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 1h79_1_A DATA FIRST_RESID 27 DATA SEQUENCE SRVFPTQRDL MAGIVSKHIA KNMVPSFIMK AHESGIIHVH DIDYSPALPF DATA SEQUENCE TNCCLVDLKG MLENGFKLGN AQIETPKSIG VATAIMAQIT AQVASHQYGG DATA SEQUENCE TTFANVDKVL SPYVKRTYAK HIEDAEKWQI ADALNYAQSK TEKDVYDAFQ DATA SEQUENCE AYEYEVNTLF SSNGQTPFVT ITFGTGTDWT ERMIQKAILK NRIKGLGRDG DATA SEQUENCE ITPIFPKLVM FVEEGVNLYK DDPNYDIKQL ALECASKRMY PDIISAKNNK DATA SEQUENCE AITGSSVPVS PMGCRSFLSV WKDSTGNEIL DGRNNLGVVT LNLPRIALDS DATA SEQUENCE YIGTQFNEQK FVELFNERMD LCFEALMCRI SSLKGVKATV APILYQEGAF DATA SEQUENCE GVRLKPDDDI IELFKNGRSS VSLGYIGIHE LNILVGRDIG REILTKMNAH DATA SEQUENCE LKQWTERTGF AFSLYSTPAE NLCYRFCKLD TEKYGSVKDV TDKGWYTNSF DATA SEQUENCE HVSVEENITP FEKISREAPY HFIATGGHIS YVELPDMKNN LKGLEAVWDY DATA SEQUENCE AAQHLDYFGV NMPVDKCFTC GSTHEMTPTE NGFVCSICGE TDPKKMNTIR DATA SEQUENCE RTCAYLGNP 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.561 174.600 -0.065 0.000 1.055 27 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 27 S CB 0.000 63.176 63.200 -0.040 0.000 0.593 28 R N 0.867 121.314 120.500 -0.087 0.000 2.788 28 R HA 0.271 4.611 4.340 -0.000 0.000 0.264 28 R C -0.283 175.889 176.300 -0.213 0.000 1.267 28 R CA -0.277 55.746 56.100 -0.129 0.000 1.213 28 R CB -1.325 28.898 30.300 -0.129 0.000 1.256 28 R HN 0.470 nan 8.270 nan 0.000 0.556 29 V N 2.397 122.215 119.914 -0.161 0.000 2.461 29 V HA 0.059 4.179 4.120 -0.000 0.000 0.275 29 V C 1.288 177.316 176.094 -0.110 0.000 1.047 29 V CA -0.547 61.643 62.300 -0.183 0.000 0.955 29 V CB 0.189 31.965 31.823 -0.078 0.000 0.988 29 V HN 0.057 nan 8.190 nan 0.000 0.471 30 F N 5.520 125.463 119.950 -0.011 0.000 2.048 30 F HA -0.168 4.359 4.527 -0.000 0.000 0.296 30 F C 0.281 176.070 175.800 -0.019 0.000 1.109 30 F CA 2.404 60.396 58.000 -0.014 0.000 1.214 30 F CB -1.922 37.073 39.000 -0.009 0.000 0.963 30 F HN 0.476 nan 8.300 nan 0.000 0.491 31 P HA -0.147 nan 4.420 nan 0.000 0.216 31 P C 1.541 178.862 177.300 0.035 0.000 1.150 31 P CA 2.173 65.321 63.100 0.081 0.000 0.843 31 P CB -0.356 31.374 31.700 0.051 0.000 0.787 32 T N 0.067 114.630 114.554 0.015 0.000 2.737 32 T HA -0.120 4.230 4.350 -0.000 0.000 0.265 32 T C 2.061 176.760 174.700 -0.002 0.000 1.038 32 T CA 1.115 63.207 62.100 -0.013 0.000 1.144 32 T CB -0.561 68.288 68.868 -0.032 0.000 0.866 32 T HN 0.131 nan 8.240 nan 0.000 0.434 33 Q N 0.955 120.766 119.800 0.019 0.000 2.045 33 Q HA -0.108 4.232 4.340 -0.000 0.000 0.206 33 Q C 2.617 178.634 176.000 0.027 0.000 0.991 33 Q CA 1.389 57.209 55.803 0.029 0.000 0.851 33 Q CB -0.345 28.438 28.738 0.075 0.000 0.911 33 Q HN 0.365 nan 8.270 nan 0.000 0.418 34 R N 0.679 121.208 120.500 0.048 0.000 2.091 34 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 34 R C 1.879 178.172 176.300 -0.012 0.000 1.136 34 R CA 1.510 57.623 56.100 0.022 0.000 0.959 34 R CB -0.737 29.579 30.300 0.028 0.000 0.856 34 R HN 0.373 nan 8.270 nan 0.000 0.437 35 D N 0.515 120.904 120.400 -0.017 0.000 2.117 35 D HA -0.092 4.548 4.640 -0.000 0.000 0.197 35 D C 2.070 178.321 176.300 -0.083 0.000 0.987 35 D CA 0.817 54.787 54.000 -0.050 0.000 0.829 35 D CB -0.040 40.739 40.800 -0.034 0.000 0.961 35 D HN 0.082 nan 8.370 nan 0.000 0.460 36 L N -0.279 120.910 121.223 -0.057 0.000 2.079 36 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 36 L C 2.537 179.367 176.870 -0.067 0.000 1.081 36 L CA 0.857 55.660 54.840 -0.063 0.000 0.752 36 L CB -0.399 41.637 42.059 -0.039 0.000 0.896 36 L HN 0.238 nan 8.230 nan 0.000 0.433 37 M N -0.693 118.876 119.600 -0.051 0.000 2.067 37 M HA -0.195 4.285 4.480 -0.000 0.000 0.260 37 M C 2.518 178.778 176.300 -0.066 0.000 1.069 37 M CA 2.018 57.289 55.300 -0.048 0.000 1.117 37 M CB -0.567 32.015 32.600 -0.031 0.000 1.334 37 M HN 0.289 nan 8.290 nan 0.000 0.407 38 A N 0.424 123.195 122.820 -0.082 0.000 2.019 38 A HA -0.025 4.294 4.320 -0.000 0.000 0.219 38 A C 2.313 179.798 177.584 -0.165 0.000 1.164 38 A CA 1.805 53.779 52.037 -0.105 0.000 0.644 38 A CB -1.350 17.585 19.000 -0.109 0.000 0.805 38 A HN 0.588 nan 8.150 nan 0.000 0.449 39 G N -0.174 108.508 108.800 -0.197 0.000 2.403 39 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.216 39 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.216 39 G C 1.489 176.310 174.900 -0.131 0.000 1.154 39 G CA 0.944 45.903 45.100 -0.234 0.000 0.784 39 G HN 0.464 nan 8.290 nan 0.000 0.538 40 I N 0.476 120.994 120.570 -0.086 0.000 2.315 40 I HA -0.129 4.040 4.170 -0.000 0.000 0.248 40 I C 2.687 178.792 176.117 -0.019 0.000 1.117 40 I CA 0.442 61.715 61.300 -0.046 0.000 1.404 40 I CB -0.036 37.939 38.000 -0.042 0.000 1.071 40 I HN 0.015 nan 8.210 nan 0.000 0.419 41 V N -0.133 119.762 119.914 -0.031 0.000 2.427 41 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 41 V C 2.453 178.568 176.094 0.035 0.000 1.051 41 V CA 1.909 64.213 62.300 0.006 0.000 1.048 41 V CB -0.418 31.398 31.823 -0.012 0.000 0.666 41 V HN 0.357 nan 8.190 nan 0.000 0.456 42 S N -0.555 115.127 115.700 -0.030 0.000 2.368 42 S HA -0.186 4.284 4.470 -0.000 0.000 0.224 42 S C 2.010 176.584 174.600 -0.042 0.000 1.029 42 S CA 1.383 59.556 58.200 -0.045 0.000 0.988 42 S CB -0.204 62.921 63.200 -0.124 0.000 0.838 42 S HN 0.539 nan 8.310 nan 0.000 0.462 43 K N 0.574 120.948 120.400 -0.043 0.000 2.026 43 K HA -0.147 4.172 4.320 -0.000 0.000 0.208 43 K C 2.243 178.842 176.600 -0.002 0.000 1.048 43 K CA 1.423 57.688 56.287 -0.036 0.000 0.929 43 K CB -0.321 32.168 32.500 -0.018 0.000 0.713 43 K HN 0.449 nan 8.250 nan 0.000 0.439 44 H N 0.964 120.005 119.070 -0.048 0.000 2.290 44 H HA -0.144 4.411 4.556 -0.000 0.000 0.298 44 H C 2.016 177.324 175.328 -0.033 0.000 1.087 44 H CA 2.036 58.063 56.048 -0.034 0.000 1.291 44 H CB -0.096 29.648 29.762 -0.029 0.000 1.369 44 H HN 0.143 nan 8.280 nan 0.000 0.492 45 I N 1.022 121.565 120.570 -0.046 0.000 2.208 45 I HA -0.290 3.879 4.170 -0.000 0.000 0.245 45 I C 3.064 179.101 176.117 -0.133 0.000 1.097 45 I CA 1.049 62.287 61.300 -0.103 0.000 1.363 45 I CB -0.601 37.399 38.000 0.001 0.000 1.051 45 I HN 0.313 nan 8.210 nan 0.000 0.413 46 A N 0.671 123.429 122.820 -0.103 0.000 1.948 46 A HA -0.300 4.020 4.320 -0.000 0.000 0.220 46 A C 2.273 179.777 177.584 -0.132 0.000 1.177 46 A CA 2.072 54.042 52.037 -0.112 0.000 0.636 46 A CB -0.561 18.365 19.000 -0.124 0.000 0.815 46 A HN 0.305 nan 8.150 nan 0.000 0.449 47 K N -0.125 120.182 120.400 -0.155 0.000 2.360 47 K HA -0.050 4.270 4.320 -0.000 0.000 0.201 47 K C 0.937 177.445 176.600 -0.153 0.000 1.046 47 K CA 1.413 57.611 56.287 -0.149 0.000 0.945 47 K CB -0.214 32.192 32.500 -0.155 0.000 0.750 47 K HN 0.725 nan 8.250 nan 0.000 0.464 48 N N -1.055 117.537 118.700 -0.180 0.000 2.203 48 N HA 0.132 4.872 4.740 -0.000 0.000 0.207 48 N C 0.666 176.124 175.510 -0.086 0.000 1.130 48 N CA -0.020 52.949 53.050 -0.136 0.000 0.861 48 N CB 0.479 38.867 38.487 -0.164 0.000 1.005 48 N HN 0.119 nan 8.380 nan 0.000 0.507 49 M N -0.163 119.386 119.600 -0.085 0.000 2.532 49 M HA 0.160 4.640 4.480 -0.000 0.000 0.244 49 M C 0.068 176.328 176.300 -0.066 0.000 1.390 49 M CA 0.323 55.586 55.300 -0.062 0.000 1.132 49 M CB 1.145 33.710 32.600 -0.058 0.000 1.466 49 M HN -0.195 nan 8.290 nan 0.000 0.550 50 V N 3.056 122.916 119.914 -0.091 0.000 2.488 50 V HA 0.193 4.313 4.120 -0.000 0.000 0.277 50 V C -2.186 173.848 176.094 -0.101 0.000 1.046 50 V CA -1.341 60.890 62.300 -0.115 0.000 0.986 50 V CB 0.282 32.010 31.823 -0.158 0.000 0.989 50 V HN 0.078 nan 8.190 nan 0.000 0.475 51 P HA -0.009 nan 4.420 nan 0.000 0.264 51 P C 1.053 178.315 177.300 -0.063 0.000 1.183 51 P CA 0.475 63.563 63.100 -0.019 0.000 0.763 51 P CB 0.581 32.327 31.700 0.077 0.000 0.807 52 S N 3.233 118.966 115.700 0.055 0.000 2.372 52 S HA -0.233 4.237 4.470 -0.000 0.000 0.227 52 S C 1.626 176.274 174.600 0.080 0.000 1.044 52 S CA 1.976 60.212 58.200 0.060 0.000 1.050 52 S CB -0.930 62.325 63.200 0.093 0.000 0.901 52 S HN 0.565 nan 8.310 nan 0.000 0.447 53 F N 0.893 120.848 119.950 0.008 0.000 2.269 53 F HA 0.099 4.626 4.527 -0.000 0.000 0.301 53 F C 1.710 177.524 175.800 0.024 0.000 1.082 53 F CA 0.793 58.802 58.000 0.016 0.000 1.360 53 F CB -0.633 38.375 39.000 0.013 0.000 1.041 53 F HN 0.229 nan 8.300 nan 0.000 0.512 54 I N -0.330 119.762 120.570 -0.796 0.000 2.277 54 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 54 I C 2.479 178.471 176.117 -0.209 0.000 1.094 54 I CA 0.774 61.708 61.300 -0.610 0.000 1.393 54 I CB -0.478 37.108 38.000 -0.691 0.000 1.078 54 I HN 0.154 nan 8.210 nan 0.000 0.417 55 M N 0.867 120.375 119.600 -0.152 0.000 2.065 55 M HA -0.184 4.296 4.480 -0.000 0.000 0.259 55 M C 2.296 178.625 176.300 0.048 0.000 1.069 55 M CA 1.774 57.057 55.300 -0.029 0.000 1.110 55 M CB -1.012 31.566 32.600 -0.036 0.000 1.328 55 M HN 0.107 nan 8.290 nan 0.000 0.405 56 K N 0.165 120.583 120.400 0.031 0.000 2.074 56 K HA -0.111 4.209 4.320 -0.000 0.000 0.209 56 K C 2.023 178.662 176.600 0.064 0.000 1.048 56 K CA 1.750 58.069 56.287 0.054 0.000 0.926 56 K CB -1.017 31.523 32.500 0.068 0.000 0.713 56 K HN 0.396 nan 8.250 nan 0.000 0.444 57 A N 0.762 123.621 122.820 0.065 0.000 1.898 57 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 57 A C 2.153 179.804 177.584 0.111 0.000 1.181 57 A CA 1.985 54.071 52.037 0.082 0.000 0.620 57 A CB -0.706 18.336 19.000 0.071 0.000 0.819 57 A HN 0.523 nan 8.150 nan 0.000 0.442 58 H N -0.793 118.293 119.070 0.027 0.000 2.395 58 H HA -0.046 4.510 4.556 -0.000 0.000 0.299 58 H C 1.912 177.293 175.328 0.087 0.000 1.070 58 H CA 1.867 57.949 56.048 0.057 0.000 1.356 58 H CB -0.025 29.717 29.762 -0.033 0.000 1.401 58 H HN 0.378 nan 8.280 nan 0.000 0.524 59 E N 0.002 120.202 120.200 0.000 0.000 2.150 59 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 59 E C 2.237 178.816 176.600 -0.034 0.000 0.985 59 E CA 1.352 57.729 56.400 -0.038 0.000 0.814 59 E CB -0.147 29.578 29.700 0.041 0.000 0.752 59 E HN 0.613 nan 8.360 nan 0.000 0.466 60 S N -2.129 113.577 115.700 0.010 0.000 2.558 60 S HA 0.229 4.699 4.470 -0.000 0.000 0.217 60 S C 1.568 176.203 174.600 0.059 0.000 0.975 60 S CA 0.430 58.646 58.200 0.026 0.000 0.912 60 S CB 0.514 63.735 63.200 0.035 0.000 0.776 60 S HN 0.339 nan 8.310 nan 0.000 0.526 61 G N 1.100 109.957 108.800 0.095 0.000 2.159 61 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.227 61 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.227 61 G C 0.509 175.505 174.900 0.160 0.000 0.986 61 G CA 0.224 45.467 45.100 0.240 0.000 0.651 61 G HN 0.521 nan 8.290 nan 0.000 0.523 62 I N 0.625 121.260 120.570 0.108 0.000 2.353 62 I HA 0.206 4.376 4.170 -0.000 0.000 0.248 62 I C 1.641 177.791 176.117 0.054 0.000 1.119 62 I CA 1.695 63.019 61.300 0.041 0.000 1.417 62 I CB -0.085 37.953 38.000 0.063 0.000 1.078 62 I HN 0.568 nan 8.210 nan 0.000 0.421 63 I N -3.527 117.168 120.570 0.209 0.000 3.264 63 I HA 0.526 4.696 4.170 -0.000 0.000 0.315 63 I C -0.964 175.468 176.117 0.524 0.000 1.154 63 I CA -0.902 60.592 61.300 0.323 0.000 0.962 63 I CB 2.346 40.474 38.000 0.213 0.000 1.265 63 I HN -0.206 nan 8.210 nan 0.000 0.463 64 H N 1.430 120.732 119.070 0.387 0.000 3.013 64 H HA 0.566 5.122 4.556 -0.000 0.000 0.326 64 H C -1.748 173.679 175.328 0.163 0.000 0.973 64 H CA -0.440 55.754 56.048 0.243 0.000 1.369 64 H CB 1.750 31.405 29.762 -0.177 0.000 1.598 64 H HN 0.506 nan 8.280 nan 0.000 0.518 65 V N 6.826 126.620 119.914 -0.200 0.000 2.387 65 V HA 0.090 4.210 4.120 -0.000 0.000 0.260 65 V C 0.718 176.413 176.094 -0.665 0.000 1.054 65 V CA -0.364 61.681 62.300 -0.424 0.000 0.967 65 V CB -0.269 31.217 31.823 -0.563 0.000 1.036 65 V HN 0.796 nan 8.190 nan 0.000 0.481 66 H N 4.318 123.167 119.070 -0.369 0.000 2.771 66 H HA 0.060 4.615 4.556 -0.000 0.000 0.364 66 H C 0.707 175.846 175.328 -0.316 0.000 1.133 66 H CA 0.470 56.357 56.048 -0.269 0.000 1.423 66 H CB 0.633 30.352 29.762 -0.071 0.000 1.425 66 H HN 0.751 nan 8.280 nan 0.000 0.606 67 D N 1.303 121.606 120.400 -0.162 0.000 2.792 67 D HA -0.229 4.411 4.640 -0.000 0.000 0.231 67 D C 1.244 177.371 176.300 -0.287 0.000 1.160 67 D CA 0.379 54.187 54.000 -0.320 0.000 0.697 67 D CB -0.897 39.343 40.800 -0.935 0.000 1.070 67 D HN 0.435 nan 8.370 nan 0.000 0.426 68 I N 1.302 121.724 120.570 -0.247 0.000 2.850 68 I HA -0.209 3.961 4.170 -0.000 0.000 0.266 68 I C 1.720 177.735 176.117 -0.170 0.000 1.257 68 I CA 1.458 62.613 61.300 -0.242 0.000 1.465 68 I CB 0.082 37.888 38.000 -0.324 0.000 1.091 68 I HN 0.064 nan 8.210 nan 0.000 0.467 69 D N -2.037 118.273 120.400 -0.150 0.000 2.340 69 D HA -0.115 4.525 4.640 -0.000 0.000 0.220 69 D C 1.246 177.291 176.300 -0.425 0.000 1.039 69 D CA 0.703 54.568 54.000 -0.224 0.000 0.866 69 D CB -0.221 40.455 40.800 -0.208 0.000 0.913 69 D HN 0.406 nan 8.370 nan 0.000 0.523 70 Y N -0.020 120.127 120.300 -0.255 0.000 2.921 70 Y HA 0.238 4.788 4.550 -0.000 0.000 0.246 70 Y C 1.132 176.987 175.900 -0.075 0.000 1.030 70 Y CA -0.151 57.782 58.100 -0.278 0.000 1.338 70 Y CB 0.430 38.575 38.460 -0.525 0.000 1.493 70 Y HN -0.111 nan 8.280 nan 0.000 0.452 71 S N 1.800 117.514 115.700 0.025 0.000 2.537 71 S HA 0.344 4.814 4.470 -0.000 0.000 0.301 71 S C -2.349 172.227 174.600 -0.040 0.000 1.092 71 S CA -1.948 56.300 58.200 0.080 0.000 1.048 71 S CB 1.390 64.674 63.200 0.140 0.000 1.053 71 S HN 0.014 nan 8.310 nan 0.000 0.501 72 P HA 0.243 nan 4.420 nan 0.000 0.261 72 P C 0.887 178.220 177.300 0.056 0.000 1.352 72 P CA 0.013 63.134 63.100 0.034 0.000 0.891 72 P CB 0.001 31.693 31.700 -0.013 0.000 1.383 73 A N 0.626 123.476 122.820 0.051 0.000 1.892 73 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 73 A C 1.285 178.934 177.584 0.107 0.000 1.188 73 A CA 1.248 53.319 52.037 0.056 0.000 0.631 73 A CB -0.918 18.106 19.000 0.039 0.000 0.822 73 A HN 0.273 nan 8.150 nan 0.000 0.447 74 L N -0.776 120.576 121.223 0.215 0.000 2.342 74 L HA 0.349 4.688 4.340 -0.000 0.000 0.271 74 L C -2.105 174.904 176.870 0.232 0.000 1.008 74 L CA -2.230 52.740 54.840 0.217 0.000 0.818 74 L CB 2.142 44.406 42.059 0.340 0.000 1.296 74 L HN 0.020 nan 8.230 nan 0.000 0.427 75 P HA 0.044 nan 4.420 nan 0.000 0.238 75 P C -0.394 176.973 177.300 0.111 0.000 1.714 75 P CA 0.028 63.181 63.100 0.088 0.000 0.908 75 P CB -0.549 31.170 31.700 0.031 0.000 1.893 76 F N 1.074 121.131 119.950 0.178 0.000 2.444 76 F HA 0.190 4.717 4.527 -0.000 0.000 0.331 76 F C 1.984 177.803 175.800 0.031 0.000 1.167 76 F CA 0.438 58.529 58.000 0.153 0.000 1.262 76 F CB 0.427 39.601 39.000 0.289 0.000 1.196 76 F HN -0.002 nan 8.300 nan 0.000 0.583 77 T N -1.506 113.067 114.554 0.031 0.000 2.870 77 T HA 0.372 4.722 4.350 -0.000 0.000 0.277 77 T C 0.211 174.418 174.700 -0.822 0.000 1.000 77 T CA -0.770 61.173 62.100 -0.263 0.000 0.982 77 T CB 1.672 70.410 68.868 -0.216 0.000 1.249 77 T HN 0.479 nan 8.240 nan 0.000 0.589 78 N N -0.684 117.576 118.700 -0.734 0.000 1.903 78 N HA 0.215 4.955 4.740 -0.000 0.000 0.238 78 N C 0.584 175.784 175.510 -0.517 0.000 1.090 78 N CA 0.335 52.884 53.050 -0.834 0.000 1.095 78 N CB -0.447 37.820 38.487 -0.366 0.000 1.462 78 N HN 1.011 nan 8.380 nan 0.000 0.536 79 C N -0.718 118.361 119.300 -0.369 0.000 2.380 79 C HA 0.911 5.371 4.460 -0.000 0.000 0.393 79 C C 0.563 175.384 174.990 -0.281 0.000 1.284 79 C CA -1.142 57.706 59.018 -0.283 0.000 2.033 79 C CB 0.054 27.633 27.740 -0.267 0.000 2.165 79 C HN 0.772 nan 8.230 nan 0.000 0.540 80 C N -0.803 118.357 119.300 -0.234 0.000 3.231 80 C HA 0.657 5.117 4.460 -0.000 0.000 0.343 80 C C -1.466 173.398 174.990 -0.210 0.000 1.349 80 C CA -0.880 57.995 59.018 -0.239 0.000 1.209 80 C CB -0.004 27.639 27.740 -0.161 0.000 1.475 80 C HN 1.081 nan 8.230 nan 0.000 0.460 81 L N 2.548 123.655 121.223 -0.193 0.000 2.294 81 L HA 0.561 4.901 4.340 -0.000 0.000 0.283 81 L C -0.063 176.724 176.870 -0.139 0.000 1.015 81 L CA -0.548 54.193 54.840 -0.165 0.000 0.831 81 L CB 1.580 43.574 42.059 -0.108 0.000 1.217 81 L HN 0.697 nan 8.230 nan 0.000 0.420 82 V N 1.964 121.733 119.914 -0.242 0.000 2.637 82 V HA -0.022 4.098 4.120 -0.000 0.000 0.296 82 V C 0.608 176.680 176.094 -0.036 0.000 1.046 82 V CA -0.191 61.999 62.300 -0.184 0.000 1.066 82 V CB 1.245 32.808 31.823 -0.434 0.000 0.968 82 V HN 0.645 nan 8.190 nan 0.000 0.483 83 D N 3.572 123.975 120.400 0.005 0.000 2.934 83 D HA 0.044 4.684 4.640 -0.000 0.000 0.237 83 D C 1.078 177.405 176.300 0.044 0.000 1.158 83 D CA -0.192 53.830 54.000 0.035 0.000 0.971 83 D CB 0.166 40.987 40.800 0.035 0.000 1.123 83 D HN 0.511 nan 8.370 nan 0.000 0.467 84 L N 1.435 122.724 121.223 0.111 0.000 2.079 84 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 84 L C 2.149 179.074 176.870 0.091 0.000 1.081 84 L CA 1.630 56.543 54.840 0.123 0.000 0.752 84 L CB -0.295 41.912 42.059 0.247 0.000 0.896 84 L HN 0.063 nan 8.230 nan 0.000 0.433 85 K N -0.282 120.184 120.400 0.109 0.000 2.063 85 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 85 K C 1.908 178.570 176.600 0.103 0.000 1.048 85 K CA 1.597 57.953 56.287 0.115 0.000 0.928 85 K CB -0.679 31.881 32.500 0.100 0.000 0.713 85 K HN 0.541 nan 8.250 nan 0.000 0.442 86 G N 0.572 109.419 108.800 0.078 0.000 2.448 86 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 86 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 86 G C 1.562 176.509 174.900 0.079 0.000 1.135 86 G CA 0.324 45.468 45.100 0.074 0.000 0.784 86 G HN 0.222 nan 8.290 nan 0.000 0.543 87 M N -0.135 119.492 119.600 0.046 0.000 2.156 87 M HA 0.176 4.656 4.480 -0.000 0.000 0.264 87 M C 2.410 178.842 176.300 0.219 0.000 1.067 87 M CA 0.947 56.278 55.300 0.052 0.000 1.131 87 M CB -0.179 32.261 32.600 -0.267 0.000 1.368 87 M HN 0.137 nan 8.290 nan 0.000 0.416 88 L N -0.599 120.716 121.223 0.153 0.000 2.156 88 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 88 L C 2.086 179.067 176.870 0.186 0.000 1.095 88 L CA 1.051 55.984 54.840 0.155 0.000 0.770 88 L CB -0.592 41.505 42.059 0.063 0.000 0.914 88 L HN 0.340 nan 8.230 nan 0.000 0.439 89 E N 0.333 120.640 120.200 0.178 0.000 2.076 89 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 89 E C 1.336 178.009 176.600 0.120 0.000 0.979 89 E CA 1.070 57.563 56.400 0.154 0.000 0.807 89 E CB -0.011 29.762 29.700 0.122 0.000 0.761 89 E HN 0.502 nan 8.360 nan 0.000 0.454 90 N N -0.467 118.305 118.700 0.120 0.000 2.325 90 N HA 0.130 4.870 4.740 -0.000 0.000 0.182 90 N C -0.080 175.494 175.510 0.107 0.000 1.088 90 N CA 0.622 53.733 53.050 0.101 0.000 0.879 90 N CB 1.465 40.007 38.487 0.091 0.000 0.983 90 N HN 0.165 nan 8.380 nan 0.000 0.471 91 G N 0.544 109.436 108.800 0.152 0.000 2.733 91 G HA2 0.012 3.972 3.960 -0.000 0.000 0.686 91 G HA3 0.012 3.972 3.960 -0.000 0.000 0.686 91 G C -0.727 174.302 174.900 0.216 0.000 1.373 91 G CA -0.351 44.819 45.100 0.117 0.000 0.838 91 G HN 0.338 nan 8.290 nan 0.000 0.588 92 F N -1.844 118.101 119.950 -0.008 0.000 2.741 92 F HA 0.826 5.353 4.527 -0.000 0.000 0.311 92 F C -0.660 175.127 175.800 -0.022 0.000 1.149 92 F CA -1.644 56.347 58.000 -0.015 0.000 0.930 92 F CB 1.048 40.036 39.000 -0.020 0.000 1.312 92 F HN 0.561 nan 8.300 nan 0.000 0.450 93 K N 1.611 122.045 120.400 0.058 0.000 2.172 93 K HA 0.621 4.941 4.320 -0.000 0.000 0.276 93 K C -1.615 175.034 176.600 0.082 0.000 1.013 93 K CA -0.882 55.373 56.287 -0.055 0.000 0.913 93 K CB 2.035 34.534 32.500 -0.002 0.000 1.055 93 K HN 0.670 nan 8.250 nan 0.000 0.461 94 L N 2.758 123.955 121.223 -0.043 0.000 2.433 94 L HA 0.308 4.647 4.340 -0.000 0.000 0.256 94 L C 0.172 177.047 176.870 0.008 0.000 1.063 94 L CA 0.652 55.537 54.840 0.076 0.000 0.922 94 L CB 0.621 42.741 42.059 0.102 0.000 1.238 94 L HN 0.985 nan 8.230 nan 0.000 0.466 95 G N 3.280 112.089 108.800 0.016 0.000 2.662 95 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.236 95 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.236 95 G C 0.504 175.398 174.900 -0.010 0.000 1.212 95 G CA 0.181 45.283 45.100 0.004 0.000 0.968 95 G HN 0.437 nan 8.290 nan 0.000 