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 2wvy_1_C DATA FIRST_RESID 22 DATA SEQUENCE SKKTVEFVDY VNPLMGTESX XXXXXXNTYP AVAVPWGMNF WSPQTGENGS DATA SEQUENCE GWMYTYTDSL MRGFRQTHQP SPWINDYGTF SIMPLAGELK MSHKERLVPF DATA SEQUENCE SHQQEKATPY NYSVTFNNGL QTSLSATSRG AVFEVSFPEK EDQYVVVDAY DATA SEQUENCE NGGSSITIEP EKRLVKGATR YNNGGVPDNF ANYFMMEFSH PVIEYGTYNG DATA SEQUENCE DTLLHHQTDV AADYTCAYLK FDVPAGEKLT IRTASSFISP EQAAINFNRE DATA SEQUENCE VADADVQLIS GKAREQWNNY LGRVEAEGGT DEQLRTFYSC LYRTLLFPRE DATA SEQUENCE FYEFDSQGNP VYYSPYDGNV HDGYMYTDNG FWDTFRAVHP LFTLLYPEVS DATA SEQUENCE ERVTQSIINA YNESGFMPEW ASPGHRGCMI GNNSVSLLVD AWMKGIQTVD DATA SEQUENCE AEKALEAMIH QTQARHAEIA SVGRDGFEYY DKLGYVPYPE VPEATAKTLE DATA SEQUENCE YAYADWCIAR FAESLGKQDI ADQYYQKAPN YRNLYYPEHG FMWTKDAKGN DATA SEQUENCE WRDRFDATEW GGPFTEGSSW HWTWSVFHDP EGLSELMGGH EPMIARLDSM DATA SEQUENCE FVAPNTYNYG TYGFVIHEIA EMVALNMGQY AHGNQPVQHA IYLYDYIGQP DATA SEQUENCE WKTQYHLRNV MDKLYNSGSK GYCGDEDNGQ TSAWYVFSAM GFYPVCPGMP DATA SEQUENCE EYAIGSPLFK KVTLHLPEGK NFVVSAADNA ADRPYIRKAL LNGQEFTRNY DATA SEQUENCE LTHDELKQGG ELNLSMDSVP NQQRGTQPAD FPYSYSK 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 22 S HA 0.000 nan 4.470 nan 0.000 0.327 22 S C 0.000 174.563 174.600 -0.062 0.000 1.055 22 S CA 0.000 58.177 58.200 -0.038 0.000 1.107 22 S CB 0.000 63.182 63.200 -0.029 0.000 0.593 23 K N 1.733 122.095 120.400 -0.063 0.000 2.412 23 K HA 0.367 4.687 4.320 -0.001 0.000 0.281 23 K C -0.702 175.839 176.600 -0.097 0.000 1.027 23 K CA 0.313 56.551 56.287 -0.082 0.000 0.989 23 K CB 0.230 32.689 32.500 -0.068 0.000 0.935 23 K HN 0.603 nan 8.250 nan 0.000 0.475 24 K N 2.156 122.475 120.400 -0.135 0.000 2.328 24 K HA 0.192 4.512 4.320 -0.001 0.000 0.246 24 K C 0.798 177.313 176.600 -0.141 0.000 0.955 24 K CA -0.806 55.395 56.287 -0.144 0.000 0.817 24 K CB 1.831 34.209 32.500 -0.204 0.000 1.208 24 K HN 0.504 nan 8.250 nan 0.000 0.432 25 T N 0.050 114.535 114.554 -0.115 0.000 2.684 25 T HA -0.072 4.277 4.350 -0.001 0.000 0.267 25 T C 0.706 175.318 174.700 -0.145 0.000 1.036 25 T CA 0.958 62.994 62.100 -0.107 0.000 1.148 25 T CB 0.129 68.951 68.868 -0.077 0.000 0.863 25 T HN 0.214 nan 8.240 nan 0.000 0.436 26 V N 2.844 122.653 119.914 -0.175 0.000 2.347 26 V HA 0.308 4.428 4.120 -0.001 0.000 0.280 26 V C -0.039 175.840 176.094 -0.359 0.000 1.021 26 V CA -0.812 61.325 62.300 -0.273 0.000 0.847 26 V CB 1.537 33.188 31.823 -0.287 0.000 0.990 26 V HN 0.263 nan 8.190 nan 0.000 0.444 27 E N 2.757 122.730 120.200 -0.377 0.000 2.280 27 E HA 0.359 4.709 4.350 -0.001 0.000 0.261 27 E C 0.602 176.959 176.600 -0.404 0.000 1.088 27 E CA -0.524 55.627 56.400 -0.416 0.000 0.915 27 E CB 1.016 30.555 29.700 -0.269 0.000 1.141 27 E HN 0.455 nan 8.360 nan 0.000 0.433 28 F N 0.308 120.152 119.950 -0.176 0.000 2.120 28 F HA -0.196 4.331 4.527 -0.001 0.000 0.300 28 F C 2.336 178.019 175.800 -0.195 0.000 1.095 28 F CA 0.860 58.678 58.000 -0.304 0.000 1.249 28 F CB -0.885 37.867 39.000 -0.412 0.000 0.995 28 F HN 0.285 nan 8.300 nan 0.000 0.480 29 V N 0.296 120.256 119.914 0.077 0.000 2.759 29 V HA -0.208 3.911 4.120 -0.001 0.000 0.256 29 V C 1.613 177.701 176.094 -0.009 0.000 1.080 29 V CA 1.922 64.265 62.300 0.071 0.000 1.101 29 V CB -0.504 31.404 31.823 0.140 0.000 0.698 29 V HN 0.229 nan 8.190 nan 0.000 0.477 30 D N -0.832 119.494 120.400 -0.124 0.000 2.310 30 D HA -0.128 4.511 4.640 -0.001 0.000 0.212 30 D C 1.576 177.744 176.300 -0.220 0.000 0.965 30 D CA 1.121 55.002 54.000 -0.199 0.000 0.879 30 D CB -0.093 40.510 40.800 -0.330 0.000 0.921 30 D HN 0.606 nan 8.370 nan 0.000 0.510 31 Y N 0.416 120.726 120.300 0.017 0.000 2.523 31 Y HA 0.064 4.613 4.550 -0.001 0.000 0.279 31 Y C 1.010 176.939 175.900 0.048 0.000 1.139 31 Y CA -0.164 57.985 58.100 0.082 0.000 1.296 31 Y CB 0.065 38.664 38.460 0.232 0.000 1.045 31 Y HN -0.271 nan 8.280 nan 0.000 0.538 32 V N 2.064 122.022 119.914 0.073 0.000 2.508 32 V HA 0.034 4.153 4.120 -0.001 0.000 0.281 32 V C -0.023 175.952 176.094 -0.198 0.000 1.041 32 V CA -0.471 61.766 62.300 -0.105 0.000 1.016 32 V CB 0.725 32.316 31.823 -0.387 0.000 0.984 32 V HN 0.213 nan 8.190 nan 0.000 0.478 33 N N 6.904 125.509 118.700 -0.157 0.000 2.558 33 N HA 0.399 5.139 4.740 -0.001 0.000 0.242 33 N C -1.955 173.452 175.510 -0.172 0.000 0.979 33 N CA -2.246 50.712 53.050 -0.152 0.000 0.931 33 N CB 2.046 40.490 38.487 -0.072 0.000 1.122 33 N HN 0.207 nan 8.380 nan 0.000 0.508 34 P HA 0.001 nan 4.420 nan 0.000 0.226 34 P C 0.965 178.266 177.300 0.002 0.000 1.153 34 P CA 0.815 63.834 63.100 -0.135 0.000 0.777 34 P CB 0.342 31.915 31.700 -0.211 0.000 0.794 35 L N -2.138 119.080 121.223 -0.009 0.000 2.552 35 L HA 0.104 4.444 4.340 -0.001 0.000 0.227 35 L C 1.451 178.336 176.870 0.025 0.000 1.146 35 L CA -0.085 54.782 54.840 0.046 0.000 0.858 35 L CB -0.592 41.511 42.059 0.073 0.000 0.969 35 L HN 0.094 nan 8.230 nan 0.000 0.451 36 M N 0.857 120.465 119.600 0.013 0.000 2.303 36 M HA 0.155 4.634 4.480 -0.001 0.000 0.350 36 M C 1.038 177.423 176.300 0.141 0.000 1.518 36 M CA 1.252 56.558 55.300 0.010 0.000 1.070 36 M CB 0.173 32.754 32.600 -0.033 0.000 1.910 36 M HN 0.273 nan 8.290 nan 0.000 0.458 37 G N 2.781 111.670 108.800 0.147 0.000 2.176 37 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.232 37 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.232 37 G C 0.551 175.571 174.900 0.200 0.000 0.986 37 G CA 0.428 45.691 45.100 0.272 0.000 0.643 37 G HN 0.672 nan 8.290 nan 0.000 0.522 38 T N -0.169 114.492 114.554 0.179 0.000 3.081 38 T HA 0.267 4.617 4.350 -0.001 0.000 0.255 38 T C 0.811 175.665 174.700 0.256 0.000 1.113 38 T CA 1.389 63.659 62.100 0.283 0.000 1.082 38 T CB 0.117 69.212 68.868 0.377 0.000 0.939 38 T HN 0.625 nan 8.240 nan 0.000 0.506 39 E N 0.362 120.636 120.200 0.124 0.000 2.221 39 E HA 0.522 4.872 4.350 -0.001 0.000 0.268 39 E C -0.417 176.213 176.600 0.049 0.000 0.933 39 E CA -0.502 55.956 56.400 0.097 0.000 0.809 39 E CB 1.682 31.391 29.700 0.015 0.000 1.190 39 E HN 0.021 nan 8.360 nan 0.000 0.406 49 T N -0.671 114.025 114.554 0.237 0.000 2.919 49 T HA 0.742 5.092 4.350 -0.001 0.000 0.282 49 T C -0.700 174.173 174.700 0.288 0.000 1.020 49 T CA -0.576 61.625 62.100 0.167 0.000 0.994 49 T CB 1.858 70.779 68.868 0.089 0.000 1.180 49 T HN 0.195 nan 8.240 nan 0.000 0.566 50 Y N -2.475 117.954 120.300 0.214 0.000 2.581 50 Y HA 0.729 5.279 4.550 -0.001 0.000 0.345 50 Y C -2.964 172.955 175.900 0.031 0.000 1.036 50 Y CA -3.356 54.825 58.100 0.135 0.000 1.042 50 Y CB 0.761 39.315 38.460 0.157 0.000 1.289 50 Y HN 0.403 nan 8.280 nan 0.000 0.471 51 P HA 0.247 nan 4.420 nan 0.000 0.238 51 P C -0.363 176.986 177.300 0.082 0.000 1.794 51 P CA 0.184 63.276 63.100 -0.014 0.000 1.088 51 P CB -0.101 31.495 31.700 -0.174 0.000 1.923 52 A N 3.371 126.274 122.820 0.139 0.000 2.524 52 A HA 0.203 4.522 4.320 -0.001 0.000 0.250 52 A C 0.416 178.030 177.584 0.050 0.000 1.078 52 A CA -0.017 52.092 52.037 0.120 0.000 0.761 52 A CB 0.013 18.908 19.000 -0.175 0.000 1.012 52 A HN 0.331 nan 8.150 nan 0.000 0.500 53 V N 2.523 122.489 119.914 0.087 0.000 2.406 53 V HA 0.644 4.764 4.120 -0.001 0.000 0.272 53 V C 0.619 176.810 176.094 0.163 0.000 1.043 53 V CA 0.752 63.107 62.300 0.091 0.000 0.915 53 V CB 0.179 32.056 31.823 0.091 0.000 0.988 53 V HN 1.387 nan 8.190 nan 0.000 0.466 54 A N 4.497 127.444 122.820 0.212 0.000 2.536 54 A HA 0.911 5.230 4.320 -0.001 0.000 0.293 54 A C -0.880 176.964 177.584 0.434 0.000 1.119 54 A CA -0.183 52.009 52.037 0.258 0.000 0.654 54 A CB 1.669 20.562 19.000 -0.179 0.000 1.291 54 A HN 1.383 nan 8.150 nan 0.000 0.439 55 V N -2.768 117.282 119.914 0.227 0.000 3.019 55 V HA 0.825 4.945 4.120 -0.001 0.000 0.317 55 V C -2.966 172.921 176.094 -0.345 0.000 1.094 55 V CA -2.812 59.419 62.300 -0.115 0.000 1.000 55 V CB 1.189 32.956 31.823 -0.093 0.000 1.060 55 V HN 0.624 nan 8.190 nan 0.000 0.443 56 P HA 0.037 nan 4.420 nan 0.000 0.264 56 P C -0.025 176.992 177.300 -0.471 0.000 1.183 56 P CA 0.528 62.941 63.100 -1.144 0.000 0.763 56 P CB -0.026 30.601 31.700 -1.789 0.000 0.807 57 W N -0.026 121.202 121.300 -0.119 0.000 5.078 57 W HA -0.167 4.492 4.660 -0.001 0.000 0.343 57 W C 0.652 177.205 176.519 0.056 0.000 1.232 57 W CA 0.780 58.131 57.345 0.010 0.000 0.864 57 W CB -2.485 26.966 29.460 -0.016 0.000 2.304 57 W HN 0.478 nan 8.180 nan 0.000 1.560 58 G N 0.849 109.835 108.800 0.310 0.000 2.432 58 G HA2 0.212 4.171 3.960 -0.001 0.000 0.239 58 G HA3 0.212 4.171 3.960 -0.001 0.000 0.239 58 G C 0.818 175.818 174.900 0.166 0.000 1.291 58 G CA 0.224 45.491 45.100 0.277 0.000 0.863 58 G HN 0.261 nan 8.290 nan 0.000 0.560 59 M N 1.759 121.426 119.600 0.111 0.000 2.159 59 M HA -0.047 4.432 4.480 -0.001 0.000 0.263 59 M C 0.467 176.898 176.300 0.219 0.000 1.063 59 M CA 1.300 56.680 55.300 0.133 0.000 1.110 59 M CB -0.079 32.587 32.600 0.110 0.000 1.374 59 M HN 0.614 nan 8.290 nan 0.000 0.411 60 N N -0.474 118.341 118.700 0.192 0.000 2.314 60 N HA 0.372 5.112 4.740 -0.001 0.000 0.294 60 N C -1.569 174.057 175.510 0.193 0.000 1.029 60 N CA -0.744 52.352 53.050 0.078 0.000 0.845 60 N CB 1.378 39.945 38.487 0.133 0.000 1.321 60 N HN -0.051 nan 8.380 nan 0.000 0.481 61 F N 0.730 120.591 119.950 -0.148 0.000 2.497 61 F HA 0.560 5.086 4.527 -0.001 0.000 0.331 61 F C -0.316 175.325 175.800 -0.264 0.000 1.060 61 F CA -1.362 56.621 58.000 -0.027 0.000 0.989 61 F CB 0.744 39.780 39.000 0.060 0.000 1.245 61 F HN 0.374 nan 8.300 nan 0.000 0.486 62 W N 0.142 121.535 121.300 0.155 0.000 2.819 62 W HA 0.605 5.265 4.660 -0.001 0.000 0.337 62 W C -0.498 176.020 176.519 -0.001 0.000 1.077 62 W CA -0.553 56.799 57.345 0.011 0.000 1.226 62 W CB 2.144 31.582 29.460 -0.038 0.000 1.419 62 W HN 0.370 nan 8.180 nan 0.000 0.502 63 S N 3.422 119.206 115.700 0.140 0.000 2.535 63 S HA 0.556 5.026 4.470 -0.001 0.000 0.272 63 S C -2.872 171.708 174.600 -0.033 0.000 1.149 63 S CA -1.440 56.761 58.200 0.002 0.000 0.888 63 S CB 1.355 64.508 63.200 -0.079 0.000 1.110 63 S HN 0.154 nan 8.310 nan 0.000 0.463 64 P HA 0.102 nan 4.420 nan 0.000 0.267 64 P C -1.339 175.922 177.300 -0.065 0.000 1.200 64 P CA -0.005 62.922 63.100 -0.288 0.000 0.772 64 P CB 0.315 31.761 31.700 -0.422 0.000 0.855 65 Q N 1.106 120.834 119.800 -0.119 0.000 2.310 65 Q HA 0.323 4.663 4.340 -0.001 0.000 0.270 65 Q C 0.345 176.354 176.000 0.015 0.000 1.025 65 Q CA -0.435 55.366 55.803 -0.003 0.000 0.772 65 Q CB 1.296 30.009 28.738 -0.041 0.000 1.253 65 Q HN 0.524 nan 8.270 nan 0.000 0.450 66 T N -0.213 114.384 114.554 0.073 0.000 3.000 66 T HA 0.291 4.641 4.350 -0.001 0.000 0.248 66 T C 0.881 175.622 174.700 0.069 0.000 1.034 66 T CA 0.423 62.557 62.100 0.057 0.000 1.060 66 T CB 0.289 69.157 68.868 0.001 0.000 0.983 66 T HN 0.520 nan 8.240 nan 0.000 0.482 67 G N 0.948 109.805 108.800 0.095 0.000 2.616 67 G HA2 0.449 4.408 3.960 -0.001 0.000 0.268 67 G HA3 0.449 4.408 3.960 -0.001 0.000 0.268 67 G C -0.456 174.499 174.900 0.091 0.000 1.213 67 G CA -0.670 44.498 45.100 0.114 0.000 0.926 67 G HN 0.472 nan 8.290 nan 0.000 0.523 68 E N 0.034 120.293 120.200 0.098 0.000 2.392 68 E HA 0.008 4.358 4.350 -0.001 0.000 0.259 68 E C -0.119 176.440 176.600 -0.069 0.000 1.108 68 E CA -0.422 56.050 56.400 0.120 0.000 0.916 68 E CB 0.454 30.242 29.700 0.147 0.000 0.989 68 E HN 0.315 nan 8.360 nan 0.000 0.432 69 N N 0.552 119.011 118.700 -0.402 0.000 2.292 69 N HA -0.014 4.726 4.740 -0.001 0.000 0.258 69 N C 0.865 176.051 175.510 -0.540 0.000 1.261 69 N CA 1.390 53.963 53.050 -0.796 0.000 0.845 69 N CB 0.566 38.003 38.487 -1.749 0.000 1.064 69 N HN 0.789 nan 8.380 nan 0.000 0.471 70 G N 0.236 108.854 108.800 -0.304 0.000 2.258 70 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.233 70 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.233 70 G C 0.280 175.157 174.900 -0.038 0.000 1.006 70 G CA 0.384 45.413 45.100 -0.117 0.000 0.620 70 G HN 0.817 nan 8.290 nan 0.000 0.511 71 S N 0.918 116.584 115.700 -0.057 0.000 2.523 71 S HA 0.538 5.008 4.470 -0.001 0.000 0.275 71 S C 1.757 176.306 174.600 -0.085 0.000 1.281 71 S CA 0.796 58.954 58.200 -0.070 0.000 1.050 71 S CB 1.129 64.344 63.200 0.025 0.000 0.937 71 S HN 1.398 nan 8.310 nan 0.000 0.492 72 G N 3.995 112.643 108.800 -0.253 0.000 2.498 72 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.219 72 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.219 72 G C 0.324 175.175 174.900 -0.082 0.000 1.119 72 G CA -0.016 44.946 45.100 -0.230 0.000 0.766 72 G HN 0.787 nan 8.290 nan 0.000 0.552 73 W N 1.195 122.554 121.300 0.100 0.000 1.864 73 W HA 0.451 5.110 4.660 -0.001 0.000 0.425 73 W C 1.177 177.766 176.519 0.117 0.000 0.791 73 W CA -1.327 56.092 57.345 0.123 0.000 1.650 73 W CB -0.488 29.032 29.460 0.100 0.000 1.791 73 W HN 0.094 nan 8.180 nan 0.000 0.266 74 M N 1.491 121.275 119.600 0.308 0.000 2.099 74 M HA -0.155 4.325 4.480 -0.001 0.000 0.262 74 M C -0.193 176.267 176.300 0.267 0.000 1.067 74 M CA 1.785 57.202 55.300 0.194 0.000 1.124 74 M CB 0.203 32.836 32.600 0.055 0.000 1.353 74 M HN 0.108 nan 8.290 nan 0.000 0.410 75 Y N -0.137 120.297 120.300 0.223 0.000 2.373 75 Y HA 0.339 4.889 4.550 -0.001 0.000 0.336 75 Y C -1.467 174.591 175.900 0.263 0.000 0.979 75 Y CA -0.700 57.535 58.100 0.226 0.000 1.080 75 Y CB 1.776 40.373 38.460 0.228 0.000 1.190 75 Y HN -0.204 nan 8.280 nan 0.000 0.446 76 T N 6.531 120.990 114.554 -0.158 0.000 2.879 76 T HA 0.092 4.442 4.350 -0.001 0.000 0.290 76 T C -0.072 174.554 174.700 -0.124 0.000 0.993 76 T CA -0.370 61.727 62.100 -0.005 0.000 0.975 76 T CB 0.908 69.777 68.868 0.001 0.000 0.981 76 T HN 0.752 nan 8.240 nan 0.000 0.439 77 Y N 3.309 123.624 120.300 0.026 0.000 2.256 77 Y HA -0.178 4.372 4.550 -0.001 0.000 0.288 77 Y C 2.646 178.642 175.900 0.161 0.000 1.155 77 Y CA 2.259 60.434 58.100 0.125 0.000 1.203 77 Y CB -0.078 38.444 38.460 0.102 0.000 0.980 77 Y HN 0.734 nan 8.280 nan 0.000 0.530 78 T N -2.593 112.014 114.554 0.089 0.000 3.113 78 T HA 0.016 4.366 4.350 -0.001 0.000 0.256 78 T C 0.260 174.899 174.700 -0.102 0.000 1.131 78 T CA 0.184 62.283 62.100 -0.000 0.000 1.074 78 T CB -0.345 68.537 68.868 0.024 0.000 0.944 78 T HN 0.022 nan 8.240 nan 0.000 0.516 79 D N 2.286 122.606 120.400 -0.134 0.000 2.345 79 D HA 0.324 4.964 4.640 -0.001 0.000 0.247 79 D C 0.914 177.041 176.300 -0.288 0.000 1.108 79 D CA -0.043 53.865 54.000 -0.152 0.000 0.894 79 D CB 1.566 42.303 40.800 -0.106 0.000 1.203 79 D HN 0.405 nan 8.370 nan 0.000 0.430 80 S N 0.621 116.155 115.700 -0.276 0.000 2.701 80 S HA 0.272 4.741 4.470 -0.001 0.000 0.242 80 S C 0.171 174.596 174.600 -0.291 0.000 1.025 80 S CA -0.483 57.417 58.200 -0.500 0.000 1.016 80 S CB 0.021 63.008 63.200 -0.356 0.000 0.977 80 S HN 0.285 nan 8.310 nan 0.000 0.546 81 L N 2.098 123.336 121.223 0.026 0.000 2.376 81 L HA 0.625 4.964 4.340 -0.001 0.000 0.275 81 L C -0.648 176.413 176.870 0.318 0.000 0.987 81 L CA -0.579 54.382 54.840 0.202 0.000 0.828 81 L CB 2.077 44.183 42.059 0.078 0.000 1.249 81 L HN 0.241 nan 8.230 nan 0.000 0.409 82 M N 2.623 122.450 119.600 0.378 0.000 2.363 82 M HA 0.423 4.903 4.480 -0.001 0.000 0.343 82 M C 0.380 176.705 176.300 0.042 0.000 1.165 82 M CA 0.027 55.420 55.300 0.155 0.000 1.046 82 M CB 1.382 33.993 32.600 0.017 0.000 1.648 82 M HN 0.559 nan 8.290 nan 0.000 0.452 83 R N 2.517 123.005 120.500 -0.019 0.000 2.279 83 R HA 0.441 4.780 4.340 -0.001 0.000 0.195 83 R C 0.348 176.625 176.300 -0.038 0.000 0.905 83 R CA 0.112 56.206 56.100 -0.011 0.000 1.044 83 R CB 1.085 31.407 30.300 0.036 0.000 1.056 83 R HN 0.898 nan 8.270 nan 0.000 0.535 84 G N 0.132 108.843 108.800 -0.148 0.000 2.328 84 G HA2 0.341 4.300 3.960 -0.001 0.000 0.295 84 G HA3 0.341 4.300 3.960 -0.001 0.000 0.295 84 G C -1.834 172.858 174.900 -0.348 0.000 1.413 84 G CA -0.914 44.114 45.100 -0.121 0.000 0.817 84 G HN -0.007 nan 8.290 nan 0.000 0.546 85 F N 1.495 121.572 119.950 0.212 0.000 2.375 85 F HA 0.566 5.093 4.527 -0.001 0.000 0.361 85 F C 0.919 176.861 175.800 0.238 0.000 1.117 85 F CA -0.832 57.334 58.000 0.278 0.000 1.037 85 F CB 1.717 41.035 39.000 0.530 0.000 1.192 85 F HN -0.048 nan 8.300 nan 0.000 0.452 86 R N 2.244 122.803 120.500 0.099 0.000 2.357 86 R HA 0.191 4.530 4.340 -0.001 0.000 0.296 86 R C -0.154 175.673 176.300 -0.789 0.000 1.052 86 R CA -0.597 55.322 56.100 -0.302 0.000 0.988 86 R CB 1.515 31.621 30.300 -0.324 0.000 1.025 86 R HN 0.682 nan 8.270 nan 0.000 0.469 87 Q N 1.911 120.756 119.800 -1.592 0.000 2.307 87 Q HA 0.103 4.442 4.340 -0.001 0.000 0.259 87 Q C -0.832 174.484 176.000 -1.140 0.000 0.998 87 Q CA 0.343 54.964 55.803 -1.969 0.000 0.923 87 Q CB 0.933 28.443 28.738 -2.046 0.000 1.196 87 Q HN 0.512 nan 8.270 nan 0.000 0.416 88 T N 2.406 116.393 114.554 -0.945 0.000 2.906 88 T HA 0.385 4.735 4.350 -0.001 0.000 0.295 88 T C -0.333 173.870 174.700 -0.827 0.000 1.075 88 T CA -0.503 61.161 62.100 -0.726 0.000 1.005 88 T CB 1.092 69.649 68.868 -0.519 0.000 1.136 88 T HN 0.754 nan 8.240 nan 0.000 0.498 89 H N 1.046 119.966 119.070 -0.251 0.000 3.398 89 H HA 0.238 4.794 4.556 -0.001 0.000 0.260 89 H C 0.520 175.912 175.328 0.106 0.000 1.189 89 H CA -0.243 55.684 56.048 -0.202 0.000 1.145 89 H CB 0.659 30.097 29.762 -0.540 0.000 1.599 89 H HN 0.586 nan 8.280 nan 0.000 0.615 90 Q N 4.100 124.041 119.800 0.234 0.000 2.274 90 Q HA 0.023 4.363 4.340 -0.001 0.000 0.280 90 Q C -1.683 174.627 176.000 0.517 0.000 1.047 90 Q CA -1.275 54.729 55.803 0.335 0.000 0.907 90 Q CB 1.256 30.133 28.738 0.231 0.000 1.171 90 Q HN 0.097 nan 8.270 nan 0.000 0.381 91 P HA 0.030 nan 4.420 nan 0.000 0.232 91 P C -0.470 176.837 177.300 0.012 0.000 1.170 91 P CA 0.451 63.518 63.100 -0.054 0.000 0.824 91 P CB 0.536 32.274 31.700 0.064 0.000 0.896 92 S N -2.680 113.117 115.700 0.162 0.000 2.570 92 S HA 0.488 4.957 4.470 -0.001 0.000 0.270 92 S C -2.672 172.029 174.600 0.169 0.000 1.149 92 S CA -1.277 57.029 58.200 0.176 0.000 0.837 92 S CB 1.629 64.942 63.200 0.188 0.000 1.124 92 S HN -0.324 nan 8.310 nan 0.000 0.465 93 P HA -0.011 nan 4.420 nan 0.000 0.216 93 P C 0.945 178.211 177.300 -0.056 0.000 1.150 93 P CA 0.963 64.084 63.100 0.035 0.000 0.837 93 P CB -0.059 31.674 31.700 0.054 0.000 0.786 94 W N -0.080 121.151 121.300 -0.115 0.000 2.379 94 W HA -0.118 4.541 4.660 -0.001 0.000 0.307 94 W C 1.914 178.313 176.519 -0.201 0.000 1.200 94 W CA 1.143 58.391 57.345 -0.162 0.000 1.297 94 W CB -0.478 28.907 29.460 -0.125 0.000 1.140 94 W HN -0.242 nan 8.180 nan 0.000 0.507 95 I N 0.689 121.288 120.570 0.049 0.000 2.315 95 I HA -0.228 3.942 4.170 -0.001 0.000 0.248 95 I C 1.371 177.392 176.117 -0.159 0.000 1.117 95 I CA 1.657 62.876 61.300 -0.135 0.000 1.404 95 I CB -1.557 36.312 38.000 -0.220 0.000 1.071 95 I HN 0.222 nan 8.210 nan 0.000 0.419 96 N N 0.613 119.271 118.700 -0.070 0.000 6.681 96 N HA -0.202 4.537 4.740 -0.001 0.000 0.407 96 N C -0.305 175.258 175.510 0.089 0.000 0.934 96 N CA 0.962 54.001 53.050 -0.019 0.000 1.206 96 N CB -0.521 37.915 38.487 -0.086 0.000 0.835 96 N HN 0.177 nan 8.380 nan 0.000 0.310 97 D N -0.883 119.611 120.400 0.157 0.000 2.449 97 D HA 0.736 5.375 4.640 -0.001 0.000 0.250 97 D C -0.800 175.665 176.300 0.275 0.000 1.050 97 D CA 0.062 54.168 54.000 0.176 0.000 1.024 97 D CB 0.901 41.745 40.800 0.074 0.000 1.218 97 D HN 0.431 nan 8.370 nan 0.000 0.566 98 Y N -3.096 117.331 120.300 0.212 0.000 2.624 98 Y HA 0.481 5.031 4.550 -0.001 0.000 0.334 98 Y C 0.356 176.540 175.900 0.474 0.000 1.155 98 Y CA -1.074 57.165 58.100 0.230 0.000 1.046 98 Y CB 0.934 39.381 38.460 -0.022 0.000 1.316 98 Y HN 0.503 nan 8.280 nan 0.000 0.457 99 G N 0.978 110.194 108.800 0.694 0.000 2.366 99 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.299 99 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.299 99 G C -0.227 174.826 174.900 0.256 0.000 1.020 99 G CA 0.755 46.202 45.100 0.578 0.000 1.026 99 G HN 1.069 nan 8.290 nan 0.000 0.512 100 T N -0.551 114.025 114.554 0.038 0.000 2.856 100 T HA 0.819 5.169 4.350 -0.001 0.000 0.283 100 T C -0.253 174.290 174.700 -0.262 0.000 1.008 100 T CA -0.138 61.779 62.100 -0.305 0.000 0.997 100 T CB 1.075 69.585 68.868 -0.595 0.000 0.992 100 T HN 1.335 nan 8.240 nan 0.000 0.454 101 F N 1.210 120.914 119.950 -0.410 0.000 2.715 101 F HA 0.869 5.396 4.527 -0.001 0.000 0.318 101 F C -0.669 174.995 175.800 -0.227 0.000 1.141 101 F CA -1.023 56.799 58.000 -0.297 0.000 0.950 101 F CB 1.205 39.871 39.000 -0.556 0.000 1.374 101 F HN 0.611 nan 8.300 nan 0.000 0.477 102 S N 0.632 116.353 115.700 0.035 0.000 2.618 102 S HA 0.849 5.319 4.470 -0.001 0.000 0.277 102 S C -1.466 173.292 174.600 0.264 0.000 1.138 102 S CA -0.785 57.434 58.200 0.031 0.000 0.844 102 S CB 1.915 65.162 63.200 0.078 0.000 1.127 102 S HN 0.796 nan 8.310 nan 0.000 0.474 103 I N 1.378 122.132 120.570 0.306 0.000 2.545 103 I HA 0.567 4.737 4.170 -0.001 0.000 0.292 103 I C -1.192 175.110 176.117 0.309 0.000 1.040 103 I CA -0.633 60.820 61.300 0.256 0.000 1.068 103 I CB 2.141 40.150 38.000 0.014 0.000 1.251 103 I HN 0.669 nan 8.210 nan 0.000 0.424 104 M N 9.329 129.087 119.600 0.263 0.000 2.124 104 M HA 0.510 4.990 4.480 -0.001 0.000 0.280 104 M C -2.828 173.626 176.300 0.255 0.000 0.954 104 M CA -2.131 53.338 55.300 0.281 0.000 0.958 104 M CB 1.813 34.513 32.600 0.165 0.000 1.611 104 M HN 0.025 nan 8.290 nan 0.000 0.449 105 P HA 0.405 nan 4.420 nan 0.000 0.271 105 P C -1.282 176.146 177.300 0.214 0.000 1.216 105 P CA -0.069 63.201 63.100 0.283 0.000 0.776 105 P CB 0.534 32.338 31.700 0.174 0.000 0.881 106 L N 1.637 123.057 121.223 0.327 0.000 2.422 106 L HA 0.735 5.075 4.340 -0.001 0.000 0.264 106 L C -0.229 176.838 176.870 0.328 0.000 0.984 106 L CA -1.085 53.885 54.840 0.217 0.000 0.819 106 L CB 2.315 44.466 42.059 0.154 0.000 1.330 106 L HN 0.277 nan 8.230 nan 0.000 0.410 107 A N 1.662 124.613 122.820 0.217 0.000 2.288 107 A HA 0.850 5.170 4.320 -0.001 0.000 0.320 107 A C 0.503 178.174 177.584 0.144 0.000 1.217 107 A CA 0.388 52.553 52.037 0.212 0.000 0.840 107 A CB 1.006 20.127 19.000 0.203 0.000 1.179 107 A HN 1.069 nan 8.150 nan 0.000 0.504 108 G N 0.695 109.580 108.800 0.142 0.000 2.848 108 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.246 108 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.246 108 G C 0.283 175.273 174.900 0.149 0.000 1.374 108 G CA 0.249 45.416 45.100 0.110 0.000 0.982 108 G HN 1.574 nan 8.290 nan 0.000 0.563 109 E N 0.398 120.635 120.200 0.062 0.000 2.376 109 E HA 0.460 4.810 4.350 -0.001 0.000 0.266 109 E C 0.299 176.837 176.600 -0.102 0.000 1.009 109 E CA 0.099 56.496 56.400 -0.005 0.000 0.902 109 E CB 1.006 30.687 29.700 -0.032 0.000 0.972 109 E HN 1.337 nan 8.360 nan 0.000 0.439 110 L N 4.995 126.049 121.223 -0.281 0.000 2.367 110 L HA 0.398 4.737 4.340 -0.001 0.000 0.275 110 L C -0.475 176.181 176.870 -0.357 0.000 1.129 110 L CA 0.316 54.806 54.840 -0.583 0.000 0.839 110 L CB 0.628 42.072 42.059 -1.024 0.000 1.133 110 L HN 0.435 nan 8.230 nan 0.000 0.453 111 K N 6.191 126.405 120.400 -0.309 0.000 2.471 111 K HA 0.347 4.667 4.320 -0.001 0.000 0.252 111 K C -0.069 176.374 176.600 -0.262 0.000 0.938 111 K CA -0.648 55.496 56.287 -0.238 0.000 0.796 111 K CB 1.944 34.351 32.500 -0.155 0.000 1.161 111 K HN 0.547 nan 8.250 nan 0.000 0.425 112 M N -0.251 119.137 119.600 -0.353 0.000 2.553 112 M HA 0.078 4.557 4.480 -0.001 0.000 0.255 112 M C 1.052 177.132 176.300 -0.367 0.000 1.181 112 M CA 0.622 55.645 55.300 -0.462 0.000 1.210 112 M CB -0.636 31.413 32.600 -0.917 0.000 1.280 112 M HN 0.535 nan 8.290 nan 0.000 0.495 113 S N 1.369 116.837 115.700 -0.387 0.000 2.562 113 S HA -0.007 4.462 4.470 -0.001 0.000 0.281 113 S C 1.510 176.125 174.600 0.025 0.000 1.333 113 S CA -0.304 57.878 58.200 -0.030 0.000 1.052 113 S CB 0.221 63.430 63.200 0.016 0.000 0.884 113 S HN 0.557 nan 8.310 nan 0.000 0.506 114 H N 4.516 123.654 119.070 0.113 0.000 2.457 114 H HA -0.044 4.512 4.556 -0.001 0.000 0.297 114 H C 1.120 176.435 175.328 -0.021 0.000 1.092 114 H CA 1.483 57.541 56.048 0.016 0.000 1.309 114 H CB -0.149 29.587 29.762 -0.044 0.000 1.382 114 H HN 0.567 nan 8.280 nan 0.000 0.535 115 K N 0.401 120.366 120.400 -0.725 0.000 2.209 115 K HA -0.102 4.217 4.320 -0.001 0.000 0.204 115 K C 2.312 178.791 176.600 -0.202 0.000 1.048 115 K CA 1.599 57.606 56.287 -0.468 0.000 0.940 115 K CB -0.109 32.157 32.500 -0.390 0.000 0.729 115 K HN 0.793 nan 8.250 nan 0.000 0.451 116 E N 1.272 121.378 120.200 -0.156 0.000 2.389 116 E HA 0.025 4.374 4.350 -0.001 0.000 0.199 116 E C 0.650 177.201 176.600 -0.082 0.000 0.978 116 E CA -0.058 56.278 56.400 -0.107 0.000 0.912 116 E CB -0.155 29.476 29.700 -0.115 0.000 0.907 116 E HN 0.277 nan 8.360 nan 0.000 0.494 117 R N 1.218 121.678 120.500 -0.066 0.000 2.612 117 R HA 0.329 4.668 4.340 -0.001 0.000 0.273 117 R C -0.851 175.434 176.300 -0.025 0.000 1.376 117 R CA -0.163 55.909 56.100 -0.047 0.000 1.171 117 R CB -0.058 30.227 30.300 -0.024 0.000 1.151 117 R HN 0.162 nan 8.270 nan 0.000 0.560 118 L N 3.772 124.980 121.223 -0.024 0.000 2.372 118 L HA 0.426 4.766 4.340 -0.001 0.000 0.273 118 L C -0.405 176.474 176.870 0.016 0.000 0.989 118 L CA -0.759 54.085 54.840 0.007 0.000 0.841 118 L CB 1.892 43.955 42.059 0.006 0.000 1.225 118 L HN 0.217 nan 8.230 nan 0.000 0.414 119 V N 5.043 124.986 119.914 0.048 0.000 2.378 119 V HA 0.396 4.516 4.120 -0.001 0.000 0.288 119 V C -2.161 174.097 176.094 0.273 0.000 1.016 119 V CA -1.868 60.464 62.300 0.054 0.000 0.840 119 V CB 2.028 33.727 31.823 -0.208 0.000 0.994 119 V HN 0.547 nan 8.190 nan 0.000 0.431 120 P HA 0.296 nan 4.420 nan 0.000 0.268 120 P C -0.867 176.682 177.300 0.414 0.000 1.204 120 P CA 0.250 63.482 63.100 0.220 0.000 0.768 120 P CB 0.193 31.953 31.700 0.100 0.000 0.842 