000 0.357 285 G C 0.695 175.558 174.900 -0.062 0.000 1.342 285 G CA 1.018 46.086 45.100 -0.054 0.000 0.978 285 G HN 0.344 nan 8.290 nan 0.000 0.532 286 E N -0.612 119.551 120.200 -0.061 0.000 2.233 286 E HA -0.053 4.297 4.350 0.000 0.000 0.199 286 E C 1.999 178.587 176.600 -0.019 0.000 1.004 286 E CA 0.950 57.326 56.400 -0.039 0.000 0.819 286 E CB -0.102 29.620 29.700 0.036 0.000 0.738 286 E HN 0.220 nan 8.360 nan 0.000 0.478 287 L N -0.515 120.702 121.223 -0.011 0.000 2.928 287 L HA 0.396 4.736 4.340 0.000 0.000 0.246 287 L C 0.260 177.125 176.870 -0.008 0.000 1.239 287 L CA -0.394 54.444 54.840 -0.004 0.000 1.035 287 L CB -0.888 41.177 42.059 0.009 0.000 1.360 287 L HN -0.070 nan 8.230 nan 0.000 0.529 288 A N 0.342 123.150 122.820 -0.020 0.000 2.280 288 A HA 0.643 4.963 4.320 0.000 0.000 0.268 288 A C -2.169 175.402 177.584 -0.023 0.000 1.111 288 A CA -0.739 51.288 52.037 -0.016 0.000 0.814 288 A CB -0.286 18.704 19.000 -0.017 0.000 1.093 288 A HN 0.133 nan 8.150 nan 0.000 0.498 289 P HA 0.310 nan 4.420 nan 0.000 0.276 289 P C 0.302 177.578 177.300 -0.040 0.000 1.261 289 P CA -0.487 62.599 63.100 -0.023 0.000 0.800 289 P CB 0.531 32.227 31.700 -0.008 0.000 1.066 290 R N 0.732 121.200 120.500 -0.053 0.000 2.090 290 R HA -0.104 4.236 4.340 0.000 0.000 0.228 290 R C 1.632 177.917 176.300 -0.024 0.000 1.110 290 R CA 1.631 57.688 56.100 -0.070 0.000 0.973 290 R CB -0.769 29.462 30.300 -0.115 0.000 0.869 290 R HN 0.619 nan 8.270 nan 0.000 0.440 291 D N 1.337 121.745 120.400 0.013 0.000 2.123 291 D HA -0.201 4.439 4.640 0.000 0.000 0.196 291 D C 1.859 178.140 176.300 -0.032 0.000 0.992 291 D CA 1.271 55.292 54.000 0.036 0.000 0.833 291 D CB -0.426 40.425 40.800 0.086 0.000 0.954 291 D HN 0.273 nan 8.370 nan 0.000 0.455 292 I N 0.511 121.058 120.570 -0.038 0.000 2.252 292 I HA -0.223 3.947 4.170 0.000 0.000 0.245 292 I C 2.728 178.762 176.117 -0.139 0.000 1.102 292 I CA 0.609 61.861 61.300 -0.079 0.000 1.385 292 I CB -0.109 37.871 38.000 -0.032 0.000 1.064 292 I HN -0.094 nan 8.210 nan 0.000 0.414 293 V N 1.011 120.864 119.914 -0.102 0.000 2.261 293 V HA -0.308 3.812 4.120 0.000 0.000 0.246 293 V C 2.753 178.780 176.094 -0.112 0.000 1.047 293 V CA 2.060 64.295 62.300 -0.107 0.000 1.015 293 V CB -1.059 30.720 31.823 -0.072 0.000 0.642 293 V HN 0.499 nan 8.190 nan 0.000 0.446 294 A N -0.380 122.389 122.820 -0.085 0.000 1.917 294 A HA -0.286 4.034 4.320 0.000 0.000 0.219 294 A C 2.386 179.870 177.584 -0.166 0.000 1.182 294 A CA 2.120 54.113 52.037 -0.073 0.000 0.633 294 A CB -0.595 18.405 19.000 0.000 0.000 0.819 294 A HN 0.481 nan 8.150 nan 0.000 0.448 295 R N -0.947 119.416 120.500 -0.227 0.000 2.096 295 R HA -0.092 4.248 4.340 0.000 0.000 0.235 295 R C 2.481 178.539 176.300 -0.403 0.000 1.127 295 R CA 1.180 57.078 56.100 -0.337 0.000 0.968 295 R CB -0.378 29.671 30.300 -0.420 0.000 0.861 295 R HN 0.554 nan 8.270 nan 0.000 0.440 296 A N 1.025 123.532 122.820 -0.522 0.000 1.872 296 A HA -0.105 4.215 4.320 0.000 0.000 0.214 296 A C 2.104 179.450 177.584 -0.396 0.000 1.187 296 A CA 0.987 52.465 52.037 -0.932 0.000 0.614 296 A CB -0.400 17.927 19.000 -1.122 0.000 0.826 296 A HN 0.170 nan 8.150 nan 0.000 0.442 297 I N -0.050 120.423 120.570 -0.162 0.000 2.208 297 I HA -0.283 3.887 4.170 0.000 0.000 0.245 297 I C 2.275 178.279 176.117 -0.188 0.000 1.097 297 I CA 2.013 63.231 61.300 -0.137 0.000 1.363 297 I CB -0.394 37.576 38.000 -0.051 0.000 1.051 297 I HN 0.501 nan 8.210 nan 0.000 0.413 298 D N 0.014 120.305 120.400 -0.181 0.000 2.097 298 D HA -0.296 4.344 4.640 0.000 0.000 0.195 298 D C 2.166 178.386 176.300 -0.134 0.000 0.989 298 D CA 1.508 55.404 54.000 -0.173 0.000 0.827 298 D CB -0.020 40.648 40.800 -0.220 0.000 0.966 298 D HN 0.353 nan 8.370 nan 0.000 0.456 299 H N 0.096 119.035 119.070 -0.219 0.000 2.319 299 H HA -0.109 4.447 4.556 0.000 0.000 0.297 299 H C 1.837 177.130 175.328 -0.058 0.000 1.097 299 H CA 2.080 58.059 56.048 -0.114 0.000 1.285 299 H CB 0.124 29.843 29.762 -0.072 0.000 1.368 299 H HN 0.146 nan 8.280 nan 0.000 0.495 300 E N -0.145 120.042 120.200 -0.021 0.000 2.107 300 E HA -0.123 4.227 4.350 0.000 0.000 0.191 300 E C 2.407 178.908 176.600 -0.165 0.000 0.982 300 E CA 0.896 57.251 56.400 -0.075 0.000 0.809 300 E CB -0.164 29.445 29.700 -0.151 0.000 0.756 300 E HN 0.612 nan 8.360 nan 0.000 0.459 301 M N 0.574 120.057 119.600 -0.194 0.000 2.108 301 M HA -0.203 4.277 4.480 0.000 0.000 0.261 301 M C 2.231 178.440 176.300 -0.152 0.000 1.066 301 M CA 1.614 56.803 55.300 -0.186 0.000 1.107 301 M CB -0.202 32.282 32.600 -0.194 0.000 1.356 301 M HN -0.067 nan 8.290 nan 0.000 0.406 302 K N -0.220 120.085 120.400 -0.158 0.000 1.984 302 K HA -0.145 4.175 4.320 0.000 0.000 0.209 302 K C 2.082 178.591 176.600 -0.153 0.000 1.046 302 K CA 1.374 57.573 56.287 -0.146 0.000 0.934 302 K CB -0.275 32.128 32.500 -0.161 0.000 0.717 302 K HN 0.190 nan 8.250 nan 0.000 0.438 303 R N 1.011 121.383 120.500 -0.213 0.000 2.103 303 R HA -0.138 4.202 4.340 0.000 0.000 0.242 303 R C 1.895 178.135 176.300 -0.100 0.000 1.142 303 R CA 1.481 57.479 56.100 -0.170 0.000 0.960 303 R CB -0.209 29.973 30.300 -0.196 0.000 0.858 303 R HN 0.160 nan 8.270 nan 0.000 0.439 304 L N -0.311 120.855 121.223 -0.095 0.000 2.492 304 L HA 0.195 4.535 4.340 0.000 0.000 0.223 304 L C 0.966 177.796 176.870 -0.067 0.000 1.132 304 L CA 0.443 55.241 54.840 -0.069 0.000 0.850 304 L CB 0.119 42.136 42.059 -0.070 0.000 0.966 304 L HN 0.564 nan 8.230 nan 0.000 0.454 305 G N 1.057 109.809 108.800 -0.080 0.000 2.333 305 G HA2 -0.158 3.802 3.960 0.000 0.000 0.296 305 G HA3 -0.158 3.802 3.960 0.000 0.000 0.296 305 G C 0.045 174.899 174.900 -0.078 0.000 1.059 305 G CA 0.214 45.273 45.100 -0.069 0.000 1.050 305 G HN 0.496 nan 8.290 nan 0.000 0.508 306 A N -0.472 122.282 122.820 -0.110 0.000 2.350 306 A HA 0.740 5.060 4.320 0.000 0.000 0.324 306 A C 0.887 178.345 177.584 -0.209 0.000 1.118 306 A CA 0.086 52.044 52.037 -0.131 0.000 0.783 306 A CB 0.953 19.878 19.000 -0.125 0.000 1.236 306 A HN 0.095 nan 8.150 nan 0.000 0.457 307 D N -0.067 120.182 120.400 -0.252 0.000 2.309 307 D HA 0.023 4.663 4.640 0.000 0.000 0.212 307 D C 0.806 176.652 176.300 -0.755 0.000 0.968 307 D CA 1.934 55.654 54.000 -0.466 0.000 0.882 307 D CB -0.407 40.109 40.800 -0.473 0.000 0.918 307 D HN 0.844 nan 8.370 nan 0.000 0.503 308 C N -3.645 115.328 119.300 -0.544 0.000 3.241 308 C HA 0.623 5.083 4.460 0.000 0.000 0.354 308 C C -1.216 173.468 174.990 -0.510 0.000 1.462 308 C CA -1.146 57.505 59.018 -0.612 0.000 1.169 308 C CB 0.875 28.092 27.740 -0.870 0.000 1.618 308 C HN -0.075 nan 8.230 nan 0.000 0.429 309 M N 0.102 119.343 119.600 -0.597 0.000 2.846 309 M HA 0.780 5.260 4.480 0.000 0.000 0.282 309 M C -1.425 174.487 176.300 -0.647 0.000 1.266 309 M CA -0.246 54.800 55.300 -0.425 0.000 0.766 309 M CB 1.429 33.874 32.600 -0.259 0.000 1.739 309 M HN 0.838 nan 8.290 nan 0.000 0.442 310 F N 0.479 120.498 119.950 0.114 0.000 2.599 310 F HA 0.670 5.197 4.527 -0.000 0.000 0.311 310 F C -0.788 175.120 175.800 0.181 0.000 1.076 310 F CA -0.879 57.202 58.000 0.134 0.000 0.937 310 F CB 1.681 40.754 39.000 0.120 0.000 1.282 310 F HN 0.277 nan 8.300 nan 0.000 0.460 311 L N 2.568 123.986 121.223 0.325 0.000 2.319 311 L HA 0.554 4.894 4.340 0.000 0.000 0.281 311 L C -1.351 175.648 176.870 0.215 0.000 1.005 311 L CA -0.077 54.902 54.840 0.231 0.000 0.828 311 L CB 0.936 43.076 42.059 0.135 0.000 1.227 311 L HN 0.478 nan 8.230 nan 0.000 0.415 312 D N 4.323 124.854 120.400 0.219 0.000 2.593 312 D HA 0.413 5.053 4.640 0.000 0.000 0.251 312 D C -0.137 176.141 176.300 -0.037 0.000 1.140 312 D CA -0.252 53.837 54.000 0.149 0.000 0.855 312 D CB 1.415 42.367 40.800 0.253 0.000 1.267 312 D HN 0.397 nan 8.370 nan 0.000 0.532 313 I N 1.403 121.859 120.570 -0.190 0.000 3.856 313 I HA 0.214 4.384 4.170 0.000 0.000 0.330 313 I C 1.803 177.600 176.117 -0.533 0.000 1.546 313 I CA -0.350 60.648 61.300 -0.503 0.000 1.132 313 I CB -0.133 37.764 38.000 -0.172 0.000 1.157 313 I HN 0.083 nan 8.210 nan 0.000 0.440 314 S N 1.620 117.120 115.700 -0.333 0.000 2.359 314 S HA -0.245 4.225 4.470 0.000 0.000 0.224 314 S C 1.821 176.331 174.600 -0.151 0.000 1.035 314 S CA 2.232 60.346 58.200 -0.143 0.000 1.018 314 S CB -0.603 62.598 63.200 0.000 0.000 0.876 314 S HN 0.833 nan 8.310 nan 0.000 0.448 315 H N 0.474 119.542 119.070 -0.003 0.000 2.554 315 H HA 0.144 4.700 4.556 -0.000 0.000 0.292 315 H C 0.490 175.810 175.328 -0.014 0.000 1.066 315 H CA 0.670 56.721 56.048 0.005 0.000 1.206 315 H CB -0.292 29.477 29.762 0.011 0.000 1.351 315 H HN 0.133 nan 8.280 nan 0.000 0.598 316 K N 0.812 121.138 120.400 -0.123 0.000 2.281 316 K HA 