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 3biw_1_C DATA FIRST_RESID 52 DATA SEQUENCE DPLVTTNFGK IRGIKKELNN EILGPVIQFL GVPYAAPPTG EHRFQPPEPP DATA SEQUENCE SPWSDIRNAT QFAPVcPQNI IDGRLPEVML PVWFTNNLDV VSSYVQDQSE DATA SEQUENCE DcLYLNIYVP TXXXXXXXXX XXXXXXXXXX XXXXIRDSGG PKPVMVYIHG DATA SEQUENCE GSYMEGTGNL YDGSVLASYG NVIVITVNYR LGVLGFLSTG DQAAKGNYGL DATA SEQUENCE LDLIQALRWT SENIGFFGGD PLRITVFGSG AGGSCVNLLT LSHYSEXXXX DATA SEQUENCE XXXXKGLFQR AIAQSGTALS SWAVSFQPAK YARILATKVG cNVSDTVELV DATA SEQUENCE EcLQKKPYKE LVDQDVQPAR YHIAFGPVID GDVIPDDPQI LMEQGEFLNY DATA SEQUENCE DIMLGVNQGE GLKFVENIVD SDDGVSASDF DFAVSNFVDN LYGXXXXXXV DATA SEQUENCE LRETIKFMYT DWADRHNPET RRKTLLALFT DHQWVAPAVA TADLHSNFGS DATA SEQUENCE PTYFYAFYHH cQTDQVPAWA DAAHGDEVPY VLGIPMIGPT ELFPcNFSKN DATA SEQUENCE DVMLSAVVMT YWTNFAKTGD PNQPVXXXXX XXXXXXXXXX EVAWTRYSQK DATA SEQUENCE DQLYLHIGLK PRVKEHYRAN KVNLWLELVP HLHNL 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 52 D HA 0.000 nan 4.640 nan 0.000 0.175 52 D C 0.000 176.289 176.300 -0.018 0.000 2.045 52 D CA 0.000 53.986 54.000 -0.024 0.000 0.868 52 D CB 0.000 40.788 40.800 -0.019 0.000 0.688 53 P HA 0.434 nan 4.420 nan 0.000 0.283 53 P C -1.002 176.296 177.300 -0.004 0.000 1.412 53 P CA -0.276 62.805 63.100 -0.031 0.000 0.912 53 P CB 0.443 32.064 31.700 -0.131 0.000 1.132 54 L N 2.661 123.918 121.223 0.057 0.000 2.354 54 L HA 0.723 5.063 4.340 -0.000 0.000 0.269 54 L C -0.573 176.348 176.870 0.085 0.000 1.005 54 L CA -1.116 53.774 54.840 0.083 0.000 0.819 54 L CB 2.455 44.541 42.059 0.044 0.000 1.311 54 L HN 0.015 nan 8.230 nan 0.000 0.423 55 V N 0.662 120.623 119.914 0.078 0.000 2.777 55 V HA 0.336 4.456 4.120 -0.000 0.000 0.306 55 V C -0.435 175.609 176.094 -0.085 0.000 1.112 55 V CA -0.511 61.724 62.300 -0.109 0.000 0.917 55 V CB 2.592 34.133 31.823 -0.470 0.000 1.018 55 V HN 0.775 nan 8.190 nan 0.000 0.426 56 T N 3.582 118.031 114.554 -0.175 0.000 2.845 56 T HA 0.646 4.996 4.350 -0.000 0.000 0.288 56 T C 0.200 174.689 174.700 -0.351 0.000 0.980 56 T CA -0.252 61.729 62.100 -0.199 0.000 1.071 56 T CB 1.373 70.078 68.868 -0.271 0.000 0.941 56 T HN 0.968 nan 8.240 nan 0.000 0.487 57 T N -0.320 114.131 114.554 -0.171 0.000 2.883 57 T HA 0.402 4.752 4.350 -0.000 0.000 0.284 57 T C 0.763 175.319 174.700 -0.239 0.000 1.041 57 T CA -1.005 61.056 62.100 -0.064 0.000 1.007 57 T CB 1.070 70.171 68.868 0.388 0.000 1.220 57 T HN 0.257 nan 8.240 nan 0.000 0.552 58 N N -0.473 118.109 118.700 -0.197 0.000 2.515 58 N HA 0.135 4.875 4.740 -0.000 0.000 0.191 58 N C -0.152 174.976 175.510 -0.637 0.000 1.182 58 N CA 0.368 53.157 53.050 -0.436 0.000 0.879 58 N CB -0.349 37.836 38.487 -0.503 0.000 0.984 58 N HN 0.513 nan 8.380 nan 0.000 0.453 59 F N -0.813 119.013 119.950 -0.207 0.000 2.784 59 F HA 0.397 4.924 4.527 -0.000 0.000 0.323 59 F C 1.375 176.482 175.800 -1.155 0.000 1.085 59 F CA -0.178 57.515 58.000 -0.511 0.000 1.196 59 F CB 0.679 39.456 39.000 -0.373 0.000 1.053 59 F HN -0.118 nan 8.300 nan 