121 F N -0.487 119.520 119.950 0.094 0.000 2.685 121 F HA 0.770 5.297 4.527 -0.001 0.000 0.315 121 F C -0.988 174.746 175.800 -0.111 0.000 1.126 121 F CA -1.207 56.806 58.000 0.022 0.000 0.950 121 F CB 1.259 40.241 39.000 -0.031 0.000 1.360 121 F HN 0.217 nan 8.300 nan 0.000 0.469 122 S N -0.197 115.418 115.700 -0.141 0.000 2.513 122 S HA 0.367 4.836 4.470 -0.001 0.000 0.299 122 S C 0.244 174.773 174.600 -0.118 0.000 1.087 122 S CA -0.581 57.446 58.200 -0.289 0.000 1.012 122 S CB 0.731 63.861 63.200 -0.116 0.000 1.044 122 S HN 0.794 nan 8.310 nan 0.000 0.485 123 H N 2.816 121.838 119.070 -0.081 0.000 2.489 123 H HA -0.033 4.522 4.556 -0.001 0.000 0.293 123 H C 1.584 176.943 175.328 0.052 0.000 1.066 123 H CA 1.520 57.592 56.048 0.040 0.000 1.305 123 H CB 0.132 29.878 29.762 -0.028 0.000 1.386 123 H HN 0.700 nan 8.280 nan 0.000 0.551 124 Q N -0.003 119.866 119.800 0.115 0.000 2.291 124 Q HA -0.081 4.259 4.340 -0.001 0.000 0.205 124 Q C 0.858 176.886 176.000 0.046 0.000 0.970 124 Q CA 0.674 56.521 55.803 0.074 0.000 0.876 124 Q CB 0.330 29.093 28.738 0.041 0.000 0.935 124 Q HN 0.309 nan 8.270 nan 0.000 0.455 125 Q N 0.284 120.110 119.800 0.043 0.000 2.182 125 Q HA 0.175 4.515 4.340 -0.001 0.000 0.270 125 Q C -0.930 175.055 176.000 -0.025 0.000 0.861 125 Q CA 0.091 55.897 55.803 0.004 0.000 1.098 125 Q CB 0.955 29.693 28.738 -0.000 0.000 1.188 125 Q HN 0.299 nan 8.270 nan 0.000 0.464 126 E N 0.204 120.411 120.200 0.012 0.000 2.222 126 E HA 0.331 4.681 4.350 -0.001 0.000 0.267 126 E C -1.310 175.217 176.600 -0.122 0.000 0.884 126 E CA -0.308 56.054 56.400 -0.063 0.000 0.764 126 E CB 1.508 31.311 29.700 0.172 0.000 1.169 126 E HN -0.239 nan 8.360 nan 0.000 0.413 127 K N 2.663 122.878 120.400 -0.307 0.000 2.616 127 K HA 0.604 4.923 4.320 -0.001 0.000 0.241 127 K C -1.485 174.898 176.600 -0.362 0.000 0.961 127 K CA -0.100 56.034 56.287 -0.255 0.000 0.942 127 K CB 1.093 33.468 32.500 -0.208 0.000 1.153 127 K HN 0.576 nan 8.250 nan 0.000 0.452 128 A N 2.936 125.622 122.820 -0.225 0.000 2.260 128 A HA 0.701 5.020 4.320 -0.001 0.000 0.314 128 A C 0.343 177.785 177.584 -0.237 0.000 1.257 128 A CA -0.126 51.826 52.037 -0.141 0.000 0.871 128 A CB 0.598 19.637 19.000 0.066 0.000 1.166 128 A HN 0.983 nan 8.150 nan 0.000 0.522 129 T N -0.311 114.026 114.554 -0.361 0.000 2.865 129 T HA 0.684 5.033 4.350 -0.001 0.000 0.294 129 T C -2.604 171.742 174.700 -0.590 0.000 1.119 129 T CA -1.625 60.133 62.100 -0.570 0.000 1.007 129 T CB 1.697 69.996 68.868 -0.948 0.000 1.225 129 T HN 0.123 nan 8.240 nan 0.000 0.515 130 P HA 0.059 nan 4.420 nan 0.000 0.222 130 P C 0.765 177.926 177.300 -0.231 0.000 1.153 130 P CA 0.711 63.439 63.100 -0.620 0.000 0.798 130 P CB -0.289 30.639 31.700 -1.287 0.000 0.796 131 Y N -2.308 117.921 120.300 -0.117 0.000 2.458 131 Y HA 0.474 5.024 4.550 -0.001 0.000 0.256 131 Y C -0.065 175.827 175.900 -0.014 0.000 1.159 131 Y CA -0.953 57.175 58.100 0.048 0.000 1.261 131 Y CB -0.473 38.041 38.460 0.092 0.000 1.119 131 Y HN -0.204 nan 8.280 nan 0.000 0.524 132 N N -0.061 118.379 118.700 -0.433 0.000 2.864 132 N HA 0.159 4.899 4.740 -0.001 0.000 0.247 132 N C -2.456 172.898 175.510 -0.259 0.000 1.071 132 N CA -0.605 52.275 53.050 -0.283 0.000 1.056 132 N CB 0.935 39.297 38.487 -0.208 0.000 1.661 132 N HN 0.222 nan 8.380 nan 0.000 0.570 133 Y N 2.722 122.865 120.300 -0.261 0.000 2.328 133 Y HA 0.677 5.226 4.550 -0.001 0.000 0.337 133 Y C -0.905 174.883 175.900 -0.187 0.000 0.966 133 Y CA -0.373 57.609 58.100 -0.196 0.000 1.136 133 Y CB 1.409 39.804 38.460 -0.109 0.000 1.170 133 Y HN 0.452 nan 8.280 nan 0.000 0.470 134 S N 5.652 120.997 115.700 -0.590 0.000 2.526 134 S HA 0.827 5.297 4.470 -0.001 0.000 0.293 134 S C -2.068 172.208 174.600 -0.540 0.000 1.092 134 S CA -0.554 57.399 58.200 -0.412 0.000 0.980 134 S CB 1.411 64.448 63.200 -0.271 0.000 1.048 134 S HN 0.780 nan 8.310 nan 0.000 0.483 135 V N 3.670 123.386 119.914 -0.329 0.000 2.932 135 V HA 0.706 4.825 4.120 -0.001 0.000 0.307 135 V C -1.097 174.810 176.094 -0.312 0.000 1.147 135 V CA -0.243 61.855 62.300 -0.338 0.000 0.951 135 V CB 2.450 34.062 31.823 -0.352 0.000 1.031 135 V HN 0.978 nan 8.190 nan 0.000 0.426 136 T N 7.028 121.428 114.554 -0.255 0.000 2.770 136 T HA 0.600 4.950 4.350 -0.001 0.000 0.283 136 T C -0.537 174.074 174.700 -0.147 0.000 0.988 136 T CA 0.023 62.032 62.100 -0.152 0.000 0.957 136 T CB 0.614 69.458 68.868 -0.041 0.000 0.930 136 T HN 0.405 nan 8.240 nan 0.000 0.443 137 F N 1.991 122.015 119.950 0.124 0.000 2.403 137 F HA 0.246 4.772 4.527 -0.001 0.000 0.320 137 F C 1.941 177.812 175.800 0.118 0.000 1.176 137 F CA -0.708 57.387 58.000 0.158 0.000 1.206 137 F CB 0.419 39.509 39.000 0.150 0.000 1.235 137 F HN 0.417 nan 8.300 nan 0.000 0.565 138 N N 1.023 119.910 118.700 0.311 0.000 2.289 138 N HA -0.185 4.555 4.740 -0.001 0.000 0.184 138 N C 1.108 176.710 175.510 0.153 0.000 1.016 138 N CA 1.136 54.290 53.050 0.174 0.000 0.872 138 N CB -0.621 37.943 38.487 0.127 0.000 0.973 138 N HN 0.555 nan 8.380 nan 0.000 0.433 139 N N -0.518 118.293 118.700 0.186 0.000 2.461 139 N HA 0.090 4.829 4.740 -0.001 0.000 0.188 139 N C 1.068 176.665 175.510 0.144 0.000 1.134 139 N CA 0.771 53.905 53.050 0.140 0.000 0.878 139 N CB -0.102 38.459 38.487 0.123 0.000 0.972 139 N HN 0.186 nan 8.380 nan 0.000 0.456 140 G N -0.323 108.577 108.800 0.166 0.000 2.195 140 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.246 140 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.246 140 G C -0.226 174.767 174.900 0.155 0.000 0.984 140 G CA 0.133 45.314 45.100 0.134 0.000 0.633 140 G HN 0.489 nan 8.290 nan 0.000 0.525 141 L N 1.450 122.810 121.223 0.228 0.000 2.410 141 L HA 0.526 4.865 4.340 -0.001 0.000 0.273 141 L C 0.453 177.483 176.870 0.266 0.000 1.144 141 L CA -0.208 54.768 54.840 0.228 0.000 0.863 141 L CB 0.897 43.106 42.059 0.249 0.000 1.140 141 L HN 0.293 nan 8.230 nan 0.000 0.463 142 Q N 3.942 123.801 119.800 0.099 0.000 2.312 142 Q HA 0.385 4.725 4.340 -0.001 0.000 0.263 142 Q C -1.182 174.822 176.000 0.007 0.000 0.995 142 Q CA -0.412 55.416 55.803 0.041 0.000 0.853 142 Q CB 2.039 30.767 28.738 -0.017 0.000 1.300 142 Q HN 0.713 nan 8.270 nan 0.000 0.448 143 T N 0.762 115.322 114.554 0.011 0.000 2.912 143 T HA 0.626 4.975 4.350 -0.001 0.000 0.299 143 T C -1.383 173.237 174.700 -0.133 0.000 1.052 143 T CA -0.389 61.684 62.100 -0.046 0.000 0.996 143 T CB 1.443 70.323 68.868 0.020 0.000 1.070 143 T HN 0.579 nan 8.240 nan 0.000 0.465 144 S N 4.626 120.225 115.700 -0.168 0.000 2.541 144 S HA 0.806 5.276 4.470 -0.001 0.000 0.280 144 S C -0.945 173.460 174.600 -0.325 0.000 1.112 144 S CA -0.859 57.213 58.200 -0.214 0.000 0.925 144 S CB 1.096 64.198 63.200 -0.163 0.000 1.067 144 S HN 1.189 nan 8.310 nan 0.000 0.479 145 L N 0.397 121.368 121.223 -0.419 0.000 2.409 145 L HA 0.989 5.328 4.340 -0.001 0.000 0.262 145 L C -0.859 175.759 176.870 -0.419 0.000 0.992 145 L CA -0.622 53.821 54.840 -0.662 0.000 0.817 145 L CB 2.121 43.368 42.059 -1.353 0.000 1.350 145 L HN 0.599 nan 8.230 nan 0.000 0.411 146 S N 0.992 116.454 115.700 -0.397 0.000 2.548 146 S HA 0.925 5.395 4.470 -0.001 0.000 0.286 146 S C -0.580 173.883 174.600 -0.228 0.000 1.098 146 S CA -0.455 57.621 58.200 -0.207 0.000 0.930 146 S CB 1.952 65.101 63.200 -0.085 0.000 1.070 146 S HN 1.038 nan 8.310 nan 0.000 0.480 147 A N 1.678 124.455 122.820 -0.072 0.000 2.337 147 A HA 0.874 5.194 4.320 -0.001 0.000 0.331 147 A C 0.326 177.956 177.584 0.078 0.000 1.137 147 A CA -0.667 51.364 52.037 -0.010 0.000 0.807 147 A CB 0.844 19.946 19.000 0.170 0.000 1.250 147 A HN 0.802 nan 8.150 nan 0.000 0.468 148 T N -1.456 113.149 114.554 0.086 0.000 2.892 148 T HA 0.429 4.779 4.350 -0.001 0.000 0.280 148 T C 1.295 176.096 174.700 0.170 0.000 1.004 148 T CA 0.337 62.501 62.100 0.107 0.000 0.950 148 T CB 0.557 69.467 68.868 0.070 0.000 1.309 148 T HN 0.415 nan 8.240 nan 0.000 0.592 149 S N 0.197 115.991 115.700 0.157 0.000 2.374 149 S HA -0.089 4.380 4.470 -0.001 0.000 0.227 149 S C 1.811 176.538 174.600 0.212 0.000 1.037 149 S CA 1.317 59.624 58.200 0.178 0.000 1.024 149 S CB -0.360 62.931 63.200 0.152 0.000 0.861 149 S HN 0.660 nan 8.310 nan 0.000 0.456 150 R N -0.376 120.248 120.500 0.205 0.000 2.509 150 R HA 0.319 4.659 4.340 -0.001 0.000 0.297 150 R C 0.647 177.117 176.300 0.282 0.000 0.951 150 R CA 0.101 56.337 56.100 0.227 0.000 1.103 150 R CB 1.218 31.627 30.300 0.181 0.000 1.283 150 R HN 0.317 nan 8.270 nan 0.000 0.534 151 G N -0.011 108.941 108.800 0.253 0.000 2.949 151 G HA2 0.795 4.755 3.960 -0.001 0.000 0.285 151 G HA3 0.795 4.755 3.960 -0.001 0.000 0.285 151 G C -1.660 173.298 174.900 0.096 0.000 1.395 151 G CA -0.361 44.878 45.100 0.232 0.000 0.901 151 G HN 0.126 nan 8.290 nan 0.000 0.519 152 A N -1.437 121.322 122.820 -0.102 0.000 2.606 152 A HA 0.774 5.094 4.320 -0.001 0.000 0.293 152 A C -1.693 175.705 177.584 -0.310 0.000 1.082 152 A CA -0.479 51.295 52.037 -0.438 0.000 0.685 152 A CB 1.794 20.007 19.000 -1.313 0.000 1.284 152 A HN 1.415 nan 8.150 nan 0.000 0.408 153 V N 1.106 120.812 119.914 -0.347 0.000 2.577 153 V HA 0.559 4.678 4.120 -0.001 0.000 0.303 153 V C -1.077 174.852 176.094 -0.275 0.000 1.042 153 V CA -0.263 61.925 62.300 -0.186 0.000 0.872 153 V CB 1.313 33.053 31.823 -0.138 0.000 0.998 153 V HN 0.740 nan 8.190 nan 0.000 0.423 154 F N 2.336 122.133 119.950 -0.256 0.000 2.470 154 F HA 0.640 5.166 4.527 -0.001 0.000 0.329 154 F C 0.376 176.071 175.800 -0.175 0.000 1.072 154 F CA -0.462 57.391 58.000 -0.245 0.000 0.989 154 F CB 1.704 40.557 39.000 -0.244 0.000 1.193 154 F HN 0.499 nan 8.300 nan 0.000 0.481 155 E N 1.660 121.865 120.200 0.008 0.000 2.246 155 E HA 0.578 4.928 4.350 -0.001 0.000 0.266 155 E C -2.143 174.411 176.600 -0.076 0.000 0.880 155 E CA -0.611 55.771 56.400 -0.031 0.000 0.762 155 E CB 2.164 31.834 29.700 -0.050 0.000 1.180 155 E HN 0.435 nan 8.360 nan 0.000 0.416 156 V N 3.171 123.001 119.914 -0.140 0.000 2.487 156 V HA 0.337 4.456 4.120 -0.001 0.000 0.298 156 V C -0.432 175.440 176.094 -0.369 0.000 1.028 156 V CA -0.752 61.371 62.300 -0.294 0.000 0.860 156 V CB 1.857 33.394 31.823 -0.477 0.000 0.991 156 V HN 0.673 nan 8.190 nan 0.000 0.427 157 S N 5.160 120.683 115.700 -0.295 0.000 2.420 157 S HA 0.627 5.097 4.470 -0.001 0.000 0.313 157 S C -0.520 173.952 174.600 -0.213 0.000 1.079 157 S CA -0.305 57.780 58.200 -0.192 0.000 1.104 157 S CB 0.153 63.310 63.200 -0.071 0.000 0.969 157 S HN 0.437 nan 8.310 nan 0.000 0.471 158 F N 4.460 124.419 119.950 0.015 0.000 2.399 158 F HA 0.365 4.892 4.527 -0.001 0.000 0.342 158 F C -1.625 174.195 175.800 0.034 0.000 1.106 158 F CA -2.144 55.874 58.000 0.031 0.000 1.196 158 F CB 0.093 39.098 39.000 0.009 0.000 1.163 158 F HN 0.315 nan 8.300 nan 0.000 0.547 159 P HA 0.183 nan 4.420 nan 0.000 0.268 159 P C -0.421 176.955 177.300 0.127 0.000 1.205 159 P CA -0.140 63.051 63.100 0.151 0.000 0.771 159 P CB 0.160 31.942 31.700 0.137 0.000 0.858 160 E N 0.962 121.214 120.200 0.087 0.000 2.398 160 E HA 0.388 4.737 4.350 -0.001 0.000 0.263 160 E C 1.057 177.683 176.600 0.042 0.000 1.046 160 E CA 0.124 56.560 56.400 0.061 0.000 0.908 160 E CB -0.744 28.985 29.700 0.048 0.000 0.963 160 E HN 0.661 nan 8.360 nan 0.000 0.431 161 K N 0.802 121.215 120.400 0.023 0.000 3.230 161 K HA -0.127 4.193 4.320 -0.001 0.000 0.285 161 K C 0.021 176.625 176.600 0.006 0.000 1.196 161 K CA 1.768 58.060 56.287 0.009 0.000 0.838 161 K CB -2.467 30.042 32.500 0.014 0.000 1.262 161 K HN 0.768 nan 8.250 nan 0.000 0.492 162 E N 0.680 120.883 120.200 0.005 0.000 2.288 162 E HA 0.432 4.781 4.350 -0.001 0.000 0.268 162 E C -1.054 175.507 176.600 -0.065 0.000 0.885 162 E CA -1.086 55.314 56.400 -0.000 0.000 0.767 162 E CB 1.352 31.079 29.700 0.046 0.000 1.220 162 E HN 0.372 nan 8.360 nan 0.000 0.427 163 D N 1.866 122.213 120.400 -0.089 0.000 2.472 163 D HA 0.023 4.663 4.640 -0.001 0.000 0.237 163 D C -0.237 175.862 176.300 -0.335 0.000 1.141 163 D CA 0.599 54.455 54.000 -0.240 0.000 0.875 163 D CB 0.505 41.165 40.800 -0.233 0.000 1.192 163 D HN 0.155 nan 8.370 nan 0.000 0.450 164 Q N 1.537 120.989 119.800 -0.580 0.000 2.325 164 Q HA 0.479 4.819 4.340 -0.001 0.000 0.262 164 Q C -1.008 174.630 176.000 -0.603 0.000 0.968 164 Q CA -0.636 54.671 55.803 -0.827 0.000 0.877 164 Q CB 1.352 29.195 28.738 -1.490 0.000 1.253 164 Q HN 0.395 nan 8.270 nan 0.000 0.448 165 Y N 0.281 120.564 120.300 -0.027 0.000 2.536 165 Y HA 0.604 5.154 4.550 -0.001 0.000 0.347 165 Y C -0.383 175.737 175.900 0.367 0.000 1.000 165 Y CA -1.082 57.111 58.100 0.154 0.000 1.051 165 Y CB 1.945 40.450 38.460 0.075 0.000 1.259 165 Y HN 0.309 nan 8.280 nan 0.000 0.468 166 V N 2.979 123.235 119.914 0.571 0.000 2.531 166 V HA 0.493 4.612 4.120 -0.001 0.000 0.301 166 V C -0.966 175.346 176.094 0.364 0.000 1.034 166 V CA -0.908 61.678 62.300 0.477 0.000 0.865 166 V CB 1.867 34.023 31.823 0.554 0.000 0.995 166 V HN 0.511 nan 8.190 nan 0.000 0.424 167 V N 5.557 125.641 119.914 0.284 0.000 2.435 167 V HA 0.479 4.599 4.120 -0.001 0.000 0.290 167 V C -0.184 176.051 176.094 0.234 0.000 1.030 167 V CA -0.548 61.884 62.300 0.220 0.000 0.881 167 V CB 2.000 33.896 31.823 0.121 0.000 0.983 167 V HN 0.609 nan 8.190 nan 0.000 0.445 168 V N 4.072 124.126 119.914 0.235 0.000 2.398 168 V HA 0.436 4.556 4.120 -0.001 0.000 0.286 168 V C -0.355 175.865 176.094 0.209 0.000 1.026 168 V CA -0.443 62.007 62.300 0.250 0.000 0.868 168 V CB 1.735 33.724 31.823 0.276 0.000 0.982 168 V HN 0.889 nan 8.190 nan 0.000 0.443 169 D N 4.049 124.590 120.400 0.234 0.000 2.425 169 D HA 0.539 5.179 4.640 -0.001 0.000 0.240 169 D C 0.273 176.752 176.300 0.298 0.000 1.080 169 D CA -0.432 53.712 54.000 0.240 0.000 0.836 169 D CB 2.215 43.170 40.800 0.258 0.000 1.125 169 D HN 0.563 nan 8.370 nan 0.000 0.525 170 A N 4.121 127.115 122.820 0.289 0.000 2.423 170 A HA 0.292 4.612 4.320 -0.001 0.000 0.246 170 A C 0.153 178.007 177.584 0.450 0.000 1.278 170 A CA -0.223 52.012 52.037 0.330 0.000 0.903 170 A CB -0.609 18.604 19.000 0.354 0.000 0.997 170 A HN 0.711 nan 8.150 nan 0.000 0.510 171 Y N -0.624 119.849 120.300 0.289 0.000 2.501 171 Y HA -0.299 4.250 4.550 -0.001 0.000 0.023 171 Y C 0.513 176.617 175.900 0.340 0.000 1.697 171 Y CA 0.564 58.794 58.100 0.218 0.000 1.423 171 Y CB -0.256 38.213 38.460 0.014 0.000 2.068 171 Y HN 0.675 nan 8.280 nan 0.000 0.253 172 N N 0.920 119.736 118.700 0.194 0.000 2.566 172 N HA 0.531 5.271 4.740 -0.001 0.000 0.299 172 N C 0.887 176.610 175.510 0.355 0.000 1.277 172 N CA 0.024 53.209 53.050 0.226 0.000 0.965 172 N CB 1.299 39.766 38.487 -0.034 0.000 1.142 172 N HN 1.653 nan 8.380 nan 0.000 0.596 173 G N -2.848 106.113 108.800 0.268 0.000 2.143 173 G HA2 0.112 4.072 3.960 -0.001 0.000 0.249 173 G HA3 0.112 4.072 3.960 -0.001 0.000 0.249 173 G C 0.577 175.599 174.900 0.203 0.000 0.981 173 G CA 0.495 45.742 45.100 0.244 0.000 0.665 173 G HN 1.726 nan 8.290 nan 0.000 0.528 174 G N -1.490 107.424 108.800 0.190 0.000 2.943 174 G HA2 0.458 4.418 3.960 -0.001 0.000 0.250 174 G HA3 0.458 4.418 3.960 -0.001 0.000 0.250 174 G C 0.052 175.039 174.900 0.144 0.000 0.996 174 G CA 0.700 45.886 45.100 0.144 0.000 1.248 174 G HN 2.213 nan 8.290 nan 0.000 0.589 175 S N -0.588 115.201 115.700 0.149 0.000 2.715 175 S HA 0.957 5.426 4.470 -0.001 0.000 0.307 175 S C 0.042 174.693 174.600 0.085 0.000 1.119 175 S CA 0.027 58.312 58.200 0.142 0.000 0.937 175 S CB 2.600 65.935 63.200 0.224 0.000 1.150 175 S HN 2.182 nan 8.310 nan 0.000 0.521 176 S N -0.358 115.378 115.700 0.061 0.000 2.556 176 S HA 0.789 5.259 4.470 -0.001 0.000 0.271 176 S C -1.270 173.323 174.600 -0.011 0.000 1.135 176 S CA -0.916 57.292 58.200 0.013 0.000 0.858 176 S CB 0.712 63.901 63.200 -0.019 0.000 1.114 176 S HN 0.793 nan 8.310 nan 0.000 0.468 177 I N 1.627 122.188 120.570 -0.016 0.000 2.722 177 I HA 0.567 4.737 4.170 -0.001 0.000 0.295 177 I C -0.837 175.246 176.117 -0.055 0.000 1.161 177 I CA -0.658 60.627 61.300 -0.025 0.000 1.032 177 I CB 2.870 40.912 38.000 0.070 0.000 1.244 177 I HN 0.945 nan 8.210 nan 0.000 0.421 178 T N 3.482 117.983 114.554 -0.088 0.000 2.879 178 T HA 0.722 5.072 4.350 -0.001 0.000 0.290 178 T C -0.722 173.923 174.700 -0.093 0.000 0.993 178 T CA -0.594 61.450 62.100 -0.093 0.000 0.975 178 T CB 1.349 70.151 68.868 -0.109 0.000 0.981 178 T HN 0.332 nan 8.240 nan 0.000 0.439 179 I N 2.421 122.918 120.570 -0.122 0.000 2.392 179 I HA 0.399 4.569 4.170 -0.001 0.000 0.295 179 I C 0.187 176.171 176.117 -0.221 0.000 0.985 179 I CA -0.780 60.421 61.300 -0.165 0.000 1.221 179 I CB 1.693 39.537 38.000 -0.259 0.000 1.366 179 I HN 0.714 nan 8.210 nan 0.000 0.467 180 E N 7.152 127.243 120.200 -0.182 0.000 2.593 180 E HA 0.207 4.557 4.350 -0.001 0.000 0.232 180 E C -2.009 174.481 176.600 -0.182 0.000 1.026 180 E CA -1.531 54.761 56.400 -0.180 0.000 0.772 180 E CB 1.302 30.935 29.700 -0.113 0.000 1.310 180 E HN 0.377 nan 8.360 nan 0.000 0.413 181 P HA -0.192 nan 4.420 nan 0.000 0.217 181 P C 1.361 178.588 177.300 -0.122 0.000 1.150 181 P CA 1.297 64.218 63.100 -0.298 0.000 0.832 181 P CB 0.335 31.688 31.700 -0.578 0.000 0.787 182 E N 1.282 121.421 120.200 -0.101 0.000 2.150 182 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 182 E C 1.833 178.426 176.600 -0.012 0.000 0.985 182 E CA 1.231 57.610 56.400 -0.036 0.000 0.814 182 E CB -1.190 28.490 29.700 -0.032 0.000 0.752 182 E HN 0.395 nan 8.360 nan 0.000 0.466 183 K N -1.058 119.328 120.400 -0.023 0.000 2.426 183 K HA 0.147 4.467 4.320 -0.001 0.000 0.193 183 K C 0.207 176.836 176.600 0.049 0.000 1.028 183 K CA 0.285 56.573 56.287 0.002 0.000 1.047 183 K CB 0.428 32.914 32.500 -0.024 0.000 0.821 183 K HN 0.217 nan 8.250 nan 0.000 0.513 184 R N 0.634 121.176 120.500 0.070 0.000 3.531 184 R HA -0.148 4.192 4.340 -0.001 0.000 0.280 184 R C -0.837 175.619 176.300 0.260 0.000 1.130 184 R CA 0.363 56.581 56.100 0.196 0.000 0.757 184 R CB -2.229 28.224 30.300 0.255 0.000 1.218 184 R HN 0.164 nan 8.270 nan 0.000 0.454 185 L N -0.027 121.278 121.223 0.137 0.000 2.354 185 L HA 0.757 5.096 4.340 -0.001 0.000 0.269 185 L C 0.024 176.961 176.870 0.112 0.000 1.005 185 L CA -1.277 53.623 54.840 0.099 0.000 0.819 185 L CB 2.413 44.452 42.059 -0.033 0.000 1.311 185 L HN -0.203 nan 8.230 nan 0.000 0.423 186 V N 1.980 121.978 119.914 0.139 0.000 2.709 186 V HA 0.532 4.651 4.120 -0.001 0.000 0.308 186 V C -0.520 175.583 176.094 0.016 0.000 1.062 186 V CA -0.779 61.590 62.300 0.115 0.000 0.901 186 V CB 2.285 34.275 31.823 0.279 0.000 1.003 186 V HN 0.696 nan 8.190 nan 0.000 0.425 187 K N 1.748 122.088 120.400 -0.100 0.000 2.480 187 K HA 0.914 5.233 4.320 -0.001 0.000 0.258 187 K C -0.311 175.965 176.600 -0.541 0.000 0.990 187 K CA -0.734 55.372 56.287 -0.301 0.000 0.857 187 K CB 2.802 35.153 32.500 -0.249 0.000 1.384 187 K HN 0.969 nan 8.250 nan 0.000 0.446 188 G N -0.384 107.741 108.800 -1.123 0.000 2.506 188 G HA2 0.623 4.582 3.960 -0.001 0.000 0.292 188 G HA3 0.623 4.582 3.960 -0.001 0.000 0.292 188 G C -2.024 172.187 174.900 -1.148 0.000 1.425 188 G CA -0.639 43.700 45.100 -1.267 0.000 0.788 188 G HN 0.584 nan 8.290 nan 0.000 0.490 189 A N -0.303 122.227 122.820 -0.484 0.000 2.381 189 A HA 0.845 5.164 4.320 -0.001 0.000 0.299 189 A C -0.368 177.239 177.584 0.038 0.000 1.049 189 A CA -0.070 51.816 52.037 -0.252 0.000 0.715 189 A CB 1.932 20.809 19.000 -0.205 0.000 1.222 189 A HN 1.515 nan 8.150 nan 0.000 0.428 190 T N 1.074 115.698 114.554 0.116 0.000 2.797 190 T HA 0.554 4.903 4.350 -0.001 0.000 0.279 190 T C 0.495 175.253 174.700 0.095 0.000 0.991 190 T CA -0.482 61.744 62.100 0.209 0.000 0.979 190 T CB 0.611 69.667 68.868 0.313 0.000 0.943 190 T HN 0.648 nan 8.240 nan 0.000 0.444 191 R N 2.551 123.177 120.500 0.211 0.000 2.509 191 R HA 0.129 4.468 4.340 -0.001 0.000 0.297 191 R C -0.312 176.277 176.300 0.482 0.000 0.951 191 R CA -0.475 55.790 56.100 0.276 0.000 1.103 191 R CB 0.290 30.695 30.300 0.174 0.000 1.283 191 R HN 0.694 nan 8.270 nan 0.000 0.534 192 Y N 3.434 123.929 120.300 0.324 0.000 2.895 192 Y HA -0.181 4.368 4.550 -0.001 0.000 0.334 192 Y C 0.056 176.127 175.900 0.285 0.000 1.261 192 Y CA 0.307 58.578 58.100 0.285 0.000 1.560 192 Y CB 0.175 38.812 38.460 0.295 0.000 1.253 192 Y HN 0.275 nan 8.280 nan 0.000 0.582 193 N N 1.873 120.238 118.700 -0.558 0.000 2.927 193 N HA 0.299 5.038 4.740 -0.001 0.000 0.248 193 N C -1.729 173.392 175.510 -0.648 0.000 1.443 193 N CA -1.034 51.726 53.050 -0.484 0.000 0.870 193 N CB 0.839 39.092 38.487 -0.390 0.000 1.444 193 N HN 0.502 nan 8.380 nan 0.000 0.519 194 N N -0.478 117.970 118.700 -0.420 0.000 2.467 194 N HA 0.334 5.074 4.740 -0.001 0.000 0.278 194 N C -0.202 175.136 175.510 -0.287 0.000 1.306 194 N CA 0.444 53.286 53.050 -0.346 0.000 0.905 194 N CB 0.660 38.975 38.487 -0.286 0.000 1.236 194 N HN 0.909 nan 8.380 nan 0.000 0.509 195 G N -0.297 108.330 108.800 -0.288 0.000 2.631 195 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.504 195 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.504 195 G C 0.402 175.120 174.900 -0.304 0.000 1.306 195 G CA -0.176 44.775 45.100 -0.248 0.000 0.897 195 G HN 0.458 nan 8.290 nan 0.000 0.520 196 G N -2.426 106.224 108.800 -0.251 0.000 2.225 196 G HA2 0.253 4.213 3.960 -0.001 0.000 0.267 196 G HA3 0.253 4.213 3.960 -0.001 0.000 0.267 196 G C 0.893 175.549 174.900 -0.408 0.000 1.024 196 G CA 1.637 46.561 45.100 -0.294 0.000 0.784 196 G HN 2.449 nan 8.290 nan 0.000 0.507 197 V N -3.410 116.294 119.914 -0.350 0.000 2.769 197 V HA 0.932 5.052 4.120 -0.001 0.000 0.312 197 V C -1.734 174.308 176.094 -0.087 0.000 1.061 197 V CA -2.647 59.455 62.300 -0.331 0.000 0.931 197 V CB 1.890 33.346 31.823 -0.611 0.000 1.010 197 V HN 0.067 nan 8.190 nan 0.000 0.433 198 P HA 0.362 nan 4.420 nan 0.000 0.274 198 P C 0.025 177.433 177.300 0.180 0.000 1.256 198 P CA -0.226 62.947 63.100 0.122 0.000 0.795 198 P CB 0.552 32.354 31.700 0.169 0.000 1.038 199 D N 0.117 120.606 120.400 0.148 0.000 2.182 199 D HA -0.145 4.495 4.640 -0.001 0.000 0.201 199 D C 1.056 177.465 176.300 0.182 0.000 0.986 199 D CA 1.329 55.413 54.000 0.140 0.000 0.847 199 D CB -0.524 40.340 40.800 0.106 0.000 0.942 199 D HN 0.469 nan 8.370 nan 0.000 0.467 200 N N 0.133 118.971 118.700 0.230 0.000 2.313 200 N HA -0.070 4.669 4.740 -0.001 0.000 0.207 200 N C 0.011 175.664 175.510 0.238 0.000 1.141 200 N CA -0.461 52.722 53.050 0.222 0.000 0.830 200 N CB -0.922 37.703 38.487 0.230 0.000 1.008 200 N HN 0.063 nan 8.380 nan 0.000 0.481 201 F N 1.998 122.036 119.950 0.146 0.000 2.572 201 F HA 0.408 4.935 4.527 -0.001 0.000 0.370 201 F C 0.068 175.839 175.800 -0.048 0.000 1.103 201 F CA -0.354 57.693 58.000 0.078 0.000 1.286 201 F CB 0.372 39.444 39.000 0.120 0.000 1.105 201 F HN 0.264 nan 8.300 nan 0.000 0.583 202 A N 4.607 126.628 122.820 -1.331 0.000 2.599 202 A HA 0.411 4.731 4.320 -0.001 0.000 0.294 202 A C -1.747 175.073 177.584 -1.273 0.000 1.055 202 A CA -0.955 50.269 52.037 -1.355 0.000 0.683 202 A CB 0.912 19.319 19.000 -0.988 0.000 1.278 202 A HN 0.836 nan 8.150 nan 0.000 0.412 203 N N 0.301 118.469 118.700 -0.885 0.000 2.419 203 N HA 0.619 5.358 4.740 -0.001 0.000 0.277 203 N C -1.644 173.544 175.510 -0.537 0.000 1.006 203 N CA -0.091 52.566 53.050 -0.655 0.000 0.923 203 N CB 0.411 38.688 38.487 -0.351 0.000 1.140 203 N HN 0.454 nan 8.380 nan 0.000 0.488 204 Y N 3.877 124.037 120.300 -0.232 0.000 2.335 204 Y HA 0.366 4.916 4.550 -0.001 0.000 0.339 204 Y C -0.395 175.422 175.900 -0.139 0.000 0.987 204 Y CA -0.927 57.036 58.100 -0.229 0.000 1.140 204 Y CB 0.419 38.743 38.460 -0.226 0.000 1.173 204 Y HN 0.367 nan 8.280 nan 0.000 0.486 205 F N 1.989 121.880 119.950 -0.099 0.000 2.556 205 F HA 0.917 5.444 4.527 -0.001 0.000 0.327 205 F C -0.636 175.091 175.800 -0.121 0.000 1.059 205 F CA -1.810 56.105 58.000 -0.141 0.000 0.953 205 F CB 1.740 40.445 39.000 -0.493 0.000 1.227 205 F HN 0.388 nan 8.300 nan 0.000 0.478 206 M N 3.834 123.532 119.600 0.163 0.000 2.470 206 M HA 0.728 5.207 4.480 -0.001 0.000 0.285 206 M C -1.799 174.585 176.300 0.139 0.000 1.213 206 M CA -0.805 54.519 55.300 0.040 0.000 0.901 206 M CB 3.027 35.550 32.600 -0.129 0.000 1.718 206 M HN 0.965 nan 8.290 nan 0.000 0.469 207 M N 0.314 119.949 119.600 0.058 0.000 2.575 207 M HA 0.715 5.194 4.480 -0.001 0.000 0.284 207 M C -1.879 174.359 176.300 -0.104 0.000 1.253 207 M CA -0.484 54.836 55.300 0.033 0.000 0.861 207 M CB 2.664 35.257 32.600 -0.012 0.000 1.733 207 M HN 0.926 nan 8.290 nan 0.000 0.462 208 E N 1.612 121.740 120.200 -0.120 0.000 2.272 208 E HA 0.623 4.973 4.350 -0.001 0.000 0.269 208 E C -2.187 174.298 176.600 -0.192 0.000 0.877 208 E CA -0.561 55.809 56.400 -0.051 0.000 0.755 208 E CB 2.167 31.952 29.700 0.141 0.000 1.192 208 E HN 0.665 nan 8.360 nan 0.000 0.422 209 F N 1.577 121.637 119.950 0.183 0.000 2.450 209 F HA 0.177 4.703 4.527 -0.001 0.000 0.332 209 F C 1.613 177.517 175.800 0.174 0.000 1.093 209 F CA -0.495 57.614 58.000 0.182 0.000 1.003 209 F CB 2.052 41.234 39.000 0.304 0.000 1.151 209 F HN 0.555 nan 8.300 nan 0.000 0.474 210 S N -0.199 115.697 115.700 0.327 0.000 2.489 210 S HA 0.020 4.489 4.470 -0.001 0.000 0.228 210 S C 0.138 174.865 174.600 0.212 0.000 0.995 210 S CA 0.656 59.008 58.200 0.254 0.000 0.934 210 S CB -0.568 62.795 63.200 0.271 0.000 0.771 210 S HN 0.634 nan 8.310 nan 0.000 0.522 211 H N 1.210 120.395 119.070 0.191 0.000 2.731 211 H HA 0.618 5.174 4.556 -0.001 0.000 0.368 211 H C -2.862 172.656 175.328 0.316 0.000 1.168 211 H CA -1.879 54.290 56.048 0.203 0.000 1.181 211 H CB 0.635 30.487 29.762 0.150 0.000 1.743 211 H HN 0.024 nan 8.280 nan 0.000 0.547 212 P HA -0.047 nan 4.420 nan 0.000 0.265 212 P C -0.638 176.797 