0.300 4.620 4.320 0.000 0.000 0.242 316 K C -2.796 173.817 176.600 0.020 0.000 0.971 316 K CA -2.315 53.954 56.287 -0.030 0.000 0.834 316 K CB 1.510 33.996 32.500 -0.023 0.000 1.181 316 K HN -0.032 nan 8.250 nan 0.000 0.435 317 P HA -0.003 nan 4.420 nan 0.000 0.264 317 P C 0.215 177.560 177.300 0.074 0.000 1.229 317 P CA 0.270 63.403 63.100 0.055 0.000 0.780 317 P CB 0.526 32.258 31.700 0.054 0.000 0.808 318 A N 4.090 126.925 122.820 0.025 0.000 1.957 318 A HA -0.347 3.973 4.320 0.000 0.000 0.224 318 A C 1.854 179.406 177.584 -0.054 0.000 1.287 318 A CA 2.647 54.673 52.037 -0.019 0.000 0.682 318 A CB -1.452 17.534 19.000 -0.024 0.000 0.833 318 A HN 0.438 nan 8.150 nan 0.000 0.482 319 D N -2.200 118.187 120.400 -0.021 0.000 2.117 319 D HA -0.029 4.611 4.640 0.000 0.000 0.198 319 D C 1.553 177.821 176.300 -0.052 0.000 0.982 319 D CA 1.252 55.219 54.000 -0.054 0.000 0.828 319 D CB -0.241 40.541 40.800 -0.029 0.000 0.967 319 D HN 0.474 nan 8.370 nan 0.000 0.464 320 F N 1.429 121.310 119.950 -0.115 0.000 2.025 320 F HA -0.208 4.319 4.527 0.000 0.000 0.297 320 F C 1.961 177.680 175.800 -0.134 0.000 1.132 320 F CA 1.454 59.385 58.000 -0.115 0.000 1.191 320 F CB -0.601 38.389 39.000 -0.017 0.000 0.963 320 F HN -0.081 nan 8.300 nan 0.000 0.481 321 I N 0.819 121.379 120.570 -0.017 0.000 2.091 321 I HA -0.420 3.750 4.170 0.000 0.000 0.240 321 I C 2.742 178.735 176.117 -0.206 0.000 1.046 321 I CA 2.179 63.436 61.300 -0.072 0.000 1.306 321 I CB -0.883 37.151 38.000 0.057 0.000 1.018 321 I HN 0.240 nan 8.210 nan 0.000 0.404 322 R N 1.008 121.329 120.500 -0.299 0.000 2.193 322 R HA -0.183 4.157 4.340 0.000 0.000 0.229 322 R C 1.841 177.962 176.300 -0.298 0.000 1.110 322 R CA 1.429 57.285 56.100 -0.407 0.000 0.988 322 R CB -0.205 29.725 30.300 -0.616 0.000 0.871 322 R HN 0.474 nan 8.270 nan 0.000 0.458 323 Q N -0.549 119.029 119.800 -0.371 0.000 2.302 323 Q HA -0.016 4.324 4.340 0.000 0.000 0.202 323 Q C 1.235 176.898 176.000 -0.563 0.000 0.936 323 Q CA 0.871 56.411 55.803 -0.438 0.000 0.886 323 Q CB 0.150 28.580 28.738 -0.513 0.000 0.986 323 Q HN 0.551 nan 8.270 nan 0.000 0.487 324 H N -1.884 116.822 119.070 -0.605 0.000 2.654 324 H HA 0.194 4.750 4.556 -0.000 0.000 0.264 324 H C -0.109 174.598 175.328 -1.035 0.000 0.954 324 H CA 0.173 55.690 56.048 -0.884 0.000 1.199 324 H CB 0.446 29.419 29.762 -1.314 0.000 1.446 324 H HN 0.072 nan 8.280 nan 0.000 0.516 325 F N 0.275 120.210 119.950 -0.025 0.000 2.577 325 F HA 0.267 4.794 4.527 0.000 0.000 0.342 325 F C -1.894 173.954 175.800 0.079 0.000 1.479 325 F CA -1.858 56.165 58.000 0.038 0.000 1.110 325 F CB 1.450 40.479 39.000 0.048 0.000 1.306 325 F HN -0.057 nan 8.300 nan 0.000 0.554 326 P HA -0.291 nan 4.420 nan 0.000 0.208 326 P C 2.140 179.574 177.300 0.223 0.000 1.189 326 P CA 1.746 64.939 63.100 0.155 0.000 0.931 326 P CB 0.017 31.755 31.700 0.063 0.000 0.783 327 M N -1.223 118.484 119.600 0.178 0.000 2.089 327 M HA -0.198 4.282 4.480 0.000 0.000 0.257 327 M C 1.883 178.308 176.300 0.208 0.000 1.071 327 M CA 2.320 57.723 55.300 0.172 0.000 1.096 327 M CB -1.757 30.950 32.600 0.178 0.000 1.330 327 M HN -0.200 nan 8.290 nan 0.000 0.403 328 I N -0.959 119.779 120.570 0.279 0.000 2.394 328 I HA -0.187 3.983 4.170 0.000 0.000 0.251 328 I C 2.406 178.646 176.117 0.206 0.000 1.136 328 I CA 1.191 62.659 61.300 0.281 0.000 1.425 328 I CB -0.659 37.491 38.000 0.250 0.000 1.079 328 I HN 0.473 nan 8.210 nan 0.000 0.425 329 Y N 1.444 121.814 120.300 0.116 0.000 2.184 329 Y HA -0.240 4.310 4.550 0.000 0.000 0.290 329 Y C 2.524 178.445 175.900 0.034 0.000 1.129 329 Y CA 1.931 60.076 58.100 0.074 0.000 1.144 329 Y CB -0.369 38.137 38.460 0.077 0.000 0.995 329 Y HN 0.257 nan 8.280 nan 0.000 0.513 330 E N 0.508 120.690 120.200 -0.030 0.000 2.118 330 E HA -0.311 4.039 4.350 0.000 0.000 0.195 330 E C 2.011 178.494 176.600 -0.194 0.000 0.992 330 E CA 1.819 58.124 56.400 -0.157 0.000 0.804 330 E CB -0.240 29.452 29.700 -0.015 0.000 0.741 330 E HN 0.512 nan 8.360 nan 0.000 0.458 331 K N -0.076 120.239 120.400 -0.142 0.000 2.400 331 K HA 0.048 4.368 4.320 0.000 0.000 0.194 331 K C 1.789 178.249 176.600 -0.233 0.000 1.033 331 K CA 0.241 56.401 56.287 -0.211 0.000 1.021 331 K CB 0.176 32.490 32.500 -0.309 0.000 0.808 331 K HN 0.173 nan 8.250 nan 0.000 0.505 332 L N 0.468 121.589 121.223 -0.170 0.000 2.375 332 L HA 0.003 4.343 4.340 0.000 0.000 0.215 332 L C 1.770 178.548 176.870 -0.154 0.000 1.108 332 L CA -0.122 54.638 54.840 -0.133 0.000 0.830 332 L CB -0.130 41.910 42.059 -0.032 0.000 0.959 332 L HN 0.180 nan 8.230 nan 0.000 0.457 333 L N 0.369 121.455 121.223 -0.228 0.000 2.046 333 L HA -0.056 4.284 4.340 0.000 0.000 0.208 333 L C 2.470 179.241 176.870 -0.164 0.000 1.077 333 L CA 1.972 56.669 54.840 -0.238 0.000 0.747 333 L CB -1.445 40.378 42.059 -0.394 0.000 0.896 333 L HN 0.191 nan 8.230 nan 0.000 0.432 334 G N -1.211 107.488 108.800 -0.169 0.000 2.498 334 G HA2 -0.166 3.794 3.960 0.000 0.000 0.219 334 G HA3 -0.166 3.794 3.960 0.000 0.000 0.219 334 G C 1.277 176.097 174.900 -0.133 0.000 1.119 334 G CA 0.527 45.546 45.100 -0.136 0.000 0.766 334 G HN 0.429 nan 8.290 nan 0.000 0.552 335 L N 0.199 121.327 121.223 -0.157 0.000 2.818 335 L HA 0.362 4.702 4.340 0.000 0.000 0.243 335 L C 1.437 178.280 176.870 -0.046 0.000 1.185 335 L CA 0.000 54.742 54.840 -0.164 0.000 0.988 335 L CB -0.008 41.829 42.059 -0.370 0.000 1.292 335 L HN 0.165 nan 8.230 nan 0.000 0.519 336 G N 1.776 110.548 108.800 -0.048 0.000 2.359 336 G HA2 -0.263 3.697 3.960 0.000 0.000 0.298 336 G HA3 -0.263 3.697 3.960 0.000 0.000 0.298 336 G C -0.302 174.609 174.900 0.018 0.000 1.030 336 G CA 0.120 45.214 45.100 -0.010 0.000 1.149 336 G HN 0.356 nan 8.290 nan 0.000 0.512 337 I N -0.289 120.278 120.570 -0.005 0.000 2.656 337 I HA 0.312 4.482 4.170 0.000 0.000 0.292 337 I C -1.222 174.906 176.117 0.018 0.000 1.144 337 I CA -0.898 60.422 61.300 0.033 0.000 1.038 337 I CB 2.332 40.367 38.000 0.059 0.000 1.244 337 I HN 0.056 nan 8.210 nan 0.000 0.420 338 D N 5.260 125.697 120.400 0.062 0.000 2.472 338 D HA 0.217 4.857 4.640 0.000 0.000 0.234 338 D C 0.601 176.988 176.300 0.146 0.000 1.088 338 D CA -0.439 53.623 54.000 0.104 0.000 0.882 338 D CB 1.438 42.300 40.800 0.102 0.000 1.037 338 D HN 0.397 nan 8.370 nan 0.000 0.520 339 L N 3.027 124.365 121.223 0.191 0.000 2.263 339 L HA -0.115 4.225 4.340 0.000 0.000 0.216 339 L C 1.772 178.730 176.870 0.145 0.000 1.111 339 L CA 1.784 56.727 54.840 0.172 0.000 0.773 339 L CB -0.364 41.828 42.059 0.221 0.000 0.906 339 L HN 0.337 nan 8.230 nan 0.000 0.439 340 T N -1.497 113.169 114.554 0.187 0.000 2.995 340 T HA -0.085 4.265 4.350 0.000 0.000 0.269 340 T C 1.493 176.239 174.700 0.075 0.000 1.091 340 T CA 1.355 63.520 62.100 0.109 0.000 1.128 340 T CB 0.057 68.995 68.868 0.118 0.000 0.891 340 T HN 0.355 nan 8.240 nan 0.000 0.492 341 Q N -0.214 119.637 119.800 0.086 0.000 2.113 341 Q HA 0.217 4.557 4.340 0.000 0.000 0.225 341 Q C -0.314 175.720 176.000 0.058 0.000 0.786 341 Q CA -0.098 55.742 55.803 0.062 0.000 0.989 341 Q CB 1.106 29.881 28.738 0.062 0.000 1.174 341 Q HN 0.631 nan 8.270 nan 0.000 0.470 342 E N -0.837 119.404 120.200 0.069 0.000 2.413 342 E HA 0.479 4.829 4.350 0.000 0.000 0.277 342 E C -2.841 173.814 176.600 0.091 0.000 0.958 342 E CA -2.450 53.990 56.400 0.067 0.000 0.779 342 E CB 1.992 31.733 29.700 0.068 0.000 1.278 342 E HN -0.225 nan 8.360 nan 0.000 0.456 343 P HA 0.047 nan 4.420 nan 0.000 0.271 343 P C -0.180 177.301 177.300 0.303 0.000 1.220 343 P CA -0.279 62.921 63.100 0.166 0.000 0.768 343 P CB 0.903 32.637 31.700 0.056 0.000 0.848 344 V N 6.010 126.119 119.914 0.326 0.000 2.509 344 V HA 0.253 4.373 4.120 0.000 0.000 0.284 344 V C -1.785 174.509 176.094 0.333 0.000 1.047 344 V CA -2.086 60.402 62.300 0.313 0.000 0.952 344 V CB 0.907 32.841 31.823 0.185 0.000 0.988 344 V HN 0.555 nan 8.190 nan 0.000 0.469 345 P HA 0.387 nan 4.420 nan 0.000 0.276 345 P C -1.004 176.232 177.300 -0.106 0.000 1.230 345 P CA 0.017 62.944 63.100 -0.289 0.000 0.776 345 P CB 1.047 32.702 31.700 -0.074 0.000 0.888 346 I N 1.193 121.634 120.570 -0.216 0.000 2.994 346 I HA 0.745 4.915 4.170 0.000 0.000 0.306 346 I C -0.747 175.305 176.117 -0.109 0.000 1.195 346 I CA -1.433 59.832 61.300 -0.060 0.000 1.001 346 I CB 1.942 39.940 38.000 -0.004 0.000 1.244 346 I HN 0.184 nan 8.210 nan 0.000 0.437 347 V N -0.179 119.717 119.914 -0.030 0.000 3.130 347 V HA 0.803 4.923 4.120 0.000 0.000 0.310 347 V C -2.869 173.242 176.094 0.028 0.000 1.158 347 V CA -2.100 60.167 62.300 -0.054 0.000 1.029 347 V CB 1.821 33.598 31.823 -0.076 0.000 1.057 347 V HN 0.715 nan 8.190 nan 0.000 0.436 348 P HA 0.668 nan 4.420 