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 3nkr_1_A DATA FIRST_RESID 51 DATA SEQUENCE WTNTSGScKG RcFELQEVGP PDcRcDNLcK SYSSccHDFD ELcLKTARGW DATA SEQUENCE EcTKDRcGEV RNEENAcHcS EDcLSRGDcc TNYQVVcKGE SHWVDDDcEE DATA SEQUENCE IRVPEcPAGF VRPPLIIFSV DGFRASYMKK GSKVMPNIEK LRScGTHAPY DATA SEQUENCE MRPVYPTKTF PNLYTLATGL YPESHGIVGN SMYDPVFDAT FHLRGREKFN DATA SEQUENCE HRWWGGQPLW ITATKQGVRA GTFFWSVSIP HERRILTILQ WLSLPDNERP DATA SEQUENCE SVYAFYSEQP DFSGHKYGPF GPEMTNPLRE IDKTVGQLMD GLKQLKLHRc DATA SEQUENCE VNVIFVGDHG MEDVTcDRTE FLSNYLTNVD DITLVPGTLG RIRPKIPNNL DATA SEQUENCE KYDPKAIIAN LTcKKPDQHF KPYMKQHLPK RLHYANNRRI EDLHLLVERR DATA SEQUENCE WHVARKPLXX XXXXXXXcFF QGDHGFDNKV NSMQTVFVGY GPTFKYRTKV DATA SEQUENCE PPFENIELYN VMCDLLGLKP APNNGTHGSL NHLLRTNTFR PTLPEEVSRP DATA SEQUENCE NYPGIMYLQS DFDLGcTcDX XXXXXXXXXX XXXXXXTEER HLLYGRPAVL DATA SEQUENCE YRTSYDILYH TDFESGYSEI FLMPLWTSYT ISKQAEVSSI PEHLTNcVRP DATA SEQUENCE DVRVSPGFSQ NcLAYKNDKQ MSYGFLFPPY LSSSPEAKYD AFLVTNMVPM DATA SEQUENCE YPAFKRVWTY FQRVLVKKYA SERNGVNVIS GPIFDYNYNG LRDIEDEIKQ DATA SEQUENCE YVEGSSIPVP THYYSIITSc LDFTQPADKc DGPLSVSSFI LPHRPDNDES DATA SEQUENCE cNSSEDESKW VEELMKMHTA RVRDIEHLTG LDFYRKTSRS YSEILTLKTY DATA SEQUENCE LHTYE 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 51 W HA 0.000 nan 4.660 nan 0.000 0.303 51 W C 0.000 176.510 176.519 -0.015 0.000 1.175 51 W CA 0.000 57.338 57.345 -0.011 0.000 1.226 51 W CB 0.000 29.454 29.460 -0.009 0.000 1.126 52 T N 4.876 118.979 114.554 -0.752 0.000 2.792 52 T HA 0.199 4.551 4.350 0.003 0.000 0.280 52 T C -0.653 173.191 174.700 -1.428 0.000 0.990 52 T CA -0.522 61.086 62.100 -0.820 0.000 0.960 52 T CB 0.767 69.381 68.868 -0.424 0.000 0.939 52 T HN 0.339 nan 8.240 nan 0.000 0.439 53 N N 2.240 120.170 118.700 -1.284 0.000 2.448 53 N HA 0.031 4.773 4.740 0.003 0.000 0.250 53 N C 1.151 176.407 175.510 -0.423 0.000 1.136 53 N CA 0.057 52.465 53.050 -1.071 0.000 0.953 53 N CB 1.030 39.173 38.487 -0.572 0.000 1.251 53 N HN 0.621 nan 8.380 nan 0.000 0.502 54 T N 0.617 115.000 114.554 -0.284 0.000 3.148 54 T HA 0.060 4.412 4.350 0.003 0.000 0.253 54 T C 1.177 175.915 174.700 0.064 0.000 1.134 54 T CA 0.530 62.575 62.100 -0.090 0.000 1.051 54 T CB -0.064 68.777 68.868 -0.045 0.000 0.959 54 T HN 0.331 nan 8.240 nan 0.000 0.525 55 S N 0.313 116.042 115.700 0.047 0.000 2.489 55 S HA 0.263 4.735 4.470 0.003 0.000 0.228 55 S C 1.414 176.126 174.600 0.186 0.000 0.995 55 S CA 0.230 58.476 58.200 0.078 0.000 0.934 55 S CB -0.442 62.776 63.200 0.030 0.000 0.771 55 S HN 0.809 nan 8.310 nan 0.000 0.522 56 G N 1.069 109.940 108.800 0.118 0.000 2.750 56 G HA2 0.312 4.274 3.960 0.003 0.000 0.250 56 G HA3 0.312 4.274 3.960 0.003 0.000 0.250 56 G C -0.275 174.702 174.900 0.129 0.000 1.230 56 G CA -0.184 44.973 45.100 0.095 0.000 0.883 56 G HN 0.316 nan 8.290 nan 0.000 0.573 57 S N -2.161 113.569 115.700 0.049 0.000 2.536 57 S HA 0.298 4.770 4.470 0.003 0.000 0.298 57 S C 0.448 175.024 174.600 -0.041 0.000 1.083 57 S CA -0.793 57.388 58.200 -0.032 0.000 0.995 57 S CB 1.393 64.604 63.200 0.019 0.000 1.058 57 S HN 0.581 nan 8.310 nan 0.000 0.488 58 c N 3.251 121.811 118.600 -0.068 0.000 2.625 58 c HA 0.420 4.992 4.570 0.003 0.000 0.285 58 c C 1.363 175.445 174.090 -0.013 0.000 1.279 58 c CA -0.053 56.265 56.329 -0.020 0.000 1.698 58 c CB -1.989 40.532 42.510 0.019 0.000 1.821 58 c HN 0.912 nan 8.230 nan 0.000 0.600 59 K N 0.409 120.798 120.400 -0.017 0.000 2.472 59 K HA 0.398 4.720 4.320 0.003 0.000 0.280 59 K C 1.289 177.897 176.600 0.014 0.000 1.028 59 K CA 0.686 56.972 56.287 -0.002 0.000 1.045 59 K CB -0.723 31.778 32.500 0.002 0.000 0.902 59 K HN 1.225 nan 8.250 nan 0.000 0.478 60 G N 1.360 110.174 108.800 0.024 0.000 2.168 60 G HA2 -0.274 3.687 3.960 0.003 0.000 0.263 60 G HA3 -0.274 3.687 3.960 0.003 0.000 0.263 60 G C 0.984 175.917 174.900 0.055 0.000 0.977 60 G CA 0.702 45.825 45.100 0.038 0.000 0.659 60 G HN 0.714 nan 8.290 nan 0.000 0.533 61 R N -1.129 119.402 120.500 0.053 0.000 2.509 61 R HA 0.194 4.535 4.340 0.003 0.000 0.297 61 R C 0.783 177.138 176.300 0.092 0.000 0.951 61 R CA 0.187 56.326 56.100 0.065 0.000 1.103 61 R CB 0.302 30.624 30.300 0.035 0.000 1.283 61 R HN 0.397 nan 8.270 nan 0.000 0.534 62 c N 2.200 120.852 118.600 0.087 0.000 2.590 62 c HA 0.016 4.588 4.570 0.003 0.000 0.411 62 c C 0.939 175.175 174.090 0.244 0.000 1.420 62 c CA 0.347 56.710 56.329 0.056 0.000 1.643 62 c CB -1.833 40.709 42.510 0.053 0.000 2.528 62 c HN 0.621 nan 8.230 nan 0.000 0.606 63 F N 0.592 120.723 119.950 0.302 0.000 3.090 63 F HA -0.209 4.320 4.527 0.004 0.000 0.282 63 F C 1.141 177.213 175.800 0.453 0.000 0.923 63 F CA 1.021 59.255 58.000 0.390 0.000 0.977 63 F CB -1.608 37.602 39.000 0.350 0.000 0.954 63 F HN 0.799 nan 8.300 nan 0.000 0.695 64 E N 0.473 120.882 120.200 0.349 0.000 2.437 64 E HA 0.179 4.530 4.350 0.003 0.000 0.263 64 E C 0.586 177.282 176.600 0.160 0.000 1.030 64 E CA -0.306 56.236 56.400 0.236 0.000 0.934 64 E CB 0.707 30.475 29.700 0.114 0.000 0.943 64 E HN 0.563 nan 8.360 nan 0.000 0.444 65 L N 0.849 122.090 121.223 0.030 0.000 2.529 65 L HA 0.035 4.377 4.340 0.003 0.000 0.223 65 L C 1.680 178.495 176.870 -0.092 0.000 1.113 65 L CA 0.555 55.321 54.840 -0.125 0.000 0.861 65 L CB -0.532 41.348 42.059 -0.299 0.000 1.012 65 L HN 0.740 nan 8.230 nan 0.000 0.461 66 Q N 1.590 121.362 119.800 -0.047 0.000 2.315 66 Q HA 0.363 4.705 4.340 0.003 0.000 0.289 66 Q C 0.380 176.344 176.000 -0.060 0.000 1.044 66 Q CA 0.584 56.359 55.803 -0.048 0.000 0.920 66 Q CB -0.728 27.994 28.738 -0.027 0.000 1.214 66 Q HN 0.528 nan 8.270 nan 0.000 0.392 67 E N 0.708 120.867 120.200 -0.068 0.000 2.290 67 E HA 0.514 4.865 4.350 0.003 0.000 0.277 67 E C -0.693 175.858 176.600 -0.081 0.000 1.035 67 E CA -0.054 56.298 56.400 -0.080 0.000 0.873 67 E CB 1.225 30.881 29.700 -0.073 0.000 1.029 67 E HN 0.970 nan 8.360 nan 0.000 0.419 68 V N 2.723 122.575 119.914 -0.104 0.000 2.482 68 V HA 0.730 4.852 4.120 0.003 0.000 0.295 68 V C 0.644 176.656 176.094 -0.136 0.000 1.026 68 V CA -0.361 61.875 62.300 -0.106 0.000 0.856 68 V CB 1.821 33.583 31.823 -0.101 0.000 1.001 68 V HN 0.954 nan 8.190 nan 0.000 0.424 69 G N 4.982 113.712 108.800 -0.117 0.000 2.441 69 G HA2 0.768 4.730 3.960 0.003 0.000 0.334 69 G HA3 0.768 4.730 3.960 0.003 0.000 0.334 69 G C -2.998 171.831 174.900 -0.119 0.000 1.161 69 G CA -1.806 43.217 45.100 -0.127 0.000 0.935 69 G HN 0.516 nan 8.290 nan 0.000 0.488 70 P HA 0.178 nan 4.420 nan 0.000 0.268 70 P C -1.572 175.685 177.300 -0.071 0.000 1.205 70 P CA -1.121 61.904 63.100 -0.125 0.000 0.771 70 P CB 0.939 32.572 31.700 -0.112 0.000 0.858 71 P HA -0.046 nan 4.420 nan 0.000 0.222 71 P C -0.144 177.035 177.300 -0.201 0.000 1.153 71 P CA 0.949 63.984 63.100 -0.108 0.000 0.798 71 P CB 0.124 31.829 31.700 0.008 0.000 0.796 72 D N 0.857 121.175 120.400 -0.135 0.000 2.488 72 D HA 0.014 4.656 4.640 0.003 0.000 0.238 72 D C 0.660 176.855 176.300 -0.174 0.000 1.138 72 D CA 0.269 54.188 54.000 -0.135 0.000 0.873 72 D CB 0.921 41.666 40.800 -0.092 0.000 1.183 72 D HN 0.258 nan 8.370 nan 0.000 0.458 73 c N 2.249 120.748 118.600 -0.167 0.000 2.520 73 c HA 0.672 5.243 4.570 0.003 0.000 0.376 73 c C 0.518 174.522 174.090 -0.144 0.000 1.268 73 c CA -0.927 55.300 56.329 -0.170 0.000 2.414 73 c CB 0.412 42.838 42.510 -0.141 0.000 2.521 73 c HN 0.531 nan 8.230 nan 0.000 0.618 74 R N 0.420 120.816 120.500 -0.172 0.000 2.873 74 R HA 0.647 4.989 4.340 0.003 0.000 0.264 74 R C -0.736 175.433 176.300 -0.218 0.000 1.026 74 R CA -0.612 55.378 56.100 -0.183 0.000 1.002 74 R CB 1.487 31.656 30.300 -0.219 0.000 1.174 74 R HN 0.858 nan 8.270 nan 0.000 0.488 75 c N 0.561 119.054 118.600 -0.178 0.000 3.144 75 c HA 0.216 4.788 4.570 0.003 0.000 0.253 75 c C -0.229 173.776 174.090 -0.142 0.000 2.010 75 c CA -0.730 55.525 56.329 -0.123 0.000 1.698 75 c CB -1.123 41.410 42.510 0.037 0.000 3.346 75 c HN 0.816 nan 8.230 nan 0.000 0.449 76 D N -0.482 119.781 120.400 -0.228 0.000 2.650 76 D HA 0.157 4.799 4.640 0.003 0.000 0.255 76 D C 0.334 176.629 176.300 -0.009 0.000 1.135 76 D CA -0.465 53.524 54.000 -0.020 0.000 1.099 76 D CB 0.498 41.310 40.800 0.021 0.000 1.273 76 D HN -0.098 nan 8.370 nan 0.000 0.628 77 N N -1.006 117.818 118.700 0.207 0.000 2.188 77 N HA -0.115 4.627 4.740 0.003 0.000 0.184 77 N C 1.801 177.472 175.510 0.268 0.000 1.018 77 N CA 1.294 54.490 53.050 0.244 0.000 0.858 77 N CB -0.265 38.287 38.487 0.108 0.000 0.989 77 N HN 0.505 nan 8.380 nan 0.000 0.426 78 L N 1.244 122.609 121.223 0.237 0.000 2.552 78 L HA 0.029 4.371 4.340 0.003 0.000 0.227 78 L C 2.927 179.930 176.870 0.222 0.000 1.146 78 L CA 1.282 56.318 54.840 0.326 0.000 0.858 78 L CB -2.148 40.027 42.059 0.194 0.000 0.969 78 L HN 0.550 nan 8.230 nan 0.000 0.451 79 c N -1.468 117.112 118.600 -0.034 0.000 2.422 79 c HA -0.143 4.429 4.570 0.003 0.000 0.279 79 c C 2.604 176.649 174.090 -0.074 0.000 1.305 79 c CA 0.981 57.221 56.329 -0.149 0.000 1.757 79 c CB -1.074 41.184 42.510 -0.421 0.000 1.962 79 c HN 0.675 nan 8.230 nan 0.000 0.499 80 K N 1.736 122.098 120.400 -0.063 0.000 2.097 80 K HA -0.048 4.274 4.320 0.003 0.000 0.205 80 K C 2.282 178.831 176.600 -0.085 0.000 1.050 80 K CA 1.645 57.910 56.287 -0.037 0.000 0.938 80 K CB -0.492 32.031 32.500 0.037 0.000 0.718 80 K HN 0.562 nan 8.250 nan 0.000 0.442 81 S N 0.659 116.257 115.700 -0.169 0.000 2.442 81 S HA -0.108 4.364 4.470 0.003 0.000 0.236 81 S C 1.148 175.265 174.600 -0.804 0.000 1.007 81 S CA 1.089 58.915 58.200 -0.624 0.000 0.965 81 S CB -0.201 62.207 63.200 -1.320 0.000 0.773 81 S HN 0.329 nan 8.310 nan 0.000 0.504 82 Y N 0.592 120.699 120.300 -0.322 0.000 2.531 82 Y HA 0.361 4.913 4.550 0.003 0.000 0.249 82 Y C 1.030 176.821 175.900 -0.181 0.000 1.168 82 Y CA -0.794 57.151 58.100 -0.259 0.000 1.226 82 Y CB -0.287 38.024 38.460 -0.248 0.000 1.177 82 Y HN -0.051 nan 8.280 nan 0.000 0.527 83 S N 0.784 116.455 115.700 -0.048 0.000 3.550 83 S HA -0.199 4.273 4.470 0.003 0.000 0.372 83 S C 0.957 175.521 174.600 -0.060 0.000 0.966 83 S CA 1.012 59.184 58.200 -0.048 0.000 1.229 83 S CB -1.500 61.676 63.200 -0.039 0.000 0.917 83 S HN 0.673 nan 8.310 nan 0.000 0.496 84 S N -2.680 112.971 115.700 -0.082 0.000 2.780 84 S HA 0.307 4.779 4.470 0.003 0.000 0.248 84 S C 0.591 175.086 174.600 -0.175 0.000 1.036 84 S CA -0.206 57.913 58.200 -0.135 0.000 1.061 84 S CB -0.075 63.041 63.200 -0.139 0.000 1.037 84 S HN 0.587 nan 8.310 nan 0.000 0.584 85 c N 2.290 120.780 118.600 -0.183 0.000 2.703 85 c HA 0.403 4.975 4.570 0.003 0.000 0.411 85 c C 1.493 175.513 174.090 -0.116 0.000 1.290 85 c CA -0.744 55.441 56.329 -0.239 0.000 2.054 85 c CB -0.770 41.568 42.510 -0.285 0.000 2.732 85 c HN 0.643 nan 8.230 nan 0.000 0.650 86 c N 3.300 121.848 118.600 -0.086 0.000 2.656 86 c HA 0.091 4.662 4.570 0.003 0.000 0.391 86 c C 2.197 176.285 174.090 -0.004 0.000 1.300 86 c CA -0.264 56.044 56.329 -0.035 0.000 2.302 86 c CB -0.117 42.357 42.510 -0.060 0.000 2.655 86 c HN 1.050 nan 8.230 nan 0.000 0.656 87 H N 1.288 120.372 119.070 0.022 0.000 2.489 87 H HA -0.093 4.465 4.556 0.003 0.000 0.293 87 H C 0.537 175.899 175.328 0.057 0.000 1.066 87 H CA 1.820 57.890 56.048 0.037 0.000 1.305 87 H CB -0.341 29.437 29.762 0.026 0.000 1.386 87 H HN 0.812 nan 8.280 nan 0.000 0.551 88 D N -0.593 119.481 120.400 -0.543 0.000 2.501 88 D HA -0.031 4.611 4.640 0.003 0.000 0.226 88 D C 1.495 177.721 176.300 -0.124 0.000 1.198 88 D CA -0.721 53.090 54.000 -0.316 0.000 0.830 88 D CB -1.074 39.461 40.800 -0.442 0.000 1.014 88 D HN 0.244 nan 8.370 nan 0.000 0.496 89 F N 1.944 121.789 119.950 -0.175 0.000 2.046 89 F HA -0.138 4.391 4.527 0.003 0.000 0.297 89 F C 1.133 176.878 175.800 -0.091 0.000 1.123 89 F CA 1.788 59.705 58.000 -0.139 0.000 1.199 89 F CB -0.150 38.774 39.000 -0.127 0.000 0.972 89 F HN -0.167 nan 8.300 nan 0.000 0.474 90 D N -0.194 120.142 120.400 -0.106 0.000 2.117 90 D HA -0.220 4.422 4.640 0.003 0.000 0.197 90 D C 2.180 178.372 176.300 -0.179 0.000 0.987 90 D CA 1.636 55.525 54.000 -0.185 0.000 0.829 90 D CB -0.311 40.500 40.800 0.018 0.000 0.961 90 D HN 0.570 nan 8.370 nan 0.000 0.460 91 E N 0.329 120.463 120.200 -0.110 0.000 2.051 91 E HA -0.163 4.189 4.350 0.003 0.000 0.192 91 E C 1.925 178.460 176.600 -0.108 0.000 0.991 91 E CA 0.819 57.169 56.400 -0.083 0.000 0.799 91 E CB -0.031 29.642 29.700 -0.046 0.000 0.748 91 E HN 0.277 nan 8.360 nan 0.000 0.449 92 L N -0.125 121.013 121.223 -0.141 0.000 2.162 92 L HA -0.050 4.292 4.340 0.003 0.000 0.205 92 L C 2.375 179.157 176.870 -0.146 0.000 1.086 92 L CA 0.540 55.310 54.840 -0.117 0.000 0.778 92 L CB 0.098 42.097 42.059 -0.100 0.000 0.928 92 L HN 0.368 nan 8.230 nan 0.000 0.446 93 c N -0.785 117.629 118.600 -0.310 0.000 2.735 93 c HA 0.228 4.800 4.570 0.003 0.000 0.271 93 c C 1.509 175.477 174.090 -0.202 0.000 1.281 93 c CA -0.342 55.777 56.329 -0.349 0.000 1.719 93 c CB -0.236 41.775 42.510 -0.832 0.000 2.024 93 c HN 0.310 nan 8.230 nan 0.000 0.566 94 L N 1.450 122.535 121.223 -0.230 0.000 3.096 94 L HA 0.200 4.542 4.340 0.003 0.000 0.272 94 L C -0.088 176.775 176.870 -0.012 0.000 1.311 94 L CA 0.065 54.868 54.840 -0.062 0.000 0.943 94 L CB -0.278 41.719 42.059 -0.102 0.000 1.348 94 L HN 0.260 nan 8.230 nan 0.000 0.562 95 K N 0.470 120.859 120.400 -0.019 0.000 2.414 95 K HA 0.134 4.456 4.320 0.003 0.000 0.272 95 K C 0.990 177.524 176.600 -0.110 0.000 0.993 95 K CA 0.353 56.603 56.287 -0.062 0.000 0.964 95 K CB 0.929 33.384 32.500 -0.075 0.000 0.925 95 K HN 0.207 nan 8.250 nan 0.000 0.487 96 T N -2.982 111.461 114.554 -0.185 0.000 3.087 96 T HA 0.183 4.535 4.350 0.003 0.000 0.283 96 T C 0.559 175.011 174.700 -0.413 0.000 0.956 96 T CA -0.411 61.486 62.100 -0.338 0.000 0.894 96 T CB 0.425 69.204 68.868 -0.148 0.000 1.160 96 T HN 0.547 nan 8.240 nan 0.000 0.532 97 A N 2.333 124.979 122.820 -0.291 0.000 2.524 97 A HA 0.516 4.838 4.320 0.003 0.000 0.250 97 A C 1.120 178.521 177.584 -0.305 0.000 1.078 97 A CA 0.031 51.922 52.037 -0.244 0.000 0.761 97 A CB -0.416 18.484 19.000 -0.166 0.000 1.012 97 A HN 0.547 nan 8.150 nan 0.000 0.500 98 R N 0.979 121.322 120.500 -0.262 0.000 3.728 98 R HA -0.201 4.141 4.340 0.003 0.000 0.478 98 R C 0.980 177.090 176.300 -0.317 0.000 0.932 98 R CA 1.089 57.047 56.100 -0.237 0.000 1.317 98 R CB -2.483 27.699 30.300 -0.196 0.000 1.987 98 R HN 2.763 nan 8.270 nan 0.000 0.509 99 G N -0.360 108.124 108.800 -0.526 0.000 2.593 99 G HA2 -0.300 3.662 3.960 0.003 0.000 0.237 99 G HA3 -0.300 3.662 3.960 0.003 0.000 0.237 99 G C -0.060 174.349 174.900 -0.818 0.000 1.312 99 G CA 0.268 44.917 45.100 -0.752 0.000 0.896 99 G HN 0.257 nan 8.290 nan 0.000 0.574 100 W N 0.919 122.191 121.300 -0.047 0.000 2.862 100 W HA 0.530 5.192 4.660 0.003 0.000 0.376 100 W C 0.754 177.254 176.519 -0.031 0.000 1.028 100 W CA -0.000 57.316 57.345 -0.048 0.000 1.757 100 W CB 0.706 30.138 29.460 -0.047 0.000 1.128 100 W HN 0.509 nan 8.180 nan 0.000 0.566 101 E N 0.267 120.530 120.200 0.105 0.000 2.234 101 E HA 0.316 4.668 4.350 0.003 0.000 0.266 101 E C -0.815 175.812 176.600 0.045 0.000 0.877 101 E CA -0.866 55.588 56.400 0.089 0.000 0.758 101 E CB 1.777 31.530 29.700 0.088 0.000 1.170 101 E HN -0.233 nan 8.360 nan 0.000 0.415 102 c N 2.530 121.172 118.600 0.069 0.000 2.662 102 c HA 0.247 4.819 4.570 0.003 0.000 0.420 102 c C 0.894 175.008 174.090 0.040 0.000 1.314 102 c CA -0.103 56.266 56.329 0.067 0.000 1.963 102 c CB -0.742 41.844 42.510 0.128 0.000 2.686 102 c HN 0.691 nan 8.230 nan 0.000 0.609 103 T N -0.425 114.145 114.554 0.025 0.000 2.912 103 T HA 0.586 4.938 4.350 0.003 0.000 0.288 103 T C 0.810 175.516 174.700 0.009 0.000 1.030 103 T CA -0.196 61.912 62.100 0.012 0.000 1.020 103 T CB 1.576 70.445 68.868 0.002 0.000 1.056 103 T HN 0.733 nan 8.240 nan 0.000 0.480 104 K N 1.054 121.453 120.400 -0.001 0.000 2.173 104 K HA -0.191 4.130 4.320 0.003 0.000 0.207 104 K C 1.609 178.210 176.600 0.001 0.000 1.046 104 K CA 2.319 58.601 56.287 -0.008 0.000 0.929 104 K CB -1.528 30.964 32.500 -0.013 0.000 0.720 104 K HN 0.959 nan 8.250 nan 0.000 0.453 105 D N -0.950 119.452 120.400 0.002 0.000 2.371 105 D HA -0.130 4.512 4.640 0.003 0.000 0.221 105 D C 1.482 177.789 176.300 0.010 0.000 0.986 105 D CA 0.461 54.463 54.000 0.003 0.000 0.899 105 D CB -0.055 40.743 40.800 -0.002 0.000 0.902 105 D HN 0.556 nan 8.370 nan 0.000 0.530 106 R N -0.344 120.168 120.500 0.020 0.000 2.334 106 R HA 0.179 4.521 4.340 0.003 0.000 0.212 106 R C 0.478 176.817 176.300 0.065 0.000 0.897 106 R CA -0.264 55.857 56.100 0.034 0.000 1.056 106 R CB 0.422 30.741 30.300 0.032 0.000 1.046 106 R HN 0.104 nan 8.270 nan 0.000 0.513 107 c N 1.892 120.529 118.600 0.063 0.000 2.633 107 c HA 0.199 4.770 4.570 0.003 0.000 0.415 107 c C 1.598 175.740 174.090 0.087 0.000 1.393 107 c CA 0.479 56.863 56.329 0.092 0.000 1.700 107 c CB -0.397 42.130 42.510 0.029 0.000 2.541 107 c HN 0.858 nan 8.230 nan 0.000 0.603 108 G N 3.407 112.285 108.800 0.129 0.000 2.295 108 G HA2 -0.206 3.755 3.960 0.003 0.000 0.287 108 G HA3 -0.206 3.755 3.960 0.003 0.000 0.287 108 G C -0.027 174.907 174.900 0.057 0.000 1.055 108 G CA 0.549 45.702 45.100 0.088 0.000 0.922 108 G HN 0.951 nan 8.290 nan 0.000 0.503 109 E N -0.995 119.240 120.200 0.059 0.000 2.371 109 E HA 0.539 4.891 4.350 0.003 0.000 0.257 109 E C 0.324 176.943 176.600 0.032 0.000 1.134 109 E CA -0.997 55.427 56.400 0.039 0.000 0.919 109 E CB 1.489 31.212 29.700 0.039 0.000 1.025 109 E HN 0.110 nan 8.360 nan 0.000 0.438 110 V N 1.861 121.788 119.914 0.023 0.000 2.637 110 V HA 0.024 4.145 4.120 0.003 0.000 0.296 110 V C 0.849 176.957 176.094 0.025 0.000 1.046 110 V CA -0.133 62.176 62.300 0.016 0.000 1.066 110 V CB 0.795 32.624 31.823 0.010 0.000 0.968 110 V HN 0.679 nan 8.190 nan 0.000 0.483 111 R N 4.408 124.917 120.500 0.015 0.000 2.458 111 R HA 0.013 4.354 4.340 0.003 0.000 0.303 111 R C -0.119 176.208 176.300 0.045 0.000 1.013 111 R CA 0.085 56.202 56.100 0.027 0.000 1.026 111 R CB 0.049 30.314 30.300 -0.059 0.000 0.948 111 R HN 0.748 nan 8.270 nan 0.000 0.417 112 N N 3.243 122.004 118.700 0.101 0.000 2.417 112 N HA 0.043 4.784 4.740 0.003 0.000 0.274 112 N C -0.294 175.307 175.510 0.152 0.000 0.987 112 N CA -0.417 52.678 53.050 0.076 0.000 0.912 112 N CB 1.563 40.071 38.487 0.035 0.000 1.177 112 N HN 0.599 nan 8.380 nan 0.000 0.490 113 E N 1.812 122.074 120.200 0.104 0.000 2.511 113 E HA -0.093 4.258 4.350 0.003 0.000 0.196 113 E C 0.126 176.782 176.600 0.092 0.000 1.066 113 E CA 0.339 56.822 56.400 0.139 0.000 0.871 113 E CB 0.448 30.178 29.700 0.050 0.000 0.863 113 E HN 0.625 nan 8.360 nan 0.000 0.520 114 E N 0.624 120.846 120.200 0.037 0.000 2.447 114 E HA 0.011 4.362 4.350 0.003 0.000 0.195 114 E C 0.098 176.651 176.600 -0.079 0.000 1.028 114 E CA 0.007 56.395 56.400 -0.019 0.000 0.876 114 E CB 0.227 29.910 29.700 -0.027 0.000 0.885 114 E HN 0.023 nan 8.360 nan 0.000 0.500 115 N N 0.049 118.682 118.700 -0.112 0.000 2.525 115 N HA 0.079 4.821 4.740 0.003 0.000 0.271 115 N C 0.571 175.870 175.510 -0.352 0.000 1.194 115 N CA 0.610 53.505 53.050 -0.260 0.000 0.964 115 N CB 1.442 39.738 38.487 -0.318 0.000 1.126 115 N HN 0.114 nan 8.380 nan 0.000 0.452 116 A N 1.170 123.760 122.820 -0.384 0.000 1.908 116 A HA -0.085 4.237 4.320 0.003 0.000 0.218 116 A C 0.917 178.335 177.584 -0.276 0.000 1.181 116 A CA 1.333 53.145 52.037 -0.375 0.000 0.627 116 A CB -0.507 18.028 19.000 -0.775 0.000 0.818 116 A HN 0.827 nan 8.150 nan 0.000 0.445 117 c N -4.502 113.866 118.600 -0.387 0.000 3.323 117 c HA 0.824 5.396 4.570 0.003 0.000 0.324 117 c C -0.611 173.142 174.090 -0.563 0.000 1.428 117 c CA -1.285 54.844 56.329 -0.333 0.000 1.368 117 c CB 0.779 43.265 42.510 -0.040 0.000 1.731 117 c HN 0.493 nan 8.230 nan 0.000 0.455 118 H N -1.372 117.663 119.070 -0.057 0.000 2.679 118 H HA 0.539 5.096 4.556 0.003 0.000 0.367 118 H C -0.669 174.586 175.328 -0.122 0.000 1.162 118 H CA -0.382 55.614 56.048 -0.086 0.000 1.181 118 H CB 1.846 31.547 29.762 -0.102 0.000 1.693 118 H HN 0.865 nan 8.280 nan 0.000 0.538 119 c N 0.965 119.583 118.600 0.030 0.000 3.512 119 c HA 0.117 4.689 4.570 0.003 0.000 0.276 119 c C 1.192 175.322 174.090 0.067 0.000 1.592 119 c CA -0.455 55.912 56.329 0.063 0.000 1.803 119 c CB -1.072 41.544 42.510 0.175 0.000 2.996 119 c HN 0.764 nan 8.230 nan 0.000 0.590 120 S N 0.814 116.507 115.700 -0.012 0.000 2.600 120 S HA 0.222 4.694 4.470 0.003 0.000 0.265 120 S C 0.865 175.440 174.600 -0.042 0.000 1.325 120 S CA 0.158 58.360 58.200 0.002 0.000 1.002 120 S CB 1.084 64.277 63.200 -0.011 0.000 0.921 120 S HN 0.356 nan 8.310 nan 0.000 0.554 121 E N 0.974 121.189 120.200 0.025 0.000 2.153 121 E HA -0.185 4.167 4.350 0.003 0.000 0.194 121 E C 1.120 177.713 176.600 -0.011 0.000 0.988 121 E CA 1.822 58.253 56.400 0.052 0.000 0.811 121 E CB -0.374 29.359 29.700 0.055 0.000 0.746 121 E HN 0.861 nan 8.360 nan 0.000 0.466 122 D N -0.969 119.400 120.400 -0.052 0.000 2.340 122 D HA -0.086 4.556 4.640 0.003 0.000 0.220 122 D C 1.828 178.063 176.300 -0.109 0.000 1.039 122 D CA 0.701 54.663 54.000 -0.064 0.000 0.866 122 D CB -1.066 39.698 40.800 -0.060 0.000 0.913 122 D HN 0.402 nan 8.370 nan 0.000 0.523 123 c N -0.963 117.525 118.600 -0.187 0.000 2.422 123 c HA 0.027 4.599 4.570 0.003 0.000 0.279 123 c C 2.354 176.352 174.090 -0.153 0.000 1.305 123 c CA -0.104 56.098 56.329 -0.213 0.000 1.757 123 c CB -1.541 40.780 42.510 -0.315 0.000 1.962 123 c HN 0.245 nan 8.230 nan 0.000 0.499 124 L N 2.988 124.130 121.223 -0.135 0.000 1.994 124 L HA -0.090 4.252 4.340 0.003 0.000 0.208 124 L C 3.102 179.968 176.870 -0.007 0.000 1.071 124 L CA 2.731 57.547 54.840 -0.040 0.000 0.745 124 L CB -0.905 41.170 42.059 0.027 0.000 0.892 124 L HN 0.621 nan 8.230 nan 0.000 0.431 125 S N -0.944 114.752 115.700 -0.006 0.000 2.400 125 S HA -0.214 4.258 4.470 0.003 0.000 0.232 125 S C 1.997 176.601 174.600 0.007 0.000 1.025 125 S CA 1.128 59.334 58.200 0.010 0.000 0.993 125 S CB -0.579 62.625 63.200 0.008 0.000 0.808 125 S HN 0.474 nan 8.310 nan 0.000 0.478 126 R N 0.852 121.340 120.500 -0.019 0.000 2.246 126 R HA 0.289 4.631 4.340 0.003 0.000 0.199 126 R C 1.589 177.891 176.300 0.003 0.000 0.984 126 R CA 0.435 56.524 56.100 -0.018 0.000 1.015 126 R CB -0.315 29.946 30.300 -0.064 0.000 0.930 126 R HN 0.564 nan 8.270 nan 0.000 0.475 127 G N 2.445 111.247 108.800 0.004 0.000 2.137 127 G HA2 -0.236 3.726 3.960 0.003 0.000 0.237 127 G HA3 -0.236 3.726 3.960 0.003 0.000 0.237 127 G C -0.161 174.752 174.900 0.022 0.000 1.002 127 G CA 0.524 45.639 45.100 0.025 0.000 0.702 127 G HN 0.542 nan 8.290 nan 0.000 0.515 128 D N -0.688 119.720 120.400 0.013 0.000 2.650 128 D HA 0.292 4.934 4.640 0.003 0.000 0.265 128 D C 0.853 177.205 176.300 0.087 0.000 1.339 128 D CA -0.259 53.784 54.000 0.072 0.000 0.816 128 D CB -0.971 39.909 40.800 0.134 0.000 1.091 128 D HN 0.273 nan 8.370 nan 0.000 0.483 129 c N 0.652 119.244 118.600 -0.013 0.000 2.703 129 c HA 0.218 4.790 4.570 0.003 0.000 0.411 129 c C 1.338 175.442 174.090 0.023 0.000 1.290 129 c CA -0.747 55.541 56.329 -0.068 0.000 2.054 129 c CB -0.055 42.367 42.510 -0.147 0.000 2.732 129 c HN 0.502 nan 8.230 nan 0.000 0.650 130 c N 2.626 121.253 118.600 0.045 0.000 2.703 130 c HA 0.171 4.743 4.570 0.003 0.000 0.411 130 c C 2.249 176.403 174.090 0.108 0.000 1.290 130 c CA 0.397 56.779 56.329 0.087 0.000 2.054 130 c CB 0.035 42.602 42.510 0.095 0.000 2.732 130 c HN 1.059 nan 8.230 nan 0.000 0.650 131 T N -0.343 114.264 114.554 0.088 0.000 2.962 131 T HA -0.165 4.187 4.350 0.003 0.000 0.270 131 T C 1.027 175.781 174.700 0.090 0.000 1.088 131 T CA 1.659 63.798 62.100 0.066 0.000 1.127 131 T CB -0.416 68.464 68.868 0.020 0.000 0.883 131 T HN 0.834 nan 8.240 nan 0.000 0.493 132 N N 0.200 118.967 118.700 0.111 0.000 2.251 132 N HA 0.007 4.749 4.740 0.003 0.000 0.217 132 N C 1.077 176.626 175.510 0.065 0.000 1.124 132 N CA -0.512 52.589 53.050 0.086 0.000 0.843 132 N CB -0.688 37.872 38.487 0.122 0.000 1.024 132 N HN 0.529 nan 8.380 nan 0.000 0.501 133 Y N 1.644 121.941 120.300 -0.006 0.000 2.097 133 Y HA -0.204 4.347 4.550 0.003 0.000 0.282 133 Y C 2.118 178.000 175.900 -0.029 0.000 1.152 133 Y CA 2.058 60.152 58.100 -0.009 0.000 1.136 133 Y CB -0.205 38.260 38.460 0.007 0.000 0.975 133 Y HN 0.130 nan 8.280 nan 0.000 0.498 134 Q N -0.560 119.105 119.800 -0.226 0.000 2.124 134 Q HA -0.161 4.181 4.340 0.003 0.000 0.202 134 Q C 2.345 178.176 176.000 -0.281 0.000 0.977 134 Q CA 1.939 57.538 55.803 -0.339 0.000 0.850 134 Q CB -0.292 28.375 28.738 -0.118 0.000 0.901 134 Q HN 0.444 nan 8.270 nan 0.000 0.429 135 V N 0.084 119.859 119.914 -0.232 0.000 2.261 135 V HA -0.239 3.883 4.120 0.003 0.000 0.246 135 V C 2.199 178.161 176.094 -0.220 0.000 1.047 135 V CA 1.557 63.694 62.300 -0.273 0.000 1.015 135 V CB -0.481 31.063 31.823 -0.466 0.000 0.642 135 V HN 0.178 nan 8.190 nan 0.000 0.446 136 V N -1.296 118.507 119.914 -0.185 0.000 2.323 136 V HA -0.216 3.906 4.120 0.003 0.000 0.244 136 V C 2.346 178.341 176.094 -0.165 0.000 1.041 136 V CA 2.244 64.466 62.300 -0.131 0.000 1.025 136 V CB -0.351 31.433 31.823 -0.063 0.000 0.656 136 V HN 0.640 nan 8.190 nan 0.000 0.451 137 c N -0.819 117.612 118.600 -0.282 0.000 2.551 137 c HA 0.144 4.716 4.570 0.003 0.000 0.277 137 c C 1.968 175.876 174.090 -0.303 0.000 1.349 137 c CA 0.033 56.173 56.329 -0.316 0.000 1.750 137 c CB -0.512 41.693 42.510 -0.508 0.000 2.058 137 c HN 0.419 nan 8.230 nan 0.000 0.518 138 K N -0.043 120.157 120.400 -0.332 0.000 2.469 138 K HA 0.246 4.567 4.320 0.003 0.000 0.204 138 K C 1.144 177.650 176.600 -0.157 0.000 1.047 138 K CA 0.670 56.820 56.287 -0.229 0.000 1.072 138 K CB 0.471 32.822 32.500 -0.248 0.000 0.863 138 K HN 0.366 nan 8.250 nan 0.000 0.530 139 G N 1.739 110.446 108.800 -0.154 0.000 2.155 139 G HA2 -0.257 3.705 3.960 0.003 0.000 0.257 139 G HA3 -0.257 3.705 3.960 0.003 0.000 0.257 139 G C 0.167 174.997 174.900 -0.117 0.000 0.983 139 G CA 0.337 45.366 45.100 -0.118 0.000 0.676 139 G HN 0.255 nan 8.290 nan 0.000 0.528 140 E N 0.469 120.584 120.200 -0.141 0.000 2.376 140 E HA 0.482 4.834 4.350 0.003 0.000 0.254 140 E C 0.923 177.429 176.600 -0.157 0.000 1.213 140 E CA 0.530 56.853 56.400 -0.129 0.000 0.945 140 E CB 0.927 30.554 29.700 -0.122 0.000 1.057 140 E HN 0.596 nan 8.360 nan 0.000 0.479 141 S N 0.501 116.124 115.700 -0.128 0.000 2.525 141 S HA 0.303 4.775 4.470 0.003 0.000 0.290 141 S C 0.055 174.582 174.600 -0.121 0.000 1.152 141 S CA -0.883 57.244 58.200 -0.122 0.000 1.072 141 S CB 0.857 64.018 63.200 -0.065 0.000 1.027 141 S HN 0.340 nan 8.310 nan 0.000 0.500 142 H N 0.810 119.864 119.070 -0.026 0.000 2.948 142 H HA -0.054 4.503 4.556 0.002 0.000 0.351 142 H C 0.731 176.075 175.328 0.028 0.000 1.079 142 H CA 0.698 56.750 56.048 0.007 0.000 1.407 142 H CB 0.265 30.027 29.762 0.001 0.000 1.373 142 H HN 1.034 nan 8.280 nan 0.000 0.605 143 W N 3.983 125.288 121.300 0.008 0.000 2.342 143 W HA -0.200 4.465 4.660 0.008 0.000 0.297 143 W C 1.940 178.433 176.519 -0.044 0.000 1.213 143 W CA 1.638 58.948 57.345 -0.059 0.000 1.251 143 W CB -0.392 29.008 29.460 -0.100 0.000 1.136 143 W HN 0.404 nan 8.180 nan 0.000 0.526 144 V N 1.242 121.134 119.914 -0.036 0.000 2.759 144 V HA -0.213 3.909 4.120 0.003 0.000 0.256 144 V C 1.474 177.388 176.094 -0.299 0.000 1.080 144 V CA 2.569 64.676 62.300 -0.322 0.000 1.101 144 V CB -0.570 31.202 31.823 -0.085 0.000 0.698 144 V HN 0.073 nan 8.190 nan 0.000 0.477 145 D N -0.189 120.118 120.400 -0.154 0.000 2.347 145 D HA 0.033 4.675 4.640 0.003 0.000 0.213 145 D C 0.364 176.573 176.300 -0.151 0.000 0.985 145 D CA 0.317 54.248 54.000 -0.116 0.000 0.879 145 D CB -0.068 40.717 40.800 -0.024 0.000 0.919 145 D HN 0.515 nan 8.370 nan 0.000 0.526 146 D N 1.650 121.917 120.400 -0.221 0.000 2.345 146 D HA 0.067 4.709 4.640 0.003 0.000 0.247 146 D C 0.179 176.346 176.300 -0.222 0.000 1.108 146 D CA -0.126 53.757 54.000 -0.196 0.000 0.894 146 D CB 0.863 41.552 40.800 -0.185 0.000 1.203 146 D HN -0.108 nan 8.370 nan 0.000 0.430 147 D N 0.393 120.718 120.400 -0.126 0.000 2.449 147 D HA -0.056 4.585 4.640 0.003 0.000 0.236 147 D C 0.218 176.473 176.300 -0.074 0.000 1.149 147 D CA -0.084 53.862 54.000 -0.091 0.000 0.878 147 D CB 0.517 41.293 40.800 -0.041 0.000 1.198 147 D HN 0.264 nan 8.370 nan 0.000 0.446 148 c N 2.908 121.487 118.600 -0.036 0.000 2.648 148 c HA 0.197 4.768 4.570 0.003 0.000 0.415 148 c C 0.300 174.466 174.090 0.128 0.000 1.366 148 c CA -0.077 56.296 56.329 0.073 0.000 1.756 148 c CB -1.066 41.515 42.510 0.119 0.000 2.549 148 c HN 0.560 nan 8.230 nan 0.000 0.597 149 E N 4.033 124.306 120.200 0.123 0.000 2.234 149 E HA 0.273 4.624 4.350 0.003 0.000 0.266 149 E C -0.749 175.784 176.600 -0.111 0.000 0.877 149 E CA -0.420 55.985 56.400 0.010 0.000 0.758 149 E CB 1.207 30.900 29.700 -0.011 0.000 1.170 149 E HN 0.875 nan 8.360 nan 0.000 0.415 150 E N 4.051 123.935 120.200 -0.526 0.000 2.452 150 E HA 0.005 4.357 4.350 0.003 0.000 0.261 150 E C -0.652 175.756 176.600 -0.321 0.000 0.987 150 E CA 0.107 56.019 56.400 -0.813 0.000 0.926 150 E CB 0.512 29.502 29.700 -1.183 0.000 0.934 150 E HN 0.426 nan 8.360 nan 0.000 0.452 151 I N 5.780 126.224 120.570 -0.212 0.000 2.347 151 I HA 0.204 4.376 4.170 0.003 0.000 0.283 151 I C 1.241 177.290 176.117 -0.113 0.000 1.058 151 I CA -0.329 60.888 61.300 -0.138 0.000 1.202 151 I CB 0.932 38.856 38.000 -0.125 0.000 1.386 151 I HN 0.558 nan 8.210 nan 0.000 0.475 152 R N 3.679 124.115 120.500 -0.107 0.000 2.161 152 R HA 0.102 4.444 4.340 0.003 0.000 0.213 152 R C 0.277 176.545 176.300 -0.053 0.000 1.055 152 R CA 0.705 56.758 56.100 -0.077 0.000 0.996 152 R CB 0.491 30.745 30.300 -0.077 0.000 0.901 152 R HN 0.622 nan 8.270 nan 0.000 0.456 153 V N -3.304 116.578 119.914 -0.053 0.000 3.147 153 V HA 0.530 4.652 4.120 0.003 0.000 0.306 153 V C -2.925 173.143 176.094 -0.043 0.000 1.209 153 V CA -3.073 59.204 62.300 -0.039 0.000 1.023 153 V CB 2.073 33.878 31.823 -0.030 0.000 1.059 153 V HN -0.179 nan 8.190 nan 0.000 0.435 154 P HA 0.325 nan 4.420 nan 0.000 0.268 154 P C -0.819 176.455 177.300 -0.044 0.000 1.204 154 P CA 0.282 63.362 63.100 -0.034 0.000 0.768 154 P CB 0.200 31.895 31.700 -0.008 0.000 0.842 155 E N 2.095 122.251 120.200 -0.073 0.000 2.173 155 E HA 0.321 4.672 4.350 0.003 0.000 0.249 155 E C -0.850 175.683 176.600 -0.111 0.000 0.923 155 E CA -0.436 55.916 56.400 -0.080 0.000 0.754 155 E CB 0.239 29.882 29.700 -0.095 0.000 1.177 155 E HN 0.368 nan 8.360 nan 0.000 0.430 156 c N 3.004 121.548 118.600 -0.092 0.000 2.435 156 c HA 0.528 5.100 4.570 0.003 0.000 0.333 156 c C -1.832 172.191 174.090 -0.111 0.000 1.202 156 c CA -1.620 54.605 56.329 -0.174 0.000 1.830 156 c CB 0.773 43.223 42.510 -0.101 0.000 2.326 156 c HN 0.593 nan 8.230 nan 0.000 0.507 157 P HA 0.303 nan 4.420 nan 0.000 0.274 157 P C -0.658 176.743 177.300 0.169 0.000 1.260 157 P CA -0.186 62.910 63.100 -0.006 0.000 0.793 157 P CB 0.305 31.998 31.700 -0.011 0.000 1.048 158 A N 0.575 123.487 122.820 0.153 0.000 2.546 158 A HA 0.404 4.726 4.320 0.003 0.000 0.243 158 A C 1.410 179.127 177.584 0.221 0.000 1.063 158 A CA 0.861 52.990 52.037 0.153 0.000 0.757 158 A CB -1.521 17.541 19.000 0.102 0.000 0.991 158 A HN 0.893 nan 8.150 nan 0.000 0.503 159 G N 1.342 110.246 108.800 0.175 0.000 2.213 159 G HA2 -0.211 3.751 3.960 0.003 0.000 0.226 159 G HA3 -0.211 3.751 3.960 0.003 0.000 0.226 159 G C 0.051 174.981 174.900 0.050 0.000 0.992 159 G CA 0.053 45.212 45.100 0.098 0.000 0.632 159 G HN 0.687 nan 8.290 nan 0.000 0.511 160 F N 1.202 121.178 119.950 0.043 0.000 2.445 160 F HA 0.462 4.992 4.527 0.005 0.000 0.359 160 F C 1.613 177.436 175.800 0.038 0.000 1.101 160 F CA -0.166 57.862 58.000 0.048 0.000 1.177 160 F CB 1.767 40.798 39.000 0.052 0.000 1.110 160 F HN -0.075 nan 8.300 nan 0.000 0.522 161 V N 2.330 122.323 119.914 0.132 0.000 3.307 161 V HA 0.266 4.388 4.120 0.003 0.000 0.253 161 V C 0.972 177.126 176.094 0.100 0.000 1.149 161 V CA 0.790 63.145 62.300 0.091 0.000 1.112 161 V CB -0.847 31.000 31.823 0.039 0.000 0.777 161 V HN 0.678 nan 8.190 nan 0.000 0.464 162 R N 0.741 121.323 120.500 0.137 0.000 2.739 162 R HA 0.714 5.056 4.340 0.003 0.000 0.271 162 R C -3.262 173.147 176.300 0.182 0.000 1.010 162 R CA -1.599 54.574 56.100 0.122 0.000 0.897 162 R CB -0.293 30.058 30.300 0.084 0.000 1.236 162 R HN 0.109 nan 8.270 nan 0.000 0.466 163 P HA 0.284 nan 4.420 nan 0.000 0.271 163 P C -2.611 174.807 177.300 0.196 0.000 1.226 163 P CA -1.199 61.992 63.100 0.152 0.000 0.765 163 P CB 0.480 32.231 31.700 0.085 0.000 0.835 164 P HA 0.124 nan 4.420 nan 0.000 0.270 164 P C -0.597 176.869 177.300 0.276 0.000 1.223 164 P CA -0.103 63.190 63.100 0.321 0.000 0.785 164 P CB 0.326 32.274 31.700 0.413 0.000 0.923 165 L N 3.006 124.420 121.223 0.318 0.000 2.313 165 L HA 0.520 4.861 4.340 0.003 0.000 0.283 165 L C -1.116 175.975 176.870 0.369 0.000 1.013 165 L CA -0.228 54.792 54.840 0.299 0.000 0.816 165 L CB 0.611 42.824 42.059 0.258 0.000 1.236 165 L HN 0.225 nan 8.230 nan 0.000 0.419 166 I N 6.437 127.193 120.570 0.310 0.000 2.389 166 I HA 0.376 4.547 4.170 0.003 0.000 0.288 166 I C -0.715 175.567 176.117 0.274 0.000 0.999 166 I CA -0.524 60.956 61.300 0.301 0.000 1.129 166 I CB 1.724 39.849 38.000 0.208 0.000 1.288 166 I HN 0.519 nan 8.210 nan 0.000 0.444 167 I N 6.234 126.954 120.570 0.248 0.000 2.304 167 I HA 0.221 4.393 4.170 0.003 0.000 0.291 167 I C -0.621 175.637 176.117 0.236 0.000 1.018 167 I CA -0.303 61.136 61.300 0.232 0.000 1.260 167 I CB 0.900 39.018 38.000 0.197 0.000 1.390 167 I HN 0.403 nan 8.210 nan 0.000 0.475 168 F N 7.087 127.101 119.950 0.107 0.000 2.293 168 F HA 0.405 4.935 4.527 0.005 0.000 0.370 168 F C 0.437 176.220 175.800 -0.028 0.000 1.090 168 F CA -0.589 57.483 58.000 0.119 0.000 1.133 168 F CB 0.745 39.803 39.000 0.098 0.000 1.360 168 F HN 0.466 nan 8.300 nan 0.000 0.489 169 S N 4.958 120.656 115.700 -0.003 0.000 2.508 169 S HA 0.818 5.290 4.470 0.003 0.000 0.284 169 S C -0.653 173.857 174.600 -0.149 0.000 1.192 169 S CA -0.613 57.562 58.200 -0.042 0.000 1.070 169 S CB 1.552 64.810 63.200 0.096 0.000 1.004 169 S HN 0.624 nan 8.310 nan 0.000 0.493 170 V N -0.446 119.359 119.914 -0.182 0.000 2.604 170 V HA 0.579 4.700 4.120 0.003 0.000 0.305 170 V C -0.607 175.452 176.094 -0.058 0.000 1.043 170 V CA -0.900 61.324 62.300 -0.127 0.000 0.888 170 V CB 1.693 33.492 31.823 -0.040 0.000 0.995 170 V HN 0.916 nan 8.190 nan 0.000 0.429 171 D N 3.005 123.361 120.400 -0.074 0.000 2.264 171 D HA 0.461 5.103 4.640 0.003 0.000 0.250 171 D C 1.196 177.458 176.300 -0.064 0.000 1.113 171 D CA 1.403 55.384 54.000 -0.032 0.000 0.871 171 D CB 1.545 42.405 40.800 0.101 0.000 1.167 171 D HN 1.438 nan 8.370 nan 0.000 0.447 172 G N 3.602 112.174 108.800 -0.379 0.000 2.179 172 G HA2 -0.308 3.654 3.960 0.003 0.000 0.257 172 G HA3 -0.308 3.654 3.960 0.003 0.000 0.257 172 G C 0.248 175.134 174.900 -0.023 0.000 1.010 172 G CA -0.097 44.833 45.100 -0.284 0.000 0.736 172 G HN 0.481 nan 8.290 nan 0.000 0.513 173 F N 2.337 122.225 119.950 -0.103 0.000 2.464 173 F HA 0.458 4.986 4.527 0.003 0.000 0.353 173 F C 1.229 176.938 175.800 -0.151 0.000 1.191 173 F CA -1.048 56.975 58.000 0.038 0.000 1.147 173 F CB 0.237 39.276 39.000 0.065 0.000 1.294 173 F HN 0.231 nan 8.300 nan 0.000 0.583 174 R N 3.697 123.891 120.500 -0.511 0.000 2.570 174 R HA 0.188 4.529 4.340 0.003 0.000 0.277 174 R C 1.314 177.463 176.300 -0.253 0.000 1.039 174 R CA 0.514 56.261 56.100 -0.589 0.000 1.065 174 R CB 0.920 30.511 30.300 -1.182 0.000 0.964 174 R HN 0.821 nan 8.270 nan 0.000 0.428 175 A N 2.777 125.578 122.820 -0.032 0.000 1.940 175 A HA -0.212 4.109 4.320 0.003 0.000 0.219 175 A C 1.993 179.656 177.584 0.132 0.000 1.176 175 A CA 2.064 54.186 52.037 0.142 0.000 0.631 175 A CB -0.622 18.475 19.000 0.161 0.000 0.814 175 A HN 0.895 nan 8.150 nan 0.000 0.446 176 S N -1.658 114.044 115.700 0.003 0.000 2.474 176 S HA -0.126 4.345 4.470 0.003 0.000 0.235 176 S C 1.658 176.355 174.600 0.162 0.000 0.997 176 S CA 0.967 59.213 58.200 0.077 0.000 0.949 176 S CB -0.707 62.535 63.200 0.069 0.000 0.766 176 S HN 0.512 nan 8.310 nan 0.000 0.517 177 Y N 1.744 122.062 120.300 0.031 0.000 2.333 177 Y HA 0.092 4.643 4.550 0.002 0.000 0.290 177 Y C 2.426 178.379 175.900 0.087 0.000 1.144 177 Y CA -0.006 58.057 58.100 -0.061 0.000 1.228 177 Y CB -0.793 37.402 38.460 -0.441 0.000 0.985 177 Y HN 0.269 nan 8.280 nan 0.000 0.542 178 M N -0.114 119.711 119.600 0.376 0.000 2.279 178 M HA -0.186 4.295 4.480 0.003 0.000 0.264 178 M C 1.742 178.141 176.300 0.165 0.000 1.062 178 M CA 1.258 56.737 55.300 0.299 0.000 1.099 178 M CB -0.851 31.904 32.600 0.259 0.000 1.394 178 M HN 0.200 nan 8.290 nan 0.000 0.426 179 K N 0.226 120.721 120.400 0.157 0.000 2.360 179 K HA -0.125 4.196 4.320 0.003 0.000 0.201 179 K C 1.794 178.443 176.600 0.082 0.000 1.046 179 K CA 0.754 57.106 56.287 0.108 0.000 0.945 179 K CB -0.029 32.541 32.500 0.117 0.000 0.750 179 K HN 0.418 nan 8.250 nan 0.000 0.464 180 K N 0.334 120.788 120.400 0.089 0.000 2.211 180 K HA -0.044 4.278 4.320 0.003 0.000 0.203 180 K C 1.149 177.763 176.600 0.023 0.000 1.050 180 K CA 0.622 56.937 56.287 0.047 0.000 0.945 180 K CB -0.112 32.403 32.500 0.025 0.000 0.732 180 K HN 0.299 nan 8.250 nan 0.000 0.451 181 G N 0.912 109.728 108.800 0.027 0.000 2.645 181 G HA2 -0.352 3.610 3.960 0.003 0.000 0.246 181 G HA3 -0.352 3.610 3.960 0.003 0.000 0.246 181 G C 0.712 175.595 174.900 -0.028 0.000 1.322 181 G CA 0.308 45.404 45.100 -0.007 0.000 0.898 181 G HN 0.283 nan 8.290 nan 0.000 0.573 182 S N -0.447 115.225 115.700 -0.046 0.000 2.474 182 S HA -0.002 4.470 4.470 0.003 0.000 0.235 182 S C 1.899 176.468 174.600 -0.051 0.000 0.997 182 S CA 1.706 59.870 58.200 -0.060 0.000 0.949 182 S CB -0.072 63.085 63.200 -0.072 0.000 0.766 182 S HN 0.753 nan 8.310 nan 0.000 0.517 183 K N 0.470 120.847 120.400 -0.038 0.000 2.147 183 K HA 0.019 4.341 4.320 0.003 0.000 0.205 183 K C 1.543 178.120 176.600 -0.039 0.000 1.049 183 K CA 1.423 57.689 56.287 -0.036 0.000 0.936 183 K CB -0.106 32.378 32.500 -0.027 0.000 0.722 183 K HN 0.344 nan 8.250 nan 0.000 0.446 184 V N -0.282 119.611 119.914 -0.036 0.000 3.151 184 V HA 0.104 4.226 4.120 0.003 0.000 0.241 184 V C 0.810 176.881 176.094 -0.039 0.000 1.173 184 V CA 0.521 62.798 62.300 -0.038 0.000 1.154 184 V CB 0.296 32.096 31.823 -0.038 0.000 0.898 184 V HN 0.196 nan 8.190 nan 0.000 0.473 185 M N 1.421 120.998 119.600 -0.038 0.000 2.693 185 M HA 0.293 4.774 4.480 0.003 0.000 0.224 185 M C -2.084 174.164 176.300 -0.087 0.000 1.149 185 M CA -1.276 53.993 55.300 -0.050 0.000 0.622 185 M CB 2.008 34.602 32.600 -0.009 0.000 1.443 185 M HN 0.027 nan 8.290 nan 0.000 0.431 186 P HA -0.148 nan 4.420 nan 0.000 0.216 186 P C 0.672 177.905 177.300 -0.112 0.000 1.153 186 P CA 1.590 64.629 63.100 -0.102 0.000 0.848 186 P CB 0.037 31.678 31.700 -0.099 0.000 0.787 187 N N 0.085 118.730 118.700 -0.092 0.000 2.084 187 N HA -0.088 4.654 4.740 0.003 0.000 0.190 187 N C 2.050 177.481 175.510 -0.132 0.000 1.030 187 N CA 1.144 54.185 53.050 -0.015 0.000 0.849 187 N CB -0.522 37.941 38.487 -0.041 0.000 1.012 187 N HN 0.195 nan 8.380 nan 0.000 0.423 188 I N 1.304 121.700 120.570 -0.289 0.000 2.226 188 I HA -0.235 3.937 4.170 0.003 0.000 0.245 188 I C 2.494 178.414 176.117 -0.329 0.000 1.100 188 I CA 1.045 62.056 61.300 -0.482 0.000 1.374 188 I CB -0.177 37.466 38.000 -0.594 0.000 1.057 188 I HN 0.080 nan 8.210 nan 0.000 0.413 189 E N 1.546 121.620 120.200 -0.209 0.000 2.153 189 E HA -0.272 4.080 4.350 0.003 0.000 0.194 189 E C 2.061 178.563 176.600 -0.163 0.000 0.988 189 E CA 1.536 57.836 56.400 -0.166 0.000 0.811 189 E CB -0.140 29.488 29.700 -0.120 0.000 0.746 189 E HN 0.317 nan 8.360 nan 0.000 0.466 190 K N -0.096 120.208 120.400 -0.159 0.000 2.025 190 K HA -0.094 4.228 4.320 0.003 0.000 0.207 190 K C 2.171 178.715 176.600 -0.093 0.000 1.049 190 K CA 1.285 57.474 56.287 -0.163 0.000 0.933 190 K CB -0.206 32.095 32.500 -0.331 0.000 0.714 190 K HN 0.198 nan 8.250 nan 0.000 0.438 191 L N 0.717 121.871 121.223 -0.114 0.000 2.043 191 L HA -0.218 4.123 4.340 0.003 0.000 0.212 191 L C 2.934 179.761 176.870 -0.072 0.000 1.075 191 L CA 1.533 56.264 54.840 -0.181 0.000 0.752 191 L CB -0.492 41.350 42.059 -0.361 0.000 0.891 191 L HN 0.300 nan 8.230 nan 0.000 0.432 192 R N 0.125 120.527 120.500 -0.164 0.000 2.062 192 R HA -0.149 4.192 4.340 0.003 0.000 0.229 192 R C 2.600 178.802 176.300 -0.163 0.000 1.128 192 R CA 1.823 57.817 56.100 -0.177 0.000 0.960 192 R CB -0.147 30.000 30.300 -0.255 0.000 0.855 192 R HN 0.454 nan 8.270 nan 0.000 0.432 193 S N -0.696 114.913 115.700 -0.152 0.000 2.406 193 S HA -0.134 4.337 4.470 0.003 0.000 0.228 193 S C 2.276 176.832 174.600 -0.073 0.000 1.020 193 S CA 0.946 59.068 58.200 -0.131 0.000 0.965 193 S CB -0.589 62.538 63.200 -0.123 0.000 0.798 193 S HN 0.528 nan 8.310 nan 0.000 0.488 194 c N 1.536 120.141 118.600 0.009 0.000 2.512 194 c HA 0.489 5.061 4.570 0.003 0.000 0.276 194 c C 1.895 176.058 174.090 0.122 0.000 1.368 194 c CA 0.106 56.477 56.329 0.069 0.000 1.755 194 c CB -1.422 41.260 42.510 0.286 0.000 2.008 194 c HN 0.690 nan 8.230 nan 0.000 0.511 195 G N -0.196 108.733 108.800 0.215 0.000 2.882 195 G HA2 0.449 4.411 3.960 0.003 0.000 0.164 195 G HA3 0.449 4.411 3.960 0.003 0.000 0.164 195 G C -0.769 174.207 174.900 0.127 0.000 1.429 195 G CA 0.182 45.394 45.100 0.187 0.000 1.059 195 G HN 0.340 nan 8.290 nan 0.000 0.581 196 T N 0.807 115.421 114.554 0.099 0.000 2.779 196 T HA 0.543 4.895 4.350 0.003 0.000 0.280 196 T C -0.753 174.042 174.700 0.159 0.000 0.987 196 T CA -0.310 61.878 62.100 0.147 0.000 0.966 196 T CB 0.979 69.968 68.868 0.202 0.000 0.933 196 T HN 0.707 nan 8.240 nan 0.000 0.442 197 H N 0.358 119.494 119.070 0.111 0.000 2.851 197 H HA 0.799 5.356 4.556 0.002 0.000 0.372 197 H C -1.296 174.176 175.328 0.241 0.000 1.158 197 H CA -1.139 54.994 56.048 0.142 0.000 1.159 197 H CB 1.357 31.150 29.762 0.052 0.000 1.757 197 H HN 0.668 nan 8.280 nan 0.000 0.546 198 A N 2.846 125.808 122.820 0.237 0.000 2.282 198 A HA 0.456 4.778 4.320 0.003 0.000 0.319 198 A C -1.710 175.931 177.584 0.096 0.000 1.121 198 A CA -1.780 50.300 52.037 0.072 0.000 0.836 198 A CB 0.779 19.841 19.000 0.102 0.000 1.146 198 A HN 0.677 nan 8.150 nan 0.000 0.494 199 P HA -0.012 nan 4.420 nan 0.000 0.221 199 P C -0.421 177.042 177.300 0.272 0.000 1.150 199 P CA 1.626 64.826 63.100 0.168 0.000 0.800 199 P CB -0.221 31.547 31.700 0.112 0.000 0.787 200 Y N -4.118 116.220 120.300 0.063 0.000 2.702 200 Y HA 0.642 5.194 4.550 0.003 0.000 0.336 200 Y C -1.096 174.734 175.900 -0.117 0.000 1.203 200 Y CA -1.722 56.388 58.100 0.017 0.000 1.072 200 Y CB 0.513 38.985 38.460 0.020 0.000 1.327 200 Y HN -0.282 nan 8.280 nan 0.000 0.456 201 M N 2.933 122.554 119.600 0.035 0.000 2.393 201 M HA 0.528 5.010 4.480 0.003 0.000 0.316 201 M C -1.138 175.177 176.300 0.025 0.000 1.087 201 M CA -0.862 54.295 55.300 -0.238 0.000 0.937 201 M CB 2.003 34.396 32.600 -0.345 0.000 1.668 201 M HN 0.924 nan 8.290 nan 0.000 0.438 202 R N 6.254 126.762 120.500 0.014 0.000 2.265 202 R HA 0.493 4.834 4.340 0.003 0.000 0.314 202 R C -2.521 173.842 176.300 0.106 0.000 1.053 202 R CA -1.286 54.883 56.100 0.115 0.000 0.931 202 R CB 0.842 31.220 30.300 0.129 0.000 1.024 202 R HN 0.389 nan 8.270 nan 0.000 0.457 203 P HA 0.050 nan 4.420 nan 0.000 0.279 203 P C -0.551 176.860 177.300 0.185 0.000 1.282 203 P CA -0.381 62.816 63.100 0.162 0.000 0.788 203 P CB 0.671 32.483 31.700 0.187 0.000 1.139 204 V N -2.825 117.211 119.914 0.204 0.000 2.973 204 V HA 0.420 4.542 4.120 0.003 0.000 0.314 204 V C -0.277 175.938 176.094 0.201 0.000 1.066 204 V CA -1.048 61.392 62.300 0.233 0.000 1.021 204 V CB 0.646 32.627 31.823 0.263 0.000 1.076 204 V HN 0.470 nan 8.190 nan 0.000 0.462 205 Y N 3.754 124.079 120.300 0.042 0.000 2.308 205 Y HA 0.619 5.171 4.550 0.003 0.000 0.329 205 Y C -2.212 173.552 175.900 -0.226 0.000 1.111 205 Y CA -2.253 55.786 58.100 -0.101 0.000 1.179 205 Y CB 1.789 40.139 38.460 -0.182 0.000 1.201 205 Y HN 0.572 nan 8.280 nan 0.000 0.483 206 P HA 0.053 nan 4.420 nan 0.000 0.275 206 P C -0.555 176.537 177.300 -0.346 0.000 1.228 206 P CA -0.324 62.095 63.100 -1.135 0.000 0.786 206 P CB 0.812 31.947 31.700 -0.943 0.000 0.927 207 T N -0.006 114.437 114.554 -0.185 0.000 4.309 207 T HA 0.205 4.557 4.350 0.003 0.000 0.242 207 T C 0.349 175.022 174.700 -0.045 0.000 1.142 207 T CA -0.355 61.751 62.100 0.010 0.000 1.042 207 T CB -0.724 68.219 68.868 0.124 0.000 1.366 207 T HN 0.187 nan 8.240 nan 0.000 0.942 208 K N 0.373 120.763 120.400 -0.017 0.000 2.313 208 K HA 0.447 4.769 4.320 0.003 0.000 0.235 208 K C 1.095 177.850 176.600 0.257 0.000 1.035 208 K CA -0.873 55.445 56.287 0.052 0.000 0.868 208 K CB 1.217 33.724 32.500 0.011 0.000 1.232 208 K HN 0.046 nan 8.250 nan 0.000 0.459 209 T N 0.805 115.595 114.554 0.393 0.000 2.668 209 T HA -0.088 4.264 4.350 0.003 0.000 0.262 209 T C 1.742 176.742 174.700 0.499 0.000 1.045 209 T CA 1.530 63.939 62.100 0.515 0.000 1.152 209 T CB -0.277 68.930 68.868 0.566 0.000 0.864 209 T HN 0.316 nan 8.240 nan 0.000 0.419 210 F N 1.511 121.586 119.950 0.209 0.000 2.095 210 F HA 0.038 4.567 4.527 0.003 0.000 0.298 210 F C -0.584 175.345 175.800 0.215 0.000 1.104 210 F CA 0.481 58.605 58.000 0.207 0.000 1.232 210 F CB -1.901 37.207 39.000 0.180 0.000 0.987 210 F HN 0.193 nan 8.300 nan 0.000 0.475 211 P HA -0.141 nan 4.420 nan 0.000 0.216 211 P C 1.383 178.899 177.300 0.360 0.000 1.150 211 P CA 1.581 64.900 63.100 0.366 0.000 0.837 211 P CB -0.007 31.837 31.700 0.239 0.000 0.786 212 N N -0.913 117.969 118.700 0.302 0.000 2.207 212 N HA -0.012 4.729 4.740 0.003 0.000 0.182 212 N C 1.768 177.419 175.510 0.235 0.000 1.020 212 N CA 0.951 54.162 53.050 0.269 0.000 0.858 212 N CB -0.489 38.162 38.487 0.273 0.000 0.991 212 N HN 0.155 nan 8.380 nan 0.000 0.427 213 L N -0.212 121.150 121.223 0.232 0.000 2.046 213 L HA -0.195 4.146 4.340 0.003 0.000 0.208 213 L C 2.308 179.310 176.870 0.220 0.000 1.077 213 L CA 1.285 56.242 54.840 0.195 0.000 0.747 213 L CB -0.554 41.575 42.059 0.116 0.000 0.896 213 L HN 0.215 nan 8.230 nan 0.000 0.432 214 Y N 0.258 120.572 120.300 0.024 0.000 2.314 214 Y HA -0.234 4.318 4.550 0.003 0.000 0.293 214 Y C 2.710 178.484 175.900 -0.211 0.000 1.129 214 Y CA 1.366 59.396 58.100 -0.116 0.000 1.201 214 Y CB 0.125 38.438 38.460 -0.245 0.000 0.999 214 Y HN 0.084 nan 8.280 nan 0.000 0.541 215 T N 0.983 115.527 114.554 -0.017 0.000 2.708 215 T HA -0.217 4.135 4.350 0.003 0.000 0.266 215 T C 1.870 176.567 174.700 -0.005 0.000 1.037 215 T CA 1.680 63.819 62.100 0.065 0.000 1.146 215 T CB -0.475 68.535 68.868 0.236 0.000 0.865 215 T HN 0.284 nan 8.240 nan 0.000 0.435 216 L N 0.698 121.969 121.223 0.081 0.000 2.043 216 L HA -0.162 4.180 4.340 0.003 0.000 0.212 216 L C 2.903 179.837 176.870 0.106 0.000 1.075 216 L CA 1.445 56.360 54.840 0.125 0.000 0.752 216 L CB -0.561 41.609 42.059 0.185 0.000 0.891 216 L HN 0.241 nan 8.230 nan 0.000 0.432 217 A N -0.863 121.980 122.820 0.039 0.000 2.066 217 A HA -0.118 4.204 4.320 0.003 0.000 0.218 217 A C 2.182 179.586 177.584 -0.299 0.000 1.157 217 A CA 1.823 53.850 52.037 -0.017 0.000 0.670 217 A CB -0.504 18.518 19.000 0.037 0.000 0.804 217 A HN 0.538 nan 8.150 nan 0.000 0.453 218 T N -6.407 107.829 114.554 -0.529 0.000 2.958 218 T HA 0.413 4.765 4.350 0.003 0.000 0.256 218 T C 1.412 175.507 174.700 -1.008 0.000 0.983 218 T CA 1.090 62.643 62.100 -0.912 0.000 0.924 218 T CB 0.148 68.500 68.868 -0.860 0.000 1.136 218 T HN 1.597 nan 8.240 nan 0.000 0.506 219 G N 1.698 110.202 108.800 -0.493 0.000 2.168 219 G HA2 -0.214 3.747 3.960 0.003 0.000 0.257 219 G HA3 -0.214 3.747 3.960 0.003 0.000 0.257 219 G C -0.117 174.576 174.900 -0.345 0.000 0.997 219 G CA 0.586 45.495 45.100 -0.318 0.000 0.708 219 G HN 0.659 nan 8.290 nan 0.000 0.520 220 L N -0.587 120.465 121.223 -0.286 0.000 2.331 220 L HA 0.603 4.945 4.340 0.003 0.000 0.275 220 L C 0.644 177.418 176.870 -0.161 0.000 1.022 220 L CA -1.676 53.018 54.840 -0.243 0.000 0.812 220 L CB 0.941 42.926 42.059 -0.123 0.000 1.257 220 L HN 0.055 nan 8.230 nan 0.000 0.435 221 Y N 2.017 122.258 120.300 -0.098 0.000 2.578 221 Y HA 0.022 4.574 4.550 0.003 0.000 0.339 221 Y C -1.383 174.289 175.900 -0.380 0.000 1.231 221 Y CA -1.496 56.533 58.100 -0.118 0.000 1.461 221 Y CB -0.225 38.184 38.460 -0.087 0.000 1.323 221 Y HN 0.439 nan 8.280 nan 0.000 0.590 222 P HA -0.249 nan 4.420 nan 0.000 0.217 222 P C 1.119 178.205 177.300 -0.356 0.000 1.151 222 P CA 2.341 65.043 63.100 -0.664 0.000 0.849 222 P CB 0.098 31.794 31.700 -0.007 0.000 0.787 223 E N -1.248 118.890 120.200 -0.102 0.000 2.265 223 E HA -0.106 4.246 4.350 0.003 0.000 0.196 223 E C 1.500 178.048 176.600 -0.087 0.000 0.996 223 E CA 1.275 57.614 56.400 -0.103 0.000 0.832 223 E CB -0.662 28.995 29.700 -0.071 0.000 0.756 223 E HN 0.143 nan 8.360 nan 0.000 0.491 224 S N 0.521 116.172 115.700 -0.082 0.000 2.427 224 S HA -0.041 4.431 4.470 0.003 0.000 0.224 224 S C 1.621 176.220 174.600 -0.001 0.000 1.047 224 S CA 0.672 58.846 58.200 -0.043 0.000 0.953 224 S CB -0.162 63.025 63.200 -0.021 0.000 0.824 224 S HN 0.674 nan 8.310 nan 0.000 0.502 225 H N 0.162 119.255 119.070 0.037 0.000 2.529 225 H HA 0.357 4.915 4.556 0.003 0.000 0.277 225 H C 1.439 176.852 175.328 0.141 0.000 0.999 225 H CA 0.998 57.104 56.048 0.097 0.000 1.256 225 H CB -0.669 29.143 29.762 0.084 0.000 1.402 225 H HN 0.390 nan 8.280 nan 0.000 0.566 226 G N 0.460 109.355 108.800 0.158 0.000 2.217 226 G HA2 -0.237 3.725 3.960 0.003 0.000 0.246 226 G HA3 -0.237 3.725 3.960 0.003 0.000 0.246 226 G C 0.110 175.014 174.900 0.006 0.000 0.990 226 G CA 0.149 45.289 45.100 0.067 0.000 0.627 226 G HN 0.327 nan 8.290 nan 0.000 0.522 227 I N 3.314 124.000 120.570 0.193 0.000 2.206 227 I HA 0.244 4.415 4.170 0.003 0.000 0.292 227 I C 1.921 178.071 176.117 0.055 0.000 1.156 227 I CA 0.017 61.258 61.300 -0.098 0.000 1.356 227 I CB 0.137 38.042 38.000 -0.158 0.000 1.494 227 I HN 0.321 nan 8.210 nan 0.000 0.601 228 V N 2.028 121.912 119.914 -0.049 0.000 3.541 228 V HA 0.541 4.662 4.120 0.003 0.000 0.267 228 V C 0.791 176.951 176.094 0.109 0.000 1.213 228 V CA 0.572 62.922 62.300 0.083 0.000 1.149 228 V CB -0.198 31.630 31.823 0.007 0.000 0.822 228 V HN 0.589 nan 8.190 nan 0.000 0.462 229 G N -0.729 108.054 108.800 -0.029 0.000 2.623 229 G HA2 0.340 4.302 3.960 0.003 0.000 0.290 229 G HA3 0.340 4.302 3.960 0.003 0.000 0.290 229 G C -0.403 174.457 174.900 -0.067 0.000 1.437 229 G CA -0.195 44.885 45.100 -0.032 0.000 0.798 229 G HN -0.092 nan 8.290 nan 0.000 0.488 230 N N -0.361 118.319 118.700 -0.033 0.000 2.223 230 N HA 0.003 4.745 4.740 0.003 0.000 0.185 230 N C 0.686 176.174 175.510 -0.036 0.000 1.016 230 N CA 1.067 54.071 53.050 -0.077 0.000 0.863 230 N CB 0.118 38.537 38.487 -0.114 0.000 0.983 230 N HN 0.323 nan 8.380 nan 0.000 0.429 231 S N -0.028 115.648 115.700 -0.040 0.000 2.526 231 S HA 0.723 5.195 4.470 0.003 0.000 0.293 231 S C -0.387 174.154 174.600 -0.099 0.000 1.092 231 S CA -0.740 57.434 58.200 -0.044 0.000 0.980 231 S CB 1.972 65.191 63.200 0.031 0.000 1.048 231 S HN 0.114 nan 8.310 nan 0.000 0.483 232 M N 2.068 121.575 119.600 -0.154 0.000 2.534 232 M HA 0.505 4.987 4.480 0.003 0.000 0.280 232 M C -1.903 174.422 176.300 0.042 0.000 1.217 232 M CA -0.980 54.273 55.300 -0.079 0.000 0.893 232 M CB 1.573 34.085 32.600 -0.147 0.000 1.730 232 M HN 0.582 nan 8.290 nan 0.000 0.483 233 Y N 1.134 121.435 120.300 0.001 0.000 2.335 233 Y HA 0.509 5.060 4.550 0.003 0.000 0.338 233 Y C -1.255 174.705 175.900 0.100 0.000 0.977 233 Y CA -0.470 57.676 58.100 0.076 0.000 1.114 233 Y CB 1.190 39.661 38.460 0.017 0.000 1.182 233 Y HN 0.747 nan 8.280 nan 0.000 0.463 234 D N 8.675 128.811 120.400 -0.439 0.000 2.373 234 D HA 0.241 4.882 4.640 0.003 0.000 0.227 234 D C -2.038 173.706 176.300 -0.927 0.000 1.091 234 D CA -2.219 51.415 54.000 -0.611 0.000 0.840 234 D CB 2.272 42.604 40.800 -0.780 0.000 1.060 234 D HN 0.379 nan 8.370 nan 0.000 0.502 235 P HA -0.090 nan 4.420 nan 0.000 0.223 235 P C 1.481 178.622 177.300 -0.264 0.000 1.151 235 P CA 0.329 63.184 63.100 -0.409 0.000 0.787 235 P CB 0.679 32.315 31.700 -0.108 0.000 0.788 236 V N -1.027 118.683 119.914 -0.340 0.000 2.446 236 V HA -0.127 3.995 4.120 0.003 0.000 0.244 236 V C 2.271 178.318 176.094 -0.079 0.000 1.039 236 V CA 1.431 63.599 62.300 -0.219 0.000 1.045 236 V CB -1.335 30.328 31.823 -0.267 0.000 0.681 236 V HN -0.090 nan 8.190 nan 0.000 0.459 237 F N 0.230 120.027 119.950 -0.255 0.000 2.407 237 F HA 0.084 4.613 4.527 0.003 0.000 0.299 237 F C 1.388 177.104 175.800 -0.140 0.000 1.097 237 F CA 0.466 58.328 58.000 -0.230 0.000 1.422 237 F CB -1.088 37.698 39.000 -0.356 0.000 1.067 237 F HN 0.318 nan 8.300 nan 0.000 0.539 238 D N 0.179 120.566 120.400 -0.023 0.000 2.697 238 D HA -0.090 4.552 4.640 0.003 0.000 0.235 238 D C -0.342 176.072 176.300 0.190 0.000 1.167 238 D CA 0.758 54.794 54.000 0.060 0.000 0.656 238 D CB -0.818 40.070 40.800 0.147 0.000 1.025 238 D HN 0.404 nan 8.370 nan 0.000 0.419 239 A N 0.086 122.999 122.820 0.155 0.000 2.556 239 A HA 0.812 5.133 4.320 0.003 0.000 0.294 239 A C -0.273 177.593 177.584 0.470 0.000 1.091 239 A CA -0.402 51.843 52.037 0.347 0.000 0.704 239 A CB 1.991 21.220 19.000 0.381 0.000 1.300 239 A HN 0.151 nan 8.150 nan 0.000 0.406 240 T N 1.055 115.855 114.554 0.410 0.000 2.824 240 T HA 0.549 4.901 4.350 0.003 0.000 0.282 240 T C -1.060 173.592 174.700 -0.080 0.000 0.993 240 T CA -0.045 62.180 62.100 0.208 0.000 0.967 240 T CB 0.772 69.705 68.868 0.109 0.000 0.960 240 T HN 0.535 nan 8.240 nan 0.000 0.441 241 F N 4.185 123.749 119.950 -0.643 0.000 2.420 241 F HA 0.544 5.073 4.527 0.003 0.000 0.342 241 F C -0.170 175.135 175.800 -0.825 0.000 1.113 241 F CA -0.496 56.930 58.000 -0.957 0.000 1.059 241 F CB 0.717 38.680 39.000 -1.727 0.000 1.128 241 F HN 0.528 nan 8.300 nan 0.000 0.475 242 H N 6.660 125.402 