177.300 0.224 0.000 1.187 212 P CA 0.073 63.309 63.100 0.227 0.000 0.766 212 P CB 0.461 32.250 31.700 0.149 0.000 0.820 213 V N 5.641 125.594 119.914 0.065 0.000 2.389 213 V HA 0.018 4.138 4.120 -0.001 0.000 0.264 213 V C 1.526 177.578 176.094 -0.071 0.000 1.049 213 V CA 0.165 62.367 62.300 -0.163 0.000 0.932 213 V CB 0.351 32.067 31.823 -0.178 0.000 1.011 213 V HN 0.492 nan 8.190 nan 0.000 0.475 214 I N 2.686 123.179 120.570 -0.127 0.000 2.852 214 I HA 0.210 4.380 4.170 -0.001 0.000 0.264 214 I C 0.903 177.021 176.117 0.002 0.000 1.179 214 I CA 0.845 62.121 61.300 -0.040 0.000 1.480 214 I CB -0.273 37.689 38.000 -0.064 0.000 1.111 214 I HN 0.622 nan 8.210 nan 0.000 0.441 215 E N -0.418 119.779 120.200 -0.005 0.000 2.388 215 E HA 0.519 4.869 4.350 -0.001 0.000 0.280 215 E C -1.433 175.194 176.600 0.045 0.000 1.019 215 E CA -0.554 55.866 56.400 0.033 0.000 0.806 215 E CB 2.014 31.757 29.700 0.072 0.000 1.246 215 E HN 0.090 nan 8.360 nan 0.000 0.443 216 Y N -0.724 119.493 120.300 -0.137 0.000 2.689 216 Y HA 0.932 5.482 4.550 -0.001 0.000 0.333 216 Y C -0.224 175.186 175.900 -0.816 0.000 1.208 216 Y CA -0.728 57.012 58.100 -0.600 0.000 1.055 216 Y CB 1.226 39.446 38.460 -0.400 0.000 1.304 216 Y HN 0.651 nan 8.280 nan 0.000 0.455 217 G N -0.194 108.017 108.800 -0.982 0.000 2.523 217 G HA2 0.560 4.519 3.960 -0.001 0.000 0.291 217 G HA3 0.560 4.519 3.960 -0.001 0.000 0.291 217 G C -1.512 173.249 174.900 -0.231 0.000 1.450 217 G CA -0.389 44.409 45.100 -0.503 0.000 0.790 217 G HN 1.195 nan 8.290 nan 0.000 0.496 218 T N -2.507 112.021 114.554 -0.044 0.000 2.907 218 T HA 0.775 5.124 4.350 -0.001 0.000 0.290 218 T C -1.409 173.349 174.700 0.098 0.000 1.066 218 T CA -0.896 61.218 62.100 0.024 0.000 1.012 218 T CB 2.355 71.225 68.868 0.003 0.000 1.184 218 T HN 1.424 nan 8.240 nan 0.000 0.522 219 Y N 1.662 121.922 120.300 -0.067 0.000 2.441 219 Y HA 0.495 5.044 4.550 -0.001 0.000 0.334 219 Y C -0.438 175.391 175.900 -0.118 0.000 1.061 219 Y CA -1.123 56.921 58.100 -0.093 0.000 1.032 219 Y CB 1.809 40.203 38.460 -0.110 0.000 1.266 219 Y HN 0.805 nan 8.280 nan 0.000 0.441 220 N N 2.561 120.845 118.700 -0.694 0.000 2.234 220 N HA 0.306 5.045 4.740 -0.001 0.000 0.227 220 N C 0.969 176.114 175.510 -0.609 0.000 1.151 220 N CA 0.277 53.025 53.050 -0.503 0.000 0.865 220 N CB 0.928 39.263 38.487 -0.253 0.000 1.066 220 N HN 1.164 nan 8.380 nan 0.000 0.515 221 G N -0.309 107.740 108.800 -1.251 0.000 2.217 221 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.246 221 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.246 221 G C 0.355 175.066 174.900 -0.316 0.000 0.990 221 G CA 0.557 45.357 45.100 -0.500 0.000 0.627 221 G HN 0.468 nan 8.290 nan 0.000 0.522 222 D N -0.938 119.203 120.400 -0.432 0.000 3.099 222 D HA 0.296 4.935 4.640 -0.001 0.000 0.291 222 D C 0.770 177.024 176.300 -0.076 0.000 1.209 222 D CA 1.362 55.275 54.000 -0.144 0.000 1.032 222 D CB 0.675 41.419 40.800 -0.094 0.000 1.324 222 D HN 0.287 nan 8.370 nan 0.000 0.440 223 T N 1.109 115.578 114.554 -0.143 0.000 2.823 223 T HA 0.445 4.794 4.350 -0.001 0.000 0.279 223 T C -0.795 173.935 174.700 0.050 0.000 0.998 223 T CA -0.642 61.451 62.100 -0.012 0.000 0.994 223 T CB 1.938 70.793 68.868 -0.021 0.000 0.960 223 T HN -0.104 nan 8.240 nan 0.000 0.448 224 L N 3.743 125.049 121.223 0.139 0.000 2.360 224 L HA 0.438 4.778 4.340 -0.001 0.000 0.276 224 L C -0.934 175.895 176.870 -0.069 0.000 1.121 224 L CA -0.412 54.474 54.840 0.076 0.000 0.845 224 L CB -0.131 41.890 42.059 -0.064 0.000 1.143 224 L HN 0.583 nan 8.230 nan 0.000 0.452 225 L N 6.309 127.490 121.223 -0.071 0.000 2.335 225 L HA 0.360 4.700 4.340 -0.001 0.000 0.268 225 L C -0.047 176.799 176.870 -0.040 0.000 1.037 225 L CA -0.471 54.347 54.840 -0.038 0.000 0.895 225 L CB 0.215 42.271 42.059 -0.005 0.000 1.266 225 L HN 0.518 nan 8.230 nan 0.000 0.439 226 H N 2.144 121.280 119.070 0.111 0.000 2.897 226 H HA -0.016 4.540 4.556 -0.001 0.000 0.347 226 H C 0.642 176.002 175.328 0.053 0.000 1.068 226 H CA 0.391 56.504 56.048 0.108 0.000 1.426 226 H CB 0.638 30.465 29.762 0.108 0.000 1.410 226 H HN 0.596 nan 8.280 nan 0.000 0.597 227 H N -0.354 118.631 119.070 -0.141 0.000 3.047 227 H HA -0.194 4.361 4.556 -0.001 0.000 0.263 227 H C -0.235 175.073 175.328 -0.034 0.000 1.168 227 H CA 0.979 56.809 56.048 -0.364 0.000 1.152 227 H CB -0.908 28.703 29.762 -0.251 0.000 1.278 227 H HN 0.647 nan 8.280 nan 0.000 0.339 228 Q N -0.940 118.882 119.800 0.036 0.000 2.222 228 Q HA 0.382 4.721 4.340 -0.001 0.000 0.252 228 Q C 1.491 177.547 176.000 0.094 0.000 0.926 228 Q CA 0.228 56.067 55.803 0.061 0.000 0.899 228 Q CB 1.332 30.089 28.738 0.031 0.000 1.250 228 Q HN 0.483 nan 8.270 nan 0.000 0.441 229 T N -2.370 112.200 114.554 0.027 0.000 3.034 229 T HA 0.124 4.474 4.350 -0.001 0.000 0.248 229 T C -0.040 174.623 174.700 -0.063 0.000 1.040 229 T CA 0.086 62.148 62.100 -0.062 0.000 1.107 229 T CB 0.295 69.074 68.868 -0.148 0.000 0.932 229 T HN 0.362 nan 8.240 nan 0.000 0.474 230 D N 0.872 121.247 120.400 -0.042 0.000 2.256 230 D HA 0.698 5.337 4.640 -0.001 0.000 0.246 230 D C -1.241 175.043 176.300 -0.027 0.000 1.042 230 D CA -0.452 53.524 54.000 -0.041 0.000 0.841 230 D CB 2.455 43.230 40.800 -0.041 0.000 1.223 230 D HN 0.169 nan 8.370 nan 0.000 0.470 231 V N 0.105 120.004 119.914 -0.025 0.000 3.049 231 V HA 0.888 5.007 4.120 -0.001 0.000 0.309 231 V C -1.747 174.337 176.094 -0.017 0.000 1.148 231 V CA -0.576 61.710 62.300 -0.023 0.000 0.990 231 V CB 1.942 33.750 31.823 -0.025 0.000 1.039 231 V HN 0.748 nan 8.190 nan 0.000 0.430 232 A N 4.067 126.877 122.820 -0.017 0.000 2.488 232 A HA 1.070 5.389 4.320 -0.001 0.000 0.295 232 A C -0.523 177.060 177.584 -0.002 0.000 1.045 232 A CA 0.207 52.243 52.037 -0.002 0.000 0.703 232 A CB 1.507 20.507 19.000 -0.001 0.000 1.271 232 A HN 2.549 nan 8.150 nan 0.000 0.400 233 A N 1.342 124.172 122.820 0.017 0.000 2.410 233 A HA 0.609 4.929 4.320 -0.001 0.000 0.300 233 A C 0.336 177.961 177.584 0.069 0.000 1.077 233 A CA 0.418 52.468 52.037 0.022 0.000 0.610 233 A CB -0.291 18.698 19.000 -0.017 0.000 1.371 233 A HN 1.013 nan 8.150 nan 0.000 0.510 234 D N -1.220 119.229 120.400 0.082 0.000 2.104 234 D HA -0.120 4.519 4.640 -0.001 0.000 0.194 234 D C 0.295 176.726 176.300 0.219 0.000 0.994 234 D CA 2.546 56.624 54.000 0.130 0.000 0.830 234 D CB -0.021 40.845 40.800 0.110 0.000 0.959 234 D HN 0.479 nan 8.370 nan 0.000 0.452 235 Y N 0.060 120.382 120.300 0.036 0.000 2.361 235 Y HA 0.479 5.029 4.550 -0.001 0.000 0.337 235 Y C -1.079 174.852 175.900 0.053 0.000 0.965 235 Y CA -1.151 56.982 58.100 0.055 0.000 1.091 235 Y CB 1.397 39.886 38.460 0.049 0.000 1.182 235 Y HN -0.054 nan 8.280 nan 0.000 0.450 236 T N 3.049 117.513 114.554 -0.149 0.000 2.912 236 T HA 0.806 5.155 4.350 -0.001 0.000 0.299 236 T C -1.099 173.506 174.700 -0.159 0.000 1.052 236 T CA -0.560 61.423 62.100 -0.195 0.000 0.996 236 T CB 0.672 69.527 68.868 -0.022 0.000 1.070 236 T HN 0.681 nan 8.240 nan 0.000 0.465 237 C N 1.605 120.880 119.300 -0.041 0.000 2.971 237 C HA 1.044 5.504 4.460 -0.001 0.000 0.310 237 C C 0.149 175.203 174.990 0.108 0.000 1.285 237 C CA -0.598 58.452 59.018 0.053 0.000 1.593 237 C CB 1.301 29.049 27.740 0.012 0.000 2.076 237 C HN 1.351 nan 8.230 nan 0.000 0.472 238 A N 0.460 123.353 122.820 0.121 0.000 2.498 238 A HA 0.921 5.241 4.320 -0.001 0.000 0.298 238 A C -1.426 176.250 177.584 0.153 0.000 1.075 238 A CA -0.442 51.655 52.037 0.100 0.000 0.714 238 A CB 1.108 20.151 19.000 0.071 0.000 1.299 238 A HN 1.254 nan 8.150 nan 0.000 0.407 239 Y N -0.454 119.876 120.300 0.050 0.000 2.562 239 Y HA 0.872 5.421 4.550 -0.001 0.000 0.343 239 Y C -1.496 174.438 175.900 0.056 0.000 1.025 239 Y CA -1.732 56.402 58.100 0.057 0.000 1.082 239 Y CB 1.135 39.593 38.460 -0.003 0.000 1.264 239 Y HN 0.438 nan 8.280 nan 0.000 0.478 240 L N 3.012 124.340 121.223 0.175 0.000 2.408 240 L HA 0.542 4.882 4.340 -0.001 0.000 0.268 240 L C -0.644 176.146 176.870 -0.135 0.000 0.986 240 L CA -0.806 53.922 54.840 -0.187 0.000 0.820 240 L CB 2.300 43.990 42.059 -0.615 0.000 1.303 240 L HN 0.746 nan 8.230 nan 0.000 0.411 241 K N 1.660 121.874 120.400 -0.309 0.000 2.221 241 K HA 0.770 5.089 4.320 -0.001 0.000 0.258 241 K C -1.483 174.721 176.600 -0.660 0.000 0.944 241 K CA -0.372 55.685 56.287 -0.383 0.000 0.823 241 K CB 1.100 33.496 32.500 -0.173 0.000 1.113 241 K HN 0.339 nan 8.250 nan 0.000 0.431 242 F N 0.616 120.400 119.950 -0.278 0.000 2.654 242 F HA 0.304 4.831 4.527 -0.001 0.000 0.334 242 F C -0.178 175.479 175.800 -0.238 0.000 1.078 242 F CA -0.698 57.173 58.000 -0.215 0.000 0.986 242 F CB 1.721 40.586 39.000 -0.225 0.000 1.362 242 F HN 0.490 nan 8.300 nan 0.000 0.498 243 D N 0.687 121.144 120.400 0.096 0.000 2.968 243 D HA 0.259 4.898 4.640 -0.001 0.000 0.301 243 D C -1.473 174.862 176.300 0.058 0.000 1.226 243 D CA 0.078 54.085 54.000 0.013 0.000 0.746 243 D CB 0.557 41.366 40.800 0.015 0.000 1.278 243 D HN 0.131 nan 8.370 nan 0.000 0.544 244 V N 2.659 122.577 119.914 0.007 0.000 2.521 244 V HA 0.289 4.408 4.120 -0.001 0.000 0.286 244 V C -1.634 174.486 176.094 0.043 0.000 1.034 244 V CA -0.907 61.385 62.300 -0.013 0.000 1.045 244 V CB 0.727 32.474 31.823 -0.127 0.000 0.974 244 V HN 0.348 nan 8.190 nan 0.000 0.480 245 P HA 0.240 nan 4.420 nan 0.000 0.272 245 P C -0.308 177.031 177.300 0.065 0.000 1.223 245 P CA -0.248 62.899 63.100 0.078 0.000 0.784 245 P CB 0.471 32.230 31.700 0.098 0.000 0.923 246 A N 1.913 124.766 122.820 0.054 0.000 2.567 246 A HA 0.388 4.707 4.320 -0.001 0.000 0.240 246 A C 1.547 179.161 177.584 0.051 0.000 1.053 246 A CA 0.951 53.018 52.037 0.051 0.000 0.755 246 A CB -1.500 17.525 19.000 0.041 0.000 0.978 246 A HN 0.882 nan 8.150 nan 0.000 0.507 247 G N 1.707 110.535 108.800 0.047 0.000 2.268 247 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.240 247 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.240 247 G C 0.138 175.065 174.900 0.046 0.000 1.010 247 G CA 0.531 45.656 45.100 0.042 0.000 0.618 247 G HN 0.858 nan 8.290 nan 0.000 0.516 248 E N 0.306 120.541 120.200 0.058 0.000 2.254 248 E HA 0.675 5.025 4.350 -0.001 0.000 0.261 248 E C -0.127 176.480 176.600 0.010 0.000 1.051 248 E CA -0.547 55.894 56.400 0.068 0.000 0.902 248 E CB 1.027 30.820 29.700 0.154 0.000 1.168 248 E HN 0.279 nan 8.360 nan 0.000 0.423 249 K N 0.842 121.240 120.400 -0.004 0.000 2.375 249 K HA 0.386 4.705 4.320 -0.001 0.000 0.249 249 K C -1.213 175.315 176.600 -0.120 0.000 0.942 249 K CA -0.980 55.270 56.287 -0.062 0.000 0.806 249 K CB 1.725 34.203 32.500 -0.035 0.000 1.227 249 K HN 0.205 nan 8.250 nan 0.000 0.430 250 L N 1.297 122.421 121.223 -0.165 0.000 2.305 250 L HA 0.296 4.636 4.340 -0.001 0.000 0.281 250 L C -0.724 176.132 176.870 -0.024 0.000 1.085 250 L CA 0.629 55.379 54.840 -0.149 0.000 0.813 250 L CB 1.349 43.306 42.059 -0.168 0.000 1.157 250 L HN 0.529 nan 8.230 nan 0.000 0.436 251 T N 6.613 121.209 114.554 0.070 0.000 2.824 251 T HA 0.614 4.964 4.350 -0.001 0.000 0.280 251 T C -0.265 174.460 174.700 0.042 0.000 0.995 251 T CA -0.115 62.019 62.100 0.057 0.000 1.009 251 T CB 0.667 69.575 68.868 0.065 0.000 0.955 251 T HN 0.439 nan 8.240 nan 0.000 0.452 252 I N 3.482 124.052 120.570 0.000 0.000 2.418 252 I HA 0.477 4.647 4.170 -0.001 0.000 0.287 252 I C 0.041 176.135 176.117 -0.038 0.000 1.008 252 I CA -0.877 60.333 61.300 -0.150 0.000 1.104 252 I CB 1.670 39.511 38.000 -0.265 0.000 1.264 252 I HN 0.318 nan 8.210 nan 0.000 0.438 253 R N 3.453 123.933 120.500 -0.034 0.000 2.494 253 R HA 0.739 5.078 4.340 -0.001 0.000 0.305 253 R C -0.615 175.824 176.300 0.231 0.000 0.959 253 R CA -0.671 55.463 56.100 0.057 0.000 0.864 253 R CB 2.503 32.820 30.300 0.028 0.000 1.159 253 R HN 0.549 nan 8.270 nan 0.000 0.446 254 T N 0.530 115.215 114.554 0.218 0.000 2.900 254 T HA 0.793 5.143 4.350 -0.001 0.000 0.303 254 T C -1.669 173.284 174.700 0.421 0.000 1.142 254 T CA -0.423 61.915 62.100 0.397 0.000 1.007 254 T CB 1.744 70.865 68.868 0.421 0.000 1.156 254 T HN 0.728 nan 8.240 nan 0.000 0.490 255 A N 1.876 125.014 122.820 0.530 0.000 2.609 255 A HA 0.937 5.256 4.320 -0.001 0.000 0.291 255 A C -0.536 177.293 177.584 0.409 0.000 1.096 255 A CA -0.239 52.060 52.037 0.438 0.000 0.684 255 A CB 1.432 20.654 19.000 0.370 0.000 1.282 255 A HN 1.574 nan 8.150 nan 0.000 0.412 256 S N -0.439 115.450 115.700 0.315 0.000 2.671 256 S HA 0.909 5.378 4.470 -0.001 0.000 0.277 256 S C -0.616 174.026 174.600 0.071 0.000 1.165 256 S CA 0.098 58.427 58.200 0.216 0.000 0.822 256 S CB 1.470 64.830 63.200 0.266 0.000 1.150 256 S HN 2.254 nan 8.310 nan 0.000 0.479 257 S N -0.652 115.025 115.700 -0.038 0.000 2.550 257 S HA 0.677 5.146 4.470 -0.001 0.000 0.270 257 S C -1.219 173.265 174.600 -0.193 0.000 1.145 257 S CA -0.645 57.516 58.200 -0.065 0.000 0.852 257 S CB 0.887 64.118 63.200 0.052 0.000 1.119 257 S HN 0.613 nan 8.310 nan 0.000 0.465 258 F N 2.119 122.054 119.950 -0.026 0.000 2.727 258 F HA 0.457 4.984 4.527 -0.001 0.000 0.302 258 F C 1.374 177.134 175.800 -0.067 0.000 1.097 258 F CA 0.047 57.962 58.000 -0.142 0.000 1.330 258 F CB 0.073 38.917 39.000 -0.258 0.000 1.084 258 F HN 0.457 nan 8.300 nan 0.000 0.578 259 I N -1.462 119.231 120.570 0.206 0.000 2.681 259 I HA 0.033 4.203 4.170 -0.001 0.000 0.247 259 I C 0.742 176.859 176.117 0.000 0.000 1.091 259 I CA 0.575 61.974 61.300 0.166 0.000 1.442 259 I CB 0.069 38.150 38.000 0.135 0.000 1.219 259 I HN 0.040 nan 8.210 nan 0.000 0.451 260 S N -1.394 114.207 115.700 -0.164 0.000 2.611 260 S HA 0.353 4.822 4.470 -0.001 0.000 0.268 260 S C -2.526 171.777 174.600 -0.494 0.000 1.156 260 S CA -0.975 56.873 58.200 -0.588 0.000 0.817 260 S CB 1.358 64.360 63.200 -0.329 0.000 1.122 260 S HN -0.256 nan 8.310 nan 0.000 0.466 261 P HA 0.040 nan 4.420 nan 0.000 0.219 261 P C 0.879 178.078 177.300 -0.168 0.000 1.150 261 P CA 1.186 64.114 63.100 -0.286 0.000 0.814 261 P CB 0.015 31.545 31.700 -0.284 0.000 0.787 262 E N -0.373 119.727 120.200 -0.167 0.000 2.051 262 E HA -0.226 4.123 4.350 -0.001 0.000 0.192 262 E C 2.123 178.699 176.600 -0.041 0.000 0.991 262 E CA 1.208 57.553 56.400 -0.092 0.000 0.799 262 E CB -0.935 28.714 29.700 -0.085 0.000 0.748 262 E HN 0.182 nan 8.360 nan 0.000 0.449 263 Q N 0.325 120.101 119.800 -0.040 0.000 2.167 263 Q HA -0.017 4.322 4.340 -0.001 0.000 0.202 263 Q C 1.928 177.960 176.000 0.053 0.000 0.970 263 Q CA 1.632 57.447 55.803 0.020 0.000 0.855 263 Q CB -0.404 28.351 28.738 0.028 0.000 0.911 263 Q HN 0.260 nan 8.270 nan 0.000 0.438 264 A N 0.242 123.081 122.820 0.031 0.000 1.908 264 A HA -0.099 4.221 4.320 -0.001 0.000 0.218 264 A C 2.272 179.928 177.584 0.120 0.000 1.181 264 A CA 1.901 53.987 52.037 0.081 0.000 0.627 264 A CB -1.127 17.906 19.000 0.055 0.000 0.818 264 A HN 0.524 nan 8.150 nan 0.000 0.445 265 A N -0.285 122.568 122.820 0.056 0.000 1.929 265 A HA 0.002 4.322 4.320 -0.001 0.000 0.216 265 A C 2.098 179.773 177.584 0.152 0.000 1.176 265 A CA 1.320 53.396 52.037 0.065 0.000 0.628 265 A CB -0.545 18.440 19.000 -0.025 0.000 0.816 265 A HN 0.486 nan 8.150 nan 0.000 0.444 266 I N 0.304 120.943 120.570 0.115 0.000 2.163 266 I HA -0.293 3.876 4.170 -0.001 0.000 0.243 266 I C 2.110 178.327 176.117 0.167 0.000 1.085 266 I CA 1.321 62.699 61.300 0.130 0.000 1.347 266 I CB -0.456 37.608 38.000 0.107 0.000 1.044 266 I HN 0.301 nan 8.210 nan 0.000 0.408 267 N N 0.807 119.614 118.700 0.179 0.000 2.120 267 N HA -0.228 4.511 4.740 -0.001 0.000 0.188 267 N C 1.767 177.398 175.510 0.200 0.000 1.024 267 N CA 1.402 54.565 53.050 0.188 0.000 0.852 267 N CB -0.691 37.907 38.487 0.186 0.000 1.003 267 N HN 0.330 nan 8.380 nan 0.000 0.424 268 F N 2.044 122.045 119.950 0.086 0.000 2.095 268 F HA -0.122 4.404 4.527 -0.001 0.000 0.298 268 F C 1.950 177.787 175.800 0.061 0.000 1.104 268 F CA 1.296 59.342 58.000 0.077 0.000 1.232 268 F CB -0.140 38.899 39.000 0.066 0.000 0.987 268 F HN -0.008 nan 8.300 nan 0.000 0.475 269 N N 0.335 119.241 118.700 0.343 0.000 2.244 269 N HA -0.159 4.580 4.740 -0.001 0.000 0.183 269 N C 2.023 177.575 175.510 0.069 0.000 1.016 269 N CA 1.040 54.218 53.050 0.213 0.000 0.866 269 N CB -0.453 38.162 38.487 0.213 0.000 0.980 269 N HN 0.387 nan 8.380 nan 0.000 0.430 270 R N 1.172 121.717 120.500 0.075 0.000 2.093 270 R HA 0.008 4.348 4.340 -0.001 0.000 0.224 270 R C 1.261 177.568 176.300 0.011 0.000 1.101 270 R CA 1.066 57.197 56.100 0.050 0.000 0.979 270 R CB 0.267 30.617 30.300 0.085 0.000 0.877 270 R HN 0.280 nan 8.270 nan 0.000 0.441 271 E N -0.639 119.555 120.200 -0.010 0.000 2.201 271 E HA -0.042 4.307 4.350 -0.001 0.000 0.193 271 E C 1.520 178.052 176.600 -0.114 0.000 0.957 271 E CA 0.965 57.348 56.400 -0.028 0.000 0.858 271 E CB 0.862 30.578 29.700 0.026 0.000 0.816 271 E HN 0.305 nan 8.360 nan 0.000 0.475 272 V N -2.633 117.123 119.914 -0.263 0.000 3.485 272 V HA 0.465 4.585 4.120 -0.001 0.000 0.280 272 V C 0.790 176.604 176.094 -0.466 0.000 1.495 272 V CA -0.198 61.885 62.300 -0.362 0.000 1.018 272 V CB 0.219 31.800 31.823 -0.403 0.000 0.818 272 V HN 0.051 nan 8.190 nan 0.000 0.436 273 A N 1.643 124.145 122.820 -0.530 0.000 2.584 273 A HA 0.284 4.604 4.320 -0.001 0.000 0.239 273 A C 1.019 178.539 177.584 -0.107 0.000 1.043 273 A CA 1.127 52.997 52.037 -0.280 0.000 0.756 273 A CB -0.646 18.345 19.000 -0.015 0.000 0.963 273 A HN 0.768 nan 8.150 nan 0.000 0.511 274 D N -1.255 119.124 120.400 -0.036 0.000 3.046 274 D HA -0.202 4.437 4.640 -0.001 0.000 0.210 274 D C 0.393 176.675 176.300 -0.029 0.000 1.124 274 D CA 1.745 55.740 54.000 -0.008 0.000 0.986 274 D CB -1.753 39.050 40.800 0.006 0.000 1.118 274 D HN 1.172 nan 8.370 nan 0.000 0.416 275 A N 0.887 123.667 122.820 -0.066 0.000 2.316 275 A HA 0.492 4.811 4.320 -0.001 0.000 0.284 275 A C 0.443 177.999 177.584 -0.047 0.000 1.115 275 A CA -0.210 51.791 52.037 -0.060 0.000 0.812 275 A CB 0.976 19.924 19.000 -0.087 0.000 1.064 275 A HN 0.154 nan 8.150 nan 0.000 0.489 276 D N 0.668 121.048 120.400 -0.034 0.000 2.440 276 D HA 0.202 4.841 4.640 -0.001 0.000 0.258 276 D C 0.895 177.168 176.300 -0.045 0.000 1.092 276 D CA -0.438 53.545 54.000 -0.029 0.000 1.016 276 D CB 0.788 41.580 40.800 -0.013 0.000 1.141 276 D HN 0.214 nan 8.370 nan 0.000 0.552 277 V N 0.347 120.231 119.914 -0.050 0.000 2.515 277 V HA -0.227 3.893 4.120 -0.001 0.000 0.250 277 V C 2.662 178.729 176.094 -0.045 0.000 1.058 277 V CA 3.214 65.472 62.300 -0.070 0.000 1.064 277 V CB -0.967 30.801 31.823 -0.092 0.000 0.675 277 V HN 0.704 nan 8.190 nan 0.000 0.461 278 Q N -0.740 119.041 119.800 -0.032 0.000 2.119 278 Q HA -0.195 4.145 4.340 -0.001 0.000 0.201 278 Q C 2.117 178.105 176.000 -0.020 0.000 0.972 278 Q CA 2.071 57.862 55.803 -0.020 0.000 0.847 278 Q CB -0.892 27.834 28.738 -0.020 0.000 0.903 278 Q HN 0.654 nan 8.270 nan 0.000 0.433 279 L N 0.239 121.447 121.223 -0.025 0.000 1.989 279 L HA -0.134 4.206 4.340 -0.001 0.000 0.211 279 L C 2.381 179.239 176.870 -0.020 0.000 1.071 279 L CA 1.818 56.643 54.840 -0.024 0.000 0.749 279 L CB -0.404 41.638 42.059 -0.028 0.000 0.890 279 L HN 0.473 nan 8.230 nan 0.000 0.431 280 I N -1.160 119.394 120.570 -0.028 0.000 2.226 280 I HA -0.244 3.926 4.170 -0.001 0.000 0.245 280 I C 2.734 178.863 176.117 0.021 0.000 1.100 280 I CA 1.613 62.902 61.300 -0.019 0.000 1.374 280 I CB -1.752 36.214 38.000 -0.056 0.000 1.057 280 I HN 0.367 nan 8.210 nan 0.000 0.413 281 S N 1.121 116.839 115.700 0.030 0.000 2.359 281 S HA -0.167 4.303 4.470 -0.001 0.000 0.223 281 S C 2.217 176.845 174.600 0.047 0.000 1.039 281 S CA 1.903 60.169 58.200 0.109 0.000 1.042 281 S CB -0.751 62.520 63.200 0.117 0.000 0.915 281 S HN 0.526 nan 8.310 nan 0.000 0.439 282 G N 0.893 109.684 108.800 -0.015 0.000 2.422 282 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.218 282 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.218 282 G C 1.554 176.432 174.900 -0.038 0.000 1.146 282 G CA 0.856 45.918 45.100 -0.062 0.000 0.769 282 G HN 0.559 nan 8.290 nan 0.000 0.547 283 K N 0.439 120.838 120.400 -0.001 0.000 2.025 283 K HA 0.078 4.397 4.320 -0.001 0.000 0.207 283 K C 2.963 179.594 176.600 0.051 0.000 1.049 283 K CA 1.018 57.315 56.287 0.017 0.000 0.933 283 K CB -0.209 32.303 32.500 0.019 0.000 0.714 283 K HN 0.261 nan 8.250 nan 0.000 0.438 284 A N 1.550 124.432 122.820 0.102 0.000 1.930 284 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 284 A C 2.098 179.855 177.584 0.289 0.000 1.175 284 A CA 1.167 53.329 52.037 0.208 0.000 0.627 284 A CB -0.428 18.756 19.000 0.306 0.000 0.815 284 A HN 0.194 nan 8.150 nan 0.000 0.443 285 R N -0.084 120.480 120.500 0.107 0.000 2.083 285 R HA -0.210 4.130 4.340 -0.001 0.000 0.237 285 R C 2.205 178.520 176.300 0.025 0.000 1.137 285 R CA 1.964 57.997 56.100 -0.111 0.000 0.951 285 R CB -0.311 29.630 30.300 -0.598 0.000 0.851 285 R HN 0.750 nan 8.270 nan 0.000 0.434 286 E N -0.218 119.983 120.200 0.002 0.000 2.077 286 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 286 E C 1.957 178.594 176.600 0.062 0.000 0.989 286 E CA 1.077 57.487 56.400 0.016 0.000 0.800 286 E CB 0.117 29.813 29.700 -0.007 0.000 0.746 286 E HN 0.330 nan 8.360 nan 0.000 0.452 287 Q N -0.184 119.659 119.800 0.071 0.000 2.061 287 Q HA -0.196 4.144 4.340 -0.001 0.000 0.204 287 Q C 1.919 177.989 176.000 0.117 0.000 0.984 287 Q CA 1.655 57.501 55.803 0.071 0.000 0.846 287 Q CB -0.663 28.073 28.738 -0.003 0.000 0.902 287 Q HN 0.503 nan 8.270 nan 0.000 0.421 288 W N 1.576 122.986 121.300 0.182 0.000 2.358 288 W HA -0.141 4.519 4.660 -0.001 0.000 0.303 288 W C 2.082 178.712 176.519 0.184 0.000 1.208 288 W CA 0.761 58.219 57.345 0.189 0.000 1.274 288 W CB -0.355 29.200 29.460 0.159 0.000 1.138 288 W HN 0.211 nan 8.180 nan 0.000 0.515 289 N N 0.240 119.140 118.700 0.334 0.000 2.166 289 N HA -0.163 4.577 4.740 -0.001 0.000 0.186 289 N C 1.223 176.871 175.510 0.230 0.000 1.019 289 N CA 1.410 54.626 53.050 0.276 0.000 0.856 289 N CB -0.773 37.806 38.487 0.154 0.000 0.993 289 N HN 0.193 nan 8.380 nan 0.000 0.426 290 N N 0.236 119.005 118.700 0.115 0.000 2.084 290 N HA -0.110 4.629 4.740 -0.001 0.000 0.190 290 N C 1.662 177.147 175.510 -0.042 0.000 1.030 290 N CA 1.024 54.054 53.050 -0.033 0.000 0.849 290 N CB -0.577 37.796 38.487 -0.190 0.000 1.012 290 N HN 0.369 nan 8.380 nan 0.000 0.423 291 Y N 0.978 121.376 120.300 0.164 0.000 2.206 291 Y HA 0.116 4.666 4.550 -0.001 0.000 0.292 291 Y C 2.246 178.344 175.900 0.331 0.000 1.123 291 Y CA 0.544 58.802 58.100 0.264 0.000 1.142 291 Y CB -0.528 37.993 38.460 0.101 0.000 1.006 291 Y HN -0.048 nan 8.280 nan 0.000 0.518 292 L N -0.942 120.544 121.223 0.437 0.000 2.083 292 L HA -0.165 4.175 4.340 -0.001 0.000 0.209 292 L C 2.506 179.409 176.870 0.055 0.000 1.083 292 L CA 1.336 56.386 54.840 0.351 0.000 0.752 292 L CB -1.079 41.199 42.059 0.365 0.000 0.899 292 L HN 0.309 nan 8.230 nan 0.000 0.433 293 G N -0.442 108.320 108.800 -0.062 0.000 2.586 293 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.215 293 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.215 293 G C 1.653 176.517 174.900 -0.061 0.000 1.128 293 G CA 0.024 44.921 45.100 -0.338 0.000 0.774 293 G HN 0.315 nan 8.290 nan 0.000 0.543 294 R N -0.834 119.716 120.500 0.083 0.000 2.237 294 R HA 0.074 4.414 4.340 -0.001 0.000 0.219 294 R C 0.369 176.751 176.300 0.136 0.000 1.080 294 R CA 0.347 56.523 56.100 0.127 0.000 0.995 294 R CB 0.077 30.390 30.300 0.021 0.000 0.875 294 R HN 0.290 nan 8.270 nan 0.000 0.462 295 V N 1.206 121.182 119.914 0.103 0.000 2.483 295 V HA 0.253 4.373 4.120 -0.001 0.000 0.297 295 V C -1.236 174.875 176.094 0.029 0.000 1.027 295 V CA -0.725 61.624 62.300 0.081 0.000 0.855 295 V CB 1.835 33.736 31.823 0.131 0.000 0.995 295 V HN 0.057 nan 8.190 nan 0.000 0.424 296 E N 5.639 125.855 120.200 0.025 0.000 2.092 296 E HA 0.663 5.013 4.350 -0.001 0.000 0.271 296 E C -0.214 176.367 176.600 -0.031 0.000 0.919 296 E CA -0.441 56.022 56.400 0.105 0.000 0.760 296 E CB 1.835 31.700 29.700 0.275 0.000 1.106 296 E HN 0.945 nan 8.360 nan 0.000 0.408 297 A N 4.259 126.990 122.820 -0.148 0.000 2.301 297 A HA 0.460 4.780 4.320 -0.001 0.000 0.312 297 A C -0.284 177.050 177.584 -0.416 0.000 1.182 297 A CA -0.404 51.224 52.037 -0.681 0.000 0.826 297 A CB 0.695 18.618 19.000 -1.796 0.000 1.134 297 A HN 0.644 nan 8.150 nan 0.000 0.501 298 E N 0.322 120.318 120.200 -0.341 0.000 2.383 298 E HA 0.560 4.909 4.350 -0.001 0.000 0.275 298 E C -0.125 176.489 176.600 0.024 0.000 0.918 298 E CA -0.546 55.795 56.400 -0.099 0.000 0.764 298 E CB 1.920 31.610 29.700 -0.017 0.000 1.252 298 E HN 1.589 nan 8.360 nan 0.000 0.449 299 G N 0.775 109.624 108.800 0.083 0.000 2.417 299 G HA2 0.042 4.002 3.960 -0.001 0.000 0.291 299 G HA3 0.042 4.002 3.960 -0.001 0.000 0.291 299 G C -0.029 175.004 174.900 0.222 0.000 1.094 299 G CA -0.010 45.161 45.100 0.119 0.000 1.146 299 G HN 0.777 nan 8.290 nan 0.000 0.519 300 G N -0.957 107.993 108.800 0.250 0.000 2.684 300 G HA2 0.969 4.929 3.960 -0.001 0.000 0.290 300 G HA3 0.969 4.929 3.960 -0.001 0.000 0.290 300 G C 0.029 175.009 174.900 0.134 0.000 1.425 300 G CA 0.646 45.876 45.100 0.216 0.000 0.822 300 G HN 1.502 nan 8.290 nan 0.000 0.482 301 T N -1.488 113.106 114.554 0.067 0.000 2.813 301 T HA 0.242 4.592 4.350 -0.001 0.000 0.297 301 T C 0.645 175.398 174.700 0.088 0.000 1.036 301 T CA 0.190 62.328 62.100 0.063 0.000 1.044 301 T CB 1.190 70.076 68.868 0.031 0.000 0.993 301 T HN 0.252 nan 8.240 nan 0.000 0.535 302 D N 0.347 120.806 120.400 0.099 0.000 2.123 302 D HA -0.111 4.529 4.640 -0.001 0.000 0.196 302 D C 1.895 178.264 176.300 0.115 0.000 0.992 302 D CA 1.456 55.538 54.000 0.138 0.000 0.833 302 D CB -0.286 40.621 40.800 0.178 0.000 0.954 302 D HN 0.826 nan 