nan 0.000 0.286 348 P C -0.831 176.640 177.300 0.284 0.000 1.269 348 P CA 0.046 63.243 63.100 0.160 0.000 0.787 348 P CB 1.317 33.080 31.700 0.105 0.000 0.920 349 A N 2.722 125.752 122.820 0.350 0.000 2.469 349 A HA 0.780 5.100 4.320 0.000 0.000 0.299 349 A C -0.682 177.212 177.584 0.517 0.000 1.098 349 A CA -0.915 51.375 52.037 0.421 0.000 0.737 349 A CB 1.303 20.446 19.000 0.239 0.000 1.312 349 A HN 0.472 nan 8.150 nan 0.000 0.414 350 A N -0.138 122.991 122.820 0.514 0.000 2.454 350 A HA 0.462 4.782 4.320 0.000 0.000 0.260 350 A C 0.365 178.091 177.584 0.238 0.000 1.106 350 A CA 0.688 52.859 52.037 0.223 0.000 0.780 350 A CB -0.281 18.871 19.000 0.254 0.000 1.044 350 A HN 1.259 nan 8.150 nan 0.000 0.498 351 H N 1.058 120.164 119.070 0.060 0.000 2.573 351 H HA 0.328 4.884 4.556 0.000 0.000 0.236 351 H C -0.949 174.499 175.328 0.200 0.000 0.907 351 H CA 0.750 56.882 56.048 0.140 0.000 1.058 351 H CB 0.403 30.288 29.762 0.205 0.000 1.417 351 H HN 0.679 nan 8.280 nan 0.000 0.425 352 Y N 0.372 120.630 120.300 -0.070 0.000 2.513 352 Y HA 0.420 4.970 4.550 0.000 0.000 0.340 352 Y C -1.181 174.695 175.900 -0.041 0.000 1.055 352 Y CA -0.997 57.034 58.100 -0.116 0.000 1.020 352 Y CB 1.860 40.259 38.460 -0.101 0.000 1.301 352 Y HN -0.010 nan 8.280 nan 0.000 0.453 353 T N 5.087 119.282 114.554 -0.598 0.000 2.891 353 T HA 0.168 4.518 4.350 0.000 0.000 0.315 353 T C 0.817 175.207 174.700 -0.516 0.000 1.054 353 T CA -0.286 61.573 62.100 -0.401 0.000 0.958 353 T CB -0.179 68.513 68.868 -0.294 0.000 1.008 353 T HN 0.879 nan 8.240 nan 0.000 0.521 354 C N 2.883 122.124 119.300 -0.099 0.000 2.422 354 C HA 0.086 4.546 4.460 0.000 0.000 0.279 354 C C 2.179 177.301 174.990 0.220 0.000 1.305 354 C CA 0.437 59.552 59.018 0.161 0.000 1.757 354 C CB -1.098 26.808 27.740 0.278 0.000 1.962 354 C HN 0.979 nan 8.230 nan 0.000 0.499 355 G N -1.297 107.591 108.800 0.147 0.000 2.630 355 G HA2 0.587 4.547 3.960 0.000 0.000 0.223 355 G HA3 0.587 4.547 3.960 0.000 0.000 0.223 355 G C 0.159 175.119 174.900 0.099 0.000 1.434 355 G CA 0.534 45.728 45.100 0.156 0.000 1.057 355 G HN 0.996 nan 8.290 nan 0.000 0.570 356 G N -2.621 106.217 108.800 0.064 0.000 2.250 356 G HA2 0.227 4.187 3.960 0.000 0.000 0.252 356 G HA3 0.227 4.187 3.960 0.000 0.000 0.252 356 G C -0.828 174.138 174.900 0.109 0.000 1.325 356 G CA -0.144 44.992 45.100 0.059 0.000 1.091 356 G HN 1.221 nan 8.290 nan 0.000 0.476 357 V N 2.595 122.573 119.914 0.108 0.000 2.479 357 V HA 0.316 4.436 4.120 0.000 0.000 0.281 357 V C 1.385 177.571 176.094 0.153 0.000 1.031 357 V CA 0.264 62.637 62.300 0.121 0.000 1.038 357 V CB 0.752 32.630 31.823 0.092 0.000 0.981 357 V HN 0.572 nan 8.190 nan 0.000 0.478 358 M N 5.100 124.805 119.600 0.176 0.000 2.248 358 M HA 0.324 4.804 4.480 0.000 0.000 0.345 358 M C -0.434 175.916 176.300 0.084 0.000 1.243 358 M CA 0.602 56.026 55.300 0.207 0.000 1.090 358 M CB 0.607 33.327 32.600 0.200 0.000 1.683 358 M HN 0.456 nan 8.290 nan 0.000 0.450 359 V N 2.033 121.960 119.914 0.021 0.000 3.120 359 V HA 0.264 4.384 4.120 0.000 0.000 0.303 359 V C -0.777 175.294 176.094 -0.039 0.000 1.238 359 V CA -0.772 61.522 62.300 -0.011 0.000 1.008 359 V CB 2.669 34.472 31.823 -0.033 0.000 1.064 359 V HN 1.012 nan 8.190 nan 0.000 0.434 360 D N 1.075 121.472 120.400 -0.004 0.000 2.475 360 D HA 0.200 4.840 4.640 0.000 0.000 0.286 360 D C 0.685 176.997 176.300 0.021 0.000 1.205 360 D CA -0.115 53.872 54.000 -0.022 0.000 1.092 360 D CB 0.292 41.080 40.800 -0.021 0.000 1.147 360 D HN 0.365 nan 8.370 nan 0.000 0.575 361 D N -1.606 118.734 120.400 -0.100 0.000 2.182 361 D HA -0.132 4.508 4.640 0.000 0.000 0.201 361 D C 1.115 177.352 176.300 -0.104 0.000 0.986 361 D CA 1.143 55.006 54.000 -0.229 0.000 0.847 361 D CB -0.136 40.334 40.800 -0.551 0.000 0.942 361 D HN 0.412 nan 8.370 nan 0.000 0.467 362 H N -1.322 117.837 119.070 0.148 0.000 2.519 362 H HA 0.344 4.900 4.556 -0.000 0.000 0.289 362 H C 1.384 176.903 175.328 0.319 0.000 1.040 362 H CA 0.628 56.789 56.048 0.187 0.000 1.165 362 H CB 0.592 30.443 29.762 0.148 0.000 1.462 362 H HN 0.144 nan 8.280 nan 0.000 0.555 363 G N 1.663 110.705 108.800 0.403 0.000 2.143 363 G HA2 -0.291 3.669 3.960 0.000 0.000 0.249 363 G HA3 -0.291 3.669 3.960 0.000 0.000 0.249 363 G C 0.376 175.459 174.900 0.305 0.000 0.981 363 G CA -0.308 45.007 45.100 0.358 0.000 0.665 363 G HN 0.315 nan 8.290 nan 0.000 0.528 364 R N 1.062 121.664 120.500 0.171 0.000 2.491 364 R HA 0.462 4.802 4.340 0.000 0.000 0.283 364 R C 1.232 177.486 176.300 -0.078 0.000 1.072 364 R CA 0.657 56.677 56.100 -0.134 0.000 1.048 364 R CB 0.605 30.827 30.300 -0.130 0.000 0.983 364 R HN 0.468 nan 8.270 nan 0.000 0.450 365 T N -2.182 112.296 114.554 -0.126 0.000 2.888 365 T HA 0.116 4.466 4.350 0.000 0.000 0.283 365 T C 0.789 175.451 174.700 -0.063 0.000 1.013 365 T CA -0.820 61.248 62.100 -0.053 0.000 0.938 365 T CB 0.829 69.679 68.868 -0.030 0.000 1.298 365 T HN 0.366 nan 8.240 nan 0.000 0.580 366 D N -0.255 120.127 120.400 -0.030 0.000 2.350 366 D HA 0.069 4.709 4.640 0.000 0.000 0.216 366 D C 0.300 176.570 176.300 -0.050 0.000 0.968 366 D CA 0.565 54.545 54.000 -0.033 0.000 0.894 366 D CB -0.105 40.684 40.800 -0.019 0.000 0.909 366 D HN 0.264 nan 8.370 nan 0.000 0.520 367 V N 2.470 122.348 119.914 -0.060 0.000 2.370 367 V HA 0.061 4.181 4.120 0.000 0.000 0.283 367 V C 0.378 176.421 176.094 -0.085 0.000 1.023 367 V CA -0.882 61.381 62.300 -0.061 0.000 0.857 367 V CB 1.945 33.739 31.823 -0.047 0.000 0.985 367 V HN -0.080 nan 8.190 nan 0.000 0.443 368 E N 3.130 123.287 120.200 -0.071 0.000 2.452 368 E HA 0.152 4.502 4.350 0.000 0.000 0.261 368 E C 1.339 177.895 176.600 -0.073 0.000 0.987 368 E CA 1.091 57.445 56.400 -0.077 0.000 0.926 368 E CB 0.671 30.351 29.700 -0.033 0.000 0.934 368 E HN 1.080 nan 8.360 nan 0.000 0.452 369 G N 1.870 110.610 108.800 -0.100 0.000 2.205 369 G HA2 -0.295 3.665 3.960 0.000 0.000 0.261 369 G HA3 -0.295 3.665 3.960 0.000 0.000 0.261 369 G C -0.073 174.807 174.900 -0.034 0.000 0.980 369 G CA 0.414 45.495 45.100 -0.031 0.000 0.632 369 G HN 0.383 nan 8.290 nan 0.000 0.533 370 L N 0.947 122.088 121.223 -0.137 0.000 2.296 370 L HA 0.846 5.186 4.340 0.000 0.000 0.286 370 L C -0.399 176.369 176.870 -0.170 0.000 1.023 370 L CA -1.944 52.862 54.840 -0.057 0.000 0.812 370 L CB 0.745 42.782 42.059 -0.036 0.000 1.223 370 L HN 0.134 nan 8.230 nan 0.000 0.421 371 Y N 3.217 123.529 120.300 0.020 0.000 2.602 371 Y HA 0.868 5.418 4.550 0.000 0.000 0.330 371 Y C 0.109 176.027 175.900 0.031 0.000 1.114 371 Y CA -0.403 57.715 58.100 0.030 0.000 1.182 371 Y CB 2.104 40.581 38.460 0.029 0.000 1.305 371 Y HN 0.700 nan 8.280 nan 0.000 0.502 372 A N 1.799 124.743 122.820 0.207 0.000 2.517 372 A HA 0.789 5.109 4.320 0.000 0.000 0.297 372 A C -1.489 176.152 177.584 0.094 0.000 1.050 372 A CA -0.540 51.573 52.037 0.126 0.000 0.694 372 A CB 0.848 19.896 19.000 0.080 0.000 1.277 372 A HN 0.713 nan 8.150 nan 0.000 0.400 373 I N -0.762 119.857 120.570 0.081 0.000 2.994 373 I HA 0.954 5.124 4.170 0.000 0.000 0.306 373 I C 0.360 176.515 176.117 0.062 0.000 1.195 373 I CA -0.268 61.066 61.300 0.057 0.000 1.001 373 I CB 2.108 40.192 38.000 0.140 0.000 1.244 373 I HN 2.105 nan 8.210 nan 0.000 0.437 374 G N 3.125 111.963 108.800 0.063 0.000 2.512 374 G HA2 -0.232 3.728 3.960 0.000 0.000 0.210 374 G HA3 -0.232 3.728 3.960 0.000 0.000 0.210 374 G C 0.202 175.167 174.900 0.109 0.000 1.295 374 G CA 0.456 45.627 45.100 0.118 0.000 0.934 374 G HN 1.176 nan 8.290 nan 0.000 0.554 375 E N -0.801 119.470 120.200 0.118 0.000 2.204 375 E HA 0.026 4.376 4.350 0.000 0.000 0.194 375 E C 2.422 178.988 176.600 -0.057 0.000 0.989 375 E CA 1.625 58.029 56.400 0.007 0.000 0.824 375 E CB -0.075 29.610 29.700 -0.024 0.000 0.756 375 E HN 0.863 nan 8.360 nan 0.000 0.477 376 V N 0.868 120.781 119.914 -0.001 0.000 3.186 376 V HA -0.111 4.009 4.120 0.000 0.000 0.270 376 V C 0.843 176.948 176.094 0.018 0.000 1.149 376 V CA 1.217 63.519 62.300 0.004 0.000 1.160 376 V CB -0.370 31.472 31.823 0.032 0.000 0.758 376 V HN 0.424 nan 8.190 nan 0.000 0.516 377 S N -1.139 114.570 115.700 0.015 0.000 2.745 377 S HA 0.511 4.981 4.470 0.000 0.000 0.292 377 S C -0.871 173.773 174.600 0.072 0.000 1.133 377 S CA -0.592 57.620 58.200 0.019 0.000 0.998 377 S CB 1.703 64.864 63.200 -0.066 0.000 1.087 377 S HN 0.389 nan 8.310 nan 0.000 0.551 378 Y N 0.767 121.035 120.300 -0.053 0.000 2.327 378 Y HA 0.475 5.025 4.550 0.000 0.000 0.325 378 Y C 0.652 176.498 175.900 -0.090 0.000 0.999 378 Y CA -0.257 57.820 58.100 -0.039 0.000 1.195 378 Y CB 1.613 40.074 38.460 0.001 0.000 1.132 378 Y HN 0.939 nan 8.280 nan 0.000 0.455 379 T N 0.272 