119.070 -0.548 0.000 2.768 242 H HA 0.211 4.769 4.556 0.003 0.000 0.371 242 H C 0.556 175.495 175.328 -0.648 0.000 1.151 242 H CA -0.586 55.221 56.048 -0.401 0.000 1.165 242 H CB 2.465 32.071 29.762 -0.261 0.000 1.722 242 H HN 0.847 nan 8.280 nan 0.000 0.543 243 L N 1.299 122.282 121.223 -0.402 0.000 2.127 243 L HA -0.092 4.250 4.340 0.003 0.000 0.211 243 L C 1.147 177.789 176.870 -0.379 0.000 1.089 243 L CA 1.335 55.766 54.840 -0.683 0.000 0.757 243 L CB -0.175 41.495 42.059 -0.649 0.000 0.899 243 L HN 0.615 nan 8.230 nan 0.000 0.434 244 R N 0.057 120.424 120.500 -0.221 0.000 2.474 244 R HA 0.629 4.971 4.340 0.003 0.000 0.295 244 R C 0.256 176.492 176.300 -0.107 0.000 0.980 244 R CA 0.001 56.030 56.100 -0.119 0.000 0.934 244 R CB 0.273 30.522 30.300 -0.085 0.000 1.101 244 R HN 0.593 nan 8.270 nan 0.000 0.469 245 G N -1.319 107.455 108.800 -0.043 0.000 2.462 245 G HA2 0.394 4.356 3.960 0.003 0.000 0.685 245 G HA3 0.394 4.356 3.960 0.003 0.000 0.685 245 G C 0.531 175.450 174.900 0.031 0.000 1.295 245 G CA 0.451 45.543 45.100 -0.013 0.000 0.941 245 G HN 1.581 nan 8.290 nan 0.000 0.554 246 R N -0.477 120.065 120.500 0.070 0.000 2.223 246 R HA 0.429 4.771 4.340 0.003 0.000 0.198 246 R C 2.094 178.484 176.300 0.150 0.000 0.984 246 R CA 1.872 58.092 56.100 0.200 0.000 1.018 246 R CB -0.779 29.575 30.300 0.090 0.000 0.945 246 R HN 0.957 nan 8.270 nan 0.000 0.479 247 E N 2.312 122.522 120.200 0.018 0.000 2.171 247 E HA -0.234 4.118 4.350 0.003 0.000 0.197 247 E C 1.917 178.494 176.600 -0.038 0.000 0.997 247 E CA 2.167 58.596 56.400 0.048 0.000 0.810 247 E CB -0.139 29.577 29.700 0.026 0.000 0.738 247 E HN 0.773 nan 8.360 nan 0.000 0.467 248 K N -0.897 119.240 120.400 -0.438 0.000 2.280 248 K HA -0.126 4.196 4.320 0.003 0.000 0.202 248 K C 1.657 178.280 176.600 0.039 0.000 1.047 248 K CA 1.347 57.291 56.287 -0.572 0.000 0.942 248 K CB -0.498 31.419 32.500 -0.971 0.000 0.739 248 K HN 0.089 nan 8.250 nan 0.000 0.457 249 F N 1.919 121.930 119.950 0.103 0.000 2.451 249 F HA -0.011 4.517 4.527 0.003 0.000 0.299 249 F C 1.032 177.027 175.800 0.325 0.000 1.101 249 F CA 0.031 58.104 58.000 0.120 0.000 1.436 249 F CB -0.552 38.378 39.000 -0.116 0.000 1.074 249 F HN 0.106 nan 8.300 nan 0.000 0.553 250 N N 0.704 119.719 118.700 0.525 0.000 2.468 250 N HA -0.091 4.651 4.740 0.003 0.000 0.265 250 N C 1.068 177.000 175.510 0.704 0.000 1.199 250 N CA 0.485 53.837 53.050 0.505 0.000 0.928 250 N CB 0.176 38.898 38.487 0.392 0.000 1.059 250 N HN 0.386 nan 8.380 nan 0.000 0.467 251 H N 2.813 122.081 119.070 0.330 0.000 2.521 251 H HA -0.078 4.479 4.556 0.003 0.000 0.286 251 H C 1.486 177.017 175.328 0.338 0.000 1.034 251 H CA 0.555 56.818 56.048 0.359 0.000 1.278 251 H CB 0.668 30.541 29.762 0.185 0.000 1.386 251 H HN 0.638 nan 8.280 nan 0.000 0.567 252 R N 0.469 121.112 120.500 0.239 0.000 2.193 252 R HA -0.154 4.188 4.340 0.003 0.000 0.229 252 R C 1.107 177.439 176.300 0.053 0.000 1.110 252 R CA 1.348 57.438 56.100 -0.016 0.000 0.988 252 R CB -0.611 29.391 30.300 -0.496 0.000 0.871 252 R HN 0.338 nan 8.270 nan 0.000 0.458 253 W N 0.299 121.726 121.300 0.212 0.000 2.518 253 W HA 0.098 4.759 4.660 0.003 0.000 0.273 253 W C -0.022 176.377 176.519 -0.200 0.000 1.247 253 W CA -0.358 56.973 57.345 -0.022 0.000 1.288 253 W CB -0.010 29.289 29.460 -0.268 0.000 1.107 253 W HN 0.009 nan 8.180 nan 0.000 0.586 254 W N 1.276 122.709 121.300 0.222 0.000 2.283 254 W HA 0.568 5.230 4.660 0.003 0.000 0.317 254 W C 0.611 177.224 176.519 0.156 0.000 1.042 254 W CA -0.845 56.534 57.345 0.057 0.000 1.348 254 W CB 0.227 29.595 29.460 -0.154 0.000 1.216 254 W HN -0.257 nan 8.180 nan 0.000 0.404 255 G N 1.107 110.153 108.800 0.410 0.000 2.568 255 G HA2 0.650 4.612 3.960 0.003 0.000 0.293 255 G HA3 0.650 4.612 3.960 0.003 0.000 0.293 255 G C 0.517 175.561 174.900 0.240 0.000 1.347 255 G CA 0.008 45.274 45.100 0.276 0.000 1.039 255 G HN 0.931 nan 8.290 nan 0.000 0.523 256 G N -1.200 107.641 108.800 0.068 0.000 2.601 256 G HA2 -0.086 3.876 3.960 0.003 0.000 0.252 256 G HA3 -0.086 3.876 3.960 0.003 0.000 0.252 256 G C 0.008 174.827 174.900 -0.134 0.000 1.294 256 G CA 0.587 45.638 45.100 -0.082 0.000 0.912 256 G HN 1.059 nan 8.290 nan 0.000 0.574 257 Q N 0.547 120.174 119.800 -0.288 0.000 2.414 257 Q HA 0.473 4.815 4.340 0.003 0.000 0.256 257 Q C -2.581 173.123 176.000 -0.493 0.000 0.974 257 Q CA -1.822 53.798 55.803 -0.306 0.000 0.723 257 Q CB 2.386 31.004 28.738 -0.200 0.000 1.281 257 Q HN 0.571 nan 8.270 nan 0.000 0.470 258 P HA -0.030 nan 4.420 nan 0.000 0.272 258 P C 0.671 177.484 177.300 -0.812 0.000 1.230 258 P CA -0.357 62.146 63.100 -0.995 0.000 0.788 258 P CB 1.096 31.741 31.700 -1.758 0.000 0.949 259 L N 2.298 123.239 121.223 -0.469 0.000 2.043 259 L HA -0.157 4.184 4.340 0.003 0.000 0.212 259 L C 2.344 179.022 176.870 -0.321 0.000 1.075 259 L CA 1.997 56.733 54.840 -0.174 0.000 0.752 259 L CB -1.444 40.636 42.059 0.035 0.000 0.891 259 L HN 0.579 nan 8.230 nan 0.000 0.432 260 W N -1.224 119.774 121.300 -0.504 0.000 2.374 260 W HA -0.110 4.552 4.660 0.002 0.000 0.288 260 W C 1.935 178.280 176.519 -0.291 0.000 1.218 260 W CA 0.577 57.579 57.345 -0.572 0.000 1.245 260 W CB -0.913 28.035 29.460 -0.852 0.000 1.126 260 W HN -0.003 nan 8.180 nan 0.000 0.545 261 I N 1.325 121.614 120.570 -0.468 0.000 2.286 261 I HA -0.188 3.983 4.170 0.003 0.000 0.245 261 I C 2.276 178.287 176.117 -0.175 0.000 1.104 261 I CA 1.739 62.884 61.300 -0.259 0.000 1.397 261 I CB -1.849 35.952 38.000 -0.332 0.000 1.072 261 I HN 0.074 nan 8.210 nan 0.000 0.417 262 T N 1.711 116.148 114.554 -0.194 0.000 2.684 262 T HA -0.168 4.184 4.350 0.003 0.000 0.267 262 T C 2.096 176.740 174.700 -0.093 0.000 1.036 262 T CA 1.744 63.779 62.100 -0.107 0.000 1.148 262 T CB -0.359 68.472 68.868 -0.062 0.000 0.863 262 T HN 0.440 nan 8.240 nan 0.000 0.436 263 A N 1.429 124.189 122.820 -0.100 0.000 1.858 263 A HA -0.149 4.172 4.320 0.003 0.000 0.216 263 A C 2.604 180.153 177.584 -0.058 0.000 1.190 263 A CA 2.242 54.237 52.037 -0.070 0.000 0.617 263 A CB -1.402 17.565 19.000 -0.055 0.000 0.827 263 A HN 0.472 nan 8.150 nan 0.000 0.443 264 T N 0.058 114.577 114.554 -0.059 0.000 2.684 264 T HA -0.157 4.195 4.350 0.003 0.000 0.267 264 T C 1.901 176.575 174.700 -0.043 0.000 1.036 264 T CA 1.787 63.859 62.100 -0.047 0.000 1.148 264 T CB -0.244 68.604 68.868 -0.033 0.000 0.863 264 T HN 0.515 nan 8.240 nan 0.000 0.436 265 K N 0.786 121.157 120.400 -0.047 0.000 2.209 265 K HA -0.033 4.289 4.320 0.003 0.000 0.204 265 K C 1.905 178.485 176.600 -0.033 0.000 1.048 265 K CA 0.979 57.242 56.287 -0.039 0.000 0.940 265 K CB -0.036 32.439 32.500 -0.042 0.000 0.729 265 K HN 0.442 nan 8.250 nan 0.000 0.451 266 Q N -0.455 119.322 119.800 -0.037 0.000 2.212 266 Q HA 0.114 4.456 4.340 0.003 0.000 0.213 266 Q C 0.275 176.259 176.000 -0.028 0.000 0.874 266 Q CA 0.115 55.900 55.803 -0.030 0.000 0.965 266 Q CB 1.028 29.746 28.738 -0.033 0.000 1.074 266 Q HN 0.443 nan 8.270 nan 0.000 0.473 267 G N 0.469 109.250 108.800 -0.031 0.000 2.160 267 G HA2 -0.245 3.717 3.960 0.003 0.000 0.251 267 G HA3 -0.245 3.717 3.960 0.003 0.000 0.251 267 G C -0.044 174.837 174.900 -0.032 0.000 1.008 267 G CA 0.069 45.151 45.100 -0.030 0.000 0.724 267 G HN 0.258 nan 8.290 nan 0.000 0.514 268 V N 0.510 120.403 119.914 -0.036 0.000 2.417 268 V HA 0.541 4.662 4.120 0.003 0.000 0.291 268 V C 0.794 176.857 176.094 -0.051 0.000 1.024 268 V CA -0.913 61.365 62.300 -0.035 0.000 0.861 268 V CB 1.647 33.455 31.823 -0.025 0.000 0.985 268 V HN 0.475 nan 8.190 nan 0.000 0.436 269 R N 3.290 123.751 120.500 -0.066 0.000 2.357 269 R HA 0.697 5.039 4.340 0.003 0.000 0.296 269 R C -0.220 175.998 176.300 -0.136 0.000 1.052 269 R CA -0.123 55.916 56.100 -0.102 0.000 0.988 269 R CB 1.067 31.295 30.300 -0.120 0.000 1.025 269 R HN 0.846 nan 8.270 nan 0.000 0.469 270 A N 2.826 125.560 122.820 -0.145 0.000 2.337 270 A HA 0.609 4.931 4.320 0.003 0.000 0.329 270 A C 0.047 177.473 177.584 -0.262 0.000 1.146 270 A CA -0.479 51.484 52.037 -0.123 0.000 0.800 270 A CB 1.559 20.550 19.000 -0.015 0.000 1.220 270 A HN 0.887 nan 8.150 nan 0.000 0.472 271 G N -0.196 108.390 108.800 -0.357 0.000 2.611 271 G HA2 0.426 4.388 3.960 0.003 0.000 0.273 271 G HA3 0.426 4.388 3.960 0.003 0.000 0.273 271 G C 0.424 175.212 174.900 -0.185 0.000 1.305 271 G CA 0.321 45.091 45.100 -0.550 0.000 1.010 271 G HN 0.857 nan 8.290 nan 0.000 0.509 272 T N -1.021 113.386 114.554 -0.245 0.000 2.926 272 T HA 0.210 4.561 4.350 0.003 0.000 0.307 272 T C 0.042 174.668 174.700 -0.122 0.000 1.059 272 T CA 0.098 62.075 62.100 -0.205 0.000 1.122 272 T CB -0.020 68.600 68.868 -0.413 0.000 0.972 272 T HN 0.220 nan 8.240 nan 0.000 0.545 273 F N 3.618 123.249 119.950 -0.532 0.000 2.683 273 F HA 0.434 4.962 4.527 0.003 0.000 0.306 273 F C -0.277 175.263 175.800 -0.434 0.000 1.102 273 F CA -0.866 56.844 58.000 -0.483 0.000 1.244 273 F CB 0.227 38.791 39.000 -0.725 0.000 1.029 273 F HN 0.466 nan 8.300 nan 0.000 0.545 274 F N -0.571 119.076 119.950 -0.504 0.000 2.556 274 F HA 0.582 5.111 4.527 0.003 0.000 0.314 274 F C -1.741 173.769 175.800 -0.483 0.000 1.106 274 F CA -1.515 56.250 58.000 -0.390 0.000 0.911 274 F CB 1.124 39.957 39.000 -0.279 0.000 1.190 274 F HN -0.096 nan 8.300 nan 0.000 0.448 275 W N 4.162 124.908 121.300 -0.924 0.000 2.600 275 W HA 0.561 5.222 4.660 0.003 0.000 0.325 275 W C -0.200 175.713 176.519 -1.010 0.000 1.034 275 W CA -0.925 55.987 57.345 -0.721 0.000 1.226 275 W CB 2.086 31.314 29.460 -0.388 0.000 1.379 275 W HN 0.438 nan 8.180 nan 0.000 0.466 276 S N 1.380 116.847 115.700 -0.388 0.000 2.558 276 S HA -0.050 4.422 4.470 0.003 0.000 0.288 276 S C 1.342 175.958 174.600 0.026 0.000 1.318 276 S CA -0.320 57.816 58.200 -0.107 0.000 1.056 276 S CB 0.774 64.068 63.200 0.157 0.000 0.853 276 S HN 0.543 nan 8.310 nan 0.000 0.505 277 V N 2.013 121.978 119.914 0.085 0.000 2.568 277 V HA -0.136 3.986 4.120 0.003 0.000 0.253 277 V C 2.065 178.213 176.094 0.089 0.000 1.072 277 V CA 1.851 64.213 62.300 0.102 0.000 1.084 277 V CB -1.438 30.461 31.823 0.126 0.000 0.676 277 V HN 0.933 nan 8.190 nan 0.000 0.469 278 S N 0.100 115.868 115.700 0.114 0.000 2.561 278 S HA 0.215 4.687 4.470 0.003 0.000 0.225 278 S C 0.730 175.398 174.600 0.113 0.000 0.977 278 S CA 0.122 58.387 58.200 0.109 0.000 0.926 278 S CB -0.880 62.400 63.200 0.133 0.000 0.769 278 S HN 0.624 nan 8.310 nan 0.000 0.533 279 I N 3.958 124.603 120.570 0.125 0.000 2.312 279 I HA 0.331 4.503 4.170 0.003 0.000 0.291 279 I C -2.265 173.854 176.117 0.005 0.000 1.031 279 I CA -2.692 58.679 61.300 0.118 0.000 1.293 279 I CB 1.106 39.235 38.000 0.215 0.000 1.403 279 I HN 0.045 nan 8.210 nan 0.000 0.484 280 P HA 0.020 nan 4.420 nan 0.000 0.269 280 P C 0.363 177.531 177.300 -0.221 0.000 1.215 280 P CA 0.178 63.179 63.100 -0.164 0.000 0.780 280 P CB 0.564 32.152 31.700 -0.186 0.000 0.898 281 H N 0.668 119.532 119.070 -0.343 0.000 2.387 281 H HA -0.175 4.383 4.556 0.003 0.000 0.299 281 H C 1.542 176.610 175.328 -0.434 0.000 1.099 281 H CA 1.265 57.139 56.048 -0.291 0.000 1.315 281 H CB 0.106 29.796 29.762 -0.120 0.000 1.380 281 H HN 0.520 nan 8.280 nan 0.000 0.513 282 E N 0.421 120.266 120.200 -0.591 0.000 2.110 282 E HA -0.175 4.177 4.350 0.003 0.000 0.193 282 E C 2.238 178.390 176.600 -0.747 0.000 0.988 282 E CA 0.860 56.731 56.400 -0.881 0.000 0.804 282 E CB 0.029 28.603 29.700 -1.876 0.000 0.745 282 E HN 0.198 nan 8.360 nan 0.000 0.458 283 R N 1.061 121.117 120.500 -0.738 0.000 2.090 283 R HA 0.029 4.370 4.340 0.003 0.000 0.228 283 R C 1.829 177.855 176.300 -0.457 0.000 1.110 283 R CA 1.316 57.190 56.100 -0.378 0.000 0.973 283 R CB -0.046 30.170 30.300 -0.140 0.000 0.869 283 R HN 0.051 nan 8.270 nan 0.000 0.440 284 R N -0.003 120.142 120.500 -0.591 0.000 2.083 284 R HA -0.076 4.266 4.340 0.003 0.000 0.237 284 R C 2.084 178.011 176.300 -0.622 0.000 1.137 284 R CA 1.580 57.088 56.100 -0.987 0.000 0.951 284 R CB -0.501 29.028 30.300 -1.284 0.000 0.851 284 R HN 0.186 nan 8.270 nan 0.000 0.434 285 I N 1.191 121.510 120.570 -0.420 0.000 2.179 285 I HA -0.234 3.938 4.170 0.003 0.000 0.242 285 I C 2.387 178.345 176.117 -0.265 0.000 1.088 285 I CA 1.438 62.543 61.300 -0.324 0.000 1.357 285 I CB -0.961 36.844 38.000 -0.323 0.000 1.051 285 I HN 0.199 nan 8.210 nan 0.000 0.409 286 L N 0.080 121.152 121.223 -0.251 0.000 2.079 286 L HA -0.226 4.116 4.340 0.003 0.000 0.210 286 L C 2.532 179.255 176.870 -0.244 0.000 1.081 286 L CA 1.464 56.202 54.840 -0.170 0.000 0.752 286 L CB -0.888 41.128 42.059 -0.072 0.000 0.896 286 L HN 0.243 nan 8.230 nan 0.000 0.433 287 T N -0.007 114.303 114.554 -0.406 0.000 2.777 287 T HA -0.125 4.227 4.350 0.003 0.000 0.266 287 T C 1.913 176.180 174.700 -0.720 0.000 1.040 287 T CA 1.245 62.939 62.100 -0.677 0.000 1.141 287 T CB -0.158 68.137 68.868 -0.955 0.000 0.868 287 T HN 0.182 nan 8.240 nan 0.000 0.444 288 I N 0.700 121.040 120.570 -0.384 0.000 2.226 288 I HA -0.146 4.025 4.170 0.003 0.000 0.245 288 I C 2.202 178.283 176.117 -0.059 0.000 1.100 288 I CA 1.218 62.487 61.300 -0.053 0.000 1.374 288 I CB -0.326 37.700 38.000 0.044 0.000 1.057 288 I HN 0.199 nan 8.210 nan 0.000 0.413 289 L N 0.195 121.347 121.223 -0.118 0.000 2.093 289 L HA -0.256 4.086 4.340 0.003 0.000 0.208 289 L C 3.211 180.084 176.870 0.005 0.000 1.085 289 L CA 1.671 56.472 54.840 -0.064 0.000 0.755 289 L CB -1.110 40.906 42.059 -0.071 0.000 0.904 289 L HN 0.352 nan 8.230 nan 0.000 0.435 290 Q N -0.415 119.363 119.800 -0.036 0.000 2.084 290 Q HA -0.255 4.086 4.340 0.003 0.000 0.202 290 Q C 1.807 177.923 176.000 0.195 0.000 0.978 290 Q CA 1.914 57.737 55.803 0.033 0.000 0.844 290 Q CB -1.260 27.457 28.738 -0.035 0.000 0.898 290 Q HN 0.544 nan 8.270 nan 0.000 0.426 291 W N 0.286 121.682 121.300 0.161 0.000 2.342 291 W HA -0.021 4.640 4.660 0.002 0.000 0.297 291 W C 1.991 178.648 176.519 0.231 0.000 1.213 291 W CA 0.868 58.353 57.345 0.234 0.000 1.251 291 W CB -0.942 28.755 29.460 0.395 0.000 1.136 291 W HN 0.378 nan 8.180 nan 0.000 0.526 292 L N 0.049 121.495 121.223 0.372 0.000 2.362 292 L HA -0.126 4.216 4.340 0.003 0.000 0.219 292 L C 1.959 178.999 176.870 0.283 0.000 1.134 292 L CA 0.900 55.910 54.840 0.283 0.000 0.807 292 L CB -0.570 41.551 42.059 0.103 0.000 0.927 292 L HN -0.209 nan 8.230 nan 0.000 0.447 293 S N -0.539 115.296 115.700 0.225 0.000 2.575 293 S HA 0.201 4.673 4.470 0.003 0.000 0.215 293 S C 0.827 175.527 174.600 0.167 0.000 0.966 293 S CA -0.188 58.122 58.200 0.184 0.000 0.911 293 S CB -0.018 63.260 63.200 0.131 0.000 0.780 293 S HN 0.160 nan 8.310 nan 0.000 0.514 294 L N 2.185 123.521 121.223 0.189 0.000 2.473 294 L HA 0.198 4.539 4.340 0.003 0.000 0.268 294 L C -2.156 174.764 176.870 0.083 0.000 1.215 294 L CA -1.968 52.960 54.840 0.147 0.000 0.823 294 L CB -0.257 41.906 42.059 0.173 0.000 1.099 294 L HN -0.055 nan 8.230 nan 0.000 0.483 295 P HA -0.058 nan 4.420 nan 0.000 0.266 295 P C -0.087 177.204 177.300 -0.014 0.000 1.193 295 P CA 0.002 63.117 63.100 0.026 0.000 0.770 295 P CB 0.401 32.117 31.700 0.027 0.000 0.836 296 D N 1.750 122.125 120.400 -0.042 0.000 2.172 296 D HA -0.193 4.448 4.640 0.003 0.000 0.196 296 D C 1.307 177.564 176.300 -0.071 0.000 0.999 296 D CA 1.516 55.459 54.000 -0.093 0.000 0.856 296 D CB -0.422 40.336 40.800 -0.072 0.000 0.934 296 D HN 0.515 nan 8.370 nan 0.000 0.453 297 N N 0.130 118.807 118.700 -0.038 0.000 2.398 297 N HA -0.072 4.670 4.740 0.003 0.000 0.188 297 N C 0.882 176.374 175.510 -0.030 0.000 1.122 297 N CA 0.408 53.440 53.050 -0.032 0.000 0.866 297 N CB 0.005 38.481 38.487 -0.019 0.000 0.970 297 N HN 0.260 nan 8.380 nan 0.000 0.462 298 E N -0.517 119.669 120.200 -0.023 0.000 2.453 298 E HA 0.118 4.470 4.350 0.003 0.000 0.211 298 E C 0.117 176.699 176.600 -0.029 0.000 0.897 298 E CA -0.447 55.941 56.400 -0.019 0.000 1.063 298 E CB 0.848 30.557 29.700 0.014 0.000 1.080 298 E HN 0.179 nan 8.360 nan 0.000 0.512 299 R N 2.752 123.241 120.500 -0.020 0.000 2.449 299 R HA 0.096 4.438 4.340 0.003 0.000 0.296 299 R C -2.431 173.864 176.300 -0.009 0.000 1.047 299 R CA -1.464 54.649 56.100 0.022 0.000 1.018 299 R CB 0.338 30.622 30.300 -0.026 0.000 0.962 299 R HN -0.174 nan 8.270 nan 0.000 0.428 300 P HA 0.104 nan 4.420 nan 0.000 0.274 300 P C -0.428 176.842 177.300 -0.050 0.000 1.246 300 P CA -0.233 62.754 63.100 -0.189 0.000 0.795 300 P CB 1.089 32.438 31.700 -0.584 0.000 1.006 301 S N -0.755 114.902 115.700 -0.072 0.000 2.492 301 S HA 0.132 4.604 4.470 0.003 0.000 0.218 301 S C 0.560 175.243 174.600 0.138 0.000 1.016 301 S CA 0.007 58.262 58.200 0.092 0.000 0.916 301 S CB 0.242 63.478 63.200 0.060 0.000 0.791 301 S HN 0.343 nan 8.310 nan 0.000 0.513 302 V N 1.390 121.266 119.914 -0.065 0.000 2.656 302 V HA 0.664 4.786 4.120 0.003 0.000 0.307 302 V C -2.141 173.882 176.094 -0.118 0.000 1.051 302 V CA -0.775 61.589 62.300 0.108 0.000 0.893 302 V CB 1.631 33.599 31.823 0.241 0.000 0.999 302 V HN 0.341 nan 8.190 nan 0.000 0.426 303 Y N 3.634 124.061 120.300 0.210 0.000 2.553 303 Y HA 0.861 5.413 4.550 0.003 0.000 0.347 303 Y C 0.154 176.000 175.900 -0.091 0.000 1.019 303 Y CA -0.418 57.764 58.100 0.137 0.000 1.032 303 Y CB 2.508 41.113 38.460 0.242 0.000 1.284 303 Y HN 0.846 nan 8.280 nan 0.000 0.466 304 A N 2.343 125.116 122.820 -0.079 0.000 2.422 304 A HA 0.749 5.070 4.320 0.003 0.000 0.302 304 A C -2.137 175.588 177.584 0.235 0.000 1.041 304 A CA -0.563 51.358 52.037 -0.193 0.000 0.708 304 A CB 0.968 19.416 19.000 -0.921 0.000 1.257 304 A HN 0.643 nan 8.150 nan 0.000 0.414 305 F N 2.052 121.981 119.950 -0.036 0.000 2.546 305 F HA 0.752 5.282 4.527 0.004 0.000 0.320 305 F C -1.332 174.293 175.800 -0.292 0.000 1.076 305 F CA -0.874 56.981 58.000 -0.242 0.000 0.928 305 F CB 1.666 40.289 39.000 -0.627 0.000 1.189 305 F HN 0.651 nan 8.300 nan 0.000 0.465 306 Y N 3.811 123.243 120.300 -1.447 0.000 2.442 306 Y HA 0.581 5.132 4.550 0.003 0.000 0.344 306 Y C -1.374 173.686 175.900 -1.400 0.000 0.976 306 Y CA -0.709 56.795 58.100 -0.993 0.000 1.040 306 Y CB 1.814 40.035 38.460 -0.398 0.000 1.228 306 Y HN 0.639 nan 8.280 nan 0.000 0.451 307 S N 4.215 118.989 115.700 -1.544 0.000 2.500 307 S HA 0.257 4.729 4.470 0.003 0.000 0.301 307 S C 0.350 174.296 174.600 -1.091 0.000 1.092 307 S CA -0.574 56.945 58.200 -1.134 0.000 1.030 307 S CB 0.951 63.912 63.200 -0.398 0.000 1.031 307 S HN 0.847 nan 8.310 nan 0.000 0.483 308 E N 3.526 123.400 120.200 -0.543 0.000 2.481 308 E HA 0.051 4.403 4.350 0.003 0.000 0.195 308 E C -0.184 176.449 176.600 0.056 0.000 1.047 308 E CA 0.376 56.692 56.400 -0.140 0.000 0.867 308 E CB 0.083 29.868 29.700 0.143 0.000 0.858 308 E HN 0.552 nan 8.360 nan 0.000 0.513 309 Q N 1.125 120.959 119.800 0.057 0.000 2.215 309 Q HA 0.259 4.601 4.340 0.003 0.000 0.256 309 Q C -1.952 174.137 176.000 0.148 0.000 0.972 309 Q CA -2.073 53.818 55.803 0.147 0.000 0.889 309 Q CB 1.774 30.612 28.738 0.166 0.000 1.281 309 Q HN 0.018 nan 8.270 nan 0.000 0.456 310 P HA 0.007 nan 4.420 nan 0.000 0.256 310 P C 0.219 177.611 177.300 0.153 0.000 1.384 310 P CA 0.356 63.533 63.100 0.128 0.000 0.879 310 P CB 0.361 32.061 31.700 -0.000 0.000 1.403 311 D N -0.038 120.467 120.400 0.175 0.000 2.104 311 D HA -0.229 4.413 4.640 0.003 0.000 0.194 311 D C 1.592 178.057 176.300 0.276 0.000 0.994 311 D CA 1.109 55.226 54.000 0.196 0.000 0.830 311 D CB -0.630 40.334 40.800 0.274 0.000 0.959 311 D HN 0.028 nan 8.370 nan 0.000 0.452 312 F N 0.734 120.816 119.950 0.220 0.000 2.069 312 F HA -0.201 4.327 4.527 0.003 0.000 0.298 312 F C 2.416 178.317 175.800 0.167 0.000 1.113 312 F CA 1.808 59.941 58.000 0.222 0.000 1.214 312 F CB -0.474 38.612 39.000 0.143 0.000 0.978 312 F HN -0.094 nan 8.300 nan 0.000 0.474 313 S N 0.170 116.034 115.700 0.273 0.000 2.402 313 S HA -0.055 4.417 4.470 0.003 0.000 0.229 313 S C 2.250 176.902 174.600 0.087 0.000 1.021 313 S CA 0.877 59.194 58.200 0.194 0.000 0.974 313 S CB -1.037 62.368 63.200 0.342 0.000 0.800 313 S HN 0.644 nan 8.310 nan 0.000 0.484 314 G N 1.721 110.552 108.800 0.053 0.000 2.440 314 G HA2 -0.247 3.715 3.960 0.003 0.000 0.218 314 G HA3 -0.247 3.715 3.960 0.003 0.000 0.218 314 G C 1.197 176.056 174.900 -0.069 0.000 1.154 314 G CA 0.779 45.880 45.100 0.003 0.000 0.767 314 G HN 0.493 nan 8.290 nan 0.000 0.552 315 H N 0.396 119.450 119.070 -0.028 0.000 2.319 315 H HA -0.058 4.499 4.556 0.003 0.000 0.299 315 H C 2.478 177.720 175.328 -0.143 0.000 1.092 315 H CA 1.669 57.677 56.048 -0.066 0.000 1.302 315 H CB -0.076 29.605 29.762 -0.136 0.000 1.373 315 H HN 0.423 nan 8.280 nan 0.000 0.497 316 K N 0.122 120.362 120.400 -0.268 0.000 2.057 316 K HA -0.136 4.185 4.320 0.003 0.000 0.206 316 K C 1.067 177.379 176.600 -0.480 0.000 1.050 316 K CA 1.361 57.340 56.287 -0.513 0.000 0.935 316 K CB 0.137 32.068 32.500 -0.950 0.000 0.715 316 K HN 0.181 nan 8.250 nan 0.000 0.439 317 Y N -0.554 119.735 120.300 -0.019 0.000 2.430 317 Y HA 0.323 4.875 4.550 0.003 0.000 0.248 317 Y C 0.686 176.587 175.900 0.001 0.000 1.108 317 Y CA 0.127 58.222 58.100 -0.009 0.000 1.264 317 Y CB 1.074 39.527 38.460 -0.012 0.000 1.172 317 Y HN 0.259 nan 8.280 nan 0.000 0.520 318 G N 1.354 110.223 108.800 0.115 0.000 2.758 318 G HA2 -0.182 3.780 3.960 0.003 0.000 0.686 318 G HA3 -0.182 3.780 3.960 0.003 0.000 0.686 318 G C -2.061 172.860 174.900 0.036 0.000 1.389 318 G CA -0.461 44.684 45.100 0.075 0.000 0.845 318 G HN 0.026 nan 8.290 nan 0.000 0.572 319 P HA 0.091 nan 4.420 nan 0.000 0.225 319 P C 1.166 178.295 177.300 -0.285 0.000 1.156 319 P CA 1.150 64.133 63.100 -0.196 0.000 0.787 319 P CB 0.026 31.426 31.700 -0.499 0.000 0.802 320 F N 0.109 120.122 119.950 0.105 0.000 2.664 320 F HA 0.363 4.891 4.527 0.002 0.000 0.303 320 F C 1.760 177.574 175.800 0.023 0.000 1.092 320 F CA -0.710 57.328 58.000 0.064 0.000 1.305 320 F CB -0.738 38.290 39.000 0.047 0.000 1.054 320 F HN -0.177 nan 8.300 nan 0.000 0.565 321 G N 1.951 110.828 108.800 0.128 0.000 2.441 321 G HA2 0.183 4.145 3.960 0.003 0.000 0.243 321 G HA3 0.183 4.145 3.960 0.003 0.000 0.243 321 G C -1.355 173.531 174.900 -0.024 0.000 1.281 321 G CA -0.814 44.322 45.100 0.061 0.000 0.854 321 G HN 0.004 nan 8.290 nan 0.000 0.560 322 P HA -0.048 nan 4.420 nan 0.000 0.223 322 P C 0.861 178.057 177.300 -0.173 0.000 1.151 322 P CA 0.869 63.914 63.100 -0.090 0.000 0.787 322 P CB 0.420 32.074 31.700 -0.077 0.000 0.788 323 E N -0.976 119.046 120.200 -0.296 0.000 2.478 323 E HA -0.010 4.342 4.350 0.003 0.000 0.198 323 E C 1.815 178.225 176.600 -0.317 0.000 1.046 323 E CA 0.674 56.772 56.400 -0.503 0.000 0.870 323 E CB -0.619 28.256 29.700 -1.375 0.000 0.818 323 E HN 0.183 nan 8.360 nan 0.000 0.527 324 M N -0.244 119.233 119.600 -0.205 0.000 2.506 324 M HA 0.014 4.496 4.480 0.003 0.000 0.260 324 M C 1.513 177.687 176.300 -0.210 0.000 1.104 324 M CA 1.005 56.189 55.300 -0.194 0.000 1.112 324 M CB -0.730 31.702 32.600 -0.279 0.000 1.401 324 M HN 0.059 nan 8.290 nan 0.000 0.473 325 T N 0.985 115.438 114.554 -0.169 0.000 2.684 325 T HA -0.159 4.193 4.350 0.003 0.000 0.267 325 T C 1.774 176.412 174.700 -0.103 0.000 1.036 325 T CA 1.671 63.690 62.100 -0.134 0.000 1.148 325 T CB -0.413 68.394 68.868 -0.101 0.000 0.863 325 T HN 0.469 nan 8.240 nan 0.000 0.436 326 N N 1.378 120.025 118.700 -0.089 0.000 2.069 326 N HA -0.097 4.645 4.740 0.003 0.000 0.191 326 N C -1.009 174.483 175.510 -0.029 0.000 1.031 326 N CA 1.389 54.407 53.050 -0.053 0.000 0.852 326 N CB -0.634 37.828 38.487 -0.042 0.000 1.018 326 N HN 0.240 nan 8.380 nan 0.000 0.423 327 P HA -0.061 nan 4.420 nan 0.000 0.217 327 P C 1.714 179.021 177.300 0.011 0.000 1.150 327 P CA 0.934 64.044 63.100 0.018 0.000 0.832 327 P CB -0.079 31.642 31.700 0.034 0.000 0.787 328 L N -1.098 120.091 121.223 -0.057 0.000 2.093 328 L HA -0.132 4.209 4.340 0.003 0.000 0.208 328 L C 2.645 179.523 176.870 0.012 0.000 1.085 328 L CA 1.463 56.282 54.840 -0.035 0.000 0.755 328 L CB -0.600 41.365 42.059 -0.157 0.000 0.904 328 L HN -0.080 nan 8.230 nan 0.000 0.435 329 R N 0.029 120.518 120.500 -0.019 0.000 2.081 329 R HA -0.161 4.180 4.340 0.003 0.000 0.235 329 R C 2.149 178.448 176.300 -0.002 0.000 1.131 329 R CA 1.332 57.421 56.100 -0.018 0.000 0.960 329 R CB -0.285 29.995 30.300 -0.033 0.000 0.856 329 R HN 0.469 nan 8.270 nan 0.000 0.436 330 E N 0.680 120.889 120.200 0.014 0.000 2.051 330 E HA -0.185 4.167 4.350 0.003 0.000 0.192 330 E C 2.078 178.719 176.600 0.068 0.000 0.991 330 E CA 1.188 57.605 56.400 0.028 0.000 0.799 330 E CB -0.161 29.557 29.700 0.030 0.000 0.748 330 E HN 0.332 nan 8.360 nan 0.000 0.449 331 I N 1.237 121.882 120.570 0.125 0.000 2.208 331 I HA -0.276 3.895 4.170 0.003 0.000 0.245 331 I C 2.265 178.442 176.117 0.100 0.000 1.097 331 I CA 1.389 62.812 61.300 0.205 0.000 1.363 331 I CB -0.262 37.937 38.000 0.332 0.000 1.051 331 I HN 0.065 nan 8.210 nan 0.000 0.413 332 D N 0.939 121.361 120.400 0.036 0.000 2.117 332 D HA -0.255 4.386 4.640 0.003 0.000 0.197 332 D C 2.191 178.433 176.300 -0.097 0.000 0.987 332 D CA 1.338 55.297 54.000 -0.069 0.000 0.829 332 D CB 0.012 40.774 40.800 -0.064 0.000 0.961 332 D HN 0.144 nan 8.370 nan 0.000 0.460 333 K N -0.707 119.657 120.400 -0.060 0.000 2.097 333 K HA -0.136 4.186 4.320 0.003 0.000 0.206 333 K C 1.808 178.353 176.600 -0.091 0.000 1.049 333 K CA 1.655 57.897 56.287 -0.076 0.000 0.933 333 K CB -0.128 32.341 32.500 -0.051 0.000 0.717 333 K HN 0.065 nan 8.250 nan 0.000 0.442 334 T N 0.534 115.049 114.554 -0.065 0.000 2.746 334 T HA -0.105 4.247 4.350 0.003 0.000 0.267 334 T C 1.828 176.417 174.700 -0.185 0.000 1.039 334 T CA 1.411 63.451 62.100 -0.099 0.000 1.142 334 T CB -0.161 68.703 68.868 -0.006 0.000 0.866 334 T HN 0.014 nan 8.240 nan 0.000 0.444 335 V N 1.491 121.245 119.914 -0.267 0.000 2.392 335 V HA -0.137 3.985 4.120 0.003 0.000 0.249 335 V C 2.817 178.689 176.094 -0.371 0.000 1.059 335 V CA 1.959 63.947 62.300 -0.521 0.000 1.051 335 V CB -1.325 30.079 31.823 -0.698 0.000 0.658 335 V HN 0.611 nan 8.190 nan 0.000 0.455 336 G N -1.182 107.479 108.800 -0.233 0.000 2.402 336 G HA2 -0.247 3.714 3.960 0.003 0.000 0.216 336 G HA3 -0.247 3.714 3.960 0.003 0.000 0.216 336 G C 1.474 176.299 174.900 -0.125 0.000 1.162 336 G CA 0.697 45.712 45.100 -0.143 0.000 0.777 336 G HN 0.536 nan 8.290 nan 0.000 0.539 337 Q N -0.588 119.134 119.800 -0.130 0.000 2.061 337 Q HA -0.105 4.237 4.340 0.003 0.000 0.204 337 Q C 2.490 178.400 176.000 -0.150 0.000 0.984 337 Q CA 1.289 57.028 55.803 -0.106 0.000 0.846 337 Q CB -0.327 28.341 28.738 -0.117 0.000 0.902 337 Q HN 0.417 nan 8.270 nan 0.000 0.421 338 L N 0.219 121.310 121.223 -0.219 0.000 2.012 338 L HA -0.206 4.136 4.340 0.003 0.000 0.210 338 L C 2.092 178.791 176.870 -0.285 0.000 1.073 338 L CA 1.818 56.513 54.840 -0.242 0.000 0.748 338 L CB -0.377 41.529 42.059 -0.255 0.000 0.891 338 L HN 0.235 nan 8.230 nan 0.000 0.431 339 M N -0.888 118.468 119.600 -0.407 0.000 2.175 339 M HA -0.139 4.343 4.480 0.003 0.000 0.264 339 M C 1.972 178.078 176.300 -0.323 0.000 1.063 339 M CA 