8.370 nan 0.000 0.455 303 E N 0.997 121.250 120.200 0.088 0.000 2.077 303 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 303 E C 1.967 178.615 176.600 0.080 0.000 0.989 303 E CA 1.314 57.758 56.400 0.073 0.000 0.800 303 E CB -0.166 29.561 29.700 0.046 0.000 0.746 303 E HN 0.342 nan 8.360 nan 0.000 0.452 304 Q N -0.324 119.523 119.800 0.079 0.000 2.084 304 Q HA -0.096 4.243 4.340 -0.001 0.000 0.202 304 Q C 2.429 178.594 176.000 0.275 0.000 0.978 304 Q CA 1.455 57.325 55.803 0.111 0.000 0.844 304 Q CB -0.150 28.543 28.738 -0.074 0.000 0.898 304 Q HN 0.322 nan 8.270 nan 0.000 0.426 305 L N 0.210 121.552 121.223 0.198 0.000 2.017 305 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 305 L C 2.522 179.455 176.870 0.106 0.000 1.073 305 L CA 1.318 56.170 54.840 0.021 0.000 0.745 305 L CB -0.336 41.365 42.059 -0.596 0.000 0.894 305 L HN 0.171 nan 8.230 nan 0.000 0.432 306 R N -0.840 119.741 120.500 0.134 0.000 2.081 306 R HA -0.121 4.218 4.340 -0.001 0.000 0.235 306 R C 2.259 178.652 176.300 0.155 0.000 1.131 306 R CA 1.840 58.080 56.100 0.233 0.000 0.960 306 R CB -0.709 29.708 30.300 0.194 0.000 0.856 306 R HN 0.355 nan 8.270 nan 0.000 0.436 307 T N 1.134 115.742 114.554 0.090 0.000 2.708 307 T HA -0.156 4.194 4.350 -0.001 0.000 0.266 307 T C 1.419 176.083 174.700 -0.060 0.000 1.037 307 T CA 1.301 63.357 62.100 -0.073 0.000 1.146 307 T CB -0.363 68.411 68.868 -0.157 0.000 0.865 307 T HN 0.157 nan 8.240 nan 0.000 0.435 308 F N 1.014 120.997 119.950 0.055 0.000 2.069 308 F HA -0.173 4.353 4.527 -0.001 0.000 0.298 308 F C 1.971 177.737 175.800 -0.057 0.000 1.113 308 F CA 1.312 59.368 58.000 0.094 0.000 1.214 308 F CB -0.482 38.555 39.000 0.061 0.000 0.978 308 F HN 0.146 nan 8.300 nan 0.000 0.474 309 Y N -0.174 120.249 120.300 0.206 0.000 2.373 309 Y HA -0.087 4.462 4.550 -0.001 0.000 0.293 309 Y C 2.691 178.631 175.900 0.067 0.000 1.129 309 Y CA 1.209 59.381 58.100 0.120 0.000 1.226 309 Y CB -0.934 37.712 38.460 0.311 0.000 1.000 309 Y HN 0.020 nan 8.280 nan 0.000 0.549 310 S N -1.213 114.587 115.700 0.167 0.000 2.368 310 S HA -0.182 4.288 4.470 -0.001 0.000 0.224 310 S C 2.192 176.892 174.600 0.166 0.000 1.029 310 S CA 1.312 59.592 58.200 0.133 0.000 0.988 310 S CB -0.726 62.505 63.200 0.051 0.000 0.838 310 S HN 0.522 nan 8.310 nan 0.000 0.462 311 C N 1.112 120.434 119.300 0.037 0.000 2.425 311 C HA 0.044 4.503 4.460 -0.001 0.000 0.277 311 C C 2.507 177.512 174.990 0.025 0.000 1.280 311 C CA 0.341 59.398 59.018 0.065 0.000 1.744 311 C CB -1.297 26.449 27.740 0.010 0.000 1.989 311 C HN 0.513 nan 8.230 nan 0.000 0.491 312 L N 0.572 121.741 121.223 -0.089 0.000 2.027 312 L HA -0.126 4.213 4.340 -0.001 0.000 0.206 312 L C 2.385 179.321 176.870 0.109 0.000 1.074 312 L CA 2.051 56.857 54.840 -0.057 0.000 0.745 312 L CB -1.375 40.594 42.059 -0.151 0.000 0.898 312 L HN 0.547 nan 8.230 nan 0.000 0.433 313 Y N 0.225 120.546 120.300 0.035 0.000 2.114 313 Y HA -0.293 4.256 4.550 -0.001 0.000 0.282 313 Y C 2.513 178.403 175.900 -0.017 0.000 1.165 313 Y CA 1.919 60.008 58.100 -0.018 0.000 1.148 313 Y CB -0.347 37.949 38.460 -0.273 0.000 0.972 313 Y HN 0.108 nan 8.280 nan 0.000 0.504 314 R N -0.120 120.230 120.500 -0.249 0.000 2.105 314 R HA -0.122 4.217 4.340 -0.001 0.000 0.239 314 R C 2.135 178.386 176.300 -0.082 0.000 1.135 314 R CA 1.807 57.744 56.100 -0.272 0.000 0.967 314 R CB -1.311 28.997 30.300 0.014 0.000 0.861 314 R HN 0.417 nan 8.270 nan 0.000 0.442 315 T N 1.663 116.217 114.554 0.002 0.000 2.915 315 T HA 0.029 4.378 4.350 -0.001 0.000 0.269 315 T C 1.650 176.418 174.700 0.113 0.000 1.071 315 T CA 0.683 62.828 62.100 0.074 0.000 1.132 315 T CB 0.015 68.917 68.868 0.056 0.000 0.878 315 T HN 0.164 nan 8.240 nan 0.000 0.479 316 L N 0.491 121.653 121.223 -0.101 0.000 2.611 316 L HA 0.287 4.626 4.340 -0.001 0.000 0.229 316 L C 1.703 178.074 176.870 -0.832 0.000 1.137 316 L CA 0.121 54.627 54.840 -0.556 0.000 0.901 316 L CB -0.372 41.203 42.059 -0.807 0.000 1.098 316 L HN 0.253 nan 8.230 nan 0.000 0.456 317 L N -1.171 119.822 121.223 -0.384 0.000 2.168 317 L HA 0.105 4.445 4.340 -0.001 0.000 0.203 317 L C 0.557 177.253 176.870 -0.290 0.000 1.078 317 L CA 0.861 55.437 54.840 -0.440 0.000 0.780 317 L CB 0.038 41.705 42.059 -0.653 0.000 0.939 317 L HN 0.076 nan 8.230 nan 0.000 0.451 318 F N -0.796 119.339 119.950 0.309 0.000 2.572 318 F HA 0.452 4.979 4.527 -0.001 0.000 0.342 318 F C -1.845 174.308 175.800 0.589 0.000 1.064 318 F CA -2.720 55.537 58.000 0.428 0.000 1.008 318 F CB -0.163 39.026 39.000 0.314 0.000 1.303 318 F HN -0.265 nan 8.300 nan 0.000 0.492 319 P HA -0.124 nan 4.420 nan 0.000 0.268 319 P C -0.940 176.782 177.300 0.704 0.000 1.171 319 P CA 0.160 63.682 63.100 0.703 0.000 0.761 319 P CB 0.412 32.487 31.700 0.626 0.000 0.786 320 R N 1.716 122.521 120.500 0.510 0.000 2.531 320 R HA 0.314 4.654 4.340 -0.001 0.000 0.273 320 R C -0.129 176.280 176.300 0.181 0.000 1.070 320 R CA -0.711 55.586 56.100 0.327 0.000 1.112 320 R CB 0.387 30.753 30.300 0.108 0.000 1.049 320 R HN 0.391 nan 8.270 nan 0.000 0.508 321 E N 1.249 121.382 120.200 -0.111 0.000 2.415 321 E HA -0.071 4.278 4.350 -0.001 0.000 0.263 321 E C -0.736 175.704 176.600 -0.266 0.000 0.995 321 E CA 0.199 56.203 56.400 -0.660 0.000 0.915 321 E CB 0.357 29.600 29.700 -0.762 0.000 0.951 321 E HN 0.507 nan 8.360 nan 0.000 0.449 322 F N 3.418 123.141 119.950 -0.378 0.000 2.698 322 F HA 0.170 4.696 4.527 -0.001 0.000 0.304 322 F C -0.754 175.065 175.800 0.031 0.000 1.108 322 F CA -0.538 57.395 58.000 -0.112 0.000 1.263 322 F CB 0.357 39.310 39.000 -0.079 0.000 1.013 322 F HN 0.409 nan 8.300 nan 0.000 0.532 323 Y N -1.056 119.246 120.300 0.004 0.000 2.567 323 Y HA 0.817 5.366 4.550 -0.001 0.000 0.333 323 Y C -0.483 175.348 175.900 -0.116 0.000 1.106 323 Y CA -1.482 56.627 58.100 0.014 0.000 1.157 323 Y CB 0.685 39.173 38.460 0.047 0.000 1.277 323 Y HN 0.002 nan 8.280 nan 0.000 0.490 324 E N 0.629 120.831 120.200 0.002 0.000 2.433 324 E HA 0.484 4.833 4.350 -0.001 0.000 0.273 324 E C -1.993 174.459 176.600 -0.246 0.000 0.950 324 E CA -0.996 55.347 56.400 -0.094 0.000 0.796 324 E CB 2.329 32.060 29.700 0.052 0.000 1.330 324 E HN 0.497 nan 8.360 nan 0.000 0.455 325 F N 1.938 122.007 119.950 0.198 0.000 2.426 325 F HA 0.196 4.723 4.527 -0.001 0.000 0.348 325 F C 0.530 176.401 175.800 0.119 0.000 1.124 325 F CA -0.915 57.185 58.000 0.168 0.000 1.008 325 F CB 0.905 40.003 39.000 0.165 0.000 1.139 325 F HN 0.376 nan 8.300 nan 0.000 0.452 326 D N 0.190 120.732 120.400 0.237 0.000 2.398 326 D HA 0.052 4.692 4.640 -0.001 0.000 0.264 326 D C 1.290 177.675 176.300 0.141 0.000 1.263 326 D CA -0.156 53.933 54.000 0.149 0.000 1.037 326 D CB 0.013 40.871 40.800 0.096 0.000 1.101 326 D HN 0.396 nan 8.370 nan 0.000 0.551 327 S N -1.517 114.240 115.700 0.094 0.000 2.469 327 S HA -0.210 4.259 4.470 -0.001 0.000 0.238 327 S C 1.405 176.050 174.600 0.076 0.000 0.998 327 S CA 0.782 59.029 58.200 0.078 0.000 0.957 327 S CB -0.365 62.867 63.200 0.053 0.000 0.764 327 S HN 0.394 nan 8.310 nan 0.000 0.514 328 Q N 0.753 120.603 119.800 0.082 0.000 2.360 328 Q HA 0.385 4.724 4.340 -0.001 0.000 0.202 328 Q C 1.406 177.463 176.000 0.095 0.000 0.915 328 Q CA 0.546 56.394 55.803 0.074 0.000 0.943 328 Q CB -0.129 28.648 28.738 0.064 0.000 1.064 328 Q HN 0.729 nan 8.270 nan 0.000 0.511 329 G N 0.461 109.344 108.800 0.139 0.000 2.136 329 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.242 329 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.242 329 G C -0.191 174.879 174.900 0.284 0.000 0.989 329 G CA -0.061 45.139 45.100 0.167 0.000 0.682 329 G HN 0.250 nan 8.290 nan 0.000 0.522 330 N N 1.379 120.244 118.700 0.274 0.000 2.473 330 N HA 0.476 5.215 4.740 -0.001 0.000 0.291 330 N C -2.564 173.111 175.510 0.275 0.000 1.083 330 N CA -1.434 51.776 53.050 0.266 0.000 0.951 330 N CB 1.887 40.449 38.487 0.125 0.000 1.164 330 N HN 0.101 nan 8.380 nan 0.000 0.480 331 P HA 0.056 nan 4.420 nan 0.000 0.271 331 P C -0.465 176.785 177.300 -0.083 0.000 1.226 331 P CA -0.110 62.912 63.100 -0.131 0.000 0.765 331 P CB 0.697 32.222 31.700 -0.292 0.000 0.835 332 V N 1.971 121.877 119.914 -0.013 0.000 3.114 332 V HA 0.847 4.966 4.120 -0.001 0.000 0.308 332 V C -1.460 174.759 176.094 0.209 0.000 1.168 332 V CA -1.248 61.076 62.300 0.040 0.000 1.015 332 V CB 2.001 33.831 31.823 0.011 0.000 1.050 332 V HN 0.612 nan 8.190 nan 0.000 0.433 333 Y N 0.505 120.893 120.300 0.147 0.000 2.552 333 Y HA 0.740 5.289 4.550 -0.001 0.000 0.337 333 Y C -1.195 174.877 175.900 0.287 0.000 1.094 333 Y CA -1.681 56.549 58.100 0.217 0.000 1.028 333 Y CB 1.267 39.892 38.460 0.276 0.000 1.321 333 Y HN 0.925 nan 8.280 nan 0.000 0.456 334 Y N 2.687 123.194 120.300 0.345 0.000 2.496 334 Y HA 0.394 4.944 4.550 -0.001 0.000 0.334 334 Y C 0.390 176.643 175.900 0.589 0.000 1.080 334 Y CA 0.148 58.461 58.100 0.356 0.000 1.355 334 Y CB 0.946 39.597 38.460 0.318 0.000 1.193 334 Y HN 0.806 nan 8.280 nan 0.000 0.523 335 S N 8.602 124.281 115.700 -0.035 0.000 2.474 335 S HA 0.272 4.742 4.470 -0.001 0.000 0.276 335 S C -1.674 172.700 174.600 -0.377 0.000 1.227 335 S CA -1.496 56.759 58.200 0.092 0.000 1.050 335 S CB 0.679 64.021 63.200 0.237 0.000 0.939 335 S HN 0.689 nan 8.310 nan 0.000 0.490 336 P HA 0.034 nan 4.420 nan 0.000 0.242 336 P C 0.040 176.980 177.300 -0.600 0.000 1.197 336 P CA 0.558 63.388 63.100 -0.450 0.000 0.765 336 P CB -0.105 31.154 31.700 -0.735 0.000 0.936 337 Y N 1.343 121.550 120.300 -0.154 0.000 2.396 337 Y HA 0.032 4.581 4.550 -0.001 0.000 0.292 337 Y C 1.898 177.779 175.900 -0.031 0.000 1.128 337 Y CA 1.236 59.272 58.100 -0.108 0.000 1.194 337 Y CB -0.313 38.077 38.460 -0.117 0.000 1.124 337 Y HN 0.045 nan 8.280 nan 0.000 0.543 338 D N -2.423 118.042 120.400 0.108 0.000 2.500 338 D HA 0.208 4.848 4.640 -0.001 0.000 0.217 338 D C 1.646 177.973 176.300 0.046 0.000 1.159 338 D CA 0.577 54.636 54.000 0.098 0.000 0.828 338 D CB 0.318 41.203 40.800 0.142 0.000 1.039 338 D HN 0.254 nan 8.370 nan 0.000 0.512 339 G N 0.162 108.911 108.800 -0.085 0.000 2.184 339 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.264 339 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.264 339 G C -0.096 174.800 174.900 -0.007 0.000 0.975 339 G CA 0.249 45.300 45.100 -0.082 0.000 0.642 339 G HN 0.534 nan 8.290 nan 0.000 0.536 340 N N -1.152 117.535 118.700 -0.021 0.000 2.477 340 N HA 0.594 5.333 4.740 -0.001 0.000 0.284 340 N C -0.088 175.372 175.510 -0.084 0.000 1.182 340 N CA -0.745 52.277 53.050 -0.048 0.000 0.949 340 N CB 1.997 40.390 38.487 -0.158 0.000 1.204 340 N HN 0.035 nan 8.380 nan 0.000 0.526 341 V N 1.163 120.996 119.914 -0.136 0.000 2.546 341 V HA 0.233 4.352 4.120 -0.001 0.000 0.284 341 V C -0.531 175.302 176.094 -0.435 0.000 1.050 341 V CA -0.001 62.217 62.300 -0.138 0.000 0.981 341 V CB 0.565 32.361 31.823 -0.046 0.000 0.990 341 V HN 0.664 nan 8.190 nan 0.000 0.474 342 H N 0.889 119.686 119.070 -0.456 0.000 2.865 342 H HA 0.468 5.024 4.556 -0.001 0.000 0.372 342 H C -0.929 174.104 175.328 -0.492 0.000 1.173 342 H CA -0.871 54.851 56.048 -0.543 0.000 1.147 342 H CB 1.315 30.572 29.762 -0.842 0.000 1.805 342 H HN 0.575 nan 8.280 nan 0.000 0.553 343 D N 0.896 121.212 120.400 -0.139 0.000 2.304 343 D HA 0.439 5.079 4.640 -0.001 0.000 0.250 343 D C 0.991 177.266 176.300 -0.041 0.000 1.107 343 D CA 0.966 54.911 54.000 -0.092 0.000 0.885 343 D CB 1.561 42.330 40.800 -0.052 0.000 1.192 343 D HN 0.844 nan 8.370 nan 0.000 0.436 344 G N 0.704 109.444 108.800 -0.100 0.000 2.342 344 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.220 344 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.220 344 G C -1.612 173.133 174.900 -0.257 0.000 1.243 344 G CA -0.918 44.034 45.100 -0.247 0.000 1.083 344 G HN 0.314 nan 8.290 nan 0.000 0.500 345 Y N -0.618 119.724 120.300 0.069 0.000 2.487 345 Y HA 0.891 5.440 4.550 -0.001 0.000 0.337 345 Y C 0.613 176.339 175.900 -0.290 0.000 1.076 345 Y CA -0.751 57.232 58.100 -0.195 0.000 1.115 345 Y CB 2.102 40.430 38.460 -0.220 0.000 1.235 345 Y HN 0.849 nan 8.280 nan 0.000 0.468 346 M N 2.118 121.705 119.600 -0.023 0.000 2.465 346 M HA 0.556 5.035 4.480 -0.001 0.000 0.284 346 M C -2.403 173.988 176.300 0.152 0.000 1.212 346 M CA -1.062 54.146 55.300 -0.153 0.000 0.910 346 M CB 1.682 33.837 32.600 -0.742 0.000 1.725 346 M HN 0.572 nan 8.290 nan 0.000 0.477 347 Y N 0.253 120.628 120.300 0.125 0.000 2.581 347 Y HA 0.828 5.377 4.550 -0.001 0.000 0.345 347 Y C -0.003 175.939 175.900 0.071 0.000 1.036 347 Y CA -0.302 57.904 58.100 0.177 0.000 1.042 347 Y CB 2.780 41.363 38.460 0.206 0.000 1.289 347 Y HN 0.801 nan 8.280 nan 0.000 0.471 348 T N -0.547 114.142 114.554 0.226 0.000 2.648 348 T HA 0.305 4.655 4.350 -0.001 0.000 0.304 348 T C -2.062 172.772 174.700 0.223 0.000 1.312 348 T CA -0.482 61.658 62.100 0.067 0.000 1.023 348 T CB 0.826 69.488 68.868 -0.343 0.000 1.612 348 T HN 0.677 nan 8.240 nan 0.000 0.487 349 D N 1.331 121.851 120.400 0.199 0.000 2.778 349 D HA -0.114 4.525 4.640 -0.001 0.000 0.246 349 D C -0.846 175.621 176.300 0.277 0.000 1.107 349 D CA 0.857 55.080 54.000 0.371 0.000 0.732 349 D CB -1.107 40.015 40.800 0.536 0.000 1.055 349 D HN 0.470 nan 8.370 nan 0.000 0.429 350 N N -0.677 118.001 118.700 -0.037 0.000 2.371 350 N HA 0.548 5.288 4.740 -0.001 0.000 0.280 350 N C -0.672 174.056 175.510 -1.303 0.000 1.084 350 N CA -0.246 52.551 53.050 -0.421 0.000 0.892 350 N CB 1.840 40.264 38.487 -0.106 0.000 1.653 350 N HN 0.113 nan 8.380 nan 0.000 0.480 351 G N 1.573 109.249 108.800 -1.872 0.000 2.415 351 G HA2 0.345 4.305 3.960 -0.001 0.000 0.317 351 G HA3 0.345 4.305 3.960 -0.001 0.000 0.317 351 G C 0.256 174.824 174.900 -0.553 0.000 1.152 351 G CA -0.329 43.558 45.100 -2.022 0.000 0.956 351 G HN 0.469 nan 8.290 nan 0.000 0.458 352 F N 1.107 120.946 119.950 -0.185 0.000 2.269 352 F HA 0.032 4.558 4.527 -0.001 0.000 0.301 352 F C 2.019 177.989 175.800 0.282 0.000 1.082 352 F CA -0.113 57.934 58.000 0.079 0.000 1.360 352 F CB -0.387 38.664 39.000 0.086 0.000 1.041 352 F HN 0.748 nan 8.300 nan 0.000 0.512 353 W N 1.471 122.930 121.300 0.265 0.000 2.341 353 W HA -0.232 4.427 4.660 -0.001 0.000 0.283 353 W C 2.225 178.921 176.519 0.295 0.000 1.215 353 W CA 2.082 59.643 57.345 0.360 0.000 1.211 353 W CB -0.253 29.379 29.460 0.286 0.000 1.131 353 W HN 0.032 nan 8.180 nan 0.000 0.552 354 D N -1.495 119.028 120.400 0.204 0.000 2.269 354 D HA -0.135 4.504 4.640 -0.001 0.000 0.220 354 D C 2.034 178.285 176.300 -0.082 0.000 0.962 354 D CA 2.081 56.062 54.000 -0.031 0.000 0.884 354 D CB -0.162 40.701 40.800 0.105 0.000 1.023 354 D HN 0.197 nan 8.370 nan 0.000 0.484 355 T N -1.105 113.502 114.554 0.089 0.000 3.088 355 T HA -0.050 4.299 4.350 -0.001 0.000 0.259 355 T C 2.001 176.812 174.700 0.186 0.000 1.122 355 T CA 0.216 62.398 62.100 0.137 0.000 1.095 355 T CB -0.797 68.250 68.868 0.299 0.000 0.930 355 T HN 0.222 nan 8.240 nan 0.000 0.508 356 F N 2.266 122.285 119.950 0.115 0.000 2.269 356 F HA 0.208 4.734 4.527 -0.001 0.000 0.301 356 F C 2.165 177.926 175.800 -0.065 0.000 1.082 356 F CA 0.214 58.235 58.000 0.034 0.000 1.360 356 F CB -0.462 38.554 39.000 0.027 0.000 1.041 356 F HN -0.025 nan 8.300 nan 0.000 0.512 357 R N 0.578 120.488 120.500 -0.983 0.000 2.075 357 R HA 0.147 4.487 4.340 -0.001 0.000 0.232 357 R C 1.953 177.945 176.300 -0.514 0.000 1.126 357 R CA 1.440 56.928 56.100 -1.019 0.000 0.963 357 R CB -0.375 29.368 30.300 -0.928 0.000 0.858 357 R HN 0.512 nan 8.270 nan 0.000 0.435 358 A N -1.157 121.493 122.820 -0.284 0.000 1.827 358 A HA 0.143 4.462 4.320 -0.001 0.000 0.196 358 A C 1.794 179.388 177.584 0.017 0.000 1.833 358 A CA -0.313 51.639 52.037 -0.141 0.000 1.363 358 A CB 0.045 19.064 19.000 0.031 0.000 1.439 358 A HN 0.000 nan 8.150 nan 0.000 0.391 359 V N 0.891 120.733 119.914 -0.120 0.000 2.255 359 V HA -0.259 3.860 4.120 -0.001 0.000 0.247 359 V C 2.375 178.018 176.094 -0.751 0.000 1.051 359 V CA 2.394 64.465 62.300 -0.382 0.000 1.018 359 V CB -0.936 30.670 31.823 -0.362 0.000 0.641 359 V HN 0.621 nan 8.190 nan 0.000 0.445 360 H N -0.722 118.147 119.070 -0.335 0.000 2.395 360 H HA -0.036 4.520 4.556 -0.001 0.000 0.299 360 H C -0.041 175.284 175.328 -0.006 0.000 1.070 360 H CA 1.703 57.630 56.048 -0.203 0.000 1.356 360 H CB -1.479 28.281 29.762 -0.004 0.000 1.401 360 H HN 0.414 nan 8.280 nan 0.000 0.524 361 P HA -0.140 nan 4.420 nan 0.000 0.216 361 P C 1.913 179.481 177.300 0.447 0.000 1.150 361 P CA 0.740 63.985 63.100 0.242 0.000 0.837 361 P CB -0.086 31.667 31.700 0.088 0.000 0.786 362 L N -1.711 119.746 121.223 0.391 0.000 2.046 362 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 362 L C 2.067 179.184 176.870 0.413 0.000 1.077 362 L CA 1.916 56.901 54.840 0.242 0.000 0.747 362 L CB -1.191 40.833 42.059 -0.057 0.000 0.896 362 L HN -0.155 nan 8.230 nan 0.000 0.432 363 F N -0.186 119.968 119.950 0.339 0.000 2.134 363 F HA -0.178 4.348 4.527 -0.001 0.000 0.299 363 F C 2.787 178.757 175.800 0.283 0.000 1.097 363 F CA 1.443 59.660 58.000 0.362 0.000 1.264 363 F CB -2.109 37.023 39.000 0.220 0.000 1.001 363 F HN 0.303 nan 8.300 nan 0.000 0.479 364 T N -1.564 113.250 114.554 0.434 0.000 2.881 364 T HA -0.167 4.183 4.350 -0.001 0.000 0.270 364 T C 1.954 176.879 174.700 0.374 0.000 1.068 364 T CA 1.265 63.554 62.100 0.314 0.000 1.131 364 T CB -0.633 68.357 68.868 0.203 0.000 0.871 364 T HN 0.180 nan 8.240 nan 0.000 0.479 365 L N -0.110 121.360 121.223 0.412 0.000 2.121 365 L HA 0.470 4.809 4.340 -0.001 0.000 0.200 365 L C 2.140 179.079 176.870 0.115 0.000 1.077 365 L CA 1.386 56.420 54.840 0.324 0.000 0.766 365 L CB -0.464 41.765 42.059 0.284 0.000 0.931 365 L HN 0.258 nan 8.230 nan 0.000 0.452 366 L N -2.083 119.167 121.223 0.044 0.000 2.515 366 L HA 0.077 4.417 4.340 -0.001 0.000 0.223 366 L C -0.000 176.536 176.870 -0.557 0.000 1.079 366 L CA 0.139 54.788 54.840 -0.317 0.000 0.857 366 L CB 0.233 41.978 42.059 -0.523 0.000 1.050 366 L HN 0.191 nan 8.230 nan 0.000 0.476 367 Y N -1.450 119.004 120.300 0.257 0.000 2.555 367 Y HA 0.275 4.825 4.550 -0.001 0.000 0.317 367 Y C -1.759 174.184 175.900 0.073 0.000 0.928 367 Y CA -1.824 56.387 58.100 0.185 0.000 1.116 367 Y CB -0.119 38.467 38.460 0.210 0.000 1.169 367 Y HN -0.058 nan 8.280 nan 0.000 0.627 368 P HA -0.211 nan 4.420 nan 0.000 0.222 368 P C 1.219 178.539 177.300 0.033 0.000 1.147 368 P CA 1.517 64.688 63.100 0.117 0.000 0.790 368 P CB 0.429 32.193 31.700 0.107 0.000 0.780 369 E N 0.472 120.683 120.200 0.018 0.000 2.268 369 E HA -0.079 4.271 4.350 -0.001 0.000 0.195 369 E C 1.711 178.222 176.600 -0.149 0.000 0.995 369 E CA 0.965 57.344 56.400 -0.035 0.000 0.836 369 E CB -1.224 28.483 29.700 0.011 0.000 0.763 369 E HN 0.116 nan 8.360 nan 0.000 0.491 370 V N 1.433 121.193 119.914 -0.256 0.000 2.346 370 V HA -0.166 3.953 4.120 -0.001 0.000 0.244 370 V C 2.509 178.372 176.094 -0.386 0.000 1.037 370 V CA 1.616 63.604 62.300 -0.519 0.000 1.029 370 V CB -0.501 30.663 31.823 -1.097 0.000 0.663 370 V HN 0.236 nan 8.190 nan 0.000 0.454 371 S N -0.197 115.405 115.700 -0.163 0.000 2.387 371 S HA -0.272 4.198 4.470 -0.001 0.000 0.230 371 S C 1.887 176.438 174.600 -0.083 0.000 1.035 371 S CA 1.762 59.940 58.200 -0.036 0.000 1.014 371 S CB -0.334 62.926 63.200 0.100 0.000 0.836 371 S HN 0.670 nan 8.310 nan 0.000 0.466 372 E N 0.662 120.815 120.200 -0.079 0.000 2.097 372 E HA -0.178 4.172 4.350 -0.001 0.000 0.196 372 E C 2.389 178.943 176.600 -0.076 0.000 1.000 372 E CA 1.087 57.452 56.400 -0.059 0.000 0.804 372 E CB -0.098 29.573 29.700 -0.049 0.000 0.740 372 E HN 0.443 nan 8.360 nan 0.000 0.454 373 R N 0.000 120.400 120.500 -0.167 0.000 2.100 373 R HA 0.001 4.341 4.340 -0.001 0.000 0.220 373 R C 2.463 178.704 176.300 -0.099 0.000 1.091 373 R CA 0.544 56.551 56.100 -0.155 0.000 0.986 373 R CB -0.108 30.012 30.300 -0.301 0.000 0.888 373 R HN 0.022 nan 8.270 nan 0.000 0.444 374 V N 1.522 121.227 119.914 -0.348 0.000 2.343 374 V HA -0.272 3.848 4.120 -0.001 0.000 0.247 374 V C 2.630 178.652 176.094 -0.121 0.000 1.051 374 V CA 2.457 64.545 62.300 -0.354 0.000 1.036 374 V CB -0.790 30.811 31.823 -0.369 0.000 0.654 374 V HN 0.556 nan 8.190 nan 0.000 0.451 375 T N -1.208 113.283 114.554 -0.104 0.000 2.746 375 T HA -0.294 4.056 4.350 -0.001 0.000 0.267 375 T C 1.766 176.458 174.700 -0.014 0.000 1.039 375 T CA 1.745 63.802 62.100 -0.072 0.000 1.142 375 T CB -0.477 68.368 68.868 -0.037 0.000 0.866 375 T HN 0.592 nan 8.240 nan 0.000 0.444 376 Q N 1.161 120.983 119.800 0.036 0.000 2.084 376 Q HA -0.029 4.310 4.340 -0.001 0.000 0.202 376 Q C 2.773 178.821 176.000 0.081 0.000 0.978 376 Q CA 1.613 57.464 55.803 0.080 0.000 0.844 376 Q CB -0.377 28.448 28.738 0.146 0.000 0.898 376 Q HN 0.529 nan 8.270 nan 0.000 0.426 377 S N 0.899 116.662 115.700 0.105 0.000 2.399 377 S HA -0.108 4.362 4.470 -0.001 0.000 0.231 377 S C 1.923 176.553 174.600 0.050 0.000 1.022 377 S CA 0.872 59.134 58.200 0.103 0.000 0.983 377 S CB -0.169 63.173 63.200 0.237 0.000 0.803 377 S HN 0.273 nan 8.310 nan 0.000 0.480 378 I N 1.209 121.804 120.570 0.043 0.000 2.202 378 I HA -0.160 4.009 4.170 -0.001 0.000 0.242 378 I C 1.876 177.990 176.117 -0.004 0.000 1.091 378 I CA 0.895 62.212 61.300 0.028 0.000 1.368 378 I CB -0.257 37.730 38.000 -0.021 0.000 1.058 378 I HN 0.251 nan 8.210 nan 0.000 0.410 379 I N 0.829 121.394 120.570 -0.008 0.000 2.286 379 I HA -0.249 3.921 4.170 -0.001 0.000 0.248 379 I C 2.172 178.323 176.117 0.057 0.000 1.115 379 I CA 1.426 62.740 61.300 0.022 0.000 1.392 379 I CB -1.666 36.337 38.000 0.006 0.000 1.065 379 I HN 0.310 nan 8.210 nan 0.000 0.418 380 N N 1.471 120.185 118.700 0.024 0.000 2.104 380 N HA -0.138 4.601 4.740 -0.001 0.000 0.190 380 N C 1.941 177.397 175.510 -0.091 0.000 1.024 380 N CA 1.734 54.785 53.050 0.001 0.000 0.853 380 N CB -0.312 38.199 38.487 0.039 0.000 1.008 380 N HN 0.380 nan 8.380 nan 0.000 0.424 381 A N 0.157 122.864 122.820 -0.189 0.000 1.898 381 A HA -0.175 4.144 4.320 -0.001 0.000 0.216 381 A C 2.163 179.538 177.584 -0.349 0.000 1.181 381 A CA 1.115 52.810 52.037 -0.571 0.000 0.620 381 A CB -1.001 17.441 19.000 -0.931 0.000 0.819 381 A HN 0.420 nan 8.150 nan 0.000 0.442 382 Y N 1.583 121.747 120.300 -0.227 0.000 2.165 382 Y HA -0.249 4.301 4.550 -0.001 0.000 0.286 382 Y C 2.063 177.887 175.900 -0.126 0.000 1.155 382 Y CA 2.185 60.208 58.100 -0.128 0.000 1.164 382 Y CB -0.312 38.081 38.460 -0.112 0.000 0.978 382 Y HN 0.324 nan 8.280 nan 0.000 0.513 383 N N 0.522 119.126 118.700 -0.161 0.000 2.244 383 N HA -0.140 4.599 4.740 -0.001 0.000 0.183 383 N C 1.477 176.874 175.510 -0.189 0.000 1.016 383 N CA 1.724 54.641 53.050 -0.223 0.000 0.866 383 N CB -0.236 38.211 38.487 -0.067 0.000 0.980 383 N HN 0.596 nan 8.380 nan 0.000 0.430 384 E N -0.787 119.326 120.200 -0.144 0.000 2.385 384 E HA 0.045 4.394 4.350 -0.001 0.000 0.194 384 E C 1.338 177.939 176.600 0.002 0.000 1.013 384 E CA 0.620 56.986 56.400 -0.057 0.000 0.866 384 E CB 0.279 29.958 29.700 -0.034 0.000 0.832 384 E HN 0.346 nan 8.360 nan 0.000 0.500 385 S N -2.440 113.240 115.700 -0.033 0.000 2.651 385 S HA 0.300 4.769 4.470 -0.001 0.000 0.259 385 S C 1.531 176.185 174.600 0.090 0.000 1.073 385 S CA 0.328 58.610 58.200 0.136 0.000 1.090 385 S CB 1.059 64.472 63.200 0.355 0.000 1.042 385 S HN 0.257 nan 8.310 nan 0.000 0.581 386 G N 0.456 109.144 108.800 -0.187 0.000 2.195 386 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.246 386 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.246 386 G C -0.161 174.482 174.900 -0.429 0.000 0.984 386 G CA 0.227 45.057 45.100 -0.449 0.000 0.633 386 G HN 0.540 nan 8.290 nan 0.000 0.525 387 F N 0.045 120.078 119.950 0.138 0.000 2.601 387 F HA 0.723 5.249 4.527 -0.001 0.000 0.309 387 F C 0.592 176.592 175.800 0.332 0.000 1.089 387 F CA -1.040 57.150 58.000 0.317 0.000 0.940 387 F CB 1.522 40.611 39.000 0.147 0.000 1.273 387 F HN -0.047 nan 8.300 nan 0.000 0.450 388 M N 4.512 124.401 119.600 0.481 0.000 2.243 388 M HA 0.250 4.729 4.480 -0.001 0.000 0.341 388 M C -2.288 174.248 176.300 0.393 0.000 1.130 388 M CA -1.405 54.078 55.300 0.304 0.000 1.162 388 M CB 0.620 33.306 32.600 0.144 0.000 1.497 388 M HN 0.167 nan 8.290 nan 0.000 0.456 389 P HA 0.119 nan 4.420 nan 0.000 0.274 389 P C -0.616 176.855 177.300 0.285 0.000 1.237 389 P CA 0.032 63.355 63.100 0.371 0.000 0.793 389 P CB 1.148 32.957 31.700 0.182 0.000 0.977 390 E N 0.335 120.650 120.200 0.191 0.000 2.756 390 E HA 0.083 4.432 4.350 -0.001 0.000 0.192 390 E C -0.228 176.308 176.600 -0.108 0.000 1.022 390 E CA 0.657 57.138 56.400 0.135 0.000 1.224 390 E CB -0.092 29.739 29.700 0.218 0.000 1.252 390 E HN 0.471 nan 8.360 nan 0.000 0.494 391 W N 1.002 122.290 121.300 -0.022 0.000 2.429 391 W HA 0.562 5.222 4.660 -0.001 0.000 0.314 391 W C -0.779 175.706 176.519 -0.057 0.000 1.062 391 W CA -0.322 56.990 57.345 -0.055 0.000 1.211 391 W CB 1.526 30.992 29.460 0.010 0.000 1.305 391 W HN 0.007 nan 8.180 nan 0.000 0.476 392 A N 3.468 126.462 122.820 0.290 0.000 2.335 392 A HA 0.721 5.040 4.320 -0.001 0.000 0.304 392 A C -0.991 176.693 177.584 0.166 0.000 1.118 392 A CA -0.516 51.598 52.037 0.128 0.000 0.757 392 A CB 1.787 20.781 19.000 -0.010 0.000 1.188 392 A HN 0.301 nan 8.150 nan 0.000 0.460 393 S N 3.942 119.626 115.700 -0.026 0.000 2.545 393 S HA 0.511 4.981 4.470 -0.001 0.000 0.259 393 S C -2.024 172.279 174.600 -0.494 0.000 1.092 393 S CA -0.727 57.412 58.200 -0.101 0.000 1.054 393 S CB 1.421 64.688 63.200 0.113 0.000 1.146 393 S HN 0.485 nan 8.310 nan 0.000 0.447 394 P HA -0.090 nan 4.420 nan 0.000 0.219 394 P C 0.913 177.723 177.300 -0.816 0.000 1.153 394 P CA 1.596 64.119 63.100 -0.961 0.000 0.865 394 P CB -0.136 