114.310 114.554 -0.861 0.000 2.969 379 T HA 0.394 4.744 4.350 0.000 0.000 0.250 379 T C 1.318 175.545 174.700 -0.787 0.000 1.021 379 T CA 0.542 62.198 62.100 -0.740 0.000 1.003 379 T CB 0.216 68.753 68.868 -0.552 0.000 1.040 379 T HN 1.466 nan 8.240 nan 0.000 0.492 380 G N 1.047 109.290 108.800 -0.929 0.000 2.218 380 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 380 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 380 G C 0.583 175.374 174.900 -0.183 0.000 0.994 380 G CA 0.281 45.151 45.100 -0.384 0.000 0.637 380 G HN 0.555 nan 8.290 nan 0.000 0.505 381 L N 1.049 122.104 121.223 -0.280 0.000 2.046 381 L HA 0.178 4.518 4.340 0.000 0.000 0.208 381 L C 2.147 178.929 176.870 -0.147 0.000 1.077 381 L CA 2.641 57.335 54.840 -0.242 0.000 0.747 381 L CB -0.443 41.381 42.059 -0.392 0.000 0.896 381 L HN 0.390 nan 8.230 nan 0.000 0.432 382 H N -0.261 118.845 119.070 0.061 0.000 2.526 382 H HA 0.335 4.891 4.556 -0.000 0.000 0.274 382 H C 1.652 176.985 175.328 0.010 0.000 0.999 382 H CA 0.244 56.333 56.048 0.069 0.000 1.157 382 H CB -0.743 29.113 29.762 0.158 0.000 1.407 382 H HN 0.450 nan 8.280 nan 0.000 0.568 383 G N 1.660 110.515 108.800 0.091 0.000 2.674 383 G HA2 -0.425 3.535 3.960 0.000 0.000 0.375 383 G HA3 -0.425 3.535 3.960 0.000 0.000 0.375 383 G C 1.298 176.032 174.900 -0.278 0.000 1.175 383 G CA 1.779 46.865 45.100 -0.023 0.000 0.925 383 G HN 0.577 nan 8.290 nan 0.000 0.606 384 A N 0.075 122.623 122.820 -0.454 0.000 2.379 384 A HA 0.561 4.881 4.320 0.000 0.000 0.236 384 A C 0.659 178.004 177.584 -0.399 0.000 1.272 384 A CA 1.294 52.726 52.037 -1.009 0.000 0.886 384 A CB -0.230 18.286 19.000 -0.807 0.000 0.962 384 A HN 1.477 nan 8.150 nan 0.000 0.504 385 N N -0.965 117.657 118.700 -0.130 0.000 2.999 385 N HA 0.248 4.988 4.740 0.000 0.000 0.244 385 N C -1.113 174.416 175.510 0.030 0.000 1.106 385 N CA -0.510 52.540 53.050 0.001 0.000 1.018 385 N CB 0.564 39.059 38.487 0.013 0.000 1.600 385 N HN 0.158 nan 8.380 nan 0.000 0.621 386 L N 2.699 123.931 121.223 0.014 0.000 2.461 386 L HA 0.486 4.826 4.340 0.000 0.000 0.272 386 L C -0.080 176.764 176.870 -0.043 0.000 1.197 386 L CA 0.114 54.901 54.840 -0.087 0.000 0.836 386 L CB 0.473 42.312 42.059 -0.368 0.000 1.105 386 L HN 0.739 nan 8.230 nan 0.000 0.477 387 M N 4.579 124.179 119.600 -0.001 0.000 2.264 387 M HA 0.489 4.969 4.480 0.000 0.000 0.352 387 M C 0.173 176.503 176.300 0.051 0.000 1.173 387 M CA -0.610 54.706 55.300 0.026 0.000 1.075 387 M CB 1.314 33.916 32.600 0.003 0.000 1.621 387 M HN 0.925 nan 8.290 nan 0.000 0.457 388 A N 3.568 126.437 122.820 0.082 0.000 2.584 388 A HA 0.152 4.472 4.320 0.000 0.000 0.239 388 A C 0.946 178.609 177.584 0.132 0.000 1.043 388 A CA 1.083 53.157 52.037 0.062 0.000 0.756 388 A CB -0.263 18.749 19.000 0.021 0.000 0.963 388 A HN 1.179 nan 8.150 nan 0.000 0.511 389 S N 0.998 116.724 115.700 0.044 0.000 2.857 389 S HA -0.152 4.318 4.470 0.000 0.000 0.268 389 S C 1.073 175.744 174.600 0.119 0.000 1.297 389 S CA 1.160 59.394 58.200 0.057 0.000 1.280 389 S CB -1.351 61.856 63.200 0.011 0.000 1.562 389 S HN 0.900 nan 8.310 nan 0.000 0.661 390 N N 0.977 119.753 118.700 0.127 0.000 2.463 390 N HA 0.120 4.860 4.740 0.000 0.000 0.181 390 N C 1.572 177.190 175.510 0.179 0.000 1.078 390 N CA 1.051 54.217 53.050 0.193 0.000 0.902 390 N CB -0.165 38.472 38.487 0.250 0.000 0.970 390 N HN 0.714 nan 8.380 nan 0.000 0.451 391 S N 0.675 116.385 115.700 0.017 0.000 2.329 391 S HA -0.011 4.460 4.470 0.000 0.000 0.215 391 S C 2.068 176.754 174.600 0.142 0.000 1.031 391 S CA 0.558 58.763 58.200 0.008 0.000 0.985 391 S CB -0.701 62.306 63.200 -0.321 0.000 0.917 391 S HN 0.174 nan 8.310 nan 0.000 0.441 392 L N 0.853 122.140 121.223 0.107 0.000 2.081 392 L HA -0.123 4.217 4.340 0.000 0.000 0.212 392 L C 2.596 179.556 176.870 0.150 0.000 1.080 392 L CA 0.949 55.870 54.840 0.135 0.000 0.754 392 L CB -0.653 41.476 42.059 0.118 0.000 0.893 392 L HN 0.268 nan 8.230 nan 0.000 0.433 393 L N 0.048 121.361 121.223 0.149 0.000 2.131 393 L HA -0.224 4.116 4.340 0.000 0.000 0.210 393 L C 2.409 179.387 176.870 0.180 0.000 1.092 393 L CA 1.852 56.783 54.840 0.152 0.000 0.759 393 L CB -0.515 41.644 42.059 0.167 0.000 0.903 393 L HN 0.301 nan 8.230 nan 0.000 0.435 394 E N -1.521 118.820 120.200 0.236 0.000 2.112 394 E HA -0.178 4.172 4.350 0.000 0.000 0.190 394 E C 2.231 179.027 176.600 0.325 0.000 0.979 394 E CA 1.128 57.715 56.400 0.310 0.000 0.814 394 E CB -0.144 29.728 29.700 0.287 0.000 0.762 394 E HN 0.629 nan 8.360 nan 0.000 0.460 395 C N 0.700 120.147 119.300 0.244 0.000 2.401 395 C HA -0.148 4.312 4.460 0.000 0.000 0.276 395 C C 2.558 177.656 174.990 0.180 0.000 1.233 395 C CA 0.707 59.849 59.018 0.206 0.000 1.753 395 C CB -1.004 26.839 27.740 0.172 0.000 2.029 395 C HN 0.466 nan 8.230 nan 0.000 0.478 396 L N -0.040 121.268 121.223 0.142 0.000 2.095 396 L HA -0.040 4.300 4.340 0.000 0.000 0.204 396 L C 2.497 179.390 176.870 0.037 0.000 1.080 396 L CA 0.851 55.726 54.840 0.058 0.000 0.759 396 L CB -0.667 41.416 42.059 0.039 0.000 0.914 396 L HN 0.140 nan 8.230 nan 0.000 0.439 397 V N -1.216 118.732 119.914 0.058 0.000 2.594 397 V HA -0.275 3.845 4.120 0.000 0.000 0.253 397 V C 1.905 177.983 176.094 -0.026 0.000 1.069 397 V CA 1.695 63.969 62.300 -0.044 0.000 1.082 397 V CB -0.663 31.061 31.823 -0.166 0.000 0.680 397 V HN 0.370 nan 8.190 nan 0.000 0.469 398 Y N 0.518 120.899 120.300 0.134 0.000 2.510 398 Y HA 0.248 4.798 4.550 0.000 0.000 0.273 398 Y C 2.383 178.334 175.900 0.085 0.000 1.119 398 Y CA 0.644 58.830 58.100 0.143 0.000 1.286 398 Y CB -0.369 38.164 38.460 0.123 0.000 1.061 398 Y HN 0.240 nan 8.280 nan 0.000 0.542 399 G N -0.770 108.122 108.800 0.154 0.000 2.421 399 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 399 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 399 G C 1.388 176.281 174.900 -0.011 0.000 1.143 399 G CA 0.565 45.684 45.100 0.032 0.000 0.784 399 G HN 0.543 nan 8.290 nan 0.000 0.541 400 W N 2.385 123.570 121.300 -0.192 0.000 2.418 400 W HA -0.111 4.549 4.660 0.000 0.000 0.319 400 W C 2.966 179.427 176.519 -0.097 0.000 1.183 400 W CA 2.594 59.813 57.345 -0.210 0.000 1.327 400 W CB -0.598 28.710 29.460 -0.253 0.000 1.163 400 W HN 0.213 nan 8.180 nan 0.000 0.479 401 S N 0.736 116.333 115.700 -0.172 0.000 2.399 401 S HA -0.153 4.317 4.470 0.000 0.000 0.231 401 S C 1.949 176.479 174.600 -0.117 0.000 1.022 401 S CA 1.605 59.561 58.200 -0.406 0.000 0.983 401 S CB -1.065 62.078 63.200 -0.096 0.000 0.803 401 S HN 0.379 nan 8.310 nan 0.000 0.480 402 A N 1.790 124.582 122.820 -0.046 0.000 1.929 402 A HA 0.444 4.764 4.320 0.000 0.000 0.216 402 A C 2.534 179.959 177.584 -0.265 0.000 1.176 402 A CA 1.412 53.396 52.037 -0.088 0.000 0.628 402 A CB -1.385 17.558 19.000 -0.096 0.000 0.816 402 A HN 0.892 nan 8.150 nan 0.000 0.444 403 A N -0.292 122.375 122.820 -0.254 0.000 1.933 403 A HA -0.131 4.189 4.320 0.000 0.000 0.218 403 A C 1.925 179.351 177.584 -0.263 0.000 1.175 403 A CA 1.781 53.665 52.037 -0.255 0.000 0.628 403 A CB -0.351 18.541 19.000 -0.180 0.000 0.814 403 A HN 0.408 nan 8.150 nan 0.000 0.444 404 E N 0.060 120.052 120.200 -0.346 0.000 2.047 404 E HA -0.171 4.179 4.350 0.000 0.000 0.191 404 E C 1.680 178.112 176.600 -0.279 0.000 0.987 404 E CA 1.513 57.718 56.400 -0.324 0.000 0.799 404 E CB -0.566 28.846 29.700 -0.480 0.000 0.752 404 E HN 0.742 nan 8.360 nan 0.000 0.449 405 D N 0.091 120.277 120.400 -0.356 0.000 2.144 405 D HA -0.083 4.557 4.640 0.000 0.000 0.200 405 D C 1.992 178.184 176.300 -0.181 0.000 0.978 405 D CA 0.805 54.562 54.000 -0.404 0.000 0.833 405 D CB -0.043 40.400 40.800 -0.594 0.000 0.961 405 D HN 0.091 nan 8.370 nan 0.000 0.470 406 I N -0.106 120.341 120.570 -0.205 0.000 2.133 406 I HA -0.239 3.931 4.170 0.000 0.000 0.238 406 I C 2.352 178.400 176.117 -0.115 0.000 1.074 406 I CA 1.240 62.436 61.300 -0.173 0.000 1.342 406 I CB -0.605 37.173 38.000 -0.370 0.000 1.053 406 I HN 0.018 nan 8.210 nan 0.000 0.404 407 T N 0.596 115.071 114.554 -0.133 0.000 2.684 407 T HA -0.295 4.055 4.350 0.000 0.000 0.267 407 T C 1.944 176.673 174.700 0.048 0.000 1.032 407 T CA 1.707 63.831 62.100 0.041 0.000 1.155 407 T CB -0.353 68.542 68.868 0.045 0.000 0.857 407 T HN 0.309 nan 8.240 nan 0.000 0.457 408 R N 0.079 120.575 120.500 -0.006 0.000 2.193 408 R HA 0.114 4.454 4.340 0.000 0.000 0.213 408 R C 2.595 178.946 176.300 0.085 0.000 1.055 408 R CA 0.768 56.885 56.100 0.029 0.000 0.995 408 R CB -0.027 30.268 30.300 -0.008 0.000 0.893 408 R HN 0.375 nan 8.270 nan 0.000 0.459 409 R N -0.531 120.009 120.500 0.066 0.000 2.173 409 R HA 0.084 4.425 4.340 0.000 0.000 0.208 409 R C 1.952 178.316 176.300 0.106 0.000 