1.285 56.219 55.300 -0.610 0.000 1.119 339 M CB -1.484 30.375 32.600 -1.236 0.000 1.377 339 M HN 0.244 nan 8.290 nan 0.000 0.415 340 D N 0.357 120.681 120.400 -0.128 0.000 2.117 340 D HA -0.088 4.554 4.640 0.003 0.000 0.197 340 D C 2.102 178.371 176.300 -0.052 0.000 0.987 340 D CA 1.691 55.681 54.000 -0.017 0.000 0.829 340 D CB -0.607 40.234 40.800 0.070 0.000 0.961 340 D HN 0.444 nan 8.370 nan 0.000 0.460 341 G N 0.574 109.331 108.800 -0.072 0.000 2.418 341 G HA2 -0.192 3.769 3.960 0.003 0.000 0.217 341 G HA3 -0.192 3.769 3.960 0.003 0.000 0.217 341 G C 1.771 176.635 174.900 -0.060 0.000 1.158 341 G CA 0.292 45.359 45.100 -0.055 0.000 0.771 341 G HN 0.252 nan 8.290 nan 0.000 0.545 342 L N -0.091 121.071 121.223 -0.103 0.000 2.056 342 L HA -0.021 4.320 4.340 0.003 0.000 0.207 342 L C 2.835 179.702 176.870 -0.006 0.000 1.078 342 L CA 1.326 56.124 54.840 -0.069 0.000 0.749 342 L CB -0.331 41.661 42.059 -0.111 0.000 0.901 342 L HN 0.202 nan 8.230 nan 0.000 0.433 343 K N 0.074 120.422 120.400 -0.086 0.000 2.063 343 K HA -0.226 4.095 4.320 0.003 0.000 0.208 343 K C 2.124 178.684 176.600 -0.066 0.000 1.048 343 K CA 1.481 57.634 56.287 -0.223 0.000 0.928 343 K CB -0.010 32.264 32.500 -0.376 0.000 0.713 343 K HN 0.368 nan 8.250 nan 0.000 0.442 344 Q N 0.089 119.871 119.800 -0.030 0.000 2.181 344 Q HA -0.144 4.197 4.340 0.003 0.000 0.205 344 Q C 1.823 177.848 176.000 0.041 0.000 0.980 344 Q CA 1.142 56.958 55.803 0.022 0.000 0.862 344 Q CB -0.001 28.768 28.738 0.051 0.000 0.905 344 Q HN 0.384 nan 8.270 nan 0.000 0.429 345 L N 0.144 121.387 121.223 0.034 0.000 2.592 345 L HA 0.061 4.402 4.340 0.003 0.000 0.227 345 L C 0.080 176.970 176.870 0.033 0.000 1.127 345 L CA 0.122 54.985 54.840 0.038 0.000 0.884 345 L CB 0.058 42.134 42.059 0.028 0.000 1.065 345 L HN 0.162 nan 8.230 nan 0.000 0.457 346 K N -0.142 120.308 120.400 0.082 0.000 3.117 346 K HA -0.191 4.131 4.320 0.003 0.000 0.269 346 K C 0.531 177.147 176.600 0.026 0.000 1.098 346 K CA 0.353 56.708 56.287 0.113 0.000 0.785 346 K CB -1.747 30.782 32.500 0.048 0.000 1.242 346 K HN 0.330 nan 8.250 nan 0.000 0.491 347 L N -0.650 120.608 121.223 0.058 0.000 2.858 347 L HA 0.094 4.435 4.340 0.003 0.000 0.251 347 L C 1.824 178.688 176.870 -0.009 0.000 1.149 347 L CA 0.028 54.820 54.840 -0.080 0.000 0.955 347 L CB -0.044 41.945 42.059 -0.118 0.000 1.289 347 L HN 0.402 nan 8.230 nan 0.000 0.542 348 H N -1.217 117.835 119.070 -0.030 0.000 2.561 348 H HA 0.034 4.591 4.556 0.001 0.000 0.278 348 H C 1.535 176.937 175.328 0.122 0.000 1.014 348 H CA 0.458 56.517 56.048 0.018 0.000 1.211 348 H CB -0.054 29.744 29.762 0.060 0.000 1.365 348 H HN 0.131 nan 8.280 nan 0.000 0.594 349 R N -0.269 120.054 120.500 -0.295 0.000 2.629 349 R HA 0.230 4.572 4.340 0.003 0.000 0.386 349 R C 0.246 176.471 176.300 -0.124 0.000 1.071 349 R CA 0.272 56.257 56.100 -0.193 0.000 1.104 349 R CB 0.553 30.677 30.300 -0.292 0.000 1.370 349 R HN 0.463 nan 8.270 nan 0.000 0.574 350 c N -0.918 117.624 118.600 -0.097 0.000 2.683 350 c HA 0.336 4.908 4.570 0.003 0.000 0.491 350 c C 0.708 174.792 174.090 -0.009 0.000 1.342 350 c CA -0.013 56.264 56.329 -0.088 0.000 2.476 350 c CB 0.273 42.663 42.510 -0.199 0.000 3.150 350 c HN 0.044 nan 8.230 nan 0.000 0.551 351 V N 3.937 123.864 119.914 0.021 0.000 2.686 351 V HA 0.321 4.442 4.120 0.003 0.000 0.295 351 V C -0.468 175.711 176.094 0.141 0.000 1.057 351 V CA -0.066 62.286 62.300 0.088 0.000 1.012 351 V CB 1.145 33.010 31.823 0.069 0.000 1.006 351 V HN 0.468 nan 8.190 nan 0.000 0.477 352 N N 2.442 121.253 118.700 0.184 0.000 2.426 352 N HA 0.437 5.178 4.740 0.003 0.000 0.275 352 N C -0.866 174.825 175.510 0.302 0.000 1.019 352 N CA -0.200 53.016 53.050 0.277 0.000 0.941 352 N CB 1.980 40.626 38.487 0.266 0.000 1.123 352 N HN 0.374 nan 8.380 nan 0.000 0.486 353 V N 3.764 123.865 119.914 0.312 0.000 2.448 353 V HA 0.482 4.604 4.120 0.003 0.000 0.295 353 V C 0.329 176.517 176.094 0.157 0.000 1.025 353 V CA -0.693 61.733 62.300 0.209 0.000 0.859 353 V CB 1.613 33.490 31.823 0.090 0.000 0.988 353 V HN 0.484 nan 8.190 nan 0.000 0.431 354 I N 4.880 125.556 120.570 0.177 0.000 2.378 354 I HA 0.415 4.587 4.170 0.003 0.000 0.291 354 I C -1.024 175.162 176.117 0.116 0.000 0.992 354 I CA -0.400 60.947 61.300 0.079 0.000 1.154 354 I CB 1.622 39.775 38.000 0.255 0.000 1.315 354 I HN 0.549 nan 8.210 nan 0.000 0.448 355 F N 8.316 128.144 119.950 -0.205 0.000 2.402 355 F HA 0.680 5.210 4.527 0.005 0.000 0.355 355 F C -0.921 174.797 175.800 -0.136 0.000 1.123 355 F CA -0.520 57.390 58.000 -0.150 0.000 1.021 355 F CB 1.143 39.955 39.000 -0.314 0.000 1.160 355 F HN 0.142 nan 8.300 nan 0.000 0.451 356 V N 5.766 125.441 119.914 -0.398 0.000 2.932 356 V HA 0.843 4.965 4.120 0.003 0.000 0.307 356 V C -0.488 175.468 176.094 -0.229 0.000 1.147 356 V CA -0.192 62.017 62.300 -0.151 0.000 0.951 356 V CB 1.799 33.705 31.823 0.137 0.000 1.031 356 V HN 0.925 nan 8.190 nan 0.000 0.426 357 G N 2.757 111.480 108.800 -0.128 0.000 2.491 357 G HA2 0.512 4.474 3.960 0.003 0.000 0.327 357 G HA3 0.512 4.474 3.960 0.003 0.000 0.327 357 G C 0.198 175.092 174.900 -0.010 0.000 1.189 357 G CA 0.268 45.316 45.100 -0.086 0.000 0.956 357 G HN 0.845 nan 8.290 nan 0.000 0.491 358 D N -1.997 118.366 120.400 -0.061 0.000 2.277 358 D HA 0.101 4.743 4.640 0.003 0.000 0.209 358 D C 0.688 177.014 176.300 0.043 0.000 0.970 358 D CA 1.013 55.021 54.000 0.013 0.000 0.874 358 D CB -0.011 40.843 40.800 0.089 0.000 0.982 358 D HN 0.652 nan 8.370 nan 0.000 0.504 359 H N -3.773 115.317 119.070 0.033 0.000 2.904 359 H HA 0.590 5.148 4.556 0.003 0.000 0.290 359 H C 0.108 175.404 175.328 -0.054 0.000 1.437 359 H CA -0.864 55.181 56.048 -0.005 0.000 1.147 359 H CB 0.823 30.558 29.762 -0.045 0.000 1.824 359 H HN 0.026 nan 8.280 nan 0.000 0.505 360 G N -0.548 108.346 108.800 0.156 0.000 2.630 360 G HA2 0.538 4.500 3.960 0.003 0.000 0.223 360 G HA3 0.538 4.500 3.960 0.003 0.000 0.223 360 G C -0.828 174.128 174.900 0.092 0.000 1.434 360 G CA -0.381 44.735 45.100 0.027 0.000 1.057 360 G HN 0.777 nan 8.290 nan 0.000 0.570 361 M N -1.098 118.499 119.600 -0.004 0.000 2.365 361 M HA 0.551 5.033 4.480 0.003 0.000 0.288 361 M C -1.671 174.633 176.300 0.007 0.000 1.152 361 M CA -0.580 54.741 55.300 0.035 0.000 0.948 361 M CB 2.347 34.928 32.600 -0.033 0.000 1.729 361 M HN 0.568 nan 8.290 nan 0.000 0.487 362 E N 1.425 121.691 120.200 0.109 0.000 2.299 362 E HA 0.487 4.839 4.350 0.003 0.000 0.265 362 E C -1.495 175.164 176.600 0.097 0.000 0.911 362 E CA -0.384 56.085 56.400 0.114 0.000 0.789 362 E CB 1.464 31.318 29.700 0.255 0.000 1.246 362 E HN 0.650 nan 8.360 nan 0.000 0.427 363 D N 1.660 122.115 120.400 0.092 0.000 2.346 363 D HA 0.231 4.873 4.640 0.003 0.000 0.260 363 D C -0.790 175.535 176.300 0.043 0.000 1.252 363 D CA 0.280 54.331 54.000 0.085 0.000 0.895 363 D CB 0.713 41.589 40.800 0.126 0.000 1.097 363 D HN 0.087 nan 8.370 nan 0.000 0.489 364 V N 2.619 122.561 119.914 0.047 0.000 2.612 364 V HA 0.363 4.484 4.120 0.003 0.000 0.301 364 V C 0.369 176.488 176.094 0.041 0.000 1.059 364 V CA -0.767 61.523 62.300 -0.018 0.000 0.886 364 V CB 2.034 33.830 31.823 -0.045 0.000 1.007 364 V HN 0.616 nan 8.190 nan 0.000 0.426 365 T N -0.368 114.090 114.554 -0.160 0.000 2.910 365 T HA 0.330 4.682 4.350 0.003 0.000 0.287 365 T C 1.070 175.563 174.700 -0.344 0.000 1.050 365 T CA -0.377 61.498 62.100 -0.374 0.000 1.011 365 T CB 1.495 70.168 68.868 -0.326 0.000 1.195 365 T HN 0.485 nan 8.240 nan 0.000 0.540 366 c N 0.455 118.750 118.600 -0.508 0.000 2.411 366 c HA -0.044 4.528 4.570 0.003 0.000 0.279 366 c C 2.186 176.218 174.090 -0.096 0.000 1.288 366 c CA 0.676 56.904 56.329 -0.168 0.000 1.764 366 c CB -1.334 41.071 42.510 -0.176 0.000 1.974 366 c HN 0.855 nan 8.230 nan 0.000 0.498 367 D N 0.367 120.658 120.400 -0.181 0.000 2.350 367 D HA -0.036 4.606 4.640 0.003 0.000 0.216 367 D C 1.196 177.320 176.300 -0.294 0.000 0.968 367 D CA 0.840 54.747 54.000 -0.155 0.000 0.894 367 D CB -0.243 40.466 40.800 -0.151 0.000 0.909 367 D HN 0.561 nan 8.370 nan 0.000 0.520 368 R N 0.303 120.492 120.500 -0.518 0.000 3.057 368 R HA 0.280 4.622 4.340 0.003 0.000 0.291 368 R C -0.595 175.352 176.300 -0.588 0.000 1.394 368 R CA -0.109 55.249 56.100 -1.236 0.000 1.630 368 R CB 0.736 29.905 30.300 -1.885 0.000 1.268 368 R HN -0.159 nan 8.270 nan 0.000 0.621 369 T N 0.912 115.420 114.554 -0.076 0.000 2.840 369 T HA 0.218 4.570 4.350 0.003 0.000 0.287 369 T C -0.233 174.471 174.700 0.007 0.000 0.991 369 T CA -0.756 61.352 62.100 0.013 0.000 0.964 369 T CB 2.164 70.880 68.868 -0.253 0.000 0.954 369 T HN 0.160 nan 8.240 nan 0.000 0.438 370 E N 2.206 122.499 120.200 0.155 0.000 2.331 370 E HA 0.352 4.704 4.350 0.003 0.000 0.272 370 E C -0.908 175.552 176.600 -0.233 0.000 1.036 370 E CA -0.159 56.320 56.400 0.131 0.000 0.864 370 E CB 1.017 30.928 29.700 0.351 0.000 1.035 370 E HN 0.439 nan 8.360 nan 0.000 0.408 371 F N 1.547 121.671 119.950 0.289 0.000 2.482 371 F HA 0.212 4.740 4.527 0.003 0.000 0.331 371 F C 1.429 177.380 175.800 0.252 0.000 1.115 371 F CA -0.621 57.494 58.000 0.192 0.000 0.955 371 F CB 0.975 40.070 39.000 0.159 0.000 1.136 371 F HN 0.315 nan 8.300 nan 0.000 0.452 372 L N 1.251 122.641 121.223 0.278 0.000 2.191 372 L HA -0.165 4.177 4.340 0.003 0.000 0.212 372 L C 2.302 179.360 176.870 0.314 0.000 1.103 372 L CA 1.349 56.328 54.840 0.233 0.000 0.769 372 L CB -0.544 41.551 42.059 0.060 0.000 0.908 372 L HN 0.777 nan 8.230 nan 0.000 0.438 373 S N -0.799 115.058 115.700 0.262 0.000 2.442 373 S HA -0.191 4.281 4.470 0.003 0.000 0.236 373 S C 1.396 176.094 174.600 0.165 0.000 1.007 373 S CA 1.407 59.711 58.200 0.174 0.000 0.965 373 S CB -0.767 62.495 63.200 0.104 0.000 0.773 373 S HN 0.549 nan 8.310 nan 0.000 0.504 374 N N -0.382 118.457 118.700 0.231 0.000 2.512 374 N HA 0.074 4.816 4.740 0.003 0.000 0.183 374 N C 0.587 176.041 175.510 -0.094 0.000 1.073 374 N CA 0.924 54.009 53.050 0.057 0.000 0.911 374 N CB -0.064 38.433 38.487 0.017 0.000 0.964 374 N HN 0.514 nan 8.380 nan 0.000 0.447 375 Y N -0.218 120.150 120.300 0.114 0.000 2.526 375 Y HA 0.367 4.918 4.550 0.003 0.000 0.265 375 Y C 0.174 176.115 175.900 0.069 0.000 1.092 375 Y CA -0.174 57.985 58.100 0.099 0.000 1.277 375 Y CB 0.791 39.342 38.460 0.151 0.000 1.228 375 Y HN -0.152 nan 8.280 nan 0.000 0.507 376 L N -0.806 120.555 121.223 0.229 0.000 2.354 376 L HA 0.402 4.744 4.340 0.003 0.000 0.269 376 L C 0.798 177.725 176.870 0.094 0.000 1.005 376 L CA -0.417 54.507 54.840 0.140 0.000 0.819 376 L CB 2.062 44.199 42.059 0.129 0.000 1.311 376 L HN -0.165 nan 8.230 nan 0.000 0.423 377 T N -0.394 114.199 114.554 0.065 0.000 2.896 377 T HA -0.008 4.344 4.350 0.003 0.000 0.263 377 T C 0.474 175.199 174.700 0.041 0.000 1.050 377 T CA 1.266 63.393 62.100 0.045 0.000 1.140 377 T CB -0.169 68.718 68.868 0.031 0.000 0.877 377 T HN 0.532 nan 8.240 nan 0.000 0.457 378 N N 1.226 119.953 118.700 0.046 0.000 2.804 378 N HA 0.283 5.025 4.740 0.003 0.000 0.251 378 N C 0.715 176.254 175.510 0.049 0.000 1.250 378 N CA -0.202 52.873 53.050 0.041 0.000 0.820 378 N CB 1.656 40.164 38.487 0.035 0.000 1.156 378 N HN 0.055 nan 8.380 nan 0.000 0.512 379 V N -2.515 117.430 119.914 0.051 0.000 3.217 379 V HA -0.014 4.108 4.120 0.003 0.000 0.264 379 V C 0.998 177.113 176.094 0.035 0.000 1.135 379 V CA 1.103 63.435 62.300 0.053 0.000 1.142 379 V CB -0.060 31.801 31.823 0.063 0.000 0.754 379 V HN 0.341 nan 8.190 nan 0.000 0.484 380 D N 1.052 121.468 120.400 0.026 0.000 2.371 380 D HA -0.062 4.579 4.640 0.003 0.000 0.221 380 D C 1.293 177.599 176.300 0.010 0.000 0.986 380 D CA 1.029 55.037 54.000 0.013 0.000 0.899 380 D CB -0.037 40.768 40.800 0.009 0.000 0.902 380 D HN 0.539 nan 8.370 nan 0.000 0.530 381 D N 0.217 120.630 120.400 0.022 0.000 2.349 381 D HA 0.095 4.737 4.640 0.003 0.000 0.214 381 D C 0.992 177.301 176.300 0.015 0.000 1.063 381 D CA 0.018 54.030 54.000 0.021 0.000 0.847 381 D CB 0.950 41.776 40.800 0.043 0.000 0.933 381 D HN 0.387 nan 8.370 nan 0.000 0.513 382 I N -2.477 118.101 120.570 0.013 0.000 2.740 382 I HA 0.461 4.633 4.170 0.003 0.000 0.303 382 I C -0.419 175.674 176.117 -0.041 0.000 1.044 382 I CA -0.714 60.580 61.300 -0.009 0.000 1.064 382 I CB 2.324 40.354 38.000 0.049 0.000 1.249 382 I HN -0.434 nan 8.210 nan 0.000 0.433 383 T N 5.439 119.945 114.554 -0.080 0.000 2.771 383 T HA 0.573 4.925 4.350 0.003 0.000 0.281 383 T C -0.719 173.942 174.700 -0.066 0.000 0.982 383 T CA -0.286 61.766 62.100 -0.080 0.000 0.978 383 T CB 1.287 70.083 68.868 -0.120 0.000 0.930 383 T HN 0.487 nan 8.240 nan 0.000 0.447 384 L N 5.293 126.482 121.223 -0.057 0.000 2.325 384 L HA 0.600 4.942 4.340 0.003 0.000 0.281 384 L C -0.697 176.129 176.870 -0.074 0.000 1.004 384 L CA -0.614 54.186 54.840 -0.066 0.000 0.823 384 L CB 1.376 43.392 42.059 -0.071 0.000 1.236 384 L HN 0.400 nan 8.230 nan 0.000 0.415 385 V N 8.181 128.051 119.914 -0.074 0.000 2.415 385 V HA 0.358 4.480 4.120 0.003 0.000 0.267 385 V C -1.827 174.188 176.094 -0.132 0.000 1.042 385 V CA -0.677 61.572 62.300 -0.084 0.000 1.000 385 V CB 0.088 31.876 31.823 -0.059 0.000 1.015 385 V HN 0.747 nan 8.190 nan 0.000 0.478 386 P HA 0.793 nan 4.420 nan 0.000 0.309 386 P C 0.273 177.407 177.300 -0.277 0.000 1.302 386 P CA 0.278 63.255 63.100 -0.205 0.000 0.835 386 P CB 2.696 34.279 31.700 -0.196 0.000 1.324 387 G N -0.267 108.334 108.800 -0.331 0.000 2.826 387 G HA2 -0.212 3.750 3.960 0.003 0.000 0.233 387 G HA3 -0.212 3.750 3.960 0.003 0.000 0.233 387 G C 0.702 175.500 174.900 -0.170 0.000 1.296 387 G CA 0.465 45.271 45.100 -0.490 0.000 1.001 387 G HN 0.708 nan 8.290 nan 0.000 0.576 388 T N 0.586 114.992 114.554 -0.246 0.000 3.169 388 T HA 0.546 4.898 4.350 0.003 0.000 0.250 388 T C 0.855 175.416 174.700 -0.232 0.000 1.111 388 T CA 1.363 63.220 62.100 -0.406 0.000 1.010 388 T CB -0.709 67.519 68.868 -1.066 0.000 0.984 388 T HN 1.740 nan 8.240 nan 0.000 0.537 389 L N -4.127 117.004 121.223 -0.152 0.000 2.720 389 L HA 0.945 5.286 4.340 0.003 0.000 0.261 389 L C -0.829 175.935 176.870 -0.177 0.000 1.046 389 L CA -1.523 53.271 54.840 -0.076 0.000 0.886 389 L CB 1.465 43.490 42.059 -0.056 0.000 1.493 389 L HN -0.040 nan 8.230 nan 0.000 0.407 390 G N 0.571 109.198 108.800 -0.288 0.000 2.617 390 G HA2 0.756 4.718 3.960 0.003 0.000 0.306 390 G HA3 0.756 4.718 3.960 0.003 0.000 0.306 390 G C -1.457 173.224 174.900 -0.365 0.000 1.360 390 G CA -0.804 44.123 45.100 -0.290 0.000 0.983 390 G HN 0.592 nan 8.290 nan 0.000 0.496 391 R N 1.785 122.181 120.500 -0.172 0.000 2.575 391 R HA 0.513 4.855 4.340 0.003 0.000 0.293 391 R C -1.086 175.198 176.300 -0.027 0.000 0.983 391 R CA -0.752 55.318 56.100 -0.049 0.000 0.887 391 R CB 2.591 32.926 30.300 0.058 0.000 1.184 391 R HN 0.412 nan 8.270 nan 0.000 0.445 392 I N 3.546 124.125 120.570 0.016 0.000 2.474 392 I HA 0.506 4.678 4.170 0.003 0.000 0.294 392 I C -0.005 176.120 176.117 0.014 0.000 1.005 392 I CA -0.814 60.499 61.300 0.022 0.000 1.113 392 I CB 1.753 39.798 38.000 0.075 0.000 1.289 392 I HN 0.572 nan 8.210 nan 0.000 0.436 393 R N 5.737 126.172 120.500 -0.108 0.000 2.764 393 R HA 0.649 4.991 4.340 0.003 0.000 0.270 393 R C -3.186 172.825 176.300 -0.481 0.000 1.014 393 R CA -1.896 54.010 56.100 -0.324 0.000 0.904 393 R CB 1.581 31.757 30.300 -0.208 0.000 1.236 393 R HN 0.127 nan 8.270 nan 0.000 0.466 394 P HA 0.009 nan 4.420 nan 0.000 0.271 394 P C -0.354 176.781 177.300 -0.274 0.000 1.218 394 P CA -0.291 62.512 63.100 -0.494 0.000 0.780 394 P CB 1.320 32.726 31.700 -0.490 0.000 0.901 395 K N 2.361 122.662 120.400 -0.165 0.000 2.063 395 K HA -0.068 4.254 4.320 0.003 0.000 0.208 395 K C 0.615 177.128 176.600 -0.145 0.000 1.048 395 K CA 1.116 57.322 56.287 -0.135 0.000 0.928 395 K CB -0.189 32.265 32.500 -0.077 0.000 0.713 395 K HN 0.448 nan 8.250 nan 0.000 0.442 396 I N 2.982 123.483 120.570 -0.115 0.000 2.312 396 I HA 0.150 4.322 4.170 0.003 0.000 0.291 396 I C -2.255 173.792 176.117 -0.116 0.000 1.031 396 I CA -2.607 58.636 61.300 -0.095 0.000 1.293 396 I CB 1.292 39.263 38.000 -0.048 0.000 1.403 396 I HN -0.006 nan 8.210 nan 0.000 0.484 397 P HA -0.024 nan 4.420 nan 0.000 0.262 397 P C -0.336 176.942 177.300 -0.036 0.000 1.182 397 P CA 0.502 63.546 63.100 -0.094 0.000 0.761 397 P CB 0.101 31.790 31.700 -0.020 0.000 0.795 398 N N -0.543 118.136 118.700 -0.035 0.000 2.747 398 N HA -0.225 4.517 4.740 0.003 0.000 0.249 398 N C -0.027 175.488 175.510 0.008 0.000 1.107 398 N CA 0.097 53.148 53.050 0.002 0.000 0.707 398 N CB -1.621 36.881 38.487 0.026 0.000 1.054 398 N HN 0.477 nan 8.380 nan 0.000 0.555 399 N N 1.469 120.160 118.700 -0.015 0.000 2.434 399 N HA 0.023 4.765 4.740 0.003 0.000 0.268 399 N C 0.919 176.473 175.510 0.074 0.000 1.256 399 N CA 0.279 53.340 53.050 0.019 0.000 0.914 399 N CB 0.491 38.980 38.487 0.003 0.000 1.088 399 N HN 0.319 nan 8.380 nan 0.000 0.478 400 L N 2.861 124.121 121.223 0.063 0.000 2.362 400 L HA -0.037 4.305 4.340 0.003 0.000 0.219 400 L C 1.938 178.857 176.870 0.082 0.000 1.134 400 L CA 0.783 55.666 54.840 0.071 0.000 0.807 400 L CB -0.145 41.942 42.059 0.046 0.000 0.927 400 L HN 0.531 nan 8.230 nan 0.000 0.447 401 K N -0.402 120.050 120.400 0.086 0.000 2.417 401 K HA -0.029 4.293 4.320 0.003 0.000 0.196 401 K C 0.062 176.731 176.600 0.116 0.000 1.023 401 K CA -0.383 55.949 56.287 0.076 0.000 1.122 401 K CB 0.279 32.812 32.500 0.055 0.000 0.850 401 K HN -0.021 nan 8.250 nan 0.000 0.521 402 Y N 1.838 122.140 120.300 0.004 0.000 2.721 402 Y HA -0.107 4.445 4.550 0.003 0.000 0.329 402 Y C -0.181 175.722 175.900 0.006 0.000 1.211 402 Y CA -0.037 58.065 58.100 0.004 0.000 1.512 402 Y CB 0.329 38.791 38.460 0.003 0.000 1.249 402 Y HN -0.038 nan 8.280 nan 0.000 0.549 403 D N 9.095 129.275 120.400 -0.367 0.000 2.456 403 D HA 0.262 4.903 4.640 0.003 0.000 0.287 403 D C -1.971 174.066 176.300 -0.439 0.000 1.186 403 D CA -2.114 51.700 54.000 -0.311 0.000 0.916 403 D CB 0.944 41.660 40.800 -0.140 0.000 1.029 403 D HN 0.335 nan 8.370 nan 0.000 0.498 404 P HA -0.151 nan 4.420 nan 0.000 0.216 404 P C 1.147 178.325 177.300 -0.203 0.000 1.150 404 P CA 0.914 63.741 63.100 -0.455 0.000 0.837 404 P CB 0.570 32.067 31.700 -0.337 0.000 0.786 405 K N -0.222 120.088 120.400 -0.149 0.000 2.097 405 K HA -0.008 4.313 4.320 0.003 0.000 0.205 405 K C 2.257 178.811 176.600 -0.076 0.000 1.050 405 K CA 1.348 57.583 56.287 -0.088 0.000 0.938 405 K CB -0.482 31.979 32.500 -0.066 0.000 0.718 405 K HN 0.049 nan 8.250 nan 0.000 0.442 406 A N 1.510 124.278 122.820 -0.088 0.000 1.929 406 A HA -0.088 4.234 4.320 0.003 0.000 0.216 406 A C 2.103 179.660 177.584 -0.044 0.000 1.176 406 A CA 1.003 53.004 52.037 -0.059 0.000 0.628 406 A CB -0.436 18.531 19.000 -0.056 0.000 0.816 406 A HN 0.128 nan 8.150 nan 0.000 0.444 407 I N -0.277 120.250 120.570 -0.071 0.000 2.163 407 I HA -0.249 3.923 4.170 0.003 0.000 0.240 407 I C 2.287 178.399 176.117 -0.007 0.000 1.081 407 I CA 1.338 62.619 61.300 -0.032 0.000 1.353 407 I CB -0.312 37.657 38.000 -0.052 0.000 1.054 407 I HN 0.286 nan 8.210 nan 0.000 0.407 408 I N 0.790 121.345 120.570 -0.026 0.000 2.264 408 I HA -0.317 3.855 4.170 0.003 0.000 0.248 408 I C 2.777 178.884 176.117 -0.016 0.000 1.111 408 I CA 1.372 62.664 61.300 -0.012 0.000 1.382 408 I CB -0.484 37.504 38.000 -0.020 0.000 1.060 408 I HN 0.213 nan 8.210 nan 0.000 0.418 409 A N 0.792 123.599 122.820 -0.023 0.000 1.902 409 A HA -0.221 4.100 4.320 0.003 0.000 0.217 409 A C 1.961 179.546 177.584 0.002 0.000 1.181 409 A CA 2.039 54.062 52.037 -0.024 0.000 0.623 409 A CB -0.692 18.291 19.000 -0.029 0.000 0.818 409 A HN 0.393 nan 8.150 nan 0.000 0.443 410 N N -0.440 118.278 118.700 0.030 0.000 2.520 410 N HA 0.030 4.771 4.740 0.003 0.000 0.185 410 N C 1.082 176.687 175.510 0.159 0.000 1.068 410 N CA 0.724 53.827 53.050 0.089 0.000 0.911 410 N CB -0.175 38.374 38.487 0.104 0.000 0.961 410 N HN 0.509 nan 8.380 nan 0.000 0.446 411 L N -0.992 120.279 121.223 0.080 0.000 2.640 411 L HA 0.197 4.539 4.340 0.003 0.000 0.230 411 L C -0.075 176.750 176.870 -0.075 0.000 1.123 411 L CA 0.180 55.037 54.840 0.028 0.000 0.900 411 L CB 0.285 42.388 42.059 0.073 0.000 1.146 411 L HN -0.114 nan 8.230 nan 0.000 0.484 412 T N -0.100 114.420 114.554 -0.056 0.000 2.738 412 T HA 0.152 4.504 4.350 0.003 0.000 0.298 412 T C 0.509 175.137 174.700 -0.120 0.000 0.962 412 T CA -0.279 61.750 62.100 -0.119 0.000 0.972 412 T CB 0.494 69.297 68.868 -0.108 0.000 0.928 412 T HN 0.238 nan 8.240 nan 0.000 0.474 413 c N 4.341 122.835 118.600 -0.176 0.000 3.899 413 c HA -0.102 4.470 4.570 0.003 0.000 0.297 413 c C 1.519 175.547 174.090 -0.104 0.000 1.371 413 c CA 0.101 56.332 56.329 -0.163 0.000 2.088 413 c CB -1.783 40.627 42.510 -0.165 0.000 1.346 413 c HN 0.805 nan 8.230 nan 0.000 0.658 414 K N 0.053 120.425 120.400 -0.047 0.000 2.361 414 K HA 0.172 4.493 4.320 0.003 0.000 0.194 414 K C 0.675 177.252 176.600 -0.038 0.000 1.032 414 K CA 0.719 57.009 56.287 0.005 0.000 1.048 414 K CB 0.341 32.921 32.500 0.133 0.000 0.842 414 K HN 0.672 nan 8.250 nan 0.000 0.526 415 K N 0.629 120.994 120.400 -0.059 0.000 2.422 415 K HA 0.222 4.543 4.320 0.003 0.000 0.251 415 K C -2.005 174.508 176.600 -0.146 0.000 0.933 415 K CA -1.802 54.425 56.287 -0.101 0.000 0.798 415 K CB 2.438 34.883 32.500 -0.092 0.000 1.238 415 K HN -0.289 nan 8.250 nan 0.000 0.428 416 P HA -0.173 nan 4.420 nan 0.000 0.217 416 P C 0.091 177.276 177.300 -0.193 0.000 1.150 416 P CA 1.469 64.487 63.100 -0.137 0.000 0.832 416 P CB 0.206 31.848 31.700 -0.096 0.000 0.787 417 D N -1.348 118.904 120.400 -0.245 0.000 2.388 417 D HA 0.010 4.652 4.640 0.003 0.000 0.221 417 D C 0.694 176.502 176.300 -0.820 0.000 1.133 417 D CA -0.369 53.388 54.000 -0.404 0.000 0.831 417 D CB -0.966 39.673 40.800 -0.267 0.000 0.962 417 D HN 0.195 nan 8.370 nan 0.000 0.502 418 Q N 0.833 120.292 119.800 -0.568 0.000 2.308 418 Q HA -0.128 4.213 4.340 0.003 0.000 0.313 418 Q C -0.008 175.545 176.000 -0.746 0.000 1.075 418 Q CA 0.544 55.985 55.803 -0.603 0.000 0.995 418 Q CB 0.322 28.766 28.738 -0.489 0.000 1.107 418 Q HN 0.337 nan 8.270 nan 0.000 0.380 419 H N 5.515 124.333 119.070 -0.421 0.000 2.550 419 H HA 0.176 4.734 4.556 0.003 0.000 0.304 419 H C -0.819 174.492 175.328 -0.029 0.000 1.086 419 H CA 0.150 55.937 56.048 -0.435 0.000 1.089 419 H CB -0.543 28.540 29.762 -1.132 0.000 1.528 419 H HN 0.471 nan 8.280 nan 0.000 0.539 420 F N -1.309 118.592 119.950 -0.081 0.000 2.741 420 F HA 0.561 5.090 4.527 0.003 0.000 0.313 420 F C -1.520 174.255 175.800 -0.042 0.000 1.153 420 F CA -1.430 56.565 58.000 -0.008 0.000 0.931 420 F CB 1.909 40.906 39.000 -0.005 0.000 1.335 420 F HN -0.298 nan 8.300 nan 0.000 0.460 421 K N 2.597 123.099 120.400 0.171 0.000 2.507 421 K HA 0.528 4.850 4.320 0.003 0.000 0.251 421 K C -3.231 173.480 176.600 0.184 0.000 0.943 421 K CA -2.056 54.238 56.287 0.011 0.000 0.794 421 K CB 2.698 35.190 32.500 -0.014 0.000 1.188 421 K HN 0.474 nan 8.250 nan 0.000 0.428 422 P HA 0.191 nan 4.420 nan 0.000 0.279 422 P C -1.451 175.836 177.300 -0.022 0.000 1.239 422 P CA -0.181 62.994 63.100 0.125 0.000 0.789 422 P CB 0.563 32.308 31.700 0.075 0.000 0.933 423 Y N 0.666 121.055 120.300 0.149 0.000 2.470 423 Y HA 0.296 4.848 4.550 0.003 0.000 0.341 423 Y C 0.697 176.666 175.900 0.115 0.000 1.021 423 Y CA -1.154 57.036 58.100 0.151 0.000 1.025 423 Y CB 1.930 40.491 38.460 0.168 0.000 1.266 423 Y HN 0.174 nan 8.280 nan 0.000 0.448 424 M N 3.510 123.227 119.600 0.195 0.000 2.245 424 M HA 0.070 4.552 4.480 0.003 0.000 0.344 424 M C 1.352 177.655 176.300 0.004 0.000 1.170 424 M CA 0.032 55.345 55.300 0.022 0.000 1.135 424 M CB 0.823 33.317 32.600 -0.177 0.000 1.574 424 M HN 0.825 nan 8.290 nan 0.000 0.452 425 K N 2.271 122.625 120.400 -0.077 0.000 2.152 425 K HA -0.196 4.126 4.320 0.003 0.000 0.206 425 K C 1.314 177.799 176.600 -0.192 0.000 1.048 425 K CA 1.325 57.541 56.287 -0.118 0.000 0.933 425 K CB -0.267 32.123 32.500 -0.184 0.000 0.721 425 K HN 0.694 nan 8.250 nan 0.000 0.447 426 Q N 0.991 120.588 119.800 -0.338 0.000 2.437 426 Q HA -0.153 4.189 4.340 0.003 0.000 0.210 426 Q C 0.731 176.739 176.000 0.013 0.000 0.972 426 Q CA 1.476 57.125 55.803 -0.256 0.000 0.903 426 Q CB -0.423 28.105 28.738 -0.350 0.000 0.967 426 Q HN 0.720 nan 8.270 nan 0.000 0.486 427 H N -0.091 119.022 119.070 0.072 0.000 2.575 427 H HA 0.315 4.873 4.556 0.003 0.000 0.267 427 H C 0.301 175.782 175.328 0.256 0.000 0.966 427 H CA -0.743 55.423 56.048 0.198 0.000 1.165 427 H CB 0.566 30.477 29.762 0.248 0.000 1.433 427 H HN 0.058 nan 8.280 nan 0.000 0.544 428 L N 2.587 123.880 121.223 0.116 0.000 2.506 428 L HA 0.031 4.373 4.340 0.003 0.000 0.281 428 L C -1.937 174.880 176.870 -0.087 0.000 1.228 428 L CA -1.863 52.816 54.840 -0.268 0.000 0.850 428 L CB 0.081 41.948 42.059 -0.320 0.000 1.110 428 L HN -0.068 nan 8.230 nan 0.000 0.496 429 P HA -0.068 nan 4.420 nan 0.000 0.261 429 P C -0.073 177.145 177.300 -0.137 0.000 1.173 429 P CA 0.087 63.100 63.100 -0.145 0.000 0.760 429 P CB 0.377 31.833 31.700 -0.407 0.000 0.783 430 K N 4.002 124.356 120.400 -0.076 0.000 2.209 430 K HA -0.153 4.169 4.320 0.003 0.000 0.204 430 K C 1.805 178.101 176.600 -0.508 0.000 1.048 430 K CA 1.365 57.489 56.287 -0.271 0.000 0.940 430 K CB -0.308 32.029 32.500 -0.271 0.000 0.729 430 K HN 0.563 nan 8.250 nan 0.000 0.451 431 R N 0.841 121.157 120.500 -0.307 0.000 2.200 431 R HA -0.049 4.293 4.340 0.003 0.000 0.234 431 R C 1.995 178.157 176.300 -0.230 0.000 1.127 431 R CA 1.014 56.963 56.100 -0.253 0.000 0.989 431 R CB -0.688 29.562 30.300 -0.082 0.000 0.869 431 R HN 0.111 nan 8.270 nan 0.000 0.459 432 L N 0.017 121.082 121.223 -0.264 0.000 2.313 432 L HA 0.022 4.364 4.340 0.003 0.000 0.214 432 L C 0.238 177.072 176.870 -0.061 0.000 1.119 432 L CA 0.279 55.031 54.840 -0.147 0.000 0.809 432 L CB -0.664 41.234 42.059 -0.268 0.000 0.933 432 L HN 0.364 nan 8.230 nan 0.000 0.449 433 H N -1.448 117.507 119.070 -0.193 0.000 2.692 433 H HA -0.251 4.307 4.556 0.003 0.000 0.316 433 H C -0.592 174.685 175.328 -0.084 0.000 1.176 433 H CA 0.623 56.487 56.048 -0.306 0.000 1.142 433 H CB -1.904 27.295 29.762 -0.938 0.000 1.475 433 H HN 0.343 nan 8.280 nan 0.000 0.423 434 Y N -0.601 119.636 120.300 -0.105 0.000 2.562 434 Y HA 0.544 5.095 4.550 0.003 0.000 0.363 434 Y C 0.383 176.236 175.900 -0.078 0.000 0.991 434 Y CA 0.216 58.281 58.100 -0.058 0.000 1.121 434 Y CB 0.169 38.618 38.460 -0.017 0.000 1.159 434 Y HN 0.348 nan 8.280 nan 0.000 0.651 435 A N 1.571 124.292 122.820 -0.164 0.000 1.998 435 A HA 0.095 4.417 4.320 0.003 0.000 0.180 435 A C 0.419 178.030 177.584 0.044 0.000 1.858 435 A CA -0.077 51.877 52.037 -0.138 0.000 1.403 435 A CB 0.030 18.981 19.000 -0.083 0.000 1.550 435 A HN 0.328 nan 8.150 nan 0.000 0.385 436 N N 2.596 121.346 118.700 0.082 0.000 3.254 436 N HA 0.153 4.895 4.740 0.003 0.000 0.308 436 N C -0.847 174.651 175.510 -0.019 0.000 1.281 436 N CA 0.150 53.253 53.050 0.088 0.000 1.212 436 N CB -0.553 37.940 