30.757 31.700 -1.344 0.000 0.788 395 G N -1.766 106.573 108.800 -0.769 0.000 2.702 395 G HA2 0.235 4.194 3.960 -0.001 0.000 0.254 395 G HA3 0.235 4.194 3.960 -0.001 0.000 0.254 395 G C -0.673 173.971 174.900 -0.427 0.000 1.380 395 G CA -0.474 44.073 45.100 -0.921 0.000 1.042 395 G HN 0.115 nan 8.290 nan 0.000 0.557 396 H N 0.829 119.823 119.070 -0.125 0.000 3.125 396 H HA 0.134 4.690 4.556 -0.001 0.000 0.310 396 H C 0.286 175.559 175.328 -0.092 0.000 0.980 396 H CA 0.642 56.688 56.048 -0.004 0.000 1.422 396 H CB 0.382 30.138 29.762 -0.009 0.000 1.432 396 H HN 0.106 nan 8.280 nan 0.000 0.577 397 R N 1.579 122.143 120.500 0.106 0.000 2.621 397 R HA 0.283 4.622 4.340 -0.001 0.000 0.292 397 R C 0.286 176.607 176.300 0.035 0.000 0.969 397 R CA -0.934 55.178 56.100 0.019 0.000 0.887 397 R CB 2.039 32.334 30.300 -0.010 0.000 1.180 397 R HN 0.784 nan 8.270 nan 0.000 0.450 398 G N 1.027 109.818 108.800 -0.016 0.000 2.519 398 G HA2 0.325 4.285 3.960 -0.001 0.000 0.306 398 G HA3 0.325 4.285 3.960 -0.001 0.000 0.306 398 G C -0.459 174.445 174.900 0.008 0.000 0.965 398 G CA -0.036 45.057 45.100 -0.012 0.000 1.291 398 G HN 0.482 nan 8.290 nan 0.000 0.450 399 C N 5.346 124.644 119.300 -0.002 0.000 2.931 399 C HA 0.634 5.093 4.460 -0.001 0.000 0.370 399 C C 0.093 175.086 174.990 0.005 0.000 1.071 399 C CA -0.604 58.339 59.018 -0.125 0.000 1.266 399 C CB 0.427 27.914 27.740 -0.421 0.000 1.691 399 C HN 0.978 nan 8.230 nan 0.000 0.511 400 M N 3.075 122.563 119.600 -0.188 0.000 7.319 400 M HA -0.217 4.263 4.480 -0.001 0.000 0.142 400 M C -0.234 175.944 176.300 -0.204 0.000 0.480 400 M CA 2.061 57.164 55.300 -0.328 0.000 1.311 400 M CB -2.028 30.318 32.600 -0.423 0.000 0.421 400 M HN 1.083 nan 8.290 nan 0.000 0.209 401 I N -2.991 117.437 120.570 -0.237 0.000 3.263 401 I HA 0.885 5.054 4.170 -0.001 0.000 0.314 401 I C 0.339 176.610 176.117 0.257 0.000 1.269 401 I CA -0.199 61.094 61.300 -0.013 0.000 0.942 401 I CB 1.915 39.855 38.000 -0.099 0.000 1.305 401 I HN 1.720 nan 8.210 nan 0.000 0.474 402 G N 2.129 111.127 108.800 0.330 0.000 2.655 402 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.680 402 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.680 402 G C -1.078 174.037 174.900 0.357 0.000 1.302 402 G CA -0.260 45.101 45.100 0.435 0.000 0.872 402 G HN 0.908 nan 8.290 nan 0.000 0.540 403 N N 0.457 119.323 118.700 0.277 0.000 2.598 403 N HA 0.172 4.911 4.740 -0.001 0.000 0.309 403 N C 0.959 176.504 175.510 0.058 0.000 1.645 403 N CA -0.186 52.943 53.050 0.131 0.000 0.936 403 N CB 0.219 38.719 38.487 0.022 0.000 1.323 403 N HN 0.537 nan 8.380 nan 0.000 0.497 404 N N -0.401 118.368 118.700 0.115 0.000 2.550 404 N HA -0.112 4.628 4.740 -0.001 0.000 0.186 404 N C 1.762 177.225 175.510 -0.077 0.000 1.110 404 N CA 0.496 53.522 53.050 -0.039 0.000 0.912 404 N CB 0.233 38.693 38.487 -0.046 0.000 0.968 404 N HN 0.228 nan 8.380 nan 0.000 0.448 405 S N -0.032 115.689 115.700 0.034 0.000 2.380 405 S HA -0.187 4.282 4.470 -0.001 0.000 0.229 405 S C 1.967 176.389 174.600 -0.297 0.000 1.043 405 S CA 1.162 59.263 58.200 -0.165 0.000 1.038 405 S CB -0.848 62.407 63.200 0.093 0.000 0.872 405 S HN 0.084 nan 8.310 nan 0.000 0.456 406 V N 1.760 121.530 119.914 -0.240 0.000 2.343 406 V HA -0.152 3.967 4.120 -0.001 0.000 0.247 406 V C 3.000 178.888 176.094 -0.343 0.000 1.051 406 V CA 1.948 64.050 62.300 -0.330 0.000 1.036 406 V CB -1.263 30.365 31.823 -0.325 0.000 0.654 406 V HN 0.701 nan 8.190 nan 0.000 0.451 407 S N -0.277 115.253 115.700 -0.283 0.000 2.359 407 S HA -0.204 4.265 4.470 -0.001 0.000 0.224 407 S C 1.943 176.454 174.600 -0.149 0.000 1.035 407 S CA 1.796 59.891 58.200 -0.176 0.000 1.018 407 S CB -0.321 62.838 63.200 -0.069 0.000 0.876 407 S HN 0.369 nan 8.310 nan 0.000 0.448 408 L N 1.446 122.511 121.223 -0.262 0.000 1.990 408 L HA -0.093 4.247 4.340 -0.001 0.000 0.213 408 L C 2.457 179.178 176.870 -0.248 0.000 1.072 408 L CA 1.666 56.313 54.840 -0.321 0.000 0.755 408 L CB -0.755 40.898 42.059 -0.677 0.000 0.889 408 L HN 0.364 nan 8.230 nan 0.000 0.432 409 L N -1.818 119.220 121.223 -0.309 0.000 1.994 409 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 409 L C 2.410 179.160 176.870 -0.200 0.000 1.071 409 L CA 1.000 55.673 54.840 -0.279 0.000 0.745 409 L CB -0.602 41.193 42.059 -0.440 0.000 0.892 409 L HN 0.089 nan 8.230 nan 0.000 0.431 410 V N -0.228 119.520 119.914 -0.276 0.000 2.358 410 V HA -0.289 3.831 4.120 -0.001 0.000 0.246 410 V C 2.143 178.242 176.094 0.008 0.000 1.047 410 V CA 2.024 64.231 62.300 -0.156 0.000 1.035 410 V CB -0.487 31.177 31.823 -0.266 0.000 0.658 410 V HN 0.471 nan 8.190 nan 0.000 0.452 411 D N 0.445 120.834 120.400 -0.018 0.000 2.104 411 D HA -0.175 4.465 4.640 -0.001 0.000 0.194 411 D C 2.121 178.424 176.300 0.005 0.000 0.994 411 D CA 1.660 55.668 54.000 0.013 0.000 0.830 411 D CB -0.153 40.667 40.800 0.033 0.000 0.959 411 D HN 0.362 nan 8.370 nan 0.000 0.452 412 A N 0.316 123.147 122.820 0.017 0.000 1.877 412 A HA -0.173 4.147 4.320 -0.001 0.000 0.216 412 A C 2.295 179.916 177.584 0.061 0.000 1.186 412 A CA 1.338 53.390 52.037 0.025 0.000 0.620 412 A CB -1.418 17.599 19.000 0.028 0.000 0.822 412 A HN 0.619 nan 8.150 nan 0.000 0.443 413 W N 0.097 121.370 121.300 -0.045 0.000 2.335 413 W HA -0.183 4.477 4.660 -0.001 0.000 0.311 413 W C 1.558 178.077 176.519 0.000 0.000 1.213 413 W CA 2.074 59.430 57.345 0.019 0.000 1.274 413 W CB -0.249 29.297 29.460 0.143 0.000 1.148 413 W HN 0.264 nan 8.180 nan 0.000 0.498 414 M N 0.457 120.182 119.600 0.208 0.000 2.630 414 M HA -0.081 4.398 4.480 -0.001 0.000 0.254 414 M C 1.175 177.455 176.300 -0.032 0.000 1.092 414 M CA 1.282 56.635 55.300 0.088 0.000 1.087 414 M CB -1.090 31.552 32.600 0.069 0.000 1.453 414 M HN -0.053 nan 8.290 nan 0.000 0.509 415 K N -0.485 119.854 120.400 -0.102 0.000 2.372 415 K HA 0.333 4.652 4.320 -0.001 0.000 0.200 415 K C 0.958 177.497 176.600 -0.103 0.000 1.022 415 K CA 0.367 56.534 56.287 -0.200 0.000 1.125 415 K CB 0.369 32.553 32.500 -0.526 0.000 0.855 415 K HN 0.423 nan 8.250 nan 0.000 0.524 416 G N 1.667 110.374 108.800 -0.154 0.000 2.141 416 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.242 416 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.242 416 G C 0.024 174.797 174.900 -0.211 0.000 0.982 416 G CA -0.341 44.638 45.100 -0.202 0.000 0.662 416 G HN 0.251 nan 8.290 nan 0.000 0.527 417 I N 1.194 121.659 120.570 -0.175 0.000 2.291 417 I HA 0.339 4.509 4.170 -0.001 0.000 0.292 417 I C 0.322 176.322 176.117 -0.195 0.000 1.064 417 I CA 0.085 61.310 61.300 -0.125 0.000 1.269 417 I CB 1.025 39.005 38.000 -0.034 0.000 1.418 417 I HN 0.125 nan 8.210 nan 0.000 0.485 418 Q N 4.608 124.248 119.800 -0.266 0.000 3.090 418 Q HA 0.202 4.542 4.340 -0.001 0.000 0.241 418 Q C 0.343 176.283 176.000 -0.100 0.000 0.958 418 Q CA -0.248 55.314 55.803 -0.402 0.000 0.715 418 Q CB 1.364 29.485 28.738 -1.029 0.000 1.298 418 Q HN 0.763 nan 8.270 nan 0.000 0.468 419 T N -3.519 111.069 114.554 0.055 0.000 3.044 419 T HA 0.228 4.577 4.350 -0.001 0.000 0.260 419 T C 0.659 175.441 174.700 0.137 0.000 1.019 419 T CA -0.024 62.123 62.100 0.078 0.000 0.921 419 T CB 0.211 69.116 68.868 0.062 0.000 1.053 419 T HN 0.294 nan 8.240 nan 0.000 0.533 420 V N -0.849 119.202 119.914 0.228 0.000 2.850 420 V HA 0.634 4.754 4.120 -0.001 0.000 0.315 420 V C -0.591 175.648 176.094 0.241 0.000 1.064 420 V CA -1.356 61.061 62.300 0.195 0.000 0.979 420 V CB 1.376 33.276 31.823 0.127 0.000 1.039 420 V HN 0.181 nan 8.190 nan 0.000 0.452 421 D N 2.178 122.660 120.400 0.137 0.000 2.450 421 D HA 0.425 5.065 4.640 -0.001 0.000 0.247 421 D C 1.176 177.521 176.300 0.076 0.000 1.162 421 D CA 0.774 54.842 54.000 0.113 0.000 0.879 421 D CB 1.656 42.493 40.800 0.060 0.000 1.163 421 D HN 0.922 nan 8.370 nan 0.000 0.472 422 A N 4.500 127.373 122.820 0.089 0.000 1.883 422 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 422 A C 1.980 179.521 177.584 -0.072 0.000 1.186 422 A CA 1.203 53.201 52.037 -0.066 0.000 0.624 422 A CB -0.446 18.499 19.000 -0.092 0.000 0.822 422 A HN 0.714 nan 8.150 nan 0.000 0.444 423 E N -0.316 119.853 120.200 -0.051 0.000 2.077 423 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 423 E C 2.030 178.591 176.600 -0.065 0.000 0.989 423 E CA 1.625 57.989 56.400 -0.060 0.000 0.800 423 E CB -0.279 29.397 29.700 -0.041 0.000 0.746 423 E HN 0.602 nan 8.360 nan 0.000 0.452 424 K N 1.294 121.664 120.400 -0.050 0.000 2.057 424 K HA -0.067 4.253 4.320 -0.001 0.000 0.207 424 K C 1.948 178.446 176.600 -0.170 0.000 1.049 424 K CA 1.511 57.760 56.287 -0.064 0.000 0.931 424 K CB -0.463 32.031 32.500 -0.011 0.000 0.714 424 K HN 0.056 nan 8.250 nan 0.000 0.440 425 A N 0.694 123.410 122.820 -0.173 0.000 1.877 425 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 425 A C 2.155 179.518 177.584 -0.369 0.000 1.186 425 A CA 1.725 53.572 52.037 -0.317 0.000 0.620 425 A CB -0.840 17.936 19.000 -0.372 0.000 0.822 425 A HN 0.384 nan 8.150 nan 0.000 0.443 426 L N 0.159 121.281 121.223 -0.167 0.000 2.046 426 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 426 L C 2.328 179.066 176.870 -0.220 0.000 1.077 426 L CA 2.709 57.466 54.840 -0.139 0.000 0.747 426 L CB -0.646 41.398 42.059 -0.025 0.000 0.896 426 L HN 0.626 nan 8.230 nan 0.000 0.432 427 E N -0.465 119.620 120.200 -0.192 0.000 2.058 427 E HA -0.287 4.062 4.350 -0.001 0.000 0.194 427 E C 2.054 178.480 176.600 -0.289 0.000 0.997 427 E CA 1.395 57.691 56.400 -0.174 0.000 0.801 427 E CB -0.213 29.425 29.700 -0.104 0.000 0.746 427 E HN 0.616 nan 8.360 nan 0.000 0.450 428 A N 0.833 123.316 122.820 -0.563 0.000 1.902 428 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 428 A C 2.222 179.516 177.584 -0.483 0.000 1.181 428 A CA 1.862 53.332 52.037 -0.946 0.000 0.623 428 A CB -0.520 17.701 19.000 -1.297 0.000 0.818 428 A HN 0.319 nan 8.150 nan 0.000 0.443 429 M N -0.708 118.638 119.600 -0.424 0.000 2.086 429 M HA -0.081 4.399 4.480 -0.001 0.000 0.261 429 M C 2.124 178.257 176.300 -0.278 0.000 1.067 429 M CA 1.606 56.686 55.300 -0.366 0.000 1.116 429 M CB -0.525 31.798 32.600 -0.463 0.000 1.348 429 M HN 0.376 nan 8.290 nan 0.000 0.407 430 I N -0.889 119.530 120.570 -0.251 0.000 2.179 430 I HA -0.314 3.855 4.170 -0.001 0.000 0.242 430 I C 2.553 178.605 176.117 -0.108 0.000 1.088 430 I CA 1.628 62.840 61.300 -0.148 0.000 1.357 430 I CB -0.708 37.234 38.000 -0.097 0.000 1.051 430 I HN 0.352 nan 8.210 nan 0.000 0.409 431 H N 0.937 119.891 119.070 -0.193 0.000 2.352 431 H HA -0.262 4.293 4.556 -0.001 0.000 0.299 431 H C 2.194 177.410 175.328 -0.187 0.000 1.097 431 H CA 1.970 57.902 56.048 -0.194 0.000 1.311 431 H CB -0.020 29.645 29.762 -0.162 0.000 1.377 431 H HN 0.194 nan 8.280 nan 0.000 0.504 432 Q N -0.119 119.593 119.800 -0.146 0.000 2.234 432 Q HA -0.107 4.233 4.340 -0.001 0.000 0.206 432 Q C 2.052 177.928 176.000 -0.208 0.000 0.980 432 Q CA 1.929 57.676 55.803 -0.093 0.000 0.869 432 Q CB -0.159 28.550 28.738 -0.047 0.000 0.912 432 Q HN 0.677 nan 8.270 nan 0.000 0.436 433 T N -3.522 110.880 114.554 -0.253 0.000 3.060 433 T HA 0.123 4.472 4.350 -0.001 0.000 0.249 433 T C 1.029 175.485 174.700 -0.406 0.000 1.079 433 T CA -0.105 61.826 62.100 -0.283 0.000 1.013 433 T CB 0.277 69.079 68.868 -0.109 0.000 0.975 433 T HN 0.078 nan 8.240 nan 0.000 0.518 434 Q N 0.533 119.989 119.800 -0.573 0.000 2.159 434 Q HA 0.650 4.989 4.340 -0.001 0.000 0.217 434 Q C 0.127 175.248 176.000 -1.465 0.000 0.818 434 Q CA -0.028 55.271 55.803 -0.840 0.000 1.008 434 Q CB 1.436 29.945 28.738 -0.381 0.000 1.148 434 Q HN 0.704 nan 8.270 nan 0.000 0.491 435 A N 0.372 122.409 122.820 -1.305 0.000 2.581 435 A HA 0.826 5.145 4.320 -0.001 0.000 0.290 435 A C -1.334 176.107 177.584 -0.238 0.000 1.119 435 A CA -0.651 50.882 52.037 -0.840 0.000 0.670 435 A CB 1.923 20.545 19.000 -0.629 0.000 1.280 435 A HN 0.060 nan 8.150 nan 0.000 0.425 436 R N 0.406 120.985 120.500 0.132 0.000 2.626 436 R HA 0.293 4.633 4.340 -0.001 0.000 0.274 436 R C -1.234 175.036 176.300 -0.049 0.000 1.031 436 R CA -0.638 55.489 56.100 0.046 0.000 0.898 436 R CB 1.349 31.726 30.300 0.127 0.000 1.222 436 R HN 1.044 nan 8.270 nan 0.000 0.455 437 H N 1.970 120.655 119.070 -0.642 0.000 3.038 437 H HA -0.017 4.539 4.556 -0.001 0.000 0.338 437 H C 0.615 175.852 175.328 -0.152 0.000 1.041 437 H CA 1.447 57.196 56.048 -0.498 0.000 1.394 437 H CB 1.534 30.908 29.762 -0.646 0.000 1.357 437 H HN 0.779 nan 8.280 nan 0.000 0.600 438 A N 4.864 127.559 122.820 -0.207 0.000 1.972 438 A HA -0.139 4.180 4.320 -0.001 0.000 0.219 438 A C 1.866 179.499 177.584 0.083 0.000 1.169 438 A CA 1.573 53.587 52.037 -0.038 0.000 0.635 438 A CB 0.071 19.023 19.000 -0.080 0.000 0.810 438 A HN 0.826 nan 8.150 nan 0.000 0.446 439 E N -0.984 119.386 120.200 0.283 0.000 2.364 439 E HA 0.218 4.567 4.350 -0.001 0.000 0.203 439 E C 0.010 176.658 176.600 0.079 0.000 0.888 439 E CA 0.083 56.588 56.400 0.176 0.000 0.989 439 E CB 0.124 29.934 29.700 0.184 0.000 0.985 439 E HN 0.593 nan 8.360 nan 0.000 0.499 440 I N 2.054 122.639 120.570 0.026 0.000 2.306 440 I HA 0.229 4.399 4.170 -0.001 0.000 0.288 440 I C 1.157 177.202 176.117 -0.119 0.000 1.036 440 I CA -0.445 60.752 61.300 -0.171 0.000 1.221 440 I CB 1.618 39.341 38.000 -0.462 0.000 1.385 440 I HN -0.079 nan 8.210 nan 0.000 0.472 441 A N 4.248 127.035 122.820 -0.056 0.000 1.972 441 A HA -0.161 4.158 4.320 -0.001 0.000 0.219 441 A C 2.241 179.806 177.584 -0.031 0.000 1.169 441 A CA 2.023 54.044 52.037 -0.026 0.000 0.635 441 A CB -0.406 18.593 19.000 -0.003 0.000 0.810 441 A HN 0.770 nan 8.150 nan 0.000 0.446 442 S N -1.071 114.602 115.700 -0.045 0.000 2.562 442 S HA 0.185 4.655 4.470 -0.001 0.000 0.221 442 S C 0.306 174.881 174.600 -0.041 0.000 0.975 442 S CA 0.286 58.483 58.200 -0.005 0.000 0.918 442 S CB -0.373 62.847 63.200 0.033 0.000 0.772 442 S HN 0.129 nan 8.310 nan 0.000 0.531 443 V N 2.525 122.330 119.914 -0.182 0.000 2.318 443 V HA 0.695 4.814 4.120 -0.001 0.000 0.271 443 V C 1.014 176.847 176.094 -0.436 0.000 1.030 443 V CA 0.293 62.389 62.300 -0.340 0.000 0.844 443 V CB -0.342 31.083 31.823 -0.663 0.000 1.015 443 V HN 0.745 nan 8.190 nan 0.000 0.460 444 G N 4.996 113.703 108.800 -0.156 0.000 2.484 444 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.225 444 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.225 444 G C -0.245 174.617 174.900 -0.063 0.000 1.250 444 G CA -0.018 45.072 45.100 -0.016 0.000 0.926 444 G HN 0.851 nan 8.290 nan 0.000 0.581 445 R N 0.690 121.126 120.500 -0.106 0.000 2.352 445 R HA 0.441 4.780 4.340 -0.001 0.000 0.304 445 R C -0.806 175.508 176.300 0.025 0.000 1.104 445 R CA -0.519 55.457 56.100 -0.207 0.000 0.991 445 R CB 0.475 30.473 30.300 -0.504 0.000 1.140 445 R HN 0.565 nan 8.270 nan 0.000 0.540 446 D N 2.794 123.267 120.400 0.123 0.000 2.487 446 D HA 0.092 4.732 4.640 -0.001 0.000 0.243 446 D C 0.976 177.409 176.300 0.221 0.000 1.154 446 D CA 2.063 56.165 54.000 0.171 0.000 0.876 446 D CB 0.743 41.635 40.800 0.153 0.000 1.161 446 D HN 0.808 nan 8.370 nan 0.000 0.478 447 G N 3.592 112.478 108.800 0.143 0.000 2.147 447 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.244 447 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.244 447 G C 0.855 175.815 174.900 0.100 0.000 1.005 447 G CA 0.476 45.659 45.100 0.140 0.000 0.713 447 G HN 0.607 nan 8.290 nan 0.000 0.515 448 F N 0.523 120.470 119.950 -0.005 0.000 2.161 448 F HA 0.067 4.594 4.527 -0.001 0.000 0.300 448 F C 1.986 177.803 175.800 0.028 0.000 1.089 448 F CA 1.765 59.736 58.000 -0.048 0.000 1.282 448 F CB -0.530 38.380 39.000 -0.150 0.000 1.010 448 F HN 0.295 nan 8.300 nan 0.000 0.485 449 E N 0.294 119.991 120.200 -0.840 0.000 2.031 449 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 449 E C 1.963 178.397 176.600 -0.276 0.000 0.994 449 E CA 1.952 57.992 56.400 -0.600 0.000 0.800 449 E CB -0.919 28.300 29.700 -0.803 0.000 0.752 449 E HN 0.503 nan 8.360 nan 0.000 0.447 450 Y N -0.581 119.598 120.300 -0.202 0.000 2.165 450 Y HA -0.248 4.301 4.550 -0.001 0.000 0.286 450 Y C 2.292 178.103 175.900 -0.149 0.000 1.155 450 Y CA 1.458 59.450 58.100 -0.180 0.000 1.164 450 Y CB -0.711 37.646 38.460 -0.171 0.000 0.978 450 Y HN 0.197 nan 8.280 nan 0.000 0.513 451 Y N 0.690 121.004 120.300 0.022 0.000 2.263 451 Y HA -0.182 4.367 4.550 -0.001 0.000 0.292 451 Y C 1.882 177.778 175.900 -0.006 0.000 1.130 451 Y CA 1.641 59.756 58.100 0.026 0.000 1.179 451 Y CB -0.211 38.342 38.460 0.154 0.000 0.998 451 Y HN 0.019 nan 8.280 nan 0.000 0.532 452 D N -0.489 119.995 120.400 0.140 0.000 2.183 452 D HA -0.133 4.506 4.640 -0.001 0.000 0.203 452 D C 2.182 178.436 176.300 -0.077 0.000 0.969 452 D CA 1.032 55.049 54.000 0.027 0.000 0.842 452 D CB -0.069 40.789 40.800 0.095 0.000 0.957 452 D HN 0.196 nan 8.370 nan 0.000 0.484 453 K N -0.075 120.272 120.400 -0.088 0.000 2.099 453 K HA 0.137 4.457 4.320 -0.001 0.000 0.203 453 K C 2.188 178.703 176.600 -0.141 0.000 1.047 453 K CA 0.232 56.457 56.287 -0.103 0.000 0.963 453 K CB -0.353 32.086 32.500 -0.102 0.000 0.759 453 K HN 0.171 nan 8.250 nan 0.000 0.451 454 L N -1.318 119.774 121.223 -0.218 0.000 2.354 454 L HA 0.347 4.687 4.340 -0.001 0.000 0.212 454 L C 1.803 178.508 176.870 -0.275 0.000 1.091 454 L CA 0.762 55.404 54.840 -0.329 0.000 0.828 454 L CB 0.209 41.846 42.059 -0.703 0.000 0.973 454 L HN 0.639 nan 8.230 nan 0.000 0.461 455 G N -0.083 108.527 108.800 -0.317 0.000 2.176 455 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.232 455 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.232 455 G C 0.026 174.837 174.900 -0.147 0.000 0.986 455 G CA 0.199 45.148 45.100 -0.252 0.000 0.643 455 G HN 0.457 nan 8.290 nan 0.000 0.522 456 Y N -2.870 117.309 120.300 -0.202 0.000 2.677 456 Y HA 0.648 5.198 4.550 -0.001 0.000 0.334 456 Y C -0.487 175.477 175.900 0.107 0.000 1.196 456 Y CA -1.585 56.506 58.100 -0.015 0.000 1.059 456 Y CB 0.761 39.192 38.460 -0.047 0.000 1.315 456 Y HN 0.413 nan 8.280 nan 0.000 0.455 457 V N 3.630 123.722 119.914 0.298 0.000 2.465 457 V HA 0.499 4.618 4.120 -0.001 0.000 0.279 457 V C -2.217 173.950 176.094 0.120 0.000 1.045 457 V CA -1.675 60.717 62.300 0.154 0.000 0.938 457 V CB 1.127 33.066 31.823 0.193 0.000 0.986 457 V HN 0.633 nan 8.190 nan 0.000 0.467 458 P HA 0.321 nan 4.420 nan 0.000 0.290 458 P C -1.655 175.574 177.300 -0.118 0.000 1.275 458 P CA -0.600 62.446 63.100 -0.090 0.000 0.841 458 P CB 1.175 32.631 31.700 -0.408 0.000 1.042 459 Y N 4.677 124.852 120.300 -0.208 0.000 2.332 459 Y HA 0.423 4.973 4.550 -0.001 0.000 0.326 459 Y C -2.240 173.544 175.900 -0.193 0.000 0.978 459 Y CA -2.179 55.788 58.100 -0.221 0.000 1.205 459 Y CB 2.284 40.580 38.460 -0.273 0.000 1.131 459 Y HN 0.221 nan 8.280 nan 0.000 0.462 460 P HA 0.204 nan 4.420 nan 0.000 0.312 460 P C 0.110 177.037 177.300 -0.621 0.000 1.397 460 P CA 0.119 62.437 63.100 -1.304 0.000 1.197 460 P CB 1.084 32.221 31.700 -0.938 0.000 1.605 461 E N 0.140 120.107 120.200 -0.388 0.000 2.118 461 E HA -0.045 4.305 4.350 -0.001 0.000 0.195 461 E C 0.626 177.139 176.600 -0.145 0.000 0.992 461 E CA 1.188 57.441 56.400 -0.245 0.000 0.804 461 E CB -0.227 29.268 29.700 -0.342 0.000 0.741 461 E HN 0.099 nan 8.360 nan 0.000 0.458 462 V N 1.602 121.437 119.914 -0.131 0.000 2.531 462 V HA 0.288 4.407 4.120 -0.001 0.000 0.301 462 V C -2.537 173.593 176.094 0.059 0.000 1.034 462 V CA -2.401 59.890 62.300 -0.015 0.000 0.865 462 V CB 1.857 33.698 31.823 0.030 0.000 0.995 462 V HN -0.085 nan 8.190 nan 0.000 0.424 463 P HA 0.171 nan 4.420 nan 0.000 0.268 463 P C 0.174 177.481 177.300 0.011 0.000 1.204 463 P CA 0.290 63.460 63.100 0.117 0.000 0.768 463 P CB 0.201 31.930 31.700 0.047 0.000 0.842 464 E N 0.726 120.872 120.200 -0.089 0.000 2.637 464 E HA -0.302 4.048 4.350 -0.001 0.000 0.265 464 E C 1.031 177.444 176.600 -0.311 0.000 1.073 464 E CA 0.393 56.628 56.400 -0.274 0.000 0.778 464 E CB -1.644 27.919 29.700 -0.228 0.000 1.362 464 E HN 0.550 nan 8.360 nan 0.000 0.413 465 A N -0.187 122.500 122.820 -0.223 0.000 1.940 465 A HA -0.236 4.083 4.320 -0.001 0.000 0.219 465 A C 2.260 179.694 177.584 -0.250 0.000 1.176 465 A CA 2.146 54.087 52.037 -0.161 0.000 0.631 465 A CB -0.352 18.624 19.000 -0.040 0.000 0.814 465 A HN 0.353 nan 8.150 nan 0.000 0.446 466 T N -0.091 114.206 114.554 -0.429 0.000 2.812 466 T HA 0.107 4.457 4.350 -0.001 0.000 0.264 466 T C 2.256 176.720 174.700 -0.394 0.000 1.042 466 T CA 1.291 63.150 62.100 -0.402 0.000 1.140 466 T CB -0.386 68.091 68.868 -0.651 0.000 0.870 466 T HN 0.584 nan 8.240 nan 0.000 0.445 467 A N 1.859 124.274 122.820 -0.674 0.000 1.902 467 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 467 A C 2.244 179.526 177.584 -0.504 0.000 1.181 467 A CA 1.586 53.050 52.037 -0.955 0.000 0.623 467 A CB -0.443 17.575 19.000 -1.637 0.000 0.818 467 A HN 0.437 nan 8.150 nan 0.000 0.443 468 K N -0.900 119.205 120.400 -0.491 0.000 2.009 468 K HA -0.124 4.195 4.320 -0.001 0.000 0.210 468 K C 2.165 178.248 176.600 -0.861 0.000 1.049 468 K CA 1.889 57.749 56.287 -0.712 0.000 0.929 468 K CB -0.526 31.598 32.500 -0.628 0.000 0.714 468 K HN 0.470 nan 8.250 nan 0.000 0.440 469 T N 2.012 116.346 114.554 -0.366 0.000 2.665 469 T HA -0.166 4.184 4.350 -0.001 0.000 0.268 469 T C 1.853 176.628 174.700 0.125 0.000 1.035 469 T CA 1.373 63.487 62.100 0.023 0.000 1.151 469 T CB -0.283 68.695 68.868 0.184 0.000 0.862 469 T HN 0.112 nan 8.240 nan 0.000 0.438 470 L N 0.689 121.974 121.223 0.104 0.000 2.046 470 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 470 L C 2.909 179.923 176.870 0.240 0.000 1.077 470 L CA 1.261 56.243 54.840 0.236 0.000 0.747 470 L CB -0.562 41.687 42.059 0.316 0.000 0.896 470 L HN 0.239 nan 8.230 nan 0.000 0.432 471 E N -0.386 119.927 120.200 0.188 0.000 2.077 471 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 471 E C 2.231 179.011 176.600 0.300 0.000 0.989 471 E CA 1.293 57.861 56.400 0.280 0.000 0.800 471 E CB -0.241 29.636 29.700 0.295 0.000 0.746 471 E HN 0.493 nan 8.360 nan 0.000 0.452 472 Y N 0.836 121.204 120.300 0.114 0.000 2.224 472 Y HA -0.075 4.475 4.550 -0.001 0.000 0.289 472 Y C 2.481 178.433 175.900 0.086 0.000 1.146 472 Y CA 0.357 58.433 58.100 -0.040 0.000 1.182 472 Y CB -1.268 36.922 38.460 -0.449 0.000 0.983 472 Y HN 0.008 nan 8.280 nan 0.000 0.524 473 A N -0.446 122.606 122.820 0.387 0.000 1.902 473 A HA -0.254 4.065 4.320 -0.001 0.000 0.217 473 A C 2.173 179.841 177.584 0.140 0.000 1.181 473 A CA 1.669 53.934 52.037 0.379 0.000 0.623 473 A CB -1.395 17.902 19.000 0.495 0.000 0.818 473 A HN 0.526 nan 8.150 nan 0.000 0.443 474 Y N 0.673 120.946 120.300 -0.045 0.000 2.200 474 Y HA -0.026 4.523 4.550 -0.001 0.000 0.290 474 Y C 2.528 178.427 175.900 -0.001 0.000 1.137 474 Y CA 1.116 59.064 58.100 -0.253 0.000 1.163 474 Y CB -0.582 37.846 38.460 -0.053 0.000 0.988 474 Y HN 0.285 nan 8.280 nan 0.000 0.518 475 A N 0.196 122.924 122.820 -0.153 0.000 1.933 475 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 475 A C 1.914 179.388 177.584 -0.184 0.000 1.175 475 A CA 1.965 53.849 52.037 -0.255 0.000 0.628 475 A CB -0.766 18.196 19.000 -0.064 0.000 0.814 475 A HN 0.551 nan 8.150 nan 0.000 0.444 476 D N -1.590 118.808 120.400 -0.003 0.000 2.123 476 D HA -0.145 4.494 4.640 -0.001 0.000 0.200 476 D C 1.564 177.870 176.300 0.010 0.000 0.976 476 D CA 1.105 55.186 54.000 0.135 0.000 0.831 476 D CB -0.450 40.514 40.800 0.273 0.000 0.974 476 D HN 0.748 nan 8.370 nan 0.000 0.469 477 W N 1.409 122.569 121.300 -0.233 0.000 2.338 477 W HA -0.289 4.371 4.660 -0.001 0.000 0.304 477 W C 2.274 178.607 176.519 -0.311 0.000 1.212 477 W CA 1.315 58.500 57.345 -0.266 0.000 1.264 477 W CB -0.480 28.793 29.460 -0.313 0.000 1.142 477 W HN -0.040 nan 8.180 nan 0.000 0.512 478 C N 0.327 119.404 119.300 -0.372 0.000 2.432 478 C HA -0.206 4.253 4.460 -0.001 0.000 0.277 478 C C 2.721 177.373 174.990 -0.563 0.000 1.249 478 C CA 1.338 60.007 59.018 -0.581 0.000 1.725 478 C CB -1.489 25.956 27.740 -0.491 0.000 2.028 478 C HN 0.382 nan 8.230 nan 0.000 0.477 479 I N 1.278 121.548 120.570 -0.501 0.000 2.286 479 I HA -0.213 3.957 4.170 -0.001 0.000 0.248 479 I C 2.725 178.516 176.117 -0.543 0.000 1.115 479 I CA 1.512 62.482 61.300 -0.551 0.000 1.392 479 I CB -0.539 36.983 38.000 -0.796 0.000 1.065 479 I HN 0.298 nan 8.210 nan 0.000 0.418 480 A N 0.847 123.299 122.820 -0.614 0.000 1.877 480 A HA -0.178 4.142 4.320 -0.001 0.000 0.216 480 A C 2.405 179.564 177.584 -0.708 0.000 1.186 480 A CA 1.227 52.797 52.037 -0.778 0.000 0.620 480 A CB -0.442 17.725 19.000 -1.390 0.000 0.822 480 A HN 0.241 nan 8.150 nan 0.000 0.443 481 R N -1.625 118.428 120.500 -0.746 0.000 2.083 481 R HA -0.155 4.185 4.340 -0.001 0.000 0.237 481 R C 1.969 178.102 176.300 -0.279 0.000 1.137 481 R CA 1.625 57.428 56.100 -0.494 0.000 0.951 481 R CB -1.024 28.829 30.300 -0.745 0.000 0.851 481 R HN 0.616 nan 8.270 nan 0.000 0.434 482 F N 1.359 121.034 119.950 -0.459 0.000 2.075 482 F HA -0.157 4.370 4.527 -0.001 0.000 0.297 482 F C 2.401 177.982 175.800 -0.366 0.000 1.113 482 F CA 1.416 59.161 58.000 -0.425 0.000 1.218 482 F CB -0.594 38.095 39.000 -0.519 0.000 0.984 482 F HN 0.034 nan 8.300 nan 0.000 0.472 483 A N -0.111 122.511 122.820 -0.330 0.000 1.883 483 A HA -0.288 4.031 4.320 -0.001 0.000 0.217 483 A C 2.248 179.674 177.584 -0.264 0.000 1.186 483 A CA 1.978 53.813 52.037 -0.335 0.000 0.624 483 A CB -1.188 17.666 19.000 -0.243 0.000 0.822 483 A HN 0.599 nan 8.150 nan 0.000 0.444 484 E N 0.321 120.407 120.200 -0.188 0.000 2.058 484 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 484 E C 2.136 178.682 176.600 -0.091 0.000 0.997 484 E CA 1.802 58.159 56.400 -0.073 0.000 0.801 484 E CB -0.179 