0.576 96 N N 1.759 120.448 118.700 -0.019 0.000 2.220 96 N HA 0.402 5.142 4.740 -0.000 0.000 0.195 96 N C 0.852 176.336 175.510 -0.044 0.000 1.123 96 N CA 0.797 53.832 53.050 -0.025 0.000 0.874 96 N CB 0.854 39.330 38.487 -0.018 0.000 0.995 96 N HN 0.994 nan 8.380 nan 0.000 0.498 97 A N 1.145 123.929 122.820 -0.059 0.000 2.404 97 A HA 0.180 4.499 4.320 -0.000 0.000 0.273 97 A C 0.287 177.785 177.584 -0.143 0.000 1.144 97 A CA -0.063 51.921 52.037 -0.089 0.000 0.806 97 A CB 0.278 19.224 19.000 -0.089 0.000 1.080 97 A HN 0.059 nan 8.150 nan 0.000 0.509 98 Q N 3.215 122.933 119.800 -0.136 0.000 2.441 98 Q HA 0.353 4.693 4.340 -0.000 0.000 0.234 98 Q C -0.372 175.492 176.000 -0.226 0.000 1.078 98 Q CA -0.271 55.430 55.803 -0.171 0.000 0.907 98 Q CB -0.089 28.588 28.738 -0.102 0.000 1.269 98 Q HN 0.593 nan 8.270 nan 0.000 0.502 99 I N 2.518 122.848 120.570 -0.401 0.000 2.696 99 I HA 0.147 4.317 4.170 -0.000 0.000 0.284 99 I C 0.667 176.622 176.117 -0.269 0.000 1.129 99 I CA 0.213 61.271 61.300 -0.402 0.000 1.410 99 I CB 0.404 37.977 38.000 -0.711 0.000 1.399 99 I HN 0.648 nan 8.210 nan 0.000 0.579 100 E N 2.599 122.707 120.200 -0.154 0.000 2.281 100 E HA 0.360 4.710 4.350 -0.000 0.000 0.262 100 E C -0.587 175.995 176.600 -0.030 0.000 0.933 100 E CA -0.902 55.456 56.400 -0.069 0.000 0.809 100 E CB 1.149 30.824 29.700 -0.041 0.000 1.242 100 E HN 0.452 nan 8.360 nan 0.000 0.418 101 T N 3.575 118.145 114.554 0.028 0.000 2.891 101 T HA 0.016 4.366 4.350 -0.000 0.000 0.296 101 T C -2.231 172.494 174.700 0.040 0.000 1.025 101 T CA -0.621 61.524 62.100 0.075 0.000 1.149 101 T CB -0.212 68.748 68.868 0.154 0.000 1.007 101 T HN 0.184 nan 8.240 nan 0.000 0.528 102 P HA 0.175 nan 4.420 nan 0.000 0.268 102 P C 0.222 177.577 177.300 0.091 0.000 1.208 102 P CA -0.244 62.798 63.100 -0.097 0.000 0.777 102 P CB 0.504 31.954 31.700 -0.418 0.000 0.875 103 K N -0.166 120.273 120.400 0.065 0.000 2.387 103 K HA 0.245 4.565 4.320 -0.000 0.000 0.203 103 K C -0.127 176.533 176.600 0.100 0.000 1.030 103 K CA 0.092 56.438 56.287 0.097 0.000 1.099 103 K CB 0.253 32.783 32.500 0.049 0.000 0.863 103 K HN 0.564 nan 8.250 nan 0.000 0.529 104 S N -1.835 113.925 115.700 0.100 0.000 2.587 104 S HA 0.272 4.742 4.470 -0.000 0.000 0.269 104 S C 0.339 174.991 174.600 0.087 0.000 1.154 104 S CA -0.893 57.362 58.200 0.091 0.000 0.824 104 S CB 0.556 63.777 63.200 0.035 0.000 1.118 104 S HN -0.095 nan 8.310 nan 0.000 0.462 105 I N 2.225 122.856 120.570 0.102 0.000 2.252 105 I HA 0.152 4.322 4.170 -0.000 0.000 0.245 105 I C 2.242 178.326 176.117 -0.055 0.000 1.102 105 I CA 2.218 63.557 61.300 0.065 0.000 1.385 105 I CB -1.077 36.983 38.000 0.100 0.000 1.064 105 I HN 0.969 nan 8.210 nan 0.000 0.414 106 G N -0.184 108.596 108.800 -0.034 0.000 2.446 106 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.217 106 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.217 106 G C 1.682 176.523 174.900 -0.099 0.000 1.168 106 G CA 1.201 46.259 45.100 -0.070 0.000 0.771 106 G HN 0.356 nan 8.290 nan 0.000 0.551 107 V N 1.236 121.100 119.914 -0.083 0.000 2.626 107 V HA -0.016 4.104 4.120 -0.000 0.000 0.252 107 V C 3.178 179.176 176.094 -0.159 0.000 1.067 107 V CA 1.678 63.919 62.300 -0.098 0.000 1.081 107 V CB -0.367 31.411 31.823 -0.075 0.000 0.686 107 V HN 0.495 nan 8.190 nan 0.000 0.468 108 A N 0.790 123.473 122.820 -0.227 0.000 1.897 108 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 108 A C 2.504 179.910 177.584 -0.296 0.000 1.181 108 A CA 2.209 54.035 52.037 -0.352 0.000 0.620 108 A CB -0.854 17.845 19.000 -0.502 0.000 0.821 108 A HN 0.600 nan 8.150 nan 0.000 0.443 109 T N -2.564 111.807 114.554 -0.304 0.000 2.951 109 T HA 0.189 4.539 4.350 -0.000 0.000 0.268 109 T C 1.860 176.469 174.700 -0.153 0.000 1.073 109 T CA 1.404 63.293 62.100 -0.352 0.000 1.134 109 T CB -0.359 68.190 68.868 -0.531 0.000 0.884 109 T HN 0.475 nan 8.240 nan 0.000 0.479 110 A N 1.582 124.331 122.820 -0.119 0.000 1.898 110 A HA 0.197 4.517 4.320 -0.000 0.000 0.216 110 A C 2.363 179.927 177.584 -0.034 0.000 1.181 110 A CA 1.140 53.145 52.037 -0.053 0.000 0.620 110 A CB -0.746 18.222 19.000 -0.054 0.000 0.819 110 A HN 0.578 nan 8.150 nan 0.000 0.442 111 I N -1.006 119.528 120.570 -0.060 0.000 2.315 111 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 111 I C 2.685 178.792 176.117 -0.016 0.000 1.117 111 I CA 1.689 62.985 61.300 -0.006 0.000 1.404 111 I CB -0.249 37.747 38.000 -0.006 0.000 1.071 111 I HN 0.474 nan 8.210 nan 0.000 0.419 112 M N 0.838 120.365 119.600 -0.122 0.000 2.065 112 M HA -0.240 4.240 4.480 -0.000 0.000 0.259 112 M C 2.463 178.743 176.300 -0.032 0.000 1.069 112 M CA 2.341 57.495 55.300 -0.243 0.000 1.110 112 M CB -0.156 32.130 32.600 -0.523 0.000 1.328 112 M HN 0.250 nan 8.290 nan 0.000 0.405 113 A N -0.118 122.778 122.820 0.127 0.000 1.883 113 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 113 A C 1.910 179.530 177.584 0.061 0.000 1.186 113 A CA 2.131 54.232 52.037 0.108 0.000 0.624 113 A CB -0.946 18.060 19.000 0.010 0.000 0.822 113 A HN 0.724 nan 8.150 nan 0.000 0.444 114 Q N -0.681 119.152 119.800 0.055 0.000 2.124 114 Q HA -0.084 4.255 4.340 -0.000 0.000 0.202 114 Q C 1.990 178.047 176.000 0.095 0.000 0.977 114 Q CA 1.569 57.413 55.803 0.068 0.000 0.850 114 Q CB -0.276 28.507 28.738 0.076 0.000 0.901 114 Q HN 0.757 nan 8.270 nan 0.000 0.429 115 I N -0.035 120.598 120.570 0.105 0.000 2.353 115 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 115 I C 1.952 178.177 176.117 0.179 0.000 1.119 115 I CA 1.046 62.407 61.300 0.101 0.000 1.417 115 I CB -0.288 37.753 38.000 0.069 0.000 1.078 115 I HN 0.241 nan 8.210 nan 0.000 0.421 116 T N 1.007 115.727 114.554 0.276 0.000 2.720 116 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 116 T C 2.058 176.843 174.700 0.141 0.000 1.037 116 T CA 1.502 63.791 62.100 0.314 0.000 1.144 116 T CB -0.348 68.719 68.868 0.331 0.000 0.864 116 T HN 0.478 nan 8.240 nan 0.000 0.444 117 A N 1.387 124.265 122.820 0.097 0.000 1.902 117 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 117 A C 2.434 180.071 177.584 0.089 0.000 1.181 117 A CA 1.137 53.214 52.037 0.067 0.000 0.623 117 A CB -0.476 18.555 19.000 0.053 0.000 0.818 117 A HN 0.328 nan 8.150 nan 0.000 0.443 118 Q N -0.206 119.649 119.800 0.092 0.000 1.967 118 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 118 Q C 2.411 178.497 176.000 0.143 0.000 0.985 118 Q CA 1.736 57.602 55.803 0.104 0.000 0.839 118 Q CB -1.031 27.707 28.738 0.000 0.000 0.906 118 Q HN 0.445 nan 8.270 nan 0.000 0.423 119 V N 1.677 121.613 119.914 0.036 0.000 2.282 119 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 119 V C 2.465 178.595 176.094 0.060 0.000 1.057 119 V CA 2.036 64.335 62.300 -0.002 0.000 1.032 119 V CB -1.286 30.498 31.823 -0.065 0.000 0.645 119 V HN 0.402 nan 8.190 nan 0.000 0.447 120 A N 0.023 122.873 122.820 0.051 0.000 1.986 120 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 120 A C 2.284 179.892 177.584 0.040 0.000 1.171 120 A CA 2.349 54.398 52.037 0.021 0.000 0.640 120 A CB -0.604 18.388 19.000 -0.013 0.000 0.811 120 A HN 0.601 nan 8.150 nan 0.000 0.451 121 S N -1.259 114.497 115.700 0.093 0.000 2.603 121 S HA 0.050 4.520 4.470 -0.000 0.000 0.220 121 S C 0.731 175.260 174.600 -0.118 0.000 0.967 121 S CA 0.694 58.906 58.200 0.020 0.000 0.920 121 S CB -0.257 62.940 63.200 -0.005 0.000 0.773 121 S HN 0.789 nan 8.310 nan 0.000 0.529 122 H N 1.401 120.535 119.070 0.108 0.000 2.785 122 H HA 0.327 4.883 4.556 -0.000 0.000 0.268 122 H C 0.252 175.704 175.328 0.206 0.000 1.153 122 H CA -0.324 55.795 56.048 0.117 0.000 1.111 122 H CB 0.368 30.101 29.762 -0.049 0.000 1.633 122 H HN 0.512 nan 8.280 nan 0.000 0.576 123 Q N -0.593 119.370 119.800 0.272 0.000 2.386 123 Q HA 0.148 4.488 4.340 -0.000 0.000 0.274 123 Q C -0.609 175.323 176.000 -0.113 0.000 1.011 123 Q CA -1.089 54.786 55.803 0.120 0.000 0.867 123 Q CB 0.772 29.484 28.738 -0.044 0.000 1.409 123 Q HN 0.231 nan 8.270 nan 0.000 0.395 124 Y N 0.009 120.150 120.300 -0.265 0.000 2.544 124 Y HA 0.436 4.985 4.550 -0.000 0.000 0.286 124 Y C 0.602 176.301 175.900 -0.336 0.000 1.141 124 Y CA 0.053 57.766 58.100 -0.645 0.000 1.299 124 Y CB -0.078 37.719 38.460 -1.105 0.000 1.030 124 Y HN 0.612 nan 8.280 nan 0.000 0.543 125 G N 0.345 108.988 108.800 -0.261 0.000 2.522 125 G HA2 0.465 4.425 3.960 -0.000 0.000 0.304 125 G HA3 0.465 4.425 3.960 -0.000 0.000 0.304 125 G C 0.059 174.916 174.900 -0.071 0.000 1.210 125 G CA -0.475 44.527 45.100 -0.163 0.000 0.960 125 G HN 0.535 nan 8.290 nan 0.000 0.497 126 G N -1.285 107.450 108.800 -0.109 0.000 2.594 126 G HA2 0.453 4.413 3.960 -0.000 0.000 0.243 126 G HA3 0.453 4.413 3.960 -0.000 0.000 0.243 126 G C 0.168 175.039 174.900 -0.048 0.000 1.229 126 G CA 0.595 45.720 45.100 0.042 0.000 0.843 126 G HN 0.901 nan 8.290 nan 0.000 0.578 127 T N -1.285 113.247 114.554 -0.036 0.000 2.841 127 T HA 0.672 5.022 4.350 -0.000 0.000 0.283 127 T C -0.252 174.334 174.700 -0.191 0.000 1.000 127 T CA -0.559 61.453 62.100 -0.147 0.000 0.977 127 T CB 1.758 70.531 68.868 -0.158 0.000 0.979 127 T HN 0.430 nan 8.240 nan 0.000 0.446 128 T N 3.891 118.268 114.554 -0.295 0.000 2.887 128 T HA 0.633 4.983 4.350 -0.000 0.000 0.288 128 T C -1.229 173.220 174.700 -0.419 0.000 1.021 128 T CA -0.398 61.557 62.100 -0.242 0.000 1.000 128 T CB 0.774 69.556 68.868 -0.143 0.000 1.034 128 T HN 0.540 nan 8.240 nan 0.000 0.467 129 F N 2.037 122.006 119.950 0.032 0.000 2.366 129 F HA 0.591 5.118 4.527 -0.000 0.000 0.366 129 F C 0.586 176.415 175.800 0.047 0.000 1.096 129 F CA -1.000 57.019 58.000 0.032 0.000 1.060 129 F CB 0.802 39.817 39.000 0.024 0.000 1.282 129 F HN 0.657 nan 8.300 nan 0.000 0.450 130 A N 3.096 126.021 122.820 0.175 0.000 2.363 130 A HA 0.407 4.727 4.320 -0.000 0.000 0.270 130 A C 0.450 178.150 177.584 0.194 0.000 1.121 130 A CA -0.509 51.627 52.037 0.166 0.000 0.800 130 A CB -0.314 18.762 19.000 0.127 0.000 1.052 130 A HN 0.940 nan 8.150 nan 0.000 0.493 131 N N 0.498 119.335 118.700 0.227 0.000 2.671 131 N HA -0.187 4.553 4.740 -0.000 0.000 0.261 131 N C 0.613 176.236 175.510 0.188 0.000 1.053 131 N CA 0.503 53.684 53.050 0.219 0.000 0.732 131 N CB -1.528 37.053 38.487 0.156 0.000 0.887 131 N HN 0.934 nan 8.380 nan 0.000 0.546 132 V N -2.109 117.930 119.914 0.209 0.000 2.720 132 V HA -0.257 3.863 4.120 -0.000 0.000 0.256 132 V C 2.093 178.269 176.094 0.135 0.000 1.082 132 V CA 1.969 64.368 62.300 0.165 0.000 1.101 132 V CB -0.280 31.640 31.823 0.162 0.000 0.693 132 V HN 0.542 nan 8.190 nan 0.000 0.479 133 D N 0.879 121.352 120.400 0.122 0.000 2.178 133 D HA -0.180 4.460 4.640 -0.000 0.000 0.202 133 D C 1.926 178.249 176.300 0.038 0.000 0.974 133 D CA 1.496 55.526 54.000 0.051 0.000 0.841 133 D CB -0.363 40.472 40.800 0.059 0.000 0.953 133 D HN 0.482 nan 8.370 nan 0.000 0.478 134 K N -0.012 120.426 120.400 0.065 0.000 2.262 134 K HA 0.108 4.428 4.320 -0.000 0.000 0.200 134 K C 2.104 178.727 176.600 0.039 0.000 1.049 134 K CA 0.255 56.562 56.287 0.033 0.000 0.979 134 K CB 0.609 33.133 32.500 0.040 0.000 0.773 134 K HN 0.037 nan 8.250 nan 0.000 0.474 135 V N 1.512 121.476 119.914 0.083 0.000 2.446 135 V HA -0.117 4.002 4.120 -0.000 0.000 0.244 135 V C 2.003 178.200 176.094 0.171 0.000 1.039 135 V CA 1.237 63.606 62.300 0.115 0.000 1.045 135 V CB -0.247 31.658 31.823 0.136 0.000 0.681 135 V HN 0.220 nan 8.190 nan 0.000 0.459 136 L N -0.042 121.287 121.223 0.177 0.000 2.395 136 L HA -0.050 4.290 4.340 -0.000 0.000 0.218 136 L C 2.627 179.591 176.870 0.158 0.000 1.130 136 L CA 0.881 55.894 54.840 0.288 0.000 0.826 136 L CB -0.557 41.635 42.059 0.220 0.000 0.941 136 L HN 0.363 nan 8.230 nan 0.000 0.451 137 S N 0.928 116.626 115.700 -0.003 0.000 2.390 137 S HA -0.180 4.290 4.470 -0.000 0.000 0.234 137 S C -0.288 174.161 174.600 -0.251 0.000 1.063 137 S CA 2.138 60.252 58.200 -0.144 0.000 1.108 137 S CB -0.823 62.284 63.200 -0.155 0.000 0.975 137 S HN 0.211 nan 8.310 nan 0.000 0.442 138 P HA -0.116 nan 4.420 nan 0.000 0.216 138 P C 0.613 177.584 177.300 -0.549 0.000 1.154 138 P CA 1.424 64.202 63.100 -0.536 0.000 0.865 138 P CB -0.185 31.040 31.700 -0.791 0.000 0.789 139 Y N -1.774 118.515 120.300 -0.018 0.000 2.457 139 Y HA -0.056 4.494 4.550 -0.000 0.000 0.292 139 Y C 2.218 178.123 175.900 0.008 0.000 1.125 139 Y CA 0.334 58.433 58.100 -0.001 0.000 1.254 139 Y CB -1.516 36.938 38.460 -0.010 0.000 1.012 139 Y HN -0.212 nan 8.280 nan 0.000 0.555 140 V N 0.087 120.017 119.914 0.027 0.000 2.667 140 V HA -0.214 3.906 4.120 -0.000 0.000 0.252 140 V C 2.085 178.196 176.094 0.028 0.000 1.065 140 V CA 1.499 63.807 62.300 0.013 0.000 1.083 140 V CB -0.427 31.317 31.823 -0.132 0.000 0.692 140 V HN 0.344 nan 8.190 nan 0.000 0.468 141 K N 0.125 120.498 120.400 -0.046 0.000 2.062 141 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 141 K C 2.405 179.125 176.600 0.201 0.000 1.051 141 K CA 1.116 57.460 56.287 0.094 0.000 0.941 141 K CB -0.196 32.310 32.500 0.009 0.000 0.719 141 K HN 0.387 nan 8.250 nan 0.000 0.440 142 R N 0.174 120.741 120.500 0.112 0.000 2.120 142 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 142 R C 2.207 178.587 176.300 0.133 0.000 1.123 142 R CA 1.399 57.570 56.100 0.119 0.000 0.975 142 R CB -0.412 29.952 30.300 0.107 0.000 0.866 142 R HN 0.171 nan 8.270 nan 0.000 0.446 143 T N 0.366 115.018 114.554 0.164 0.000 2.821 143 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 143 T C 1.380 176.218 174.700 0.229 0.000 1.046 143 T CA 1.094 63.280 62.100 0.144 0.000 1.139 143 T CB -0.298 68.692 68.868 0.203 0.000 0.871 143 T HN 0.261 nan 8.240 nan 0.000 0.454 144 Y N 2.121 122.562 120.300 0.235 0.000 2.133 144 Y HA 0.007 4.557 4.550 -0.000 0.000 0.287 144 Y C 2.545 178.571 175.900 0.210 0.000 1.134 144 Y CA 0.862 59.143 58.100 0.301 0.000 1.133 144 Y CB -0.914 37.801 38.460 0.424 0.000 0.987 144 Y HN 0.176 nan 8.280 nan 0.000 0.502 145 A N 0.592 123.570 122.820 0.262 0.000 1.896 145 A HA -0.329 3.991 4.320 -0.000 0.000 0.220 145 A C 2.252 179.855 177.584 0.031 0.000 1.206 145 A CA 2.605 54.721 52.037 0.131 0.000 0.647 145 A CB -0.782 18.301 19.000 0.138 0.000 0.828 145 A HN 0.554 nan 8.150 nan 0.000 0.455 146 K N -1.543 118.856 120.400 -0.003 0.000 2.032 146 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 146 K C 1.980 178.540 176.600 -0.067 0.000 1.048 146 K CA 1.456 57.703 56.287 -0.067 0.000 0.927 146 K CB -0.393 32.012 32.500 -0.157 0.000 0.712 146 K HN 0.620 nan 8.250 nan 0.000 0.441 147 H N 0.368 119.450 119.070 0.019 0.000 2.489 147 H HA -0.048 4.508 4.556 -0.000 0.000 0.293 147 H C 2.028 177.388 175.328 0.055 0.000 1.066 147 H CA 0.801 56.871 56.048 0.037 0.000 1.305 147 H CB 0.112 29.819 29.762 -0.092 0.000 1.386 147 H HN 0.129 nan 8.280 nan 0.000 0.551 148 I N 0.964 121.542 120.570 0.014 0.000 2.206 148 I HA -0.163 4.007 4.170 -0.000 0.000 0.239 148 I C 2.131 178.281 176.117 0.055 0.000 1.078 148 I CA 0.897 62.185 61.300 -0.020 0.000 1.367 148 I CB -0.898 37.041 38.000 -0.102 0.000 1.078 148 I HN 0.229 nan 8.210 nan 0.000 0.413 149 E N 0.678 120.909 120.200 0.052 0.000 2.130 149 E HA -0.276 4.074 4.350 -0.000 0.000 0.196 149 E C 1.511 178.176 176.600 0.109 0.000 0.998 149 E CA 1.599 58.035 56.400 0.060 0.000 0.806 149 E CB -0.173 29.557 29.700 0.051 0.000 0.738 149 E HN 0.443 nan 8.360 nan 0.000 0.459 150 D N -0.112 120.396 120.400 0.179 0.000 2.264 150 D HA -0.054 4.586 4.640 -0.000 0.000 0.208 150 D C 1.663 178.134 176.300 0.286 0.000 0.966 150 D CA 0.985 55.173 54.000 0.314 0.000 0.864 150 D CB 0.007 41.018 40.800 0.351 0.000 0.933 150 D HN 0.216 nan 8.370 nan 0.000 0.499 151 A N 0.447 123.359 122.820 0.152 0.000 1.903 151 A HA -0.043 4.277 4.320 -0.000 0.000 0.213 151 A C 1.441 179.039 177.584 0.024 0.000 1.185 151 A CA 0.599 52.647 52.037 0.018 0.000 0.628 151 A CB -0.178 18.836 19.000 0.022 0.000 0.830 151 A HN 0.125 nan 8.150 nan 0.000 0.446 152 E N -0.604 119.614 120.200 0.030 0.000 2.351 152 E HA 0.113 4.463 4.350 -0.000 0.000 0.236 152 E C 0.637 177.215 176.600 -0.038 0.000 1.341 152 E CA 0.081 56.478 56.400 -0.005 0.000 1.579 152 E CB 0.030 29.729 29.700 -0.001 0.000 1.393 152 E HN 0.626 nan 8.360 nan 0.000 0.438 153 K N -0.753 119.616 120.400 -0.052 0.000 2.645 153 K HA 0.053 4.373 4.320 -0.000 0.000 0.203 153 K C 0.010 176.302 176.600 -0.513 0.000 1.653 153 K CA -0.054 56.083 56.287 -0.250 0.000 1.138 153 K CB 0.479 32.856 32.500 -0.205 0.000 1.515 153 K HN 0.120 nan 8.250 nan 0.000 0.592 154 W N 2.840 124.103 121.300 -0.061 0.000 2.846 154 W HA 0.329 4.989 4.660 -0.000 0.000 0.391 154 W C -0.488 175.977 176.519 -0.089 0.000 1.011 154 W CA -0.283 57.020 57.345 -0.070 0.000 1.832 154 W CB 1.225 30.637 29.460 -0.080 0.000 1.151 154 W HN 0.011 nan 8.180 nan 0.000 0.582 155 Q N 0.655 120.475 119.800 0.034 0.000 2.460 155 Q HA -0.182 4.157 4.340 -0.000 0.000 0.311 155 Q C -0.011 175.975 176.000 -0.023 0.000 1.396 155 Q CA 0.803 56.603 55.803 -0.005 0.000 0.838 155 Q CB -2.348 26.385 28.738 -0.009 0.000 1.140 155 Q HN 0.261 nan 8.270 nan 0.000 0.415 156 I N -0.161 120.366 120.570 -0.072 0.000 2.710 156 I HA 0.018 4.188 4.170 -0.000 0.000 0.286 156 I C 1.993 178.049 176.117 -0.102 0.000 1.181 156 I CA 1.043 62.234 61.300 -0.182 0.000 1.430 156 I CB 0.326 38.059 38.000 -0.445 0.000 1.367 156 I HN 0.407 nan 8.210 nan 0.000 0.577 157 A N 6.812 129.583 122.820 -0.082 0.000 1.848 157 A HA -0.138 4.182 4.320 -0.000 0.000 0.211 157 A C 0.830 178.408 177.584 -0.011 0.000 1.225 157 A CA 1.175 53.193 52.037 -0.031 0.000 0.637 157 A CB -0.445 18.545 19.000 -0.015 0.000 0.867 157 A HN 0.743 nan 8.150 nan 0.000 0.463 158 D N 0.774 121.183 120.400 0.015 0.000 2.608 158 D HA 0.423 5.063 4.640 -0.000 0.000 0.224 158 D C 1.353 177.697 176.300 0.075 0.000 1.123 158 D CA 0.712 54.739 54.000 0.045 0.000 1.030 158 D CB 0.311 41.149 40.800 0.063 0.000 1.093 158 D HN 0.436 nan 8.370 nan 0.000 0.497 159 A N 1.714 124.559 122.820 0.041 0.000 1.906 159 A HA -0.276 4.044 4.320 -0.000 0.000 0.222 159 A C 2.144 179.790 177.584 0.104 0.000 1.282 159 A CA 1.401 53.473 52.037 0.057 0.000 0.675 159 A CB -0.595 18.421 19.000 0.027 0.000 0.838 159 A HN 0.519 nan 8.150 nan 0.000 0.469 160 L N -1.434 119.837 121.223 0.080 0.000 2.027 160 L HA -0.157 4.182 4.340 -0.000 0.000 0.206 160 L C 2.457 179.399 176.870 0.119 0.000 1.074 160 L CA 1.738 56.639 54.840 0.101 0.000 0.745 160 L CB -0.718 41.393 42.059 0.088 0.000 0.898 160 L HN 0.542 nan 8.230 nan 0.000 0.433 161 N N -0.660 118.099 118.700 0.099 0.000 2.520 161 N HA -0.235 4.505 4.740 -0.000 0.000 0.185 161 N C 1.606 177.179 175.510 0.106 0.000 1.068 161 N CA 0.815 53.917 53.050 0.086 0.000 0.911 161 N CB -0.033 38.493 38.487 0.065 0.000 0.961 161 N HN 0.363 nan 8.380 nan 0.000 0.446 162 Y N 0.044 120.340 120.300 -0.007 0.000 2.177 162 Y HA 0.244 4.794 4.550 -0.000 0.000 0.291 162 Y C 2.211 178.072 175.900 -0.065 0.000 1.117 162 Y CA 1.428 59.508 58.100 -0.034 0.000 1.114 162 Y CB -0.805 37.639 38.460 -0.028 0.000 1.017 162 Y HN 0.060 nan 8.280 nan 0.000 0.505 163 A N 0.579 123.364 122.820 -0.058 0.000 1.908 163 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 163 A C 2.260 179.835 177.584 -0.016 0.000 1.181 163 A CA 2.086 53.994 52.037 -0.214 0.000 0.627 163 A CB -1.131 17.600 19.000 -0.447 0.000 0.818 163 A HN 0.704 nan 8.150 nan 0.000 0.445 164 Q N -0.477 119.436 119.800 0.189 0.000 2.181 164 Q HA -0.172 4.168 4.340 -0.000 0.000 0.205 164 Q C 2.220 178.253 176.000 0.055 0.000 0.980 164 Q CA 1.907 57.842 55.803 0.219 0.000 0.862 164 Q CB -0.202 28.615 28.738 0.133 0.000 0.905 164 Q HN 0.654 nan 8.270 nan 0.000 0.429 165 S N -0.296 115.363 115.700 -0.068 0.000 2.329 165 S HA -0.121 4.348 4.470 -0.000 0.000 0.215 165 S C 1.761 176.236 174.600 -0.207 0.000 1.031 165 S CA 1.046 59.173 58.200 -0.121 0.000 0.985 165 S CB -0.095 63.019 63.200 -0.143 0.000 0.917 165 S HN 0.306 nan 8.310 