1.035 409 R CA 0.391 56.565 56.100 0.122 0.000 1.004 409 R CB -0.128 30.229 30.300 0.095 0.000 0.917 409 R HN 0.029 nan 8.270 nan 0.000 0.462 410 M N 1.921 121.561 119.600 0.068 0.000 2.144 410 M HA -0.064 4.416 4.480 0.000 0.000 0.260 410 M C -1.110 175.170 176.300 -0.032 0.000 1.067 410 M CA 1.686 57.022 55.300 0.060 0.000 1.095 410 M CB -0.609 32.087 32.600 0.160 0.000 1.365 410 M HN -0.121 nan 8.290 nan 0.000 0.406 411 P HA -0.113 nan 4.420 nan 0.000 0.222 411 P C 0.281 177.294 177.300 -0.478 0.000 1.147 411 P CA 1.396 64.270 63.100 -0.377 0.000 0.790 411 P CB -0.210 31.117 31.700 -0.622 0.000 0.780 412 Y N -1.647 118.636 120.300 -0.028 0.000 2.467 412 Y HA 0.438 4.988 4.550 -0.000 0.000 0.250 412 Y C 1.225 177.057 175.900 -0.112 0.000 1.155 412 Y CA -0.761 57.300 58.100 -0.065 0.000 1.249 412 Y CB -0.240 38.180 38.460 -0.066 0.000 1.146 412 Y HN -0.189 nan 8.280 nan 0.000 0.524 413 A N 1.032 123.856 122.820 0.007 0.000 2.462 413 A HA 0.109 4.429 4.320 0.000 0.000 0.243 413 A C 0.033 177.600 177.584 -0.028 0.000 1.076 413 A CA -0.365 51.667 52.037 -0.008 0.000 0.773 413 A CB -0.106 18.929 19.000 0.058 0.000 1.010 413 A HN 0.396 nan 8.150 nan 0.000 0.493 414 H N 1.484 120.586 119.070 0.054 0.000 2.913 414 H HA 0.021 4.577 4.556 0.000 0.000 0.365 414 H C -0.374 174.974 175.328 0.034 0.000 1.155 414 H CA 0.450 56.522 56.048 0.041 0.000 1.417 414 H CB 0.430 30.214 29.762 0.036 0.000 1.386 414 H HN 0.686 nan 8.280 nan 0.000 0.614 415 D N 2.190 122.693 120.400 0.172 0.000 2.302 415 D HA 0.089 4.729 4.640 0.000 0.000 0.248 415 D C 0.460 176.811 176.300 0.086 0.000 1.094 415 D CA -0.570 53.487 54.000 0.096 0.000 0.897 415 D CB 1.296 42.132 40.800 0.059 0.000 1.200 415 D HN 0.261 nan 8.370 nan 0.000 0.429 416 I N 0.835 121.441 120.570 0.060 0.000 2.725 416 I HA -0.057 4.113 4.170 0.000 0.000 0.296 416 I C 1.144 177.276 176.117 0.025 0.000 1.155 416 I CA -0.511 60.819 61.300 0.050 0.000 1.450 416 I CB -1.553 36.464 38.000 0.029 0.000 1.478 416 I HN 0.139 nan 8.210 nan 0.000 0.642 417 S N 3.202 118.936 115.700 0.056 0.000 2.608 417 S HA 0.483 4.953 4.470 0.000 0.000 0.261 417 S C 0.571 175.230 174.600 0.098 0.000 1.314 417 S CA -0.532 57.701 58.200 0.055 0.000 0.992 417 S CB 0.423 63.654 63.200 0.052 0.000 0.935 417 S HN 0.765 nan 8.310 nan 0.000 0.564 418 T N -0.287 114.318 114.554 0.086 0.000 2.904 418 T HA 0.582 4.932 4.350 0.000 0.000 0.290 418 T C -0.210 174.615 174.700 0.207 0.000 1.018 418 T CA -0.807 61.393 62.100 0.167 0.000 1.075 418 T CB -0.164 68.767 68.868 0.104 0.000 0.986 418 T HN 0.546 nan 8.240 nan 0.000 0.523 419 L N 1.994 123.385 121.223 0.280 0.000 2.323 419 L HA 0.574 4.914 4.340 0.000 0.000 0.265 419 L C -2.290 174.691 176.870 0.185 0.000 1.012 419 L CA -2.702 52.222 54.840 0.140 0.000 0.820 419 L CB 1.809 43.829 42.059 -0.065 0.000 1.334 419 L HN 0.504 nan 8.230 nan 0.000 0.427 420 P HA 0.256 nan 4.420 nan 0.000 0.271 420 P C -2.571 174.970 177.300 0.401 0.000 1.216 420 P CA -0.932 62.324 63.100 0.260 0.000 0.776 420 P CB -0.002 31.855 31.700 0.263 0.000 0.881 421 P HA 0.113 nan 4.420 nan 0.000 0.279 421 P C -0.761 176.668 177.300 0.215 0.000 1.252 421 P CA -0.705 62.592 63.100 0.329 0.000 0.811 421 P CB 0.650 32.471 31.700 0.201 0.000 1.035 422 W N 2.902 124.156 121.300 -0.077 0.000 2.251 422 W HA 0.015 4.675 4.660 0.000 0.000 0.327 422 W C 0.004 176.404 176.519 -0.198 0.000 1.361 422 W CA 0.392 57.478 57.345 -0.432 0.000 1.234 422 W CB 0.321 29.509 29.460 -0.454 0.000 1.212 422 W HN 0.428 nan 8.180 nan 0.000 0.557 423 D N 5.424 125.326 120.400 -0.830 0.000 2.911 423 D HA -0.127 4.513 4.640 0.000 0.000 0.233 423 D C 0.697 176.790 176.300 -0.345 0.000 1.134 423 D CA 0.555 54.233 54.000 -0.537 0.000 1.011 423 D CB -0.039 40.424 40.800 -0.563 0.000 1.174 423 D HN 0.346 nan 8.370 nan 0.000 0.440 424 E N -0.341 119.869 120.200 0.017 0.000 3.661 424 E HA -0.186 4.164 4.350 0.000 0.000 0.262 424 E C -0.246 176.400 176.600 0.076 0.000 0.817 424 E CA 0.366 56.895 56.400 0.216 0.000 0.977 424 E CB -0.618 29.191 29.700 0.182 0.000 0.854 424 E HN 0.265 nan 8.360 nan 0.000 0.566 425 S N 2.953 118.719 115.700 0.111 0.000 2.652 425 S HA 0.542 5.012 4.470 0.000 0.000 0.270 425 S C 0.832 175.484 174.600 0.088 0.000 1.243 425 S CA -0.202 58.039 58.200 0.068 0.000 0.999 425 S CB 0.800 64.067 63.200 0.112 0.000 0.973 425 S HN 0.578 nan 8.310 nan 0.000 0.544 426 R N 0.434 120.967 120.500 0.054 0.000 2.519 426 R HA 0.308 4.648 4.340 0.000 0.000 0.375 426 R C -0.947 175.345 176.300 -0.013 0.000 0.926 426 R CA 0.003 56.122 56.100 0.031 0.000 1.166 426 R CB 0.279 30.594 30.300 0.026 0.000 1.626 426 R HN 0.514 nan 8.270 nan 0.000 0.529 427 V N 1.315 121.221 119.914 -0.013 0.000 2.872 427 V HA 0.086 4.206 4.120 0.000 0.000 0.307 427 V C 0.447 176.376 176.094 -0.276 0.000 1.072 427 V CA 0.667 62.916 62.300 -0.085 0.000 1.148 427 V CB 1.365 33.188 31.823 0.001 0.000 0.954 427 V HN 0.262 nan 8.190 nan 0.000 0.490 428 E N 2.106 122.131 120.200 -0.292 0.000 2.423 428 E HA 0.548 4.898 4.350 0.000 0.000 0.269 428 E C -0.825 175.561 176.600 -0.357 0.000 0.948 428 E CA -0.821 55.346 56.400 -0.388 0.000 0.802 428 E CB 1.783 31.360 29.700 -0.204 0.000 1.339 428 E HN 0.608 nan 8.360 nan 0.000 0.445 429 N N 1.255 119.775 118.700 -0.302 0.000 3.570 429 N HA 0.085 4.825 4.740 0.000 0.000 0.193 429 N C -2.630 172.846 175.510 -0.055 0.000 1.465 429 N CA -0.723 52.248 53.050 -0.132 0.000 0.791 429 N CB 0.949 39.402 38.487 -0.057 0.000 1.677 429 N HN 0.134 nan 8.380 nan 0.000 0.678 430 P HA -0.134 nan 4.420 nan 0.000 0.217 430 P C 0.844 178.145 177.300 0.002 0.000 1.151 430 P CA 1.338 64.422 63.100 -0.027 0.000 0.849 430 P CB 0.507 32.196 31.700 -0.019 0.000 0.787 431 D N -0.913 119.504 120.400 0.029 0.000 2.091 431 D HA -0.144 4.496 4.640 0.000 0.000 0.199 431 D C 1.914 178.261 176.300 0.078 0.000 0.980 431 D CA 0.894 54.923 54.000 0.049 0.000 0.831 431 D CB -0.320 40.513 40.800 0.055 0.000 0.987 431 D HN -0.002 nan 8.370 nan 0.000 0.460 432 E N 0.287 120.572 120.200 0.141 0.000 2.209 432 E HA -0.175 4.175 4.350 0.000 0.000 0.196 432 E C 2.249 178.950 176.600 0.169 0.000 0.993 432 E CA 0.508 57.044 56.400 0.226 0.000 0.819 432 E CB -0.063 29.923 29.700 0.477 0.000 0.745 432 E HN 0.385 nan 8.360 nan 0.000 0.477 433 R N 0.343 120.904 120.500 0.103 0.000 2.081 433 R HA -0.102 4.238 4.340 0.000 0.000 0.235 433 R C 2.476 178.731 176.300 -0.076 0.000 1.131 433 R CA 1.057 57.153 56.100 -0.007 0.000 0.960 433 R CB -0.439 29.834 30.300 -0.045 0.000 0.856 433 R HN 0.057 nan 8.270 nan 0.000 0.436 434 V N 0.848 120.726 119.914 -0.061 0.000 2.343 434 V HA -0.226 3.894 4.120 0.000 0.000 0.247 434 V C 2.492 178.452 176.094 -0.224 0.000 1.051 434 V CA 1.683 63.895 62.300 -0.147 0.000 1.036 434 V CB -0.420 31.346 31.823 -0.094 0.000 0.654 434 V HN 0.110 nan 8.190 nan 0.000 0.451 435 V N 0.049 119.938 119.914 -0.042 0.000 2.332 435 V HA -0.294 3.826 4.120 0.000 0.000 0.248 435 V C 2.342 178.453 176.094 0.029 0.000 1.055 435 V CA 2.106 64.451 62.300 0.074 0.000 1.038 435 V CB -0.815 31.109 31.823 0.167 0.000 0.651 435 V HN 0.535 nan 8.190 nan 0.000 0.450 436 I N 0.530 121.062 120.570 -0.064 0.000 2.300 436 I HA -0.335 3.835 4.170 0.000 0.000 0.252 436 I C 2.529 178.597 176.117 -0.082 0.000 1.119 436 I CA 1.946 63.166 61.300 -0.133 0.000 1.384 436 I CB -0.361 37.398 38.000 -0.401 0.000 1.062 436 I HN 0.527 nan 8.210 nan 0.000 0.426 437 Q N -0.586 119.116 119.800 -0.162 0.000 2.119 437 Q HA -0.213 4.127 4.340 0.000 0.000 0.201 437 Q C 2.089 178.094 176.000 0.009 0.000 0.972 437 Q CA 1.229 56.927 55.803 -0.176 0.000 0.847 437 Q CB -0.272 28.317 28.738 -0.248 0.000 0.903 437 Q HN 0.657 nan 8.270 nan 0.000 0.433 438 H N 0.954 120.124 119.070 0.167 0.000 2.321 438 H HA -0.058 4.498 4.556 0.000 0.000 0.300 438 H C 1.875 177.336 175.328 0.220 0.000 1.087 438 H CA 1.196 57.379 56.048 0.225 0.000 1.319 438 H CB -0.221 29.629 29.762 0.146 0.000 1.379 438 H HN 0.267 nan 8.280 nan 0.000 0.501 439 N N 0.384 119.254 118.700 0.284 0.000 2.069 439 N HA -0.175 4.565 4.740 0.000 0.000 0.191 439 N C 1.883 177.504 175.510 0.185 0.000 1.031 439 N CA 0.995 54.181 53.050 0.226 0.000 0.852 439 N CB -0.882 37.739 38.487 0.224 0.000 1.018 439 N HN 0.413 nan 8.380 nan 0.000 0.423 440 W N 2.222 123.481 121.300 -0.067 0.000 2.317 440 W HA -0.222 4.438 4.660 -0.000 0.000 0.318 440 W C 2.402 178.818 176.519 -0.172 0.000 1.227 440 W CA 1.828 59.072 57.345 -0.168 0.000 1.269 440 W CB -0.544 28.751 29.460 -0.275 0.000 1.155 440 W HN 0.241 nan 8.180 nan 0.000 0.484 441 H N -0.392 118.804 119.070 0.210 0.000 2.353 441 H HA -0.157 4.399 4.556 -0.000 0.000 0.300 441 H C 2.082 177.359 