29.548 29.700 0.045 0.000 0.746 484 E HN 0.729 nan 8.360 nan 0.000 0.450 485 S N 0.076 115.694 115.700 -0.137 0.000 2.447 485 S HA -0.071 4.398 4.470 -0.001 0.000 0.233 485 S C 1.848 176.375 174.600 -0.123 0.000 1.006 485 S CA 0.618 58.766 58.200 -0.087 0.000 0.957 485 S CB -0.252 62.936 63.200 -0.019 0.000 0.773 485 S HN 0.339 nan 8.310 nan 0.000 0.507 486 L N 0.727 121.795 121.223 -0.257 0.000 2.591 486 L HA 0.326 4.666 4.340 -0.001 0.000 0.228 486 L C 1.855 178.638 176.870 -0.144 0.000 1.133 486 L CA 0.368 55.062 54.840 -0.243 0.000 0.880 486 L CB -0.534 41.262 42.059 -0.437 0.000 1.033 486 L HN 0.599 nan 8.230 nan 0.000 0.450 487 G N 0.672 109.407 108.800 -0.108 0.000 2.141 487 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.242 487 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.242 487 G C 0.264 175.128 174.900 -0.060 0.000 0.982 487 G CA -0.150 44.913 45.100 -0.062 0.000 0.662 487 G HN 0.379 nan 8.290 nan 0.000 0.527 488 K N 0.304 120.650 120.400 -0.090 0.000 2.265 488 K HA 0.373 4.692 4.320 -0.001 0.000 0.242 488 K C 1.240 177.818 176.600 -0.037 0.000 1.137 488 K CA -0.361 55.884 56.287 -0.070 0.000 1.082 488 K CB 0.913 33.351 32.500 -0.104 0.000 1.731 488 K HN 0.200 nan 8.250 nan 0.000 0.392 489 Q N 1.346 121.144 119.800 -0.004 0.000 2.172 489 Q HA -0.184 4.155 4.340 -0.001 0.000 0.200 489 Q C 1.333 177.366 176.000 0.055 0.000 0.964 489 Q CA 1.789 57.612 55.803 0.035 0.000 0.855 489 Q CB 0.075 28.839 28.738 0.043 0.000 0.918 489 Q HN 0.563 nan 8.270 nan 0.000 0.444 490 D N -0.557 119.865 120.400 0.037 0.000 2.097 490 D HA -0.132 4.507 4.640 -0.001 0.000 0.197 490 D C 1.674 178.010 176.300 0.059 0.000 0.984 490 D CA 1.351 55.379 54.000 0.046 0.000 0.826 490 D CB -0.140 40.677 40.800 0.029 0.000 0.973 490 D HN 0.399 nan 8.370 nan 0.000 0.460 491 I N 0.510 121.105 120.570 0.043 0.000 2.226 491 I HA -0.238 3.931 4.170 -0.001 0.000 0.245 491 I C 2.501 178.675 176.117 0.096 0.000 1.100 491 I CA 1.062 62.405 61.300 0.072 0.000 1.374 491 I CB -0.378 37.628 38.000 0.011 0.000 1.057 491 I HN 0.082 nan 8.210 nan 0.000 0.413 492 A N 0.438 123.271 122.820 0.022 0.000 1.940 492 A HA -0.249 4.071 4.320 -0.001 0.000 0.219 492 A C 1.901 179.546 177.584 0.103 0.000 1.176 492 A CA 2.170 54.189 52.037 -0.030 0.000 0.631 492 A CB -0.543 18.466 19.000 0.015 0.000 0.814 492 A HN 0.346 nan 8.150 nan 0.000 0.446 493 D N -0.707 119.807 120.400 0.190 0.000 2.149 493 D HA -0.086 4.553 4.640 -0.001 0.000 0.201 493 D C 2.182 178.590 176.300 0.180 0.000 0.972 493 D CA 1.169 55.321 54.000 0.253 0.000 0.835 493 D CB -0.390 40.516 40.800 0.176 0.000 0.966 493 D HN 0.597 nan 8.370 nan 0.000 0.476 494 Q N -0.688 119.179 119.800 0.113 0.000 2.061 494 Q HA -0.181 4.158 4.340 -0.001 0.000 0.204 494 Q C 1.831 177.787 176.000 -0.072 0.000 0.984 494 Q CA 1.332 57.144 55.803 0.015 0.000 0.846 494 Q CB -0.157 28.578 28.738 -0.006 0.000 0.902 494 Q HN 0.451 nan 8.270 nan 0.000 0.421 495 Y N -1.979 118.294 120.300 -0.046 0.000 2.337 495 Y HA -0.157 4.393 4.550 -0.001 0.000 0.293 495 Y C 1.715 177.571 175.900 -0.073 0.000 1.123 495 Y CA 0.641 58.684 58.100 -0.095 0.000 1.201 495 Y CB 0.102 38.437 38.460 -0.208 0.000 1.011 495 Y HN 0.145 nan 8.280 nan 0.000 0.545 496 Y N 0.120 120.497 120.300 0.128 0.000 2.333 496 Y HA -0.277 4.272 4.550 -0.001 0.000 0.290 496 Y C 2.691 178.634 175.900 0.072 0.000 1.144 496 Y CA 1.542 59.691 58.100 0.080 0.000 1.228 496 Y CB -1.115 37.468 38.460 0.204 0.000 0.985 496 Y HN 0.312 nan 8.280 nan 0.000 0.542 497 Q N 0.699 120.631 119.800 0.220 0.000 2.291 497 Q HA -0.129 4.211 4.340 -0.001 0.000 0.205 497 Q C 1.860 177.910 176.000 0.083 0.000 0.970 497 Q CA 1.770 57.658 55.803 0.141 0.000 0.876 497 Q CB -0.702 28.081 28.738 0.076 0.000 0.935 497 Q HN 0.587 nan 8.270 nan 0.000 0.455 498 K N -0.433 120.007 120.400 0.066 0.000 2.356 498 K HA 0.372 4.691 4.320 -0.001 0.000 0.195 498 K C 2.453 179.158 176.600 0.174 0.000 1.037 498 K CA 0.513 56.849 56.287 0.081 0.000 1.014 498 K CB 0.254 32.807 32.500 0.089 0.000 0.815 498 K HN 0.401 nan 8.250 nan 0.000 0.507 499 A N 2.628 125.548 122.820 0.167 0.000 1.948 499 A HA -0.101 4.219 4.320 -0.001 0.000 0.220 499 A C -0.776 177.061 177.584 0.420 0.000 1.177 499 A CA 1.243 53.431 52.037 0.252 0.000 0.636 499 A CB -1.110 17.936 19.000 0.076 0.000 0.815 499 A HN 0.161 nan 8.150 nan 0.000 0.449 500 P HA 0.105 nan 4.420 nan 0.000 0.258 500 P C 0.188 177.373 177.300 -0.193 0.000 1.416 500 P CA -0.113 63.011 63.100 0.040 0.000 0.927 500 P CB -0.030 31.695 31.700 0.042 0.000 1.444 501 N N 0.368 119.106 118.700 0.064 0.000 2.430 501 N HA -0.184 4.555 4.740 -0.001 0.000 0.186 501 N C 1.556 177.111 175.510 0.075 0.000 1.032 501 N CA 0.994 54.071 53.050 0.044 0.000 0.893 501 N CB -0.883 37.657 38.487 0.088 0.000 0.957 501 N HN 0.439 nan 8.380 nan 0.000 0.442 502 Y N 0.246 120.662 120.300 0.194 0.000 2.315 502 Y HA -0.062 4.488 4.550 -0.001 0.000 0.288 502 Y C 1.981 177.976 175.900 0.157 0.000 1.154 502 Y CA 0.886 59.092 58.100 0.176 0.000 1.229 502 Y CB -0.662 37.884 38.460 0.144 0.000 0.980 502 Y HN -0.089 nan 8.280 nan 0.000 0.540 503 R N 0.584 120.805 120.500 -0.465 0.000 2.148 503 R HA -0.099 4.241 4.340 -0.001 0.000 0.227 503 R C 1.423 177.735 176.300 0.020 0.000 1.103 503 R CA 1.110 57.071 56.100 -0.231 0.000 0.983 503 R CB -0.349 29.741 30.300 -0.351 0.000 0.874 503 R HN 0.421 nan 8.270 nan 0.000 0.451 504 N N 0.520 119.219 118.700 -0.001 0.000 2.520 504 N HA -0.073 4.667 4.740 -0.001 0.000 0.185 504 N C 1.027 176.506 175.510 -0.051 0.000 1.068 504 N CA 0.943 53.984 53.050 -0.015 0.000 0.911 504 N CB 0.251 38.747 38.487 0.015 0.000 0.961 504 N HN 0.269 nan 8.380 nan 0.000 0.446 505 L N -0.855 120.441 121.223 0.122 0.000 2.906 505 L HA 0.214 4.553 4.340 -0.001 0.000 0.255 505 L C -0.245 176.920 176.870 0.491 0.000 1.166 505 L CA -0.397 54.575 54.840 0.220 0.000 0.977 505 L CB 0.111 42.256 42.059 0.143 0.000 1.313 505 L HN -0.005 nan 8.230 nan 0.000 0.549 506 Y N 0.542 121.037 120.300 0.325 0.000 2.436 506 Y HA 0.099 4.648 4.550 -0.001 0.000 0.336 506 Y C -0.421 175.667 175.900 0.314 0.000 1.049 506 Y CA -0.253 58.015 58.100 0.281 0.000 1.294 506 Y CB 0.329 38.888 38.460 0.164 0.000 1.179 506 Y HN -0.035 nan 8.280 nan 0.000 0.520 507 Y N 10.512 130.486 120.300 -0.543 0.000 2.594 507 Y HA 0.315 4.864 4.550 -0.001 0.000 0.342 507 Y C -1.835 173.564 175.900 -0.836 0.000 1.010 507 Y CA -3.729 53.855 58.100 -0.861 0.000 1.270 507 Y CB 0.732 38.569 38.460 -1.038 0.000 1.125 507 Y HN 0.555 nan 8.280 nan 0.000 0.513 508 P HA -0.156 nan 4.420 nan 0.000 0.216 508 P C 1.051 178.154 177.300 -0.329 0.000 1.150 508 P CA 1.469 64.486 63.100 -0.138 0.000 0.837 508 P CB 0.621 32.368 31.700 0.077 0.000 0.786 509 E N -1.230 118.665 120.200 -0.509 0.000 2.085 509 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 509 E C 1.987 178.046 176.600 -0.903 0.000 0.994 509 E CA 1.317 57.267 56.400 -0.748 0.000 0.801 509 E CB -0.823 28.221 29.700 -1.094 0.000 0.743 509 E HN 0.489 nan 8.360 nan 0.000 0.453 510 H N -1.935 116.597 119.070 -0.897 0.000 2.582 510 H HA 0.271 4.826 4.556 -0.001 0.000 0.269 510 H C 1.231 176.230 175.328 -0.548 0.000 0.962 510 H CA 0.885 56.407 56.048 -0.877 0.000 1.230 510 H CB 0.763 29.447 29.762 -1.797 0.000 1.445 510 H HN 0.309 nan 8.280 nan 0.000 0.528 511 G N 0.564 109.032 108.800 -0.553 0.000 2.147 511 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.244 511 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.244 511 G C -0.313 174.106 174.900 -0.802 0.000 1.005 511 G CA 0.189 44.952 45.100 -0.561 0.000 0.713 511 G HN 0.265 nan 8.290 nan 0.000 0.515 512 F N -1.255 118.376 119.950 -0.531 0.000 2.650 512 F HA 0.768 5.295 4.527 -0.001 0.000 0.320 512 F C 0.528 176.278 175.800 -0.082 0.000 1.091 512 F CA -1.456 56.436 58.000 -0.181 0.000 0.962 512 F CB 1.048 40.118 39.000 0.117 0.000 1.363 512 F HN -0.098 nan 8.300 nan 0.000 0.482 513 M N 1.431 121.297 119.600 0.442 0.000 2.240 513 M HA 0.079 4.558 4.480 -0.001 0.000 0.333 513 M C -0.288 176.524 176.300 0.853 0.000 1.110 513 M CA 0.344 55.977 55.300 0.555 0.000 1.173 513 M CB 0.614 33.555 32.600 0.568 0.000 1.458 513 M HN 0.792 nan 8.290 nan 0.000 0.458 514 W N -0.154 121.417 121.300 0.452 0.000 3.265 514 W HA 0.402 5.062 4.660 -0.001 0.000 0.413 514 W C -1.276 175.386 176.519 0.239 0.000 1.047 514 W CA -0.428 57.191 57.345 0.456 0.000 1.210 514 W CB 1.603 31.335 29.460 0.453 0.000 1.476 514 W HN 0.497 nan 8.180 nan 0.000 0.624 515 T N 1.604 115.974 114.554 -0.306 0.000 2.896 515 T HA 0.558 4.908 4.350 -0.001 0.000 0.297 515 T C -1.485 173.064 174.700 -0.251 0.000 1.108 515 T CA -0.431 61.436 62.100 -0.389 0.000 1.004 515 T CB 1.968 70.447 68.868 -0.648 0.000 1.159 515 T HN 0.324 nan 8.240 nan 0.000 0.499 516 K N 2.006 122.222 120.400 -0.306 0.000 2.435 516 K HA 0.506 4.825 4.320 -0.001 0.000 0.251 516 K C -0.865 175.652 176.600 -0.137 0.000 0.954 516 K CA -1.028 55.060 56.287 -0.332 0.000 0.820 516 K CB 1.547 33.616 32.500 -0.719 0.000 1.292 516 K HN 0.804 nan 8.250 nan 0.000 0.436 517 D N 0.272 120.607 120.400 -0.108 0.000 2.447 517 D HA 0.132 4.771 4.640 -0.001 0.000 0.265 517 D C 0.800 177.061 176.300 -0.065 0.000 1.250 517 D CA -0.460 53.483 54.000 -0.096 0.000 1.046 517 D CB 0.311 41.050 40.800 -0.101 0.000 1.095 517 D HN 0.442 nan 8.370 nan 0.000 0.555 518 A N -1.096 121.628 122.820 -0.160 0.000 2.121 518 A HA 0.117 4.436 4.320 -0.001 0.000 0.218 518 A C 2.060 179.606 177.584 -0.063 0.000 1.154 518 A CA 2.063 53.993 52.037 -0.178 0.000 0.679 518 A CB -1.198 17.675 19.000 -0.211 0.000 0.795 518 A HN 0.677 nan 8.150 nan 0.000 0.458 519 K N -1.236 119.134 120.400 -0.050 0.000 2.374 519 K HA 0.424 4.743 4.320 -0.001 0.000 0.196 519 K C 1.395 177.967 176.600 -0.047 0.000 1.023 519 K CA 1.051 57.316 56.287 -0.037 0.000 1.103 519 K CB -1.035 31.444 32.500 -0.035 0.000 0.848 519 K HN 1.804 nan 8.250 nan 0.000 0.528 520 G N 0.595 109.363 108.800 -0.053 0.000 2.157 520 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.248 520 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.248 520 G C -0.197 174.527 174.900 -0.295 0.000 0.979 520 G CA 0.033 45.038 45.100 -0.158 0.000 0.650 520 G HN 0.674 nan 8.290 nan 0.000 0.529 521 N N 0.119 118.705 118.700 -0.190 0.000 2.430 521 N HA 0.415 5.155 4.740 -0.001 0.000 0.265 521 N C 0.216 175.642 175.510 -0.140 0.000 1.100 521 N CA -0.603 52.366 53.050 -0.134 0.000 0.961 521 N CB 0.437 38.914 38.487 -0.016 0.000 1.075 521 N HN 0.398 nan 8.380 nan 0.000 0.478 522 W N 1.820 123.085 121.300 -0.059 0.000 2.314 522 W HA -0.005 4.655 4.660 -0.001 0.000 0.339 522 W C 1.354 177.940 176.519 0.112 0.000 1.293 522 W CA -0.494 56.831 57.345 -0.033 0.000 1.288 522 W CB 0.315 29.734 29.460 -0.068 0.000 1.186 522 W HN 0.339 nan 8.180 nan 0.000 0.566 523 R N 2.604 123.314 120.500 0.351 0.000 2.679 523 R HA -0.023 4.316 4.340 -0.001 0.000 0.268 523 R C -0.202 176.453 176.300 0.591 0.000 1.044 523 R CA -0.461 55.822 56.100 0.304 0.000 1.105 523 R CB 0.297 30.606 30.300 0.014 0.000 0.989 523 R HN 0.409 nan 8.270 nan 0.000 0.447 524 D N 3.235 123.874 120.400 0.399 0.000 2.368 524 D HA 0.076 4.715 4.640 -0.001 0.000 0.240 524 D C -0.172 176.368 176.300 0.401 0.000 1.169 524 D CA -0.000 54.218 54.000 0.363 0.000 0.906 524 D CB 0.399 41.335 40.800 0.227 0.000 1.187 524 D HN 0.411 nan 8.370 nan 0.000 0.435 525 R N 0.129 120.793 120.500 0.274 0.000 3.152 525 R HA -0.214 4.126 4.340 -0.001 0.000 0.252 525 R C -0.613 175.737 176.300 0.082 0.000 0.930 525 R CA -0.082 56.112 56.100 0.157 0.000 0.642 525 R CB -2.668 27.709 30.300 0.128 0.000 1.205 525 R HN 0.579 nan 8.270 nan 0.000 0.452 526 F N 1.812 121.590 119.950 -0.286 0.000 2.635 526 F HA 0.035 4.562 4.527 -0.001 0.000 0.379 526 F C 0.526 175.880 175.800 -0.742 0.000 1.094 526 F CA 0.563 57.955 58.000 -1.014 0.000 1.300 526 F CB 0.403 38.406 39.000 -1.662 0.000 1.035 526 F HN 0.282 nan 8.300 nan 0.000 0.581 527 D N 4.806 124.117 120.400 -1.815 0.000 2.616 527 D HA 0.336 4.976 4.640 -0.001 0.000 0.238 527 D C 0.241 175.759 176.300 -1.303 0.000 1.354 527 D CA 0.049 53.340 54.000 -1.182 0.000 0.970 527 D CB 1.588 42.129 40.800 -0.433 0.000 1.369 527 D HN 0.663 nan 8.370 nan 0.000 0.585 528 A N 2.427 124.454 122.820 -1.322 0.000 2.070 528 A HA -0.070 4.249 4.320 -0.001 0.000 0.220 528 A C 1.634 178.924 177.584 -0.489 0.000 1.159 528 A CA 1.964 53.434 52.037 -0.944 0.000 0.656 528 A CB -0.327 18.099 19.000 -0.957 0.000 0.800 528 A HN 0.584 nan 8.150 nan 0.000 0.453 529 T N -2.707 111.606 114.554 -0.401 0.000 3.105 529 T HA 0.208 4.557 4.350 -0.001 0.000 0.253 529 T C 0.329 175.022 174.700 -0.011 0.000 1.047 529 T CA 0.104 62.066 62.100 -0.230 0.000 0.944 529 T CB -0.186 68.513 68.868 -0.283 0.000 1.016 529 T HN 0.490 nan 8.240 nan 0.000 0.544 530 E N 1.069 121.246 120.200 -0.039 0.000 2.217 530 E HA 0.213 4.563 4.350 -0.001 0.000 0.279 530 E C -0.883 175.853 176.600 0.228 0.000 1.068 530 E CA -0.865 55.609 56.400 0.124 0.000 0.882 530 E CB 0.350 30.118 29.700 0.114 0.000 1.039 530 E HN 0.419 nan 8.360 nan 0.000 0.418 531 W N 3.411 124.741 121.300 0.049 0.000 2.129 531 W HA 0.437 5.096 4.660 -0.001 0.000 0.349 531 W C 1.085 177.664 176.519 0.099 0.000 1.279 531 W CA 1.205 58.610 57.345 0.099 0.000 1.306 531 W CB 0.627 30.133 29.460 0.076 0.000 1.140 531 W HN 0.897 nan 8.180 nan 0.000 0.613 532 G N 0.231 109.220 108.800 0.315 0.000 2.632 532 G HA2 0.310 4.270 3.960 -0.001 0.000 0.224 532 G HA3 0.310 4.270 3.960 -0.001 0.000 0.224 532 G C 0.619 175.511 174.900 -0.014 0.000 1.341 532 G CA 0.158 45.353 45.100 0.158 0.000 0.880 532 G HN 1.879 nan 8.290 nan 0.000 0.566 533 G N -0.466 108.262 108.800 -0.119 0.000 2.634 533 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.318 533 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.318 533 G C -0.150 174.194 174.900 -0.926 0.000 1.207 533 G CA 1.948 46.736 45.100 -0.519 0.000 0.987 533 G HN 1.560 nan 8.290 nan 0.000 0.547 534 P HA 0.190 nan 4.420 nan 0.000 0.233 534 P C 0.248 176.930 177.300 -1.030 0.000 1.167 534 P CA 0.899 63.280 63.100 -1.198 0.000 0.770 534 P CB -0.017 30.881 31.700 -1.336 0.000 0.837 535 F N -0.484 119.190 119.950 -0.459 0.000 2.523 535 F HA 0.445 4.972 4.527 -0.001 0.000 0.329 535 F C 0.889 176.478 175.800 -0.352 0.000 1.061 535 F CA -0.628 57.080 58.000 -0.487 0.000 0.967 535 F CB 1.085 39.902 39.000 -0.305 0.000 1.218 535 F HN -0.471 nan 8.300 nan 0.000 0.480 536 T N 1.857 116.318 114.554 -0.154 0.000 2.786 536 T HA 0.268 4.617 4.350 -0.001 0.000 0.283 536 T C -0.665 174.203 174.700 0.280 0.000 0.992 536 T CA -0.622 61.491 62.100 0.022 0.000 0.954 536 T CB 0.889 69.725 68.868 -0.052 0.000 0.934 536 T HN 0.532 nan 8.240 nan 0.000 0.440 537 E N 1.051 121.344 120.200 0.155 0.000 2.360 537 E HA -0.176 4.173 4.350 -0.001 0.000 0.238 537 E C 0.337 176.693 176.600 -0.406 0.000 1.186 537 E CA 1.320 57.803 56.400 0.139 0.000 0.719 537 E CB -1.506 28.325 29.700 0.218 0.000 1.236 537 E HN 1.156 nan 8.360 nan 0.000 0.386 538 G N -1.521 106.684 108.800 -0.991 0.000 2.315 538 G HA2 0.449 4.409 3.960 -0.001 0.000 0.294 538 G HA3 0.449 4.409 3.960 -0.001 0.000 0.294 538 G C -0.720 173.684 174.900 -0.828 0.000 1.300 538 G CA 0.014 44.296 45.100 -1.363 0.000 0.843 538 G HN 0.595 nan 8.290 nan 0.000 0.527 539 S N -1.593 113.926 115.700 -0.302 0.000 2.745 539 S HA 0.727 5.196 4.470 -0.001 0.000 0.306 539 S C 1.398 175.619 174.600 -0.632 0.000 1.137 539 S CA 0.696 58.606 58.200 -0.484 0.000 0.900 539 S CB 1.418 64.443 63.200 -0.292 0.000 1.176 539 S HN 1.617 nan 8.310 nan 0.000 0.520 540 S N -0.298 114.815 115.700 -0.978 0.000 2.400 540 S HA -0.136 4.333 4.470 -0.001 0.000 0.232 540 S C 1.350 175.911 174.600 -0.064 0.000 1.025 540 S CA 1.418 59.294 58.200 -0.538 0.000 0.993 540 S CB -0.750 62.383 63.200 -0.110 0.000 0.808 540 S HN 0.713 nan 8.310 nan 0.000 0.478 541 W N 1.762 122.845 121.300 -0.362 0.000 2.325 541 W HA -0.204 4.456 4.660 -0.001 0.000 0.299 541 W C 1.900 178.335 176.519 -0.141 0.000 1.215 541 W CA 1.956 59.156 57.345 -0.243 0.000 1.244 541 W CB -0.461 28.726 29.460 -0.455 0.000 1.140 541 W HN 0.592 nan 8.180 nan 0.000 0.523 542 H N -2.566 116.596 119.070 0.153 0.000 2.344 542 H HA -0.079 4.477 4.556 -0.001 0.000 0.307 542 H C 1.935 177.275 175.328 0.020 0.000 1.057 542 H CA 1.375 57.450 56.048 0.047 0.000 1.373 542 H CB -1.316 28.326 29.762 -0.200 0.000 1.421 542 H HN 0.192 nan 8.280 nan 0.000 0.532 543 W N 1.832 123.234 121.300 0.169 0.000 2.519 543 W HA -0.081 4.578 4.660 -0.001 0.000 0.266 543 W C 2.315 178.926 176.519 0.153 0.000 1.253 543 W CA 1.057 58.531 57.345 0.214 0.000 1.274 543 W CB -0.278 29.372 29.460 0.315 0.000 1.114 543 W HN 0.051 nan 8.180 nan 0.000 0.596 544 T N -0.884 113.780 114.554 0.184 0.000 2.849 544 T HA -0.238 4.111 4.350 -0.001 0.000 0.270 544 T C 0.712 175.205 174.700 -0.344 0.000 1.066 544 T CA 1.420 63.464 62.100 -0.093 0.000 1.130 544 T CB -0.466 68.228 68.868 -0.290 0.000 0.864 544 T HN 0.281 nan 8.240 nan 0.000 0.481 545 W N 0.801 122.143 121.300 0.069 0.000 3.290 545 W HA 0.373 5.032 4.660 -0.001 0.000 0.287 545 W C 1.467 178.045 176.519 0.100 0.000 1.288 545 W CA -0.568 56.792 57.345 0.025 0.000 1.725 545 W CB 0.117 29.545 29.460 -0.055 0.000 1.103 545 W HN -0.021 nan 8.180 nan 0.000 0.670 546 S N 1.597 117.418 115.700 0.202 0.000 4.183 546 S HA 0.263 4.732 4.470 -0.001 0.000 0.195 546 S C -0.061 174.278 174.600 -0.435 0.000 1.421 546 S CA -0.026 58.148 58.200 -0.043 0.000 0.920 546 S CB -0.628 62.688 63.200 0.192 0.000 1.525 546 S HN -0.049 nan 8.310 nan 0.000 0.447 547 V N 5.474 125.070 119.914 -0.530 0.000 2.502 547 V HA 0.245 4.365 4.120 -0.001 0.000 0.261 547 V C 0.262 175.980 176.094 -0.626 0.000 0.996 547 V CA -0.527 61.373 62.300 -0.667 0.000 1.095 547 V CB -0.433 30.945 31.823 -0.741 0.000 1.325 547 V HN 0.744 nan 8.190 nan 0.000 0.574 548 F N 0.046 119.828 119.950 -0.281 0.000 2.234 548 F HA -0.114 4.413 4.527 -0.001 0.000 0.299 548 F C 2.485 178.118 175.800 -0.279 0.000 1.087 548 F CA 1.438 59.212 58.000 -0.376 0.000 1.340 548 F CB -0.489 38.235 39.000 -0.459 0.000 1.031 548 F HN 0.595 nan 8.300 nan 0.000 0.500 549 H N -1.300 117.613 119.070 -0.263 0.000 2.547 549 H HA 0.060 4.616 4.556 -0.001 0.000 0.272 549 H C -0.224 174.933 175.328 -0.284 0.000 0.989 549 H CA 1.084 56.856 56.048 -0.459 0.000 1.214 549 H CB -0.317 28.829 29.762 -1.028 0.000 1.389 549 H HN 0.232 nan 8.280 nan 0.000 0.577 550 D N 0.243 120.238 120.400 -0.675 0.000 2.968 550 D HA 0.215 4.855 4.640 -0.001 0.000 0.301 550 D C -2.073 173.980 176.300 -0.412 0.000 1.226 550 D CA -1.865 51.843 54.000 -0.487 0.000 0.746 550 D CB 0.929 41.443 40.800 -0.476 0.000 1.278 550 D HN 0.012 nan 8.370 nan 0.000 0.544 551 P HA -0.132 nan 4.420 nan 0.000 0.216 551 P C 1.285 178.484 177.300 -0.169 0.000 1.150 551 P CA 0.916 63.833 63.100 -0.305 0.000 0.837 551 P CB 0.572 31.982 31.700 -0.483 0.000 0.786 552 E N -0.079 120.062 120.200 -0.098 0.000 2.085 552 E HA -0.136 4.213 4.350 -0.001 0.000 0.194 552 E C 2.177 178.771 176.600 -0.009 0.000 0.994 552 E CA 1.962 58.363 56.400 0.001 0.000 0.801 552 E CB -1.412 28.310 29.700 0.036 0.000 0.743 552 E HN 0.131 nan 8.360 nan 0.000 0.453 553 G N 0.407 109.192 108.800 -0.025 0.000 2.432 553 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.219 553 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.219 553 G C 1.485 176.405 174.900 0.033 0.000 1.135 553 G CA 0.859 45.998 45.100 0.065 0.000 0.767 553 G HN 0.343 nan 8.290 nan 0.000 0.550 554 L N 1.960 123.125 121.223 -0.097 0.000 2.056 554 L HA -0.035 4.304 4.340 -0.001 0.000 0.207 554 L C 3.121 179.898 176.870 -0.155 0.000 1.078 554 L CA 2.438 57.182 54.840 -0.160 0.000 0.749 554 L CB -0.673 41.249 42.059 -0.227 0.000 0.901 554 L HN 0.343 nan 8.230 nan 0.000 0.433 555 S N -0.795 114.858 115.700 -0.078 0.000 2.383 555 S HA -0.150 4.319 4.470 -0.001 0.000 0.227 555 S C 2.070 176.645 174.600 -0.041 0.000 1.026 555 S CA 1.168 59.354 58.200 -0.025 0.000 0.981 555 S CB -0.942 62.319 63.200 0.102 0.000 0.818 555 S HN 0.565 nan 8.310 nan 0.000 0.472 556 E N 1.975 122.149 120.200 -0.044 0.000 2.072 556 E HA 0.095 4.444 4.350 -0.001 0.000 0.191 556 E C 2.068 178.594 176.600 -0.123 0.000 0.985 556 E CA 1.295 57.661 56.400 -0.056 0.000 0.801 556 E CB -1.150 28.530 29.700 -0.033 0.000 0.750 556 E HN 0.673 nan 8.360 nan 0.000 0.452 557 L N -0.852 120.235 121.223 -0.227 0.000 2.042 557 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 557 L C 2.960 179.576 176.870 -0.423 0.000 1.076 557 L CA 1.709 56.266 54.840 -0.472 0.000 0.749 557 L CB -0.320 41.172 42.059 -0.944 0.000 0.893 557 L HN 0.351 nan 8.230 nan 0.000 0.432 558 M N -1.274 118.140 119.600 -0.311 0.000 2.619 558 M HA 0.038 4.517 4.480 -0.001 0.000 0.251 558 M C 1.348 177.614 176.300 -0.057 0.000 1.106 558 M CA 1.034 56.254 55.300 -0.134 0.000 1.086 558 M CB 0.164 32.681 32.600 -0.138 0.000 1.465 558 M HN 0.495 nan 8.290 nan 0.000 0.506 559 G N 0.109 108.875 108.800 -0.057 0.000 2.192 559 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.193 559 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.193 559 G C 0.306 175.197 174.900 -0.015 0.000 0.999 559 G CA -0.363 44.721 45.100 -0.027 0.000 0.659 559 G HN 0.873 nan 8.290 nan 0.000 0.503 560 G N -1.858 106.940 108.800 -0.003 0.000 2.353 560 G HA2 0.226 4.185 3.960 -0.001 0.000 0.424 560 G HA3 0.226 4.185 3.960 -0.001 0.000 0.424 560 G C 0.107 175.079 174.900 0.120 0.000 1.320 560 G CA 0.370 45.483 45.100 0.021 0.000 0.995 560 G HN 0.575 nan 8.290 nan 0.000 0.580 561 H N -0.270 118.798 119.070 -0.003 0.000 2.387 561 H HA -0.068 4.487 4.556 -0.001 0.000 0.299 561 H C 2.384 177.716 175.328 0.007 0.000 1.090 561 H CA 1.660 57.704 56.048 -0.006 0.000 1.332 561 H CB 0.467 30.233 29.762 0.006 0.000 1.386 561 H HN 0.590 nan 8.280 nan 0.000 0.516 562 E N 0.123 120.410 120.200 0.146 0.000 2.028 562 E HA -0.112 4.238 4.350 -0.001 0.000 0.191 562 E C -0.681 175.961 176.600 0.070 0.000 0.988 562 E CA 0.833 57.291 56.400 0.097 0.000 0.799 562 E CB -0.284 29.461 29.700 0.075 0.000 0.755 562 E HN 0.393 nan 8.360 nan 0.000 0.447 563 P HA -0.188 nan 4.420 nan 0.000 0.215 563 P C 1.510 178.826 177.300 0.026 0.000 1.153 563 P CA 1.316 64.431 63.100 0.024 0.000 0.853 563 P CB -0.122 31.578 31.700 -0.001 0.000 0.788 564 M N -1.095 118.524 119.600 0.032 0.000 2.108 564 M HA -0.183 4.297 4.480 -0.001 0.000 0.261 564 M C 1.921 178.259 176.300 0.063 0.000 1.066 564 M CA 1.960 57.294 55.300 0.056 0.000 1.107 564 M CB -0.660 31.964 32.600 0.041 0.000 1.356 564 M HN -0.193 nan 8.290 nan 0.000 0.406 565 I N 0.374 120.973 120.570 0.048 0.000 2.208 565 I HA -0.285 3.885 4.170 -0.001 0.000 0.245 565 I C 2.606 178.797 176.117 0.124 0.000 1.097 565 I CA 1.411 62.766 61.300 0.091 0.000 1.363 565 I CB -0.570 37.502 38.000 0.121 0.000 1.051 565 I HN 0.434 nan 8.210 nan 0.000 0.413 566 A N 0.325 123.201 122.820 0.093 0.000 1.898 566 A HA -0.197 4.122 4.320 -0.001 0.000 0.216 566 A C 2.388 180.018 177.584 0.077 0.000 1.181 566 A CA 1.401 53.491 52.037 0.089 0.000 0.620 566 A CB -0.537 18.503 19.000 0.067 0.000 0.819 566 A HN 0.265 nan 8.150 nan 0.000 0.442 567 R N -0.727 119.809 120.500 0.061 0.000 2.091 567 R HA -0.046 4.294 4.340 -0.001 0.000 0.238 567 R C 2.078 178.410 176.300 0.054 0.000 1.136 567 R CA 1.435 57.568 56.100 0.054 0.000 0.959 567 R CB -0.394 29.918 30.300 0.019 0.000 0.856 567 R HN 0.535 nan 8.270 nan 0.000 0.437 568 L N 0.404 121.631 121.223 0.006 0.000 2.046 568 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 568 L C 1.587 178.429 176.870 -0.047 0.000 1.077 568 L CA 1.269 55.942 54.840 -0.278 0.000 0.747 568 L CB -0.356 41.390 42.059 -0.522 0.000 0.896 568 L HN 0.234 nan 8.230 nan 0.000 0.432 569 D N -0.582 119.917 120.400 0.164 0.000 2.144 569 D HA -0.158 4.481 4.640 -0.001 0.000 0.199 569 D C 2.322 178.707 176.300 0.141 0.000 0.984 569 D CA 1.610 55.768 54.000 0.262 0.000 0.834 569 D CB -0.084 40.848 40.800 0.221 0.000 0.955 569 D HN 0.339 nan 8.370 nan 0.000 0.465 570 S N -0.102 115.645 115.700 0.078 0.000 2.442 570 S HA -0.115 4.355 4.470 -0.001 0.000 0.236 570 S C 1.975 176.633 174.600 0.098 0.000 1.007 570 S CA 0.597 58.869 58.200 0.119 0.000 0.965 570 S CB -0.348 62.959 63.200 0.178 0.000 0.773 570 S HN 0.218 nan 8.310 nan 0.000 0.504 571 M N 0.124 119.616 119.600 -0.181 0.000 2.254 571 M HA 0.144 4.624 4.480 -0.001 0.000 0.265 571 M C -0.161 175.857 176.300 -0.470 0.000 1.066 571 M CA 0.941 56.026 55.300 -0.358 0.000 1.123 571 M CB -0.451 31.594 32.600 -0.926 0.000 1.388 571 M HN 0.283 nan 8.290 nan 0.000 0.425 572 F N 1.274 121.212 119.950 -0.020 0.000 2.508 572 F HA 0.413 4.939 4.527 -0.001 0.000 0.329 572 F C 0.751 176.590 175.800 0.066 0.000 1.198 572 F CA -1.191 56.773 58.000 -0.061 0.000 1.268 572 F CB -1.277 37.468 39.000 -0.424 0.000 1.584 572 F HN -0.166 nan 8.300 nan 0.000 0.570 573 V N 1.592 121.620 119.914 0.190 0.000 2.625 573 V HA 0.357 4.476 4.120 -0.001 0.000 0.305 573 V C 0.672 176.872 176.094 0.177 0.000 1.055 573 V CA 0.104 62.503 62.300 0.165 0.000 1.209 573 V CB -0.404 31.495 31.823 0.128 0.000 0.877 573 V HN 0.663 nan 8.190 nan 0.000 0.489 574 A N 5.385 128.296 122.820 0.152 0.000 2.316 574 A HA 0.784 5.104 4.320 -0.001 0.000 0.284 574 A C -0.580 177.057 177.584 0.087 0.000 1.115 574 A CA -0.505 51.615 52.037 0.138 0.000 0.812 574 A CB 0.015 19.083 19.000 0.113 0.000 1.064 574 A HN 1.745 nan 8.150 nan 0.000 0.489 575 P HA 0.241 nan 4.420 nan 0.000 0.264 575 P C -0.532 176.770 177.300 0.002 0.000 1.193 575 P CA 0.143 63.276 63.100 0.055 0.000 0.763 575 P CB 0.108 31.847 31.700 0.065 0.000 0.810 576 N N 