nan 0.000 0.441 166 K N 0.729 120.850 120.400 -0.464 0.000 2.020 166 K HA -0.087 4.233 4.320 -0.000 0.000 0.212 166 K C 2.342 178.737 176.600 -0.341 0.000 1.050 166 K CA 1.945 57.863 56.287 -0.615 0.000 0.929 166 K CB -1.574 30.080 32.500 -1.411 0.000 0.714 166 K HN 0.446 nan 8.250 nan 0.000 0.443 167 T N 1.823 116.249 114.554 -0.213 0.000 2.635 167 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 167 T C 1.796 176.597 174.700 0.167 0.000 1.040 167 T CA 1.728 63.939 62.100 0.186 0.000 1.156 167 T CB -0.222 68.914 68.868 0.448 0.000 0.863 167 T HN 0.391 nan 8.240 nan 0.000 0.430 168 E N 1.081 121.358 120.200 0.129 0.000 2.130 168 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 168 E C 2.258 178.933 176.600 0.124 0.000 0.998 168 E CA 1.344 57.821 56.400 0.128 0.000 0.806 168 E CB -0.170 29.582 29.700 0.088 0.000 0.738 168 E HN 0.441 nan 8.360 nan 0.000 0.459 169 K N 0.184 120.623 120.400 0.065 0.000 2.031 169 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 169 K C 1.777 178.474 176.600 0.162 0.000 1.049 169 K CA 1.600 57.940 56.287 0.087 0.000 0.939 169 K CB -0.097 32.404 32.500 0.002 0.000 0.717 169 K HN -0.002 nan 8.250 nan 0.000 0.438 170 D N 0.617 121.098 120.400 0.135 0.000 2.126 170 D HA -0.189 4.451 4.640 -0.000 0.000 0.190 170 D C 1.917 178.319 176.300 0.169 0.000 1.001 170 D CA 1.447 55.541 54.000 0.156 0.000 0.841 170 D CB -0.369 40.550 40.800 0.199 0.000 0.949 170 D HN 0.014 nan 8.370 nan 0.000 0.446 171 V N 0.174 120.208 119.914 0.201 0.000 2.332 171 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 171 V C 2.097 178.375 176.094 0.306 0.000 1.055 171 V CA 1.668 64.118 62.300 0.249 0.000 1.038 171 V CB -0.691 31.274 31.823 0.236 0.000 0.651 171 V HN 0.245 nan 8.190 nan 0.000 0.450 172 Y N 1.613 122.008 120.300 0.159 0.000 2.070 172 Y HA -0.272 4.278 4.550 -0.000 0.000 0.280 172 Y C 2.500 178.494 175.900 0.156 0.000 1.148 172 Y CA 2.201 60.390 58.100 0.148 0.000 1.125 172 Y CB -0.417 38.093 38.460 0.083 0.000 0.975 172 Y HN 0.343 nan 8.280 nan 0.000 0.492 173 D N 0.136 120.672 120.400 0.227 0.000 2.182 173 D HA -0.210 4.430 4.640 -0.000 0.000 0.201 173 D C 2.245 178.553 176.300 0.015 0.000 0.986 173 D CA 1.375 55.447 54.000 0.119 0.000 0.847 173 D CB -0.627 40.251 40.800 0.129 0.000 0.942 173 D HN 0.514 nan 8.370 nan 0.000 0.467 174 A N 0.437 123.252 122.820 -0.009 0.000 1.902 174 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 174 A C 1.934 179.353 177.584 -0.276 0.000 1.181 174 A CA 1.010 52.950 52.037 -0.161 0.000 0.623 174 A CB -0.898 17.950 19.000 -0.253 0.000 0.818 174 A HN 0.152 nan 8.150 nan 0.000 0.443 175 F N -0.479 119.425 119.950 -0.077 0.000 2.558 175 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 175 F C 2.485 178.250 175.800 -0.058 0.000 1.119 175 F CA 1.226 59.182 58.000 -0.073 0.000 1.451 175 F CB -0.001 38.907 39.000 -0.154 0.000 1.091 175 F HN 0.328 nan 8.300 nan 0.000 0.563 176 Q N 0.175 119.973 119.800 -0.004 0.000 2.212 176 Q HA -0.054 4.286 4.340 -0.000 0.000 0.199 176 Q C 2.296 178.419 176.000 0.204 0.000 0.950 176 Q CA 1.025 56.854 55.803 0.044 0.000 0.863 176 Q CB 0.002 28.727 28.738 -0.023 0.000 0.944 176 Q HN 0.369 nan 8.270 nan 0.000 0.465 177 A N -0.033 122.849 122.820 0.104 0.000 1.897 177 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 177 A C 1.821 179.468 177.584 0.105 0.000 1.181 177 A CA 1.049 53.144 52.037 0.098 0.000 0.620 177 A CB -0.886 18.122 19.000 0.014 0.000 0.821 177 A HN 0.577 nan 8.150 nan 0.000 0.443 178 Y N 0.560 120.824 120.300 -0.059 0.000 2.181 178 Y HA -0.203 4.347 4.550 -0.000 0.000 0.288 178 Y C 2.297 178.187 175.900 -0.017 0.000 1.146 178 Y CA 2.213 60.268 58.100 -0.076 0.000 1.164 178 Y CB -0.286 38.087 38.460 -0.146 0.000 0.982 178 Y HN 0.480 nan 8.280 nan 0.000 0.515 179 E N -1.291 118.940 120.200 0.052 0.000 2.110 179 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 179 E C 1.741 178.186 176.600 -0.259 0.000 0.988 179 E CA 1.592 57.927 56.400 -0.110 0.000 0.804 179 E CB -0.292 29.341 29.700 -0.112 0.000 0.745 179 E HN 0.621 nan 8.360 nan 0.000 0.458 180 Y N 0.391 120.630 120.300 -0.101 0.000 2.395 180 Y HA -0.065 4.485 4.550 -0.000 0.000 0.293 180 Y C 2.278 178.098 175.900 -0.134 0.000 1.123 180 Y CA 0.571 58.610 58.100 -0.103 0.000 1.227 180 Y CB 0.212 38.632 38.460 -0.068 0.000 1.012 180 Y HN -0.015 nan 8.280 nan 0.000 0.552 181 E N -0.043 120.126 120.200 -0.052 0.000 2.031 181 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 181 E C 2.452 178.946 176.600 -0.176 0.000 0.994 181 E CA 1.288 57.615 56.400 -0.122 0.000 0.800 181 E CB -0.632 28.944 29.700 -0.206 0.000 0.752 181 E HN 0.252 nan 8.360 nan 0.000 0.447 182 V N 2.918 122.639 119.914 -0.321 0.000 2.392 182 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 182 V C 2.355 178.350 176.094 -0.165 0.000 1.059 182 V CA 1.866 64.018 62.300 -0.247 0.000 1.051 182 V CB -0.677 30.963 31.823 -0.306 0.000 0.658 182 V HN 0.359 nan 8.190 nan 0.000 0.455 183 N N -0.037 118.522 118.700 -0.234 0.000 2.244 183 N HA -0.164 4.576 4.740 -0.000 0.000 0.183 183 N C 1.648 177.042 175.510 -0.193 0.000 1.016 183 N CA 1.894 54.738 53.050 -0.342 0.000 0.866 183 N CB 0.035 38.333 38.487 -0.315 0.000 0.980 183 N HN 0.477 nan 8.380 nan 0.000 0.430 184 T N 1.085 115.608 114.554 -0.051 0.000 2.951 184 T HA 0.020 4.370 4.350 -0.000 0.000 0.268 184 T C 1.347 176.110 174.700 0.106 0.000 1.073 184 T CA 0.143 62.262 62.100 0.032 0.000 1.134 184 T CB -0.024 68.861 68.868 0.029 0.000 0.884 184 T HN 0.087 nan 8.240 nan 0.000 0.479 185 L N 1.338 122.641 121.223 0.133 0.000 2.821 185 L HA 0.132 4.472 4.340 -0.000 0.000 0.254 185 L C -0.191 176.874 176.870 0.325 0.000 1.151 185 L CA 0.771 55.714 54.840 0.172 0.000 0.937 185 L CB -1.011 41.106 42.059 0.098 0.000 1.141 185 L HN 0.159 nan 8.230 nan 0.000 0.425 186 F N -1.595 118.320 119.950 -0.059 0.000 2.701 186 F HA 0.236 4.763 4.527 -0.000 0.000 0.315 186 F C 1.363 177.146 175.800 -0.028 0.000 1.277 186 F CA -0.387 57.581 58.000 -0.054 0.000 1.180 186 F CB -0.259 38.719 39.000 -0.037 0.000 1.273 186 F HN 0.152 nan 8.300 nan 0.000 0.532 187 S N -3.594 112.161 115.700 0.092 0.000 2.648 187 S HA 0.067 4.537 4.470 -0.000 0.000 0.270 187 S C 1.544 176.153 174.600 0.016 0.000 1.080 187 S CA 0.223 58.459 58.200 0.058 0.000 1.159 187 S CB 0.127 63.364 63.200 0.061 0.000 1.091 187 S HN 0.050 nan 8.310 nan 0.000 0.605 188 S N 2.780 118.465 115.700 -0.024 0.000 2.371 188 S HA 0.129 4.599 4.470 -0.000 0.000 0.221 188 S C 0.798 175.345 174.600 -0.088 0.000 1.036 188 S CA 0.766 58.934 58.200 -0.054 0.000 0.965 188 S CB -0.725 62.422 63.200 -0.088 0.000 0.845 188 S HN 0.744 nan 8.310 nan 0.000 0.475 189 N N 0.711 119.305 118.700 -0.177 0.000 2.627 189 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 189 N C 0.387 175.812 175.510 -0.141 0.000 1.173 189 N CA 0.136 53.063 53.050 -0.205 0.000 0.741 189 N CB -0.757 37.662 38.487 -0.112 0.000 1.128 189 N HN 0.478 nan 8.380 nan 0.000 0.562 190 G N 0.687 109.420 108.800 -0.113 0.000 3.455 190 G HA2 0.181 4.140 3.960 -0.000 0.000 0.250 190 G HA3 0.181 4.140 3.960 -0.000 0.000 0.250 190 G C 0.064 174.947 174.900 -0.027 0.000 1.071 190 G CA 0.287 45.375 45.100 -0.020 0.000 1.812 190 G HN 0.456 nan 8.290 nan 0.000 0.643 191 Q N 0.563 120.295 119.800 -0.114 0.000 2.222 191 Q HA -0.173 4.167 4.340 -0.000 0.000 0.308 191 Q C 0.561 176.264 176.000 -0.495 0.000 1.111 191 Q CA 0.275 55.984 55.803 -0.158 0.000 0.691 191 Q CB -1.867 26.904 28.738 0.055 0.000 0.871 191 Q HN 0.994 nan 8.270 nan 0.000 0.323 192 T N 1.948 116.071 114.554 -0.718 0.000 2.343 192 T HA -0.039 4.311 4.350 -0.000 0.000 0.183 192 T C -2.170 171.653 174.700 -1.461 0.000 1.034 192 T CA -0.022 61.349 62.100 -1.215 0.000 1.198 192 T CB 0.017 68.250 68.868 -1.059 0.000 0.977 192 T HN 0.352 nan 8.240 nan 0.000 0.433 193 P HA 0.230 nan 4.420 nan 0.000 0.268 193 P C -0.292 176.431 177.300 -0.960 0.000 1.282 193 P CA -0.291 62.363 63.100 -0.743 0.000 0.880 193 P CB -0.321 31.182 31.700 -0.327 0.000 0.971 194 F N 3.089 122.700 119.950 -0.564 0.000 2.462 194 F HA 0.227 4.754 4.527 -0.000 0.000 0.360 194 F C 0.685 176.290 175.800 -0.325 0.000 1.134 194 F CA -0.627 56.959 58.000 -0.691 0.000 1.148 194 F CB -0.024 38.867 39.000 -0.182 0.000 1.147 194 F HN 0.012 nan 8.300 nan 0.000 0.550 195 V N 2.801 122.627 119.914 -0.147 0.000 2.513 195 V HA 0.564 4.684 4.120 -0.000 0.000 0.299 195 V C 0.010 176.242 176.094 0.230 0.000 1.035 195 V CA -0.525 61.840 62.300 0.109 0.000 0.889 195 V CB 2.067 33.993 31.823 0.173 0.000 0.988 195 V HN 0.774 nan 8.190 nan 0.000 0.440 196 T N 5.495 120.162 114.554 0.189 0.000 2.861 196 T HA 0.703 5.053 4.350 -0.000 0.000 0.287 196 T C -0.757 174.049 174.700 0.177 0.000 1.003 196 T CA -0.234 61.952 62.100 0.143 0.000 0.977 196 T CB 1.479 70.377 68.868 0.050 0.000 0.996 196 T HN 0.436 nan 8.240 nan 0.000 0.448 197 I N 2.992 123.654 120.570 0.153 0.000 2.499 197 I HA 0.452 4.622 4.170 -0.000 0.000 0.288 197 I C 0.139 176.316 176.117 0.100 0.000 1.048 197 I CA -0.485 60.936 61.300 0.201 0.000 1.062 197 I CB 2.089 40.245 38.000 0.261 0.000 1.238 197 I HN 0.713 nan 8.210 nan 0.000 0.426 198 T N 3.338 117.938 114.554 0.075 0.000 2.932 198 T HA 0.866 5.216 4.350 -0.000 0.000 0.289 198 T C -0.613 174.137 174.700 0.083 0.000 1.039 198 T CA -0.489 61.521 62.100 -0.149 0.000 1.024 198 T CB 1.947 70.692 68.868 -0.205 0.000 1.090 198 T HN 0.435 nan 8.240 nan 0.000 0.496 199 F N -2.232 117.749 119.950 0.051 0.000 2.926 199 F HA 0.825 5.352 4.527 -0.000 0.000 0.321 199 F C 0.738 176.646 175.800 0.181 0.000 1.168 199 F CA -0.533 57.538 58.000 0.118 0.000 0.890 199 F CB 0.687 39.697 39.000 0.016 0.000 1.357 199 F HN 1.093 nan 8.300 nan 0.000 0.468 200 G N -0.183 108.889 108.800 0.453 0.000 2.699 200 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.198 200 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.198 200 G C 0.761 175.798 174.900 0.228 0.000 1.033 200 G CA 0.354 45.653 45.100 0.331 0.000 0.728 200 G HN 1.587 nan 8.290 nan 0.000 0.484 201 T N 0.222 114.894 114.554 0.196 0.000 3.439 201 T HA 0.516 4.866 4.350 -0.000 0.000 0.251 201 T C 0.940 175.675 174.700 0.058 0.000 1.108 201 T CA 1.112 63.252 62.100 0.067 0.000 0.982 201 T CB 0.235 69.059 68.868 -0.073 0.000 1.024 201 T HN 1.432 nan 8.240 nan 0.000 0.573 202 G N 0.116 108.969 108.800 0.088 0.000 2.470 202 G HA2 0.484 4.443 3.960 -0.000 0.000 0.320 202 G HA3 0.484 4.443 3.960 -0.000 0.000 0.320 202 G C 0.563 175.496 174.900 0.055 0.000 1.245 202 G CA -0.302 44.831 45.100 0.054 0.000 0.935 202 G HN 0.299 nan 8.290 nan 0.000 0.476 203 T N -1.327 113.252 114.554 0.043 0.000 2.969 203 T HA 0.139 4.489 4.350 -0.000 0.000 0.250 203 T C 0.639 175.375 174.700 0.059 0.000 1.021 203 T CA 0.051 62.185 62.100 0.058 0.000 1.003 203 T CB 0.159 69.064 68.868 0.062 0.000 1.040 203 T HN 0.442 nan 8.240 nan 0.000 0.492 204 D N 1.169 121.586 120.400 0.030 0.000 2.378 204 D HA -0.058 4.582 4.640 -0.000 0.000 0.238 204 D C 1.358 177.674 176.300 0.027 0.000 1.180 204 D CA -0.350 53.669 54.000 0.033 0.000 0.895 204 D CB 0.713 41.476 40.800 -0.061 0.000 1.192 204 D HN 0.420 nan 8.370 nan 0.000 0.438 205 W N 2.333 123.620 121.300 -0.022 0.000 2.335 205 W HA -0.268 4.392 4.660 -0.000 0.000 0.311 205 W C 1.491 177.990 176.519 -0.034 0.000 1.213 205 W CA 2.200 59.525 57.345 -0.035 0.000 1.274 205 W CB -2.120 27.299 29.460 -0.069 0.000 1.148 205 W HN 0.449 nan 8.180 nan 0.000 0.498 206 T N 0.032 113.974 114.554 -1.020 0.000 2.652 206 T HA -0.286 4.064 4.350 -0.000 0.000 0.267 206 T C 1.573 176.054 174.700 -0.365 0.000 1.039 206 T CA 2.102 63.656 62.100 -0.910 0.000 1.153 206 T CB -1.010 67.223 68.868 -1.060 0.000 0.863 206 T HN 0.346 nan 8.240 nan 0.000 0.428 207 E N 1.244 121.280 120.200 -0.273 0.000 2.118 207 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 207 E C 2.617 179.166 176.600 -0.086 0.000 0.992 207 E CA 0.960 57.282 56.400 -0.130 0.000 0.804 207 E CB -0.223 29.432 29.700 -0.076 0.000 0.741 207 E HN 0.546 nan 8.360 nan 0.000 0.458 208 R N 0.330 120.798 120.500 -0.054 0.000 2.075 208 R HA -0.010 4.330 4.340 -0.000 0.000 0.232 208 R C 2.405 178.682 176.300 -0.038 0.000 1.126 208 R CA 1.057 57.150 56.100 -0.011 0.000 0.963 208 R CB -0.224 30.107 30.300 0.052 0.000 0.858 208 R HN 0.173 nan 8.270 nan 0.000 0.435 209 M N 0.617 120.199 119.600 -0.030 0.000 2.108 209 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 209 M C 2.023 178.266 176.300 -0.095 0.000 1.066 209 M CA 1.731 57.024 55.300 -0.011 0.000 1.107 209 M CB -0.040 32.584 32.600 0.040 0.000 1.356 209 M HN 0.128 nan 8.290 nan 0.000 0.406 210 I N -0.036 120.441 120.570 -0.154 0.000 2.127 210 I HA -0.379 3.791 4.170 -0.000 0.000 0.241 210 I C 2.395 178.187 176.117 -0.542 0.000 1.075 210 I CA 1.645 62.753 61.300 -0.321 0.000 1.334 210 I CB -0.584 37.287 38.000 -0.214 0.000 1.040 210 I HN 0.405 nan 8.210 nan 0.000 0.405 211 Q N 0.714 120.268 119.800 -0.409 0.000 2.045 211 Q HA -0.264 4.076 4.340 -0.000 0.000 0.206 211 Q C 2.288 178.019 176.000 -0.449 0.000 0.991 211 Q CA 1.807 57.285 55.803 -0.542 0.000 0.851 211 Q CB -0.174 28.418 28.738 -0.244 0.000 0.911 211 Q HN 0.436 nan 8.270 nan 0.000 0.418 212 K N 0.166 120.429 120.400 -0.229 0.000 2.063 212 K HA -0.149 4.170 4.320 -0.000 0.000 0.208 212 K C 2.158 178.678 176.600 -0.132 0.000 1.048 212 K CA 1.118 57.329 56.287 -0.126 0.000 0.928 212 K CB -0.251 32.229 32.500 -0.034 0.000 0.713 212 K HN 0.179 nan 8.250 nan 0.000 0.442 213 A N 1.658 124.373 122.820 -0.175 0.000 1.908 213 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 213 A C 2.133 179.542 177.584 -0.291 0.000 1.181 213 A CA 1.422 53.382 52.037 -0.129 0.000 0.627 213 A CB -0.621 18.299 19.000 -0.133 0.000 0.818 213 A HN 0.187 nan 8.150 nan 0.000 0.445 214 I N -0.540 119.685 120.570 -0.574 0.000 2.142 214 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 214 I C 2.403 178.365 176.117 -0.259 0.000 1.078 214 I CA 1.301 62.283 61.300 -0.530 0.000 1.343 214 I CB -0.378 37.127 38.000 -0.824 0.000 1.046 214 I HN 0.294 nan 8.210 nan 0.000 0.405 215 L N 0.353 121.430 121.223 -0.243 0.000 2.083 215 L HA -0.209 4.130 4.340 -0.000 0.000 0.209 215 L C 2.516 179.390 176.870 0.006 0.000 1.083 215 L CA 1.469 56.269 54.840 -0.067 0.000 0.752 215 L CB -0.551 41.486 42.059 -0.036 0.000 0.899 215 L HN 0.155 nan 8.230 nan 0.000 0.433 216 K N 0.011 120.428 120.400 0.028 0.000 2.057 216 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 216 K C 1.879 178.586 176.600 0.179 0.000 1.050 216 K CA 1.611 57.980 56.287 0.137 0.000 0.935 216 K CB -0.188 32.457 32.500 0.242 0.000 0.715 216 K HN 0.264 nan 8.250 nan 0.000 0.439 217 N N 0.310 119.052 118.700 0.069 0.000 2.120 217 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 217 N C 1.794 177.323 175.510 0.032 0.000 1.024 217 N CA 0.936 53.975 53.050 -0.018 0.000 0.852 217 N CB 0.051 38.424 38.487 -0.190 0.000 1.003 217 N HN -0.009 nan 8.380 nan 0.000 0.424 218 R N 1.355 121.870 120.500 0.025 0.000 2.073 218 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 218 R C 1.859 178.192 176.300 0.054 0.000 1.134 218 R CA 1.335 57.462 56.100 0.044 0.000 0.952 218 R CB -0.824 29.518 30.300 0.071 0.000 0.850 218 R HN 0.386 nan 8.270 nan 0.000 0.433 219 I N -0.281 120.326 120.570 0.063 0.000 2.194 219 I HA -0.217 3.953 4.170 -0.000 0.000 0.246 219 I C 2.271 178.420 176.117 0.053 0.000 1.093 219 I CA 1.860 63.193 61.300 0.055 0.000 1.355 219 I CB -0.679 37.353 38.000 0.053 0.000 1.046 219 I HN 0.110 nan 8.210 nan 0.000 0.413 220 K N 1.154 121.601 120.400 0.078 0.000 2.032 220 K HA 0.084 4.404 4.320 -0.000 0.000 0.209 220 K C 1.192 177.826 176.600 0.056 0.000 1.048 220 K CA 1.432 57.769 56.287 0.082 0.000 0.927 220 K CB -0.477 32.111 32.500 0.147 0.000 0.712 220 K HN 0.725 nan 8.250 nan 0.000 0.441 221 G N -0.495 108.330 108.800 0.042 0.000 2.549 221 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.404 221 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.404 221 G C -1.736 173.162 174.900 -0.004 0.000 1.292 221 G CA -0.567 44.540 45.100 0.012 0.000 0.935 221 G HN 0.127 nan 8.290 nan 0.000 0.512 222 L N 1.622 122.823 121.223 -0.037 0.000 2.322 222 L HA 0.779 5.119 4.340 -0.000 0.000 0.281 222 L C 1.152 178.045 176.870 0.038 0.000 1.014 222 L CA 1.351 56.154 54.840 -0.061 0.000 0.815 222 L CB 0.883 42.821 42.059 -0.202 0.000 1.247 222 L HN 2.684 nan 8.230 nan 0.000 0.421 223 G N 3.252 112.153 108.800 0.168 0.000 2.828 223 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.463 223 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.463 223 G C 0.660 175.569 174.900 0.015 0.000 1.394 223 G CA 0.192 45.350 45.100 0.098 0.000 0.862 223 G HN 0.960 nan 8.290 nan 0.000 0.540 224 R N -0.609 119.867 120.500 -0.041 0.000 2.237 224 R HA 0.015 4.355 4.340 -0.000 0.000 0.219 224 R C 0.652 176.861 176.300 -0.152 0.000 1.080 224 R CA 1.985 58.038 56.100 -0.079 0.000 0.995 224 R CB -0.029 30.219 30.300 -0.087 0.000 0.875 224 R HN 0.382 nan 8.270 nan 0.000 0.462 225 D N 0.759 121.017 120.400 -0.236 0.000 2.368 225 D HA 0.130 4.769 4.640 -0.000 0.000 0.218 225 D C 0.310 176.509 176.300 -0.168 0.000 1.112 225 D CA 0.606 54.369 54.000 -0.395 0.000 0.834 225 D CB 0.630 40.821 40.800 -1.016 0.000 0.953 225 D HN 0.435 nan 8.370 nan 0.000 0.505 226 G N 2.601 111.358 108.800 -0.071 0.000 2.332 226 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.277 226 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.277 226 G C 0.583 175.495 174.900 0.019 0.000 0.884 226 G CA 0.621 45.716 45.100 -0.009 0.000 1.251 226 G HN 0.546 nan 8.290 nan 0.000 0.462 227 I N -2.272 118.315 120.570 0.028 0.000 2.886 227 I HA 0.604 4.774 4.170 -0.000 0.000 0.299 227 I C 0.579 176.704 176.117 0.013 0.000 1.044 227 I CA -0.760 60.581 61.300 0.069 0.000 1.310 227 I CB 1.069 39.135 38.000 0.110 0.000 1.441 227 I HN 0.013 nan 8.210 nan 0.000 0.578 228 T N 5.259 119.814 114.554 0.002 0.000 2.737 228 T HA 0.300 4.650 4.350 -0.000 0.000 0.296 228 T C -2.107 172.569 174.700 -0.041 0.000 0.922 228 T CA -0.701 61.387 62.100 -0.021 0.000 1.079 228 T CB 0.245 69.091 68.868 -0.037 0.000 0.892 228 T HN 0.552 nan 8.240 nan 0.000 0.514 229 P HA 0.287 nan 4.420 nan 0.000 0.274 229 P C 0.273 177.533 177.300 -0.067 0.000 1.231 229 P CA -0.318 62.733 63.100 -0.083 0.000 0.790 229 P CB 1.146 32.792 31.700 -0.090 0.000 0.951 230 I N -0.311 120.169 120.570 -0.149 0.000 3.941 230 I HA 0.159 4.329 4.170 -0.000 0.000 0.321 230 I C 0.076 175.820 176.117 -0.621 0.000 1.284 230 I CA 0.635 61.755 61.300 -0.301 0.000 1.226 230 I CB -0.006 37.797 38.000 -0.330 0.000 1.045 230 I HN 0.163 nan 8.210 nan 0.000 0.420 231 F N 0.764 120.726 119.950 0.019 0.000 2.678 231 F HA 0.415 4.942 4.527 -0.000 0.000 0.308 231 F C -2.618 173.158 175.800 -0.040 0.000 1.118 231 F CA -2.315 55.694 58.000 0.015 0.000 0.959 231 F CB 1.230 40.261 39.000 0.052 0.000 1.305 231 F HN -0.307 nan 8.300 nan 0.000 0.443 232 P HA 0.196 nan 4.420 nan 0.000 0.278 232 P C -0.965 176.401 177.300 0.110 0.000 1.238 232 P CA -0.536 62.753 63.100 0.316 0.000 0.794 232 P CB 1.408 33.313 31.700 0.342 0.000 0.955 233 K N 1.768 122.208 120.400 0.067 0.000 2.414 233 K HA 0.217 4.537 4.320 -0.000 0.000 0.272 233 K C -0.322 176.062 176.600 -0.360 0.000 0.993 233 K CA -0.021 55.971 56.287 -0.491 0.000 0.964 233 K CB 0.037 32.422 32.500 -0.192 0.000 0.925 233 K HN 0.439 nan 8.250 nan 0.000 0.487 234 L N 4.057 124.943 121.223 -0.562 0.000 2.333 234 L HA 0.480 4.819 4.340 -0.000 0.000 0.280 234 L C -1.080 175.701 176.870 -0.148 0.000 1.004 234 L CA -1.185 53.581 54.840 -0.124 0.000 0.820 234 L CB 1.894 44.031 42.059 0.130 0.000 1.247 234 L HN 0.325 nan 8.230 nan 0.000 0.416 235 V N 4.154 123.869 119.914 -0.333 0.000 2.525 235 V HA 0.440 4.560 4.120 -0.000 0.000 0.299 235 V C -0.303 175.241 176.094 -0.917 0.000 1.034 235 V CA -0.361 61.666 62.300 -0.454 