175.328 -0.085 0.000 1.090 441 H CA 1.971 58.031 56.048 0.019 0.000 1.327 441 H CB -0.798 29.047 29.762 0.138 0.000 1.383 441 H HN 0.399 nan 8.280 nan 0.000 0.508 442 E N 0.363 120.642 120.200 0.132 0.000 2.058 442 E HA -0.156 4.194 4.350 0.000 0.000 0.194 442 E C 2.271 178.764 176.600 -0.178 0.000 0.997 442 E CA 0.749 57.203 56.400 0.089 0.000 0.801 442 E CB -0.018 29.799 29.700 0.196 0.000 0.746 442 E HN 0.136 nan 8.360 nan 0.000 0.450 443 L N 1.422 122.444 121.223 -0.334 0.000 1.976 443 L HA -0.203 4.137 4.340 0.000 0.000 0.209 443 L C 2.304 178.679 176.870 -0.825 0.000 1.071 443 L CA 1.825 56.188 54.840 -0.794 0.000 0.746 443 L CB -0.303 41.482 42.059 -0.457 0.000 0.890 443 L HN -0.009 nan 8.230 nan 0.000 0.432 444 R N -0.852 119.302 120.500 -0.576 0.000 2.200 444 R HA -0.175 4.165 4.340 0.000 0.000 0.234 444 R C 2.011 178.123 176.300 -0.313 0.000 1.127 444 R CA 1.281 57.091 56.100 -0.484 0.000 0.989 444 R CB -0.693 29.247 30.300 -0.599 0.000 0.869 444 R HN 0.334 nan 8.270 nan 0.000 0.459 445 L N 0.976 122.034 121.223 -0.274 0.000 2.102 445 L HA -0.042 4.298 4.340 0.000 0.000 0.202 445 L C 1.969 178.834 176.870 -0.009 0.000 1.076 445 L CA 1.471 56.242 54.840 -0.115 0.000 0.761 445 L CB -0.782 41.248 42.059 -0.048 0.000 0.921 445 L HN 0.139 nan 8.230 nan 0.000 0.444 446 F N -1.560 118.391 119.950 0.001 0.000 2.325 446 F HA -0.029 4.498 4.527 0.000 0.000 0.299 446 F C 1.997 177.826 175.800 0.047 0.000 1.090 446 F CA 0.721 58.702 58.000 -0.033 0.000 1.392 446 F CB -1.287 37.783 39.000 0.116 0.000 1.053 446 F HN -0.048 nan 8.300 nan 0.000 0.521 447 M N -0.129 119.447 119.600 -0.040 0.000 2.296 447 M HA -0.184 4.296 4.480 0.000 0.000 0.265 447 M C 2.153 178.668 176.300 0.359 0.000 1.064 447 M CA 1.064 56.458 55.300 0.157 0.000 1.109 447 M CB -1.499 30.990 32.600 -0.185 0.000 1.396 447 M HN 0.652 nan 8.290 nan 0.000 0.430 448 W N 2.111 123.496 121.300 0.142 0.000 2.381 448 W HA -0.187 4.473 4.660 -0.000 0.000 0.301 448 W C 1.083 177.646 176.519 0.073 0.000 1.205 448 W CA 1.328 58.790 57.345 0.195 0.000 1.285 448 W CB -0.149 29.368 29.460 0.095 0.000 1.133 448 W HN 0.235 nan 8.180 nan 0.000 0.521 449 D N -0.791 119.649 120.400 0.067 0.000 2.234 449 D HA -0.115 4.525 4.640 0.000 0.000 0.205 449 D C 1.145 177.349 176.300 -0.160 0.000 0.962 449 D CA 1.219 55.100 54.000 -0.199 0.000 0.855 449 D CB -0.219 40.312 40.800 -0.448 0.000 0.951 449 D HN 0.230 nan 8.370 nan 0.000 0.500 450 Y N -0.670 119.726 120.300 0.160 0.000 2.481 450 Y HA 0.221 4.771 4.550 -0.000 0.000 0.247 450 Y C 0.879 176.858 175.900 0.133 0.000 1.151 450 Y CA -0.251 57.928 58.100 0.131 0.000 1.238 450 Y CB 0.911 39.468 38.460 0.161 0.000 1.179 450 Y HN -0.267 nan 8.280 nan 0.000 0.524 451 V N -0.867 119.229 119.914 0.305 0.000 2.864 451 V HA 0.495 4.615 4.120 0.000 0.000 0.378 451 V C 0.782 177.051 176.094 0.292 0.000 1.346 451 V CA -0.103 62.369 62.300 0.286 0.000 1.328 451 V CB 0.110 32.115 31.823 0.303 0.000 1.361 451 V HN 0.232 nan 8.190 nan 0.000 0.641 452 G N 0.104 108.930 108.800 0.045 0.000 2.773 452 G HA2 0.538 4.498 3.960 0.000 0.000 0.186 452 G HA3 0.538 4.498 3.960 0.000 0.000 0.186 452 G C 0.859 175.550 174.900 -0.348 0.000 1.411 452 G CA -0.444 44.466 45.100 -0.318 0.000 1.054 452 G HN 0.178 nan 8.290 nan 0.000 0.579 453 I N -0.536 119.590 120.570 -0.740 0.000 2.252 453 I HA -0.012 4.158 4.170 0.000 0.000 0.245 453 I C 0.379 176.362 176.117 -0.223 0.000 1.102 453 I CA 0.713 61.687 61.300 -0.543 0.000 1.385 453 I CB -0.260 37.307 38.000 -0.722 0.000 1.064 453 I HN -0.138 nan 8.210 nan 0.000 0.414 454 V N 1.238 121.052 119.914 -0.168 0.000 2.581 454 V HA 0.467 4.587 4.120 0.000 0.000 0.303 454 V C -0.094 176.034 176.094 0.057 0.000 1.041 454 V CA -0.713 61.624 62.300 0.062 0.000 0.907 454 V CB 1.936 33.801 31.823 0.070 0.000 0.994 454 V HN 0.172 nan 8.190 nan 0.000 0.442 455 R N 1.083 121.642 120.500 0.099 0.000 2.855 455 R HA 0.849 5.189 4.340 0.000 0.000 0.266 455 R C -0.873 175.448 176.300 0.035 0.000 1.034 455 R CA -0.615 55.517 56.100 0.054 0.000 0.944 455 R CB 2.529 32.841 30.300 0.021 0.000 1.219 455 R HN 0.913 nan 8.270 nan 0.000 0.474 456 T N -3.094 111.490 114.554 0.049 0.000 2.843 456 T HA 0.209 4.559 4.350 0.000 0.000 0.302 456 T C 0.703 175.431 174.700 0.046 0.000 1.232 456 T CA -0.699 61.421 62.100 0.032 0.000 1.009 456 T CB 1.756 70.635 68.868 0.018 0.000 1.254 456 T HN 0.399 nan 8.240 nan 0.000 0.504 457 T N 1.161 115.746 114.554 0.052 0.000 2.652 457 T HA -0.074 4.276 4.350 0.000 0.000 0.267 457 T C 1.772 176.474 174.700 0.003 0.000 1.039 457 T CA 1.699 63.833 62.100 0.057 0.000 1.153 457 T CB -0.402 68.509 68.868 0.071 0.000 0.863 457 T HN 0.687 nan 8.240 nan 0.000 0.428 458 K N 0.858 121.247 120.400 -0.018 0.000 2.103 458 K HA -0.103 4.217 4.320 0.000 0.000 0.207 458 K C 2.506 179.041 176.600 -0.107 0.000 1.048 458 K CA 1.221 57.473 56.287 -0.058 0.000 0.930 458 K CB -0.154 32.315 32.500 -0.053 0.000 0.716 458 K HN 0.360 nan 8.250 nan 0.000 0.444 459 R N 0.734 121.196 120.500 -0.064 0.000 2.115 459 R HA -0.050 4.290 4.340 0.000 0.000 0.230 459 R C 2.254 178.463 176.300 -0.153 0.000 1.111 459 R CA 0.949 56.968 56.100 -0.135 0.000 0.976 459 R CB -0.494 29.889 30.300 0.137 0.000 0.870 459 R HN 0.128 nan 8.270 nan 0.000 0.445 460 L N 1.079 122.283 121.223 -0.032 0.000 2.131 460 L HA -0.156 4.184 4.340 0.000 0.000 0.210 460 L C 2.242 179.067 176.870 -0.076 0.000 1.092 460 L CA 1.375 56.210 54.840 -0.008 0.000 0.759 460 L CB -0.405 41.675 42.059 0.036 0.000 0.903 460 L HN 0.257 nan 8.230 nan 0.000 0.435 461 E N -0.025 120.111 120.200 -0.106 0.000 2.051 461 E HA -0.226 4.124 4.350 0.000 0.000 0.192 461 E C 2.362 178.838 176.600 -0.208 0.000 0.991 461 E CA 1.051 57.375 56.400 -0.126 0.000 0.799 461 E CB -0.052 29.582 29.700 -0.110 0.000 0.748 461 E HN 0.390 nan 8.360 nan 0.000 0.449 462 R N 0.326 120.622 120.500 -0.339 0.000 2.083 462 R HA -0.142 4.198 4.340 0.000 0.000 0.237 462 R C 2.395 178.426 176.300 -0.448 0.000 1.137 462 R CA 1.232 57.035 56.100 -0.494 0.000 0.951 462 R CB -0.344 29.409 30.300 -0.913 0.000 0.851 462 R HN 0.123 nan 8.270 nan 0.000 0.434 463 A N 0.919 123.535 122.820 -0.339 0.000 1.933 463 A HA -0.165 4.155 4.320 0.000 0.000 0.218 463 A C 2.041 179.557 177.584 -0.114 0.000 1.175 463 A CA 1.145 53.107 52.037 -0.125 0.000 0.628 463 A CB -0.380 18.731 19.000 0.185 0.000 0.814 463 A HN 0.261 nan 8.150 nan 0.000 0.444 464 L N -0.462 120.702 121.223 -0.098 0.000 2.179 464 L HA 0.020 4.360 4.340 0.000 0.000 0.208 464 L C 2.374 179.190 176.870 -0.091 0.000 1.096 464 L CA 2.032 56.835 54.840 -0.062 0.000 0.779 464 L CB -0.500 41.528 42.059 -0.053 0.000 0.922 464 L HN 0.453 nan 8.230 nan 0.000 0.443 465 R N -0.710 119.706 120.500 -0.140 0.000 2.075 465 R HA -0.140 4.200 4.340 0.000 0.000 0.232 465 R C 2.381 178.589 176.300 -0.153 0.000 1.126 465 R CA 1.421 57.443 56.100 -0.130 0.000 0.963 465 R CB -0.097 30.117 30.300 -0.143 0.000 0.858 465 R HN 0.285 nan 8.270 nan 0.000 0.435 466 R N -0.014 120.316 120.500 -0.283 0.000 2.073 466 R HA 0.002 4.342 4.340 0.000 0.000 0.229 466 R C 2.278 178.512 176.300 -0.110 0.000 1.120 466 R CA 1.446 57.334 56.100 -0.354 0.000 0.967 466 R CB -0.221 29.453 30.300 -1.042 0.000 0.862 466 R HN 0.246 nan 8.270 nan 0.000 0.436 467 I N 0.073 120.634 120.570 -0.016 0.000 2.286 467 I HA -0.267 3.903 4.170 0.000 0.000 0.248 467 I C 1.880 178.028 176.117 0.053 0.000 1.115 467 I CA 1.362 62.744 61.300 0.138 0.000 1.392 467 I CB -0.288 37.790 38.000 0.130 0.000 1.065 467 I HN 0.197 nan 8.210 nan 0.000 0.418 468 T N 0.845 115.400 114.554 0.001 0.000 2.746 468 T HA -0.262 4.088 4.350 0.000 0.000 0.267 468 T C 1.866 176.563 174.700 -0.004 0.000 1.039 468 T CA 1.769 63.865 62.100 -0.006 0.000 1.142 468 T CB -0.293 68.561 68.868 -0.024 0.000 0.866 468 T HN 0.404 nan 8.240 nan 0.000 0.444 469 M N 0.783 120.379 119.600 -0.008 0.000 2.080 469 M HA -0.074 4.406 4.480 0.000 0.000 0.260 469 M C 2.078 178.396 176.300 0.030 0.000 1.068 469 M CA 1.699 57.000 55.300 0.002 0.000 1.109 469 M CB -0.414 32.184 32.600 -0.004 0.000 1.342 469 M HN 0.182 nan 8.290 nan 0.000 0.405 470 L N 0.129 121.393 121.223 0.069 0.000 2.013 470 L HA -0.281 4.059 4.340 0.000 0.000 0.212 470 L C 2.621 179.519 176.870 0.047 0.000 1.073 470 L CA 1.880 56.776 54.840 0.093 0.000 0.753 470 L CB -0.788 41.365 42.059 0.157 0.000 0.890 470 L HN 0.516 nan 8.230 nan 0.000 0.432 471 Q N -0.871 118.948 119.800 0.032 0.000 2.083 471 Q HA -0.230 4.111 4.340 0.000 0.000 0.198 471 Q C 2.201 178.180 176.000 -0.035 0.000 0.969 471 Q CA 1.214 57.023 55.803 0.010 0.000 0.838 471 Q CB -0.118 28.631 28.738 0.018 0.000 0.900 471 Q HN 0.537 nan 8.270 