38.487 0.010 0.000 1.478 436 N HN 0.434 nan 8.380 nan 0.000 0.548 437 N N 0.367 119.044 118.700 -0.038 0.000 2.431 437 N HA 0.078 4.819 4.740 0.003 0.000 0.275 437 N C 0.580 176.036 175.510 -0.090 0.000 1.091 437 N CA -0.359 52.636 53.050 -0.092 0.000 0.922 437 N CB 1.146 39.547 38.487 -0.143 0.000 1.666 437 N HN 0.381 nan 8.380 nan 0.000 0.484 438 R N 2.101 122.539 120.500 -0.103 0.000 2.241 438 R HA 0.022 4.364 4.340 0.003 0.000 0.224 438 R C 0.621 176.849 176.300 -0.121 0.000 1.101 438 R CA 0.915 56.951 56.100 -0.106 0.000 0.995 438 R CB -0.027 30.182 30.300 -0.152 0.000 0.870 438 R HN 0.420 nan 8.270 nan 0.000 0.463 439 R N 0.675 121.093 120.500 -0.138 0.000 2.299 439 R HA 0.254 4.596 4.340 0.003 0.000 0.197 439 R C 0.222 176.477 176.300 -0.075 0.000 0.971 439 R CA 0.227 56.265 56.100 -0.103 0.000 1.030 439 R CB 0.179 30.423 30.300 -0.092 0.000 0.932 439 R HN 0.205 nan 8.270 nan 0.000 0.477 440 I N 2.255 122.751 120.570 -0.125 0.000 2.301 440 I HA 0.071 4.243 4.170 0.003 0.000 0.292 440 I C -0.182 175.903 176.117 -0.052 0.000 1.046 440 I CA -0.614 60.598 61.300 -0.147 0.000 1.282 440 I CB 1.122 38.884 38.000 -0.398 0.000 1.409 440 I HN -0.076 nan 8.210 nan 0.000 0.484 441 E N 4.429 124.648 120.200 0.031 0.000 2.437 441 E HA -0.066 4.285 4.350 0.003 0.000 0.263 441 E C 0.608 177.240 176.600 0.053 0.000 1.030 441 E CA 0.158 56.592 56.400 0.056 0.000 0.934 441 E CB 0.473 30.221 29.700 0.081 0.000 0.943 441 E HN 0.403 nan 8.360 nan 0.000 0.444 442 D N 0.696 121.122 120.400 0.044 0.000 2.123 442 D HA -0.124 4.517 4.640 0.003 0.000 0.196 442 D C 0.400 176.738 176.300 0.064 0.000 0.992 442 D CA 0.922 54.929 54.000 0.012 0.000 0.833 442 D CB 0.005 40.823 40.800 0.029 0.000 0.954 442 D HN 0.143 nan 8.370 nan 0.000 0.455 443 L N 0.643 121.940 121.223 0.123 0.000 2.265 443 L HA 0.306 4.648 4.340 0.003 0.000 0.288 443 L C -0.801 176.186 176.870 0.195 0.000 1.058 443 L CA -0.314 54.615 54.840 0.148 0.000 0.809 443 L CB 0.859 43.007 42.059 0.148 0.000 1.179 443 L HN -0.082 nan 8.230 nan 0.000 0.429 444 H N 3.865 123.020 119.070 0.141 0.000 2.690 444 H HA 0.694 5.252 4.556 0.003 0.000 0.368 444 H C -1.423 174.029 175.328 0.206 0.000 1.150 444 H CA -0.642 55.511 56.048 0.175 0.000 1.174 444 H CB 1.501 31.390 29.762 0.211 0.000 1.684 444 H HN 0.608 nan 8.280 nan 0.000 0.538 445 L N 4.859 125.978 121.223 -0.173 0.000 2.319 445 L HA 0.308 4.650 4.340 0.003 0.000 0.281 445 L C -0.952 176.010 176.870 0.153 0.000 1.005 445 L CA -1.032 53.854 54.840 0.076 0.000 0.828 445 L CB 1.517 43.531 42.059 -0.074 0.000 1.227 445 L HN 0.357 nan 8.230 nan 0.000 0.415 446 L N 4.641 126.102 121.223 0.397 0.000 2.278 446 L HA 0.365 4.707 4.340 0.003 0.000 0.287 446 L C -0.136 176.942 176.870 0.347 0.000 1.072 446 L CA 0.141 55.196 54.840 0.358 0.000 0.819 446 L CB 1.348 43.579 42.059 0.287 0.000 1.176 446 L HN 0.266 nan 8.230 nan 0.000 0.435 447 V N 4.608 124.742 119.914 0.368 0.000 2.539 447 V HA 0.293 4.415 4.120 0.003 0.000 0.292 447 V C 0.366 176.722 176.094 0.437 0.000 1.045 447 V CA -0.915 61.641 62.300 0.428 0.000 0.945 447 V CB 1.549 33.636 31.823 0.440 0.000 0.993 447 V HN 0.723 nan 8.190 nan 0.000 0.464 448 E N 4.331 124.726 120.200 0.325 0.000 2.384 448 E HA 0.142 4.493 4.350 0.003 0.000 0.266 448 E C 0.452 177.052 176.600 0.001 0.000 1.012 448 E CA -0.652 55.845 56.400 0.162 0.000 0.901 448 E CB 0.583 30.354 29.700 0.117 0.000 0.967 448 E HN 0.685 nan 8.360 nan 0.000 0.435 449 R N 3.887 124.165 120.500 -0.371 0.000 2.638 449 R HA -0.052 4.290 4.340 0.003 0.000 0.268 449 R C 0.004 176.079 176.300 -0.374 0.000 1.006 449 R CA 0.576 56.090 56.100 -0.977 0.000 1.088 449 R CB 0.377 30.336 30.300 -0.568 0.000 0.950 449 R HN 0.863 nan 8.270 nan 0.000 0.419 450 R N -0.711 119.544 120.500 -0.408 0.000 3.728 450 R HA -0.168 4.174 4.340 0.003 0.000 0.478 450 R C -1.048 175.195 176.300 -0.095 0.000 0.932 450 R CA 1.696 57.747 56.100 -0.082 0.000 1.317 450 R CB -1.658 28.601 30.300 -0.068 0.000 1.987 450 R HN 0.703 nan 8.270 nan 0.000 0.509 451 W N 0.091 121.441 121.300 0.084 0.000 2.719 451 W HA 0.554 5.215 4.660 0.003 0.000 0.352 451 W C 0.704 177.377 176.519 0.256 0.000 1.085 451 W CA -0.419 56.998 57.345 0.120 0.000 1.187 451 W CB 0.822 30.343 29.460 0.102 0.000 1.417 451 W HN -0.005 nan 8.180 nan 0.000 0.557 452 H N -0.329 118.944 119.070 0.339 0.000 2.621 452 H HA 0.672 5.229 4.556 0.003 0.000 0.360 452 H C -1.004 174.389 175.328 0.109 0.000 1.163 452 H CA -1.120 55.018 56.048 0.151 0.000 1.194 452 H CB 2.090 31.866 29.762 0.024 0.000 1.649 452 H HN 0.008 nan 8.280 nan 0.000 0.532 453 V N 1.706 121.669 119.914 0.082 0.000 2.495 453 V HA 0.669 4.790 4.120 0.003 0.000 0.298 453 V C -0.391 175.595 176.094 -0.180 0.000 1.031 453 V CA -0.539 61.687 62.300 -0.123 0.000 0.871 453 V CB 1.308 32.954 31.823 -0.294 0.000 0.988 453 V HN 0.887 nan 8.190 nan 0.000 0.432 454 A N 3.784 126.490 122.820 -0.191 0.000 2.479 454 A HA 0.731 5.053 4.320 0.003 0.000 0.296 454 A C 0.662 178.279 177.584 0.056 0.000 1.121 454 A CA -0.668 51.325 52.037 -0.074 0.000 0.743 454 A CB 1.672 20.669 19.000 -0.005 0.000 1.323 454 A HN 0.769 nan 8.150 nan 0.000 0.415 455 R N 0.004 120.557 120.500 0.089 0.000 2.066 455 R HA -0.011 4.331 4.340 0.003 0.000 0.232 455 R C 0.325 176.751 176.300 0.210 0.000 1.131 455 R CA 2.079 58.239 56.100 0.100 0.000 0.955 455 R CB -0.094 30.235 30.300 0.047 0.000 0.851 455 R HN 0.765 nan 8.270 nan 0.000 0.432 456 K N -2.806 117.763 120.400 0.280 0.000 2.607 456 K HA 0.256 4.578 4.320 0.003 0.000 0.287 456 K C -2.685 173.910 176.600 -0.008 0.000 0.996 456 K CA -1.387 55.002 56.287 0.170 0.000 0.876 456 K CB 1.781 34.304 32.500 0.038 0.000 1.496 456 K HN -0.313 nan 8.250 nan 0.000 0.415 457 P HA -0.134 nan 4.420 nan 0.000 0.216 457 P C 1.172 178.363 177.300 -0.182 0.000 1.150 457 P CA 1.663 64.337 63.100 -0.711 0.000 0.837 457 P CB -0.247 31.018 31.700 -0.726 0.000 0.786 469 F N 0.173 120.054 119.950 -0.116 0.000 2.546 469 F HA 0.460 4.988 4.527 0.003 0.000 0.298 469 F C 0.690 176.483 175.800 -0.011 0.000 1.120 469 F CA 1.178 59.150 58.000 -0.047 0.000 1.456 469 F CB -0.925 38.087 39.000 0.022 0.000 1.088 469 F HN 0.784 nan 8.300 nan 0.000 0.572 470 F N -1.344 118.563 119.950 -0.071 0.000 2.565 470 F HA 0.642 5.170 4.527 0.003 0.000 0.313 470 F C -0.139 175.631 175.800 -0.050 0.000 1.091 470 F CA -1.751 56.208 58.000 -0.068 0.000 0.915 470 F CB 1.343 40.330 39.000 -0.022 0.000 1.208 470 F HN -0.050 nan 8.300 nan 0.000 0.453 471 Q N 2.231 122.094 119.800 0.106 0.000 2.113 471 Q HA 0.370 4.712 4.340 0.003 0.000 0.225 471 Q C 0.083 176.173 176.000 0.150 0.000 0.786 471 Q CA -0.138 55.684 55.803 0.032 0.000 0.989 471 Q CB 2.062 30.794 28.738 -0.010 0.000 1.174 471 Q HN 1.002 nan 8.270 nan 0.000 0.470 472 G N -0.159 108.786 108.800 0.242 0.000 2.571 472 G HA2 0.579 4.541 3.960 0.003 0.000 0.304 472 G HA3 0.579 4.541 3.960 0.003 0.000 0.304 472 G C -1.664 173.344 174.900 0.180 0.000 1.314 472 G CA -0.039 45.147 45.100 0.145 0.000 0.975 472 G HN -0.084 nan 8.290 nan 0.000 0.485 473 D N -1.296 119.174 120.400 0.117 0.000 2.713 473 D HA 0.540 5.181 4.640 0.003 0.000 0.306 473 D C -0.935 175.414 176.300 0.082 0.000 1.299 473 D CA -0.354 53.689 54.000 0.071 0.000 0.823 473 D CB 1.952 42.776 40.800 0.039 0.000 1.353 473 D HN 0.736 nan 8.370 nan 0.000 0.447 474 H N -2.349 116.675 119.070 -0.077 0.000 2.960 474 H HA 0.686 5.244 4.556 0.003 0.000 0.323 474 H C 0.380 175.477 175.328 -0.385 0.000 1.326 474 H CA -0.365 55.586 56.048 -0.162 0.000 1.124 474 H CB 1.574 31.239 29.762 -0.161 0.000 1.853 474 H HN 0.634 nan 8.280 nan 0.000 0.536 475 G N -0.826 107.825 108.800 -0.249 0.000 2.738 475 G HA2 -0.145 3.816 3.960 0.003 0.000 0.195 475 G HA3 -0.145 3.816 3.960 0.003 0.000 0.195 475 G C -0.418 174.368 174.900 -0.189 0.000 1.001 475 G CA -0.404 44.501 45.100 -0.325 0.000 0.759 475 G HN 0.427 nan 8.290 nan 0.000 0.494 476 F N 2.297 122.324 119.950 0.128 0.000 2.532 476 F HA 0.421 4.950 4.527 0.003 0.000 0.323 476 F C 1.139 177.138 175.800 0.332 0.000 1.234 476 F CA -0.212 57.925 58.000 0.229 0.000 1.323 476 F CB 0.242 39.339 39.000 0.161 0.000 1.183 476 F HN 0.008 nan 8.300 nan 0.000 0.589 477 D N 2.091 122.786 120.400 0.492 0.000 3.139 477 D HA -0.199 4.443 4.640 0.003 0.000 0.212 477 D C 1.030 177.460 176.300 0.218 0.000 1.084 477 D CA 0.188 54.293 54.000 0.175 0.000 0.777 477 D CB 0.178 41.002 40.800 0.040 0.000 1.156 477 D HN 0.611 nan 8.370 nan 0.000 0.537 478 N N 3.423 122.245 118.700 0.203 0.000 2.571 478 N HA -0.198 4.544 4.740 0.003 0.000 0.189 478 N C 1.130 176.704 175.510 0.107 0.000 1.154 478 N CA 0.650 53.809 53.050 0.182 0.000 0.907 478 N CB -0.225 38.384 38.487 0.202 0.000 0.977 478 N HN 0.639 nan 8.380 nan 0.000 0.449 479 K N -0.504 119.934 120.400 0.063 0.000 2.367 479 K HA 0.171 4.493 4.320 0.003 0.000 0.194 479 K C -0.086 176.521 176.600 0.011 0.000 1.027 479 K CA -0.300 56.005 56.287 0.031 0.000 1.075 479 K CB 0.285 32.794 32.500 0.015 0.000 0.845 479 K HN -0.126 nan 8.250 nan 0.000 0.529 480 V N 3.629 123.565 119.914 0.037 0.000 2.540 480 V HA -0.097 4.025 4.120 0.003 0.000 0.297 480 V C 0.894 176.974 176.094 -0.023 0.000 1.024 480 V CA -0.053 62.257 62.300 0.016 0.000 1.105 480 V CB 0.514 32.369 31.823 0.054 0.000 0.938 480 V HN 0.406 nan 8.190 nan 0.000 0.482 481 N N 3.434 122.096 118.700 -0.064 0.000 2.094 481 N HA -0.170 4.572 4.740 0.003 0.000 0.191 481 N C 2.114 177.569 175.510 -0.091 0.000 1.023 481 N CA 1.847 54.821 53.050 -0.126 0.000 0.857 481 N CB -0.312 38.112 38.487 -0.105 0.000 1.013 481 N HN 0.886 nan 8.380 nan 0.000 0.426 482 S N -0.435 115.249 115.700 -0.026 0.000 2.469 482 S HA -0.031 4.441 4.470 0.003 0.000 0.238 482 S C 1.647 176.255 174.600 0.013 0.000 0.998 482 S CA 0.722 58.916 58.200 -0.011 0.000 0.957 482 S CB -0.094 63.124 63.200 0.029 0.000 0.764 482 S HN 0.137 nan 8.310 nan 0.000 0.514 483 M N 0.858 120.492 119.600 0.057 0.000 2.541 483 M HA 0.273 4.755 4.480 0.003 0.000 0.252 483 M C 0.316 176.660 176.300 0.073 0.000 1.125 483 M CA 0.410 55.780 55.300 0.117 0.000 1.091 483 M CB -0.871 31.840 32.600 0.185 0.000 1.420 483 M HN 0.309 nan 8.290 nan 0.000 0.486 484 Q N 0.435 120.230 119.800 -0.009 0.000 2.421 484 Q HA 0.193 4.535 4.340 0.003 0.000 0.255 484 Q C 0.479 176.505 176.000 0.043 0.000 1.013 484 Q CA 0.488 56.292 55.803 0.002 0.000 0.895 484 Q CB 0.979 29.609 28.738 -0.179 0.000 1.271 484 Q HN 0.120 nan 8.270 nan 0.000 0.460 485 T N -0.722 113.893 114.554 0.103 0.000 2.676 485 T HA 0.661 5.013 4.350 0.003 0.000 0.269 485 T C -0.848 173.941 174.700 0.150 0.000 0.952 485 T CA -0.495 61.669 62.100 0.107 0.000 1.040 485 T CB 1.180 70.091 68.868 0.070 0.000 1.352 485 T HN 0.423 nan 8.240 nan 0.000 0.554 486 V N 0.555 120.548 119.914 0.132 0.000 2.732 486 V HA 0.911 5.033 4.120 0.003 0.000 0.310 486 V C -1.061 175.121 176.094 0.147 0.000 1.053 486 V CA -0.888 61.494 62.300 0.137 0.000 0.957 486 V CB 1.307 33.178 31.823 0.079 0.000 1.018 486 V HN 0.747 nan 8.190 nan 0.000 0.452 487 F N 2.876 122.851 119.950 0.043 0.000 2.573 487 F HA 0.819 5.348 4.527 0.003 0.000 0.316 487 F C -1.250 174.628 175.800 0.130 0.000 1.148 487 F CA -0.500 57.545 58.000 0.075 0.000 0.940 487 F CB 1.938 40.981 39.000 0.071 0.000 1.214 487 F HN 0.532 nan 8.300 nan 0.000 0.448 488 V N 4.460 123.845 119.914 -0.882 0.000 2.760 488 V HA 0.839 4.961 4.120 0.003 0.000 0.309 488 V C -0.215 175.165 176.094 -1.188 0.000 1.077 488 V CA -0.648 61.187 62.300 -0.775 0.000 0.910 488 V CB 1.859 33.506 31.823 -0.292 0.000 1.008 488 V HN 1.043 nan 8.190 nan 0.000 0.424 489 G N 2.183 110.326 108.800 -1.096 0.000 2.530 489 G HA2 0.640 4.601 3.960 0.003 0.000 0.316 489 G HA3 0.640 4.601 3.960 0.003 0.000 0.316 489 G C -1.963 172.504 174.900 -0.721 0.000 1.298 489 G CA -0.500 43.728 45.100 -1.453 0.000 0.948 489 G HN 0.664 nan 8.290 nan 0.000 0.486 490 Y N 1.711 121.795 120.300 -0.361 0.000 2.421 490 Y HA 0.680 5.231 4.550 0.001 0.000 0.339 490 Y C 0.250 176.291 175.900 0.234 0.000 0.996 490 Y CA 0.369 58.478 58.100 0.015 0.000 1.046 490 Y CB 2.116 40.566 38.460 -0.016 0.000 1.226 490 Y HN 1.257 nan 8.280 nan 0.000 0.445 491 G N 5.150 113.834 108.800 -0.194 0.000 2.369 491 G HA2 -0.003 3.959 3.960 0.003 0.000 0.295 491 G HA3 -0.003 3.959 3.960 0.003 0.000 0.295 491 G C -2.773 172.112 174.900 -0.024 0.000 1.298 491 G CA -0.506 44.551 45.100 -0.071 0.000 0.940 491 G HN 0.347 nan 8.290 nan 0.000 0.536 492 P HA -0.034 nan 4.420 nan 0.000 0.218 492 P C 1.480 178.760 177.300 -0.033 0.000 1.148 492 P CA 2.235 65.313 63.100 -0.037 0.000 0.822 492 P CB -0.025 31.656 31.700 -0.032 0.000 0.784 493 T N -1.669 112.845 114.554 -0.067 0.000 3.067 493 T HA 0.107 4.459 4.350 0.003 0.000 0.257 493 T C 0.665 175.217 174.700 -0.248 0.000 1.105 493 T CA 0.276 62.271 62.100 -0.176 0.000 1.104 493 T CB -0.382 68.328 68.868 -0.264 0.000 0.925 493 T HN -0.036 nan 8.240 nan 0.000 0.498 494 F N 1.634 121.601 119.950 0.029 0.000 2.370 494 F HA 0.375 4.902 4.527 0.000 0.000 0.319 494 F C 1.042 176.872 175.800 0.050 0.000 1.129 494 F CA -1.023 57.009 58.000 0.054 0.000 1.109 494 F CB 0.751 39.799 39.000 0.079 0.000 1.262 494 F HN -0.331 nan 8.300 nan 0.000 0.534 495 K N 0.418 121.001 120.400 0.305 0.000 2.180 495 K HA 0.094 4.415 4.320 0.003 0.000 0.251 495 K C -1.171 175.572 176.600 0.238 0.000 1.014 495 K CA -0.369 56.050 56.287 0.219 0.000 0.913 495 K CB 0.593 33.203 32.500 0.184 0.000 1.008 495 K HN 0.587 nan 8.250 nan 0.000 0.490 496 Y N 0.948 121.293 120.300 0.075 0.000 2.330 496 Y HA 0.132 4.681 4.550 -0.002 0.000 0.336 496 Y C -0.095 175.852 175.900 0.079 0.000 1.036 496 Y CA -0.415 57.719 58.100 0.056 0.000 1.125 496 Y CB 0.808 39.284 38.460 0.028 0.000 1.194 496 Y HN 0.592 nan 8.280 nan 0.000 0.469 497 R N 3.028 123.273 120.500 -0.425 0.000 3.225 497 R HA -0.169 4.172 4.340 0.003 0.000 0.245 497 R C -1.019 175.233 176.300 -0.080 0.000 0.928 497 R CA 1.113 57.007 56.100 -0.344 0.000 0.632 497 R CB -2.073 27.853 30.300 -0.623 0.000 1.038 497 R HN 0.673 nan 8.270 nan 0.000 0.461 498 T N 0.395 114.972 114.554 0.038 0.000 2.824 498 T HA 0.377 4.729 4.350 0.003 0.000 0.282 498 T C -0.211 174.534 174.700 0.075 0.000 0.993 498 T CA -0.768 61.377 62.100 0.074 0.000 0.967 498 T CB 2.374 71.304 68.868 0.103 0.000 0.960 498 T HN 0.174 nan 8.240 nan 0.000 0.441 499 K N 2.684 123.086 120.400 0.003 0.000 2.159 499 K HA 0.712 5.034 4.320 0.003 0.000 0.266 499 K C -0.478 176.082 176.600 -0.067 0.000 0.975 499 K CA -0.708 55.457 56.287 -0.203 0.000 0.865 499 K CB 0.866 33.248 32.500 -0.197 0.000 1.087 499 K HN 0.479 nan 8.250 nan 0.000 0.446 500 V N 0.878 120.759 119.914 -0.055 0.000 2.960 500 V HA 0.676 4.798 4.120 0.003 0.000 0.315 500 V C -2.713 173.429 176.094 0.080 0.000 1.087 500 V CA -2.756 59.612 62.300 0.112 0.000 0.982 500 V CB 1.218 33.185 31.823 0.239 0.000 1.039 500 V HN 0.714 nan 8.190 nan 0.000 0.437 501 P HA 0.319 nan 4.420 nan 0.000 0.270 501 P C -2.738 174.600 177.300 0.064 0.000 1.223 501 P CA -1.202 61.930 63.100 0.055 0.000 0.785 501 P CB -0.535 31.205 31.700 0.067 0.000 0.923 502 P HA 0.110 nan 4.420 nan 0.000 0.268 502 P C -0.790 176.485 177.300 -0.041 0.000 1.208 502 P CA 0.546 63.423 63.100 -0.372 0.000 0.777 502 P CB 0.058 31.150 31.700 -1.013 0.000 0.875 503 F N -1.958 117.926 119.950 -0.110 0.000 2.715 503 F HA 0.611 5.139 4.527 0.002 0.000 0.318 503 F C -0.681 175.111 175.800 -0.013 0.000 1.141 503 F CA -1.350 56.623 58.000 -0.045 0.000 0.950 503 F CB 1.087 40.047 39.000 -0.067 0.000 1.374 503 F HN 0.140 nan 8.300 nan 0.000 0.477 504 E N 0.906 121.268 120.200 0.269 0.000 2.242 504 E HA 0.160 4.512 4.350 0.003 0.000 0.275 504 E C 0.067 176.805 176.600 0.230 0.000 1.002 504 E CA -0.551 55.949 56.400 0.167 0.000 0.841 504 E CB 1.149 30.949 29.700 0.166 0.000 1.109 504 E HN 0.704 nan 8.360 nan 0.000 0.394 505 N N 3.276 122.058 118.700 0.137 0.000 2.453 505 N HA -0.176 4.566 4.740 0.003 0.000 0.183 505 N C 1.593 177.182 175.510 0.131 0.000 1.041 505 N CA 1.067 54.211 53.050 0.157 0.000 0.900 505 N CB -0.597 37.970 38.487 0.134 0.000 0.961 505 N HN 0.665 nan 8.380 nan 0.000 0.443 506 I N -2.432 118.183 120.570 0.076 0.000 2.700 506 I HA -0.017 4.155 4.170 0.003 0.000 0.261 506 I C 1.060 177.165 176.117 -0.020 0.000 1.219 506 I CA 1.198 62.477 61.300 -0.035 0.000 1.463 506 I CB -0.199 37.685 38.000 -0.194 0.000 1.092 506 I HN -0.130 nan 8.210 nan 0.000 0.452 507 E N 1.428 121.654 120.200 0.043 0.000 2.371 507 E HA 0.052 4.404 4.350 0.003 0.000 0.194 507 E C 2.263 178.831 176.600 -0.053 0.000 1.012 507 E CA 0.605 56.991 56.400 -0.023 0.000 0.860 507 E CB 0.007 29.681 29.700 -0.043 0.000 0.811 507 E HN 0.608 nan 8.360 nan 0.000 0.502 508 L N -0.061 121.185 121.223 0.039 0.000 2.156 508 L HA -0.135 4.207 4.340 0.003 0.000 0.208 508 L C 2.442 179.345 176.870 0.055 0.000 1.095 508 L CA 0.773 55.644 54.840 0.050 0.000 0.770 508 L CB -0.374 41.788 42.059 0.172 0.000 0.914 508 L HN 0.131 nan 8.230 nan 0.000 0.439 509 Y N 1.318 121.575 120.300 -0.071 0.000 2.114 509 Y HA -0.352 4.200 4.550 0.003 0.000 0.282 509 Y C 2.487 178.278 175.900 -0.181 0.000 1.165 509 Y CA 1.969 60.003 58.100 -0.110 0.000 1.148 509 Y CB -0.154 38.211 38.460 -0.159 0.000 0.972 509 Y HN 0.235 nan 8.280 nan 0.000 0.504 510 N N 0.078 118.619 118.700 -0.265 0.000 2.104 510 N HA -0.194 4.548 4.740 0.003 0.000 0.190 510 N C 1.900 177.160 175.510 -0.418 0.000 1.024 510 N CA 1.859 54.562 53.050 -0.579 0.000 0.853 510 N CB -0.669 37.351 38.487 -0.778 0.000 1.008 510 N HN 0.346 nan 8.380 nan 0.000 0.424 511 V N 1.488 121.265 119.914 -0.229 0.000 2.427 511 V HA -0.141 3.980 4.120 0.003 0.000 0.248 511 V C 2.302 178.350 176.094 -0.076 0.000 1.051 511 V CA 1.222 63.453 62.300 -0.115 0.000 1.048 511 V CB -0.395 31.379 31.823 -0.082 0.000 0.666 511 V HN 0.280 nan 8.190 nan 0.000 0.456 512 M N -1.184 118.375 119.600 -0.069 0.000 2.175 512 M HA -0.180 4.301 4.480 0.003 0.000 0.264 512 M C 2.401 178.628 176.300 -0.123 0.000 1.063 512 M CA 1.555 56.841 55.300 -0.023 0.000 1.119 512 M CB -0.738 31.888 32.600 0.044 0.000 1.377 512 M HN 0.400 nan 8.290 nan 0.000 0.415 513 C N 0.780 119.904 119.300 -0.293 0.000 2.432 513 C HA -0.150 4.311 4.460 0.003 0.000 0.277 513 C C 2.285 177.191 174.990 -0.141 0.000 1.249 513 C CA 0.883 59.723 59.018 -0.296 0.000 1.725 513 C CB -0.982 26.463 27.740 -0.491 0.000 2.028 513 C HN 0.543 nan 8.230 nan 0.000 0.477 514 D N 0.948 121.287 120.400 -0.101 0.000 2.116 514 D HA -0.124 4.518 4.640 0.003 0.000 0.193 514 D C 1.919 178.199 176.300 -0.033 0.000 0.998 514 D CA 1.244 55.236 54.000 -0.013 0.000 0.836 514 D CB -0.538 40.281 40.800 0.032 0.000 0.951 514 D HN 0.445 nan 8.370 nan 0.000 0.449 515 L N -0.083 121.109 121.223 -0.052 0.000 2.353 515 L HA -0.078 4.264 4.340 0.003 0.000 0.220 515 L C 1.991 178.860 176.870 -0.003 0.000 1.133 515 L CA 0.484 55.296 54.840 -0.046 0.000 0.798 515 L CB -0.051 41.987 42.059 -0.034 0.000 0.922 515 L HN 0.006 nan 8.230 nan 0.000 0.445 516 L N -1.186 120.034 121.223 -0.006 0.000 2.766 516 L HA 0.303 4.644 4.340 0.003 0.000 0.242 516 L C 1.318 178.186 176.870 -0.003 0.000 1.136 516 L CA 0.255 55.100 54.840 0.009 0.000 0.933 516 L CB 0.282 42.345 42.059 0.008 0.000 1.241 516 L HN 0.318 nan 8.230 nan 0.000 0.522 517 G N 1.091 109.886 108.800 -0.008 0.000 2.160 517 G HA2 -0.270 3.691 3.960 0.003 0.000 0.251 517 G HA3 -0.270 3.691 3.960 0.003 0.000 0.251 517 G C 0.069 174.962 174.900 -0.012 0.000 1.008 517 G CA 0.067 45.167 45.100 -0.001 0.000 0.724 517 G HN 0.229 nan 8.290 nan 0.000 0.514 518 L N -0.612 120.587 121.223 -0.040 0.000 2.360 518 L HA 0.510 4.852 4.340 0.003 0.000 0.271 518 L C 0.761 177.593 176.870 -0.064 0.000 1.057 518 L CA -0.861 53.940 54.840 -0.064 0.000 0.803 518 L CB 1.256 43.245 42.059 -0.116 0.000 1.207 518 L HN -0.017 nan 8.230 nan 0.000 0.445 519 K N 3.080 123.451 120.400 -0.048 0.000 2.262 519 K HA 0.302 4.623 4.320 0.003 0.000 0.282 519 K C -2.321 174.232 176.600 -0.079 0.000 1.066 519 K CA -1.662 54.604 56.287 -0.034 0.000 0.901 519 K CB 0.809 33.312 32.500 0.006 0.000 1.089 519 K HN 0.238 nan 8.250 nan 0.000 0.476 520 P HA 0.015 nan 4.420 nan 0.000 0.271 520 P C -0.636 176.692 177.300 0.046 0.000 1.216 520 P CA -0.331 62.699 63.100 -0.116 0.000 0.776 520 P CB 0.833 32.390 31.700 -0.238 0.000 0.881 521 A N 5.063 127.980 122.820 0.163 0.000 2.386 521 A HA 0.363 4.685 4.320 0.003 0.000 0.246 521 A C -2.040 175.552 177.584 0.013 0.000 1.089 521 A CA -1.099 50.969 52.037 0.051 0.000 0.790 521 A CB -1.547 17.447 19.000 -0.011 0.000 1.042 521 A HN 0.422 nan 8.150 nan 0.000 0.497 522 P HA 0.165 nan 4.420 nan 0.000 0.264 522 P C -0.652 176.577 177.300 -0.117 0.000 1.193 522 P CA 0.438 63.504 63.100 -0.057 0.000 0.763 522 P CB 0.286 31.955 31.700 -0.051 0.000 0.810 523 N N 0.820 119.448 118.700 -0.120 0.000 3.243 523 N HA 0.254 4.996 4.740 0.003 0.000 0.280 523 N C -0.405 174.993 175.510 -0.187 0.000 1.545 523 N CA -0.884 52.047 53.050 -0.198 0.000 0.854 523 N CB 0.452 38.779 38.487 -0.267 0.000 1.612 523 N HN -0.024 nan 8.380 nan 0.000 0.577 524 N N -1.851 116.681 118.700 -0.280 0.000 2.280 524 N HA 0.207 4.949 4.740 0.003 0.000 0.192 524 N C 0.450 175.835 175.510 -0.208 0.000 1.109 524 N CA -0.109 52.750 53.050 -0.319 0.000 0.855 524 N CB 0.427 38.454 38.487 -0.766 0.000 0.974 524 N HN 0.593 nan 8.380 nan 0.000 0.482 525 G N -0.131 108.569 108.800 -0.166 0.000 2.699 525 G HA2 0.157 4.118 3.960 0.003 0.000 0.246 525 G HA3 0.157 4.118 3.960 0.003 0.000 0.246 525 G C -0.410 174.470 174.900 -0.034 0.000 1.219 525 G CA -0.061 44.983 45.100 -0.093 0.000 0.866 525 G HN -0.002 nan 8.290 nan 0.000 0.572 526 T N 0.355 114.905 114.554 -0.006 0.000 2.893 526 T HA 0.220 4.572 4.350 0.003 0.000 0.324 526 T C -0.194 174.531 174.700 0.041 0.000 1.082 526 T CA -0.215 61.904 62.100 0.033 0.000 0.983 526 T CB 0.224 69.116 68.868 0.040 0.000 1.005 526 T HN 0.576 nan 8.240 nan 0.000 0.475 527 H N 1.788 120.801 119.070 -0.096 0.000 2.955 527 H HA 0.400 4.958 4.556 0.002 0.000 0.290 527 H C 1.371 176.697 175.328 -0.003 0.000 1.047 527 H CA 0.950 56.882 56.048 -0.193 0.000 1.484 527 H CB 0.128 29.564 29.762 -0.544 0.000 1.501 527 H HN 0.993 nan 8.280 nan 0.000 0.521 528 G N 2.421 111.355 108.800 0.223 0.000 2.316 528 G HA2 -0.367 3.595 3.960 0.003 0.000 0.203 528 G HA3 -0.367 3.595 3.960 0.003 0.000 0.203 528 G C 1.353 176.272 174.900 0.031 0.000 0.999 528 G CA 0.356 45.532 45.100 0.127 0.000 0.649 528 G HN 0.668 nan 8.290 nan 0.000 0.489 529 S N 0.083 115.790 115.700 0.012 0.000 2.474 529 S HA 0.216 4.688 4.470 0.003 0.000 0.235 529 S C 1.764 176.379 174.600 0.024 0.000 0.997 529 S CA 1.298 59.505 58.200 0.013 0.000 0.949 529 S CB -0.159 63.046 63.200 0.008 0.000 0.766 529 S HN 0.554 nan 8.310 nan 0.000 0.517 530 L N 1.018 122.180 121.223 -0.101 0.000 2.965 530 L HA 0.352 4.694 4.340 0.003 0.000 0.254 530 L C 1.134 177.831 176.870 -0.288 0.000 1.220 530 L CA -0.267 54.363 54.840 -0.350 0.000 1.023 530 L CB -0.270 41.489 42.059 -0.500 0.000 1.355 530 L HN 0.153 nan 8.230 nan 0.000 0.545 531 N N 0.637 119.295 118.700 -0.070 0.000 2.289 531 N HA -0.183 4.559 4.740 0.003 0.000 0.184 531 N C 1.810 177.306 175.510 -0.024 0.000 1.016 531 N CA 1.099 54.135 53.050 -0.024 0.000 0.872 531 N CB -0.130 38.376 38.487 0.031 0.000 0.973 531 N HN 0.551 nan 8.380 nan 0.000 0.433 532 H N -1.048 118.007 119.070 -0.024 0.000 2.559 532 H HA 0.044 4.601 4.556 0.002 0.000 0.273 532 H C 1.274 176.622 175.328 0.032 0.000 1.000 532 H CA 0.344 56.390 56.048 -0.002 0.000 1.195 532 H CB -0.204 29.550 29.762 -0.013 0.000 1.368 532 H HN 0.090 nan 8.280 nan 0.000 0.592 533 L N 0.724 121.790 121.223 -0.260 0.000 2.492 533 L HA 0.169 4.511 4.340 0.003 0.000 0.223 533 L C 0.744 177.698 176.870 0.140 0.000 1.132 533 L CA 0.577 55.406 54.840 -0.020 0.000 0.850 533 L CB -0.036 42.011 42.059 -0.020 0.000 0.966 533 L HN 0.171 nan 8.230 nan 0.000 0.454 534 L N -1.066 120.173 121.223 0.026 0.000 2.329 534 L HA 0.376 4.718 4.340 0.003 0.000 0.279 534 L C 1.407 178.280 176.870 0.004 0.000 1.014 534 L CA -0.404 54.421 54.840 -0.025 0.000 0.814 534 L CB 2.078 44.079 42.059 -0.097 0.000 1.257 534 L HN -0.044 nan 8.230 nan 0.000 0.424 535 R N 0.832 121.330 120.500 -0.003 0.000 2.093 535 R HA 0.013 4.354 4.340 0.003 0.000 0.224 535 R C 0.565 176.857 176.300 -0.014 0.000 1.101 535 R CA 1.180 57.286 56.100 0.009 0.000 0.979 535 R CB 0.430 30.738 30.300 0.014 0.000 0.877 535 R HN 0.729 nan 8.270 nan 0.000 0.441 536 T N -2.013 112.516 114.554 -0.042 0.000 2.681 536 T HA 0.244 4.595 4.350 0.003 0.000 0.296 536 T C -1.162 173.506 174.700 -0.054 0.000 1.157 536 T CA -0.275 61.802 62.100 -0.038 0.000 1.025 536 T CB 1.456 70.305 68.868 -0.032 0.000 1.441 536 T HN 0.379 nan 8.240 nan 0.000 0.504 537 N N 0.628 119.307 118.700 -0.035 0.000 2.850 537 N HA -0.127 4.615 4.740 0.003 0.000 0.249 537 N C 0.006 175.514 175.510 -0.004 0.000 1.060 537 N CA 1.532 54.567 53.050 -0.026 0.000 0.825 537 N CB -1.897 36.560 38.487 -0.050 0.000 1.132 537 N HN 0.980 nan 8.380 nan 0.000 0.564 538 T N -2.201 112.349 114.554 -0.007 0.000 2.900 538 T HA 0.299 4.651 4.350 0.003 0.000 0.307 538 T C 0.199 174.923 174.700 0.040 0.000 1.065 538 T CA -0.525 61.584 62.100 0.015 0.000 1.105 538 T CB 0.870 69.735 68.868 -0.005 0.000 0.979 538 T HN 0.203 nan 8.240 nan 0.000 0.544 539 F N 1.978 121.846 119.950 -0.136 0.000 2.410 539 F HA 0.436 4.965 4.527 0.002 0.000 0.349 539 F C 0.645 176.327 175.800 -0.196 0.000 1.117 539 F CA -1.437 56.414 58.000 -0.248 0.000 1.104 539 F CB 1.016 39.631 39.000 -0.641 0.000 1.122 539 F HN 0.659 nan 8.300 nan 0.000 0.483 540 R N 8.203 128.224 120.500 -0.798 0.000 2.248 540 R HA 0.339 4.681 4.340 0.003 0.000 0.337 540 R C -2.557 173.243 176.300 -0.834 0.000 1.085 540 R CA -1.678 54.071 56.100 -0.585 0.000 0.934 540 R CB 0.263 30.357 30.300 -0.343 0.000 1.034 540 R HN 0.408 nan 8.270 nan 0.000 0.465 541 P HA 0.135 nan 4.420 nan 0.000 0.277 541 P C -0.935 176.444 177.300 0.132 0.000 1.240 541 P CA -0.293 62.749 63.100 -0.098 0.000 0.798 541 P CB 1.429 33.128 31.700 -0.002 0.000 0.979 542 T N -0.351 114.331 114.554 0.214 0.000 2.861 542 T HA 0.417 4.769 4.350 0.003 0.000 0.287 542 T C -0.317 174.485 174.700 0.171 0.000 1.003 542 T CA -0.957 61.225 62.100 0.137 0.000 0.977 542 T CB 0.647 69.535 68.868 0.034 0.000 0.996 542 T HN 0.120 nan 8.240 nan 0.000 0.448 543 L N 4.955 126.110 121.223 -0.113 0.000 2.490 543 L HA 0.362 4.704 4.340 0.003 0.000 0.274 543 L C -1.748 175.113 176.870 -0.016 0.000 1.201 543 L CA -1.242 53.472 54.840 -0.209 0.000 0.869 543 L CB -0.262 41.582 42.059 -0.359 0.000 1.123 543 L HN 0.606 nan 8.230 nan 0.000 0.484 544 P HA 0.086 nan 4.420 nan 0.000 0.269 544 P C -0.902 176.411 177.300 0.023 0.000 1.209 544 P CA -0.258 62.876 63.100 0.057 0.000 0.776 544 P CB 0.449 32.196 31.700 0.078 0.000 0.876 545 E N 0.707 120.925 120.200 0.031 0.000 2.289 545 E HA 0.082 4.433 4.350 0.003 0.000 0.278 545 E C 