0.000 0.863 235 V CB 2.155 33.726 31.823 -0.421 0.000 0.999 235 V HN 0.784 nan 8.190 nan 0.000 0.423 236 M N 4.816 123.949 119.600 -0.780 0.000 2.364 236 M HA 0.652 5.131 4.480 -0.000 0.000 0.334 236 M C -1.663 174.346 176.300 -0.485 0.000 1.107 236 M CA -0.490 54.339 55.300 -0.785 0.000 0.988 236 M CB 1.555 33.916 32.600 -0.400 0.000 1.673 236 M HN 0.514 nan 8.290 nan 0.000 0.441 237 F N 4.217 124.037 119.950 -0.217 0.000 2.420 237 F HA 0.415 4.942 4.527 -0.000 0.000 0.352 237 F C 0.268 176.030 175.800 -0.063 0.000 1.108 237 F CA -0.421 57.510 58.000 -0.115 0.000 1.162 237 F CB 1.058 40.011 39.000 -0.078 0.000 1.118 237 F HN 0.353 nan 8.300 nan 0.000 0.510 238 V N 1.049 121.042 119.914 0.132 0.000 2.513 238 V HA 0.760 4.880 4.120 -0.000 0.000 0.299 238 V C -0.789 175.347 176.094 0.070 0.000 1.035 238 V CA -0.550 61.798 62.300 0.080 0.000 0.889 238 V CB 1.606 33.450 31.823 0.034 0.000 0.988 238 V HN 0.877 nan 8.190 nan 0.000 0.440 239 E N 2.057 122.287 120.200 0.050 0.000 2.335 239 E HA 0.437 4.787 4.350 -0.000 0.000 0.280 239 E C -1.229 175.384 176.600 0.021 0.000 0.918 239 E CA -0.717 55.701 56.400 0.029 0.000 0.765 239 E CB 1.957 31.676 29.700 0.032 0.000 1.218 239 E HN 0.901 nan 8.360 nan 0.000 0.425 240 E N 1.408 121.617 120.200 0.015 0.000 2.558 240 E HA 0.287 4.637 4.350 -0.000 0.000 0.255 240 E C 0.855 177.520 176.600 0.108 0.000 0.968 240 E CA 1.537 57.979 56.400 0.071 0.000 0.939 240 E CB 0.382 30.186 29.700 0.173 0.000 0.921 240 E HN 0.814 nan 8.360 nan 0.000 0.477 241 G N 1.228 110.113 108.800 0.141 0.000 2.141 241 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 241 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 241 G C 0.543 175.504 174.900 0.102 0.000 0.982 241 G CA 0.166 45.338 45.100 0.120 0.000 0.662 241 G HN 0.406 nan 8.290 nan 0.000 0.527 242 V N -0.787 119.191 119.914 0.106 0.000 3.261 242 V HA 0.263 4.383 4.120 -0.000 0.000 0.212 242 V C 1.231 177.405 176.094 0.135 0.000 1.381 242 V CA 1.549 63.912 62.300 0.104 0.000 1.322 242 V CB 0.320 32.193 31.823 0.084 0.000 1.188 242 V HN 0.789 nan 8.190 nan 0.000 0.520 243 N N -1.022 117.761 118.700 0.138 0.000 2.093 243 N HA 0.072 4.812 4.740 -0.000 0.000 0.226 243 N C 0.918 176.533 175.510 0.177 0.000 1.388 243 N CA -0.127 53.028 53.050 0.176 0.000 0.752 243 N CB 0.398 38.970 38.487 0.141 0.000 1.240 243 N HN 0.260 nan 8.380 nan 0.000 0.529 244 L N 0.382 121.657 121.223 0.086 0.000 2.084 244 L HA 0.400 4.740 4.340 -0.000 0.000 0.202 244 L C -0.400 176.426 176.870 -0.072 0.000 1.074 244 L CA 1.464 56.243 54.840 -0.103 0.000 0.757 244 L CB -0.316 41.493 42.059 -0.416 0.000 0.918 244 L HN 0.115 nan 8.230 nan 0.000 0.444 245 Y N -0.102 120.357 120.300 0.264 0.000 2.387 245 Y HA 0.320 4.869 4.550 -0.000 0.000 0.330 245 Y C 1.412 177.192 175.900 -0.199 0.000 1.133 245 Y CA -1.016 57.156 58.100 0.119 0.000 1.152 245 Y CB 0.746 39.231 38.460 0.043 0.000 1.215 245 Y HN -0.095 nan 8.280 nan 0.000 0.466 246 K N 0.394 120.461 120.400 -0.555 0.000 2.227 246 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 246 K C -0.010 176.197 176.600 -0.656 0.000 1.045 246 K CA 2.246 57.709 56.287 -1.373 0.000 0.931 246 K CB -0.331 31.802 32.500 -0.612 0.000 0.721 246 K HN 0.678 nan 8.250 nan 0.000 0.469 247 D N -0.098 120.176 120.400 -0.210 0.000 2.463 247 D HA 0.069 4.709 4.640 -0.000 0.000 0.224 247 D C -0.653 175.679 176.300 0.053 0.000 1.174 247 D CA -0.176 53.792 54.000 -0.052 0.000 0.829 247 D CB 0.298 41.083 40.800 -0.026 0.000 0.993 247 D HN 0.041 nan 8.370 nan 0.000 0.497 248 D N 1.092 121.563 120.400 0.119 0.000 2.264 248 D HA 0.076 4.716 4.640 -0.000 0.000 0.249 248 D C -0.977 175.428 176.300 0.175 0.000 1.070 248 D CA -2.066 52.035 54.000 0.167 0.000 0.912 248 D CB 1.399 42.327 40.800 0.212 0.000 1.193 248 D HN -0.070 nan 8.370 nan 0.000 0.427 249 P HA -0.197 nan 4.420 nan 0.000 0.217 249 P C 0.292 177.681 177.300 0.148 0.000 1.162 249 P CA 1.346 64.521 63.100 0.126 0.000 0.901 249 P CB 0.319 32.080 31.700 0.103 0.000 0.793 250 N N -1.534 117.259 118.700 0.155 0.000 2.389 250 N HA -0.011 4.728 4.740 -0.000 0.000 0.237 250 N C 1.155 176.768 175.510 0.172 0.000 1.148 250 N CA -0.176 52.962 53.050 0.147 0.000 0.854 250 N CB -0.688 37.874 38.487 0.126 0.000 1.115 250 N HN 0.236 nan 8.380 nan 0.000 0.492 251 Y N 2.443 122.802 120.300 0.097 0.000 2.352 251 Y HA -0.196 4.354 4.550 -0.000 0.000 0.292 251 Y C 1.839 177.799 175.900 0.100 0.000 1.136 251 Y CA 1.477 59.639 58.100 0.103 0.000 1.227 251 Y CB 0.163 38.685 38.460 0.102 0.000 0.991 251 Y HN 0.147 nan 8.280 nan 0.000 0.545 252 D N -0.245 120.232 120.400 0.128 0.000 2.178 252 D HA -0.202 4.438 4.640 -0.000 0.000 0.201 252 D C 1.968 178.268 176.300 -0.000 0.000 0.980 252 D CA 1.272 55.306 54.000 0.057 0.000 0.842 252 D CB -0.584 40.273 40.800 0.096 0.000 0.948 252 D HN 0.321 nan 8.370 nan 0.000 0.472 253 I N 1.323 121.910 120.570 0.029 0.000 2.163 253 I HA -0.192 3.978 4.170 -0.000 0.000 0.240 253 I C 2.545 178.688 176.117 0.044 0.000 1.081 253 I CA 0.849 62.178 61.300 0.049 0.000 1.353 253 I CB -1.174 36.879 38.000 0.089 0.000 1.054 253 I HN 0.103 nan 8.210 nan 0.000 0.407 254 K N 0.616 121.014 120.400 -0.003 0.000 2.089 254 K HA -0.247 4.073 4.320 -0.000 0.000 0.210 254 K C 2.154 178.717 176.600 -0.062 0.000 1.048 254 K CA 1.567 57.863 56.287 0.015 0.000 0.926 254 K CB 0.031 32.452 32.500 -0.132 0.000 0.714 254 K HN 0.294 nan 8.250 nan 0.000 0.448 255 Q N 0.512 120.179 119.800 -0.221 0.000 2.050 255 Q HA -0.178 4.161 4.340 -0.000 0.000 0.202 255 Q C 2.211 178.168 176.000 -0.071 0.000 0.980 255 Q CA 1.140 56.836 55.803 -0.177 0.000 0.840 255 Q CB -0.390 28.253 28.738 -0.157 0.000 0.898 255 Q HN 0.301 nan 8.270 nan 0.000 0.424 256 L N 0.813 122.025 121.223 -0.019 0.000 2.042 256 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 256 L C 2.197 179.102 176.870 0.059 0.000 1.076 256 L CA 2.162 57.014 54.840 0.019 0.000 0.749 256 L CB -1.014 41.064 42.059 0.031 0.000 0.893 256 L HN 0.152 nan 8.230 nan 0.000 0.432 257 A N -0.715 122.181 122.820 0.127 0.000 1.908 257 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 257 A C 2.158 179.867 177.584 0.207 0.000 1.181 257 A CA 1.882 54.085 52.037 0.276 0.000 0.627 257 A CB -0.838 18.440 19.000 0.464 0.000 0.818 257 A HN 0.423 nan 8.150 nan 0.000 0.445 258 L N -0.254 120.930 121.223 -0.066 0.000 2.042 258 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 258 L C 2.477 179.252 176.870 -0.158 0.000 1.076 258 L CA 2.285 56.900 54.840 -0.375 0.000 0.749 258 L CB -1.507 40.286 42.059 -0.443 0.000 0.893 258 L HN 0.632 nan 8.230 nan 0.000 0.432 259 E N -0.922 119.235 120.200 -0.073 0.000 2.038 259 E HA -0.277 4.072 4.350 -0.000 0.000 0.195 259 E C 2.457 179.058 176.600 0.003 0.000 1.000 259 E CA 1.845 58.223 56.400 -0.035 0.000 0.803 259 E CB -0.028 29.665 29.700 -0.013 0.000 0.750 259 E HN 0.517 nan 8.360 nan 0.000 0.448 260 C N 0.395 119.725 119.300 0.050 0.000 2.393 260 C HA -0.148 4.312 4.460 -0.000 0.000 0.276 260 C C 2.933 177.980 174.990 0.096 0.000 1.215 260 C CA 1.497 60.567 59.018 0.087 0.000 1.743 260 C CB -1.183 26.642 27.740 0.140 0.000 2.044 260 C HN 0.601 nan 8.230 nan 0.000 0.464 261 A N 0.356 123.259 122.820 0.138 0.000 1.978 261 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 261 A C 2.290 179.894 177.584 0.033 0.000 1.170 261 A CA 2.518 54.643 52.037 0.147 0.000 0.636 261 A CB -0.817 18.373 19.000 0.316 0.000 0.810 261 A HN 0.883 nan 8.150 nan 0.000 0.448 262 S N -0.949 114.745 115.700 -0.011 0.000 2.446 262 S HA 0.025 4.495 4.470 -0.000 0.000 0.225 262 S C 1.721 176.299 174.600 -0.036 0.000 1.016 262 S CA 0.779 58.955 58.200 -0.040 0.000 0.943 262 S CB 0.017 63.181 63.200 -0.060 0.000 0.786 262 S HN 0.526 nan 8.310 nan 0.000 0.508 263 K N 0.978 121.367 120.400 -0.018 0.000 2.141 263 K HA 0.271 4.590 4.320 -0.000 0.000 0.202 263 K C 1.573 178.162 176.600 -0.018 0.000 1.045 263 K CA 0.591 56.867 56.287 -0.019 0.000 0.971 263 K CB -0.094 32.404 32.500 -0.003 0.000 0.795 263 K HN 0.154 nan 8.250 nan 0.000 0.459 264 R N -0.221 120.282 120.500 0.005 0.000 2.397 264 R HA 0.208 4.548 4.340 -0.000 0.000 0.241 264 R C 0.753 177.035 176.300 -0.031 0.000 0.914 264 R CA 0.178 56.283 56.100 0.009 0.000 1.071 264 R CB 0.131 30.468 30.300 0.062 0.000 1.116 264 R HN 0.140 nan 8.270 nan 0.000 0.524 265 M N -2.828 116.733 119.600 -0.064 0.000 2.878 265 M HA -0.312 4.168 4.480 -0.000 0.000 0.172 265 M C -1.045 175.150 176.300 -0.176 0.000 0.660 265 M CA 1.628 56.818 55.300 -0.183 0.000 0.658 265 M CB -0.956 31.439 32.600 -0.341 0.000 2.382 265 M HN 0.065 nan 8.290 nan 0.000 0.271 266 Y N 0.840 121.158 120.300 0.030 0.000 2.392 266 Y HA 0.593 5.143 4.550 -0.000 0.000 0.323 266 Y C -1.933 174.046 175.900 0.132 0.000 1.291 266 Y CA -2.213 55.925 58.100 0.064 0.000 1.345 266 Y CB -0.260 38.235 38.460 0.057 0.000 1.320 266 Y HN 0.108 nan 8.280 nan 0.000 0.518 267 P HA 0.099 nan 4.420 nan 0.000 0.275 267 P C -1.049 176.388 177.300 0.229 0.000 1.270 267 P CA -0.113 63.167 63.100 0.301 0.000 0.791 267 P CB 0.696 32.503 31.700 0.178 0.000 1.089 268 D N -0.961 119.510 120.400 0.119 0.000 2.374 268 D HA 0.530 5.170 4.640 -0.000 0.000 0.239 268 D C -0.189 176.018 176.300 -0.154 0.000 0.991 268 D CA -0.215 53.798 54.000 0.022 0.000 0.960 268 D CB 1.089 42.002 40.800 0.189 0.000 1.284 268 D HN 0.260 nan 8.370 nan 0.000 0.512 269 I N -2.317 118.125 120.570 -0.213 0.000 2.740 269 I HA 0.616 4.786 4.170 -0.000 0.000 0.303 269 I C -0.802 175.306 176.117 -0.016 0.000 1.044 269 I CA -0.916 60.214 61.300 -0.283 0.000 1.064 269 I CB 2.183 39.819 38.000 -0.608 0.000 1.249 269 I HN 0.112 nan 8.210 nan 0.000 0.433 270 I N 3.198 123.716 120.570 -0.087 0.000 2.447 270 I HA 0.185 4.355 4.170 -0.000 0.000 0.287 270 I C 0.129 176.313 176.117 0.111 0.000 1.023 270 I CA -0.577 60.745 61.300 0.036 0.000 1.083 270 I CB 2.196 40.130 38.000 -0.110 0.000 1.245 270 I HN 0.751 nan 8.210 nan 0.000 0.434 271 S N 5.359 121.122 115.700 0.105 0.000 2.437 271 S HA 0.226 4.696 4.470 -0.000 0.000 0.304 271 S C 1.310 175.965 174.600 0.090 0.000 1.167 271 S CA 0.025 58.274 58.200 0.082 0.000 1.106 271 S CB 0.856 64.091 63.200 0.058 0.000 1.099 271 S HN 0.757 nan 8.310 nan 0.000 0.524 272 A N 5.946 128.831 122.820 0.109 0.000 1.948 272 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 272 A C 2.167 179.752 177.584 0.002 0.000 1.177 272 A CA 1.907 53.967 52.037 0.038 0.000 0.636 272 A CB -0.638 18.351 19.000 -0.020 0.000 0.815 272 A HN 0.888 nan 8.150 nan 0.000 0.449 273 K N -0.173 120.240 120.400 0.020 0.000 1.978 273 K HA -0.213 4.107 4.320 -0.000 0.000 0.214 273 K C 1.849 178.467 176.600 0.031 0.000 1.049 273 K CA 1.988 58.289 56.287 0.023 0.000 0.939 273 K CB -0.406 32.114 32.500 0.034 0.000 0.721 273 K HN 0.685 nan 8.250 nan 0.000 0.441 274 N N 0.667 119.393 118.700 0.044 0.000 2.142 274 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 274 N C 1.829 177.302 175.510 -0.063 0.000 1.023 274 N CA 0.738 53.817 53.050 0.049 0.000 0.852 274 N CB -0.208 38.310 38.487 0.052 0.000 0.998 274 N HN 0.312 nan 8.380 nan 0.000 0.424 275 N N 1.987 120.640 118.700 -0.077 0.000 2.036 275 N HA -0.203 4.536 4.740 -0.000 0.000 0.195 275 N C 1.354 176.797 175.510 -0.112 0.000 1.037 275 N CA 1.483 54.445 53.050 -0.145 0.000 0.855 275 N CB 0.033 38.467 38.487 -0.087 0.000 1.033 275 N HN 0.229 nan 8.380 nan 0.000 0.423 276 K N 0.200 120.563 120.400 -0.063 0.000 2.097 276 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 276 K C 2.109 178.699 176.600 -0.016 0.000 1.049 276 K CA 1.173 57.433 56.287 -0.044 0.000 0.933 276 K CB -0.139 32.338 32.500 -0.039 0.000 0.717 276 K HN 0.253 nan 8.250 nan 0.000 0.442 277 A N 1.211 124.036 122.820 0.009 0.000 1.898 277 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 277 A C 2.064 179.677 177.584 0.049 0.000 1.181 277 A CA 1.242 53.311 52.037 0.053 0.000 0.620 277 A CB -0.483 18.594 19.000 0.129 0.000 0.819 277 A HN 0.167 nan 8.150 nan 0.000 0.442 278 I N 0.121 120.684 120.570 -0.012 0.000 2.202 278 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 278 I C 2.822 178.928 176.117 -0.018 0.000 1.091 278 I CA 1.869 63.141 61.300 -0.048 0.000 1.368 278 I CB -0.562 37.309 38.000 -0.215 0.000 1.058 278 I HN 0.537 nan 8.210 nan 0.000 0.410 279 T N -1.770 112.759 114.554 -0.041 0.000 2.985 279 T HA 0.100 4.450 4.350 -0.000 0.000 0.266 279 T C 1.644 176.359 174.700 0.024 0.000 1.076 279 T CA 0.664 62.763 62.100 -0.003 0.000 1.135 279 T CB -0.106 68.749 68.868 -0.021 0.000 0.890 279 T HN 0.553 nan 8.240 nan 0.000 0.480 280 G N 0.847 109.655 108.800 0.014 0.000 2.160 280 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 280 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 280 G C 0.056 174.966 174.900 0.017 0.000 1.022 280 G CA 0.364 45.477 45.100 0.022 0.000 0.741 280 G HN 1.006 nan 8.290 nan 0.000 0.508 281 S N -0.839 114.864 115.700 0.006 0.000 2.489 281 S HA 0.667 5.137 4.470 -0.000 0.000 0.291 281 S C 1.612 176.201 174.600 -0.018 0.000 1.151 281 S CA 0.560 58.761 58.200 0.003 0.000 1.082 281 S CB 1.460 64.663 63.200 0.005 0.000 1.019 281 S HN 0.524 nan 8.310 nan 0.000 0.492 282 S N 2.398 118.088 115.700 -0.016 0.000 2.474 282 S HA 0.056 4.526 4.470 -0.000 0.000 0.235 282 S C 0.361 174.931 174.600 -0.049 0.000 0.997 282 S CA 0.359 58.544 58.200 -0.026 0.000 0.949 282 S CB -0.069 63.120 63.200 -0.018 0.000 0.766 282 S HN 0.548 nan 8.310 nan 0.000 0.517 283 V N 2.040 121.917 119.914 -0.062 0.000 2.823 283 V HA 0.369 4.489 4.120 -0.000 0.000 0.312 283 V C -2.642 173.353 176.094 -0.165 0.000 1.072 283 V CA -2.423 59.809 62.300 -0.114 0.000 0.937 283 V CB 1.895 33.664 31.823 -0.090 0.000 1.013 283 V HN -0.069 nan 8.190 nan 0.000 0.430 284 P HA 0.036 nan 4.420 nan 0.000 0.264 284 P C -0.790 176.372 177.300 -0.230 0.000 1.183 284 P CA 0.249 63.077 63.100 -0.452 0.000 0.763 284 P CB 0.325 31.250 31.700 -1.292 0.000 0.807 285 V N 4.452 124.376 119.914 0.016 0.000 2.333 285 V HA 0.125 4.245 4.120 -0.000 0.000 0.274 285 V C 0.409 176.741 176.094 0.396 0.000 1.028 285 V CA -0.127 62.269 62.300 0.160 0.000 0.851 285 V CB 0.763 32.656 31.823 0.116 0.000 1.000 285 V HN 0.524 nan 8.190 nan 0.000 0.456 286 S N 8.053 123.982 115.700 0.382 0.000 2.585 286 S HA 0.323 4.792 4.470 -0.000 0.000 0.273 286 S C -2.175 172.454 174.600 0.048 0.000 1.339 286 S CA -0.616 57.735 58.200 0.251 0.000 1.028 286 S CB 0.792 64.086 63.200 0.158 0.000 0.906 286 S HN 0.680 nan 8.310 nan 0.000 0.528 287 P HA 0.247 nan 4.420 nan 0.000 0.284 287 P C -1.089 175.981 177.300 -0.383 0.000 1.253 287 P CA -0.488 62.205 63.100 -0.680 0.000 0.800 287 P CB 0.545 31.585 31.700 -1.101 0.000 0.961 288 M N 2.511 121.896 119.600 -0.358 0.000 2.156 288 M HA 0.325 4.805 4.480 -0.000 0.000 0.345 288 M C 1.293 177.451 176.300 -0.237 0.000 1.398 288 M CA 0.769 55.913 55.300 -0.260 0.000 1.148 288 M CB -0.155 32.287 32.600 -0.264 0.000 1.663 288 M HN 0.790 nan 8.290 nan 0.000 0.464 289 G N 2.031 110.736 108.800 -0.159 0.000 2.527 289 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.268 289 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.268 289 G C 0.678 175.545 174.900 -0.055 0.000 1.175 289 G CA -0.108 44.941 45.100 -0.086 0.000 0.962 289 G HN 0.698 nan 8.290 nan 0.000 0.560 290 C N 0.820 120.105 119.300 -0.025 0.000 2.442 290 C HA 0.168 4.628 4.460 -0.000 0.000 0.279 290 C C 2.153 177.155 174.990 0.020 0.000 1.237 290 C CA 2.201 61.233 59.018 0.023 0.000 1.722 290 C CB -1.121 26.598 27.740 -0.036 0.000 2.056 290 C HN 0.833 nan 8.230 nan 0.000 0.469 291 R N -1.558 118.893 120.500 -0.082 0.000 2.493 291 R HA 0.181 4.521 4.340 -0.000 0.000 0.404 291 R C -0.161 175.911 176.300 -0.379 0.000 0.834 291 R CA 0.047 56.016 56.100 -0.218 0.000 1.056 291 R CB -0.534 29.782 30.300 0.026 0.000 1.620 291 R HN 0.170 nan 8.270 nan 0.000 0.570 292 S N 1.199 116.700 115.700 -0.332 0.000 2.499 292 S HA 0.474 4.943 4.470 -0.000 0.000 0.275 292 S C -0.819 173.479 174.600 -0.503 0.000 1.257 292 S CA -0.273 57.743 58.200 -0.306 0.000 1.050 292 S CB 0.157 63.119 63.200 -0.397 0.000 0.937 292 S HN 0.243 nan 8.310 nan 0.000 0.490 293 F N 4.363 124.274 119.950 -0.064 0.000 2.482 293 F HA 0.512 5.038 4.527 -0.000 0.000 0.331 293 F C 0.345 176.118 175.800 -0.045 0.000 1.115 293 F CA -0.831 57.126 58.000 -0.072 0.000 0.955 293 F CB 1.178 40.140 39.000 -0.064 0.000 1.136 293 F HN 0.376 nan 8.300 nan 0.000 0.452 294 L N 1.574 122.895 121.223 0.164 0.000 2.439 294 L HA 0.489 4.829 4.340 -0.000 0.000 0.259 294 L C 0.412 177.352 176.870 0.116 0.000 1.129 294 L CA -0.502 54.384 54.840 0.077 0.000 0.803 294 L CB 1.461 43.531 42.059 0.019 0.000 1.161 294 L HN 0.606 nan 8.230 nan 0.000 0.462 295 S N 0.191 115.950 115.700 0.098 0.000 2.578 295 S HA 0.354 4.823 4.470 -0.000 0.000 0.301 295 S C -0.553 174.127 174.600 0.133 0.000 1.091 295 S CA -0.657 57.609 58.200 0.111 0.000 1.032 295 S CB 1.830 65.101 63.200 0.118 0.000 1.064 295 S HN 0.384 nan 8.310 nan 0.000 0.508 296 V N 4.469 124.455 119.914 0.120 0.000 2.720 296 V HA 0.253 4.373 4.120 -0.000 0.000 0.307 296 V C -0.565 175.668 176.094 0.232 0.000 1.071 296 V CA 0.895 63.279 62.300 0.139 0.000 1.199 296 V CB 0.063 31.934 31.823 0.081 0.000 0.900 296 V HN 0.819 nan 8.190 nan 0.000 0.494 297 W N 6.548 127.854 121.300 0.010 0.000 3.167 297 W HA 0.643 5.303 4.660 -0.000 0.000 0.324 297 W C -1.091 175.431 176.519 0.005 0.000 1.230 297 W CA -0.988 56.362 57.345 0.009 0.000 1.184 297 W CB 1.512 30.976 29.460 0.008 0.000 1.414 297 W HN 0.488 nan 8.180 nan 0.000 0.551 298 K N 3.105 122.936 120.400 -0.948 0.000 2.375 298 K HA 0.266 4.586 4.320 -0.000 0.000 0.249 298 K C -0.648 175.045 176.600 -1.512 0.000 0.942 298 K CA -0.921 54.844 56.287 -0.870 0.000 0.806 298 K CB 1.895 34.117 32.500 -0.464 0.000 1.227 298 K HN 0.489 nan 8.250 nan 0.000 0.430 299 D N 0.147 120.077 120.400 -0.783 0.000 2.383 299 D HA -0.035 4.605 4.640 -0.000 0.000 0.248 299 D C 0.866 176.985 176.300 -0.302 0.000 1.170 299 D CA -0.367 53.347 54.000 -0.476 0.000 0.977 299 D CB 1.217 41.978 40.800 -0.065 0.000 1.120 299 D HN 0.483 nan 8.370 nan 0.000 0.481 300 S N -0.294 115.316 115.700 -0.150 0.000 2.461 300 S HA -0.241 4.229 4.470 -0.000 0.000 0.246 300 S C 1.376 175.923 174.600 -0.089 0.000 1.007 300 S CA 1.634 59.775 58.200 -0.100 0.000 0.976 300 S CB -1.195 61.984 63.200 -0.034 0.000 0.763 300 S HN 0.748 nan 8.310 nan 0.000 0.508 301 T N -3.566 110.938 114.554 -0.084 0.000 3.248 301 T HA 0.608 4.958 4.350 -0.000 0.000 0.271 301 T C 1.213 175.867 174.700 -0.078 0.000 1.005 301 T CA 0.251 62.313 62.100 -0.063 0.000 0.902 301 T CB -0.075 68.772 68.868 -0.034 0.000 1.102 301 T HN 1.190 nan 8.240 nan 0.000 0.548 302 G N 1.560 110.286 108.800 -0.123 0.000 2.148 302 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.254 302 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.254 302 G C -0.240 174.592 174.900 -0.113 0.000 0.981 302 G CA -0.168 44.856 45.100 -0.127 0.000 0.670 302 G HN 0.674 nan 8.290 nan 0.000 0.528 303 N N 0.900 119.537 118.700 -0.105 0.000 2.499 303 N HA 0.471 5.211 4.740 -0.000 0.000 0.281 303 N C -0.096 175.381 175.510 -0.056 0.000 1.098 303 N CA -0.269 52.746 53.050 -0.058 0.000 0.979 303 N CB 0.841 39.318 38.487 -0.017 0.000 1.121 303 N HN 0.395 nan 8.380 nan 0.000 0.466 304 E N 1.580 121.770 120.200 -0.016 0.000 2.265 304 E HA 0.154 4.504 4.350 -0.000 0.000 0.272 304 E C -0.395 176.261 176.600 0.094 0.000 1.067 304 E CA 0.163 56.580 56.400 0.028 0.000 0.900 304 E CB 0.551 30.265 29.700 0.023 0.000 1.017 304 E HN 0.398 nan 8.360 nan 0.000 0.431 305 I N 4.591 125.283 120.570 0.204 0.000 2.404 305 I HA 0.097 4.266 4.170 -0.000 0.000 0.293 305 I C 0.047 176.285 176.117 0.202 0.000 0.992 305 I CA -0.319 61.123 61.300 0.236 0.000 1.149 305 I CB 1.291 39.512 38.000 0.369 0.000 1.315 305 I HN 0.501 nan 8.210 nan 0.000 0.446 306 L N 3.439 124.728 121.223 