nan 0.000 0.436 472 Q N 0.992 120.766 119.800 -0.043 0.000 2.020 472 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 472 Q C 1.974 177.890 176.000 -0.139 0.000 0.982 472 Q CA 1.382 57.134 55.803 -0.085 0.000 0.838 472 Q CB 0.019 28.713 28.738 -0.073 0.000 0.899 472 Q HN 0.361 nan 8.270 nan 0.000 0.423 473 E N 0.159 120.301 120.200 -0.097 0.000 2.171 473 E HA -0.227 4.123 4.350 0.000 0.000 0.197 473 E C 1.911 178.363 176.600 -0.245 0.000 0.997 473 E CA 1.022 57.352 56.400 -0.117 0.000 0.810 473 E CB -0.143 29.587 29.700 0.051 0.000 0.738 473 E HN 0.419 nan 8.360 nan 0.000 0.467 474 I N 1.039 121.485 120.570 -0.207 0.000 2.286 474 I HA -0.217 3.953 4.170 0.000 0.000 0.245 474 I C 1.862 177.811 176.117 -0.279 0.000 1.104 474 I CA 0.750 61.876 61.300 -0.290 0.000 1.397 474 I CB -0.124 37.855 38.000 -0.035 0.000 1.072 474 I HN -0.028 nan 8.210 nan 0.000 0.417 475 D N 0.719 121.001 120.400 -0.197 0.000 2.104 475 D HA -0.259 4.381 4.640 0.000 0.000 0.194 475 D C 1.942 178.068 176.300 -0.290 0.000 0.994 475 D CA 1.532 55.419 54.000 -0.188 0.000 0.830 475 D CB -0.207 40.505 40.800 -0.147 0.000 0.959 475 D HN 0.381 nan 8.370 nan 0.000 0.452 476 E N -0.484 119.492 120.200 -0.374 0.000 2.017 476 E HA -0.204 4.146 4.350 0.000 0.000 0.193 476 E C 1.868 178.141 176.600 -0.545 0.000 0.997 476 E CA 1.226 57.330 56.400 -0.493 0.000 0.804 476 E CB -0.261 29.035 29.700 -0.673 0.000 0.757 476 E HN 0.353 nan 8.360 nan 0.000 0.448 477 Y N -1.518 118.500 120.300 -0.471 0.000 2.420 477 Y HA 0.040 4.590 4.550 -0.000 0.000 0.292 477 Y C 0.329 175.771 175.900 -0.763 0.000 1.119 477 Y CA 0.443 58.189 58.100 -0.590 0.000 1.229 477 Y CB 0.228 38.286 38.460 -0.670 0.000 1.026 477 Y HN 0.121 nan 8.280 nan 0.000 0.554 478 Y N -2.004 118.056 120.300 -0.401 0.000 2.473 478 Y HA 0.720 5.270 4.550 0.000 0.000 0.345 478 Y C 0.704 176.495 175.900 -0.181 0.000 0.932 478 Y CA -1.290 56.525 58.100 -0.476 0.000 1.124 478 Y CB -0.140 38.075 38.460 -0.409 0.000 1.162 478 Y HN 0.003 nan 8.280 nan 0.000 0.629 479 A N -0.863 121.907 122.820 -0.084 0.000 2.055 479 A HA 0.105 4.425 4.320 0.000 0.000 0.205 479 A C 1.231 178.863 177.584 0.080 0.000 1.235 479 A CA 0.613 52.612 52.037 -0.064 0.000 0.822 479 A CB -0.022 18.843 19.000 -0.225 0.000 0.903 479 A HN 0.486 nan 8.150 nan 0.000 0.473 480 H N -1.854 117.315 119.070 0.164 0.000 2.622 480 H HA 0.303 4.859 4.556 0.000 0.000 0.269 480 H C -0.576 174.945 175.328 0.322 0.000 0.977 480 H CA -1.195 54.974 56.048 0.201 0.000 1.179 480 H CB -0.108 29.768 29.762 0.190 0.000 1.458 480 H HN 0.334 nan 8.280 nan 0.000 0.531 481 F N 2.773 122.838 119.950 0.191 0.000 2.538 481 F HA 0.071 4.598 4.527 -0.000 0.000 0.371 481 F C 1.476 177.322 175.800 0.077 0.000 1.087 481 F CA -0.595 57.480 58.000 0.125 0.000 1.250 481 F CB 0.331 39.395 39.000 0.106 0.000 1.110 481 F HN 0.016 nan 8.300 nan 0.000 0.570 482 R N 3.540 124.115 120.500 0.125 0.000 2.494 482 R HA 0.072 4.412 4.340 0.000 0.000 0.291 482 R C -0.783 175.515 176.300 -0.004 0.000 0.953 482 R CA -0.421 55.719 56.100 0.066 0.000 1.098 482 R CB 0.058 30.366 30.300 0.014 0.000 0.911 482 R HN 0.418 nan 8.270 nan 0.000 0.407 483 V N 4.439 124.321 119.914 -0.053 0.000 2.953 483 V HA 0.013 4.133 4.120 0.000 0.000 0.304 483 V C 0.478 176.178 176.094 -0.657 0.000 1.138 483 V CA 1.282 63.369 62.300 -0.354 0.000 1.266 483 V CB 0.774 32.325 31.823 -0.454 0.000 0.923 483 V HN 1.080 nan 8.190 nan 0.000 0.505 484 S N 2.043 117.187 115.700 -0.926 0.000 2.587 484 S HA 0.384 4.854 4.470 0.000 0.000 0.269 484 S C 0.120 174.164 174.600 -0.927 0.000 1.154 484 S CA -0.735 56.786 58.200 -1.131 0.000 0.824 484 S CB 1.406 64.340 63.200 -0.443 0.000 1.118 484 S HN 0.429 nan 8.310 nan 0.000 0.462 485 N N 1.725 120.009 118.700 -0.693 0.000 2.006 485 N HA -0.087 4.653 4.740 0.000 0.000 0.196 485 N C 1.403 176.770 175.510 -0.238 0.000 1.057 485 N CA 2.111 54.993 53.050 -0.279 0.000 0.853 485 N CB -0.955 37.529 38.487 -0.006 0.000 1.051 485 N HN 0.677 nan 8.380 nan 0.000 0.423 486 N N 0.550 119.109 118.700 -0.234 0.000 2.096 486 N HA -0.192 4.548 4.740 0.000 0.000 0.195 486 N C 1.686 177.066 175.510 -0.217 0.000 1.017 486 N CA 0.783 53.676 53.050 -0.260 0.000 0.870 486 N CB -0.647 37.666 38.487 -0.291 0.000 1.024 486 N HN 0.282 nan 8.380 nan 0.000 0.434 487 L N 0.604 121.682 121.223 -0.241 0.000 2.109 487 L HA 0.059 4.399 4.340 0.000 0.000 0.207 487 L C 1.979 178.769 176.870 -0.134 0.000 1.086 487 L CA 1.031 55.751 54.840 -0.199 0.000 0.760 487 L CB -0.311 41.627 42.059 -0.203 0.000 0.910 487 L HN 0.114 nan 8.230 nan 0.000 0.437 488 L N -0.293 120.818 121.223 -0.186 0.000 2.042 488 L HA -0.233 4.107 4.340 0.000 0.000 0.210 488 L C 2.599 179.435 176.870 -0.057 0.000 1.076 488 L CA 1.970 56.731 54.840 -0.131 0.000 0.749 488 L CB -0.570 41.384 42.059 -0.176 0.000 0.893 488 L HN 0.502 nan 8.230 nan 0.000 0.432 489 E N 0.515 120.681 120.200 -0.057 0.000 2.072 489 E HA -0.251 4.099 4.350 0.000 0.000 0.190 489 E C 2.261 178.900 176.600 0.065 0.000 0.982 489 E CA 0.827 57.236 56.400 0.013 0.000 0.803 489 E CB -0.110 29.599 29.700 0.013 0.000 0.755 489 E HN 0.290 nan 8.360 nan 0.000 0.453 490 L N 1.395 122.654 121.223 0.061 0.000 2.079 490 L HA -0.142 4.198 4.340 0.000 0.000 0.210 490 L C 2.354 179.269 176.870 0.075 0.000 1.081 490 L CA 1.691 56.595 54.840 0.106 0.000 0.752 490 L CB -0.257 41.855 42.059 0.087 0.000 0.896 490 L HN 0.048 nan 8.230 nan 0.000 0.433 491 R N -0.621 119.912 120.500 0.054 0.000 2.096 491 R HA -0.127 4.213 4.340 0.000 0.000 0.235 491 R C 2.030 178.358 176.300 0.048 0.000 1.127 491 R CA 1.443 57.580 56.100 0.062 0.000 0.968 491 R CB -0.489 29.847 30.300 0.059 0.000 0.861 491 R HN 0.476 nan 8.270 nan 0.000 0.440 492 N N 0.738 119.460 118.700 0.038 0.000 2.135 492 N HA -0.084 4.656 4.740 0.000 0.000 0.186 492 N C 1.908 177.419 175.510 0.002 0.000 1.027 492 N CA 0.962 54.028 53.050 0.027 0.000 0.849 492 N CB -0.258 38.247 38.487 0.030 0.000 1.002 492 N HN 0.139 nan 8.380 nan 0.000 0.425 493 L N 0.554 121.780 121.223 0.005 0.000 2.013 493 L HA -0.159 4.181 4.340 0.000 0.000 0.212 493 L C 2.187 179.019 176.870 -0.064 0.000 1.073 493 L CA 1.060 55.872 54.840 -0.046 0.000 0.753 493 L CB -0.535 41.490 42.059 -0.058 0.000 0.890 493 L HN 0.002 nan 8.230 nan 0.000 0.432 494 V N -0.423 119.479 119.914 -0.020 0.000 2.407 494 V HA -0.305 3.815 4.120 0.000 0.000 0.248 494 V C 2.400 178.478 176.094 -0.026 0.000 1.055 494 V CA 1.902 64.198 62.300 -0.007 0.000 1.049 494 V CB -0.441 31.408 31.823 0.042 0.000 0.662 494 V HN 0.480 nan 8.190 nan 0.000 0.455 495 Q N 0.392 120.177 119.800 -0.025 0.000 1.993 495 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 495 Q C 2.084 177.997 176.000 -0.145 0.000 0.984 495 Q CA 2.491 58.258 55.803 -0.059 0.000 0.837 495 Q CB -0.677 28.054 28.738 -0.010 0.000 0.902 495 Q HN 0.403 nan 8.270 nan 0.000 0.423 496 V N 1.230 121.067 119.914 -0.128 0.000 2.392 496 V HA -0.295 3.825 4.120 0.000 0.000 0.249 496 V C 2.360 178.348 176.094 -0.177 0.000 1.059 496 V CA 1.792 63.992 62.300 -0.167 0.000 1.051 496 V CB -1.457 30.293 31.823 -0.122 0.000 0.658 496 V HN 0.548 nan 8.190 nan 0.000 0.455 497 A N -0.441 122.293 122.820 -0.144 0.000 1.978 497 A HA -0.290 4.030 4.320 0.000 0.000 0.220 497 A C 2.311 179.835 177.584 -0.099 0.000 1.170 497 A CA 2.011 53.973 52.037 -0.125 0.000 0.636 497 A CB -0.490 18.453 19.000 -0.095 0.000 0.810 497 A HN 0.650 nan 8.150 nan 0.000 0.448 498 E N -0.035 120.096 120.200 -0.116 0.000 2.077 498 E HA -0.166 4.184 4.350 0.000 0.000 0.193 498 E C 1.860 178.336 176.600 -0.206 0.000 0.989 498 E CA 1.216 57.537 56.400 -0.131 0.000 0.800 498 E CB -0.207 29.411 29.700 -0.137 0.000 0.746 498 E HN 0.674 nan 8.360 nan 0.000 0.452 499 L N 0.523 121.558 121.223 -0.313 0.000 2.141 499 L HA -0.126 4.214 4.340 0.000 0.000 0.209 499 L C 2.512 179.237 176.870 -0.241 0.000 1.094 499 L CA 0.598 55.212 54.840 -0.376 0.000 0.763 499 L CB -0.353 41.392 42.059 -0.523 0.000 0.908 499 L HN 0.199 nan 8.230 nan 0.000 0.437 500 I N -0.484 119.975 120.570 -0.186 0.000 2.113 500 I HA -0.261 3.909 4.170 0.000 0.000 0.238 500 I C 2.492 178.544 176.117 -0.109 0.000 1.070 500 I CA 1.269 62.489 61.300 -0.134 0.000 1.332 500 I CB -0.272 37.666 38.000 -0.104 0.000 1.044 500 I HN 0.005 nan 8.210 nan 0.000 0.402 501 V N 0.751 120.620 119.914 -0.076 0.000 2.295 501 V HA -0.271 3.849 4.120 0.000 0.000 0.246 501 V C 2.541 178.590 176.094 -0.074 0.000 1.049 501 V CA 1.827 64.103 62.300 -0.039 0.000 1.024 501 V CB -0.821 31.002 31.823 0.001 0.000 0.648 501 V HN 0.360 nan 8.190 nan 0.000 0.447 502 R N -0.894 119.546 120.500 -0.101 0.000 2.081 502 R HA -0.175 4.165 4.340 0.000 