0.179 176.798 176.600 0.031 0.000 1.032 545 E CA -0.386 56.029 56.400 0.025 0.000 0.854 545 E CB 0.559 30.276 29.700 0.028 0.000 1.046 545 E HN 0.404 nan 8.360 nan 0.000 0.409 546 E N 2.302 122.520 120.200 0.030 0.000 2.414 546 E HA -0.036 4.316 4.350 0.003 0.000 0.263 546 E C 0.062 176.689 176.600 0.045 0.000 1.000 546 E CA -0.146 56.277 56.400 0.039 0.000 0.914 546 E CB 0.761 30.494 29.700 0.055 0.000 0.948 546 E HN 0.312 nan 8.360 nan 0.000 0.444 547 V N 2.578 122.517 119.914 0.041 0.000 2.922 547 V HA 0.050 4.172 4.120 0.003 0.000 0.242 547 V C 0.083 176.202 176.094 0.041 0.000 1.094 547 V CA 0.555 62.879 62.300 0.041 0.000 1.106 547 V CB 0.858 32.709 31.823 0.046 0.000 0.799 547 V HN 0.530 nan 8.190 nan 0.000 0.474 548 S N 0.744 116.474 115.700 0.049 0.000 2.596 548 S HA 0.688 5.160 4.470 0.003 0.000 0.318 548 S C 0.119 174.831 174.600 0.187 0.000 1.097 548 S CA -0.481 57.778 58.200 0.100 0.000 1.080 548 S CB 1.384 64.641 63.200 0.095 0.000 0.991 548 S HN 0.515 nan 8.310 nan 0.000 0.471 549 R N 3.617 124.172 120.500 0.092 0.000 2.490 549 R HA 0.723 5.065 4.340 0.003 0.000 0.278 549 R C -2.811 173.382 176.300 -0.178 0.000 1.069 549 R CA -1.720 54.408 56.100 0.047 0.000 1.080 549 R CB -1.123 29.209 30.300 0.054 0.000 1.030 549 R HN 0.530 nan 8.270 nan 0.000 0.491 550 P HA 0.249 nan 4.420 nan 0.000 0.278 550 P C -1.075 175.928 177.300 -0.494 0.000 1.258 550 P CA -0.767 61.777 63.100 -0.928 0.000 0.811 550 P CB 0.859 31.921 31.700 -1.065 0.000 1.063 551 N N 0.509 118.912 118.700 -0.495 0.000 2.509 551 N HA 0.173 4.915 4.740 0.003 0.000 0.287 551 N C -0.742 174.569 175.510 -0.333 0.000 1.121 551 N CA 0.026 52.943 53.050 -0.223 0.000 0.977 551 N CB 0.525 38.923 38.487 -0.147 0.000 1.167 551 N HN 0.419 nan 8.380 nan 0.000 0.476 552 Y N 0.887 121.156 120.300 -0.053 0.000 2.915 552 Y HA 0.277 4.828 4.550 0.003 0.000 0.350 552 Y C -1.695 174.210 175.900 0.008 0.000 1.061 552 Y CA -1.829 56.261 58.100 -0.016 0.000 1.179 552 Y CB 0.230 38.721 38.460 0.052 0.000 1.180 552 Y HN 0.278 nan 8.280 nan 0.000 0.605 553 P HA 0.244 nan 4.420 nan 0.000 0.276 553 P C 0.486 177.835 177.300 0.083 0.000 1.235 553 P CA 0.096 63.245 63.100 0.081 0.000 0.772 553 P CB 1.786 33.527 31.700 0.069 0.000 0.871 554 G N 2.630 111.475 108.800 0.075 0.000 2.525 554 G HA2 0.430 4.392 3.960 0.003 0.000 0.287 554 G HA3 0.430 4.392 3.960 0.003 0.000 0.287 554 G C 0.055 174.989 174.900 0.058 0.000 1.350 554 G CA -1.082 44.053 45.100 0.059 0.000 1.039 554 G HN 0.512 nan 8.290 nan 0.000 0.513 555 I N 0.063 120.662 120.570 0.047 0.000 2.683 555 I HA -0.005 4.167 4.170 0.003 0.000 0.286 555 I C 0.545 176.662 176.117 0.000 0.000 1.175 555 I CA 0.610 61.947 61.300 0.061 0.000 1.429 555 I CB 0.903 38.933 38.000 0.051 0.000 1.371 555 I HN 0.349 nan 8.210 nan 0.000 0.569 556 M N 5.783 125.361 119.600 -0.038 0.000 2.268 556 M HA 0.255 4.736 4.480 0.003 0.000 0.355 556 M C -0.806 175.061 176.300 -0.722 0.000 0.938 556 M CA 0.178 55.250 55.300 -0.381 0.000 1.025 556 M CB 0.515 32.806 32.600 -0.513 0.000 1.773 556 M HN 0.397 nan 8.290 nan 0.000 0.613 557 Y N -1.041 119.282 120.300 0.039 0.000 2.669 557 Y HA 0.774 5.326 4.550 0.003 0.000 0.335 557 Y C -0.893 175.052 175.900 0.075 0.000 1.116 557 Y CA -1.456 56.655 58.100 0.018 0.000 1.081 557 Y CB 1.175 39.614 38.460 -0.035 0.000 1.297 557 Y HN -0.274 nan 8.280 nan 0.000 0.484 558 L N 0.329 121.700 121.223 0.246 0.000 2.354 558 L HA 0.533 4.874 4.340 0.003 0.000 0.264 558 L C 1.277 178.325 176.870 0.297 0.000 1.008 558 L CA -0.355 54.608 54.840 0.205 0.000 0.819 558 L CB 1.514 43.639 42.059 0.110 0.000 1.339 558 L HN 0.852 nan 8.230 nan 0.000 0.420 559 Q N 0.582 120.542 119.800 0.266 0.000 2.152 559 Q HA -0.210 4.131 4.340 0.003 0.000 0.206 559 Q C 1.772 177.942 176.000 0.283 0.000 0.985 559 Q CA 2.310 58.291 55.803 0.296 0.000 0.863 559 Q CB -1.308 27.518 28.738 0.147 0.000 0.904 559 Q HN 0.856 nan 8.270 nan 0.000 0.422 560 S N 0.161 115.960 115.700 0.165 0.000 2.500 560 S HA -0.121 4.351 4.470 0.003 0.000 0.239 560 S C 1.117 175.761 174.600 0.073 0.000 0.989 560 S CA 1.024 59.288 58.200 0.106 0.000 0.951 560 S CB -0.051 63.188 63.200 0.064 0.000 0.759 560 S HN 0.658 nan 8.310 nan 0.000 0.523 561 D N 0.608 121.036 120.400 0.045 0.000 2.317 561 D HA 0.157 4.799 4.640 0.003 0.000 0.211 561 D C -0.453 175.634 176.300 -0.356 0.000 0.966 561 D CA 0.503 54.395 54.000 -0.181 0.000 0.876 561 D CB -0.061 40.569 40.800 -0.283 0.000 0.927 561 D HN 0.433 nan 8.370 nan 0.000 0.519 562 F N 0.308 120.256 119.950 -0.003 0.000 2.436 562 F HA 0.394 4.922 4.527 0.003 0.000 0.340 562 F C 0.986 176.781 175.800 -0.009 0.000 1.113 562 F CA -0.723 57.263 58.000 -0.023 0.000 1.022 562 F CB 1.518 40.505 39.000 -0.022 0.000 1.128 562 F HN -0.268 nan 8.300 nan 0.000 0.466 563 D N 4.230 124.716 120.400 0.143 0.000 2.863 563 D HA 0.486 5.128 4.640 0.003 0.000 0.323 563 D C 0.583 176.939 176.300 0.094 0.000 1.286 563 D CA -0.127 53.929 54.000 0.094 0.000 0.921 563 D CB -0.218 40.607 40.800 0.042 0.000 1.024 563 D HN 0.660 nan 8.370 nan 0.000 0.505 564 L N -0.428 120.867 121.223 0.120 0.000 2.529 564 L HA 0.382 4.723 4.340 0.003 0.000 0.223 564 L C 2.329 179.239 176.870 0.067 0.000 1.113 564 L CA 0.776 55.672 54.840 0.095 0.000 0.861 564 L CB 0.536 42.653 42.059 0.096 0.000 1.012 564 L HN 0.594 nan 8.230 nan 0.000 0.461 565 G N -0.524 108.313 108.800 0.061 0.000 2.157 565 G HA2 -0.238 3.723 3.960 0.003 0.000 0.239 565 G HA3 -0.238 3.723 3.960 0.003 0.000 0.239 565 G C 0.292 175.223 174.900 0.052 0.000 0.982 565 G CA -0.025 45.108 45.100 0.055 0.000 0.650 565 G HN 0.310 nan 8.290 nan 0.000 0.527 566 c N 0.631 119.256 118.600 0.041 0.000 2.470 566 c HA 0.944 5.515 4.570 0.003 0.000 0.350 566 c C 0.917 175.025 174.090 0.030 0.000 1.341 566 c CA 0.551 56.896 56.329 0.027 0.000 2.440 566 c CB 1.005 43.515 42.510 -0.001 0.000 2.295 566 c HN 1.207 nan 8.230 nan 0.000 0.645 567 T N -1.768 112.801 114.554 0.025 0.000 2.932 567 T HA 0.551 4.903 4.350 0.003 0.000 0.318 567 T C -1.313 173.391 174.700 0.007 0.000 1.265 567 T CA -0.599 61.515 62.100 0.023 0.000 1.036 567 T CB 1.174 70.061 68.868 0.031 0.000 1.209 567 T HN 1.000 nan 8.240 nan 0.000 0.484 568 c N 4.283 122.889 118.600 0.009 0.000 2.789 568 c HA 0.681 5.253 4.570 0.003 0.000 0.367 568 c C -0.999 173.114 174.090 0.038 0.000 1.062 568 c CA -0.415 55.907 56.329 -0.011 0.000 1.297 568 c CB -0.426 42.074 42.510 -0.017 0.000 1.794 568 c HN 1.138 nan 8.230 nan 0.000 0.474 588 E N 1.500 121.807 120.200 0.178 0.000 2.114 588 E HA -0.254 4.097 4.350 0.003 0.000 0.199 588 E C 1.715 178.404 176.600 0.148 0.000 1.008 588 E CA 2.068 58.630 56.400 0.271 0.000 0.810 588 E CB -0.017 29.870 29.700 0.313 0.000 0.739 588 E HN 0.424 nan 8.360 nan 0.000 0.456 589 E N -0.376 119.861 120.200 0.063 0.000 2.110 589 E HA -0.184 4.168 4.350 0.003 0.000 0.193 589 E C 2.001 178.586 176.600 -0.025 0.000 0.988 589 E CA 1.454 57.862 56.400 0.014 0.000 0.804 589 E CB -0.083 29.612 29.700 -0.008 0.000 0.745 589 E HN 0.133 nan 8.360 nan 0.000 0.458 590 R N -0.633 119.833 120.500 -0.057 0.000 2.100 590 R HA -0.012 4.330 4.340 0.003 0.000 0.220 590 R C 1.554 177.743 176.300 -0.184 0.000 1.091 590 R CA 1.448 57.448 56.100 -0.167 0.000 0.986 590 R CB -0.116 30.010 30.300 -0.290 0.000 0.888 590 R HN 0.214 nan 8.270 nan 0.000 0.444 591 H N -0.827 118.308 119.070 0.109 0.000 2.592 591 H HA 0.290 4.848 4.556 0.003 0.000 0.265 591 H C -0.173 175.241 175.328 0.144 0.000 0.955 591 H CA 0.324 56.470 56.048 0.164 0.000 1.175 591 H CB 0.591 30.502 29.762 0.247 0.000 1.433 591 H HN 0.098 nan 8.280 nan 0.000 0.537 592 L N 1.983 123.316 121.223 0.184 0.000 2.502 592 L HA 0.194 4.536 4.340 0.003 0.000 0.247 592 L C 0.992 177.806 176.870 -0.093 0.000 1.180 592 L CA -0.107 54.781 54.840 0.080 0.000 0.956 592 L CB 1.070 43.212 42.059 0.139 0.000 1.282 592 L HN 0.009 nan 8.230 nan 0.000 0.470 593 L N 0.672 121.686 121.223 -0.349 0.000 2.191 593 L HA -0.146 4.195 4.340 0.003 0.000 0.212 593 L C 0.786 177.299 176.870 -0.596 0.000 1.103 593 L CA 1.560 56.041 54.840 -0.599 0.000 0.769 593 L CB -0.314 41.176 42.059 -0.948 0.000 0.908 593 L HN 0.595 nan 8.230 nan 0.000 0.438 594 Y N -0.444 119.919 120.300 0.105 0.000 2.696 594 Y HA 0.566 5.118 4.550 0.003 0.000 0.260 594 Y C 1.111 177.060 175.900 0.081 0.000 1.165 594 Y CA -0.432 57.746 58.100 0.130 0.000 1.189 594 Y CB -0.093 38.509 38.460 0.237 0.000 1.180 594 Y HN 0.084 nan 8.280 nan 0.000 0.538 595 G N 1.739 110.598 108.800 0.098 0.000 2.730 595 G HA2 -0.190 3.772 3.960 0.003 0.000 0.686 595 G HA3 -0.190 3.772 3.960 0.003 0.000 0.686 595 G C -0.472 174.442 174.900 0.023 0.000 1.343 595 G CA -0.809 44.339 45.100 0.079 0.000 0.826 595 G HN 0.561 nan 8.290 nan 0.000 0.582 596 R N 0.718 121.228 120.500 0.017 0.000 2.539 596 R HA 0.580 4.921 4.340 0.003 0.000 0.275 596 R C -2.405 173.778 176.300 -0.195 0.000 1.077 596 R CA -1.102 54.925 56.100 -0.121 0.000 1.097 596 R CB 0.435 30.791 30.300 0.093 0.000 1.018 596 R HN 0.333 nan 8.270 nan 0.000 0.483 597 P HA 0.038 nan 4.420 nan 0.000 0.268 597 P C -0.961 176.200 177.300 -0.233 0.000 1.205 597 P CA -0.056 62.765 63.100 -0.465 0.000 0.771 597 P CB 0.945 32.142 31.700 -0.839 0.000 0.858 598 A N 3.091 125.801 122.820 -0.184 0.000 2.331 598 A HA 0.358 4.680 4.320 0.003 0.000 0.283 598 A C -0.173 177.350 177.584 -0.102 0.000 1.142 598 A CA -0.476 51.520 52.037 -0.068 0.000 0.812 598 A CB 0.220 19.198 19.000 -0.037 0.000 1.074 598 A HN 0.385 nan 8.150 nan 0.000 0.497 599 V N 4.173 124.052 119.914 -0.059 0.000 2.408 599 V HA 0.110 4.232 4.120 0.003 0.000 0.267 599 V C 0.650 176.700 176.094 -0.074 0.000 1.047 599 V CA 0.169 62.378 62.300 -0.153 0.000 0.937 599 V CB 0.798 32.395 31.823 -0.376 0.000 0.999 599 V HN 0.786 nan 8.190 nan 0.000 0.472 600 L N 6.818 128.061 121.223 0.034 0.000 2.791 600 L HA 0.322 4.664 4.340 0.003 0.000 0.239 600 L C -0.086 176.908 176.870 0.206 0.000 1.203 600 L CA -0.122 54.778 54.840 0.100 0.000 1.002 600 L CB -0.565 41.554 42.059 0.100 0.000 1.295 600 L HN 0.780 nan 8.230 nan 0.000 0.504 601 Y N -3.384 116.935 120.300 0.031 0.000 2.677 601 Y HA 0.752 5.304 4.550 0.003 0.000 0.334 601 Y C 0.021 175.960 175.900 0.065 0.000 1.154 601 Y CA -1.884 56.244 58.100 0.046 0.000 1.070 601 Y CB 0.557 39.045 38.460 0.047 0.000 1.294 601 Y HN -0.206 nan 8.280 nan 0.000 0.475 602 R N 0.823 121.415 120.500 0.153 0.000 2.210 602 R HA 0.709 5.051 4.340 0.003 0.000 0.338 602 R C -0.552 175.785 176.300 0.062 0.000 1.062 602 R CA 0.271 56.408 56.100 0.063 0.000 0.902 602 R CB 0.070 30.424 30.300 0.090 0.000 1.050 602 R HN 1.039 nan 8.270 nan 0.000 0.461 603 T N -0.390 114.144 114.554 -0.034 0.000 2.700 603 T HA 0.526 4.878 4.350 0.003 0.000 0.307 603 T C -1.355 173.364 174.700 0.032 0.000 1.580 603 T CA 0.229 62.330 62.100 0.001 0.000 0.992 603 T CB 1.637 70.483 68.868 -0.036 0.000 1.577 603 T HN 0.868 nan 8.240 nan 0.000 0.496 604 S N 1.621 117.337 115.700 0.027 0.000 2.552 604 S HA 0.790 5.262 4.470 0.003 0.000 0.314 604 S C -1.317 173.319 174.600 0.060 0.000 1.099 604 S CA -0.566 57.635 58.200 0.001 0.000 1.070 604 S CB 0.011 63.144 63.200 -0.111 0.000 0.998 604 S HN 0.711 nan 8.310 nan 0.000 0.474 605 Y N 1.003 121.226 120.300 -0.129 0.000 2.597 605 Y HA 0.768 5.320 4.550 0.003 0.000 0.340 605 Y C -1.424 174.404 175.900 -0.120 0.000 1.097 605 Y CA -1.198 56.832 58.100 -0.117 0.000 1.037 605 Y CB 1.086 39.483 38.460 -0.106 0.000 1.305 605 Y HN 0.325 nan 8.280 nan 0.000 0.463 606 D N 2.726 123.078 120.400 -0.080 0.000 2.375 606 D HA 0.338 4.979 4.640 0.003 0.000 0.247 606 D C -0.391 175.765 176.300 -0.240 0.000 1.061 606 D CA -0.276 53.599 54.000 -0.208 0.000 0.834 606 D CB 2.532 43.303 40.800 -0.048 0.000 1.247 606 D HN 0.456 nan 8.370 nan 0.000 0.489 607 I N 2.164 122.449 120.570 -0.474 0.000 2.471 607 I HA 0.105 4.277 4.170 0.003 0.000 0.286 607 I C -0.149 175.697 176.117 -0.451 0.000 1.079 607 I CA -0.268 60.741 61.300 -0.484 0.000 1.398 607 I CB 0.225 37.804 38.000 -0.701 0.000 1.403 607 I HN 0.130 nan 8.210 nan 0.000 0.530 608 L N 8.343 129.333 121.223 -0.388 0.000 2.349 608 L HA 0.411 4.753 4.340 0.003 0.000 0.278 608 L C -0.462 176.162 176.870 -0.410 0.000 0.996 608 L CA -0.777 53.866 54.840 -0.328 0.000 0.825 608 L CB 1.146 43.167 42.059 -0.064 0.000 1.243 608 L HN 0.276 nan 8.230 nan 0.000 0.412 609 Y N 2.492 122.636 120.300 -0.261 0.000 2.352 609 Y HA 0.636 5.187 4.550 0.003 0.000 0.326 609 Y C 0.143 175.647 175.900 -0.661 0.000 1.166 609 Y CA -0.412 57.546 58.100 -0.237 0.000 1.182 609 Y CB 1.279 39.684 38.460 -0.092 0.000 1.216 609 Y HN 0.565 nan 8.280 nan 0.000 0.474 610 H N -1.974 116.976 119.070 -0.200 0.000 2.990 610 H HA 0.299 4.856 4.556 0.003 0.000 0.343 610 H C 0.644 175.840 175.328 -0.221 0.000 1.270 610 H CA -0.625 55.188 56.048 -0.392 0.000 1.118 610 H CB 1.176 30.301 29.762 -1.062 0.000 1.861 610 H HN 0.532 nan 8.280 nan 0.000 0.544 611 T N -0.178 114.353 114.554 -0.038 0.000 2.635 611 T HA -0.152 4.200 4.350 0.003 0.000 0.267 611 T C 0.660 175.408 174.700 0.081 0.000 1.040 611 T CA 2.073 64.190 62.100 0.029 0.000 1.156 611 T CB -0.186 68.702 68.868 0.034 0.000 0.863 611 T HN 0.574 nan 8.240 nan 0.000 0.430 612 D N 0.083 120.409 120.400 -0.123 0.000 2.379 612 D HA 0.259 4.900 4.640 0.003 0.000 0.208 612 D C 0.108 175.910 176.300 -0.830 0.000 1.065 612 D CA 0.098 53.942 54.000 -0.261 0.000 0.848 612 D CB 0.330 40.929 40.800 -0.334 0.000 0.949 612 D HN 0.535 nan 8.370 nan 0.000 0.509 613 F N -0.908 118.573 119.950 -0.782 0.000 2.713 613 F HA 0.584 5.112 4.527 0.003 0.000 0.311 613 F C -1.153 174.629 175.800 -0.030 0.000 1.141 613 F CA -1.285 56.356 58.000 -0.598 0.000 0.939 613 F CB 1.665 40.249 39.000 -0.693 0.000 1.325 613 F HN -0.341 nan 8.300 nan 0.000 0.453 614 E N 1.024 121.407 120.200 0.305 0.000 2.312 614 E HA 0.741 5.093 4.350 0.003 0.000 0.267 614 E C -1.653 175.196 176.600 0.414 0.000 0.894 614 E CA -0.918 55.689 56.400 0.345 0.000 0.773 614 E CB 2.363 32.339 29.700 0.460 0.000 1.241 614 E HN 0.925 nan 8.360 nan 0.000 0.432 615 S N 0.967 116.721 115.700 0.089 0.000 2.564 615 S HA 0.691 5.163 4.470 0.003 0.000 0.274 615 S C -0.336 173.744 174.600 -0.868 0.000 1.124 615 S CA -0.772 57.259 58.200 -0.282 0.000 0.869 615 S CB 1.600 64.854 63.200 0.090 0.000 1.105 615 S HN 0.552 nan 8.310 nan 0.000 0.472 616 G N 1.161 108.974 108.800 -1.646 0.000 2.607 616 G HA2 0.446 4.407 3.960 0.003 0.000 0.332 616 G HA3 0.446 4.407 3.960 0.003 0.000 0.332 616 G C -1.058 173.621 174.900 -0.369 0.000 1.046 616 G CA -0.489 44.019 45.100 -0.987 0.000 1.099 616 G HN 0.677 nan 8.290 nan 0.000 0.451 617 Y N 3.349 123.539 120.300 -0.184 0.000 2.365 617 Y HA 0.479 5.031 4.550 0.003 0.000 0.340 617 Y C 0.656 176.582 175.900 0.044 0.000 1.016 617 Y CA -0.425 57.650 58.100 -0.040 0.000 1.196 617 Y CB 1.361 39.818 38.460 -0.004 0.000 1.167 617 Y HN 0.396 nan 8.280 nan 0.000 0.509 618 S N 4.876 120.291 115.700 -0.474 0.000 2.489 618 S HA 0.149 4.621 4.470 0.003 0.000 0.277 618 S C 0.692 175.067 174.600 -0.375 0.000 1.230 618 S CA -0.547 57.520 58.200 -0.222 0.000 1.053 618 S CB 0.554 63.772 63.200 0.030 0.000 0.955 618 S HN 0.911 nan 8.310 nan 0.000 0.488 619 E N 3.910 123.990 120.200 -0.201 0.000 2.358 619 E HA -0.039 4.312 4.350 0.003 0.000 0.195 619 E C 1.151 177.589 176.600 -0.271 0.000 1.010 619 E CA 0.557 56.774 56.400 -0.304 0.000 0.856 619 E CB 0.090 29.341 29.700 -0.748 0.000 0.795 619 E HN 0.672 nan 8.360 nan 0.000 0.504 620 I N -0.385 120.018 120.570 -0.279 0.000 2.494 620 I HA -0.075 4.097 4.170 0.003 0.000 0.250 620 I C 1.559 177.365 176.117 -0.519 0.000 1.112 620 I CA 1.041 62.086 61.300 -0.426 0.000 1.438 620 I CB -0.512 37.103 38.000 -0.641 0.000 1.111 620 I HN 0.031 nan 8.210 nan 0.000 0.431 621 F N 0.663 120.564 119.950 -0.083 0.000 2.727 621 F HA 0.323 4.852 4.527 0.003 0.000 0.302 621 F C 1.194 176.977 175.800 -0.028 0.000 1.097 621 F CA 0.020 57.975 58.000 -0.074 0.000 1.330 621 F CB -0.132 38.798 39.000 -0.117 0.000 1.084 621 F HN -0.137 nan 8.300 nan 0.000 0.578 622 L N 0.327 121.549 121.223 -0.001 0.000 4.089 622 L HA -0.257 4.085 4.340 0.003 0.000 0.408 622 L C -0.339 176.539 176.870 0.013 0.000 1.184 622 L CA 0.327 55.196 54.840 0.048 0.000 0.947 622 L CB -2.367 39.808 42.059 0.193 0.000 2.066 622 L HN 0.435 nan 8.230 nan 0.000 0.851 623 M N -4.110 115.325 119.600 -0.275 0.000 2.833 623 M HA 0.702 5.184 4.480 0.003 0.000 0.270 623 M C -3.011 173.151 176.300 -0.230 0.000 1.209 623 M CA -1.831 53.419 55.300 -0.084 0.000 0.826 623 M CB 1.878 34.574 32.600 0.160 0.000 1.657 623 M HN -0.318 nan 8.290 nan 0.000 0.492 624 P HA 0.212 nan 4.420 nan 0.000 0.268 624 P C 0.208 177.540 177.300 0.054 0.000 1.205 624 P CA -0.211 62.897 63.100 0.012 0.000 0.771 624 P CB 0.542 32.308 31.700 0.110 0.000 0.858 625 L N 1.370 122.598 121.223 0.008 0.000 2.313 625 L HA 0.092 4.434 4.340 0.003 0.000 0.214 625 L C 0.665 177.796 176.870 0.434 0.000 1.119 625 L CA 0.761 55.714 54.840 0.189 0.000 0.809 625 L CB -0.354 41.789 42.059 0.141 0.000 0.933 625 L HN 0.537 nan 8.230 nan 0.000 0.449 626 W N -2.156 119.306 121.300 0.271 0.000 3.419 626 W HA 0.467 5.130 4.660 0.004 0.000 0.298 626 W C -1.501 175.202 176.519 0.307 0.000 1.260 626 W CA -0.790 56.758 57.345 0.338 0.000 1.199 626 W CB 0.701 30.413 29.460 0.420 0.000 1.349 626 W HN -0.461 nan 8.180 nan 0.000 0.557 627 T N 2.267 117.208 114.554 0.646 0.000 2.879 627 T HA 0.412 4.764 4.350 0.003 0.000 0.290 627 T C -1.065 174.058 174.700 0.705 0.000 0.993 627 T CA -0.393 62.050 62.100 0.572 0.000 0.975 627 T CB 1.861 70.952 68.868 0.372 0.000 0.981 627 T HN 0.486 nan 8.240 nan 0.000 0.439 628 S N 3.033 119.190 115.700 0.762 0.000 2.532 628 S HA 0.821 5.293 4.470 0.003 0.000 0.299 628 S C -1.538 173.411 174.600 0.582 0.000 1.105 628 S CA -0.664 57.896 58.200 0.599 0.000 1.018 628 S CB 0.425 63.952 63.200 0.545 0.000 1.021 628 S HN 0.659 nan 8.310 nan 0.000 0.483 629 Y N 0.022 120.524 120.300 0.337 0.000 2.581 629 Y HA 0.736 5.288 4.550 0.003 0.000 0.337 629 Y C -0.776 175.369 175.900 0.408 0.000 1.108 629 Y CA -1.044 57.227 58.100 0.285 0.000 1.033 629 Y CB 0.806 39.402 38.460 0.226 0.000 1.318 629 Y HN 0.354 nan 8.280 nan 0.000 0.459 630 T N 4.402 119.379 114.554 0.704 0.000 2.823 630 T HA 0.614 4.966 4.350 0.003 0.000 0.279 630 T C -0.903 174.037 174.700 0.401 0.000 0.998 630 T CA -0.549 61.780 62.100 0.381 0.000 0.994 630 T CB 0.991 69.998 68.868 0.232 0.000 0.960 630 T HN 0.511 nan 8.240 nan 0.000 0.448 631 I N 3.528 124.256 120.570 0.264 0.000 2.411 631 I HA 0.274 4.445 4.170 0.003 0.000 0.284 631 I C 0.957 177.163 176.117 0.148 0.000 1.012 631 I CA -0.707 60.733 61.300 0.234 0.000 1.119 631 I CB 1.382 39.507 38.000 0.208 0.000 1.261 631 I HN 0.753 nan 8.210 nan 0.000 0.448 632 S N 5.764 121.542 115.700 0.130 0.000 2.584 632 S HA 0.122 4.593 4.470 0.003 0.000 0.270 632 S C 1.234 175.878 174.600 0.073 0.000 1.346 632 S CA -0.264 57.991 58.200 0.092 0.000 1.018 632 S CB 1.443 64.690 63.200 0.078 0.000 0.899 632 S HN 0.766 nan 8.310 nan 0.000 0.542 633 K N 0.895 121.333 120.400 0.063 0.000 2.147 633 K HA -0.162 4.160 4.320 0.003 0.000 0.205 633 K C 1.477 178.098 176.600 0.035 0.000 1.049 633 K CA 1.589 57.905 56.287 0.050 0.000 0.936 633 K CB -0.257 32.275 32.500 0.053 0.000 0.722 633 K HN 0.725 nan 8.250 nan 0.000 0.446 634 Q N 0.477 120.300 119.800 0.039 0.000 2.403 634 Q HA 0.226 4.568 4.340 0.003 0.000 0.203 634 Q C 0.095 176.114 176.000 0.031 0.000 0.932 634 Q CA 0.344 56.165 55.803 0.031 0.000 0.945 634 Q CB 0.605 29.362 28.738 0.033 0.000 1.045 634 Q HN 0.354 nan 8.270 nan 0.000 0.511 635 A N 0.984 123.828 122.820 0.040 0.000 2.555 635 A HA 0.372 4.694 4.320 0.003 0.000 0.233 635 A C 0.288 177.885 177.584 0.020 0.000 1.060 635 A CA 0.570 52.635 52.037 0.046 0.000 0.759 635 A CB -0.154 18.887 19.000 0.068 0.000 0.995 635 A HN 0.378 nan 8.150 nan 0.000 0.506 636 E N 1.194 121.409 120.200 0.024 0.000 2.166 636 E HA 0.541 4.893 4.350 0.003 0.000 0.275 636 E C -0.857 175.743 176.600 -0.001 0.000 0.941 636 E CA -0.706 55.699 56.400 0.008 0.000 0.784 636 E CB 1.516 31.227 29.700 0.019 0.000 1.115 636 E HN 0.869 nan 8.360 nan 0.000 0.399 637 V N 2.973 122.872 119.914 -0.026 0.000 2.432 637 V HA 0.522 4.644 4.120 0.003 0.000 0.275 637 V C 0.503 176.594 176.094 -0.006 0.000 1.043 637 V CA -0.079 62.199 62.300 -0.036 0.000 0.925 637 V CB 1.077 32.843 31.823 -0.095 0.000 0.985 637 V HN 0.913 nan 8.190 nan 0.000 0.466 638 S N 3.661 119.376 115.700 0.025 0.000 2.664 638 S HA 0.693 5.165 4.470 0.003 0.000 0.304 638 S C -0.104 174.554 174.600 0.097 0.000 1.099 638 S CA -0.768 57.457 58.200 0.042 0.000 1.003 638 S CB 1.758 64.978 63.200 0.033 0.000 1.092 638 S HN 0.583 nan 8.310 nan 0.000 0.525 639 S N 0.476 116.226 115.700 0.084 0.000 2.655 639 S HA 0.477 4.949 4.470 0.003 0.000 0.265 639 S C -0.045 174.593 174.600 0.063 0.000 1.240 639 S CA -0.769 57.507 58.200 0.126 0.000 0.986 639 S CB 0.017 63.263 63.200 0.076 0.000 0.985 639 S HN 0.658 nan 8.310 nan 0.000 0.562 640 I N 2.289 122.888 120.570 0.048 0.000 2.321 640 I HA 0.290 4.461 4.170 0.003 0.000 0.291 640 I C -2.233 173.868 176.117 -0.028 0.000 0.998 640 I CA -2.195 59.081 61.300 -0.040 0.000 1.227 640 I CB 1.193 39.142 38.000 -0.085 0.000 1.368 640 I HN 0.352 nan 8.210 nan 0.000 0.466 641 P HA 0.117 nan 4.420 nan 0.000 0.269 641 P C 0.827 178.054 177.300 -0.123 0.000 1.209 641 P CA 0.046 63.105 63.100 -0.069 0.000 0.776 641 P CB 0.679 32.315 31.700 -0.107 0.000 0.876 642 E N 1.105 121.319 120.200 0.023 0.000 2.209 642 E HA -0.259 4.093 4.350 0.003 0.000 0.196 642 E C 1.521 178.129 176.600 0.013 0.000 0.993 642 E CA 2.128 58.544 56.400 0.026 0.000 0.819 642 E CB -1.593 28.147 29.700 0.066 0.000 0.745 642 E HN 0.898 nan 8.360 nan 0.000 0.477 643 H N -1.535 117.511 119.070 -0.040 0.000 2.529 643 H HA 0.330 4.887 4.556 0.003 0.000 0.277 643 H C 1.784 177.044 175.328 -0.113 0.000 0.999 643 H CA 0.748 56.766 56.048 -0.051 0.000 1.256 643 H CB 0.009 29.754 29.762 -0.029 0.000 1.402 643 H HN 0.332 nan 8.280 nan 0.000 0.566 644 L N 0.668 121.510 121.223 -0.635 0.000 2.628 644 L HA 0.147 4.488 4.340 0.003 0.000 0.229 644 L C 1.430 178.030 176.870 -0.450 0.000 1.137 644 L CA -0.000 54.418 54.840 -0.702 0.000 0.909 644 L CB 0.091 41.549 42.059 -1.002 0.000 1.137 644 L HN 0.317 nan 8.230 nan 0.000 0.470 645 T N 0.020 114.448 114.554 -0.210 0.000 2.665 645 T HA -0.151 4.200 4.350 0.003 0.000 0.268 645 T C 1.415 176.116 174.700 0.001 0.000 1.035 645 T CA 1.433 63.494 62.100 -0.064 0.000 1.151 645 T CB -0.081 68.774 68.868 -0.023 0.000 0.862 645 T HN 0.312 nan 8.240 nan 0.000 0.438 646 N N 0.475 119.166 118.700 -0.015 0.000 2.275 646 N HA 0.133 4.875 4.740 0.003 0.000 0.236 646 N C -0.228 175.314 175.510 0.054 0.000 1.154 646 N CA -0.109 52.995 53.050 0.089 0.000 0.866 646 N CB 0.166 38.711 38.487 0.097 0.000 1.093 646 N HN 0.329 nan 8.380 nan 0.000 0.515 647 c N 1.772 120.292 118.600 -0.134 0.000 2.657 647 c HA 0.329 4.900 4.570 0.003 0.000 0.404 647 c C 0.353 174.433 174.090 -0.015 0.000 1.369 647 c CA -0.099 56.084 56.329 -0.243 0.000 1.665 647 c CB -1.310 40.755 42.510 -0.741 0.000 2.453 647 c HN 0.023 nan 8.230 nan 0.000 0.599 648 V N 8.348 128.284 119.914 0.036 0.000 2.656 648 V HA 0.629 4.750 4.120 0.003 0.000 0.307 648 V C -0.141 175.966 176.094 0.021 0.000 1.051 648 V CA -0.575 61.773 62.300 0.080 0.000 0.893 648 V CB 1.824 33.647 31.823 0.000 0.000 0.999 648 V HN 0.852 nan 8.190 nan 0.000 0.426 649 R N 3.919 124.435 120.500 0.027 0.000 2.740 649 R HA 0.556 4.898 4.340 0.003 0.000 0.282 649 R C -2.861 173.359 176.300 -0.132 0.000 0.969 649 R CA -1.997 54.087 56.100 -0.027 0.000 0.918 649 R CB 2.220 32.541 30.300 0.035 0.000 1.175 649 R HN 0.386 nan 8.270 nan 0.000 0.464 650 P HA -0.035 nan 4.420 nan 0.000 0.272 650 P C -0.914 176.093 177.300 -0.488 0.000 1.223 650 P CA -0.040 62.650 63.100 -0.683 0.000 0.784 650 P CB 0.549 31.463 31.700 -1.312 0.000 0.923 651 D N 1.518 121.640 120.400 -0.464 0.000 2.392 651 D HA 0.065 4.707 4.640 0.003 0.000 0.228 651 D C 1.021 177.324 176.300 0.005 0.000 1.074 651 D CA -0.495 53.405 54.000 -0.166 0.000 0.838 651 D CB 1.115 41.838 40.800 -0.128 0.000 1.067 651 D HN 0.103 nan 8.370 nan 0.000 0.511 652 V N 2.885 122.860 119.914 0.102 0.000 3.241 652 V HA -0.034 4.088 4.120 0.003 0.000 0.269 652 V C 1.517 177.805 176.094 0.323 0.000 1.151 652 V CA 0.985 63.467 62.300 0.304 0.000 1.158 652 V CB -0.597 31.361 31.823 0.224 0.000 0.764 652 V HN 0.370 nan 8.190 nan 0.000 0.508 653 R N 0.040 120.654 120.500 0.191 0.000 2.254 653 R HA 0.372 4.714 4.340 0.003 0.000 0.195 653 R C 0.042 176.477 176.300 0.225 0.000 0.957 653 R CA 0.196 56.402 56.100 0.177 0.000 1.024 653 R CB 0.491 30.827 30.300 0.061 0.000 0.952 653 R HN 0.499 nan 8.270 nan 0.000 0.484 654 V N 0.753 120.777 119.914 0.184 0.000 2.555 654 V HA 0.184 4.306 4.120 0.003 0.000 0.302 654 V C 0.153 176.288 176.094 0.069 0.000 1.038 654 V CA -1.032 61.355 62.300 0.144 0.000 0.887 654 V CB 1.839 33.636 31.823 -0.044 0.000 0.991 654 V HN 0.139 nan 8.190 nan 0.000 0.434 655 S N 5.942 121.642 115.700 -0.001 0.000 2.563 655 S HA 0.146 4.618 4.470 0.003 0.000 0.284 655 S C -1.110 173.322 174.600 -0.278 0.000 1.331 655 S CA -0.473 57.409 58.200 -0.529 0.000 1.047 655 S CB 0.923 63.980 63.200 -0.238 0.000 0.859 655 S HN 0.628 nan 8.310 nan 0.000 0.514 656 P HA -0.026 nan 4.420 nan 0.000 0.216 656 P C 1.526 178.759 177.300 -0.112 0.000 1.150 656 P CA 1.664 64.653 63.100 -0.185 0.000 0.837 656 P CB -0.523 30.886 31.700 -0.484 0.000 0.786 657 G N -1.334 107.294 108.800 -0.287 0.000 2.443 657 G HA2 -0.184 3.778 3.960 0.003 0.000 0.219 657 G HA3 -0.184 3.778 3.960 0.003 0.000 0.219 657 G C 0.892 175.653 174.900 -0.232 0.000 1.131 657 G CA 0.058 44.965 45.100 -0.323 0.000 0.775 657 G HN 0.272 nan 8.290 nan 0.000 0.547 658 F N 1.393 121.369 119.950 0.044 0.000 2.713 658 F HA 0.372 4.901 4.527 0.003 0.000 0.294 658 F C 0.561 176.487 175.800 0.210 0.000 1.152 658 F CA -0.626 57.446 58.000 0.121 0.000 1.385 658 F CB 0.539 39.628 39.000 0.149 0.000 0.981 658 F HN -0.079 nan 8.300 nan 0.000 0.514 659 S N -0.335 115.540 115.700 0.292 0.000 2.566 659 S HA 0.381 4.853 4.470 0.003 0.000 0.298 659 S C -0.292 174.439 174.600 0.218 0.000 1.083 659 S CA -0.893 57.470 58.200 0.270 0.000 0.978 659 S CB 2.003 65.325 63.200 0.204 0.000 1.073 659 S HN 0.170 nan 8.310 nan 0.000 0.491 660 Q N 1.132 121.069 119.800 0.228 0.000 2.500 660 Q HA 0.321 4.663 4.340 0.003 0.000 0.215 660 Q C -0.356 175.729 176.000 0.141 0.000 1.062 660 Q CA -0.331 55.586 55.803 0.190 0.000 0.996 660 Q CB 0.307 29.196 28.738 0.252 0.000 1.239 660 Q HN 0.761 nan 8.270 nan 0.000 0.578 661 N N -2.010 116.759 118.700 0.115 0.000 2.260 661 N HA 0.258 5.000 4.740 0.003 0.000 0.293 661 N C -0.724 174.856 175.510 0.117 0.000 1.058 661 N CA -0.712 52.394 53.050 0.093 0.000 0.824 661 N CB 1.051 39.575 38.487 0.061 0.000 1.551 661 N