0.111 0.000 2.862 306 L HA 0.306 4.645 4.340 -0.000 0.000 0.169 306 L C 0.156 177.039 176.870 0.021 0.000 1.164 306 L CA 0.778 55.656 54.840 0.063 0.000 0.858 306 L CB -0.029 42.063 42.059 0.055 0.000 1.329 306 L HN 0.423 nan 8.230 nan 0.000 0.514 307 D N 0.579 120.998 120.400 0.032 0.000 2.450 307 D HA 0.414 5.053 4.640 -0.000 0.000 0.247 307 D C 1.060 177.368 176.300 0.012 0.000 1.162 307 D CA 1.305 55.315 54.000 0.017 0.000 0.879 307 D CB 0.903 41.728 40.800 0.042 0.000 1.163 307 D HN 0.526 nan 8.370 nan 0.000 0.472 308 G N 2.613 111.404 108.800 -0.015 0.000 2.231 308 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.206 308 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.206 308 G C 0.507 175.334 174.900 -0.122 0.000 0.996 308 G CA -0.498 44.611 45.100 0.015 0.000 0.645 308 G HN 0.484 nan 8.290 nan 0.000 0.498 309 R N 0.841 121.225 120.500 -0.192 0.000 2.543 309 R HA 0.612 4.952 4.340 -0.000 0.000 0.268 309 R C 0.338 176.380 176.300 -0.431 0.000 1.067 309 R CA 0.208 56.114 56.100 -0.324 0.000 1.142 309 R CB 0.631 30.773 30.300 -0.264 0.000 1.110 309 R HN 0.542 nan 8.270 nan 0.000 0.549 310 N N -0.179 118.214 118.700 -0.512 0.000 2.972 310 N HA 0.117 4.856 4.740 -0.000 0.000 0.262 310 N C -1.687 173.545 175.510 -0.464 0.000 1.478 310 N CA -0.952 51.774 53.050 -0.541 0.000 0.841 310 N CB 0.820 38.815 38.487 -0.820 0.000 1.512 310 N HN 0.492 nan 8.380 nan 0.000 0.548 311 N N -0.396 118.033 118.700 -0.451 0.000 2.370 311 N HA 0.331 5.070 4.740 -0.000 0.000 0.303 311 N C -0.589 174.648 175.510 -0.454 0.000 1.103 311 N CA -0.398 52.407 53.050 -0.408 0.000 0.848 311 N CB 1.222 39.481 38.487 -0.379 0.000 1.235 311 N HN 0.462 nan 8.380 nan 0.000 0.496 312 L N 1.607 122.582 121.223 -0.413 0.000 2.585 312 L HA 0.443 4.783 4.340 -0.000 0.000 0.226 312 L C 1.064 177.798 176.870 -0.228 0.000 1.113 312 L CA 0.322 54.923 54.840 -0.399 0.000 0.876 312 L CB -0.605 41.190 42.059 -0.440 0.000 1.072 312 L HN 0.863 nan 8.230 nan 0.000 0.468 313 G N -1.735 106.960 108.800 -0.176 0.000 2.361 313 G HA2 0.360 4.320 3.960 -0.000 0.000 0.305 313 G HA3 0.360 4.320 3.960 -0.000 0.000 0.305 313 G C -1.981 172.876 174.900 -0.072 0.000 1.367 313 G CA -0.567 44.510 45.100 -0.039 0.000 0.951 313 G HN -0.251 nan 8.290 nan 0.000 0.615 314 V N -0.407 119.501 119.914 -0.010 0.000 2.668 314 V HA 0.696 4.816 4.120 -0.000 0.000 0.304 314 V C -0.433 175.780 176.094 0.199 0.000 1.071 314 V CA -0.738 61.572 62.300 0.017 0.000 0.894 314 V CB 1.754 33.470 31.823 -0.179 0.000 1.008 314 V HN 0.966 nan 8.190 nan 0.000 0.425 315 V N 3.295 123.361 119.914 0.254 0.000 2.483 315 V HA 0.511 4.630 4.120 -0.000 0.000 0.297 315 V C 0.042 176.365 176.094 0.382 0.000 1.027 315 V CA -0.265 62.214 62.300 0.299 0.000 0.855 315 V CB 2.274 34.203 31.823 0.175 0.000 0.995 315 V HN 0.939 nan 8.190 nan 0.000 0.424 316 T N 6.140 120.985 114.554 0.485 0.000 2.829 316 T HA 0.487 4.837 4.350 -0.000 0.000 0.282 316 T C -0.330 174.640 174.700 0.450 0.000 0.990 316 T CA -0.304 62.093 62.100 0.495 0.000 1.028 316 T CB 1.325 70.572 68.868 0.631 0.000 0.951 316 T HN 0.402 nan 8.240 nan 0.000 0.460 317 L N 3.872 125.301 121.223 0.343 0.000 2.276 317 L HA 0.379 4.719 4.340 -0.000 0.000 0.286 317 L C 0.220 177.149 176.870 0.099 0.000 1.061 317 L CA -0.608 54.355 54.840 0.204 0.000 0.807 317 L CB 0.823 42.974 42.059 0.154 0.000 1.177 317 L HN 0.568 nan 8.230 nan 0.000 0.429 318 N N 5.323 123.914 118.700 -0.181 0.000 2.555 318 N HA 0.111 4.851 4.740 -0.000 0.000 0.244 318 N C 0.862 176.250 175.510 -0.203 0.000 1.114 318 N CA -0.044 52.664 53.050 -0.570 0.000 0.963 318 N CB 0.583 38.362 38.487 -1.179 0.000 1.276 318 N HN 0.672 nan 8.380 nan 0.000 0.510 319 L N 4.260 125.448 121.223 -0.057 0.000 1.976 319 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 319 L C -0.567 176.300 176.870 -0.005 0.000 1.071 319 L CA 1.251 56.116 54.840 0.042 0.000 0.746 319 L CB -1.437 40.696 42.059 0.123 0.000 0.890 319 L HN 0.388 nan 8.230 nan 0.000 0.432 320 P HA -0.227 nan 4.420 nan 0.000 0.216 320 P C 1.368 178.613 177.300 -0.092 0.000 1.154 320 P CA 1.311 64.253 63.100 -0.263 0.000 0.865 320 P CB -0.054 31.176 31.700 -0.784 0.000 0.789 321 R N 0.002 120.468 120.500 -0.056 0.000 2.193 321 R HA -0.060 4.280 4.340 -0.000 0.000 0.229 321 R C 1.996 178.356 176.300 0.100 0.000 1.110 321 R CA 1.282 57.411 56.100 0.049 0.000 0.988 321 R CB -1.524 28.782 30.300 0.010 0.000 0.871 321 R HN 0.206 nan 8.270 nan 0.000 0.458 322 I N -0.398 120.235 120.570 0.105 0.000 2.286 322 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 322 I C 2.221 178.556 176.117 0.363 0.000 1.104 322 I CA 1.149 62.533 61.300 0.140 0.000 1.397 322 I CB -0.458 37.557 38.000 0.024 0.000 1.072 322 I HN 0.230 nan 8.210 nan 0.000 0.417 323 A N 1.189 124.307 122.820 0.496 0.000 1.898 323 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 323 A C 2.305 180.132 177.584 0.406 0.000 1.181 323 A CA 1.266 53.650 52.037 0.578 0.000 0.620 323 A CB -0.822 18.287 19.000 0.181 0.000 0.819 323 A HN 0.345 nan 8.150 nan 0.000 0.442 324 L N -0.399 120.874 121.223 0.083 0.000 2.042 324 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 324 L C 1.683 178.527 176.870 -0.043 0.000 1.076 324 L CA 1.446 56.130 54.840 -0.260 0.000 0.749 324 L CB -0.570 41.226 42.059 -0.438 0.000 0.893 324 L HN 0.279 nan 8.230 nan 0.000 0.432 325 D N -0.884 119.639 120.400 0.204 0.000 2.348 325 D HA -0.077 4.563 4.640 -0.000 0.000 0.216 325 D C 2.025 178.482 176.300 0.263 0.000 0.970 325 D CA 0.680 54.848 54.000 0.279 0.000 0.889 325 D CB 0.182 41.121 40.800 0.232 0.000 0.912 325 D HN 0.164 nan 8.370 nan 0.000 0.524 326 S N -0.433 115.474 115.700 0.346 0.000 2.575 326 S HA 0.030 4.500 4.470 -0.000 0.000 0.215 326 S C 0.340 175.075 174.600 0.225 0.000 0.966 326 S CA -0.344 58.035 58.200 0.299 0.000 0.911 326 S CB 0.184 63.669 63.200 0.475 0.000 0.780 326 S HN 0.182 nan 8.310 nan 0.000 0.514 327 Y N 1.764 122.128 120.300 0.105 0.000 2.326 327 Y HA 0.338 4.888 4.550 -0.000 0.000 0.333 327 Y C 0.403 176.328 175.900 0.041 0.000 1.240 327 Y CA -0.869 57.270 58.100 0.064 0.000 1.365 327 Y CB 0.416 38.887 38.460 0.019 0.000 1.289 327 Y HN 0.039 nan 8.280 nan 0.000 0.548 328 I N 2.854 123.485 120.570 0.101 0.000 2.439 328 I HA 0.356 4.525 4.170 -0.000 0.000 0.285 328 I C 0.695 176.864 176.117 0.088 0.000 1.021 328 I CA -0.362 60.982 61.300 0.073 0.000 1.091 328 I CB 0.805 38.806 38.000 0.002 0.000 1.242 328 I HN 0.823 nan 8.210 nan 0.000 0.439 329 G N 5.670 114.538 108.800 0.114 0.000 2.583 329 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.292 329 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.292 329 G C 0.642 175.644 174.900 0.170 0.000 1.203 329 G CA 0.720 45.885 45.100 0.109 0.000 0.987 329 G HN 0.778 nan 8.290 nan 0.000 0.554 330 T N -0.787 113.856 114.554 0.147 0.000 3.105 330 T HA 0.467 4.817 4.350 -0.000 0.000 0.253 330 T C 0.714 175.551 174.700 0.229 0.000 1.047 330 T CA 1.121 63.355 62.100 0.223 0.000 0.944 330 T CB -0.047 68.901 68.868 0.133 0.000 1.016 330 T HN 1.088 nan 8.240 nan 0.000 0.544 331 Q N 0.478 120.296 119.800 0.029 0.000 2.345 331 Q HA 0.611 4.951 4.340 -0.000 0.000 0.268 331 Q C -1.001 174.607 176.000 -0.655 0.000 1.054 331 Q CA -1.251 54.409 55.803 -0.239 0.000 0.835 331 Q CB 1.324 29.987 28.738 -0.126 0.000 1.339 331 Q HN 0.163 nan 8.270 nan 0.000 0.447 332 F N 2.545 121.829 119.950 -1.110 0.000 2.518 332 F HA 0.177 4.704 4.527 -0.000 0.000 0.359 332 F C -0.213 175.332 175.800 -0.425 0.000 1.118 332 F CA -0.219 57.167 58.000 -1.024 0.000 1.287 332 F CB 0.770 39.334 39.000 -0.726 0.000 1.132 332 F HN 0.741 nan 8.300 nan 0.000 0.587 333 N N 5.110 123.218 118.700 -0.987 0.000 2.626 333 N HA 0.045 4.785 4.740 -0.000 0.000 0.249 333 N C 0.675 175.642 175.510 -0.905 0.000 1.021 333 N CA -0.110 52.517 53.050 -0.705 0.000 0.886 333 N CB 0.982 39.271 38.487 -0.329 0.000 1.149 333 N HN 0.891 nan 8.380 nan 0.000 0.517 334 E N 1.923 121.613 120.200 -0.851 0.000 2.114 334 E HA -0.264 4.086 4.350 -0.000 0.000 0.199 334 E C 1.358 177.855 176.600 -0.172 0.000 1.008 334 E CA 1.779 57.888 56.400 -0.485 0.000 0.810 334 E CB 0.263 29.840 29.700 -0.204 0.000 0.739 334 E HN 0.533 nan 8.360 nan 0.000 0.456 335 Q N 0.319 120.029 119.800 -0.150 0.000 2.020 335 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 335 Q C 2.115 178.106 176.000 -0.015 0.000 0.982 335 Q CA 1.776 57.546 55.803 -0.055 0.000 0.838 335 Q CB -0.367 28.337 28.738 -0.057 0.000 0.899 335 Q HN 0.084 nan 8.270 nan 0.000 0.423 336 K N 0.007 120.379 120.400 -0.047 0.000 2.063 336 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 336 K C 1.916 178.565 176.600 0.081 0.000 1.048 336 K CA 1.065 57.358 56.287 0.009 0.000 0.928 336 K CB -0.767 31.732 32.500 -0.001 0.000 0.713 336 K HN 0.132 nan 8.250 nan 0.000 0.442 337 F N 0.519 120.426 119.950 -0.071 0.000 2.065 337 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 337 F C 1.772 177.644 175.800 0.119 0.000 1.112 337 F CA 2.041 60.081 58.000 0.067 0.000 1.212 337 F CB -0.428 38.643 39.000 0.118 0.000 0.975 337 F HN -0.059 nan 8.300 nan 0.000 0.476 338 V N -0.836 119.184 119.914 0.176 0.000 2.490 338 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 338 V C 1.959 178.116 176.094 0.104 0.000 1.061 338 V CA 2.090 64.456 62.300 0.109 0.000 1.064 338 V CB -1.196 30.690 31.823 0.105 0.000 0.670 338 V HN 0.410 nan 8.190 nan 0.000 0.461 339 E N 0.796 121.038 120.200 0.070 0.000 2.072 339 E HA -0.044 4.306 4.350 -0.000 0.000 0.190 339 E C 2.247 178.874 176.600 0.046 0.000 0.982 339 E CA 1.158 57.594 56.400 0.060 0.000 0.803 339 E CB -0.206 29.520 29.700 0.043 0.000 0.755 339 E HN 0.527 nan 8.360 nan 0.000 0.453 340 L N 0.183 121.417 121.223 0.017 0.000 2.156 340 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 340 L C 2.390 179.231 176.870 -0.048 0.000 1.095 340 L CA 0.624 55.458 54.840 -0.010 0.000 0.770 340 L CB -0.323 41.731 42.059 -0.010 0.000 0.914 340 L HN 0.116 nan 8.230 nan 0.000 0.439 341 F N 1.506 121.299 119.950 -0.263 0.000 2.051 341 F HA -0.239 4.288 4.527 -0.000 0.000 0.296 341 F C 2.216 177.935 175.800 -0.136 0.000 1.122 341 F CA 2.044 59.878 58.000 -0.276 0.000 1.201 341 F CB -0.404 38.372 39.000 -0.374 0.000 0.978 341 F HN 0.077 nan 8.300 nan 0.000 0.472 342 N N -0.156 118.633 118.700 0.148 0.000 2.104 342 N HA -0.264 4.476 4.740 -0.000 0.000 0.190 342 N C 1.921 177.426 175.510 -0.010 0.000 1.024 342 N CA 1.326 54.434 53.050 0.097 0.000 0.853 342 N CB -0.374 38.236 38.487 0.205 0.000 1.008 342 N HN 0.501 nan 8.380 nan 0.000 0.424 343 E N 1.444 121.644 120.200 -0.000 0.000 2.051 343 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 343 E C 1.898 178.490 176.600 -0.013 0.000 0.991 343 E CA 0.999 57.402 56.400 0.006 0.000 0.799 343 E CB 0.148 29.858 29.700 0.018 0.000 0.748 343 E HN 0.310 nan 8.360 nan 0.000 0.449 344 R N -0.556 119.900 120.500 -0.073 0.000 2.148 344 R HA -0.066 4.274 4.340 -0.000 0.000 0.223 344 R C 2.292 178.538 176.300 -0.090 0.000 1.088 344 R CA 1.024 57.084 56.100 -0.067 0.000 0.985 344 R CB -0.163 30.081 30.300 -0.094 0.000 0.880 344 R HN 0.207 nan 8.270 nan 0.000 0.451 345 M N 1.109 120.565 119.600 -0.239 0.000 2.086 345 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 345 M C 1.068 177.465 176.300 0.161 0.000 1.067 345 M CA 1.745 56.931 55.300 -0.190 0.000 1.116 345 M CB -0.179 32.027 32.600 -0.656 0.000 1.348 345 M HN -0.059 nan 8.290 nan 0.000 0.407 346 D N -0.494 119.967 120.400 0.102 0.000 2.178 346 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 346 D C 1.929 178.300 176.300 0.119 0.000 0.980 346 D CA 0.929 54.995 54.000 0.110 0.000 0.842 346 D CB -0.481 40.356 40.800 0.062 0.000 0.948 346 D HN 0.291 nan 8.370 nan 0.000 0.472 347 L N 0.614 121.910 121.223 0.121 0.000 2.012 347 L HA -0.173 4.166 4.340 -0.000 0.000 0.210 347 L C 2.155 179.076 176.870 0.085 0.000 1.073 347 L CA 1.668 56.604 54.840 0.159 0.000 0.748 347 L CB -0.736 41.406 42.059 0.139 0.000 0.891 347 L HN 0.053 nan 8.230 nan 0.000 0.431 348 C N -0.718 118.635 119.300 0.088 0.000 2.429 348 C HA -0.180 4.280 4.460 -0.000 0.000 0.277 348 C C 2.589 177.532 174.990 -0.078 0.000 1.262 348 C CA 0.902 59.973 59.018 0.087 0.000 1.733 348 C CB -1.407 26.474 27.740 0.235 0.000 2.010 348 C HN 0.727 nan 8.230 nan 0.000 0.483 349 F N 2.268 121.922 119.950 -0.494 0.000 2.069 349 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 349 F C 2.313 177.814 175.800 -0.499 0.000 1.113 349 F CA 2.328 59.662 58.000 -1.111 0.000 1.214 349 F CB -0.496 37.472 39.000 -1.720 0.000 0.978 349 F HN 0.107 nan 8.300 nan 0.000 0.474 350 E N 0.568 120.715 120.200 -0.089 0.000 2.097 350 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 350 E C 2.258 178.749 176.600 -0.181 0.000 1.000 350 E CA 1.581 57.964 56.400 -0.029 0.000 0.804 350 E CB -0.716 29.125 29.700 0.235 0.000 0.740 350 E HN 0.487 nan 8.360 nan 0.000 0.454 351 A N 0.077 122.792 122.820 -0.174 0.000 1.877 351 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 351 A C 2.294 179.769 177.584 -0.182 0.000 1.186 351 A CA 1.422 53.351 52.037 -0.180 0.000 0.620 351 A CB -0.713 18.217 19.000 -0.115 0.000 0.822 351 A HN 0.291 nan 8.150 nan 0.000 0.443 352 L N -1.185 119.920 121.223 -0.197 0.000 2.056 352 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 352 L C 2.583 179.299 176.870 -0.256 0.000 1.078 352 L CA 0.954 55.701 54.840 -0.155 0.000 0.749 352 L CB -0.395 41.673 42.059 0.015 0.000 0.901 352 L HN 0.315 nan 8.230 nan 0.000 0.433 353 M N -1.195 118.148 119.600 -0.428 0.000 2.460 353 M HA -0.179 4.300 4.480 -0.000 0.000 0.263 353 M C 2.397 178.555 176.300 -0.237 0.000 1.071 353 M CA 0.917 55.973 55.300 -0.407 0.000 1.096 353 M CB -1.588 30.633 32.600 -0.631 0.000 1.408 353 M HN 0.449 nan 8.290 nan 0.000 0.463 354 C N 0.634 119.812 119.300 -0.202 0.000 2.457 354 C HA -0.052 4.408 4.460 -0.000 0.000 0.278 354 C C 2.804 177.722 174.990 -0.120 0.000 1.309 354 C CA 0.705 59.642 59.018 -0.135 0.000 1.735 354 C CB -0.507 27.146 27.740 -0.144 0.000 1.992 354 C HN 0.499 nan 8.230 nan 0.000 0.493 355 R N 0.135 120.554 120.500 -0.136 0.000 2.173 355 R HA 0.181 4.521 4.340 -0.000 0.000 0.208 355 R C 2.060 178.290 176.300 -0.116 0.000 1.035 355 R CA 0.967 57.004 56.100 -0.104 0.000 1.004 355 R CB -0.227 30.018 30.300 -0.091 0.000 0.917 355 R HN 0.554 nan 8.270 nan 0.000 0.462 356 I N 0.468 120.921 120.570 -0.196 0.000 2.493 356 I HA -0.205 3.965 4.170 -0.000 0.000 0.254 356 I C 1.703 177.736 176.117 -0.139 0.000 1.160 356 I CA 1.148 62.290 61.300 -0.263 0.000 1.445 356 I CB -0.052 37.620 38.000 -0.548 0.000 1.086 356 I HN 0.044 nan 8.210 nan 0.000 0.433 357 S N 0.166 115.805 115.700 -0.102 0.000 2.496 357 S HA -0.080 4.390 4.470 -0.000 0.000 0.224 357 S C 2.086 176.678 174.600 -0.013 0.000 0.996 357 S CA 1.120 59.299 58.200 -0.035 0.000 0.927 357 S CB -0.069 63.115 63.200 -0.027 0.000 0.774 357 S HN 0.587 nan 8.310 nan 0.000 0.524 358 S N 1.653 117.340 115.700 -0.022 0.000 2.447 358 S HA 0.088 4.558 4.470 -0.000 0.000 0.233 358 S C 1.593 176.202 174.600 0.016 0.000 1.006 358 S CA 0.519 58.718 58.200 -0.003 0.000 0.957 358 S CB -0.525 62.673 63.200 -0.003 0.000 0.773 358 S HN 0.448 nan 8.310 nan 0.000 0.507 359 L N -0.193 121.045 121.223 0.025 0.000 2.313 359 L HA 0.191 4.531 4.340 -0.000 0.000 0.214 359 L C 0.836 177.731 176.870 0.042 0.000 1.119 359 L CA 0.256 55.130 54.840 0.056 0.000 0.809 359 L CB -0.423 41.705 42.059 0.114 0.000 0.933 359 L HN 0.091 nan 8.230 nan 0.000 0.449 360 K N 0.707 121.129 120.400 0.036 0.000 2.466 360 K HA 0.150 4.470 4.320 -0.000 0.000 0.278 360 K C 1.047 177.652 176.600 0.009 0.000 1.048 360 K CA 1.126 57.431 56.287 0.030 0.000 1.088 360 K CB 0.075 32.595 32.500 0.033 0.000 0.884 360 K HN 0.258 nan 8.250 nan 0.000 0.478 361 G N 1.295 110.092 108.800 -0.006 0.000 2.241 361 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.244 361 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.244 361 G C 0.102 174.982 174.900 -0.035 0.000 0.998 361 G CA 0.056 45.145 45.100 -0.018 0.000 0.621 361 G HN 0.751 nan 8.290 nan 0.000 0.519 362 V N 1.242 121.131 119.914 -0.041 0.000 2.614 362 V HA 0.668 4.787 4.120 -0.000 0.000 0.291 362 V C 0.483 176.511 176.094 -0.111 0.000 1.049 362 V CA -0.601 61.662 62.300 -0.061 0.000 1.038 362 V CB 1.200 32.994 31.823 -0.048 0.000 0.980 362 V HN 0.259 nan 8.190 nan 0.000 0.481 363 K N 4.546 124.884 120.400 -0.104 0.000 2.098 363 K HA 0.576 4.896 4.320 -0.000 0.000 0.244 363 K C 1.096 177.593 176.600 -0.173 0.000 1.014 363 K CA 0.040 56.252 56.287 -0.125 0.000 0.917 363 K CB 1.205 33.661 32.500 -0.074 0.000 1.072 363 K HN 0.843 nan 8.250 nan 0.000 0.477 364 A N 0.453 123.173 122.820 -0.167 0.000 2.168 364 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 364 A C 1.705 179.284 177.584 -0.007 0.000 1.152 364 A CA 1.732 53.691 52.037 -0.130 0.000 0.716 364 A CB -0.914 18.053 19.000 -0.054 0.000 0.794 364 A HN 0.796 nan 8.150 nan 0.000 0.465 365 T N -3.124 111.416 114.554 -0.024 0.000 2.977 365 T HA -0.085 4.264 4.350 -0.000 0.000 0.271 365 T C 1.546 176.256 174.700 0.018 0.000 1.105 365 T CA 1.189 63.289 62.100 -0.000 0.000 1.116 365 T CB -0.516 68.347 68.868 -0.010 0.000 0.878 365 T HN 0.069 nan 8.240 nan 0.000 0.509 366 V N 0.764 120.688 119.914 0.016 0.000 2.626 366 V HA 0.386 4.506 4.120 -0.000 0.000 0.252 366 V C 1.284 177.446 176.094 0.113 0.000 1.067 366 V CA 1.289 63.609 62.300 0.033 0.000 1.081 366 V CB -0.383 31.437 31.823 -0.005 0.000 0.686 366 V HN 0.841 nan 8.190 nan 0.000 0.468 367 A N -1.266 121.643 122.820 0.148 0.000 2.771 367 A HA 0.555 4.875 4.320 -0.000 0.000 0.301 367 A C -2.031 175.503 177.584 -0.083 0.000 1.194 367 A CA -0.465 51.608 52.037 0.060 0.000 0.837 367 A CB 0.587 19.659 19.000 0.120 0.000 1.438 367 A HN 0.213 nan 8.150 nan 0.000 0.436 368 P HA -0.190 nan 4.420 nan 0.000 0.215 368 P C 1.563 178.749 177.300 -0.189 0.000 1.157 368 P CA 1.760 64.799 63.100 -0.101 0.000 0.874 368 P CB -0.076 31.587 31.700 -0.062 0.000 0.790 369 I N -2.760 117.628 120.570 -0.304 0.000 2.264 369 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 369 I C 2.233 178.080 176.117 -0.451 0.000 1.111 369 I CA 1.674 62.788 61.300 -0.311 0.000 1.382 369 I CB -1.863 35.940 38.000 -0.328 0.000 1.060 369 I HN -0.106 nan 8.210 nan 0.000 0.418 370 L N -1.062 119.768 121.223 -0.656 0.000 2.023 370 L HA -0.128 4.211 4.340 -0.000 0.000 0.205 370 L C 2.473 178.728 176.870 -1.024 0.000 1.073 370 L CA 1.617 55.739 54.840 -1.197 0.000 0.745 370 L CB -0.685 40.356 42.059 -1.697 0.000 0.900 370 L HN 0.194 nan 8.230 nan 0.000 0.435 371 Y N -1.084 119.027 120.300 -0.316 0.000 2.479 371 Y HA 0.039 4.589 4.550 -0.000 0.000 0.283 371 Y C 2.566 178.416 175.900 -0.083 0.000 1.109 371 Y CA 0.189 58.210 58.100 -0.131 0.000 1.239 371 Y CB -0.038 38.377 38.460 -0.074 0.000 1.108 371 Y HN 0.096 nan 8.280 nan 0.000 0.548 372 Q N -0.346 119.476 119.800 0.036 0.000 2.259 372 Q HA 0.001 4.341 4.340 -0.000 0.000 0.201 372 Q C 0.727 176.735 176.000 0.014 0.000 0.938 372 Q CA 0.516 56.337 55.803 0.029 0.000 0.872 372 Q CB 0.430 29.182 28.738 0.024 0.000 0.971 372 Q HN 0.252 nan 8.270 nan 0.000 0.494 373 E N -0.495 119.692 120.200 -0.021 0.000 4.367 373 E HA 0.120 4.470 4.350 -0.000 0.000 0.345 373 E C 1.264 177.841 176.600 -0.038 0.000 1.312 373 E CA 0.289 56.701 56.400 0.020 0.000 2.005 373 E CB -0.452 29.290 29.700 0.070 0.000 1.642 373 E HN 0.192 nan 8.360 nan 0.000 0.783 374 G N -0.037 108.713 108.800 -0.083 0.000 2.551 374 G HA2 0.002 3.962 3.960 -0.000 0.000 0.216 374 G HA3 0.002 3.962 3.960 -0.000 0.000 0.216 374 G C 1.382 176.209 174.900 -0.122 0.000 1.137 374 G CA 0.931 45.977 45.100 -0.089 0.000 0.798 374 G HN 0.427 nan 8.290 nan 0.000 0.536 375 A N 1.345 124.025 122.820 -0.234 0.000 1.900 375 A HA -0.212 4.108 4.320 -0.000 0.000 0.225 375 A C 1.644 179.235 177.584 0.013 0.000 1.414 375 A CA 