0.000 0.235 502 R C 2.392 178.616 176.300 -0.126 0.000 1.131 502 R CA 1.834 57.873 56.100 -0.100 0.000 0.960 502 R CB -0.820 29.417 30.300 -0.105 0.000 0.856 502 R HN 0.466 nan 8.270 nan 0.000 0.436 503 C N 0.059 119.260 119.300 -0.164 0.000 2.413 503 C HA -0.122 4.338 4.460 0.000 0.000 0.276 503 C C 2.911 177.743 174.990 -0.263 0.000 1.248 503 C CA 0.929 59.824 59.018 -0.205 0.000 1.742 503 C CB -0.941 26.660 27.740 -0.232 0.000 2.017 503 C HN 0.612 nan 8.230 nan 0.000 0.481 504 A N -0.321 122.356 122.820 -0.239 0.000 1.969 504 A HA -0.103 4.217 4.320 0.000 0.000 0.218 504 A C 2.084 179.567 177.584 -0.168 0.000 1.169 504 A CA 1.451 53.317 52.037 -0.284 0.000 0.635 504 A CB -0.504 18.443 19.000 -0.089 0.000 0.810 504 A HN 0.640 nan 8.150 nan 0.000 0.445 505 M N -1.072 118.470 119.600 -0.097 0.000 2.476 505 M HA -0.002 4.478 4.480 0.000 0.000 0.262 505 M C 1.952 178.193 176.300 -0.097 0.000 1.079 505 M CA 0.958 56.225 55.300 -0.056 0.000 1.104 505 M CB -0.330 32.248 32.600 -0.038 0.000 1.409 505 M HN 0.426 nan 8.290 nan 0.000 0.467 506 M N -0.931 118.583 119.600 -0.143 0.000 2.349 506 M HA -0.025 4.455 4.480 0.000 0.000 0.266 506 M C 1.089 177.282 176.300 -0.178 0.000 1.076 506 M CA 0.742 55.958 55.300 -0.140 0.000 1.126 506 M CB -0.200 32.322 32.600 -0.130 0.000 1.392 506 M HN 0.067 nan 8.290 nan 0.000 0.440 507 R N 2.454 122.811 120.500 -0.237 0.000 2.325 507 R HA 0.029 4.369 4.340 0.000 0.000 0.323 507 R C -0.175 175.980 176.300 -0.241 0.000 1.177 507 R CA -0.043 55.922 56.100 -0.227 0.000 1.018 507 R CB 0.332 30.428 30.300 -0.340 0.000 1.070 507 R HN -0.030 nan 8.270 nan 0.000 0.495 508 K N 4.344 124.520 120.400 -0.373 0.000 3.225 508 K HA -0.021 4.299 4.320 0.000 0.000 0.282 508 K C -0.282 176.005 176.600 -0.520 0.000 1.060 508 K CA 0.306 56.079 56.287 -0.856 0.000 1.186 508 K CB -0.439 31.628 32.500 -0.722 0.000 1.214 508 K HN 0.721 nan 8.250 nan 0.000 0.428 509 E N -2.078 118.033 120.200 -0.148 0.000 2.445 509 E HA 0.361 4.711 4.350 0.000 0.000 0.279 509 E C -1.225 175.445 176.600 0.115 0.000 1.018 509 E CA -0.919 55.500 56.400 0.033 0.000 0.816 509 E CB 0.978 30.702 29.700 0.041 0.000 1.356 509 E HN -0.196 nan 8.360 nan 0.000 0.462 510 S N 0.411 116.150 115.700 0.066 0.000 2.448 510 S HA 0.474 4.944 4.470 0.000 0.000 0.320 510 S C -0.785 173.906 174.600 0.153 0.000 1.071 510 S CA -0.647 57.575 58.200 0.038 0.000 1.113 510 S CB 0.430 63.530 63.200 -0.167 0.000 0.972 510 S HN 0.433 nan 8.310 nan 0.000 0.465 511 R N 2.447 123.109 120.500 0.270 0.000 2.535 511 R HA 0.532 4.872 4.340 0.000 0.000 0.274 511 R C 0.592 177.098 176.300 0.343 0.000 1.090 511 R CA 0.243 56.502 56.100 0.266 0.000 0.930 511 R CB 0.958 31.400 30.300 0.237 0.000 1.223 511 R HN 0.838 nan 8.270 nan 0.000 0.441 512 G N 2.932 111.865 108.800 0.221 0.000 2.614 512 G HA2 -0.359 3.601 3.960 0.000 0.000 0.303 512 G HA3 -0.359 3.601 3.960 0.000 0.000 0.303 512 G C 0.496 175.581 174.900 0.308 0.000 1.270 512 G CA 0.413 45.628 45.100 0.192 0.000 0.988 512 G HN 0.563 nan 8.290 nan 0.000 0.551 513 L N 1.601 123.061 121.223 0.396 0.000 2.675 513 L HA 0.172 4.512 4.340 0.000 0.000 0.238 513 L C 1.268 178.421 176.870 0.472 0.000 1.155 513 L CA 0.425 55.511 54.840 0.410 0.000 0.881 513 L CB -0.380 41.920 42.059 0.403 0.000 1.008 513 L HN 0.577 nan 8.230 nan 0.000 0.443 514 H N -0.209 119.089 119.070 0.380 0.000 2.539 514 H HA 0.271 4.827 4.556 -0.000 0.000 0.332 514 H C -1.712 173.787 175.328 0.285 0.000 1.031 514 H CA -0.743 55.439 56.048 0.224 0.000 1.206 514 H CB 1.514 31.292 29.762 0.027 0.000 1.446 514 H HN -0.027 nan 8.280 nan 0.000 0.496 515 F N 4.452 124.235 119.950 -0.278 0.000 2.536 515 F HA 0.297 4.824 4.527 -0.000 0.000 0.322 515 F C -1.075 174.538 175.800 -0.313 0.000 1.144 515 F CA -0.361 57.515 58.000 -0.207 0.000 0.924 515 F CB 1.981 40.935 39.000 -0.076 0.000 1.181 515 F HN 0.454 nan 8.300 nan 0.000 0.438 516 T N 6.656 120.869 114.554 -0.567 0.000 2.881 516 T HA 0.349 4.699 4.350 0.000 0.000 0.290 516 T C 0.837 175.320 174.700 -0.362 0.000 1.000 516 T CA -0.662 61.237 62.100 -0.335 0.000 0.978 516 T CB 1.138 69.884 68.868 -0.202 0.000 0.997 516 T HN 0.694 nan 8.240 nan 0.000 0.443 517 L N 2.494 123.588 121.223 -0.215 0.000 2.353 517 L HA 0.014 4.354 4.340 0.000 0.000 0.220 517 L C 1.509 178.267 176.870 -0.188 0.000 1.133 517 L CA 1.065 55.795 54.840 -0.184 0.000 0.798 517 L CB -0.149 41.874 42.059 -0.059 0.000 0.922 517 L HN 0.719 nan 8.230 nan 0.000 0.445 518 D N -1.087 119.207 120.400 -0.177 0.000 2.340 518 D HA 0.015 4.655 4.640 0.000 0.000 0.220 518 D C -0.386 175.496 176.300 -0.696 0.000 1.039 518 D CA 0.590 54.370 54.000 -0.366 0.000 0.866 518 D CB 0.449 41.033 40.800 -0.359 0.000 0.913 518 D HN 0.328 nan 8.370 nan 0.000 0.523 519 Y N -0.861 119.357 120.300 -0.137 0.000 2.583 519 Y HA 0.196 4.746 4.550 -0.000 0.000 0.303 519 Y C -2.092 173.702 175.900 -0.175 0.000 1.108 519 Y CA -1.314 56.719 58.100 -0.112 0.000 1.252 519 Y CB 1.420 39.843 38.460 -0.063 0.000 1.114 519 Y HN -0.156 nan 8.280 nan 0.000 0.594 520 P HA -0.054 nan 4.420 nan 0.000 0.223 520 P C 0.461 177.716 177.300 -0.075 0.000 1.151 520 P CA 1.028 64.020 63.100 -0.181 0.000 0.787 520 P CB 0.645 32.265 31.700 -0.133 0.000 0.788 521 E N -0.713 119.483 120.200 -0.006 0.000 2.322 521 E HA 0.379 4.729 4.350 0.000 0.000 0.257 521 E C -0.172 176.451 176.600 0.038 0.000 1.155 521 E CA -0.488 55.925 56.400 0.020 0.000 0.936 521 E CB 0.218 29.934 29.700 0.026 0.000 1.130 521 E HN -0.047 nan 8.360 nan 0.000 0.465 522 L N 1.879 123.120 121.223 0.031 0.000 2.307 522 L HA 0.340 4.680 4.340 0.000 0.000 0.282 522 L C -0.225 176.650 176.870 0.009 0.000 1.051 522 L CA -0.566 54.292 54.840 0.030 0.000 0.804 522 L CB 0.666 42.740 42.059 0.025 0.000 1.197 522 L HN 0.333 nan 8.230 nan 0.000 0.431 523 L N 1.829 123.056 121.223 0.006 0.000 2.472 523 L HA 0.126 4.466 4.340 0.000 0.000 0.260 523 L C 1.362 178.186 176.870 -0.077 0.000 1.209 523 L CA 0.107 54.933 54.840 -0.022 0.000 0.817 523 L CB 0.646 42.700 42.059 -0.007 0.000 1.106 523 L HN 0.666 nan 8.230 nan 0.000 0.479 524 T N -1.551 112.898 114.554 -0.175 0.000 3.054 524 T HA 0.020 4.370 4.350 0.000 0.000 0.259 524 T C 0.170 174.567 174.700 -0.506 0.000 1.092 524 T CA 0.770 62.659 62.100 -0.351 0.000 1.121 524 T CB -0.172 68.460 68.868 -0.394 0.000 0.912 524 T HN 0.320 nan 8.240 nan 0.000 0.489 525 H N 0.860 119.942 119.070 0.021 0.000 2.718 525 H HA 0.649 5.205 4.556 -0.000 0.000 0.295 525 H C -0.168 175.173 175.328 0.022 0.000 1.051 525 H CA -0.553 55.507 56.048 0.020 0.000 1.260 525 H CB 1.171 30.942 29.762 0.015 0.000 1.403 525 H HN 0.047 nan 8.280 nan 0.000 0.488 526 S N 1.507 117.279 115.700 0.120 0.000 2.753 526 S HA 0.909 5.379 4.470 0.000 0.000 0.302 526 S C 0.346 174.997 174.600 0.085 0.000 1.104 526 S CA 0.083 58.335 58.200 0.087 0.000 0.968 526 S CB 1.938 65.183 63.200 0.076 0.000 1.278 526 S HN 0.914 nan 8.310 nan 0.000 0.549 527 G N 0.510 109.357 108.800 0.080 0.000 2.321 527 G HA2 0.422 4.382 3.960 0.000 0.000 0.296 527 G HA3 0.422 4.382 3.960 0.000 0.000 0.296 527 G C -3.428 171.522 174.900 0.084 0.000 1.287 527 G CA -0.755 44.391 45.100 0.076 0.000 0.846 527 G HN 0.536 nan 8.290 nan 0.000 0.508 528 P HA 0.405 nan 4.420 nan 0.000 0.272 528 P C -0.275 177.021 177.300 -0.006 0.000 1.230 528 P CA -0.094 63.025 63.100 0.032 0.000 0.788 528 P CB 0.924 32.599 31.700 -0.041 0.000 0.949 529 S N 1.231 116.905 115.700 -0.043 0.000 2.475 529 S HA 0.478 4.948 4.470 0.000 0.000 0.281 529 S C 0.229 174.765 174.600 -0.107 0.000 1.198 529 S CA -0.351 57.797 58.200 -0.087 0.000 1.063 529 S CB -0.183 62.929 63.200 -0.147 0.000 0.972 529 S HN 0.251 nan 8.310 nan 0.000 0.486 530 I N 3.461 123.994 120.570 -0.063 0.000 2.465 530 I HA 0.442 4.612 4.170 0.000 0.000 0.291 530 I C -0.875 175.249 176.117 0.013 0.000 1.014 530 I CA -0.500 60.781 61.300 -0.032 0.000 1.093 530 I CB 1.523 39.520 38.000 -0.006 0.000 1.267 530 I HN 0.323 nan 8.210 nan 0.000 0.431 531 L N 5.380 126.642 121.223 0.066 0.000 2.362 531 L HA 0.573 4.913 4.340 0.000 0.000 0.275 531 L C -0.419 176.643 176.870 0.320 0.000 0.998 531 L CA -0.416 54.525 54.840 0.169 0.000 0.820 531 L CB 2.169 44.300 42.059 0.120 0.000 1.270 531 L HN 0.642 nan 8.230 nan 0.000 0.415 532 S N 2.582 118.433 115.700 0.251 0.000 2.513 532 S HA 0.750 5.220 4.470 0.000 0.000 0.299 532 S C -2.422 172.087 174.600 -0.152 0.000 1.087 532 S CA -1.211 57.041 58.200 0.087 0.000 1.012 532 S CB 1.775 64.978 63.200 0.004 0.000 1.044 532 S HN 0.393 nan 8.310 nan 0.000 0.485 533 P HA 0.000 nan 4.420 nan 0.000 0.216 533 P CA 0.000 62.469 63.100 -1.051 0.000 0.800 533 P CB 0.000 30.920 31.700 -1.300 0.000 0.726