HN 0.444 nan 8.380 nan 0.000 0.475 662 c N 0.769 119.438 118.600 0.116 0.000 2.456 662 c HA 0.009 4.581 4.570 0.003 0.000 0.279 662 c C 2.271 176.451 174.090 0.150 0.000 1.427 662 c CA -0.108 56.320 56.329 0.165 0.000 1.778 662 c CB -1.504 41.047 42.510 0.068 0.000 1.842 662 c HN 0.835 nan 8.230 nan 0.000 0.531 663 L N 2.232 123.505 121.223 0.083 0.000 2.079 663 L HA -0.078 4.264 4.340 0.003 0.000 0.210 663 L C 2.561 179.450 176.870 0.033 0.000 1.081 663 L CA 2.241 57.117 54.840 0.059 0.000 0.752 663 L CB -0.698 41.384 42.059 0.037 0.000 0.896 663 L HN 0.258 nan 8.230 nan 0.000 0.433 664 A N -1.321 121.482 122.820 -0.029 0.000 1.902 664 A HA -0.230 4.092 4.320 0.003 0.000 0.217 664 A C 2.113 179.602 177.584 -0.158 0.000 1.181 664 A CA 1.907 53.864 52.037 -0.134 0.000 0.623 664 A CB -1.053 17.796 19.000 -0.252 0.000 0.818 664 A HN 0.577 nan 8.150 nan 0.000 0.443 665 Y N -0.030 120.311 120.300 0.068 0.000 2.163 665 Y HA -0.120 4.431 4.550 0.003 0.000 0.288 665 Y C 3.008 178.971 175.900 0.106 0.000 1.136 665 Y CA 1.970 60.134 58.100 0.107 0.000 1.147 665 Y CB -0.324 38.235 38.460 0.166 0.000 0.987 665 Y HN 0.357 nan 8.280 nan 0.000 0.509 666 K N 1.012 121.552 120.400 0.234 0.000 2.152 666 K HA -0.243 4.079 4.320 0.003 0.000 0.206 666 K C 1.516 178.183 176.600 0.112 0.000 1.048 666 K CA 1.990 58.374 56.287 0.162 0.000 0.933 666 K CB -1.651 30.924 32.500 0.124 0.000 0.721 666 K HN 0.763 nan 8.250 nan 0.000 0.447 667 N N -0.378 118.371 118.700 0.082 0.000 2.376 667 N HA -0.102 4.640 4.740 0.003 0.000 0.177 667 N C 0.333 175.874 175.510 0.051 0.000 1.024 667 N CA 0.376 53.457 53.050 0.052 0.000 0.893 667 N CB 0.206 38.709 38.487 0.027 0.000 0.980 667 N HN 0.338 nan 8.380 nan 0.000 0.439 668 D N 0.321 120.755 120.400 0.056 0.000 2.336 668 D HA 0.103 4.745 4.640 0.003 0.000 0.249 668 D C 0.790 177.148 176.300 0.096 0.000 1.213 668 D CA 0.087 54.125 54.000 0.063 0.000 0.870 668 D CB 1.507 42.333 40.800 0.043 0.000 1.076 668 D HN 0.427 nan 8.370 nan 0.000 0.483 669 K N 3.123 123.575 120.400 0.085 0.000 2.365 669 K HA -0.096 4.225 4.320 0.003 0.000 0.199 669 K C 1.721 178.387 176.600 0.109 0.000 1.045 669 K CA 1.195 57.535 56.287 0.087 0.000 0.962 669 K CB -0.264 32.276 32.500 0.066 0.000 0.759 669 K HN 0.622 nan 8.250 nan 0.000 0.469 670 Q N -2.028 117.856 119.800 0.139 0.000 2.378 670 Q HA 0.279 4.621 4.340 0.003 0.000 0.229 670 Q C 0.150 176.314 176.000 0.273 0.000 0.882 670 Q CA -0.151 55.774 55.803 0.204 0.000 0.936 670 Q CB 0.580 29.458 28.738 0.234 0.000 1.092 670 Q HN 0.495 nan 8.270 nan 0.000 0.535 671 M N 0.483 120.195 119.600 0.187 0.000 2.205 671 M HA 0.306 4.788 4.480 0.003 0.000 0.344 671 M C -0.442 175.997 176.300 0.230 0.000 1.085 671 M CA -0.151 55.226 55.300 0.128 0.000 1.001 671 M CB 1.743 34.368 32.600 0.042 0.000 1.626 671 M HN -0.119 nan 8.290 nan 0.000 0.442 672 S N 3.406 119.205 115.700 0.166 0.000 2.618 672 S HA 0.842 5.313 4.470 0.003 0.000 0.284 672 S C -1.393 173.190 174.600 -0.029 0.000 1.102 672 S CA -0.416 57.831 58.200 0.079 0.000 0.984 672 S CB 0.640 63.795 63.200 -0.075 0.000 1.280 672 S HN 0.704 nan 8.310 nan 0.000 0.525 673 Y N -2.001 118.098 120.300 -0.336 0.000 2.625 673 Y HA 0.848 5.400 4.550 0.003 0.000 0.338 673 Y C -0.203 175.388 175.900 -0.515 0.000 1.123 673 Y CA -0.746 57.017 58.100 -0.563 0.000 1.046 673 Y CB 0.789 38.614 38.460 -1.058 0.000 1.299 673 Y HN 0.788 nan 8.280 nan 0.000 0.464 674 G N 0.373 108.919 108.800 -0.424 0.000 2.866 674 G HA2 0.674 4.636 3.960 0.003 0.000 0.289 674 G HA3 0.674 4.636 3.960 0.003 0.000 0.289 674 G C -2.431 172.104 174.900 -0.609 0.000 1.396 674 G CA -1.096 43.701 45.100 -0.506 0.000 0.848 674 G HN 0.445 nan 8.290 nan 0.000 0.515 675 F N -0.140 119.857 119.950 0.078 0.000 2.520 675 F HA 0.479 5.008 4.527 0.003 0.000 0.322 675 F C 1.240 177.112 175.800 0.120 0.000 1.103 675 F CA -0.875 57.137 58.000 0.020 0.000 0.926 675 F CB 2.137 41.077 39.000 -0.101 0.000 1.154 675 F HN 0.225 nan 8.300 nan 0.000 0.453 676 L N 1.093 122.448 121.223 0.221 0.000 2.027 676 L HA -0.080 4.262 4.340 0.003 0.000 0.206 676 L C 0.602 177.547 176.870 0.124 0.000 1.074 676 L CA 1.184 56.177 54.840 0.255 0.000 0.745 676 L CB -0.114 42.051 42.059 0.177 0.000 0.898 676 L HN 0.443 nan 8.230 nan 0.000 0.433 677 F N 3.333 123.041 119.950 -0.403 0.000 2.424 677 F HA 0.320 4.849 4.527 0.003 0.000 0.356 677 F C -2.131 173.324 175.800 -0.575 0.000 1.110 677 F CA -3.165 54.356 58.000 -0.799 0.000 1.161 677 F CB 0.656 38.699 39.000 -1.595 0.000 1.115 677 F HN -0.219 nan 8.300 nan 0.000 0.507 678 P HA 0.209 nan 4.420 nan 0.000 0.282 678 P C -2.524 174.190 177.300 -0.977 0.000 1.274 678 P CA -1.587 61.032 63.100 -0.802 0.000 0.770 678 P CB 1.282 32.650 31.700 -0.552 0.000 0.867 679 P HA -0.190 nan 4.420 nan 0.000 0.217 679 P C 1.029 177.997 177.300 -0.553 0.000 1.148 679 P CA 1.667 64.307 63.100 -0.767 0.000 0.834 679 P CB -0.561 30.544 31.700 -0.992 0.000 0.783 680 Y N -1.511 118.573 120.300 -0.359 0.000 2.384 680 Y HA -0.100 4.452 4.550 0.003 0.000 0.289 680 Y C 1.773 177.520 175.900 -0.256 0.000 1.152 680 Y CA 0.549 58.486 58.100 -0.272 0.000 1.258 680 Y CB -0.926 37.361 38.460 -0.288 0.000 0.979 680 Y HN -0.041 nan 8.280 nan 0.000 0.549 681 L N -0.235 120.845 121.223 -0.238 0.000 2.910 681 L HA 0.188 4.530 4.340 0.003 0.000 0.252 681 L C 0.675 177.583 176.870 0.064 0.000 1.195 681 L CA -0.449 54.305 54.840 -0.143 0.000 1.003 681 L CB -0.135 41.766 42.059 -0.263 0.000 1.328 681 L HN 0.004 nan 8.230 nan 0.000 0.540 682 S N -0.675 115.068 115.700 0.072 0.000 2.558 682 S HA -0.031 4.441 4.470 0.003 0.000 0.287 682 S C 1.421 176.114 174.600 0.154 0.000 1.321 682 S CA 0.050 58.366 58.200 0.193 0.000 1.048 682 S CB 1.103 64.358 63.200 0.092 0.000 0.844 682 S HN 0.398 nan 8.310 nan 0.000 0.512 683 S N 1.476 117.273 115.700 0.161 0.000 2.414 683 S HA 0.153 4.625 4.470 0.003 0.000 0.227 683 S C 0.709 175.368 174.600 0.098 0.000 1.022 683 S CA 0.240 58.516 58.200 0.126 0.000 0.958 683 S CB -0.747 62.528 63.200 0.126 0.000 0.797 683 S HN 1.389 nan 8.310 nan 0.000 0.493 684 S N -0.420 115.341 115.700 0.102 0.000 2.588 684 S HA 0.533 5.004 4.470 0.003 0.000 0.269 684 S C -3.050 171.625 174.600 0.125 0.000 1.157 684 S CA -1.235 57.023 58.200 0.097 0.000 0.824 684 S CB 1.259 64.508 63.200 0.081 0.000 1.126 684 S HN -0.076 nan 8.310 nan 0.000 0.464 685 P HA -0.089 nan 4.420 nan 0.000 0.218 685 P C 0.964 178.450 177.300 0.310 0.000 1.148 685 P CA 1.417 64.648 63.100 0.219 0.000 0.822 685 P CB -0.083 31.735 31.700 0.196 0.000 0.784 686 E N 0.003 120.310 120.200 0.179 0.000 2.072 686 E HA -0.125 4.227 4.350 0.003 0.000 0.191 686 E C 2.077 178.784 176.600 0.179 0.000 0.985 686 E CA 1.276 57.753 56.400 0.129 0.000 0.801 686 E CB -0.955 28.779 29.700 0.057 0.000 0.750 686 E HN 0.151 nan 8.360 nan 0.000 0.452 687 A N 1.869 124.780 122.820 0.152 0.000 1.897 687 A HA -0.143 4.179 4.320 0.003 0.000 0.215 687 A C 2.141 179.818 177.584 0.155 0.000 1.181 687 A CA 1.298 53.413 52.037 0.129 0.000 0.620 687 A CB -0.392 18.667 19.000 0.099 0.000 0.821 687 A HN 0.086 nan 8.150 nan 0.000 0.443 688 K N -1.509 118.991 120.400 0.167 0.000 2.211 688 K HA -0.188 4.134 4.320 0.003 0.000 0.204 688 K C 1.471 178.118 176.600 0.079 0.000 1.047 688 K CA 1.515 57.848 56.287 0.077 0.000 0.935 688 K CB -0.282 32.266 32.500 0.079 0.000 0.728 688 K HN 0.639 nan 8.250 nan 0.000 0.452 689 Y N 0.717 121.118 120.300 0.169 0.000 2.439 689 Y HA -0.145 4.407 4.550 0.003 0.000 0.292 689 Y C 1.794 177.799 175.900 0.175 0.000 1.130 689 Y CA 0.830 59.095 58.100 0.275 0.000 1.254 689 Y CB 0.181 38.731 38.460 0.150 0.000 1.000 689 Y HN 0.136 nan 8.280 nan 0.000 0.554 690 D N -0.490 120.037 120.400 0.212 0.000 2.224 690 D HA -0.098 4.544 4.640 0.003 0.000 0.205 690 D C 2.152 178.495 176.300 0.073 0.000 0.965 690 D CA 1.035 55.133 54.000 0.163 0.000 0.852 690 D CB -0.186 40.712 40.800 0.164 0.000 0.947 690 D HN 0.324 nan 8.370 nan 0.000 0.494 691 A N -0.315 122.420 122.820 -0.142 0.000 2.067 691 A HA -0.085 4.237 4.320 0.003 0.000 0.219 691 A C 1.562 178.586 177.584 -0.933 0.000 1.158 691 A CA 0.601 52.349 52.037 -0.480 0.000 0.661 691 A CB -0.730 17.871 19.000 -0.665 0.000 0.801 691 A HN 0.195 nan 8.150 nan 0.000 0.452 692 F N -0.673 118.992 119.950 -0.474 0.000 2.797 692 F HA 0.229 4.758 4.527 0.003 0.000 0.302 692 F C 0.504 176.164 175.800 -0.234 0.000 1.130 692 F CA -0.666 56.994 58.000 -0.566 0.000 1.387 692 F CB -0.020 38.758 39.000 -0.370 0.000 1.107 692 F HN 0.008 nan 8.300 nan 0.000 0.577 693 L N 0.214 121.432 121.223 -0.008 0.000 2.529 693 L HA -0.095 4.247 4.340 0.003 0.000 0.287 693 L C 1.540 178.458 176.870 0.080 0.000 1.241 693 L CA 0.239 55.111 54.840 0.053 0.000 0.857 693 L CB 0.537 42.656 42.059 0.099 0.000 1.113 693 L HN -0.002 nan 8.230 nan 0.000 0.504 694 V N 2.814 122.748 119.914 0.034 0.000 2.867 694 V HA -0.188 3.934 4.120 0.003 0.000 0.260 694 V C 1.804 177.969 176.094 0.118 0.000 1.099 694 V CA 2.072 64.405 62.300 0.055 0.000 1.122 694 V CB -0.390 31.416 31.823 -0.027 0.000 0.708 694 V HN 1.071 nan 8.190 nan 0.000 0.490 695 T N -2.530 112.069 114.554 0.076 0.000 3.107 695 T HA 0.058 4.409 4.350 0.003 0.000 0.249 695 T C 1.286 176.149 174.700 0.273 0.000 1.096 695 T CA 0.761 62.919 62.100 0.096 0.000 1.012 695 T CB -0.337 68.367 68.868 -0.273 0.000 0.977 695 T HN 0.466 nan 8.240 nan 0.000 0.527 696 N N 1.104 119.943 118.700 0.233 0.000 2.205 696 N HA 0.218 4.960 4.740 0.003 0.000 0.201 696 N C 0.333 176.043 175.510 0.335 0.000 1.128 696 N CA -0.461 52.718 53.050 0.215 0.000 0.867 696 N CB 0.016 38.535 38.487 0.052 0.000 0.996 696 N HN 0.644 nan 8.380 nan 0.000 0.503 697 M N 0.709 120.500 119.600 0.319 0.000 2.318 697 M HA 0.525 5.007 4.480 0.003 0.000 0.347 697 M C -0.812 175.538 176.300 0.082 0.000 1.175 697 M CA -0.695 54.708 55.300 0.171 0.000 1.075 697 M CB 1.633 34.254 32.600 0.034 0.000 1.614 697 M HN -0.134 nan 8.290 nan 0.000 0.456 698 V N 0.715 120.601 119.914 -0.047 0.000 3.007 698 V HA 0.769 4.890 4.120 0.003 0.000 0.311 698 V C -2.940 173.131 176.094 -0.039 0.000 1.120 698 V CA -1.978 60.328 62.300 0.010 0.000 0.980 698 V CB 1.603 33.416 31.823 -0.017 0.000 1.033 698 V HN 0.811 nan 8.190 nan 0.000 0.429 699 P HA 0.486 nan 4.420 nan 0.000 0.282 699 P C -0.963 176.330 177.300 -0.012 0.000 1.262 699 P CA 0.005 63.219 63.100 0.189 0.000 0.773 699 P CB 0.725 32.615 31.700 0.317 0.000 0.879 700 M N 3.225 122.811 119.600 -0.023 0.000 2.271 700 M HA 0.282 4.764 4.480 0.003 0.000 0.285 700 M C -0.689 175.721 176.300 0.183 0.000 1.059 700 M CA -0.833 54.471 55.300 0.006 0.000 0.940 700 M CB 1.991 34.524 32.600 -0.112 0.000 1.636 700 M HN 0.177 nan 8.290 nan 0.000 0.460 701 Y N 2.498 123.075 120.300 0.462 0.000 2.597 701 Y HA 0.042 4.594 4.550 0.003 0.000 0.336 701 Y C -1.528 174.490 175.900 0.197 0.000 1.216 701 Y CA -0.665 57.574 58.100 0.231 0.000 1.463 701 Y CB -0.074 38.465 38.460 0.131 0.000 1.303 701 Y HN 0.517 nan 8.280 nan 0.000 0.576 702 P HA -0.288 nan 4.420 nan 0.000 0.216 702 P C 1.183 178.593 177.300 0.184 0.000 1.153 702 P CA 2.693 65.898 63.100 0.175 0.000 0.858 702 P CB 0.111 31.885 31.700 0.123 0.000 0.789 703 A N -1.297 121.641 122.820 0.197 0.000 1.908 703 A HA -0.230 4.092 4.320 0.003 0.000 0.218 703 A C 2.145 179.871 177.584 0.236 0.000 1.181 703 A CA 1.621 53.755 52.037 0.161 0.000 0.627 703 A CB -1.848 17.196 19.000 0.074 0.000 0.818 703 A HN 0.163 nan 8.150 nan 0.000 0.445 704 F N 0.620 120.692 119.950 0.202 0.000 2.186 704 F HA -0.096 4.433 4.527 0.003 0.000 0.299 704 F C 2.141 178.035 175.800 0.157 0.000 1.090 704 F CA 1.920 60.041 58.000 0.202 0.000 1.307 704 F CB -0.134 39.040 39.000 0.289 0.000 1.019 704 F HN 0.127 nan 8.300 nan 0.000 0.489 705 K N -0.032 120.494 120.400 0.211 0.000 2.160 705 K HA -0.210 4.112 4.320 0.003 0.000 0.206 705 K C 2.134 178.751 176.600 0.029 0.000 1.047 705 K CA 1.541 57.894 56.287 0.109 0.000 0.930 705 K CB -0.239 32.309 32.500 0.080 0.000 0.720 705 K HN 0.300 nan 8.250 nan 0.000 0.450 706 R N 0.402 120.926 120.500 0.040 0.000 2.091 706 R HA -0.137 4.205 4.340 0.003 0.000 0.238 706 R C 2.297 178.533 176.300 -0.108 0.000 1.136 706 R CA 1.415 57.531 56.100 0.026 0.000 0.959 706 R CB -0.438 29.967 30.300 0.175 0.000 0.856 706 R HN 0.038 nan 8.270 nan 0.000 0.437 707 V N -0.096 119.700 119.914 -0.198 0.000 2.283 707 V HA -0.224 3.898 4.120 0.003 0.000 0.243 707 V C 2.018 177.970 176.094 -0.237 0.000 1.039 707 V CA 1.411 63.506 62.300 -0.341 0.000 1.016 707 V CB -0.620 30.909 31.823 -0.491 0.000 0.650 707 V HN 0.525 nan 8.190 nan 0.000 0.449 708 W N 0.888 121.867 121.300 -0.535 0.000 2.358 708 W HA -0.216 4.446 4.660 0.003 0.000 0.303 708 W C 2.360 178.827 176.519 -0.086 0.000 1.208 708 W CA 2.093 59.263 57.345 -0.292 0.000 1.274 708 W CB -0.251 29.056 29.460 -0.254 0.000 1.138 708 W HN 0.270 nan 8.180 nan 0.000 0.515 709 T N -0.037 114.500 114.554 -0.028 0.000 2.746 709 T HA -0.294 4.058 4.350 0.003 0.000 0.267 709 T C 1.327 175.876 174.700 -0.251 0.000 1.039 709 T CA 1.818 63.851 62.100 -0.112 0.000 1.142 709 T CB -0.852 68.003 68.868 -0.022 0.000 0.866 709 T HN 0.233 nan 8.240 nan 0.000 0.444 710 Y N 0.956 121.069 120.300 -0.311 0.000 2.181 710 Y HA -0.126 4.426 4.550 0.003 0.000 0.288 710 Y C 1.999 177.670 175.900 -0.382 0.000 1.146 710 Y CA 1.023 58.908 58.100 -0.358 0.000 1.164 710 Y CB -0.509 37.728 38.460 -0.371 0.000 0.982 710 Y HN 0.243 nan 8.280 nan 0.000 0.515 711 F N 0.842 120.504 119.950 -0.480 0.000 2.075 711 F HA -0.254 4.274 4.527 0.003 0.000 0.297 711 F C 2.257 177.644 175.800 -0.689 0.000 1.113 711 F CA 2.110 59.748 58.000 -0.603 0.000 1.218 711 F CB -0.624 38.013 39.000 -0.605 0.000 0.984 711 F HN 0.061 nan 8.300 nan 0.000 0.472 712 Q N 0.242 119.539 119.800 -0.840 0.000 2.079 712 Q HA -0.192 4.149 4.340 0.003 0.000 0.200 712 Q C 2.472 178.055 176.000 -0.694 0.000 0.974 712 Q CA 1.771 57.079 55.803 -0.824 0.000 0.840 712 Q CB -0.584 27.803 28.738 -0.584 0.000 0.898 712 Q HN 0.504 nan 8.270 nan 0.000 0.430 713 R N 0.102 120.145 120.500 -0.762 0.000 2.075 713 R HA -0.031 4.311 4.340 0.003 0.000 0.226 713 R C 1.900 177.774 176.300 -0.710 0.000 1.114 713 R CA 0.983 56.537 56.100 -0.911 0.000 0.972 713 R CB 0.371 29.980 30.300 -1.152 0.000 0.869 713 R HN 0.060 nan 8.270 nan 0.000 0.437 714 V N 0.159 119.598 119.914 -0.792 0.000 2.743 714 V HA 0.003 4.125 4.120 0.003 0.000 0.237 714 V C 2.093 177.725 176.094 -0.770 0.000 1.113 714 V CA 0.502 62.336 62.300 -0.776 0.000 1.141 714 V CB -0.048 31.140 31.823 -1.058 0.000 0.873 714 V HN 0.197 nan 8.190 nan 0.000 0.486 715 L N -0.037 120.633 121.223 -0.922 0.000 2.072 715 L HA -0.084 4.258 4.340 0.003 0.000 0.205 715 L C 2.465 178.568 176.870 -1.279 0.000 1.079 715 L CA 0.967 55.203 54.840 -1.007 0.000 0.752 715 L CB -0.566 41.005 42.059 -0.814 0.000 0.906 715 L HN 0.189 nan 8.230 nan 0.000 0.436 716 V N 0.376 119.644 119.914 -1.076 0.000 2.295 716 V HA -0.294 3.828 4.120 0.003 0.000 0.246 716 V C 2.602 178.434 176.094 -0.436 0.000 1.049 716 V CA 2.034 63.884 62.300 -0.750 0.000 1.024 716 V CB -0.522 30.918 31.823 -0.640 0.000 0.648 716 V HN 0.408 nan 8.190 nan 0.000 0.447 717 K N 1.325 121.475 120.400 -0.417 0.000 2.057 717 K HA -0.212 4.110 4.320 0.003 0.000 0.207 717 K C 2.118 178.587 176.600 -0.217 0.000 1.049 717 K CA 1.944 58.080 56.287 -0.252 0.000 0.931 717 K CB -0.506 31.846 32.500 -0.247 0.000 0.714 717 K HN 0.397 nan 8.250 nan 0.000 0.440 718 K N -1.006 119.196 120.400 -0.331 0.000 2.097 718 K HA -0.165 4.156 4.320 0.003 0.000 0.206 718 K C 1.748 178.325 176.600 -0.038 0.000 1.049 718 K CA 1.406 57.565 56.287 -0.214 0.000 0.933 718 K CB -0.218 32.119 32.500 -0.271 0.000 0.717 718 K HN 0.139 nan 8.250 nan 0.000 0.442 719 Y N 0.321 120.581 120.300 -0.067 0.000 2.200 719 Y HA -0.055 4.497 4.550 0.003 0.000 0.290 719 Y C 2.424 178.318 175.900 -0.010 0.000 1.137 719 Y CA 0.560 58.650 58.100 -0.016 0.000 1.163 719 Y CB -1.133 37.333 38.460 0.009 0.000 0.988 719 Y HN 0.149 nan 8.280 nan 0.000 0.518 720 A N -0.686 122.205 122.820 0.118 0.000 1.902 720 A HA -0.215 4.106 4.320 0.003 0.000 0.217 720 A C 2.613 180.233 177.584 0.060 0.000 1.181 720 A CA 2.106 54.191 52.037 0.080 0.000 0.623 720 A CB -1.085 17.941 19.000 0.044 0.000 0.818 720 A HN 0.407 nan 8.150 nan 0.000 0.443 721 S N -0.433 115.286 115.700 0.032 0.000 2.368 721 S HA -0.168 4.303 4.470 0.003 0.000 0.224 721 S C 1.828 176.446 174.600 0.030 0.000 1.029 721 S CA 1.558 59.770 58.200 0.021 0.000 0.988 721 S CB -0.369 62.827 63.200 -0.008 0.000 0.838 721 S HN 0.661 nan 8.310 nan 0.000 0.462 722 E N 0.121 120.348 120.200 0.044 0.000 2.152 722 E HA 0.021 4.372 4.350 0.003 0.000 0.192 722 E C 2.047 178.653 176.600 0.010 0.000 0.983 722 E CA 0.671 57.085 56.400 0.024 0.000 0.818 722 E CB 0.022 29.756 29.700 0.057 0.000 0.758 722 E HN 0.465 nan 8.360 nan 0.000 0.467 723 R N 0.315 120.849 120.500 0.056 0.000 2.397 723 R HA 0.109 4.450 4.340 0.003 0.000 0.241 723 R C -0.036 176.328 176.300 0.108 0.000 0.914 723 R CA -0.091 56.052 56.100 0.071 0.000 1.071 723 R CB 0.342 30.683 30.300 0.069 0.000 1.116 723 R HN -0.018 nan 8.270 nan 0.000 0.524 724 N N 1.134 119.891 118.700 0.095 0.000 2.753 724 N HA -0.139 4.603 4.740 0.003 0.000 0.252 724 N C -0.614 174.952 175.510 0.094 0.000 1.071 724 N CA 1.187 54.297 53.050 0.099 0.000 0.690 724 N CB -1.253 37.312 38.487 0.129 0.000 0.906 724 N HN 0.553 nan 8.380 nan 0.000 0.552 725 G N -1.739 107.114 108.800 0.088 0.000 2.716 725 G HA2 0.244 4.205 3.960 0.003 0.000 0.686 725 G HA3 0.244 4.205 3.960 0.003 0.000 0.686 725 G C -0.373 174.592 174.900 0.108 0.000 1.337 725 G CA 0.051 45.207 45.100 0.095 0.000 0.829 725 G HN 1.598 nan 8.290 nan 0.000 0.599 726 V N -1.285 118.698 119.914 0.115 0.000 3.049 726 V HA 0.859 4.981 4.120 0.003 0.000 0.309 726 V C -0.070 176.091 176.094 0.111 0.000 1.148 726 V CA -0.863 61.509 62.300 0.121 0.000 0.990 726 V CB 2.149 34.049 31.823 0.128 0.000 1.039 726 V HN 1.303 nan 8.190 nan 0.000 0.430 727 N N 1.770 120.552 118.700 0.137 0.000 2.419 727 N HA 0.593 5.334 4.740 0.003 0.000 0.277 727 N C -1.434 174.106 175.510 0.051 0.000 1.006 727 N CA -0.230 52.890 53.050 0.117 0.000 0.923 727 N CB 2.011 40.632 38.487 0.223 0.000 1.140 727 N HN 0.669 nan 8.380 nan 0.000 0.488 728 V N 5.133 124.946 119.914 -0.168 0.000 2.495 728 V HA 0.519 4.640 4.120 0.003 0.000 0.298 728 V C 0.071 176.105 176.094 -0.101 0.000 1.031 728 V CA -0.688 61.487 62.300 -0.209 0.000 0.871 728 V CB 1.621 33.096 31.823 -0.580 0.000 0.988 728 V HN 0.544 nan 8.190 nan 0.000 0.432 729 I N 3.379 124.011 120.570 0.102 0.000 2.418 729 I HA 0.560 4.732 4.170 0.003 0.000 0.287 729 I C -0.158 176.135 176.117 0.295 0.000 1.008 729 I CA -0.085 61.367 61.300 0.252 0.000 1.104 729 I CB 1.956 40.100 38.000 0.241 0.000 1.264 729 I HN 0.531 nan 8.210 nan 0.000 0.438 730 S N 3.195 119.061 115.700 0.277 0.000 2.600 730 S HA 0.961 5.433 4.470 0.003 0.000 0.300 730 S C -0.053 174.378 174.600 -0.282 0.000 1.087 730 S CA -0.719 57.485 58.200 0.007 0.000 0.965 730 S CB 2.507 65.949 63.200 0.405 0.000 1.089 730 S HN 0.939 nan 8.310 nan 0.000 0.496 731 G N 1.114 109.345 108.800 -0.949 0.000 2.495 731 G HA2 0.639 4.601 3.960 0.003 0.000 0.294 731 G HA3 0.639 4.601 3.960 0.003 0.000 0.294 731 G C -3.585 171.174 174.900 -0.236 0.000 1.397 731 G CA -0.872 43.958 45.100 -0.450 0.000 0.790 731 G HN 0.450 nan 8.290 nan 0.000 0.486 732 P HA 0.674 nan 4.420 nan 0.000 0.287 732 P C -0.918 176.267 177.300 -0.191 0.000 1.270 732 P CA -0.543 62.357 63.100 -0.333 0.000 0.844 732 P CB 2.258 33.745 31.700 -0.355 0.000 1.068 733 I N 1.693 121.967 120.570 -0.493 0.000 2.545 733 I HA 0.368 4.540 4.170 0.003 0.000 0.292 733 I C -0.684 175.086 176.117 -0.579 0.000 1.040 733 I CA -0.819 60.308 61.300 -0.289 0.000 1.068 733 I CB 1.630 39.579 38.000 -0.085 0.000 1.251 733 I HN 0.161 nan 8.210 nan 0.000 0.424 734 F N 4.237 124.116 119.950 -0.118 0.000 2.403 734 F HA 0.347 4.876 4.527 0.003 0.000 0.355 734 F C -0.057 175.720 175.800 -0.038 0.000 1.119 734 F CA -0.558 57.395 58.000 -0.077 0.000 1.007 734 F CB 1.072 40.035 39.000 -0.060 0.000 1.194 734 F HN 0.284 nan 8.300 nan 0.000 0.443 735 D N 2.337 122.780 120.400 0.072 0.000 2.656 735 D HA 0.160 4.802 4.640 0.003 0.000 0.303 735 D C 0.309 176.637 176.300 0.047 0.000 1.199 735 D CA -0.241 53.799 54.000 0.067 0.000 0.797 735 D CB 0.018 40.833 40.800 0.025 0.000 1.170 735 D HN 0.396 nan 8.370 nan 0.000 0.509 736 Y N 0.631 120.983 120.300 0.086 0.000 2.352 736 Y HA -0.102 4.449 4.550 0.003 0.000 0.292 736 Y C 1.969 177.906 175.900 0.062 0.000 1.136 736 Y CA 1.111 59.262 58.100 0.084 0.000 1.227 736 Y CB 0.076 38.567 38.460 0.052 0.000 0.991 736 Y HN 0.301 nan 8.280 nan 0.000 0.545 737 N N -0.325 118.410 118.700 0.057 0.000 2.276 737 N HA -0.113 4.629 4.740 0.003 0.000 0.212 737 N C -0.149 174.959 175.510 -0.669 0.000 1.127 737 N CA 0.089 52.962 53.050 -0.295 0.000 0.834 737 N CB -1.566 36.765 38.487 -0.260 0.000 1.014 737 N HN 0.528 nan 8.380 nan 0.000 0.491 738 Y N -0.723 119.587 120.300 0.017 0.000 3.152 738 Y HA -0.326 4.226 4.550 0.003 0.000 0.212 738 Y C 0.085 175.968 175.900 -0.027 0.000 1.198 738 Y CA 0.358 58.451 58.100 -0.012 0.000 1.220 738 Y CB -3.114 35.332 38.460 -0.023 0.000 1.326 738 Y HN 0.336 nan 8.280 nan 0.000 0.562 739 N N 0.687 119.347 118.700 -0.067 0.000 2.230 739 N HA 0.298 5.040 4.740 0.003 0.000 0.202 739 N C 1.436 176.945 175.510 -0.002 0.000 1.119 739 N CA 0.293 53.310 53.050 -0.054 0.000 0.851 739 N CB 0.433 38.854 38.487 -0.109 0.000 0.990 739 N HN 1.194 nan 8.380 nan 0.000 0.497 740 G N 0.086 108.897 108.800 0.020 0.000 2.162 740 G HA2 -0.246 3.715 3.960 0.003 0.000 0.260 740 G HA3 -0.246 3.715 3.960 0.003 0.000 0.260 740 G C -0.464 174.469 174.900 0.055 0.000 0.976 740 G CA 0.634 45.766 45.100 0.053 0.000 0.655 740 G HN 0.370 nan 8.290 nan 0.000 0.533 741 L N -0.515 120.716 121.223 0.013 0.000 2.354 741 L HA 0.545 4.887 4.340 0.003 0.000 0.269 741 L C 1.059 177.921 176.870 -0.012 0.000 1.005 741 L CA -1.336 53.508 54.840 0.008 0.000 0.819 741 L CB 1.724 43.769 42.059 -0.024 0.000 1.311 741 L HN 0.211 nan 8.230 nan 0.000 0.423 742 R N 1.684 122.165 120.500 -0.032 0.000 2.486 742 R HA -0.073 4.269 4.340 0.003 0.000 0.304 742 R C -0.762 175.486 176.300 -0.086 0.000 0.913 742 R CA -0.054 55.993 56.100 -0.088 0.000 1.124 742 R CB 0.154 30.331 30.300 -0.206 0.000 0.891 742 R HN 0.467 nan 8.270 nan 0.000 0.410 743 D N 4.358 124.736 120.400 -0.036 0.000 2.382 743 D HA 0.097 4.738 4.640 0.003 0.000 0.245 743 D C 0.749 177.007 176.300 -0.070 0.000 1.120 743 D CA -0.114 53.879 54.000 -0.012 0.000 0.890 743 D CB 0.699 41.553 40.800 0.090 0.000 1.201 743 D HN 0.492 nan 8.370 nan 0.000 0.433 744 I N -1.649 118.905 120.570 -0.026 0.000 3.021 744 I HA 0.194 4.366 4.170 0.003 0.000 0.303 744 I C 1.137 177.291 176.117 0.062 0.000 1.044 744 I CA -0.653 60.657 61.300 0.017 0.000 1.266 744 I CB 0.784 38.794 38.000 0.017 0.000 1.447 744 I HN 0.306 nan 8.210 nan 0.000 0.593 745 E N 1.017 121.289 120.200 0.120 0.000 2.097 745 E HA -0.278 4.074 4.350 0.003 0.000 0.196 745 E C 1.254 177.890 176.600 0.060 0.000 1.000 745 E CA 2.113 58.584 56.400 0.117 0.000 0.804 745 E CB -0.197 29.531 29.700 0.047 0.000 0.740 745 E HN 0.821 nan 8.360 nan 0.000 0.454 746 D N 0.651 121.072 120.400 0.035 0.000 2.265 746 D HA -0.156 4.485 4.640 0.003 0.000 0.208 746 D C 1.405 177.705 176.300 0.000 0.000 0.977 746 D CA 0.983 54.994 54.000 0.018 0.000 0.871 746 D CB 0.089 40.895 40.800 0.010 0.000 0.925 746 D HN 0.190 nan 8.370 nan 0.000 0.485 747 E N -0.810 119.389 120.200 -0.002 0.000 2.442 747 E HA 0.109 4.460 4.350 0.003 0.000 0.195 747 E C 0.304 176.860 176.600 -0.074 0.000 1.030 747 E CA -0.137 56.257 56.400 -0.010 0.000 0.869 747 E CB 0.485 30.198 29.700 0.021 0.000 0.857 747 E HN 0.370 nan 8.360 nan 0.000 0.505 748 I N 1.869 122.357 120.570 -0.137 0.000 2.496 748 I HA -0.005 4.167 4.170 0.003 0.000 0.285 748 I C 1.003 176.724 176.117 -0.660 0.000 1.080 748 I CA 0.185 61.220 61.300 -0.441 0.000 1.404 748 I CB 0.767 38.599 38.000 -0.281 0.000 1.403 748 I HN -0.145 nan 8.210 nan 0.000 0.539 749 K N 5.196 124.825 120.400 -1.286 0.000 2.402 749 K HA 0.227 4.549 4.320 0.003 0.000 0.204 749 K C -0.188 176.119 176.600 -0.487 0.000 1.056 749 K CA 0.094 55.980 56.287 -0.668 0.000 1.069 749 K CB 0.791 33.029 32.500 -0.436 0.000 0.888 749 K HN 0.596 nan 8.250 nan 0.000 0.546 750 Q N -0.145 119.241 119.800 -0.691 0.000 2.315 750 Q HA 0.404 4.746 4.340 0.003 0.000 0.273 750 Q C -1.681 174.009 176.000 -0.517 0.000 1.053 750 Q CA -0.666 54.962 55.803 -0.291 0.000 0.817 750 Q CB 1.598 30.360 28.738 0.039 0.000 1.326 750 Q HN -0.035 nan 8.270 nan 0.000 0.423 751 Y N 0.240 120.559 120.300 0.032 0.000 2.576 751 Y HA 0.457 5.009 4.550 0.003 0.000 0.346 751 Y C -0.220 175.683 175.900 0.006 0.000 1.018 751 Y CA -1.042 57.077 58.100 0.032 0.000 1.050 751 Y CB 1.701 40.162 38.460 0.002 0.000 1.280 751 Y HN 0.329 nan 8.280 nan 0.000 0.474 752 V N 1.297 121.290 119.914 0.132 0.000 2.872 752 V HA -0.077 4.044 4.120 0.003 0.000 0.307 752 V C 0.414 176.505 176.094 -0.006 0.000 1.072 752 V CA -0.358 61.931 62.300 -0.017 0.000 1.148 752 V CB 0.674 32.363 31.823 -0.223 0.000 0.954 752 V HN 0.771 nan 8.190 nan 0.000 0.490 753 E N 2.945 123.132 120.200 -0.021 0.000 2.558 753 E HA 0.200 4.552 4.350 0.003 0.000 0.255 753 E C 1.213 177.798 176.600 -0.025 0.000 0.968 753 E CA 0.816 57.216 56.400 -0.000 0.000 0.939 753 E CB -0.057 29.649 29.700 0.010 0.000 0.921 753 E HN 1.079 nan 8.360 nan 0.000 0.477 754 G N 3.040 111.832 108.800 -0.012 0.000 2.155 754 G HA2 -0.311 3.650 3.960 0.003 0.000 0.257 754 G HA3 -0.311 3.650 3.960 0.003 0.000 0.257 754 G C 0.085 174.959 174.900 -0.044 0.000 0.983 754 G CA 0.609 45.693 45.100 -0.027 0.000 0.676 754 G HN 0.976 nan 8.290 nan 0.000 0.528 755 S N -1.788 113.885 115.700 -0.046 0.000 2.732 755 S HA 0.797 5.269 4.470 0.003 0.000 0.293 755 S C 0.674 175.226 174.600 -0.080 0.000 1.159 755 S CA 0.659 58.827 58.200 -0.054 0.000 0.847 755 S CB 1.627 64.793 63.200 -0.057 0.000 1.169 755 S HN 1.432 nan 8.310 nan 0.000 0.501 756 S N -0.262 115.396 115.700 -0.070 0.000 2.601 756 S HA 0.397 4.869 4.470 0.003 0.000 0.244 756 S C -0.025 174.659 174.600 0.141 0.000 1.001 756 S CA -0.623 57.499 58.200 -0.130 0.000 0.984 756 S CB -0.963 62.140 63.200 -0.161 0.000 0.842 756 S HN 0.624 nan 8.310 nan 0.000 0.474 757 I N 4.305 124.993 120.570 0.196 0.000 2.363 757 I HA 0.280 4.452 4.170 0.003 0.000 0.292 757 I C -2.220 174.118 176.117 0.369 0.000 1.075 757 I CA -2.201 59.249 61.300 0.250 0.000 1.333 757 I CB 0.490 38.578 38.000 0.147 0.000 1.415 757 I HN 0.076 nan 8.210 nan 0.000 0.502 758 P HA 0.125 nan 4.420 nan 0.000 0.274 758 P C -0.591 176.906 177.300 0.328 0.000 1.231 758 P CA -0.204 63.008 63.100 0.187 0.000 0.790 758 P CB 1.499 33.275 31.700 0.127 0.000 0.951 759 V N 4.618 124.680 119.914 0.247 0.000 2.370 759 V HA 0.266 4.388 