1.759 53.659 52.037 -0.229 0.000 0.702 375 A CB -0.804 17.905 19.000 -0.485 0.000 0.845 375 A HN 0.308 nan 8.150 nan 0.000 0.478 376 F N -0.016 119.833 119.950 -0.169 0.000 2.696 376 F HA 0.388 4.915 4.527 -0.000 0.000 0.296 376 F C 1.892 177.655 175.800 -0.061 0.000 1.181 376 F CA -0.264 57.662 58.000 -0.123 0.000 1.411 376 F CB -0.955 37.969 39.000 -0.126 0.000 1.014 376 F HN 0.518 nan 8.300 nan 0.000 0.512 377 G N 0.362 109.238 108.800 0.126 0.000 2.166 377 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 377 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 377 G C 0.238 175.192 174.900 0.089 0.000 0.986 377 G CA 0.606 45.759 45.100 0.088 0.000 0.683 377 G HN 0.606 nan 8.290 nan 0.000 0.527 378 V N -5.426 114.544 119.914 0.094 0.000 3.076 378 V HA 0.989 5.109 4.120 -0.000 0.000 0.311 378 V C -0.706 175.430 176.094 0.070 0.000 1.346 378 V CA -1.588 60.763 62.300 0.084 0.000 1.056 378 V CB 1.997 33.876 31.823 0.093 0.000 1.093 378 V HN 0.336 nan 8.190 nan 0.000 0.468 379 R N 1.049 121.587 120.500 0.063 0.000 2.631 379 R HA 0.590 4.930 4.340 -0.000 0.000 0.289 379 R C -1.939 174.389 176.300 0.047 0.000 1.303 379 R CA -0.351 55.781 56.100 0.053 0.000 0.989 379 R CB 1.284 31.611 30.300 0.046 0.000 1.208 379 R HN 0.650 nan 8.270 nan 0.000 0.461 380 L N 1.960 123.215 121.223 0.054 0.000 2.399 380 L HA 0.409 4.749 4.340 -0.000 0.000 0.265 380 L C 0.733 177.614 176.870 0.019 0.000 1.089 380 L CA -0.310 54.549 54.840 0.031 0.000 0.802 380 L CB 0.532 42.607 42.059 0.027 0.000 1.180 380 L HN 0.093 nan 8.230 nan 0.000 0.454 381 K N 2.424 122.826 120.400 0.002 0.000 2.185 381 K HA 0.235 4.555 4.320 -0.000 0.000 0.271 381 K C -1.633 174.961 176.600 -0.010 0.000 1.013 381 K CA -1.789 54.497 56.287 -0.001 0.000 0.943 381 K CB 0.844 33.341 32.500 -0.005 0.000 0.998 381 K HN 0.218 nan 8.250 nan 0.000 0.468 382 P HA -0.231 nan 4.420 nan 0.000 0.219 382 P C 0.227 177.510 177.300 -0.027 0.000 1.158 382 P CA 1.643 64.736 63.100 -0.012 0.000 0.895 382 P CB 0.154 31.850 31.700 -0.007 0.000 0.792 383 D N -2.320 118.064 120.400 -0.026 0.000 2.325 383 D HA 0.027 4.667 4.640 -0.000 0.000 0.234 383 D C -0.047 176.226 176.300 -0.045 0.000 1.122 383 D CA 0.063 54.043 54.000 -0.033 0.000 0.850 383 D CB -0.850 39.937 40.800 -0.023 0.000 0.921 383 D HN 0.106 nan 8.370 nan 0.000 0.513 384 D N 0.803 121.170 120.400 -0.055 0.000 2.313 384 D HA 0.182 4.822 4.640 -0.000 0.000 0.247 384 D C -0.137 176.096 176.300 -0.111 0.000 1.094 384 D CA -0.152 53.806 54.000 -0.069 0.000 0.925 384 D CB 0.945 41.707 40.800 -0.063 0.000 1.188 384 D HN -0.066 nan 8.370 nan 0.000 0.430 385 D N 0.609 120.939 120.400 -0.116 0.000 2.304 385 D HA 0.112 4.751 4.640 -0.000 0.000 0.250 385 D C 1.473 177.627 176.300 -0.244 0.000 1.107 385 D CA -0.316 53.595 54.000 -0.149 0.000 0.885 385 D CB 1.123 41.864 40.800 -0.098 0.000 1.192 385 D HN 0.369 nan 8.370 nan 0.000 0.436 386 I N 0.004 120.362 120.570 -0.353 0.000 2.761 386 I HA -0.028 4.142 4.170 -0.000 0.000 0.261 386 I C 1.883 177.630 176.117 -0.616 0.000 1.198 386 I CA 0.545 61.486 61.300 -0.598 0.000 1.482 386 I CB 0.028 37.491 38.000 -0.895 0.000 1.100 386 I HN 0.298 nan 8.210 nan 0.000 0.445 387 I N 1.676 122.071 120.570 -0.292 0.000 2.286 387 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 387 I C 2.376 178.380 176.117 -0.189 0.000 1.115 387 I CA 1.317 62.539 61.300 -0.129 0.000 1.392 387 I CB -0.129 37.913 38.000 0.070 0.000 1.065 387 I HN 0.244 nan 8.210 nan 0.000 0.418 388 E N 0.381 120.465 120.200 -0.193 0.000 2.267 388 E HA -0.244 4.106 4.350 -0.000 0.000 0.197 388 E C 1.961 178.443 176.600 -0.196 0.000 0.998 388 E CA 0.914 57.231 56.400 -0.138 0.000 0.830 388 E CB -0.420 29.220 29.700 -0.101 0.000 0.751 388 E HN 0.424 nan 8.360 nan 0.000 0.491 389 L N -0.186 120.798 121.223 -0.399 0.000 2.291 389 L HA -0.061 4.279 4.340 -0.000 0.000 0.214 389 L C 1.520 178.214 176.870 -0.293 0.000 1.120 389 L CA 1.363 55.978 54.840 -0.375 0.000 0.799 389 L CB -0.269 41.529 42.059 -0.436 0.000 0.925 389 L HN -0.099 nan 8.230 nan 0.000 0.446 390 F N -0.656 119.293 119.950 -0.002 0.000 2.698 390 F HA 0.239 4.766 4.527 -0.000 0.000 0.295 390 F C 1.430 177.196 175.800 -0.057 0.000 1.124 390 F CA -0.644 57.337 58.000 -0.031 0.000 1.426 390 F CB -0.943 38.103 39.000 0.076 0.000 1.120 390 F HN -0.110 nan 8.300 nan 0.000 0.583 391 K N 0.955 121.362 120.400 0.010 0.000 2.229 391 K HA -0.063 4.257 4.320 -0.000 0.000 0.250 391 K C 0.358 176.854 176.600 -0.173 0.000 1.016 391 K CA 0.300 56.412 56.287 -0.292 0.000 0.866 391 K CB -0.230 32.123 32.500 -0.245 0.000 1.028 391 K HN 0.183 nan 8.250 nan 0.000 0.514 392 N N 0.116 118.689 118.700 -0.211 0.000 2.688 392 N HA -0.256 4.484 4.740 -0.000 0.000 0.258 392 N C 0.446 176.071 175.510 0.192 0.000 1.016 392 N CA -0.011 53.047 53.050 0.012 0.000 0.747 392 N CB -1.254 37.295 38.487 0.103 0.000 0.895 392 N HN 0.953 nan 8.380 nan 0.000 0.543 393 G N -0.389 108.451 108.800 0.065 0.000 2.196 393 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.268 393 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.268 393 G C 0.863 175.618 174.900 -0.241 0.000 0.975 393 G CA 1.018 46.182 45.100 0.106 0.000 0.648 393 G HN 0.616 nan 8.290 nan 0.000 0.538 394 R N 0.546 120.692 120.500 -0.591 0.000 2.070 394 R HA 0.097 4.437 4.340 -0.000 0.000 0.233 394 R C 1.257 177.197 176.300 -0.601 0.000 1.137 394 R CA 1.636 56.989 56.100 -1.245 0.000 0.945 394 R CB -0.228 29.432 30.300 -1.067 0.000 0.845 394 R HN 0.426 nan 8.270 nan 0.000 0.430 395 S N 0.095 115.624 115.700 -0.285 0.000 2.585 395 S HA 0.200 4.669 4.470 -0.000 0.000 0.277 395 S C -0.359 174.133 174.600 -0.180 0.000 1.241 395 S CA -0.697 57.366 58.200 -0.229 0.000 1.041 395 S CB 1.778 64.867 63.200 -0.185 0.000 0.987 395 S HN 0.449 nan 8.310 nan 0.000 0.512 396 S N 1.170 116.742 115.700 -0.214 0.000 2.654 396 S HA 0.750 5.220 4.470 -0.000 0.000 0.283 396 S C -0.653 173.805 174.600 -0.236 0.000 1.180 396 S CA -0.647 57.453 58.200 -0.168 0.000 1.021 396 S CB 0.922 64.041 63.200 -0.135 0.000 1.018 396 S HN 0.404 nan 8.310 nan 0.000 0.532 397 V N 2.003 121.778 119.914 -0.232 0.000 2.638 397 V HA 0.501 4.621 4.120 -0.000 0.000 0.306 397 V C -0.339 175.714 176.094 -0.069 0.000 1.052 397 V CA -0.703 61.429 62.300 -0.280 0.000 0.885 397 V CB 2.009 33.448 31.823 -0.641 0.000 0.999 397 V HN 1.018 nan 8.190 nan 0.000 0.424 398 S N 5.341 121.009 115.700 -0.053 0.000 2.480 398 S HA 0.589 5.059 4.470 -0.000 0.000 0.286 398 S C -0.516 174.237 174.600 0.255 0.000 1.180 398 S CA -0.447 57.794 58.200 0.067 0.000 1.075 398 S CB 1.164 64.258 63.200 -0.176 0.000 0.996 398 S HN 0.616 nan 8.310 nan 0.000 0.487 399 L N 3.951 125.393 121.223 0.365 0.000 2.324 399 L HA 0.573 4.913 4.340 -0.000 0.000 0.274 399 L C 0.350 177.468 176.870 0.414 0.000 1.012 399 L CA -0.249 54.832 54.840 0.402 0.000 0.859 399 L CB 0.310 42.617 42.059 0.414 0.000 1.224 399 L HN 0.821 nan 8.230 nan 0.000 0.429 400 G N 3.327 112.370 108.800 0.405 0.000 2.502 400 G HA2 0.513 4.473 3.960 -0.000 0.000 0.305 400 G HA3 0.513 4.473 3.960 -0.000 0.000 0.305 400 G C -1.448 173.703 174.900 0.418 0.000 1.190 400 G CA -0.292 45.034 45.100 0.376 0.000 0.933 400 G HN 0.679 nan 8.290 nan 0.000 0.503 401 Y N -1.774 118.631 120.300 0.176 0.000 2.670 401 Y HA 0.794 5.344 4.550 -0.000 0.000 0.334 401 Y C -1.307 174.670 175.900 0.128 0.000 1.185 401 Y CA -1.923 56.275 58.100 0.163 0.000 1.053 401 Y CB 1.537 40.084 38.460 0.145 0.000 1.298 401 Y HN 0.770 nan 8.280 nan 0.000 0.459 402 I N 0.356 121.022 120.570 0.160 0.000 2.918 402 I HA 0.711 4.881 4.170 -0.000 0.000 0.301 402 I C 0.239 176.426 176.117 0.117 0.000 1.312 402 I CA 0.176 61.511 61.300 0.058 0.000 1.007 402 I CB 2.386 40.518 38.000 0.221 0.000 1.281 402 I HN 1.438 nan 8.210 nan 0.000 0.440 403 G N 6.282 115.122 108.800 0.068 0.000 2.386 403 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.295 403 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.295 403 G C 0.745 175.663 174.900 0.030 0.000 0.979 403 G CA 0.766 45.897 45.100 0.051 0.000 1.193 403 G HN 0.753 nan 8.290 nan 0.000 0.508 404 I N -0.756 119.873 120.570 0.099 0.000 2.361 404 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 404 I C 2.429 178.573 176.117 0.045 0.000 1.133 404 I CA 1.694 63.050 61.300 0.093 0.000 1.413 404 I CB -0.223 37.856 38.000 0.132 0.000 1.073 404 I HN 0.639 nan 8.210 nan 0.000 0.424 405 H N 1.558 120.621 119.070 -0.012 0.000 2.267 405 H HA -0.230 4.326 4.556 -0.000 0.000 0.297 405 H C 1.999 177.288 175.328 -0.066 0.000 1.080 405 H CA 2.203 58.241 56.048 -0.017 0.000 1.278 405 H CB 0.017 29.785 29.762 0.009 0.000 1.365 405 H HN 0.164 nan 8.280 nan 0.000 0.489 406 E N -0.003 120.073 120.200 -0.208 0.000 2.153 406 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 406 E C 2.235 178.644 176.600 -0.318 0.000 0.988 406 E CA 0.959 57.163 56.400 -0.327 0.000 0.811 406 E CB -0.379 29.101 29.700 -0.367 0.000 0.746 406 E HN 0.470 nan 8.360 nan 0.000 0.466 407 L N 0.945 122.025 121.223 -0.238 0.000 2.017 407 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 407 L C 1.492 178.218 176.870 -0.241 0.000 1.073 407 L CA 1.738 56.461 54.840 -0.194 0.000 0.745 407 L CB -0.516 41.500 42.059 -0.071 0.000 0.894 407 L HN 0.037 nan 8.230 nan 0.000 0.432 408 N N 0.018 118.595 118.700 -0.205 0.000 2.104 408 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 408 N C 1.854 177.213 175.510 -0.251 0.000 1.024 408 N CA 1.967 54.896 53.050 -0.202 0.000 0.853 408 N CB -0.403 38.010 38.487 -0.123 0.000 1.008 408 N HN 0.327 nan 8.380 nan 0.000 0.424 409 I N 1.479 121.873 120.570 -0.293 0.000 2.127 409 I HA -0.213 3.957 4.170 -0.000 0.000 0.241 409 I C 2.287 178.267 176.117 -0.228 0.000 1.075 409 I CA 0.847 61.995 61.300 -0.254 0.000 1.334 409 I CB -0.505 37.325 38.000 -0.284 0.000 1.040 409 I HN 0.087 nan 8.210 nan 0.000 0.405 410 L N -0.137 120.931 121.223 -0.258 0.000 2.127 410 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 410 L C 2.220 178.839 176.870 -0.418 0.000 1.089 410 L CA 1.328 56.035 54.840 -0.221 0.000 0.757 410 L CB -0.635 41.287 42.059 -0.228 0.000 0.899 410 L HN 0.326 nan 8.230 nan 0.000 0.434 411 V N -4.054 115.460 119.914 -0.667 0.000 3.647 411 V HA 0.484 4.604 4.120 -0.000 0.000 0.279 411 V C 1.350 177.115 176.094 -0.548 0.000 1.314 411 V CA 0.550 62.179 62.300 -1.118 0.000 1.125 411 V CB 0.081 31.195 31.823 -1.183 0.000 0.907 411 V HN 0.518 nan 8.190 nan 0.000 0.434 412 G N 1.734 110.342 108.800 -0.321 0.000 4.165 412 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.211 412 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.211 412 G C 0.465 175.282 174.900 -0.139 0.000 1.469 412 G CA 0.177 45.169 45.100 -0.180 0.000 0.964 412 G HN 0.765 nan 8.290 nan 0.000 0.613 413 R N 1.211 121.627 120.500 -0.139 0.000 2.542 413 R HA 0.657 4.997 4.340 -0.000 0.000 0.227 413 R C -0.339 175.907 176.300 -0.090 0.000 1.257 413 R CA -0.001 56.045 56.100 -0.091 0.000 1.053 413 R CB 0.068 30.326 30.300 -0.069 0.000 1.463 413 R HN 0.317 nan 8.270 nan 0.000 0.550 414 D N 0.632 121.005 120.400 -0.045 0.000 2.441 414 D HA 0.163 4.802 4.640 -0.000 0.000 0.231 414 D C 0.096 176.394 176.300 -0.002 0.000 1.073 414 D CA -0.574 53.421 54.000 -0.008 0.000 0.850 414 D CB 0.573 41.395 40.800 0.036 0.000 1.062 414 D HN 0.634 nan 8.370 nan 0.000 0.524 415 I N 0.907 121.470 120.570 -0.012 0.000 3.927 415 I HA 0.431 4.601 4.170 -0.000 0.000 0.332 415 I C 1.464 177.620 176.117 0.064 0.000 1.485 415 I CA -0.741 60.557 61.300 -0.002 0.000 1.131 415 I CB 0.599 38.569 38.000 -0.051 0.000 1.092 415 I HN 0.296 nan 8.210 nan 0.000 0.410 416 G N 2.443 111.328 108.800 0.142 0.000 2.628 416 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 416 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 416 G C 1.702 176.776 174.900 0.290 0.000 1.240 416 G CA 1.089 46.367 45.100 0.297 0.000 0.792 416 G HN 0.415 nan 8.290 nan 0.000 0.593 417 R N 0.752 121.335 120.500 0.138 0.000 2.105 417 R HA -0.076 4.263 4.340 -0.000 0.000 0.239 417 R C 2.691 178.972 176.300 -0.030 0.000 1.135 417 R CA 1.527 57.575 56.100 -0.088 0.000 0.967 417 R CB -0.236 29.918 30.300 -0.245 0.000 0.861 417 R HN 0.564 nan 8.270 nan 0.000 0.442 418 E N 1.040 121.235 120.200 -0.009 0.000 2.047 418 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 418 E C 2.029 178.623 176.600 -0.009 0.000 0.987 418 E CA 1.095 57.485 56.400 -0.018 0.000 0.799 418 E CB -0.587 29.099 29.700 -0.023 0.000 0.752 418 E HN 0.412 nan 8.360 nan 0.000 0.449 419 I N 0.230 120.805 120.570 0.008 0.000 2.394 419 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 419 I C 2.011 178.165 176.117 0.060 0.000 1.136 419 I CA 0.557 61.860 61.300 0.005 0.000 1.425 419 I CB 0.087 38.119 38.000 0.054 0.000 1.079 419 I HN -0.007 nan 8.210 nan 0.000 0.425 420 L N 0.514 121.756 121.223 0.031 0.000 2.201 420 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 420 L C 2.435 179.312 176.870 0.012 0.000 1.105 420 L CA 1.848 56.675 54.840 -0.023 0.000 0.775 420 L CB -1.216 40.828 42.059 -0.025 0.000 0.913 420 L HN 0.225 nan 8.230 nan 0.000 0.440 421 T N -1.460 113.104 114.554 0.017 0.000 2.851 421 T HA -0.119 4.231 4.350 -0.000 0.000 0.262 421 T C 1.938 176.667 174.700 0.049 0.000 1.043 421 T CA 0.819 62.929 62.100 0.016 0.000 1.140 421 T CB 0.071 68.934 68.868 -0.008 0.000 0.872 421 T HN 0.214 nan 8.240 nan 0.000 0.446 422 K N 0.682 121.127 120.400 0.075 0.000 2.152 422 K HA 0.016 4.336 4.320 -0.000 0.000 0.206 422 K C 2.293 179.077 176.600 0.308 0.000 1.048 422 K CA 1.177 57.556 56.287 0.153 0.000 0.933 422 K CB -0.174 32.383 32.500 0.096 0.000 0.721 422 K HN 0.346 nan 8.250 nan 0.000 0.447 423 M N 0.518 120.269 119.600 0.251 0.000 2.099 423 M HA -0.167 4.312 4.480 -0.000 0.000 0.262 423 M C 1.713 178.027 176.300 0.023 0.000 1.067 423 M CA 1.304 56.696 55.300 0.153 0.000 1.124 423 M CB -0.324 32.322 32.600 0.076 0.000 1.353 423 M HN 0.099 nan 8.290 nan 0.000 0.410 424 N N 0.867 119.581 118.700 0.024 0.000 2.137 424 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 424 N C 1.670 177.160 175.510 -0.033 0.000 1.017 424 N CA 1.720 54.769 53.050 -0.001 0.000 0.859 424 N CB -0.421 38.082 38.487 0.026 0.000 1.002 424 N HN 0.356 nan 8.380 nan 0.000 0.428 425 A N 1.312 124.125 122.820 -0.013 0.000 1.883 425 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 425 A C 1.973 179.465 177.584 -0.153 0.000 1.186 425 A CA 1.310 53.309 52.037 -0.063 0.000 0.624 425 A CB -0.873 18.090 19.000 -0.061 0.000 0.822 425 A HN 0.397 nan 8.150 nan 0.000 0.444 426 H N -1.199 117.729 119.070 -0.237 0.000 2.319 426 H HA -0.118 4.437 4.556 -0.000 0.000 0.299 426 H C 2.101 176.885 175.328 -0.906 0.000 1.092 426 H CA 1.797 57.566 56.048 -0.466 0.000 1.302 426 H CB -0.264 29.188 29.762 -0.517 0.000 1.373 426 H HN 0.332 nan 8.280 nan 0.000 0.497 427 L N 1.480 122.282 121.223 -0.702 0.000 2.042 427 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 427 L C 2.313 179.114 176.870 -0.115 0.000 1.076 427 L CA 1.548 56.046 54.840 -0.570 0.000 0.749 427 L CB -0.490 41.446 42.059 -0.206 0.000 0.893 427 L HN 0.105 nan 8.230 nan 0.000 0.432 428 K N -0.535 119.831 120.400 -0.057 0.000 2.097 428 K HA -0.146 4.173 4.320 -0.000 0.000 0.206 428 K C 2.005 178.662 176.600 0.095 0.000 1.049 428 K CA 1.171 57.491 56.287 0.056 0.000 0.933 428 K CB -0.487 32.030 32.500 0.028 0.000 0.717 428 K HN 0.527 nan 8.250 nan 0.000 0.442 429 Q N -0.914 118.908 119.800 0.036 0.000 2.123 429 Q HA -0.112 4.228 4.340 -0.000 0.000 0.199 429 Q C 1.980 178.147 176.000 0.277 0.000 0.966 429 Q CA 0.889 56.758 55.803 0.111 0.000 0.845 429 Q CB -0.119 28.653 28.738 0.057 0.000 0.907 429 Q HN 0.350 nan 8.270 nan 0.000 0.439 430 W N 0.891 122.211 121.300 0.033 0.000 2.335 430 W HA -0.118 4.542 4.660 -0.000 0.000 0.311 430 W C 2.307 179.027 176.519 0.336 0.000 1.213 430 W CA 1.203 58.585 57.345 0.062 0.000 1.274 430 W CB -1.269 28.015 29.460 -0.294 0.000 1.148 430 W HN 0.098 nan 8.180 nan 0.000 0.498 431 T N 0.215 115.146 114.554 0.629 0.000 2.788 431 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 431 T C 1.456 176.372 174.700 0.360 0.000 1.044 431 T CA 1.823 64.262 62.100 0.564 0.000 1.139 431 T CB -0.246 68.870 68.868 0.413 0.000 0.867 431 T HN 0.246 nan 8.240 nan 0.000 0.454 432 E N 0.271 120.633 120.200 0.270 0.000 2.285 432 E HA -0.000 4.349 4.350 -0.000 0.000 0.194 432 E C 2.314 179.023 176.600 0.182 0.000 0.997 432 E CA 0.350 56.861 56.400 0.185 0.000 0.845 432 E CB 0.028 29.806 29.700 0.131 0.000 0.782 432 E HN 0.311 nan 8.360 nan 0.000 0.491 433 R N 0.629 121.269 120.500 0.233 0.000 2.210 433 R HA -0.030 4.309 4.340 -0.000 0.000 0.203 433 R C 1.685 178.144 176.300 0.263 0.000 1.010 433 R CA 1.619 57.841 56.100 0.204 0.000 1.008 433 R CB 0.296 30.692 30.300 0.161 0.000 0.923 433 R HN 0.172 nan 8.270 nan 0.000 0.469 434 T N -5.415 109.360 114.554 0.368 0.000 2.954 434 T HA 0.256 4.606 4.350 -0.000 0.000 0.252 434 T C 1.240 176.070 174.700 0.217 0.000 0.983 434 T CA 0.451 62.798 62.100 0.413 0.000 0.941 434 T CB 0.970 70.278 68.868 0.732 0.000 1.141 434 T HN 0.248 nan 8.240 nan 0.000 0.500 435 G N 1.178 110.089 108.800 0.185 0.000 2.159 435 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.256 435 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.256 435 G C -0.213 174.610 174.900 -0.128 0.000 0.977 435 G CA -0.117 44.984 45.100 0.001 0.000 0.652 435 G HN 0.528 nan 8.290 nan 0.000 0.531 436 F N 1.183 121.241 119.950 0.181 0.000 2.408 436 F HA 0.663 5.190 4.527 -0.000 0.000 0.344 436 F C 0.924 176.723 175.800 -0.001 0.000 1.112 436 F CA -0.464 57.534 58.000 -0.003 0.000 1.096 436 F CB 1.833 40.717 39.000 -0.194 0.000 1.129 436 F HN 0.236 nan 8.300 nan 0.000 0.486 437 A N 5.469 128.355 122.820 0.111 0.000 2.906 437 A HA 0.279 4.599 4.320 -0.000 0.000 0.289 437 A C -0.468 177.153 177.584 0.061 0.000 1.675 437 A CA -0.189 51.917 52.037 0.114 0.000 1.372 437 A CB -1.567 17.476 19.000 0.071 0.000 1.091 437 A HN 0.535 nan 8.150 nan 0.000 0.579 438 F N 1.312 121.415 119.950 0.254 0.000 2.471 438 F HA 0.395 4.922 4.527 -0.000 0.000 0.353 438 F C 1.162 177.070 175.800 0.181 0.000 1.113 438 F CA 1.073 59.228 58.000 0.257 0.000 1.262 438 F CB 1.180 40.430 39.000 0.417 0.000 1.146 438 F HN 0.424 nan 8.300 nan 0.000 0.578 439 S N 3.233 119.134 115.700 0.335 0.000 2.579 439 S HA 0.514 4.984 4.470 -0.000 0.000 0.272 439 S C -1.326 173.442 174.600 0.281 0.000 1.141 439 S CA -0.904 57.448 58.200 0.252 0.000 0.843 439 S CB 1.017 64.329 63.200 0.187 0.000 1.122 439 S HN 0.589 nan 8.310 nan 0.000 0.468 440 L N 4.057 125.442 121.223 0.270 0.000 2.325 440 L HA 0.389 4.729 4.340 -0.000 0.000 0.284 440 L C -1.272 175.874 176.870 0.460 0.000 1.089 440 L CA -0.399 54.638 54.840 0.329 0.000 0.836 440 L CB 0.303 42.508 42.059 0.244 0.000 1.184 440 L HN 0.771 nan 8.230 nan 0.000 0.444 441 Y N 3.295 123.784 120.300 0.314 0.000 2.331 441 Y HA 0.240 4.790 4.550 -0.000 0.000 0.338 441 Y C 0.214 176.211 175.900 0.162 0.000 0.992 441 Y CA -0.914 57.319 58.100 0.221 0.000 1.121 441 Y CB 1.589 40.107 38.460 0.098 0.000 1.184 441 Y HN 0.420 nan 8.280 nan 0.000 0.469 442 S N 4.931 120.452 115.700 -0.298 0.000 3.869 442 S HA 0.081 4.551 4.470 -0.000 0.000 0.241 442 S C -0.207 173.814 174.600 -0.964 0.000 1.363 442 S CA -0.398 57.422 58.200 -0.633 0.000 0.894 442 S CB -0.918 62.136 63.200 -0.244 0.000 1.519 442 S HN 0.760 nan 8.310 nan 0.000 0.470 443 T N 4.939 118.934 114.554 -0.933 0.000 2.718 443 T HA -0.028 4.322 4.350 -0.000 0.000 0.265 443 T C -1.424 172.974 174.700 -0.503 0.000 1.014 443 T CA -0.505 61.176 62.100 -0.699 0.000 1.172 443 T CB 0.059 68.789 68.868 -0.230 0.000 1.007 443 T HN 0.283 nan 8.240 nan 0.000 0.500 444 P HA -0.062 nan 4.420 nan 0.000 0.217 444 P C 0.735 177.911 177.300 -0.207 0.000 1.148 444 P CA 1.244 64.166 63.100 -0.296 0.000 0.828 444 P CB -0.121 31.433 31.700 -0.243 