1.708 120.384 118.700 -0.040 0.000 2.511 576 N HA 0.214 4.954 4.740 -0.001 0.000 0.249 576 N C 1.031 176.444 175.510 -0.162 0.000 0.971 576 N CA 0.395 53.323 53.050 -0.204 0.000 0.938 576 N CB 0.990 39.236 38.487 -0.401 0.000 1.131 576 N HN 0.354 nan 8.380 nan 0.000 0.505 577 T N 0.435 114.954 114.554 -0.057 0.000 3.107 577 T HA 0.138 4.487 4.350 -0.001 0.000 0.249 577 T C 0.671 175.555 174.700 0.306 0.000 1.096 577 T CA 0.025 62.226 62.100 0.169 0.000 1.012 577 T CB -0.389 68.568 68.868 0.149 0.000 0.977 577 T HN 0.479 nan 8.240 nan 0.000 0.527 578 Y N 1.861 122.215 120.300 0.091 0.000 2.875 578 Y HA -0.341 4.209 4.550 -0.001 0.000 0.467 578 Y C 1.319 177.180 175.900 -0.064 0.000 1.183 578 Y CA 1.199 59.306 58.100 0.011 0.000 2.568 578 Y CB -1.484 36.979 38.460 0.005 0.000 1.216 578 Y HN 0.217 nan 8.280 nan 0.000 0.629 579 N N -0.294 118.384 118.700 -0.036 0.000 2.314 579 N HA 0.078 4.817 4.740 -0.001 0.000 0.200 579 N C 0.428 175.836 175.510 -0.170 0.000 1.135 579 N CA 0.352 53.319 53.050 -0.138 0.000 0.835 579 N CB -0.220 38.154 38.487 -0.187 0.000 0.989 579 N HN 0.422 nan 8.380 nan 0.000 0.478 580 Y N 0.159 120.522 120.300 0.105 0.000 2.546 580 Y HA 0.166 4.716 4.550 -0.001 0.000 0.287 580 Y C 2.284 178.217 175.900 0.056 0.000 1.158 580 Y CA -0.217 57.928 58.100 0.075 0.000 1.307 580 Y CB -0.415 38.097 38.460 0.086 0.000 1.036 580 Y HN 0.071 nan 8.280 nan 0.000 0.532 581 G N 0.039 108.932 108.800 0.155 0.000 2.562 581 G HA2 -0.423 3.536 3.960 -0.001 0.000 0.223 581 G HA3 -0.423 3.536 3.960 -0.001 0.000 0.223 581 G C 1.916 176.867 174.900 0.086 0.000 1.102 581 G CA 1.758 46.920 45.100 0.104 0.000 0.742 581 G HN 0.467 nan 8.290 nan 0.000 0.587 582 T N -0.117 114.487 114.554 0.084 0.000 2.684 582 T HA -0.263 4.086 4.350 -0.001 0.000 0.267 582 T C 2.298 177.038 174.700 0.066 0.000 1.032 582 T CA 3.055 65.195 62.100 0.066 0.000 1.155 582 T CB -0.984 67.924 68.868 0.068 0.000 0.857 582 T HN 1.016 nan 8.240 nan 0.000 0.457 583 Y N 1.150 121.502 120.300 0.086 0.000 2.569 583 Y HA 0.370 4.920 4.550 -0.001 0.000 0.293 583 Y C 2.396 178.326 175.900 0.051 0.000 1.144 583 Y CA 0.742 58.881 58.100 0.065 0.000 1.321 583 Y CB -1.197 37.303 38.460 0.066 0.000 0.982 583 Y HN 1.326 nan 8.280 nan 0.000 0.558 584 G N -2.470 106.361 108.800 0.053 0.000 2.508 584 G HA2 0.109 4.068 3.960 -0.001 0.000 0.220 584 G HA3 0.109 4.068 3.960 -0.001 0.000 0.220 584 G C 0.940 175.865 174.900 0.041 0.000 1.287 584 G CA 0.835 45.960 45.100 0.041 0.000 0.916 584 G HN 1.683 nan 8.290 nan 0.000 0.574 585 F N 0.274 120.244 119.950 0.033 0.000 2.202 585 F HA 0.336 4.862 4.527 -0.001 0.000 0.301 585 F C 3.632 179.452 175.800 0.033 0.000 1.082 585 F CA 3.929 61.949 58.000 0.032 0.000 1.313 585 F CB -1.270 37.745 39.000 0.025 0.000 1.024 585 F HN 1.843 nan 8.300 nan 0.000 0.495 586 V N 1.064 120.996 119.914 0.031 0.000 2.287 586 V HA -0.107 4.012 4.120 -0.001 0.000 0.248 586 V C 2.806 178.919 176.094 0.032 0.000 1.053 586 V CA 4.080 66.397 62.300 0.027 0.000 1.027 586 V CB -1.609 30.227 31.823 0.023 0.000 0.646 586 V HN 0.967 nan 8.190 nan 0.000 0.447 587 I N -0.031 120.566 120.570 0.044 0.000 2.315 587 I HA -0.111 4.058 4.170 -0.001 0.000 0.248 587 I C 2.628 178.781 176.117 0.061 0.000 1.117 587 I CA 3.328 64.661 61.300 0.055 0.000 1.404 587 I CB -2.227 35.829 38.000 0.093 0.000 1.071 587 I HN 0.902 nan 8.210 nan 0.000 0.419 588 H N -0.148 118.956 119.070 0.058 0.000 2.387 588 H HA 0.072 4.627 4.556 -0.001 0.000 0.299 588 H C 2.386 177.743 175.328 0.049 0.000 1.090 588 H CA 3.095 59.176 56.048 0.055 0.000 1.332 588 H CB -0.925 28.866 29.762 0.049 0.000 1.386 588 H HN 0.839 nan 8.280 nan 0.000 0.516 589 E N 0.244 120.468 120.200 0.040 0.000 2.046 589 E HA 0.075 4.425 4.350 -0.001 0.000 0.190 589 E C 2.671 179.291 176.600 0.034 0.000 0.982 589 E CA 2.193 58.613 56.400 0.034 0.000 0.800 589 E CB -1.295 28.420 29.700 0.026 0.000 0.756 589 E HN 1.198 nan 8.360 nan 0.000 0.449 590 I N 1.213 121.801 120.570 0.030 0.000 2.286 590 I HA 0.280 4.449 4.170 -0.001 0.000 0.248 590 I C 2.994 179.132 176.117 0.036 0.000 1.115 590 I CA 2.407 63.722 61.300 0.025 0.000 1.392 590 I CB -1.567 36.441 38.000 0.013 0.000 1.065 590 I HN 0.597 nan 8.210 nan 0.000 0.418 591 A N 0.361 123.211 122.820 0.049 0.000 1.933 591 A HA -0.063 4.256 4.320 -0.001 0.000 0.218 591 A C 2.391 180.012 177.584 0.062 0.000 1.175 591 A CA 2.667 54.742 52.037 0.063 0.000 0.628 591 A CB -1.155 17.891 19.000 0.076 0.000 0.814 591 A HN 1.041 nan 8.150 nan 0.000 0.444 592 E N -0.477 119.758 120.200 0.059 0.000 2.047 592 E HA -0.177 4.172 4.350 -0.001 0.000 0.191 592 E C 2.038 178.674 176.600 0.058 0.000 0.987 592 E CA 1.592 58.031 56.400 0.065 0.000 0.799 592 E CB -0.768 28.968 29.700 0.062 0.000 0.752 592 E HN 0.709 nan 8.360 nan 0.000 0.449 593 M N 0.295 119.922 119.600 0.045 0.000 2.082 593 M HA -0.188 4.291 4.480 -0.001 0.000 0.258 593 M C 2.400 178.724 176.300 0.039 0.000 1.069 593 M CA 2.137 57.459 55.300 0.036 0.000 1.102 593 M CB -0.239 32.376 32.600 0.025 0.000 1.336 593 M HN 0.304 nan 8.290 nan 0.000 0.404 594 V N 0.717 120.656 119.914 0.041 0.000 2.427 594 V HA -0.223 3.896 4.120 -0.001 0.000 0.248 594 V C 2.700 178.824 176.094 0.050 0.000 1.051 594 V CA 1.743 64.067 62.300 0.040 0.000 1.048 594 V CB -1.478 30.370 31.823 0.043 0.000 0.666 594 V HN 0.663 nan 8.190 nan 0.000 0.456 595 A N 0.081 122.939 122.820 0.064 0.000 1.883 595 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 595 A C 2.224 179.855 177.584 0.078 0.000 1.186 595 A CA 1.939 54.022 52.037 0.075 0.000 0.624 595 A CB -0.583 18.473 19.000 0.093 0.000 0.822 595 A HN 0.485 nan 8.150 nan 0.000 0.444 596 L N -0.413 120.858 121.223 0.080 0.000 1.989 596 L HA -0.268 4.072 4.340 -0.001 0.000 0.211 596 L C 2.394 179.298 176.870 0.057 0.000 1.071 596 L CA 1.558 56.447 54.840 0.081 0.000 0.749 596 L CB -0.873 41.228 42.059 0.069 0.000 0.890 596 L HN 0.357 nan 8.230 nan 0.000 0.431 597 N N -0.218 118.505 118.700 0.040 0.000 2.133 597 N HA -0.300 4.439 4.740 -0.001 0.000 0.193 597 N C 1.994 177.516 175.510 0.020 0.000 1.012 597 N CA 2.525 55.589 53.050 0.023 0.000 0.871 597 N CB -0.472 38.024 38.487 0.015 0.000 1.011 597 N HN 0.424 nan 8.380 nan 0.000 0.435 598 M N -0.249 119.369 119.600 0.030 0.000 2.064 598 M HA 0.215 4.694 4.480 -0.001 0.000 0.260 598 M C 1.535 177.851 176.300 0.028 0.000 1.073 598 M CA 1.801 57.113 55.300 0.020 0.000 1.124 598 M CB -1.588 31.029 32.600 0.028 0.000 1.326 598 M HN 0.299 nan 8.290 nan 0.000 0.410 599 G N -0.223 108.615 108.800 0.064 0.000 2.462 599 G HA2 0.146 4.105 3.960 -0.001 0.000 0.283 599 G HA3 0.146 4.105 3.960 -0.001 0.000 0.283 599 G C 0.376 175.336 174.900 0.100 0.000 1.043 599 G CA 1.078 46.236 45.100 0.096 0.000 1.300 599 G HN 1.889 nan 8.290 nan 0.000 0.518 600 Q N 0.134 120.012 119.800 0.129 0.000 2.119 600 Q HA 0.128 4.467 4.340 -0.001 0.000 0.201 600 Q C 1.357 177.570 176.000 0.356 0.000 0.972 600 Q CA 1.705 57.624 55.803 0.192 0.000 0.847 600 Q CB 0.056 28.941 28.738 0.245 0.000 0.903 600 Q HN 1.694 nan 8.270 nan 0.000 0.433 601 Y N 0.331 120.693 120.300 0.102 0.000 2.335 601 Y HA 0.556 5.106 4.550 -0.001 0.000 0.339 601 Y C -0.107 175.885 175.900 0.153 0.000 0.987 601 Y CA -1.786 56.355 58.100 0.069 0.000 1.140 601 Y CB 1.240 39.690 38.460 -0.018 0.000 1.173 601 Y HN 0.200 nan 8.280 nan 0.000 0.486 602 A N 6.057 128.698 122.820 -0.298 0.000 2.621 602 A HA 0.211 4.531 4.320 -0.001 0.000 0.329 602 A C -0.842 176.335 177.584 -0.678 0.000 1.458 602 A CA -0.511 51.354 52.037 -0.286 0.000 1.052 602 A CB -1.043 17.949 19.000 -0.013 0.000 1.142 602 A HN 0.912 nan 8.150 nan 0.000 0.523 603 H N 1.396 119.998 119.070 -0.781 0.000 3.034 603 H HA 0.338 4.894 4.556 -0.001 0.000 0.324 603 H C 1.466 176.560 175.328 -0.390 0.000 1.015 603 H CA 1.715 57.383 56.048 -0.633 0.000 1.429 603 H CB 0.519 30.137 29.762 -0.239 0.000 1.429 603 H HN 1.153 nan 8.280 nan 0.000 0.585 604 G N 3.533 111.781 108.800 -0.920 0.000 2.232 604 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.226 604 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.226 604 G C 0.408 175.086 174.900 -0.370 0.000 0.996 604 G CA 0.085 44.817 45.100 -0.613 0.000 0.626 604 G HN 0.889 nan 8.290 nan 0.000 0.509 605 N N 0.893 119.376 118.700 -0.362 0.000 2.431 605 N HA 0.433 5.173 4.740 -0.001 0.000 0.265 605 N C 1.526 176.860 175.510 -0.293 0.000 1.184 605 N CA 0.290 53.168 53.050 -0.287 0.000 0.943 605 N CB 0.591 38.857 38.487 -0.368 0.000 1.080 605 N HN 0.306 nan 8.380 nan 0.000 0.477 606 Q N 3.896 123.541 119.800 -0.259 0.000 2.062 606 Q HA -0.150 4.190 4.340 -0.001 0.000 0.209 606 Q C -0.832 174.971 176.000 -0.329 0.000 0.996 606 Q CA 2.154 57.732 55.803 -0.375 0.000 0.859 606 Q CB -0.742 27.569 28.738 -0.712 0.000 0.920 606 Q HN 0.705 nan 8.270 nan 0.000 0.415 607 P HA -0.079 nan 4.420 nan 0.000 0.230 607 P C 0.492 177.784 177.300 -0.014 0.000 1.158 607 P CA 1.194 64.077 63.100 -0.362 0.000 0.769 607 P CB 0.071 31.055 31.700 -1.193 0.000 0.807 608 V N -5.072 114.795 119.914 -0.077 0.000 3.276 608 V HA 0.261 4.380 4.120 -0.001 0.000 0.319 608 V C 1.883 177.957 176.094 -0.033 0.000 1.427 608 V CA 0.031 62.302 62.300 -0.047 0.000 1.102 608 V CB -0.602 31.236 31.823 0.025 0.000 1.020 608 V HN -0.135 nan 8.190 nan 0.000 0.456 609 Q N 1.228 121.024 119.800 -0.005 0.000 2.170 609 Q HA -0.152 4.187 4.340 -0.001 0.000 0.203 609 Q C 2.073 178.189 176.000 0.192 0.000 0.976 609 Q CA 2.090 57.912 55.803 0.032 0.000 0.858 609 Q CB -0.181 28.564 28.738 0.012 0.000 0.907 609 Q HN 1.033 nan 8.270 nan 0.000 0.433 610 H N -2.173 116.974 119.070 0.129 0.000 2.553 610 H HA 0.308 4.864 4.556 -0.001 0.000 0.265 610 H C 1.592 177.021 175.328 0.168 0.000 0.964 610 H CA 0.686 56.819 56.048 0.141 0.000 1.156 610 H CB 0.021 29.870 29.762 0.145 0.000 1.411 610 H HN 0.163 nan 8.280 nan 0.000 0.558 611 A N 2.084 124.552 122.820 -0.587 0.000 1.933 611 A HA -0.061 4.259 4.320 -0.001 0.000 0.218 611 A C 2.497 179.879 177.584 -0.337 0.000 1.175 611 A CA 1.168 52.839 52.037 -0.611 0.000 0.628 611 A CB -0.814 17.782 19.000 -0.673 0.000 0.814 611 A HN 0.382 nan 8.150 nan 0.000 0.444 612 I N -1.909 118.553 120.570 -0.179 0.000 2.454 612 I HA -0.264 3.906 4.170 -0.001 0.000 0.254 612 I C 1.851 177.863 176.117 -0.176 0.000 1.156 612 I CA 1.185 62.344 61.300 -0.235 0.000 1.433 612 I CB -0.290 37.513 38.000 -0.329 0.000 1.082 612 I HN 0.411 nan 8.210 nan 0.000 0.432 613 Y N 0.211 120.498 120.300 -0.021 0.000 2.561 613 Y HA -0.008 4.542 4.550 -0.001 0.000 0.291 613 Y C 2.159 178.163 175.900 0.173 0.000 1.141 613 Y CA 0.445 58.607 58.100 0.104 0.000 1.303 613 Y CB -0.245 38.315 38.460 0.167 0.000 1.015 613 Y HN 0.102 nan 8.280 nan 0.000 0.547 614 L N -1.513 119.764 121.223 0.090 0.000 2.191 614 L HA -0.249 4.091 4.340 -0.001 0.000 0.212 614 L C 1.596 178.452 176.870 -0.024 0.000 1.103 614 L CA 1.165 56.001 54.840 -0.008 0.000 0.769 614 L CB -0.642 41.259 42.059 -0.264 0.000 0.908 614 L HN 0.276 nan 8.230 nan 0.000 0.438 615 Y N -0.053 120.214 120.300 -0.054 0.000 2.384 615 Y HA -0.251 4.298 4.550 -0.001 0.000 0.289 615 Y C 2.268 178.061 175.900 -0.178 0.000 1.152 615 Y CA 1.004 59.001 58.100 -0.171 0.000 1.258 615 Y CB -0.520 37.796 38.460 -0.240 0.000 0.979 615 Y HN 0.221 nan 8.280 nan 0.000 0.549 616 D N -1.401 119.065 120.400 0.109 0.000 2.264 616 D HA -0.167 4.473 4.640 -0.001 0.000 0.208 616 D C 1.202 177.349 176.300 -0.256 0.000 0.966 616 D CA 1.290 55.285 54.000 -0.008 0.000 0.864 616 D CB -0.250 40.573 40.800 0.038 0.000 0.933 616 D HN 0.456 nan 8.370 nan 0.000 0.499 617 Y N -0.226 119.884 120.300 -0.315 0.000 2.462 617 Y HA 0.197 4.747 4.550 -0.001 0.000 0.261 617 Y C 1.775 177.023 175.900 -1.085 0.000 1.146 617 Y CA 0.032 57.822 58.100 -0.516 0.000 1.283 617 Y CB 0.411 38.712 38.460 -0.265 0.000 1.090 617 Y HN -0.023 nan 8.280 nan 0.000 0.526 618 I N -4.717 115.325 120.570 -0.880 0.000 3.994 618 I HA 0.634 4.804 4.170 -0.001 0.000 0.323 618 I C 1.016 176.749 176.117 -0.640 0.000 1.501 618 I CA 0.293 60.925 61.300 -1.113 0.000 1.112 618 I CB 0.769 38.312 38.000 -0.762 0.000 1.254 618 I HN 0.056 nan 8.210 nan 0.000 0.495 619 G N 1.745 110.216 108.800 -0.549 0.000 2.184 619 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.206 619 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.206 619 G C 0.081 174.890 174.900 -0.151 0.000 0.995 619 G CA -0.108 44.968 45.100 -0.041 0.000 0.651 619 G HN 0.541 nan 8.290 nan 0.000 0.511 620 Q N 0.129 119.683 119.800 -0.409 0.000 3.048 620 Q HA 0.227 4.567 4.340 -0.001 0.000 0.337 620 Q C -1.925 173.558 176.000 -0.861 0.000 0.845 620 Q CA -1.517 53.617 55.803 -1.115 0.000 0.942 620 Q CB 2.133 30.156 28.738 -1.190 0.000 1.454 620 Q HN 0.304 nan 8.270 nan 0.000 0.392 621 P HA -0.187 nan 4.420 nan 0.000 0.220 621 P C 0.939 178.204 177.300 -0.058 0.000 1.148 621 P CA 1.058 64.104 63.100 -0.090 0.000 0.803 621 P CB -0.146 31.612 31.700 0.097 0.000 0.782 622 W N 1.559 122.869 121.300 0.016 0.000 2.364 622 W HA -0.042 4.618 4.660 -0.001 0.000 0.281 622 W C 1.766 178.289 176.519 0.008 0.000 1.219 622 W CA 0.983 58.366 57.345 0.063 0.000 1.220 622 W CB -1.540 27.888 29.460 -0.053 0.000 1.127 622 W HN -0.131 nan 8.180 nan 0.000 0.556 623 K N 0.311 120.333 120.400 -0.629 0.000 2.062 623 K HA -0.087 4.232 4.320 -0.001 0.000 0.205 623 K C 2.086 178.428 176.600 -0.431 0.000 1.051 623 K CA 2.017 57.885 56.287 -0.698 0.000 0.941 623 K CB -0.617 30.986 32.500 -1.495 0.000 0.719 623 K HN 0.103 nan 8.250 nan 0.000 0.440 624 T N 1.801 116.192 114.554 -0.271 0.000 2.635 624 T HA -0.219 4.131 4.350 -0.001 0.000 0.267 624 T C 1.859 176.451 174.700 -0.180 0.000 1.040 624 T CA 1.585 63.608 62.100 -0.128 0.000 1.156 624 T CB -0.235 68.594 68.868 -0.064 0.000 0.863 624 T HN 0.312 nan 8.240 nan 0.000 0.430 625 Q N -0.495 119.253 119.800 -0.087 0.000 2.061 625 Q HA -0.155 4.185 4.340 -0.001 0.000 0.204 625 Q C 2.096 177.968 176.000 -0.214 0.000 0.984 625 Q CA 1.860 57.606 55.803 -0.096 0.000 0.846 625 Q CB -0.383 28.385 28.738 0.049 0.000 0.902 625 Q HN 0.659 nan 8.270 nan 0.000 0.421 626 Y N 0.615 120.725 120.300 -0.317 0.000 2.114 626 Y HA -0.269 4.280 4.550 -0.001 0.000 0.284 626 Y C 2.238 177.880 175.900 -0.430 0.000 1.143 626 Y CA 1.812 59.647 58.100 -0.441 0.000 1.135 626 Y CB -0.136 38.090 38.460 -0.390 0.000 0.980 626 Y HN 0.197 nan 8.280 nan 0.000 0.499 627 H N -0.062 118.825 119.070 -0.305 0.000 2.389 627 H HA -0.099 4.457 4.556 -0.001 0.000 0.299 627 H C 2.428 177.497 175.328 -0.432 0.000 1.081 627 H CA 1.741 57.500 56.048 -0.480 0.000 1.345 627 H CB -0.444 28.898 29.762 -0.700 0.000 1.393 627 H HN 0.398 nan 8.280 nan 0.000 0.520 628 L N 0.254 121.320 121.223 -0.262 0.000 2.017 628 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 628 L C 2.792 179.549 176.870 -0.188 0.000 1.073 628 L CA 1.050 55.774 54.840 -0.193 0.000 0.745 628 L CB -0.210 41.663 42.059 -0.309 0.000 0.894 628 L HN 0.115 nan 8.230 nan 0.000 0.432 629 R N -0.193 120.129 120.500 -0.296 0.000 2.092 629 R HA -0.127 4.212 4.340 -0.001 0.000 0.231 629 R C 1.974 178.108 176.300 -0.276 0.000 1.119 629 R CA 1.170 57.095 56.100 -0.292 0.000 0.970 629 R CB -0.991 29.105 30.300 -0.340 0.000 0.864 629 R HN 0.353 nan 8.270 nan 0.000 0.440 630 N N 0.620 119.084 118.700 -0.392 0.000 2.069 630 N HA -0.127 4.612 4.740 -0.001 0.000 0.191 630 N C 1.733 177.163 175.510 -0.135 0.000 1.031 630 N CA 1.201 54.057 53.050 -0.324 0.000 0.852 630 N CB -0.106 38.095 38.487 -0.477 0.000 1.018 630 N HN -0.073 nan 8.380 nan 0.000 0.423 631 V N 0.924 120.781 119.914 -0.094 0.000 2.343 631 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 631 V C 2.368 178.551 176.094 0.148 0.000 1.051 631 V CA 1.321 63.615 62.300 -0.010 0.000 1.036 631 V CB -0.465 31.324 31.823 -0.057 0.000 0.654 631 V HN 0.363 nan 8.190 nan 0.000 0.451 632 M N -0.267 119.423 119.600 0.151 0.000 2.108 632 M HA -0.186 4.294 4.480 -0.001 0.000 0.261 632 M C 1.925 178.347 176.300 0.202 0.000 1.066 632 M CA 1.774 57.191 55.300 0.196 0.000 1.107 632 M CB -1.236 31.313 32.600 -0.085 0.000 1.356 632 M HN 0.346 nan 8.290 nan 0.000 0.406 633 D N 0.280 120.711 120.400 0.052 0.000 2.224 633 D HA -0.052 4.587 4.640 -0.001 0.000 0.205 633 D C 1.831 178.166 176.300 0.057 0.000 0.965 633 D CA 1.053 55.070 54.000 0.027 0.000 0.852 633 D CB 0.034 40.805 40.800 -0.049 0.000 0.947 633 D HN 0.414 nan 8.370 nan 0.000 0.494 634 K N -0.552 119.886 120.400 0.063 0.000 2.370 634 K HA 0.266 4.586 4.320 -0.001 0.000 0.194 634 K C 1.334 177.955 176.600 0.035 0.000 1.070 634 K CA 0.081 56.391 56.287 0.038 0.000 0.998 634 K CB 1.065 33.574 32.500 0.015 0.000 0.911 634 K HN 0.037 nan 8.250 nan 0.000 0.533 635 L N 0.386 121.643 121.223 0.057 0.000 2.808 635 L HA 0.293 4.632 4.340 -0.001 0.000 0.246 635 L C -0.671 176.041 176.870 -0.262 0.000 1.153 635 L CA -0.190 54.594 54.840 -0.093 0.000 0.956 635 L CB 0.351 42.305 42.059 -0.175 0.000 1.270 635 L HN 0.031 nan 8.230 nan 0.000 0.528 636 Y N 0.378 120.689 120.300 0.019 0.000 2.492 636 Y HA 0.423 4.972 4.550 -0.001 0.000 0.346 636 Y C -0.198 175.645 175.900 -0.096 0.000 0.997 636 Y CA -1.171 56.892 58.100 -0.062 0.000 1.025 636 Y CB 1.925 40.375 38.460 -0.017 0.000 1.263 636 Y HN 0.098 nan 8.280 nan 0.000 0.454 637 N N -2.255 116.432 118.700 -0.022 0.000 3.020 637 N HA 0.314 5.054 4.740 -0.001 0.000 0.248 637 N C -0.636 174.803 175.510 -0.119 0.000 1.480 637 N CA -0.555 52.466 53.050 -0.048 0.000 0.874 637 N CB 1.056 39.523 38.487 -0.035 0.000 1.433 637 N HN 0.283 nan 8.380 nan 0.000 0.530 638 S N -2.037 113.616 115.700 -0.079 0.000 2.605 638 S HA 0.336 4.805 4.470 -0.001 0.000 0.217 638 S C 0.903 175.447 174.600 -0.093 0.000 0.958 638 S CA -0.194 57.956 58.200 -0.084 0.000 0.919 638 S CB -0.904 62.286 63.200 -0.016 0.000 0.780 638 S HN 0.815 nan 8.310 nan 0.000 0.507 639 G N 1.651 110.387 108.800 -0.106 0.000 2.588 639 G HA2 0.366 4.326 3.960 -0.001 0.000 0.278 639 G HA3 0.366 4.326 3.960 -0.001 0.000 0.278 639 G C 0.983 175.778 174.900 -0.176 0.000 1.307 639 G CA -0.038 44.982 45.100 -0.133 0.000 1.016 639 G HN 0.440 nan 8.290 nan 0.000 0.503 640 S N -0.929 114.600 115.700 -0.284 0.000 2.399 640 S HA -0.107 4.362 4.470 -0.001 0.000 0.231 640 S C 1.953 176.444 174.600 -0.182 0.000 1.022 640 S CA 1.536 59.520 58.200 -0.360 0.000 0.983 640 S CB -0.194 62.441 63.200 -0.942 0.000 0.803 640 S HN 0.560 nan 8.310 nan 0.000 0.480 641 K N 1.060 121.370 120.400 -0.149 0.000 2.031 641 K HA 0.162 4.481 4.320 -0.001 0.000 0.205 641 K C 2.073 178.652 176.600 -0.035 0.000 1.049 641 K CA 0.835 57.083 56.287 -0.065 0.000 0.939 641 K CB -0.792 31.673 32.500 -0.059 0.000 0.717 641 K HN 0.537 nan 8.250 nan 0.000 0.438 642 G N 0.562 109.295 108.800 -0.111 0.000 5.266 642 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.262 642 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.262 642 G C -0.148 174.535 174.900 -0.362 0.000 1.359 642 G CA 0.693 45.646 45.100 -0.245 0.000 0.955 642 G HN 0.328 nan 8.290 nan 0.000 0.754 643 Y N 1.642 121.891 120.300 -0.086 0.000 2.504 643 Y HA 0.484 5.034 4.550 -0.001 0.000 0.339 643 Y C 1.604 177.406 175.900 -0.163 0.000 0.974 643 Y CA -0.488 57.495 58.100 -0.195 0.000 1.232 643 Y CB 0.795 39.176 38.460 -0.130 0.000 1.108 643 Y HN 0.398 nan 8.280 nan 0.000 0.509 644 C N 0.479 119.725 119.300 -0.090 0.000 2.539 644 C HA 0.157 4.617 4.460 -0.001 0.000 0.268 644 C C 1.778 176.745 174.990 -0.039 0.000 1.395 644 C CA -0.382 58.605 59.018 -0.052 0.000 1.757 644 C CB -1.162 26.544 27.740 -0.057 0.000 1.851 644 C HN 1.074 nan 8.230 nan 0.000 0.545 645 G N 1.258 110.024 108.800 -0.056 0.000 2.265 645 G HA2 0.101 4.061 3.960 -0.001 0.000 0.240 645 G HA3 0.101 4.061 3.960 -0.001 0.000 0.240 645 G C 0.392 175.282 174.900 -0.017 0.000 1.270 645 G CA 0.080 45.166 45.100 -0.022 0.000 0.901 645 G HN 0.354 nan 8.290 nan 0.000 0.507 646 D N 1.562 121.955 120.400 -0.011 0.000 2.149 646 D HA -0.096 4.543 4.640 -0.001 0.000 0.198 646 D C 1.973 178.264 176.300 -0.014 0.000 0.990 646 D CA 1.217 55.211 54.000 -0.011 0.000 0.839 646 D CB 0.296 41.091 40.800 -0.009 0.000 0.948 646 D HN 0.708 nan 8.370 nan 0.000 0.460 647 E N 0.165 120.349 120.200 -0.026 0.000 2.465 647 E HA -0.010 4.339 4.350 -0.001 0.000 0.191 647 E C -0.138 176.420 176.600 -0.069 0.000 1.053 647 E CA -0.128 56.254 56.400 -0.030 0.000 0.869 647 E CB 0.443 30.124 29.700 -0.031 0.000 0.977 647 E HN 0.077 nan 8.360 nan 0.000 0.483 648 D N 0.747 121.102 120.400 -0.075 0.000 2.317 648 D HA 0.123 4.762 4.640 -0.001 0.000 0.234 648 D C -0.216 176.033 176.300 -0.085 0.000 1.112 648 D CA -0.226 53.708 54.000 -0.111 0.000 0.840 648 D CB 0.575 41.321 40.800 -0.091 0.000 1.078 648 D HN -0.089 nan 8.370 nan 0.000 0.486 649 N N 1.802 120.419 118.700 -0.137 0.000 2.204 649 N HA 0.309 5.049 4.740 -0.001 0.000 0.219 649 N C 0.850 176.171 175.510 -0.316 0.000 1.151 649 N CA -0.063 52.919 53.050 -0.114 0.000 0.867 649 N CB 1.239 39.725 38.487 -0.001 0.000 1.043 649 N HN 0.552 nan 8.380 nan 0.000 0.516 650 G N 1.455 109.786 108.800 -0.782 0.000 2.211 650 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.201 650 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.201 650 G C 0.954 175.494 174.900 -0.599 0.000 0.997 650 G CA 0.078 44.368 45.100 -1.350 0.000 0.652 650 G HN 0.393 nan 8.290 nan 0.000 0.500 651 Q N 1.527 121.140 119.800 -0.312 0.000 2.515 651 Q HA 0.003 4.342 4.340 -0.001 0.000 0.212 651 Q C 1.563 177.532 176.000 -0.052 0.000 0.970 651 Q CA 1.906 57.637 55.803 -0.120 0.000 0.941 651 Q CB -0.721 27.980 28.738 -0.061 0.000 0.998 651 Q HN 0.867 nan 8.270 nan 0.000 0.518 652 T N -3.115 111.410 114.554 -0.048 0.000 3.188 652 T HA 0.223 4.573 4.350 -0.001 0.000 0.250 652 T C 1.425 176.422 174.700 0.494 0.000 1.077 652 T CA 0.249 62.478 62.100 0.214 0.000 0.967 652 T CB 0.246 69.273 68.868 0.265 0.000 1.006 652 T HN 0.127 nan 8.240 nan 0.000 0.552 653 S N 2.043 117.957 115.700 0.356 0.000 2.359 653 S HA -0.013 4.457 4.470 -0.001 0.000 0.224 653 S C 2.544 177.353 174.600 0.349 0.000 1.035 653 S CA 1.193 59.636 58.200 0.405 0.000 1.018 653 S CB -0.702 62.660 63.200 0.270 0.000 0.876 653 S HN 0.792 nan 8.310 nan 0.000 0.448 654 A N 0.162 123.152 122.820 0.283 0.000 1.930 654 A HA -0.103 4.217 4.320 -0.001 0.000 0.217 654 A C 1.808 179.660 177.584 0.446 0.000 1.175 654 A CA 1.196 53.386 52.037 0.255 0.000 0.627 654 A CB -1.038 18.058 19.000 0.160 0.000 0.815 654 A HN 0.722 nan 8.150 nan 0.000 0.443 655 W N -0.738 120.777 121.300 0.357 0.000 2.338 655 W HA -0.281 4.379 4.660 -0.001 0.000 0.304 655 W C 2.005 178.763 176.519 0.398 0.000 1.212 655 W CA 2.073 59.702 57.345 0.474 0.000 1.264 655 W CB -0.324 29.366 29.460 0.383 0.000 1.142 655 W HN 0.474 nan 8.180 nan 0.000 0.512 656 Y N -0.092 120.544 120.300 0.560 0.000 2.220 656 Y HA -0.212 4.338 4.550 -0.001 0.000 0.291 656 Y C 2.300 178.223 175.900 0.038 0.000 1.129 656 Y CA 2.424 60.650 58.100 0.209 0.000 1.161 656 Y CB -0.704 37.748 38.460 -0.013 0.000 0.997 656 Y HN -0.190 nan 8.280 nan 0.000 0.522 657 V N -0.156 119.886 119.914 0.214 0.000 2.287 657 V HA -0.326 3.794 4.120 -0.001 0.000 0.248 657 V C 2.090 178.177 176.094 -0.012 0.000 1.053 657 V CA 2.148 64.456 62.300 0.013 0.000 1.027 657 V CB -0.914 30.771 31.823 -0.229 0.000 0.646 657 V HN 0.345 nan 8.190 nan 0.000 0.447 658 F N 0.819 120.718 119.950 -0.084 0.000 2.102 658 F HA -0.153 4.373 4.527 -0.001 0.000 0.298 658 F C 2.737 178.328 175.800 -0.348 0.000 1.105 658 F CA 1.934 59.794 58.000 -0.234 0.000 1.239 658 F CB -0.730 38.201 39.000 -0.115 0.000 0.991 658 F HN 0.032 nan 8.300 nan 0.000 0.474 659 S N -0.189 115.387 115.700 -0.207 0.000 2.382 659 S HA -0.182 4.288 4.470 -0.001 0.000 0.228 659 S C 2.315 176.703 174.600 -0.354 0.000 1.027 659 S CA 0.975 58.941 58.200 -0.389 0.000 0.991 659 S CB -0.736 61.892 63.200 -0.955 0.000 0.823 659 S HN 0.376 nan 8.310 nan 0.000 0.469 660 A N 1.403 123.994 122.820 -0.382 0.000 1.972 660 A HA -0.029 4.291 4.320 -0.001 0.000 0.219 660 A C 2.087 179.567 177.584 -0.173 0.000 1.169 660 A CA 1.326 53.178 52.037 -0.308 0.000 0.635 660 A CB -0.563 18.336 19.000 -0.170 0.000 0.810 660 A HN 0.487 nan 8.150 nan 0.000 0.446 661 M N -2.012 117.473 119.600 -0.192 0.000 2.394 661 M HA 0.082 4.562 4.480 -0.001 0.000 0.264 661 M C 1.502 177.650 176.300 -0.254 0.000 1.073 661 M CA 1.158 56.298 55.300 -0.267 0.000 1.111 661 M CB 0.088 32.395 32.600 -0.487 0.000 1.401 661 M HN 0.673 nan 8.290 nan 0.000 0.448 662 G N 0.899 109.554 108.800 -0.240 0.000 2.175 662 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.182 662 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.182 662 G C -0.205 174.815 174.900 0.200 0.000 1.003 662 G CA -0.187 44.917 45.100 0.006 0.000 0.666 662 G HN 0.496 nan 8.290 nan 0.000 0.506 663 F N -1.937 118.122 119.950 0.183 0.000 2.668 663 F HA 0.842 5.369 4.527 -0.001 0.000 0.309 663 F C -1.092 174.771 175.800 0.105 0.000 1.117 663 F CA -2.642 55.465 58.000 0.177 0.000 0.951 663 F CB 1.154 40.236 39.000 0.138 0.000 1.323 663 F HN 0.256 nan 8.300 nan 0.000 0.451 664 Y N 1.741 121.978 120.300 -0.105 0.000 2.482 664 Y HA 0.561 5.111 4.550 -0.001 0.000 0.334 664 Y C -2.967 172.660 175.900 -0.455 0.000 1.091 664 Y CA -2.366 55.369 58.100 -0.608 0.000 1.027 664 Y CB 3.131 40.837 38.460 -1.256 0.000 1.306 664 Y HN 0.476 nan 8.280 nan 0.000 0.446 665 P HA 0.088 nan 4.420 nan 0.000 0.256 665 P C 0.402 177.379 177.300 -0.540 0.000 1.689 665 P CA 0.240 62.910 63.100 -0.717 0.000 1.124 665 P CB 0.992 32.226 31.700 -0.776 0.000 1.766 666 V N 2.047 121.875 119.914 -0.144 0.000 2.343 666 V HA -0.177 3.943 4.120 -0.001 0.000 0.247 666 V C 1.434 177.444 