4.120 0.003 0.000 0.283 759 V C -2.089 174.115 176.094 0.184 0.000 1.023 759 V CA -2.105 60.328 62.300 0.222 0.000 0.857 759 V CB 1.078 32.975 31.823 0.125 0.000 0.985 759 V HN 0.516 nan 8.190 nan 0.000 0.443 760 P HA 0.113 nan 4.420 nan 0.000 0.268 760 P C 1.044 178.026 177.300 -0.529 0.000 1.205 760 P CA 0.057 62.583 63.100 -0.957 0.000 0.771 760 P CB 0.598 31.439 31.700 -1.432 0.000 0.858 761 T N -0.945 113.256 114.554 -0.588 0.000 3.014 761 T HA 0.007 4.358 4.350 0.003 0.000 0.263 761 T C 0.274 174.534 174.700 -0.733 0.000 1.078 761 T CA 0.985 62.748 62.100 -0.561 0.000 1.135 761 T CB -0.516 68.063 68.868 -0.481 0.000 0.895 761 T HN 0.449 nan 8.240 nan 0.000 0.480 762 H N -1.342 117.420 119.070 -0.513 0.000 3.016 762 H HA 0.605 5.163 4.556 0.003 0.000 0.362 762 H C -1.830 173.068 175.328 -0.715 0.000 1.233 762 H CA -1.009 54.787 56.048 -0.420 0.000 1.124 762 H CB 1.194 30.838 29.762 -0.197 0.000 1.850 762 H HN 0.144 nan 8.280 nan 0.000 0.549 763 Y N 0.969 121.159 120.300 -0.184 0.000 2.409 763 Y HA 0.317 4.869 4.550 0.003 0.000 0.343 763 Y C -0.695 175.243 175.900 0.064 0.000 0.973 763 Y CA -1.043 56.924 58.100 -0.222 0.000 1.064 763 Y CB 1.387 39.521 38.460 -0.543 0.000 1.207 763 Y HN 0.599 nan 8.280 nan 0.000 0.452 764 Y N -0.205 120.219 120.300 0.207 0.000 2.496 764 Y HA 0.833 5.385 4.550 0.003 0.000 0.331 764 Y C -0.538 175.559 175.900 0.330 0.000 1.140 764 Y CA -1.303 56.939 58.100 0.237 0.000 1.166 764 Y CB 1.890 40.446 38.460 0.160 0.000 1.249 764 Y HN 0.442 nan 8.280 nan 0.000 0.479 765 S N 2.453 118.436 115.700 0.473 0.000 2.548 765 S HA 0.670 5.142 4.470 0.003 0.000 0.276 765 S C -1.549 173.298 174.600 0.413 0.000 1.129 765 S CA -0.695 57.768 58.200 0.438 0.000 0.931 765 S CB 0.585 64.065 63.200 0.467 0.000 1.068 765 S HN 0.680 nan 8.310 nan 0.000 0.480 766 I N 5.035 125.785 120.570 0.299 0.000 2.382 766 I HA 0.491 4.663 4.170 0.003 0.000 0.286 766 I C -0.887 175.302 176.117 0.121 0.000 1.002 766 I CA -0.502 60.868 61.300 0.116 0.000 1.135 766 I CB 1.554 39.486 38.000 -0.113 0.000 1.288 766 I HN 0.524 nan 8.210 nan 0.000 0.448 767 I N 5.904 126.541 120.570 0.112 0.000 2.382 767 I HA 0.379 4.551 4.170 0.003 0.000 0.286 767 I C -0.357 175.795 176.117 0.058 0.000 1.002 767 I CA -0.183 61.186 61.300 0.115 0.000 1.135 767 I CB 1.702 39.800 38.000 0.164 0.000 1.288 767 I HN 0.465 nan 8.210 nan 0.000 0.448 768 T N 4.051 118.667 114.554 0.103 0.000 2.863 768 T HA 0.717 5.069 4.350 0.003 0.000 0.285 768 T C -0.195 174.586 174.700 0.135 0.000 1.009 768 T CA -0.706 61.449 62.100 0.092 0.000 0.989 768 T CB 1.921 70.860 68.868 0.119 0.000 1.004 768 T HN 0.739 nan 8.240 nan 0.000 0.455 769 S N 0.017 115.765 115.700 0.079 0.000 2.752 769 S HA 0.568 5.040 4.470 0.003 0.000 0.284 769 S C -0.718 173.925 174.600 0.072 0.000 1.189 769 S CA -0.925 57.337 58.200 0.104 0.000 0.835 769 S CB 0.797 64.046 63.200 0.082 0.000 1.192 769 S HN 0.847 nan 8.310 nan 0.000 0.506 770 c N 1.653 120.302 118.600 0.081 0.000 2.514 770 c HA 0.485 5.056 4.570 0.003 0.000 0.392 770 c C 1.990 176.097 174.090 0.029 0.000 1.294 770 c CA -0.526 55.833 56.329 0.050 0.000 1.957 770 c CB -0.601 41.940 42.510 0.051 0.000 2.541 770 c HN 0.851 nan 8.230 nan 0.000 0.569 771 L N 3.724 124.937 121.223 -0.018 0.000 2.042 771 L HA -0.001 4.340 4.340 0.003 0.000 0.210 771 L C 1.157 178.025 176.870 -0.004 0.000 1.076 771 L CA 1.910 56.736 54.840 -0.023 0.000 0.749 771 L CB -0.511 41.505 42.059 -0.072 0.000 0.893 771 L HN 0.797 nan 8.230 nan 0.000 0.432 772 D N -0.585 119.773 120.400 -0.070 0.000 2.402 772 D HA -0.035 4.606 4.640 0.003 0.000 0.235 772 D C 1.212 177.407 176.300 -0.174 0.000 1.226 772 D CA -0.323 53.554 54.000 -0.204 0.000 0.918 772 D CB 0.050 40.746 40.800 -0.174 0.000 1.043 772 D HN 0.302 nan 8.370 nan 0.000 0.506 773 F N 1.335 121.285 119.950 0.000 0.000 2.546 773 F HA -0.047 4.482 4.527 0.003 0.000 0.298 773 F C 2.142 177.950 175.800 0.014 0.000 1.120 773 F CA 0.786 58.792 58.000 0.009 0.000 1.456 773 F CB -1.385 37.622 39.000 0.011 0.000 1.088 773 F HN 0.282 nan 8.300 nan 0.000 0.572 774 T N -2.146 112.295 114.554 -0.190 0.000 2.962 774 T HA -0.070 4.282 4.350 0.003 0.000 0.270 774 T C 0.686 175.383 174.700 -0.004 0.000 1.088 774 T CA 0.447 62.513 62.100 -0.056 0.000 1.127 774 T CB -0.469 68.314 68.868 -0.142 0.000 0.883 774 T HN 0.514 nan 8.240 nan 0.000 0.493 775 Q N 2.145 121.936 119.800 -0.014 0.000 2.241 775 Q HA 0.423 4.765 4.340 0.003 0.000 0.254 775 Q C -2.790 173.238 176.000 0.047 0.000 0.917 775 Q CA -2.598 53.212 55.803 0.012 0.000 0.919 775 Q CB 1.432 30.168 28.738 -0.004 0.000 1.237 775 Q HN 0.238 nan 8.270 nan 0.000 0.434 776 P HA 0.000 nan 4.420 nan 0.000 0.272 776 P C -0.100 177.240 177.300 0.068 0.000 1.230 776 P CA 0.082 63.220 63.100 0.063 0.000 0.788 776 P CB 0.644 32.375 31.700 0.051 0.000 0.949 777 A N 2.178 125.049 122.820 0.084 0.000 1.940 777 A HA -0.211 4.111 4.320 0.003 0.000 0.219 777 A C 1.477 179.110 177.584 0.082 0.000 1.176 777 A CA 2.206 54.306 52.037 0.105 0.000 0.631 777 A CB -1.414 17.663 19.000 0.128 0.000 0.814 777 A HN 0.667 nan 8.150 nan 0.000 0.446 778 D N -1.245 119.184 120.400 0.048 0.000 2.355 778 D HA 0.182 4.824 4.640 0.003 0.000 0.218 778 D C 0.903 177.211 176.300 0.014 0.000 1.004 778 D CA 1.314 55.321 54.000 0.013 0.000 0.880 778 D CB -0.297 40.502 40.800 -0.003 0.000 0.911 778 D HN 0.391 nan 8.370 nan 0.000 0.528 779 K N 0.038 120.456 120.400 0.029 0.000 2.896 779 K HA 0.389 4.710 4.320 0.003 0.000 0.210 779 K C -0.160 176.458 176.600 0.030 0.000 1.116 779 K CA -0.397 55.904 56.287 0.024 0.000 1.050 779 K CB -0.812 31.700 32.500 0.019 0.000 0.812 779 K HN 0.307 nan 8.250 nan 0.000 0.462 780 c N 1.992 120.620 118.600 0.047 0.000 2.373 780 c HA 0.320 4.892 4.570 0.003 0.000 0.354 780 c C 0.746 174.859 174.090 0.039 0.000 1.249 780 c CA -0.351 56.007 56.329 0.048 0.000 1.784 780 c CB -0.598 41.961 42.510 0.081 0.000 2.408 780 c HN 0.717 nan 8.230 nan 0.000 0.542 781 D N 2.983 123.393 120.400 0.017 0.000 2.194 781 D HA 0.118 4.760 4.640 0.003 0.000 0.204 781 D C 1.302 177.607 176.300 0.008 0.000 0.964 781 D CA 1.433 55.439 54.000 0.010 0.000 0.846 781 D CB 0.189 40.987 40.800 -0.003 0.000 0.962 781 D HN 0.818 nan 8.370 nan 0.000 0.490 782 G N -0.248 108.551 108.800 -0.001 0.000 3.264 782 G HA2 0.447 4.409 3.960 0.003 0.000 0.168 782 G HA3 0.447 4.409 3.960 0.003 0.000 0.168 782 G C -2.533 172.351 174.900 -0.026 0.000 1.145 782 G CA -0.663 44.428 45.100 -0.016 0.000 0.855 782 G HN -0.081 nan 8.290 nan 0.000 0.629 783 P HA 0.324 nan 4.420 nan 0.000 0.270 783 P C -0.472 176.772 177.300 -0.093 0.000 1.223 783 P CA -0.031 63.017 63.100 -0.086 0.000 0.785 783 P CB 0.647 32.286 31.700 -0.102 0.000 0.923 784 L N 0.480 121.613 121.223 -0.150 0.000 2.358 784 L HA 0.578 4.919 4.340 0.003 0.000 0.268 784 L C 0.635 177.381 176.870 -0.205 0.000 1.032 784 L CA -0.559 54.181 54.840 -0.167 0.000 0.805 784 L CB 1.429 43.319 42.059 -0.280 0.000 1.253 784 L HN 0.311 nan 8.230 nan 0.000 0.452 785 S N 0.645 116.243 115.700 -0.170 0.000 2.500 785 S HA 0.714 5.185 4.470 0.003 0.000 0.301 785 S C -1.243 173.242 174.600 -0.191 0.000 1.092 785 S CA -0.539 57.536 58.200 -0.209 0.000 1.030 785 S CB 1.755 64.876 63.200 -0.132 0.000 1.031 785 S HN 0.392 nan 8.310 nan 0.000 0.483 786 V N 4.118 123.892 119.914 -0.233 0.000 2.841 786 V HA 0.914 5.035 4.120 0.003 0.000 0.310 786 V C -1.044 175.002 176.094 -0.079 0.000 1.090 786 V CA -0.215 62.013 62.300 -0.119 0.000 0.930 786 V CB 2.340 34.125 31.823 -0.063 0.000 1.014 786 V HN 1.139 nan 8.190 nan 0.000 0.425 787 S N 3.859 119.489 115.700 -0.117 0.000 2.541 787 S HA 0.915 5.387 4.470 0.003 0.000 0.280 787 S C -0.871 173.582 174.600 -0.245 0.000 1.112 787 S CA -0.594 57.483 58.200 -0.204 0.000 0.925 787 S CB 2.025 64.990 63.200 -0.392 0.000 1.067 787 S HN 0.947 nan 8.310 nan 0.000 0.479 788 S N 0.886 116.350 115.700 -0.394 0.000 2.618 788 S HA 0.861 5.333 4.470 0.003 0.000 0.277 788 S C -1.614 172.623 174.600 -0.604 0.000 1.138 788 S CA -0.742 57.275 58.200 -0.306 0.000 0.844 788 S CB 0.825 63.982 63.200 -0.071 0.000 1.127 788 S HN 0.679 nan 8.310 nan 0.000 0.474 789 F N 0.375 120.429 119.950 0.174 0.000 2.599 789 F HA 0.629 5.158 4.527 0.003 0.000 0.311 789 F C -0.607 175.310 175.800 0.195 0.000 1.076 789 F CA -0.851 57.254 58.000 0.175 0.000 0.937 789 F CB 1.346 40.426 39.000 0.135 0.000 1.282 789 F HN 0.314 nan 8.300 nan 0.000 0.460 790 I N 3.923 124.721 120.570 0.381 0.000 2.495 790 I HA 0.293 4.465 4.170 0.003 0.000 0.277 790 I C -1.150 175.158 176.117 0.319 0.000 1.045 790 I CA -0.250 61.227 61.300 0.294 0.000 1.135 790 I CB 0.883 38.959 38.000 0.126 0.000 1.241 790 I HN 0.325 nan 8.210 nan 0.000 0.469 791 L N 7.659 129.072 121.223 0.317 0.000 2.305 791 L HA 0.435 4.777 4.340 0.003 0.000 0.281 791 L C -2.125 174.866 176.870 0.202 0.000 1.085 791 L CA -1.869 53.120 54.840 0.247 0.000 0.813 791 L CB 0.451 42.736 42.059 0.377 0.000 1.157 791 L HN 0.234 nan 8.230 nan 0.000 0.436 792 P HA -0.030 nan 4.420 nan 0.000 0.271 792 P C -0.903 176.329 177.300 -0.114 0.000 1.220 792 P CA 0.103 63.075 63.100 -0.215 0.000 0.768 792 P CB 0.405 31.970 31.700 -0.224 0.000 0.848 793 H N 4.931 123.721 119.070 -0.467 0.000 2.872 793 H HA 0.286 4.844 4.556 0.003 0.000 0.273 793 H C -0.266 174.978 175.328 -0.140 0.000 1.205 793 H CA -0.556 55.246 56.048 -0.409 0.000 1.342 793 H CB 0.234 29.647 29.762 -0.582 0.000 1.469 793 H HN 0.298 nan 8.280 nan 0.000 0.487 794 R N 4.342 124.833 120.500 -0.016 0.000 2.803 794 R HA 0.211 4.553 4.340 0.003 0.000 0.276 794 R C -1.918 174.246 176.300 -0.226 0.000 0.978 794 R CA -1.957 54.036 56.100 -0.179 0.000 0.939 794 R CB 1.696 31.848 30.300 -0.247 0.000 1.179 794 R HN 0.500 nan 8.270 nan 0.000 0.472 795 P HA -0.053 nan 4.420 nan 0.000 0.241 795 P C -0.882 176.179 177.300 -0.397 0.000 1.191 795 P CA 0.907 63.414 63.100 -0.988 0.000 0.771 795 P CB 0.159 31.182 31.700 -1.128 0.000 0.929 796 D N -2.321 117.926 120.400 -0.255 0.000 2.579 796 D HA 0.190 4.832 4.640 0.003 0.000 0.257 796 D C -0.113 176.105 176.300 -0.138 0.000 1.176 796 D CA -0.867 53.030 54.000 -0.172 0.000 0.914 796 D CB -0.042 40.651 40.800 -0.178 0.000 1.431 796 D HN -0.363 nan 8.370 nan 0.000 0.454 797 N N 0.059 118.664 118.700 -0.160 0.000 2.453 797 N HA 0.088 4.829 4.740 0.003 0.000 0.270 797 N C -0.348 175.014 175.510 -0.247 0.000 1.195 797 N CA -0.039 52.891 53.050 -0.200 0.000 0.902 797 N CB 0.509 38.797 38.487 -0.332 0.000 1.186 797 N HN 0.363 nan 8.380 nan 0.000 0.510 798 D N 0.784 121.060 120.400 -0.207 0.000 2.218 798 D HA -0.168 4.473 4.640 0.003 0.000 0.204 798 D C 1.634 177.806 176.300 -0.214 0.000 0.976 798 D CA 0.870 54.747 54.000 -0.205 0.000 0.853 798 D CB 0.263 40.959 40.800 -0.174 0.000 0.939 798 D HN 0.496 nan 8.370 nan 0.000 0.481 799 E N 0.088 120.169 120.200 -0.198 0.000 2.153 799 E HA -0.078 4.274 4.350 0.003 0.000 0.194 799 E C -0.142 176.374 176.600 -0.139 0.000 0.988 799 E CA 0.559 56.848 56.400 -0.184 0.000 0.811 799 E CB 0.250 29.898 29.700 -0.086 0.000 0.746 799 E HN -0.017 nan 8.360 nan 0.000 0.466 800 S N 0.094 115.695 115.700 -0.165 0.000 2.434 800 S HA 0.119 4.591 4.470 0.003 0.000 0.318 800 S C 0.464 174.891 174.600 -0.289 0.000 1.062 800 S CA -0.791 57.304 58.200 -0.175 0.000 1.116 800 S CB 1.217 64.315 63.200 -0.170 0.000 0.977 800 S HN 0.295 nan 8.310 nan 0.000 0.480 801 c N 2.784 121.256 118.600 -0.212 0.000 2.422 801 c HA -0.041 4.531 4.570 0.003 0.000 0.286 801 c C 1.711 175.654 174.090 -0.244 0.000 1.412 801 c CA 0.483 56.679 56.329 -0.221 0.000 1.786 801 c CB -1.513 40.887 42.510 -0.183 0.000 1.835 801 c HN 0.832 nan 8.230 nan 0.000 0.533 802 N N 0.397 118.943 118.700 -0.258 0.000 2.279 802 N HA -0.004 4.737 4.740 0.003 0.000 0.226 802 N C 1.345 176.530 175.510 -0.541 0.000 1.126 802 N CA 0.171 53.069 53.050 -0.254 0.000 0.846 802 N CB 0.192 38.630 38.487 -0.083 0.000 1.050 802 N HN 0.541 nan 8.380 nan 0.000 0.502 803 S N -0.563 114.595 115.700 -0.902 0.000 2.555 803 S HA -0.115 4.357 4.470 0.003 0.000 0.230 803 S C 1.927 176.037 174.600 -0.818 0.000 0.978 803 S CA 0.644 57.802 58.200 -1.737 0.000 0.934 803 S CB -0.243 61.958 63.200 -1.665 0.000 0.766 803 S HN 0.316 nan 8.310 nan 0.000 0.533 804 S N 0.734 116.168 115.700 -0.442 0.000 2.481 804 S HA 0.059 4.531 4.470 0.003 0.000 0.231 804 S C 0.550 175.086 174.600 -0.107 0.000 0.996 804 S CA -0.186 57.881 58.200 -0.222 0.000 0.942 804 S CB -0.368 62.732 63.200 -0.167 0.000 0.768 804 S HN 0.687 nan 8.310 nan 0.000 0.520 805 E N 1.313 121.464 120.200 -0.082 0.000 2.359 805 E HA 0.297 4.649 4.350 0.003 0.000 0.255 805 E C -0.718 176.001 176.600 0.200 0.000 1.191 805 E CA -0.736 55.695 56.400 0.052 0.000 0.952 805 E CB 0.247 29.985 29.700 0.064 0.000 1.152 805 E HN 0.276 nan 8.360 nan 0.000 0.496 806 D N -0.002 120.468 120.400 0.117 0.000 2.423 806 D HA -0.063 4.578 4.640 0.003 0.000 0.238 806 D C 0.430 176.705 176.300 -0.041 0.000 1.142 806 D CA 0.255 54.285 54.000 0.051 0.000 0.884 806 D CB 0.734 41.520 40.800 -0.024 0.000 1.199 806 D HN 0.269 nan 8.370 nan 0.000 0.438 807 E N 0.551 120.562 120.200 -0.314 0.000 2.219 807 E HA -0.200 4.152 4.350 0.003 0.000 0.198 807 E C 1.878 177.730 176.600 -1.247 0.000 0.998 807 E CA 1.379 57.136 56.400 -1.071 0.000 0.818 807 E CB -0.165 28.865 29.700 -1.116 0.000 0.741 807 E HN 0.509 nan 8.360 nan 0.000 0.477 808 S N -0.088 115.162 115.700 -0.749 0.000 2.500 808 S HA -0.077 4.394 4.470 0.003 0.000 0.239 808 S C 1.429 175.868 174.600 -0.268 0.000 0.989 808 S CA 0.625 58.557 58.200 -0.447 0.000 0.951 808 S CB 0.041 63.161 63.200 -0.134 0.000 0.759 808 S HN 0.028 nan 8.310 nan 0.000 0.523 809 K N 0.332 120.605 120.400 -0.211 0.000 2.367 809 K HA 0.180 4.502 4.320 0.003 0.000 0.194 809 K C 1.187 177.835 176.600 0.080 0.000 1.027 809 K CA 0.436 56.715 56.287 -0.015 0.000 1.075 809 K CB 0.066 32.623 32.500 0.095 0.000 0.845 809 K HN 0.883 nan 8.250 nan 0.000 0.529 810 W N -2.037 119.153 121.300 -0.184 0.000 2.166 810 W HA 0.151 4.813 4.660 0.003 0.000 0.196 810 W C 0.806 177.233 176.519 -0.153 0.000 0.895 810 W CA -0.116 57.141 57.345 -0.147 0.000 1.069 810 W CB -0.553 28.826 29.460 -0.135 0.000 0.798 810 W HN -0.268 nan 8.180 nan 0.000 0.647 811 V N 2.655 122.025 119.914 -0.907 0.000 2.343 811 V HA -0.260 3.862 4.120 0.003 0.000 0.247 811 V C 2.415 178.333 176.094 -0.293 0.000 1.051 811 V CA 2.657 64.500 62.300 -0.763 0.000 1.036 811 V CB -0.633 30.588 31.823 -1.003 0.000 0.654 811 V HN 0.102 nan 8.190 nan 0.000 0.451 812 E N -0.218 119.854 120.200 -0.213 0.000 2.110 812 E HA -0.274 4.077 4.350 0.003 0.000 0.193 812 E C 2.237 178.787 176.600 -0.084 0.000 0.988 812 E CA 1.322 57.662 56.400 -0.100 0.000 0.804 812 E CB -0.079 29.604 29.700 -0.028 0.000 0.745 812 E HN 0.729 nan 8.360 nan 0.000 0.458 813 E N 0.958 121.132 120.200 -0.042 0.000 2.085 813 E HA -0.227 4.125 4.350 0.003 0.000 0.194 813 E C 2.209 178.839 176.600 0.049 0.000 0.994 813 E CA 0.810 57.214 56.400 0.007 0.000 0.801 813 E CB -0.032 29.697 29.700 0.049 0.000 0.743 813 E HN 0.116 nan 8.360 nan 0.000 0.453 814 L N 0.562 121.840 121.223 0.093 0.000 2.017 814 L HA -0.173 4.168 4.340 0.003 0.000 0.208 814 L C 2.336 179.318 176.870 0.186 0.000 1.073 814 L CA 1.863 56.810 54.840 0.179 0.000 0.745 814 L CB -0.346 41.833 42.059 0.200 0.000 0.894 814 L HN 0.263 nan 8.230 nan 0.000 0.432 815 M N -0.862 118.756 119.600 0.031 0.000 2.117 815 M HA -0.229 4.252 4.480 0.003 0.000 0.262 815 M C 2.213 178.608 176.300 0.158 0.000 1.065 815 M CA 1.825 57.112 55.300 -0.021 0.000 1.114 815 M CB -0.385 31.985 32.600 -0.382 0.000 1.361 815 M HN 0.174 nan 8.290 nan 0.000 0.408 816 K N -0.134 120.257 120.400 -0.015 0.000 2.103 816 K HA -0.194 4.128 4.320 0.003 0.000 0.207 816 K C 1.885 178.535 176.600 0.084 0.000 1.048 816 K CA 1.447 57.660 56.287 -0.123 0.000 0.930 816 K CB -0.316 31.997 32.500 -0.313 0.000 0.716 816 K HN 0.196 nan 8.250 nan 0.000 0.444 817 M N 0.370 120.011 119.600 0.068 0.000 2.296 817 M HA -0.114 4.368 4.480 0.003 0.000 0.265 817 M C 0.861 177.056 176.300 -0.175 0.000 1.064 817 M CA 1.723 56.997 55.300 -0.044 0.000 1.109 817 M CB 0.062 32.632 32.600 -0.050 0.000 1.396 817 M HN 0.113 nan 8.290 nan 0.000 0.430 818 H N -0.821 118.352 119.070 0.171 0.000 2.469 818 H HA 0.211 4.769 4.556 0.003 0.000 0.286 818 H C 0.188 175.680 175.328 0.273 0.000 1.106 818 H CA -0.008 56.155 56.048 0.192 0.000 1.055 818 H CB -0.280 29.607 29.762 0.209 0.000 1.618 818 H HN 0.225 nan 8.280 nan 0.000 0.559 819 T N 1.130 115.885 114.554 0.335 0.000 2.908 819 T HA 0.329 4.681 4.350 0.003 0.000 0.325 819 T C 0.179 174.931 174.700 0.086 0.000 1.092 819 T CA 0.035 62.260 62.100 0.209 0.000 1.125 819 T CB 0.365 69.394 68.868 0.269 0.000 1.016 819 T HN 0.515 nan 8.240 nan 0.000 0.550 820 A N 3.686 126.501 122.820 -0.008 0.000 2.609 820 A HA 0.721 5.043 4.320 0.003 0.000 0.291 820 A C -0.670 176.905 177.584 -0.015 0.000 1.096 820 A CA -0.997 51.044 52.037 0.007 0.000 0.684 820 A CB 1.352 20.378 19.000 0.043 0.000 1.282 820 A HN 0.870 nan 8.150 nan 0.000 0.412 821 R N 0.288 120.802 120.500 0.023 0.000 2.500 821 R HA 0.418 4.760 4.340 0.003 0.000 0.275 821 R C 0.782 177.100 176.300 0.031 0.000 1.051 821 R CA -0.657 55.465 56.100 0.037 0.000 1.088 821 R CB 0.915 31.259 30.300 0.074 0.000 1.063 821 R HN 0.394 nan 8.270 nan 0.000 0.511 822 V N 1.928 121.867 119.914 0.042 0.000 2.392 822 V HA -0.253 3.868 4.120 0.003 0.000 0.249 822 V C 2.374 178.491 176.094 0.038 0.000 1.059 822 V CA 1.906 64.220 62.300 0.023 0.000 1.051 822 V CB -0.579 31.305 31.823 0.102 0.000 0.658 822 V HN 0.635 nan 8.190 nan 0.000 0.455 823 R N 0.667 121.184 120.500 0.027 0.000 2.120 823 R HA -0.152 4.190 4.340 0.003 0.000 0.234 823 R C 1.869 178.039 176.300 -0.217 0.000 1.123 823 R CA 1.689 57.736 56.100 -0.088 0.000 0.975 823 R CB -0.680 29.593 30.300 -0.046 0.000 0.866 823 R HN 0.546 nan 8.270 nan 0.000 0.446 824 D N -0.158 120.235 120.400 -0.012 0.000 2.117 824 D HA -0.135 4.507 4.640 0.003 0.000 0.197 824 D C 1.892 178.206 176.300 0.023 0.000 0.987 824 D CA 1.483 55.541 54.000 0.097 0.000 0.829 824 D CB -0.120 40.756 40.800 0.126 0.000 0.961 824 D HN 0.312 nan 8.370 nan 0.000 0.460 825 I N 1.266 121.819 120.570 -0.028 0.000 2.286 825 I HA -0.217 3.955 4.170 0.003 0.000 0.248 825 I C 2.283 178.378 176.117 -0.035 0.000 1.115 825 I CA 1.005 62.251 61.300 -0.090 0.000 1.392 825 I CB -0.197 37.676 38.000 -0.210 0.000 1.065 825 I HN -0.026 nan 8.210 nan 0.000 0.418 826 E N 0.146 120.351 120.200 0.008 0.000 2.051 826 E HA -0.253 4.099 4.350 0.003 0.000 0.192 826 E C 2.080 178.677 176.600 -0.006 0.000 0.991 826 E CA 1.578 57.971 56.400 -0.012 0.000 0.799 826 E CB -0.329 29.347 29.700 -0.041 0.000 0.748 826 E HN 0.660 nan 8.360 nan 0.000 0.449 827 H N 0.361 119.464 119.070 0.055 0.000 2.352 827 H HA -0.101 4.457 4.556 0.003 0.000 0.299 827 H C 2.133 177.463 175.328 0.002 0.000 1.097 827 H CA 0.893 56.964 56.048 0.038 0.000 1.311 827 H CB -0.003 29.802 29.762 0.072 0.000 1.377 827 H HN 0.065 nan 8.280 nan 0.000 0.504 828 L N 0.204 121.490 121.223 0.105 0.000 2.395 828 L HA -0.055 4.287 4.340 0.003 0.000 0.218 828 L C 2.022 178.885 176.870 -0.012 0.000 1.130 828 L CA 1.267 56.121 54.840 0.024 0.000 0.826 828 L CB 0.095 42.140 42.059 -0.023 0.000 0.941 828 L HN 0.479 nan 8.230 nan 0.000 0.451 829 T N -6.149 108.395 114.554 -0.015 0.000 2.958 829 T HA 0.234 4.585 4.350 0.003 0.000 0.256 829 T C 1.435 176.140 174.700 0.007 0.000 0.983 829 T CA 0.435 62.532 62.100 -0.005 0.000 0.924 829 T CB 0.790 69.662 68.868 0.006 0.000 1.136 829 T HN 0.236 nan 8.240 nan 0.000 0.506 830 G N 1.822 110.625 108.800 0.005 0.000 2.179 830 G HA2 -0.212 3.750 3.960 0.003 0.000 0.257 830 G HA3 -0.212 3.750 3.960 0.003 0.000 0.257 830 G C -0.103 174.858 174.900 0.102 0.000 1.010 830 G CA 0.572 45.725 45.100 0.088 0.000 0.736 830 G HN 0.671 nan 8.290 nan 0.000 0.513 831 L N -0.603 120.578 121.223 -0.070 0.000 2.352 831 L HA 0.714 5.056 4.340 0.003 0.000 0.269 831 L C -0.113 176.472 176.870 -0.475 0.000 1.034 831 L CA -0.944 53.702 54.840 -0.323 0.000 0.806 831 L CB 1.618 43.336 42.059 -0.568 0.000 1.244 831 L HN 0.114 nan 8.230 nan 0.000 0.447 832 D N 0.361 120.444 120.400 -0.529 0.000 2.549 832 D HA 0.478 5.120 4.640 0.003 0.000 0.251 832 D C -1.054 174.973 176.300 -0.453 0.000 1.153 832 D CA -0.232 53.550 54.000 -0.363 0.000 0.861 832 D CB 0.975 41.706 40.800 -0.116 0.000 1.207 832 D HN 0.081 nan 8.370 nan 0.000 0.543 833 F N 2.319 122.231 119.950 -0.064 0.000 2.411 833 F HA 0.342 4.871 4.527 0.003 0.000 0.324 833 F C 0.255 176.034 175.800 -0.034 0.000 1.086 833 F CA -0.722 57.162 58.000 -0.194 0.000 1.028 833 F CB 0.628 39.378 39.000 -0.416 0.000 1.284 833 F HN 0.313 nan 8.300 nan 0.000 0.501 834 Y N -0.633 119.818 120.300 0.251 0.000 3.589 834 Y HA -0.237 4.315 4.550 0.004 0.000 0.218 834 Y C 1.297 177.279 175.900 0.137 0.000 1.234 834 Y CA -0.250 57.953 58.100 0.171 0.000 1.576 834 Y CB -1.986 36.525 38.460 0.084 0.000 1.487 834 Y HN 0.486 nan 8.280 nan 0.000 0.616 835 R N 0.218 120.832 120.500 0.190 0.000 2.193 835 R HA 0.046 4.387 4.340 0.003 0.000 0.213 835 R C 0.280 176.635 176.300 0.091 0.000 1.055 835 R CA 0.779 56.935 56.100 0.094 0.000 0.995 835 R CB 0.157 30.473 30.300 0.028 0.000 0.893 835 R HN 0.036 nan 8.270 nan 0.000 0.459 836 K N 1.613 122.099 120.400 0.144 0.000 2.540 836 K HA 0.182 4.504 4.320 0.003 0.000 0.218 836 K C -0.468 176.239 176.600 0.178 0.000 1.017 836 K CA -0.087 56.276 56.287 0.126 0.000 1.029 836 K CB 1.641 34.201 32.500 0.101 0.000 1.348 836 K HN 0.080 nan 8.250 nan 0.000 0.508 837 T N -2.937 111.713 114.554 0.160 0.000 2.838 837 T HA 0.285 4.637 4.350 0.003 0.000 0.292 837 T C 0.781 175.543 174.700 0.104 0.000 1.113 837 T CA -0.644 61.559 62.100 0.172 0.000 1.008 837 T CB 1.410 70.389 68.868 0.186 0.000 1.259 837 T HN 0.148 nan 8.240 nan 0.000 0.520 838 S N -0.533 115.220 115.700 0.088 0.000 2.597 838 S HA 0.298 4.769 4.470 0.003 0.000 0.224 838 S C 0.481 175.105 174.600 0.040 0.000 0.955 838 S CA -0.806 57.427 58.200 0.055 0.000 0.933 838 S CB -0.312 62.915 63.200 0.045 0.000 0.788 838 S HN 0.606 nan 8.310 nan 0.000 0.488 839 R N 2.127 122.653 120.500 0.043 0.000 2.674 839 R HA 0.542 4.884 4.340 0.003 0.000 0.266 839 R C 0.367 176.695 176.300 0.047 0.000 1.016 839 R CA -0.456 55.658 56.100 0.024 0.000 1.062 839 R CB 0.497 30.793 30.300 -0.007 0.000 1.142 839 R HN 0.424 nan 8.270 nan 0.000 0.517 840 S N 0.041 115.766 115.700 0.041 0.000 2.593 840 S HA -0.020 4.452 4.470 0.003 0.000 0.269 840 S C 1.000 175.681 174.600 0.136 0.000 1.334 840 S CA -0.432 57.812 58.200 0.072 0.000 1.015 840 S CB 0.348 63.576 63.200 0.046 0.000 0.912 840 S HN 0.590 nan 8.310 nan 0.000 0.541 841 Y N 2.520 122.822 120.300 0.003 0.000 2.181 841 Y HA -0.087 4.464 4.550 0.003 0.000 0.288 841 Y C 2.549 178.460 175.900 0.018 0.000 1.146 841 Y CA 1.581 59.691 58.100 0.015 0.000 1.164 841 Y CB -1.154 37.314 38.460 0.014 0.000 0.982 841 Y HN 0.782 nan 8.280 nan 0.000 0.515 842 S N 0.243 115.938 115.700 -0.008 0.000 2.359 842 S HA -0.231 4.241 4.470 0.003 0.000 0.224 842 S C 1.836 176.402 174.600 -0.055 0.000 1.035 842 S CA 1.682 59.837 58.200 -0.075 0.000 1.018 842 S CB -0.316 62.879 63.200 -0.007 0.000 0.876 842 S HN 0.586 nan 8.310 nan 0.000 0.448 843 E N 0.505 120.684 120.200 -0.034 0.000 2.085 843 E HA -0.131 4.221 4.350 0.003 0.000 0.194 843 E C 1.897 178.438 176.600 -0.098 0.000 0.994 843 E CA 0.943 57.297 56.400 -0.076 0.000 0.801 843 E CB -0.191 29.467 29.700 -0.070 0.000 0.743 843 E HN 0.348 nan 8.360 nan 0.000 0.453 844 I N 0.996 121.534 120.570 -0.054 0.000 2.315 844 I HA -0.211 3.961 4.170 0.003 0.000 0.248 844 I C 2.315 178.392 176.117 -0.067 0.000 1.117 844 I CA 1.164 62.424 61.300 -0.067 0.000 1.404 844 I CB -0.895 37.165 38.000 0.100 0.000 1.071 844 I HN 0.169 nan 8.210 nan 0.000 0.419 845 L N -0.008 121.152 121.223 -0.104 0.000 2.046 845 L HA -0.216 4.126 4.340 0.003 0.000 0.208 845 L C 2.500 179.346 176.870 -0.039 0.000 1.077 845 L CA 1.483 56.260 54.840 -0.105 0.000 0.747 845 L CB -1.013 40.919 42.059 -0.211 0.000 0.896 845 L HN 0.208 nan 8.230 nan 0.000 0.432 846 T N 0.340 114.869 114.554 -0.041 0.000 2.720 846 T HA -0.224 4.128 4.350 0.003 0.000 0.268 846 T C 1.845 176.535 174.700 -0.017 0.000 1.037 846 T CA 1.492 63.587 62.100 -0.009 0.000 1.144 846 T CB -0.306 68.517 68.868 -0.074 0.000 0.864 846 T HN 0.149 nan 8.240 nan 0.000 0.444 847 L N 1.072 122.238 121.223 -0.095 0.000 2.046 847 L HA -0.031 4.311 4.340 0.003 0.000 0.208 847 L C 2.178 179.028 176.870 -0.033 0.000 1.077 847 L CA 1.806 56.561 54.840 -0.142 0.000 0.747 847 L CB -0.393 41.462 42.059 -0.341 0.000 0.896 847 L HN 0.085 nan 8.230 nan 0.000 0.432 848 K N -1.195 119.205 120.400 -0.001 0.000 2.283 848 K HA -0.072 4.249 4.320 0.003 0.000 0.202 848 K C 1.688 178.344 176.600 0.094 0.000 1.048 848 K CA 1.532 57.871 56.287 0.087 0.000 0.948 848 K CB -0.229 32.346 32.500 0.125 0.000 0.742 848 K HN 0.605 nan 8.250 nan 0.000 0.458 849 T N -2.322 112.288 114.554 0.092 0.000 3.081 849 T HA -0.040 4.311 4.350 0.003 0.000 0.250 849 T C 0.495 175.272 174.700 0.128 0.000 1.100 849 T CA -0.379 61.784 62.100 0.105 0.000 1.038 849 T CB -0.339 68.588 68.868 0.098 0.000 0.962 849 T HN 0.094 nan 8.240 nan 0.000 0.516 850 Y N 1.866 122.176 120.300 0.017 0.000 2.597 850 Y HA 0.429 4.980 4.550 0.003 0.000 0.336 850 Y C -0.346 175.569 175.900 0.026 0.000 1.216 850 Y CA -1.534 56.574 58.100 0.014 0.000 1.463 850 Y CB 0.367 38.813 38.460 -0.023 0.000 1.303 850 Y HN 0.201 nan 8.280 nan 0.000 0.576 851 L N 6.886 127.665 121.223 -0.741 0.000 2.349 851 L HA 0.318 4.660 4.340 0.003 0.000 0.278 851 L C -1.550 174.782 176.870 -0.896 0.000 0.996 851 L CA -0.685 53.817 54.840 -0.564 0.000 0.825 851 L CB 0.931 42.854 42.059 -0.227 0.000 1.243 851 L HN 0.768 nan 8.230 nan 0.000 0.412 852 H N 2.094 120.754 119.070 -0.684 0.000 2.864 852 H HA 0.262 4.819 4.556 0.003 0.000 0.281 852 H C 1.017 176.102 175.328 -0.406 0.000 1.093 852 H CA 0.818 56.557 56.048 -0.514 0.000 1.453 852 H CB 0.976 30.535 29.762 -0.339 0.000 1.462 852 H HN 0.791 nan 8.280 nan 0.000 0.480 853 T N 0.897 115.124 114.554 -0.545 0.000 3.057 853 T HA -0.048 4.304 4.350 0.003 0.000 0.254 853 T C 0.408 175.070 174.700 -0.063 0.000 1.094 853 T CA 0.171 62.146 62.100 -0.209 0.000 1.088 853 T CB -0.275 68.523 68.868 -0.116 0.000 0.934 853 T HN 0.704 nan 8.240 nan 0.000 0.497 854 Y N 1.205 121.350 120.300 -0.257 0.000 3.825 854 Y HA -0.179 4.373 4.550 0.004 0.000 0.221 854 Y C 0.544 176.409 175.900 -0.058 0.000 1.195 854 Y CA 0.259 58.291 58.100 -0.114 0.000 1.699 854 Y CB -2.491 35.978 38.460 0.015 0.000 1.531 854 Y HN 0.378 nan 8.280 nan 0.000 0.640 855 E N 0.000 120.195 120.200 -0.009 0.000 2.725 855 E HA 0.000 4.352 4.350 0.003 0.000 0.291 855 E CA 0.000 56.400 56.400 0.000 0.000 0.976 855 E CB 0.000 29.677 29.700 -0.039 0.000 0.812 855 E HN 0.000 nan 8.360 nan 0.000 0.440