0.000 0.783 445 A N -0.278 122.469 122.820 -0.122 0.000 2.154 445 A HA -0.258 4.062 4.320 -0.000 0.000 0.274 445 A C 1.458 178.986 177.584 -0.094 0.000 1.373 445 A CA 1.070 53.064 52.037 -0.072 0.000 0.751 445 A CB -1.900 17.043 19.000 -0.094 0.000 1.149 445 A HN 0.260 nan 8.150 nan 0.000 0.337 446 E N 0.662 120.854 120.200 -0.013 0.000 2.152 446 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 446 E C 1.565 178.178 176.600 0.022 0.000 0.983 446 E CA 2.002 58.425 56.400 0.040 0.000 0.818 446 E CB -0.002 29.858 29.700 0.267 0.000 0.758 446 E HN 0.762 nan 8.360 nan 0.000 0.467 447 N N -0.756 117.954 118.700 0.017 0.000 2.557 447 N HA -0.024 4.715 4.740 -0.000 0.000 0.217 447 N C 1.430 176.884 175.510 -0.092 0.000 1.062 447 N CA 0.226 53.304 53.050 0.046 0.000 0.863 447 N CB -0.311 38.208 38.487 0.053 0.000 1.390 447 N HN 0.115 nan 8.380 nan 0.000 0.445 448 L N 2.872 123.963 121.223 -0.220 0.000 2.197 448 L HA -0.164 4.176 4.340 -0.000 0.000 0.215 448 L C 2.518 179.204 176.870 -0.306 0.000 1.095 448 L CA 1.381 55.952 54.840 -0.449 0.000 0.764 448 L CB -0.992 40.727 42.059 -0.567 0.000 0.897 448 L HN 0.403 nan 8.230 nan 0.000 0.436 449 C N -2.312 116.841 119.300 -0.244 0.000 2.403 449 C HA -0.198 4.262 4.460 -0.000 0.000 0.282 449 C C 2.369 177.196 174.990 -0.272 0.000 1.297 449 C CA 0.602 59.483 59.018 -0.229 0.000 1.785 449 C CB -1.819 25.692 27.740 -0.382 0.000 1.963 449 C HN 0.564 nan 8.230 nan 0.000 0.507 450 Y N 1.011 121.282 120.300 -0.049 0.000 2.301 450 Y HA 0.173 4.723 4.550 -0.000 0.000 0.295 450 Y C 2.899 178.729 175.900 -0.117 0.000 1.126 450 Y CA 1.111 59.180 58.100 -0.050 0.000 1.154 450 Y CB -1.002 37.434 38.460 -0.039 0.000 1.075 450 Y HN 0.172 nan 8.280 nan 0.000 0.534 451 R N -0.142 120.338 120.500 -0.034 0.000 2.112 451 R HA -0.223 4.116 4.340 -0.000 0.000 0.242 451 R C 1.938 178.200 176.300 -0.063 0.000 1.137 451 R CA 2.213 58.231 56.100 -0.136 0.000 0.944 451 R CB -0.619 29.464 30.300 -0.362 0.000 0.857 451 R HN 0.176 nan 8.270 nan 0.000 0.435 452 F N 0.433 120.292 119.950 -0.152 0.000 2.095 452 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 452 F C 2.759 178.430 175.800 -0.216 0.000 1.104 452 F CA 1.043 58.976 58.000 -0.112 0.000 1.232 452 F CB -1.310 37.699 39.000 0.016 0.000 0.987 452 F HN 0.244 nan 8.300 nan 0.000 0.475 453 C N 0.440 119.558 119.300 -0.303 0.000 2.429 453 C HA -0.188 4.271 4.460 -0.000 0.000 0.277 453 C C 2.940 177.866 174.990 -0.106 0.000 1.262 453 C CA 1.341 60.076 59.018 -0.472 0.000 1.733 453 C CB -1.157 26.279 27.740 -0.505 0.000 2.010 453 C HN 0.455 nan 8.230 nan 0.000 0.483 454 K N -0.049 120.331 120.400 -0.035 0.000 2.026 454 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 454 K C 2.030 178.637 176.600 0.012 0.000 1.048 454 K CA 1.656 57.943 56.287 0.000 0.000 0.929 454 K CB -0.325 32.177 32.500 0.004 0.000 0.713 454 K HN 0.545 nan 8.250 nan 0.000 0.439 455 L N 0.866 122.108 121.223 0.032 0.000 2.056 455 L HA -0.196 4.143 4.340 -0.000 0.000 0.207 455 L C 2.068 178.968 176.870 0.050 0.000 1.078 455 L CA 1.149 56.014 54.840 0.040 0.000 0.749 455 L CB -0.452 41.650 42.059 0.071 0.000 0.901 455 L HN 0.194 nan 8.230 nan 0.000 0.433 456 D N -0.595 119.866 120.400 0.101 0.000 2.144 456 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 456 D C 2.154 178.534 176.300 0.134 0.000 0.984 456 D CA 1.471 55.571 54.000 0.167 0.000 0.834 456 D CB -0.166 40.811 40.800 0.294 0.000 0.955 456 D HN 0.225 nan 8.370 nan 0.000 0.465 457 T N 0.671 115.276 114.554 0.084 0.000 2.867 457 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 457 T C 1.633 176.341 174.700 0.015 0.000 1.057 457 T CA 0.743 62.881 62.100 0.062 0.000 1.136 457 T CB -0.075 68.814 68.868 0.035 0.000 0.874 457 T HN 0.280 nan 8.240 nan 0.000 0.466 458 E N 0.454 120.648 120.200 -0.011 0.000 2.265 458 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 458 E C 2.165 178.711 176.600 -0.089 0.000 0.996 458 E CA 0.702 57.080 56.400 -0.037 0.000 0.832 458 E CB 0.074 29.754 29.700 -0.033 0.000 0.756 458 E HN 0.339 nan 8.360 nan 0.000 0.491 459 K N -0.704 119.598 120.400 -0.164 0.000 2.313 459 K HA 0.014 4.334 4.320 -0.000 0.000 0.197 459 K C 0.599 176.902 176.600 -0.496 0.000 1.061 459 K CA 0.405 56.461 56.287 -0.385 0.000 0.980 459 K CB 0.551 32.692 32.500 -0.599 0.000 0.888 459 K HN 0.078 nan 8.250 nan 0.000 0.502 460 Y N -0.425 119.880 120.300 0.009 0.000 2.471 460 Y HA 0.272 4.822 4.550 -0.000 0.000 0.249 460 Y C 0.873 176.768 175.900 -0.008 0.000 1.116 460 Y CA 0.054 58.150 58.100 -0.005 0.000 1.240 460 Y CB 0.912 39.357 38.460 -0.024 0.000 1.251 460 Y HN 0.207 nan 8.280 nan 0.000 0.527 461 G N 0.621 109.482 108.800 0.102 0.000 2.601 461 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.261 461 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.261 461 G C 0.054 174.994 174.900 0.067 0.000 1.289 461 G CA -0.068 45.070 45.100 0.063 0.000 0.920 461 G HN 0.299 nan 8.290 nan 0.000 0.571 462 S N -1.035 114.687 115.700 0.038 0.000 2.525 462 S HA 0.422 4.892 4.470 -0.000 0.000 0.285 462 S C 0.194 174.803 174.600 0.015 0.000 1.283 462 S CA 0.151 58.364 58.200 0.022 0.000 1.072 462 S CB 0.152 63.358 63.200 0.009 0.000 0.867 462 S HN 1.367 nan 8.310 nan 0.000 0.492 463 V N 7.379 127.294 119.914 0.002 0.000 2.443 463 V HA 0.334 4.454 4.120 -0.000 0.000 0.293 463 V C 0.223 176.291 176.094 -0.043 0.000 1.021 463 V CA -1.004 61.276 62.300 -0.032 0.000 0.848 463 V CB 1.564 33.348 31.823 -0.065 0.000 0.998 463 V HN 0.888 nan 8.190 nan 0.000 0.424 464 K N 4.161 124.535 120.400 -0.043 0.000 2.473 464 K HA -0.060 4.259 4.320 -0.000 0.000 0.277 464 K C 0.547 177.113 176.600 -0.057 0.000 1.052 464 K CA 0.949 57.211 56.287 -0.043 0.000 1.114 464 K CB 0.085 32.566 32.500 -0.031 0.000 0.869 464 K HN 0.820 nan 8.250 nan 0.000 0.481 465 D N 1.173 121.539 120.400 -0.057 0.000 2.328 465 D HA -0.209 4.431 4.640 -0.000 0.000 0.167 465 D C 0.912 177.169 176.300 -0.072 0.000 1.205 465 D CA 1.478 55.443 54.000 -0.058 0.000 1.128 465 D CB -0.819 39.945 40.800 -0.060 0.000 1.157 465 D HN 0.340 nan 8.370 nan 0.000 0.468 466 V N 0.297 120.168 119.914 -0.071 0.000 2.423 466 V HA -0.000 4.120 4.120 -0.000 0.000 0.233 466 V C 2.374 178.532 176.094 0.106 0.000 1.067 466 V CA 2.356 64.634 62.300 -0.036 0.000 1.073 466 V CB -0.242 31.527 31.823 -0.090 0.000 0.715 466 V HN 0.452 nan 8.190 nan 0.000 0.485 467 T N -1.752 112.855 114.554 0.090 0.000 3.054 467 T HA 0.011 4.361 4.350 -0.000 0.000 0.255 467 T C 1.199 175.886 174.700 -0.022 0.000 1.035 467 T CA 0.588 62.738 62.100 0.084 0.000 0.941 467 T CB -0.150 68.786 68.868 0.114 0.000 1.026 467 T HN 0.551 nan 8.240 nan 0.000 0.533 468 D N 3.160 123.529 120.400 -0.053 0.000 2.097 468 D HA -0.222 4.418 4.640 -0.000 0.000 0.195 468 D C 1.951 178.186 176.300 -0.108 0.000 0.989 468 D CA 1.332 55.293 54.000 -0.064 0.000 0.827 468 D CB -0.381 40.384 40.800 -0.059 0.000 0.966 468 D HN 0.542 nan 8.370 nan 0.000 0.456 469 K N 0.231 120.489 120.400 -0.237 0.000 2.442 469 K HA -0.010 4.310 4.320 -0.000 0.000 0.198 469 K C 1.484 177.944 176.600 -0.234 0.000 1.042 469 K CA 1.327 57.391 56.287 -0.371 0.000 0.958 469 K CB -0.347 31.628 32.500 -0.873 0.000 0.766 469 K HN 0.403 nan 8.250 nan 0.000 0.474 470 G N 0.730 109.448 108.800 -0.136 0.000 2.159 470 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.227 470 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.227 470 G C -0.399 174.665 174.900 0.274 0.000 0.986 470 G CA 0.271 45.432 45.100 0.102 0.000 0.651 470 G HN 0.609 nan 8.290 nan 0.000 0.523 471 W N -1.268 120.044 121.300 0.020 0.000 3.059 471 W HA 0.768 5.428 4.660 -0.000 0.000 0.329 471 W C -1.588 174.942 176.519 0.019 0.000 1.246 471 W CA -2.633 54.649 57.345 -0.106 0.000 1.190 471 W CB 0.568 29.928 29.460 -0.167 0.000 1.423 471 W HN 0.083 nan 8.180 nan 0.000 0.571 472 Y N 1.960 122.408 120.300 0.247 0.000 2.387 472 Y HA 0.521 5.071 4.550 -0.000 0.000 0.336 472 Y C 1.218 177.297 175.900 0.298 0.000 1.067 472 Y CA -1.628 56.571 58.100 0.164 0.000 1.114 472 Y CB 1.379 39.918 38.460 0.132 0.000 1.208 472 Y HN 0.576 nan 8.280 nan 0.000 0.458 473 T N -0.464 114.326 114.554 0.393 0.000 2.856 473 T HA 0.054 4.404 4.350 -0.000 0.000 0.306 473 T C 0.283 175.042 174.700 0.097 0.000 1.062 473 T CA -0.816 61.448 62.100 0.275 0.000 1.083 473 T CB 0.539 69.516 68.868 0.183 0.000 0.984 473 T HN 0.626 nan 8.240 nan 0.000 0.542 474 N N 1.485 120.158 118.700 -0.046 0.000 2.470 474 N HA 0.034 4.774 4.740 -0.000 0.000 0.268 474 N C 1.272 176.428 175.510 -0.589 0.000 1.136 474 N CA 0.780 53.631 53.050 -0.332 0.000 0.961 474 N CB 0.551 38.781 38.487 -0.428 0.000 1.067 474 N HN 1.018 nan 8.380 nan 0.000 0.468 475 S N 4.187 119.567 115.700 -0.534 0.000 4.154 475 S HA -0.351 4.118 4.470 -0.000 0.000 0.538 475 S C 1.044 175.540 174.600 -0.174 0.000 1.296 475 S CA 1.988 59.900 58.200 -0.481 0.000 3.684 475 S CB -1.486 61.206 63.200 -0.847 0.000 1.955 475 S HN 0.751 nan 8.310 nan 0.000 0.461 476 F N 1.542 121.401 119.950 -0.152 0.000 2.641 476 F HA 0.543 5.069 4.527 -0.000 0.000 0.302 476 F C 0.883 176.598 175.800 -0.141 0.000 1.098 476 F CA -0.841 56.944 58.000 -0.359 0.000 1.318 476 F CB -1.230 37.209 39.000 -0.935 0.000 1.035 476 F HN 0.475 nan 8.300 nan 0.000 0.551 477 H N 1.182 120.007 119.070 -0.409 0.000 2.815 477 H HA 0.261 4.817 4.556 -0.000 0.000 0.350 477 H C 0.235 175.527 175.328 -0.059 0.000 1.080 477 H CA -0.562 55.361 56.048 -0.208 0.000 1.433 477 H CB 1.799 31.409 29.762 -0.253 0.000 1.432 477 H HN 0.204 nan 8.280 nan 0.000 0.592 478 V N 3.618 123.598 119.914 0.110 0.000 2.637 478 V HA -0.012 4.108 4.120 -0.000 0.000 0.296 478 V C 0.596 176.651 176.094 -0.065 0.000 1.046 478 V CA -0.241 62.083 62.300 0.039 0.000 1.066 478 V CB 1.333 33.196 31.823 0.068 0.000 0.968 478 V HN 0.857 nan 8.190 nan 0.000 0.483 479 S N 3.743 119.260 115.700 -0.303 0.000 2.599 479 S HA -0.051 4.418 4.470 -0.000 0.000 0.303 479 S C 1.182 175.731 174.600 -0.085 0.000 1.267 479 S CA 0.164 58.150 58.200 -0.357 0.000 1.055 479 S CB 0.710 63.465 63.200 -0.741 0.000 0.790 479 S HN 1.895 nan 8.310 nan 0.000 0.500 480 V N 2.354 122.289 119.914 0.035 0.000 3.186 480 V HA -0.036 4.084 4.120 -0.000 0.000 0.270 480 V C 1.547 177.688 176.094 0.077 0.000 1.149 480 V CA 1.808 64.155 62.300 0.078 0.000 1.160 480 V CB -1.050 30.858 31.823 0.140 0.000 0.758 480 V HN 0.857 nan 8.190 nan 0.000 0.516 481 E N 0.743 120.979 120.200 0.060 0.000 2.094 481 E HA 0.069 4.419 4.350 -0.000 0.000 0.193 481 E C 1.044 177.665 176.600 0.035 0.000 0.950 481 E CA 0.189 56.624 56.400 0.059 0.000 0.842 481 E CB 0.016 29.754 29.700 0.062 0.000 0.816 481 E HN 0.744 nan 8.360 nan 0.000 0.465 482 E N 2.294 122.502 120.200 0.012 0.000 2.900 482 E HA -0.134 4.216 4.350 -0.000 0.000 0.259 482 E C -0.620 176.000 176.600 0.034 0.000 0.918 482 E CA 0.038 56.453 56.400 0.025 0.000 0.960 482 E CB 0.236 29.946 29.700 0.016 0.000 0.908 482 E HN 0.037 nan 8.360 nan 0.000 0.511 483 N N 5.540 124.264 118.700 0.040 0.000 2.437 483 N HA 0.247 4.987 4.740 -0.000 0.000 0.243 483 N C -0.444 175.096 175.510 0.050 0.000 1.041 483 N CA -0.104 52.972 53.050 0.043 0.000 0.940 483 N CB 0.442 38.953 38.487 0.040 0.000 1.133 483 N HN 0.429 nan 8.380 nan 0.000 0.506 484 I N -1.621 118.984 120.570 0.058 0.000 2.802 484 I HA 0.414 4.584 4.170 -0.000 0.000 0.298 484 I C 0.539 176.708 176.117 0.085 0.000 1.176 484 I CA -1.017 60.325 61.300 0.071 0.000 1.025 484 I CB 2.016 40.063 38.000 0.077 0.000 1.243 484 I HN 0.124 nan 8.210 nan 0.000 0.424 485 T N 3.086 117.703 114.554 0.105 0.000 2.937 485 T HA 0.174 4.524 4.350 -0.000 0.000 0.316 485 T C -1.142 173.648 174.700 0.150 0.000 1.079 485 T CA -0.489 61.700 62.100 0.148 0.000 1.131 485 T CB 0.587 69.572 68.868 0.195 0.000 1.000 485 T HN 0.712 nan 8.240 nan 0.000 0.549 486 P HA -0.113 nan 4.420 nan 0.000 0.216 486 P C 1.227 178.496 177.300 -0.052 0.000 1.150 486 P CA 1.455 64.542 63.100 -0.021 0.000 0.837 486 P CB -0.148 31.455 31.700 -0.162 0.000 0.786 487 F N 0.604 120.615 119.950 0.101 0.000 2.259 487 F HA -0.052 4.475 4.527 -0.000 0.000 0.298 487 F C 2.642 178.566 175.800 0.206 0.000 1.088 487 F CA 1.050 59.147 58.000 0.161 0.000 1.358 487 F CB -1.198 37.645 39.000 -0.262 0.000 1.040 487 F HN -0.019 nan 8.300 nan 0.000 0.505 488 E N 1.139 121.509 120.200 0.282 0.000 2.107 488 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 488 E C 2.105 178.799 176.600 0.157 0.000 0.982 488 E CA 1.376 57.889 56.400 0.187 0.000 0.809 488 E CB -0.167 29.617 29.700 0.140 0.000 0.756 488 E HN 0.294 nan 8.360 nan 0.000 0.459 489 K N 0.387 120.872 120.400 0.142 0.000 2.007 489 K HA -0.063 4.256 4.320 -0.000 0.000 0.206 489 K C 2.301 178.974 176.600 0.120 0.000 1.047 489 K CA 1.510 57.870 56.287 0.122 0.000 0.937 489 K CB -0.416 32.144 32.500 0.101 0.000 0.718 489 K HN 0.395 nan 8.250 nan 0.000 0.438 490 I N -1.194 119.434 120.570 0.097 0.000 2.916 490 I HA -0.104 4.066 4.170 -0.000 0.000 0.267 490 I C 1.846 177.931 176.117 -0.054 0.000 1.263 490 I CA 1.212 62.522 61.300 0.018 0.000 1.471 490 I CB 0.051 37.978 38.000 -0.122 0.000 1.089 490 I HN 0.041 nan 8.210 nan 0.000 0.468 491 S N 0.936 116.650 115.700 0.024 0.000 2.439 491 S HA 0.082 4.552 4.470 -0.000 0.000 0.224 491 S C 2.092 176.724 174.600 0.054 0.000 1.029 491 S CA 0.368 58.557 58.200 -0.019 0.000 0.946 491 S CB -0.105 63.140 63.200 0.075 0.000 0.797 491 S HN 0.509 nan 8.310 nan 0.000 0.504 492 R N 0.667 121.235 120.500 0.113 0.000 2.119 492 R HA 0.103 4.443 4.340 -0.000 0.000 0.222 492 R C 1.993 178.447 176.300 0.257 0.000 1.088 492 R CA 1.453 57.651 56.100 0.163 0.000 0.984 492 R CB 0.048 30.450 30.300 0.169 0.000 0.884 492 R HN 0.498 nan 8.270 nan 0.000 0.447 493 E N -0.301 120.056 120.200 0.263 0.000 2.250 493 E HA 0.035 4.385 4.350 -0.000 0.000 0.192 493 E C 1.901 178.643 176.600 0.236 0.000 0.986 493 E CA 0.491 57.140 56.400 0.416 0.000 0.849 493 E CB 0.079 30.083 29.700 0.507 0.000 0.797 493 E HN 0.276 nan 8.360 nan 0.000 0.482 494 A N 3.256 126.097 122.820 0.035 0.000 1.909 494 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 494 A C 0.030 177.629 177.584 0.025 0.000 1.223 494 A CA 2.050 54.020 52.037 -0.111 0.000 0.658 494 A CB -1.778 17.191 19.000 -0.051 0.000 0.831 494 A HN 0.213 nan 8.150 nan 0.000 0.462 495 P HA -0.205 nan 4.420 nan 0.000 0.216 495 P C 1.011 178.260 177.300 -0.086 0.000 1.150 495 P CA 1.592 64.660 63.100 -0.053 0.000 0.843 495 P CB -0.373 31.192 31.700 -0.224 0.000 0.787 496 Y N -0.100 120.094 120.300 -0.176 0.000 2.256 496 Y HA -0.186 4.364 4.550 -0.000 0.000 0.288 496 Y C 2.870 178.524 175.900 -0.409 0.000 1.155 496 Y CA 1.322 59.170 58.100 -0.420 0.000 1.203 496 Y CB -1.557 36.237 38.460 -1.108 0.000 0.980 496 Y HN 0.221 nan 8.280 nan 0.000 0.530 497 H N -1.959 116.855 119.070 -0.426 0.000 2.457 497 H HA -0.168 4.388 4.556 -0.000 0.000 0.297 497 H C 1.209 176.033 175.328 -0.839 0.000 1.092 497 H CA 1.263 56.835 56.048 -0.793 0.000 1.309 497 H CB -0.235 29.156 29.762 -0.618 0.000 1.382 497 H HN 0.348 nan 8.280 nan 0.000 0.535 498 F N -0.765 119.059 119.950 -0.210 0.000 2.776 498 F HA 0.050 4.577 4.527 -0.000 0.000 0.300 498 F C 1.652 177.380 175.800 -0.121 0.000 1.116 498 F CA 0.073 57.981 58.000 -0.154 0.000 1.375 498 F CB 0.154 39.083 39.000 -0.118 0.000 1.109 498 F HN 0.033 nan 8.300 nan 0.000 0.585 499 I N 0.017 120.596 120.570 0.015 0.000 2.522 499 I HA 0.088 4.258 4.170 -0.000 0.000 0.240 499 I C 1.767 177.918 176.117 0.056 0.000 1.078 499 I CA 0.429 61.739 61.300 0.016 0.000 1.422 499 I CB -0.881 37.104 38.000 -0.026 0.000 1.188 499 I HN -0.112 nan 8.210 nan 0.000 0.442 500 A N 0.998 123.871 122.820 0.089 0.000 3.063 500 A HA 0.207 4.527 4.320 -0.000 0.000 0.263 500 A C 1.719 179.475 177.584 0.287 0.000 1.736 500 A CA 0.486 52.668 52.037 0.242 0.000 1.408 500 A CB -1.404 17.864 19.000 0.448 0.000 1.108 500 A HN 0.539 nan 8.150 nan 0.000 0.621 501 T N -1.257 113.422 114.554 0.209 0.000 2.699 501 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 501 T C 1.935 176.869 174.700 0.390 0.000 1.036 501 T CA 1.813 64.060 62.100 0.244 0.000 1.147 501 T CB -0.691 68.270 68.868 0.155 0.000 0.862 501 T HN 0.614 nan 8.240 nan 0.000 0.446 502 G N 1.595 110.608 108.800 0.356 0.000 2.475 502 G HA2 0.330 4.290 3.960 -0.000 0.000 0.220 502 G HA3 0.330 4.290 3.960 -0.000 0.000 0.220 502 G C 0.642 175.810 174.900 0.446 0.000 1.125 502 G CA 0.541 45.852 45.100 0.350 0.000 0.755 502 G HN 1.091 nan 8.290 nan 0.000 0.565 503 G N -0.565 108.561 108.800 0.543 0.000 2.750 503 G HA2 0.559 4.519 3.960 -0.000 0.000 0.298 503 G HA3 0.559 4.519 3.960 -0.000 0.000 0.298 503 G C -1.297 173.797 174.900 0.322 0.000 1.412 503 G CA -0.329 45.019 45.100 0.414 0.000 1.078 503 G HN 0.719 nan 8.290 nan 0.000 0.573 504 H N 0.776 120.015 119.070 0.281 0.000 3.003 504 H HA 0.774 5.330 4.556 -0.000 0.000 0.327 504 H C -2.013 173.386 175.328 0.118 0.000 1.353 504 H CA -0.971 55.192 56.048 0.192 0.000 1.142 504 H CB 1.953 31.773 29.762 0.098 0.000 1.864 504 H HN 0.718 nan 8.280 nan 0.000 0.529 505 I N 0.725 121.360 120.570 0.109 0.000 2.842 505 I HA 0.278 4.448 4.170 -0.000 0.000 0.296 505 I C -1.185 174.940 176.117 0.014 0.000 1.538 505 I CA -0.092 61.116 61.300 -0.153 0.000 0.994 505 I CB 2.488 40.131 38.000 -0.595 0.000 1.372 505 I HN 0.741 nan 8.210 nan 0.000 0.478 506 S N 5.048 120.739 115.700 -0.014 0.000 2.594 506 S HA 0.696 5.166 4.470 -0.000 0.000 0.296 506 S C -1.339 173.132 174.600 -0.215 0.000 1.124 506 S CA -0.347 57.874 58.200 0.035 0.000 1.011 506 S CB 1.225 64.719 63.200 0.490 0.000 1.016 506 S HN 0.351 nan 8.310 nan 0.000 0.485 507 Y N 1.031 121.177 120.300 -0.255 0.000 2.496 507 Y HA 0.783 5.333 4.550 -0.000 0.000 0.331 507 Y C 0.191 176.005 175.900 -0.143 0.000 1.140 507 Y CA -1.266 56.649 58.100 -0.309 0.000 1.166 507 Y CB 1.305 39.563 38.460 -0.336 0.000 1.249 507 Y HN 0.384 nan 8.280 nan 0.000 0.479 508 V N 2.105 122.053 119.914 0.056 0.000 2.888 508 V HA 0.432 4.552 4.120 -0.000 0.000 0.309 508 V C -1.276 174.821 176.094 0.005 0.000 1.114 508 V CA -0.731 61.618 62.300 0.083 0.000 0.940 508 V CB 2.086 34.044 31.823 0.224 0.000 1.021 508 V HN 0.739 nan 8.190 nan 0.000 0.426 509 E N 5.116 125.318 120.200 0.003 0.000 2.174 509 E HA 0.579 4.929 4.350 -0.000 0.000 0.282 509 E C -1.393 175.206 176.600 -0.001 0.000 0.992 509 E CA -0.371 56.016 56.400 -0.022 0.000 0.803 509 E CB 1.989 31.678 29.700 -0.019 0.000 1.090 509 E HN 0.417 nan 8.360 nan 0.000 0.396 510 L N 3.927 125.142 121.223 -0.012 0.000 2.393 510 L HA 0.464 4.803 4.340 -0.000 0.000 0.260 510 L C -2.363 174.503 176.870 -0.007 0.000 1.002 510 L CA -1.882 52.959 54.840 0.002 0.000 0.818 510 L CB 1.786 43.852 42.059 0.010 0.000 1.369 510 L HN 0.289 nan 8.230 nan 0.000 0.412 511 P HA 0.106 nan 4.420 nan 0.000 0.286 511 P C -0.983 176.315 177.300 -0.002 0.000 1.293 511 P CA -0.575 62.527 63.100 0.004 0.000 0.770 511 P CB 0.363 32.071 31.700 0.013 0.000 1.206 512 D N 0.752 121.154 120.400 0.004 0.000 2.487 512 D HA -0.028 4.612 4.640 -0.000 0.000 0.243 512 D C 0.325 176.625 176.300 0.000 0.000 1.154 512 D CA 0.712 54.713 54.000 0.003 0.000 0.876 512 D CB 0.406 41.225 40.800 0.031 0.000 1.161 512 D HN 0.136 nan 8.370 nan 0.000 0.478 513 M N 3.255 122.845 119.600 -0.017 0.000 2.347 513 M HA 0.063 4.543 4.480 -0.000 0.000 0.324 513 M C 1.506 177.787 176.300 -0.033 0.000 1.028 513 M CA -0.158 55.127 55.300 -0.024 0.000 0.988 513 M CB -0.116 32.459 32.600 -0.042 0.000 1.528 513 M HN 0.297 nan 8.290 nan 0.000 0.550 514 K N 1.303 121.686 120.400 -0.028 0.000 2.228 514 K HA -0.183 4.137 4.320 -0.000 0.000 0.205 514 K C 1.062 177.648 176.600 -0.024 0.000 1.045 514 K CA 1.654 57.922 56.287 -0.032 0.000 0.931 514 K CB -0.016 32.463 32.500 -0.034 0.000 0.727 514 K HN 0.410 nan 8.250 nan 0.000 0.458 515 N N -0.455 118.240 118.700 -0.008 0.000 2.368 515 N HA -0.061 4.678 4.740 -0.000 0.000 0.178 515 N C 0.402 175.909 175.510 -0.005 0.000 1.076 515 N CA 0.168 53.218 53.050 -0.001 0.000 0.889 515 N CB 0.315 38.812 38.487 0.016 0.000 1.040 515 N HN -0.011 nan 8.380 nan 0.000 0.463 516 N N 1.096 119.791 118.700 -0.008 0.000 2.994 516 N HA 0.123 4.863 4.740 -0.000 0.000 0.306 516 N C 0.352 175.844 175.510 -0.030 0.000 1.348 516 N CA -0.067 52.978 53.050 -0.007 0.000 1.109 516 N CB -0.118 38.371 38.487 0.004 0.000 1.415 516 N HN 0.025 nan 8.380 nan 0.000 0.529 517 L N 0.419 121.614 121.223 -0.046 0.000 2.131 517 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 517 L C 1.968 178.787 176.870 -0.085 0.000 1.092 517 L CA 1.338 56.123 54.840 -0.092 0.000 0.759 517 L CB -0.214 41.788 42.059 -0.095 0.000 0.903 517 L HN 0.137 nan 8.230 nan 0.000 0.435 518 K N -0.365 120.019 120.400 -0.027 0.000 2.103 518 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 518 K C 2.093 178.704 176.600 0.019 0.000 1.048 518 K CA 1.213 57.505 56.287 0.010 0.000 0.930 518 K CB -1.207 31.314 32.500 0.035 0.000 0.716 518 K HN 0.351 nan 8.250 nan 0.000 0.444 519 G N 0.817 109.626 108.800 0.015 0.000 2.446 519 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 519 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 519 G C 1.497 176.414 174.900 0.027 0.000 1.168 519 G CA 0.737 45.865 45.100 0.045 0.000 0.771 519 G HN 0.262 nan 8.290 nan 0.000 0.551 520 L N 0.185 121.373 121.223 -0.059 0.000 1.994 520 L HA -0.054 4.285 4.340 -0.000 0.000 0.208 520 L C 2.817 179.567 176.870 -0.200 0.000 1.071 520 L CA 2.132 56.880 54.840 -0.152 0.000 0.745 520 L CB -0.376 41.504 42.059 -0.298 0.000 0.892 520 L HN 0.427 nan 8.230 nan 0.000 0.431 521 E N -0.300 119.775 120.200 -0.208 0.000 2.209 521 E HA -0.255 4.094 4.350 -0.000 0.000 0.196 521 E C 1.954 178.627 176.600 0.122 0.000 0.993 521 E CA 1.051 57.395 56.400 -0.095 0.000 0.819 521 E CB 0.049 29.730 29.700 -0.032 0.000 0.745 521 E HN 0.613 nan 8.360 nan 0.000 0.477 522 A N 0.288 123.190 122.820 0.135 0.000 1.855 522 A HA -0.132 4.187 4.320 -0.000 0.000 0.215 522 A C 2.376 180.139 177.584 0.297 0.000 1.191 522 A CA 1.478 53.662 52.037 0.244 0.000 0.613 522 A CB -0.658 18.505 19.000 0.271 0.000 0.829 522 A HN 0.208 nan 8.150 nan 0.000 0.442 523 V N -1.934 118.091 119.914 0.184 0.000 2.295 523 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 523 V C 2.335 178.553 176.094 0.207 0.000 1.049 523 V CA 1.775 64.115 62.300 0.066 0.000 1.024 523 V CB -1.188 30.684 31.823 0.082 0.000 0.648 523 V HN 0.735 nan 8.190 nan 0.000 0.447 524 W N 0.948 122.313 121.300 0.108 0.000 2.317 524 W HA -0.160 4.500 4.660 -0.000 0.000 0.318 524 W C 2.400 178.944 176.519 0.040 0.000 1.227 524 W CA 1.592 59.007 57.345 0.116 0.000 1.269 524 W CB -1.204 28.357 29.460 0.168 0.000 1.155 524 W HN 0.321 nan 8.180 nan 0.000 0.484 525 D N -1.674 118.946 120.400 0.368 0.000 2.116 525 D HA -0.253 4.387 4.640 -0.000 0.000 0.193 525 D C 1.900 178.368 176.300 0.279 0.000 0.998 525 D CA 1.761 55.932 54.000 0.285 0.000 0.836 525 D CB -1.097 39.887 40.800 0.306 0.000 0.951 525 D HN 0.167 nan 8.370 nan 0.000 0.449 526 Y N 1.293 121.690 120.300 0.161 0.000 2.242 526 Y HA -0.089 4.460 4.550 -0.000 0.000 0.291 526 Y C 2.190 178.130 175.900 0.067 0.000 1.137 526 Y CA 1.232 59.438 58.100 0.175 0.000 1.181 526 Y CB -0.522 38.078 38.460 0.233 0.000 0.989 526 Y HN -0.049 nan 8.280 nan 0.000 0.527 527 A N 0.458 123.148 122.820 -0.217 0.000 1.855 527 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 527 A C 2.492 179.943 177.584 -0.222 0.000 1.191 527 A CA 1.995 53.717 52.037 -0.525 0.000 0.613 527 A CB -1.591 16.598 19.000 -1.353 0.000 0.829 527 A HN 0.544 nan 8.150 nan 0.000 0.442 528 A N -0.933 121.828 122.820 -0.098 0.000 1.997 528 A HA -0.290 4.030 4.320 -0.000 0.000 0.221 528 A C 2.141 179.728 177.584 0.005 0.000 1.172 528 A CA 2.458 54.490 52.037 -0.008 0.000 0.645 528 A CB -0.544 18.475 19.000 0.031 0.000 0.813 528 A HN 0.612 nan 8.150 nan 0.000 0.454 529 Q N -0.865 118.946 119.800 0.018 0.000 2.020 529 Q HA -0.155 4.185 4.340 -0.000 0.000 0.198 529 Q C 1.776 177.677 176.000 -0.165 0.000 0.974 529 Q CA 2.379 58.161 55.803 -0.036 0.000 0.829 529 Q CB -0.347 28.402 28.738 0.020 0.000 0.894 529 Q HN 0.796 nan 8.270 nan 0.000 0.433 530 H N -1.226 117.744 119.070 -0.166 0.000 2.431 530 H HA 0.212 4.768 4.556 -0.000 0.000 0.295 530 H C -0.078 175.239 175.328 -0.018 0.000 1.038 530 H CA 0.963 56.926 56.048 -0.142 0.000 1.360 530 H CB 0.112 29.681 29.762 -0.321 0.000 1.433 530 H HN 0.258 nan 8.280 nan 0.000 0.536 531 L N -2.597 118.627 121.223 0.000 0.000 2.211 531 L HA 0.486 4.826 4.340 -0.000 0.000 0.259 531 L C 0.847 177.757 176.870 0.067 0.000 1.031 531 L CA -0.972 53.822 54.840 -0.076 0.000 0.877 531 L CB 0.392 42.108 42.059 -0.571 0.000 1.457 531 L HN -0.207 nan 8.230 nan 0.000 0.466 532 D N -1.089 119.490 120.400 0.299 0.000 2.306 532 D HA -0.030 4.609 4.640 -0.000 0.000 0.239 532 D C -0.314 176.222 176.300 0.394 0.000 1.105 532 D CA 0.934 55.095 54.000 0.268 0.000 0.950 532 D CB 0.043 40.944 40.800 0.170 0.000 1.036 532 D HN 0.463 nan 8.370 nan 0.000 0.428 533 Y N 0.927 121.426 120.300 0.332 0.000 2.425 533 Y HA 0.393 4.943 4.550 -0.000 0.000 0.347 533 Y C -1.224 174.889 175.900 0.355 0.000 0.976 533 Y CA -1.530 56.716 58.100 0.243 0.000 1.190 533 Y CB -0.416 38.156 38.460 0.188 0.000 1.136 533 Y HN -0.076 nan 8.280 nan 0.000 0.517 534 F N 3.851 123.911 119.950 0.182 0.000 2.563 534 F HA 0.825 5.352 4.527 -0.000 0.000 0.316 534 F C -0.504 175.244 175.800 -0.087 0.000 1.076 534 F CA -0.831 57.173 58.000 0.006 0.000 0.921 534 F CB 2.310 41.323 39.000 0.022 0.000 1.209 534 F HN 0.554 nan 8.300 nan 0.000 0.462 535 G N 3.246 111.441 108.800 -1.009 0.000 2.753 535 G HA2 0.522 4.482 3.960 -0.000 0.000 0.297 535 G HA3 0.522 4.482 3.960 -0.000 0.000 0.297 535 G C -2.444 171.977 174.900 -0.800 0.000 1.430 535 G CA -0.725 43.980 45.100 -0.658 0.000 1.040 535 G HN 0.970 nan 8.290 nan 0.000 0.530 536 V N 2.053 121.675 119.914 -0.487 0.000 2.378 536 V HA 0.688 4.808 4.120 -0.000 0.000 0.288 536 V C -0.911 175.065 176.094 -0.197 0.000 1.016 536 V CA -1.086 61.052 62.300 -0.270 0.000 0.840 536 V CB 1.050 32.888 31.823 0.026 0.000 0.994 536 V HN 0.866 nan 8.190 nan 0.000 0.431 537 N N 7.156 125.702 118.700 -0.256 0.000 2.421 537 N HA 0.762 5.502 4.740 -0.000 0.000 0.285 537 N C -0.509 174.898 175.510 -0.171 0.000 1.027 537 N CA -0.740 52.145 53.050 -0.274 0.000 0.918 537 N CB 1.677 39.909 38.487 -0.425 0.000 1.152 537 N HN 0.784 nan 8.380 nan 0.000 0.485 538 M N -1.416 118.098 119.600 -0.143 0.000 2.846 538 M HA 0.705 5.184 4.480 -0.000 0.000 0.282 538 M C -2.810 173.428 176.300 -0.104 0.000 1.266 538 M CA -2.152 53.091 55.300 -0.096 0.000 0.766 538 M CB 1.828 34.389 32.600 -0.066 0.000 1.739 538 M HN 0.200 nan 8.290 nan 0.000 0.442 539 P HA 0.284 nan 4.420 nan 0.000 0.279 539 P C -0.939 176.299 177.300 -0.103 0.000 1.239 539 P CA -0.302 62.743 63.100 -0.091 0.000 0.789 539 P CB 1.213 32.874 31.700 -0.065 0.000 0.933 540 V N -0.386 119.450 119.914 -0.130 0.000 2.454 540 V HA 0.474 4.594 4.120 -0.000 0.000 0.267 540 V C -1.019 174.983 176.094 -0.152 0.000 0.993 540 V CA -0.653 61.573 62.300 -0.123 0.000 0.836 540 V CB 1.092 32.847 31.823 -0.112 0.000 1.055 540 V HN 0.319 nan 8.190 nan 0.000 0.452 541 D N 2.999 123.302 120.400 -0.163 0.000 2.350 541 D HA 0.616 5.256 4.640 -0.000 0.000 0.238 541 D C -0.881 175.336 176.300 -0.138 0.000 0.989 541 D CA -0.510 53.367 54.000 -0.204 0.000 0.921 541 D CB 3.078 43.705 40.800 -0.288 0.000 1.297 541 D HN 0.628 nan 8.370 nan 0.000 0.490 542 K N 0.544 120.864 120.400 -0.133 0.000 2.581 542 K HA 0.288 4.607 4.320 -0.000 0.000 0.249 542 K C -1.557 175.002 176.600 -0.068 0.000 0.966 542 K CA -0.585 55.675 56.287 -0.044 0.000 0.811 542 K CB 1.910 34.453 32.500 0.072 0.000 1.223 542 K HN 0.541 nan 8.250 nan 0.000 0.438 543 C N 6.170 125.457 119.300 -0.022 0.000 2.394 543 C HA 0.348 4.808 4.460 -0.000 0.000 0.362 543 C C 1.498 176.589 174.990 0.168 0.000 1.268 543 C CA -0.647 58.359 59.018 -0.020 0.000 1.828 543 C CB -1.072 26.668 27.740 -0.001 0.000 2.442 543 C HN 0.879 nan 8.230 nan 0.000 0.549 544 F N 3.346 123.282 119.950 -0.023 0.000 2.234 544 F HA -0.042 4.485 4.527 -0.000 0.000 0.299 544 F C 2.568 178.363 175.800 -0.009 0.000 1.087 544 F CA 1.795 59.785 58.000 -0.016 0.000 1.340 544 F CB -1.350 37.642 39.000 -0.012 0.000 1.031 544 F HN 0.754 nan 8.300 nan 0.000 0.500 545 T N -2.092 112.572 114.554 0.182 0.000 2.706 545 T HA -0.178 4.172 4.350 -0.000 0.000 0.255 545 T C 2.181 176.924 174.700 0.071 0.000 1.048 545 T CA 1.364 63.525 62.100 0.102 0.000 1.153 545 T CB -1.339 67.570 68.868 0.070 0.000 0.865 545 T HN 0.395 nan 8.240 nan 0.000 0.414 546 C N 1.367 120.703 119.300 0.060 0.000 2.539 546 C HA 0.641 5.101 4.460 -0.000 0.000 0.268 546 C C 2.442 177.460 174.990 0.046 0.000 1.395 546 C CA -0.305 58.742 59.018 0.047 0.000 1.757 546 C CB -1.379 26.387 27.740 0.043 0.000 1.851 546 C HN 1.079 nan 8.230 nan 0.000 0.545 547 G N 0.962 109.798 108.800 0.059 0.000 2.184 547 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.264 547 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.264 547 G C 0.289 175.196 174.900 0.012 0.000 0.975 547 G CA 0.668 45.795 45.100 0.045 0.000 0.642 547 G HN 1.184 nan 8.290 nan 0.000 0.536 548 S N 0.174 115.881 115.700 0.012 0.000 2.562 548 S HA 0.493 4.963 4.470 -0.000 0.000 0.281 548 S C 1.492 176.035 174.600 -0.095 0.000 1.333 548 S CA 1.343 59.525 58.200 -0.031 0.000 1.052 548 S CB 0.856 64.097 63.200 0.069 0.000 0.884 548 S HN 1.322 nan 8.310 nan 0.000 0.506 549 T N 1.612 116.020 114.554 -0.245 0.000 3.182 549 T HA 0.302 4.652 4.350 -0.000 0.000 0.277 549 T C 0.252 174.815 174.700 -0.229 0.000 1.013 549 T CA -0.455 61.522 62.100 -0.205 0.000 0.900 549 T CB -0.309 68.451 68.868 -0.179 0.000 1.098 549 T HN 0.676 nan 8.240 nan 0.000 0.543 550 H N 1.739 120.787 119.070 -0.036 0.000 2.603 550 H HA 0.348 4.904 4.556 -0.000 0.000 0.370 550 H C 0.330 175.624 175.328 -0.058 0.000 1.225 550 H CA -0.380 55.646 56.048 -0.037 0.000 1.410 550 H CB 0.759 30.506 29.762 -0.023 0.000 1.495 550 H HN 0.480 nan 8.280 nan 0.000 0.602 551 E N 1.247 121.499 120.200 0.087 0.000 2.415 551 E HA 0.013 4.363 4.350 -0.000 0.000 0.263 551 E C -0.051 176.554 176.600 0.009 0.000 0.995 551 E CA -0.460 55.943 56.400 0.006 0.000 0.915 551 E CB 0.526 30.235 29.700 0.014 0.000 0.951 551 E HN 0.255 nan 8.360 nan 0.000 0.449 552 M N 2.551 122.116 119.600 -0.059 0.000 2.043 552 M HA 0.089 4.568 4.480 -0.000 0.000 0.272 552 M C -0.203 176.176 176.300 0.133 0.000 1.279 552 M CA 0.708 56.006 55.300 -0.004 0.000 1.109 552 M CB 1.012 33.512 32.600 -0.166 0.000 1.377 552 M HN 0.419 nan 8.290 nan 0.000 0.469 553 T N 3.521 118.190 114.554 0.191 0.000 2.770 553 T HA 0.501 4.850 4.350 -0.000 0.000 0.283 553 T C -2.573 172.232 174.700 0.175 0.000 0.988 553 T CA -1.141 61.052 62.100 0.155 0.000 0.957 553 T CB 1.010 69.924 68.868 0.077 0.000 0.930 553 T HN 0.424 nan 8.240 nan 0.000 0.443 554 P HA 0.248 nan 4.420 nan 0.000 0.271 554 P C -0.706 176.531 177.300 -0.105 0.000 1.220 554 P CA -0.129 62.910 63.100 -0.102 0.000 0.768 554 P CB 0.583 32.237 31.700 -0.078 0.000 0.848 555 T N 2.173 116.621 114.554 -0.176 0.000 2.906 555 T HA 0.146 4.496 4.350 -0.000 0.000 0.295 555 T C 1.143 175.764 174.700 -0.130 0.000 1.061 555 T CA -0.518 61.514 62.100 -0.113 0.000 1.000 555 T CB 1.502 70.324 68.868 -0.076 0.000 1.103 555 T HN 0.285 nan 8.240 nan 0.000 0.486 556 E N 1.376 121.524 120.200 -0.086 0.000 2.331 556 E HA -0.107 4.243 4.350 -0.000 0.000 0.199 556 E C 0.711 177.260 176.600 -0.084 0.000 1.008 556 E CA 0.978 57.331 56.400 -0.078 0.000 0.843 556 E CB -0.002 29.668 29.700 -0.051 0.000 0.761 556 E HN 0.413 nan 8.360 nan 0.000 0.507 557 N N -0.029 118.620 118.700 -0.085 0.000 2.235 557 N HA 0.204 4.944 4.740 -0.000 0.000 0.231 557 N C 0.652 176.104 175.510 -0.096 0.000 1.177 557 N CA 0.725 53.729 53.050 -0.076 0.000 0.874 557 N CB 1.864 40.322 38.487 -0.049 0.000 1.097 557 N HN 0.167 nan 8.380 nan 0.000 0.518 558 G N 0.552 109.254 108.800 -0.164 0.000 2.318 558 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.367 558 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.367 558 G C -1.529 173.208 174.900 -0.272 0.000 1.260 558 G CA -0.980 43.985 45.100 -0.225 0.000 1.055 558 G HN 0.007 nan 8.290 nan 0.000 0.484 559 F N 0.501 120.425 119.950 -0.044 0.000 2.379 559 F HA 0.649 5.176 4.527 -0.000 0.000 0.332 559 F C 0.995 176.770 175.800 -0.042 0.000 1.096 559 F CA 0.042 58.014 58.000 -0.045 0.000 1.105 559 F CB 1.978 40.942 39.000 -0.060 0.000 1.189 559 F HN 0.705 nan 8.300 nan 0.000 0.515 560 V N -0.189 119.841 119.914 0.194 0.000 2.686 560 V HA 0.430 4.550 4.120 -0.000 0.000 0.306 560 V C -0.698 175.441 176.094 0.075 0.000 1.065 560 V CA -1.335 61.020 62.300 0.091 0.000 0.894 560 V CB 0.844 32.698 31.823 0.052 0.000 1.004 560 V HN 0.943 nan 8.190 nan 0.000 0.424 561 C N 4.158 123.482 119.300 0.040 0.000 2.576 561 C HA 0.415 4.875 4.460 -0.000 0.000 0.401 561 C C 2.102 177.110 174.990 0.031 0.000 1.314 561 C CA 0.851 59.886 59.018 0.028 0.000 1.855 561 C CB 0.070 27.820 27.740 0.016 0.000 2.537 561 C HN 1.116 nan 8.230 nan 0.000 0.578 562 S N 4.491 120.211 115.700 0.033 0.000 2.354 562 S HA -0.174 4.296 4.470 -0.000 0.000 0.219 562 S C 0.989 175.599 174.600 0.017 0.000 1.035 562 S CA 1.752 59.964 58.200 0.020 0.000 1.037 562 S CB -0.257 62.947 63.200 0.006 0.000 0.956 562 S HN 0.910 nan 8.310 nan 0.000 0.428 563 I N -1.068 119.519 120.570 0.029 0.000 2.410 563 I HA 0.539 4.709 4.170 -0.000 0.000 0.288 563 I C 0.515 176.654 176.117 0.036 0.000 1.106 563 I CA -0.470 60.849 61.300 0.031 0.000 1.389 563 I CB 0.071 38.099 38.000 0.047 0.000 1.561 563 I HN 0.400 nan 8.210 nan 0.000 0.605 564 C N 1.799 121.115 119.300 0.027 0.000 5.970 564 C HA 0.227 4.686 4.460 -0.000 0.000 0.289 564 C C 1.754 176.757 174.990 0.020 0.000 0.802 564 C CA 0.547 59.580 59.018 0.025 0.000 2.338 564 C CB -0.427 27.331 27.740 0.030 0.000 1.815 564 C HN 1.044 nan 8.230 nan 0.000 0.367 565 G N 1.502 110.313 108.800 0.020 0.000 2.212 565 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.266 565 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.266 565 G C -0.211 174.700 174.900 0.017 0.000 0.978 565 G CA 1.422 46.532 45.100 0.017 0.000 0.632 565 G HN 1.304 nan 8.290 nan 0.000 0.537 566 E N 1.130 121.339 120.200 0.016 0.000 2.568 566 E HA 0.366 4.716 4.350 -0.000 0.000 0.262 566 E C 1.569 178.177 176.600 0.012 0.000 0.961 566 E CA 1.417 57.824 56.400 0.011 0.000 0.945 566 E CB 0.451 30.153 29.700 0.003 0.000 0.924 566 E HN 0.684 nan 8.360 nan 0.000 0.467 567 T N -0.087 114.473 114.554 0.010 0.000 3.009 567 T HA 0.103 4.453 4.350 -0.000 0.000 0.267 567 T C 0.125 174.830 174.700 0.009 0.000 0.942 567 T CA -0.101 62.009 62.100 0.016 0.000 0.883 567 T CB -0.010 68.865 68.868 0.012 0.000 1.192 567 T HN 0.386 nan 8.240 nan 0.000 0.524 568 D N 3.301 123.701 120.400 -0.000 0.000 2.371 568 D HA 0.243 4.883 4.640 -0.000 0.000 0.256 568 D C -1.644 174.641 176.300 -0.026 0.000 1.193 568 D CA -2.200 51.797 54.000 -0.004 0.000 0.881 568 D CB 1.710 42.513 40.800 0.004 0.000 1.143 568 D HN 0.006 nan 8.370 nan 0.000 0.473 569 P HA -0.096 nan 4.420 nan 0.000 0.218 569 P C 0.602 177.860 177.300 -0.071 0.000 1.149 569 P CA 1.253 64.333 63.100 -0.034 0.000 0.817 569 P CB 0.204 31.904 31.700 -0.001 0.000 0.785 570 K N -0.512 119.873 120.400 -0.025 0.000 2.555 570 K HA -0.007 4.313 4.320 -0.000 0.000 0.193 570 K C 0.935 177.558 176.600 0.040 0.000 1.032 570 K CA 0.654 56.952 56.287 0.017 0.000 1.004 570 K CB 0.008 32.535 32.500 0.046 0.000 0.804 570 K HN 0.089 nan 8.250 nan 0.000 0.496 571 K N 0.808 121.165 120.400 -0.072 0.000 2.593 571 K HA 0.228 4.548 4.320 -0.000 0.000 0.208 571 K C -0.094 176.186 176.600 -0.533 0.000 1.051 571 K CA 0.094 56.340 56.287 -0.067 0.000 1.111 571 K CB 0.443 32.948 32.500 0.008 0.000 0.849 571 K HN 0.222 nan 8.250 nan 0.000 0.479 572 M N -2.212 116.751 119.600 -1.062 0.000 2.790 572 M HA 0.308 4.788 4.480 -0.000 0.000 0.272 572 M C -1.506 174.154 176.300 -1.067 0.000 1.168 572 M CA -0.779 53.783 55.300 -1.230 0.000 0.829 572 M CB 1.618 33.910 32.600 -0.513 0.000 1.675 572 M HN -0.212 nan 8.290 nan 0.000 0.505 573 N N 1.649 119.930 118.700 -0.698 0.000 2.626 573 N HA 0.356 5.095 4.740 -0.000 0.000 0.249 573 N C -1.523 173.835 175.510 -0.253 0.000 1.021 573 N CA -0.101 52.775 53.050 -0.290 0.000 0.886 573 N CB 1.387 39.875 38.487 0.002 0.000 1.149 573 N HN 0.816 nan 8.380 nan 0.000 0.517 574 T N 1.900 116.285 114.554 -0.281 0.000 2.853 574 T HA 0.419 4.769 4.350 -0.000 0.000 0.317 574 T C 0.134 174.698 174.700 -0.226 0.000 1.059 574 T CA -0.712 61.166 62.100 -0.370 0.000 0.954 574 T CB 0.499 68.948 68.868 -0.698 0.000 0.994 574 T HN 0.173 nan 8.240 nan 0.000 0.479 575 I N 3.184 123.640 120.570 -0.189 0.000 2.460 575 I HA 0.635 4.804 4.170 -0.000 0.000 0.298 575 I C 0.379 176.415 176.117 -0.134 0.000 0.989 575 I CA -1.001 60.219 61.300 -0.133 0.000 1.173 575 I CB 1.547 39.474 38.000 -0.122 0.000 1.338 575 I HN 0.588 nan 8.210 nan 0.000 0.456 576 R N 3.472 123.906 120.500 -0.109 0.000 2.604 576 R HA 0.306 4.646 4.340 -0.000 0.000 0.270 576 R C -0.668 175.547 176.300 -0.143 0.000 1.052 576 R CA -0.858 55.172 56.100 -0.117 0.000 0.902 576 R CB 2.317 32.584 30.300 -0.055 0.000 1.233 576 R HN 0.555 nan 8.270 nan 0.000 0.455 577 R N 1.484 121.855 120.500 -0.215 0.000 2.755 577 R HA 0.196 4.536 4.340 -0.000 0.000 0.268 577 R C 0.097 176.243 176.300 -0.257 0.000 1.295 577 R CA 0.113 56.050 56.100 -0.272 0.000 1.379 577 R CB 0.263 30.290 30.300 -0.455 0.000 1.170 577 R HN 0.564 nan 8.270 nan 0.000 0.584 578 T N 0.968 115.426 114.554 -0.159 0.000 2.674 578 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 578 T C 1.081 175.682 174.700 -0.165 0.000 1.039 578 T CA 1.096 63.107 62.100 -0.149 0.000 1.150 578 T CB 0.017 68.822 68.868 -0.105 0.000 0.864 578 T HN 0.568 nan 8.240 nan 0.000 0.427 579 C N -0.009 119.215 119.300 -0.127 0.000 2.982 579 C HA 0.769 5.229 4.460 -0.000 0.000 0.091 579 C C 2.922 177.856 174.990 -0.093 0.000 2.445 579 C CA 0.020 58.976 59.018 -0.104 0.000 1.201 579 C CB -0.448 27.235 27.740 -0.095 0.000 2.073 579 C HN 0.518 nan 8.230 nan 0.000 0.508 580 A N -1.039 121.688 122.820 -0.155 0.000 1.956 580 A HA 0.397 4.716 4.320 -0.000 0.000 0.212 580 A C 0.317 177.659 177.584 -0.403 0.000 1.188 580 A CA 0.952 52.792 52.037 -0.329 0.000 0.675 580 A CB -0.335 18.274 19.000 -0.651 0.000 0.845 580 A HN 0.737 nan 8.150 nan 0.000 0.455 581 Y N -1.668 118.646 120.300 0.023 0.000 2.631 581 Y HA 0.653 5.203 4.550 -0.000 0.000 0.328 581 Y C -0.183 175.660 175.900 -0.096 0.000 1.118 581 Y CA -1.829 56.276 58.100 0.009 0.000 1.206 581 Y CB 0.183 38.691 38.460 0.080 0.000 1.337 581 Y HN -0.067 nan 8.280 nan 0.000 0.515 582 L N 1.072 122.329 121.223 0.056 0.000 2.371 582 L HA 0.688 5.028 4.340 -0.000 0.000 0.272 582 L C 0.490 177.346 176.870 -0.024 0.000 1.124 582 L CA 0.291 55.087 54.840 -0.073 0.000 0.816 582 L CB 0.634 42.612 42.059 -0.134 0.000 1.129 582 L HN 0.858 nan 8.230 nan 0.000 0.448 583 G N 1.591 110.369 108.800 -0.038 0.000 2.660 583 G HA2 0.259 4.219 3.960 -0.000 0.000 0.290 583 G HA3 0.259 4.219 3.960 -0.000 0.000 0.290 583 G C -1.631 173.260 174.900 -0.015 0.000 1.432 583 G CA -0.565 44.529 45.100 -0.010 0.000 0.807 583 G HN 0.403 nan 8.290 nan 0.000 0.485 584 N N 1.024 119.727 118.700 0.005 0.000 2.501 584 N HA 0.488 5.228 4.740 -0.000 0.000 0.245 584 N C -1.903 173.642 175.510 0.059 0.000 0.974 584 N CA -0.928 52.136 53.050 0.023 0.000 0.941 584 N CB 1.130 39.623 38.487 0.010 0.000 1.122 584 N HN 0.254 nan 8.380 nan 0.000 0.507 585 P HA 0.000 nan 4.420 nan 0.000 0.216 585 P CA 0.000 63.145 63.100 0.076 0.000 0.800 585 P CB 0.000 31.761 31.700 0.102 0.000 0.726