176.094 -0.141 0.000 1.051 666 V CA 1.735 64.052 62.300 0.029 0.000 1.036 666 V CB -0.283 31.672 31.823 0.220 0.000 0.654 666 V HN 0.595 nan 8.190 nan 0.000 0.451 667 C N 1.966 121.225 119.300 -0.069 0.000 2.814 667 C HA 0.525 4.984 4.460 -0.001 0.000 0.269 667 C C -2.696 172.361 174.990 0.113 0.000 1.090 667 C CA -2.244 56.791 59.018 0.028 0.000 1.492 667 C CB -0.228 27.572 27.740 0.100 0.000 1.825 667 C HN 0.281 nan 8.230 nan 0.000 0.442 668 P HA 0.326 nan 4.420 nan 0.000 0.266 668 P C 0.921 178.445 177.300 0.373 0.000 1.195 668 P CA 1.970 65.175 63.100 0.175 0.000 0.768 668 P CB 0.577 32.416 31.700 0.232 0.000 0.838 669 G N 1.362 110.297 108.800 0.225 0.000 2.254 669 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.225 669 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.225 669 G C -0.071 174.968 174.900 0.232 0.000 1.003 669 G CA 0.128 45.360 45.100 0.221 0.000 0.622 669 G HN 0.584 nan 8.290 nan 0.000 0.507 670 M N 2.903 122.678 119.600 0.292 0.000 2.114 670 M HA 0.639 5.118 4.480 -0.001 0.000 0.332 670 M C -2.504 173.792 176.300 -0.006 0.000 1.014 670 M CA -3.008 52.377 55.300 0.141 0.000 0.956 670 M CB 1.703 34.383 32.600 0.134 0.000 1.551 670 M HN -0.072 nan 8.290 nan 0.000 0.427 671 P HA 0.195 nan 4.420 nan 0.000 0.237 671 P C -1.300 175.976 177.300 -0.040 0.000 1.788 671 P CA 0.326 63.383 63.100 -0.072 0.000 1.061 671 P CB -0.375 31.322 31.700 -0.005 0.000 1.967 672 E N 0.948 121.022 120.200 -0.209 0.000 2.383 672 E HA 0.437 4.787 4.350 -0.001 0.000 0.275 672 E C -1.284 175.107 176.600 -0.348 0.000 0.918 672 E CA -0.715 55.647 56.400 -0.063 0.000 0.764 672 E CB 1.774 31.491 29.700 0.029 0.000 1.252 672 E HN 0.175 nan 8.360 nan 0.000 0.449 673 Y N 0.156 120.526 120.300 0.116 0.000 2.326 673 Y HA 0.482 5.032 4.550 -0.001 0.000 0.329 673 Y C 0.101 176.104 175.900 0.171 0.000 0.973 673 Y CA -1.032 57.111 58.100 0.072 0.000 1.162 673 Y CB 1.860 40.350 38.460 0.051 0.000 1.147 673 Y HN 0.546 nan 8.280 nan 0.000 0.456 674 A N 4.176 127.147 122.820 0.251 0.000 2.477 674 A HA 0.443 4.763 4.320 -0.001 0.000 0.246 674 A C -0.204 177.603 177.584 0.372 0.000 1.078 674 A CA -0.183 52.027 52.037 0.289 0.000 0.770 674 A CB -0.022 19.160 19.000 0.303 0.000 1.011 674 A HN 0.792 nan 8.150 nan 0.000 0.494 675 I N 2.457 123.270 120.570 0.405 0.000 2.395 675 I HA 0.401 4.571 4.170 -0.001 0.000 0.289 675 I C 1.263 177.641 176.117 0.434 0.000 1.023 675 I CA 0.468 62.023 61.300 0.424 0.000 1.350 675 I CB 1.620 39.839 38.000 0.364 0.000 1.409 675 I HN 0.802 nan 8.210 nan 0.000 0.507 676 G N 3.132 112.185 108.800 0.423 0.000 2.930 676 G HA2 0.388 4.347 3.960 -0.001 0.000 0.209 676 G HA3 0.388 4.347 3.960 -0.001 0.000 0.209 676 G C -0.550 174.404 174.900 0.090 0.000 2.018 676 G CA -0.043 45.185 45.100 0.213 0.000 0.751 676 G HN 0.496 nan 8.290 nan 0.000 0.770 677 S N 1.238 116.942 115.700 0.007 0.000 2.649 677 S HA 0.578 5.047 4.470 -0.001 0.000 0.274 677 S C -3.083 171.470 174.600 -0.079 0.000 1.176 677 S CA -0.942 57.240 58.200 -0.029 0.000 0.988 677 S CB 2.224 65.366 63.200 -0.097 0.000 1.071 677 S HN 0.293 nan 8.310 nan 0.000 0.478 678 P HA 0.206 nan 4.420 nan 0.000 0.274 678 P C 0.446 177.647 177.300 -0.165 0.000 1.231 678 P CA -0.518 62.534 63.100 -0.081 0.000 0.790 678 P CB 0.876 32.572 31.700 -0.007 0.000 0.951 679 L N 1.282 122.350 121.223 -0.258 0.000 2.354 679 L HA 0.313 4.653 4.340 -0.001 0.000 0.212 679 L C 0.426 176.970 176.870 -0.543 0.000 1.091 679 L CA 1.059 55.618 54.840 -0.468 0.000 0.828 679 L CB -0.312 41.313 42.059 -0.723 0.000 0.973 679 L HN 0.169 nan 8.230 nan 0.000 0.461 680 F N -0.784 119.056 119.950 -0.184 0.000 2.509 680 F HA 0.367 4.894 4.527 -0.001 0.000 0.334 680 F C 1.583 177.318 175.800 -0.108 0.000 1.060 680 F CA -0.690 57.215 58.000 -0.159 0.000 0.997 680 F CB 0.798 39.665 39.000 -0.221 0.000 1.271 680 F HN -0.365 nan 8.300 nan 0.000 0.488 681 K N 0.122 120.606 120.400 0.140 0.000 2.288 681 K HA -0.027 4.292 4.320 -0.001 0.000 0.201 681 K C 0.088 176.715 176.600 0.044 0.000 1.048 681 K CA 1.090 57.413 56.287 0.061 0.000 0.956 681 K CB 0.217 32.745 32.500 0.046 0.000 0.746 681 K HN 0.388 nan 8.250 nan 0.000 0.461 682 K N 0.549 120.978 120.400 0.049 0.000 2.557 682 K HA 0.167 4.486 4.320 -0.001 0.000 0.257 682 K C -1.773 174.788 176.600 -0.063 0.000 0.933 682 K CA -0.549 55.735 56.287 -0.006 0.000 0.820 682 K CB 2.019 34.508 32.500 -0.017 0.000 1.330 682 K HN -0.124 nan 8.250 nan 0.000 0.432 683 V N -0.254 119.624 119.914 -0.060 0.000 2.588 683 V HA 0.642 4.761 4.120 -0.001 0.000 0.304 683 V C -0.709 175.346 176.094 -0.064 0.000 1.042 683 V CA -0.587 61.646 62.300 -0.112 0.000 0.877 683 V CB 1.620 33.367 31.823 -0.127 0.000 0.996 683 V HN 0.700 nan 8.190 nan 0.000 0.425 684 T N 6.080 120.577 114.554 -0.094 0.000 2.770 684 T HA 0.689 5.038 4.350 -0.001 0.000 0.283 684 T C -0.530 174.029 174.700 -0.235 0.000 0.988 684 T CA -0.184 61.816 62.100 -0.168 0.000 0.957 684 T CB 1.119 69.856 68.868 -0.218 0.000 0.930 684 T HN 0.543 nan 8.240 nan 0.000 0.443 685 L N 4.746 125.868 121.223 -0.167 0.000 2.264 685 L HA 0.311 4.651 4.340 -0.001 0.000 0.289 685 L C 0.427 177.152 176.870 -0.240 0.000 1.044 685 L CA -0.360 54.405 54.840 -0.124 0.000 0.807 685 L CB 0.436 42.507 42.059 0.019 0.000 1.192 685 L HN 0.590 nan 8.230 nan 0.000 0.425 686 H N 5.683 124.752 119.070 -0.001 0.000 2.690 686 H HA 0.397 4.953 4.556 -0.001 0.000 0.289 686 H C -0.288 175.019 175.328 -0.036 0.000 1.089 686 H CA -0.262 55.780 56.048 -0.010 0.000 1.299 686 H CB 0.670 30.428 29.762 -0.008 0.000 1.405 686 H HN 0.437 nan 8.280 nan 0.000 0.463 687 L N 4.404 125.659 121.223 0.054 0.000 2.376 687 L HA 0.407 4.746 4.340 -0.001 0.000 0.267 687 L C -1.907 174.976 176.870 0.022 0.000 1.035 687 L CA -2.231 52.614 54.840 0.009 0.000 0.800 687 L CB 0.562 42.610 42.059 -0.018 0.000 1.290 687 L HN 0.332 nan 8.230 nan 0.000 0.462 688 P HA 0.019 nan 4.420 nan 0.000 0.268 688 P C -0.601 176.710 177.300 0.019 0.000 1.208 688 P CA 0.108 63.219 63.100 0.018 0.000 0.777 688 P CB 0.249 31.962 31.700 0.022 0.000 0.875 689 E N 0.663 120.875 120.200 0.019 0.000 2.868 689 E HA -0.242 4.108 4.350 -0.001 0.000 0.278 689 E C 0.833 177.445 176.600 0.019 0.000 1.009 689 E CA 0.452 56.862 56.400 0.016 0.000 0.856 689 E CB -2.346 27.362 29.700 0.013 0.000 1.428 689 E HN 0.936 nan 8.360 nan 0.000 0.423 690 G N 0.030 108.846 108.800 0.027 0.000 2.155 690 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.257 690 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.257 690 G C 0.198 175.123 174.900 0.041 0.000 0.983 690 G CA 0.814 45.935 45.100 0.036 0.000 0.676 690 G HN 0.123 nan 8.290 nan 0.000 0.528 691 K N 0.682 121.103 120.400 0.035 0.000 2.218 691 K HA 0.418 4.738 4.320 -0.001 0.000 0.276 691 K C 0.329 176.952 176.600 0.038 0.000 1.022 691 K CA -0.026 56.279 56.287 0.030 0.000 0.946 691 K CB 1.082 33.594 32.500 0.019 0.000 1.000 691 K HN 0.778 nan 8.250 nan 0.000 0.468 692 N N 0.274 118.987 118.700 0.021 0.000 2.260 692 N HA 0.424 5.163 4.740 -0.001 0.000 0.293 692 N C -1.532 173.973 175.510 -0.009 0.000 1.058 692 N CA -0.801 52.237 53.050 -0.020 0.000 0.824 692 N CB 1.162 39.612 38.487 -0.062 0.000 1.551 692 N HN 0.376 nan 8.380 nan 0.000 0.475 693 F N 2.415 122.277 119.950 -0.147 0.000 2.467 693 F HA 0.627 5.153 4.527 -0.001 0.000 0.336 693 F C -1.164 174.562 175.800 -0.123 0.000 1.123 693 F CA -0.765 57.157 58.000 -0.131 0.000 0.964 693 F CB 1.416 40.330 39.000 -0.143 0.000 1.136 693 F HN 0.331 nan 8.300 nan 0.000 0.447 694 V N 6.696 126.293 119.914 -0.529 0.000 2.398 694 V HA 0.341 4.460 4.120 -0.001 0.000 0.286 694 V C -0.604 175.346 176.094 -0.240 0.000 1.026 694 V CA -0.859 61.273 62.300 -0.280 0.000 0.868 694 V CB 1.467 33.131 31.823 -0.266 0.000 0.982 694 V HN 0.530 nan 8.190 nan 0.000 0.443 695 V N 4.269 124.206 119.914 0.039 0.000 2.348 695 V HA 0.330 4.449 4.120 -0.001 0.000 0.270 695 V C 0.465 176.566 176.094 0.012 0.000 1.037 695 V CA 0.073 62.427 62.300 0.090 0.000 0.872 695 V CB 1.317 33.269 31.823 0.214 0.000 1.002 695 V HN 0.856 nan 8.190 nan 0.000 0.464 696 S N 4.127 119.813 115.700 -0.022 0.000 2.437 696 S HA 0.760 5.230 4.470 -0.001 0.000 0.305 696 S C 0.095 174.696 174.600 0.002 0.000 1.109 696 S CA -0.072 58.113 58.200 -0.023 0.000 1.099 696 S CB 1.132 64.300 63.200 -0.054 0.000 1.004 696 S HN 1.005 nan 8.310 nan 0.000 0.475 697 A N 3.918 126.744 122.820 0.009 0.000 3.216 697 A HA 0.674 4.993 4.320 -0.001 0.000 0.321 697 A C 0.933 178.522 177.584 0.009 0.000 1.042 697 A CA -0.012 52.033 52.037 0.013 0.000 0.838 697 A CB -0.202 18.807 19.000 0.016 0.000 1.136 697 A HN 1.055 nan 8.150 nan 0.000 0.483 698 A N 0.203 123.026 122.820 0.005 0.000 2.024 698 A HA -0.081 4.238 4.320 -0.001 0.000 0.220 698 A C 1.043 178.629 177.584 0.005 0.000 1.164 698 A CA 1.778 53.818 52.037 0.004 0.000 0.643 698 A CB -0.104 18.896 19.000 -0.000 0.000 0.806 698 A HN 0.518 nan 8.150 nan 0.000 0.451 699 D N -0.221 120.182 120.400 0.005 0.000 2.427 699 D HA 0.056 4.696 4.640 -0.001 0.000 0.224 699 D C -0.108 176.190 176.300 -0.003 0.000 1.157 699 D CA -0.238 53.764 54.000 0.003 0.000 0.828 699 D CB -0.253 40.551 40.800 0.007 0.000 0.974 699 D HN 0.231 nan 8.370 nan 0.000 0.498 700 N N 1.569 120.264 118.700 -0.008 0.000 2.454 700 N HA 0.230 4.969 4.740 -0.001 0.000 0.254 700 N C -0.578 174.911 175.510 -0.036 0.000 1.228 700 N CA 0.366 53.400 53.050 -0.028 0.000 0.900 700 N CB 0.770 39.235 38.487 -0.036 0.000 1.089 700 N HN 0.089 nan 8.380 nan 0.000 0.449 701 A N 1.101 123.888 122.820 -0.054 0.000 2.586 701 A HA 0.661 4.980 4.320 -0.001 0.000 0.290 701 A C 0.406 177.943 177.584 -0.078 0.000 1.086 701 A CA -0.064 51.941 52.037 -0.054 0.000 0.665 701 A CB 0.091 19.072 19.000 -0.031 0.000 1.279 701 A HN 0.591 nan 8.150 nan 0.000 0.423 702 A N 0.071 122.847 122.820 -0.074 0.000 2.019 702 A HA -0.020 4.300 4.320 -0.001 0.000 0.219 702 A C 1.192 178.726 177.584 -0.084 0.000 1.164 702 A CA 2.284 54.268 52.037 -0.088 0.000 0.644 702 A CB -0.526 18.433 19.000 -0.068 0.000 0.805 702 A HN 0.985 nan 8.150 nan 0.000 0.449 703 D N -1.280 119.087 120.400 -0.055 0.000 2.328 703 D HA 0.048 4.687 4.640 -0.001 0.000 0.221 703 D C 0.443 176.722 176.300 -0.035 0.000 1.072 703 D CA 0.015 53.993 54.000 -0.037 0.000 0.850 703 D CB -0.207 40.588 40.800 -0.009 0.000 0.922 703 D HN 0.354 nan 8.370 nan 0.000 0.516 704 R N 1.068 121.530 120.500 -0.064 0.000 2.651 704 R HA 0.251 4.591 4.340 -0.001 0.000 0.282 704 R C -1.997 174.231 176.300 -0.121 0.000 1.565 704 R CA -1.119 54.951 56.100 -0.049 0.000 1.661 704 R CB 1.527 31.820 30.300 -0.011 0.000 1.189 704 R HN 0.037 nan 8.270 nan 0.000 0.621 705 P HA -0.060 nan 4.420 nan 0.000 0.245 705 P C -0.469 176.641 177.300 -0.317 0.000 1.203 705 P CA 0.533 63.414 63.100 -0.366 0.000 0.792 705 P CB 0.360 31.720 31.700 -0.566 0.000 0.997 706 Y N 0.378 120.687 120.300 0.015 0.000 2.310 706 Y HA 0.296 4.846 4.550 -0.001 0.000 0.326 706 Y C 1.326 177.249 175.900 0.039 0.000 1.151 706 Y CA -0.929 57.194 58.100 0.039 0.000 1.195 706 Y CB 0.442 38.924 38.460 0.037 0.000 1.210 706 Y HN -0.258 nan 8.280 nan 0.000 0.483 707 I N 4.290 125.001 120.570 0.234 0.000 2.308 707 I HA 0.181 4.351 4.170 -0.001 0.000 0.293 707 I C 1.423 177.627 176.117 0.145 0.000 1.078 707 I CA 0.011 61.410 61.300 0.165 0.000 1.292 707 I CB 0.849 38.948 38.000 0.165 0.000 1.423 707 I HN 0.719 nan 8.210 nan 0.000 0.493 708 R N 6.227 126.790 120.500 0.105 0.000 2.093 708 R HA 0.050 4.390 4.340 -0.001 0.000 0.224 708 R C 0.524 176.860 176.300 0.059 0.000 1.101 708 R CA 1.094 57.232 56.100 0.062 0.000 0.979 708 R CB 0.383 30.706 30.300 0.038 0.000 0.877 708 R HN 0.635 nan 8.270 nan 0.000 0.441 709 K N -1.096 119.348 120.400 0.074 0.000 2.597 709 K HA 0.486 4.806 4.320 -0.001 0.000 0.282 709 K C -2.272 174.388 176.600 0.101 0.000 0.975 709 K CA -0.616 55.717 56.287 0.076 0.000 0.867 709 K CB 2.002 34.531 32.500 0.049 0.000 1.465 709 K HN 0.057 nan 8.250 nan 0.000 0.417 710 A N 3.148 126.046 122.820 0.130 0.000 2.520 710 A HA 0.669 4.989 4.320 -0.001 0.000 0.298 710 A C -1.772 175.910 177.584 0.163 0.000 1.051 710 A CA -0.828 51.309 52.037 0.167 0.000 0.690 710 A CB 1.229 20.404 19.000 0.292 0.000 1.281 710 A HN 0.519 nan 8.150 nan 0.000 0.402 711 L N 1.887 123.161 121.223 0.086 0.000 2.341 711 L HA 0.578 4.918 4.340 -0.001 0.000 0.278 711 L C -0.999 175.840 176.870 -0.053 0.000 1.005 711 L CA -0.825 54.043 54.840 0.048 0.000 0.818 711 L CB 1.836 43.902 42.059 0.011 0.000 1.259 711 L HN 0.649 nan 8.230 nan 0.000 0.418 712 L N 4.175 125.348 121.223 -0.083 0.000 2.276 712 L HA 0.403 4.743 4.340 -0.001 0.000 0.286 712 L C 0.218 177.024 176.870 -0.107 0.000 1.024 712 L CA 0.241 54.948 54.840 -0.222 0.000 0.826 712 L CB 0.293 42.088 42.059 -0.440 0.000 1.211 712 L HN 0.674 nan 8.230 nan 0.000 0.422 713 N N 4.091 122.715 118.700 -0.126 0.000 2.727 713 N HA -0.214 4.525 4.740 -0.001 0.000 0.249 713 N C 0.901 176.378 175.510 -0.054 0.000 1.048 713 N CA 0.714 53.708 53.050 -0.093 0.000 0.714 713 N CB -1.103 37.344 38.487 -0.066 0.000 0.959 713 N HN 1.193 nan 8.380 nan 0.000 0.544 714 G N -1.834 106.937 108.800 -0.049 0.000 2.199 714 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.254 714 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.254 714 G C -0.286 174.613 174.900 -0.000 0.000 0.982 714 G CA 0.291 45.376 45.100 -0.024 0.000 0.632 714 G HN 0.369 nan 8.290 nan 0.000 0.529 715 Q N 0.637 120.445 119.800 0.013 0.000 2.316 715 Q HA 0.447 4.786 4.340 -0.001 0.000 0.264 715 Q C 0.132 176.182 176.000 0.084 0.000 0.987 715 Q CA -0.679 55.149 55.803 0.042 0.000 0.852 715 Q CB 1.754 30.520 28.738 0.046 0.000 1.287 715 Q HN 0.603 nan 8.270 nan 0.000 0.448 716 E N 2.058 122.306 120.200 0.080 0.000 2.568 716 E HA -0.013 4.337 4.350 -0.001 0.000 0.262 716 E C -1.299 175.409 176.600 0.180 0.000 0.961 716 E CA 0.436 56.899 56.400 0.106 0.000 0.945 716 E CB 0.378 30.114 29.700 0.061 0.000 0.924 716 E HN 0.402 nan 8.360 nan 0.000 0.467 717 F N 3.371 123.324 119.950 0.005 0.000 2.585 717 F HA 0.229 4.756 4.527 -0.001 0.000 0.319 717 F C 0.214 176.022 175.800 0.013 0.000 1.165 717 F CA -0.307 57.694 58.000 0.000 0.000 0.949 717 F CB 1.736 40.737 39.000 0.002 0.000 1.218 717 F HN 0.380 nan 8.300 nan 0.000 0.453 718 T N 1.048 115.284 114.554 -0.531 0.000 3.058 718 T HA 0.368 4.718 4.350 -0.001 0.000 0.278 718 T C 0.557 174.954 174.700 -0.506 0.000 0.974 718 T CA -0.329 61.548 62.100 -0.371 0.000 0.893 718 T CB -0.066 68.704 68.868 -0.164 0.000 1.138 718 T HN 0.521 nan 8.240 nan 0.000 0.529 719 R N 1.933 121.839 120.500 -0.990 0.000 2.594 719 R HA 0.332 4.672 4.340 -0.001 0.000 0.272 719 R C 0.034 176.103 176.300 -0.386 0.000 1.074 719 R CA -0.393 55.320 56.100 -0.645 0.000 1.105 719 R CB 0.244 30.071 30.300 -0.789 0.000 1.008 719 R HN 0.135 nan 8.270 nan 0.000 0.472 720 N N 1.911 120.625 118.700 0.022 0.000 2.346 720 N HA 0.048 4.787 4.740 -0.001 0.000 0.225 720 N C -1.073 174.629 175.510 0.320 0.000 1.144 720 N CA 0.187 53.340 53.050 0.171 0.000 0.837 720 N CB 0.048 38.638 38.487 0.172 0.000 1.069 720 N HN 0.484 nan 8.380 nan 0.000 0.487 721 Y N -2.682 117.707 120.300 0.148 0.000 2.624 721 Y HA 0.581 5.131 4.550 -0.001 0.000 0.334 721 Y C -1.639 174.438 175.900 0.296 0.000 1.155 721 Y CA -1.357 56.861 58.100 0.196 0.000 1.046 721 Y CB 0.842 39.367 38.460 0.108 0.000 1.316 721 Y HN -0.278 nan 8.280 nan 0.000 0.457 722 L N 2.872 124.226 121.223 0.218 0.000 2.334 722 L HA 0.656 4.995 4.340 -0.001 0.000 0.276 722 L C 0.143 177.129 176.870 0.192 0.000 1.014 722 L CA -0.986 53.879 54.840 0.042 0.000 0.815 722 L CB 2.526 44.453 42.059 -0.221 0.000 1.268 722 L HN 0.961 nan 8.230 nan 0.000 0.428 723 T N -3.644 110.993 114.554 0.137 0.000 2.899 723 T HA 0.108 4.457 4.350 -0.001 0.000 0.284 723 T C 1.094 175.906 174.700 0.185 0.000 1.004 723 T CA -0.389 61.846 62.100 0.225 0.000 1.043 723 T CB 1.040 70.026 68.868 0.197 0.000 1.013 723 T HN 0.619 nan 8.240 nan 0.000 0.518 724 H N 0.780 119.963 119.070 0.188 0.000 2.352 724 H HA -0.134 4.422 4.556 -0.001 0.000 0.299 724 H C 1.255 176.611 175.328 0.046 0.000 1.097 724 H CA 2.312 58.480 56.048 0.199 0.000 1.311 724 H CB -0.035 29.846 29.762 0.198 0.000 1.377 724 H HN 0.703 nan 8.280 nan 0.000 0.504 725 D N 0.541 121.008 120.400 0.112 0.000 2.149 725 D HA -0.134 4.506 4.640 -0.001 0.000 0.198 725 D C 2.110 178.381 176.300 -0.048 0.000 0.990 725 D CA 0.938 54.957 54.000 0.031 0.000 0.839 725 D CB -0.209 40.634 40.800 0.071 0.000 0.948 725 D HN 0.593 nan 8.370 nan 0.000 0.460 726 E N -0.119 120.043 120.200 -0.062 0.000 2.110 726 E HA -0.111 4.238 4.350 -0.001 0.000 0.193 726 E C 2.309 178.777 176.600 -0.221 0.000 0.988 726 E CA 0.471 56.811 56.400 -0.100 0.000 0.804 726 E CB 0.044 29.681 29.700 -0.104 0.000 0.745 726 E HN 0.265 nan 8.360 nan 0.000 0.458 727 L N 0.581 121.533 121.223 -0.452 0.000 2.068 727 L HA -0.118 4.222 4.340 -0.001 0.000 0.204 727 L C 2.532 179.214 176.870 -0.314 0.000 1.076 727 L CA 0.966 55.396 54.840 -0.684 0.000 0.753 727 L CB -0.264 41.282 42.059 -0.855 0.000 0.910 727 L HN -0.024 nan 8.230 nan 0.000 0.439 728 K N 0.420 120.630 120.400 -0.315 0.000 2.074 728 K HA -0.263 4.057 4.320 -0.001 0.000 0.209 728 K C 2.118 178.676 176.600 -0.071 0.000 1.048 728 K CA 1.948 58.113 56.287 -0.203 0.000 0.926 728 K CB -0.032 32.356 32.500 -0.187 0.000 0.713 728 K HN 0.464 nan 8.250 nan 0.000 0.444 729 Q N -0.453 119.324 119.800 -0.038 0.000 2.472 729 Q HA 0.074 4.413 4.340 -0.001 0.000 0.208 729 Q C 0.578 176.600 176.000 0.035 0.000 0.958 729 Q CA 0.548 56.354 55.803 0.004 0.000 0.932 729 Q CB 0.119 28.863 28.738 0.010 0.000 1.007 729 Q HN 0.263 nan 8.270 nan 0.000 0.508 730 G N -0.695 108.158 108.800 0.088 0.000 2.795 730 G HA2 0.178 4.138 3.960 -0.001 0.000 0.664 730 G HA3 0.178 4.138 3.960 -0.001 0.000 0.664 730 G C 0.132 175.100 174.900 0.115 0.000 1.381 730 G CA -0.463 44.718 45.100 0.135 0.000 0.853 730 G HN 1.134 nan 8.290 nan 0.000 0.545 731 G N -0.783 107.972 108.800 -0.076 0.000 2.236 731 G HA2 0.589 4.549 3.960 -0.001 0.000 0.231 731 G HA3 0.589 4.549 3.960 -0.001 0.000 0.231 731 G C -0.515 173.944 174.900 -0.734 0.000 1.334 731 G CA 0.760 45.701 45.100 -0.265 0.000 1.137 731 G HN 2.118 nan 8.290 nan 0.000 0.482 732 E N -1.140 118.586 120.200 -0.791 0.000 2.335 732 E HA 0.561 4.910 4.350 -0.001 0.000 0.280 732 E C -1.921 174.320 176.600 -0.600 0.000 0.918 732 E CA -0.854 55.029 56.400 -0.862 0.000 0.765 732 E CB 2.034 31.475 29.700 -0.431 0.000 1.218 732 E HN 1.008 nan 8.360 nan 0.000 0.425 733 L N 4.647 125.579 121.223 -0.486 0.000 2.294 733 L HA 0.502 4.842 4.340 -0.001 0.000 0.283 733 L C -1.322 175.485 176.870 -0.105 0.000 1.015 733 L CA -0.363 54.377 54.840 -0.166 0.000 0.831 733 L CB 1.173 43.265 42.059 0.054 0.000 1.217 733 L HN 0.495 nan 8.230 nan 0.000 0.420 734 N N 6.330 124.979 118.700 -0.085 0.000 2.457 734 N HA 0.376 5.116 4.740 -0.001 0.000 0.250 734 N C -1.508 174.008 175.510 0.010 0.000 0.982 734 N CA -0.293 52.732 53.050 -0.042 0.000 0.941 734 N CB 0.864 39.319 38.487 -0.052 0.000 1.120 734 N HN 0.671 nan 8.380 nan 0.000 0.505 735 L N 1.705 122.945 121.223 0.028 0.000 2.325 735 L HA 0.431 4.770 4.340 -0.001 0.000 0.278 735 L C 0.226 177.122 176.870 0.043 0.000 1.023 735 L CA -0.826 54.048 54.840 0.056 0.000 0.811 735 L CB 1.797 43.901 42.059 0.074 0.000 1.249 735 L HN 0.366 nan 8.230 nan 0.000 0.431 736 S N 3.821 119.552 115.700 0.051 0.000 2.420 736 S HA 0.546 5.015 4.470 -0.001 0.000 0.313 736 S C -0.065 174.566 174.600 0.051 0.000 1.079 736 S CA -0.801 57.423 58.200 0.041 0.000 1.104 736 S CB 0.874 64.096 63.200 0.037 0.000 0.969 736 S HN 0.354 nan 8.310 nan 0.000 0.471 737 M N 2.847 122.472 119.600 0.041 0.000 2.291 737 M HA 0.531 5.010 4.480 -0.001 0.000 0.324 737 M C -0.011 176.324 176.300 0.057 0.000 1.148 737 M CA -0.371 54.958 55.300 0.048 0.000 1.104 737 M CB 0.479 33.090 32.600 0.019 0.000 1.483 737 M HN 0.492 nan 8.290 nan 0.000 0.467 738 D N -0.797 119.659 120.400 0.093 0.000 2.609 738 D HA 0.317 4.957 4.640 -0.001 0.000 0.239 738 D C -0.033 176.374 176.300 0.178 0.000 1.229 738 D CA -0.197 53.867 54.000 0.106 0.000 0.808 738 D CB 1.633 42.488 40.800 0.092 0.000 1.448 738 D HN 0.583 nan 8.370 nan 0.000 0.433 739 S N -0.443 115.343 115.700 0.143 0.000 2.575 739 S HA 0.262 4.731 4.470 -0.001 0.000 0.215 739 S C 0.725 175.486 174.600 0.270 0.000 0.966 739 S CA 0.122 58.432 58.200 0.184 0.000 0.911 739 S CB -0.412 62.840 63.200 0.086 0.000 0.780 739 S HN 0.424 nan 8.310 nan 0.000 0.514 740 V N -1.814 118.184 119.914 0.140 0.000 2.823 740 V HA 0.732 4.851 4.120 -0.001 0.000 0.312 740 V C -3.116 172.657 176.094 -0.536 0.000 1.072 740 V CA -3.012 59.190 62.300 -0.165 0.000 0.937 740 V CB 1.749 33.472 31.823 -0.166 0.000 1.013 740 V HN -0.050 nan 8.190 nan 0.000 0.430 741 P HA 0.156 nan 4.420 nan 0.000 0.271 741 P C -0.868 176.079 177.300 -0.588 0.000 1.218 741 P CA 0.074 62.527 63.100 -1.079 0.000 0.780 741 P CB 0.570 31.529 31.700 -1.234 0.000 0.901 742 N N 2.326 120.814 118.700 -0.353 0.000 2.558 742 N HA 0.054 4.793 4.740 -0.001 0.000 0.233 742 N C 0.578 175.876 175.510 -0.353 0.000 1.038 742 N CA -0.041 52.849 53.050 -0.266 0.000 0.934 742 N CB 0.260 38.694 38.487 -0.088 0.000 1.175 742 N HN 0.241 nan 8.380 nan 0.000 0.512 743 Q N 1.486 120.924 119.800 -0.603 0.000 2.444 743 Q HA 0.052 4.392 4.340 -0.001 0.000 0.206 743 Q C 0.628 176.463 176.000 -0.275 0.000 0.948 743 Q CA 0.572 55.837 55.803 -0.896 0.000 0.946 743 Q CB 0.409 28.507 28.738 -1.067 0.000 1.027 743 Q HN 0.684 nan 8.270 nan 0.000 0.513 744 Q N -0.071 119.649 119.800 -0.133 0.000 2.384 744 Q HA 0.088 4.427 4.340 -0.001 0.000 0.207 744 Q C 0.356 176.390 176.000 0.056 0.000 0.904 744 Q CA -0.041 55.753 55.803 -0.016 0.000 0.933 744 Q CB 0.600 29.315 28.738 -0.039 0.000 1.077 744 Q HN 0.098 nan 8.270 nan 0.000 0.522 745 R N -0.032 120.519 120.500 0.085 0.000 2.297 745 R HA 0.291 4.631 4.340 -0.001 0.000 0.308 745 R C 0.116 176.521 176.300 0.176 0.000 1.029 745 R CA 0.603 56.766 56.100 0.106 0.000 0.929 745 R CB 0.541 30.896 30.300 0.092 0.000 1.046 745 R HN 0.270 nan 8.270 nan 0.000 0.461 746 G N 2.924 111.793 108.800 0.115 0.000 2.246 746 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.273 746 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.273 746 G C 0.446 175.509 174.900 0.272 0.000 1.055 746 G CA 0.761 45.948 45.100 0.145 0.000 0.851 746 G HN 0.754 nan 8.290 nan 0.000 0.500 747 T N -3.374 111.322 114.554 0.237 0.000 3.054 747 T HA 0.403 4.753 4.350 -0.001 0.000 0.255 747 T C 0.672 175.499 174.700 0.211 0.000 1.035 747 T CA 0.253 62.552 62.100 0.332 0.000 0.941 747 T CB 0.640 69.680 68.868 0.286 0.000 1.026 747 T HN 0.356 nan 8.240 nan 0.000 0.533 748 Q N 1.354 121.106 119.800 -0.080 0.000 2.222 748 Q HA 0.347 4.687 4.340 -0.001 0.000 0.252 748 Q C -2.125 173.305 176.000 -0.950 0.000 0.926 748 Q CA -2.693 52.925 55.803 -0.309 0.000 0.899 748 Q CB 1.586 30.214 28.738 -0.183 0.000 1.250 748 Q HN 0.009 nan 8.270 nan 0.000 0.441 749 P HA -0.208 nan 4.420 nan 0.000 0.217 749 P C 0.843 177.805 177.300 -0.562 0.000 1.151 749 P CA 2.133 64.746 63.100 -0.812 0.000 0.849 749 P CB 0.189 31.742 31.700 -0.245 0.000 0.787 750 A N -0.364 122.250 122.820 -0.343 0.000 2.015 750 A HA -0.182 4.138 4.320 -0.001 0.000 0.219 750 A C 1.793 179.306 177.584 -0.119 0.000 1.163 750 A CA 1.697 53.638 52.037 -0.160 0.000 0.646 750 A CB -1.072 17.864 19.000 -0.106 0.000 0.806 750 A HN 0.128 nan 8.150 nan 0.000 0.448 751 D N -0.907 119.343 120.400 -0.251 0.000 2.317 751 D HA 0.050 4.689 4.640 -0.001 0.000 0.211 751 D C -0.230 176.201 176.300 0.218 0.000 0.966 751 D CA 0.297 54.256 54.000 -0.068 0.000 0.876 751 D CB -0.116 40.643 40.800 -0.068 0.000 0.927 751 D HN 0.337 nan 8.370 nan 0.000 0.519 752 F N 1.524 121.520 119.950 0.076 0.000 2.389 752 F HA 0.318 4.845 4.527 -0.001 0.000 0.337 752 F C -1.545 174.172 175.800 -0.139 0.000 1.112 752 F CA -3.427 54.551 58.000 -0.038 0.000 1.192 752 F CB -0.254 38.732 39.000 -0.023 0.000 1.185 752 F HN -0.224 nan 8.300 nan 0.000 0.552 753 P HA 0.071 nan 4.420 nan 0.000 0.289 753 P C -0.937 176.296 177.300 -0.112 0.000 1.299 753 P CA -0.401 62.323 63.100 -0.626 0.000 0.766 753 P CB 0.350 31.619 31.700 -0.719 0.000 1.226 754 Y N 0.007 120.243 120.300 -0.106 0.000 2.480 754 Y HA 0.315 4.864 4.550 -0.001 0.000 0.338 754 Y C -0.298 175.716 175.900 0.191 0.000 1.220 754 Y CA 1.073 59.219 58.100 0.077 0.000 1.430 754 Y CB 0.344 38.864 38.460 0.099 0.000 1.311 754 Y HN 0.191 nan 8.280 nan 0.000 0.575 755 S N 5.064 120.304 115.700 -0.766 0.000 2.540 755 S HA 0.081 4.551 4.470 -0.001 0.000 0.275 755 S C -0.331 173.690 174.600 -0.966 0.000 1.123 755 S CA -0.777 57.017 58.200 -0.677 0.000 0.907 755 S CB 0.907 63.969 63.200 -0.230 0.000 1.081 755 S HN 0.771 nan 8.310 nan 0.000 0.476 756 Y N 3.000 122.956 120.300 -0.574 0.000 2.193 756 Y HA -0.188 4.362 4.550 -0.001 0.000 0.285 756 Y C 1.924 177.778 175.900 -0.076 0.000 1.166 756 Y CA 2.198 60.243 58.100 -0.091 0.000 1.181 756 Y CB -0.155 38.452 38.460 0.245 0.000 0.976 756 Y HN 0.593 nan 8.280 nan 0.000 0.520 757 S N -0.341 115.232 115.700 -0.211 0.000 2.548 757 S HA 0.071 4.540 4.470 -0.001 0.000 0.215 757 S C 0.825 175.319 174.600 -0.176 0.000 0.976 757 S CA -0.206 57.864 58.200 -0.218 0.000 0.908 757 S CB -0.013 63.158 63.200 -0.048 0.000 0.781 757 S HN 0.282 nan 8.310 nan 0.000 0.519 758 K N 0.000 120.298 120.400 -0.169 0.000 2.780 758 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 758 K CA 0.000 56.236 56.287 -0.085 0.000 0.838 758 K CB 0.000 32.466 32.500 -0.057 0.000 1.064 758 K HN 0.000 nan 8.250 nan 0.000 0.543