0.000 0.578 60 G N 0.201 108.619 108.800 -0.637 0.000 2.368 60 G HA2 0.159 4.119 3.960 -0.000 0.000 0.302 60 G HA3 0.159 4.119 3.960 -0.000 0.000 0.302 60 G C -1.423 173.583 174.900 0.175 0.000 1.329 60 G CA -1.246 43.473 45.100 -0.634 0.000 0.935 60 G HN -0.115 nan 8.290 nan 0.000 0.590 61 K N -0.349 120.308 120.400 0.428 0.000 2.087 61 K HA 0.756 5.076 4.320 -0.000 0.000 0.255 61 K C 0.066 176.984 176.600 0.530 0.000 0.988 61 K CA -0.462 56.046 56.287 0.368 0.000 0.915 61 K CB 1.722 34.345 32.500 0.205 0.000 1.043 61 K HN 0.747 nan 8.250 nan 0.000 0.457 62 I N -2.093 118.703 120.570 0.375 0.000 2.827 62 I HA 0.485 4.655 4.170 -0.000 0.000 0.298 62 I C -1.142 175.129 176.117 0.257 0.000 1.235 62 I CA -1.169 60.330 61.300 0.332 0.000 1.021 62 I CB 2.323 40.604 38.000 0.468 0.000 1.259 62 I HN 0.477 nan 8.210 nan 0.000 0.427 63 R N 3.091 123.664 120.500 0.122 0.000 2.387 63 R HA 0.746 5.086 4.340 -0.000 0.000 0.314 63 R C -0.527 175.665 176.300 -0.180 0.000 0.958 63 R CA -0.432 55.661 56.100 -0.012 0.000 0.846 63 R CB 1.842 32.120 30.300 -0.037 0.000 1.147 63 R HN 1.050 nan 8.270 nan 0.000 0.447 64 G N 4.147 112.635 108.800 -0.520 0.000 2.420 64 G HA2 0.369 4.329 3.960 -0.000 0.000 0.331 64 G HA3 0.369 4.329 3.960 -0.000 0.000 0.331 64 G C -0.816 173.778 174.900 -0.510 0.000 1.168 64 G CA -0.887 43.700 45.100 -0.856 0.000 0.936 64 G HN 0.705 nan 8.290 nan 0.000 0.479 65 I N 0.817 121.167 120.570 -0.367 0.000 2.395 65 I HA 0.441 4.611 4.170 -0.000 0.000 0.289 65 I C 0.374 176.373 176.117 -0.195 0.000 1.023 65 I CA -0.816 60.345 61.300 -0.231 0.000 1.350 65 I CB 0.970 38.860 38.000 -0.184 0.000 1.409 65 I HN 0.399 nan 8.210 nan 0.000 0.507 66 K N 6.918 127.240 120.400 -0.129 0.000 2.154 66 K HA 0.366 4.686 4.320 -0.000 0.000 0.264 66 K C -1.028 175.546 176.600 -0.044 0.000 1.008 66 K CA -0.498 55.747 56.287 -0.071 0.000 0.937 66 K CB 0.780 33.254 32.500 -0.043 0.000 1.002 66 K HN 0.513 nan 8.250 nan 0.000 0.469 67 K N 1.955 122.351 120.400 -0.007 0.000 2.508 67 K HA 0.305 4.625 4.320 -0.000 0.000 0.260 67 K C -1.116 175.500 176.600 0.026 0.000 0.949 67 K CA -0.793 55.498 56.287 0.007 0.000 0.834 67 K CB 1.883 34.395 32.500 0.020 0.000 1.365 67 K HN 0.624 nan 8.250 nan 0.000 0.437 68 E N 1.362 121.574 120.200 0.020 0.000 2.227 68 E HA 0.467 4.817 4.350 -0.000 0.000 0.268 68 E C -0.383 176.233 176.600 0.026 0.000 0.990 68 E CA -1.033 55.380 56.400 0.022 0.000 0.856 68 E CB 1.336 31.043 29.700 0.011 0.000 1.159 68 E HN 0.217 nan 8.360 nan 0.000 0.401 69 L N 1.494 122.732 121.223 0.024 0.000 2.334 69 L HA 0.267 4.607 4.340 -0.000 0.000 0.273 69 L C 0.960 177.832 176.870 0.005 0.000 1.013 69 L CA -0.492 54.358 54.840 0.018 0.000 0.816 69 L CB 0.827 42.898 42.059 0.020 0.000 1.278 69 L HN 0.363 nan 8.230 nan 0.000 0.431 70 N N 1.543 120.241 118.700 -0.004 0.000 2.586 70 N HA -0.072 4.668 4.740 -0.000 0.000 0.206 70 N C -0.595 174.904 175.510 -0.018 0.000 1.377 70 N CA 0.409 53.453 53.050 -0.009 0.000 0.871 70 N CB -0.277 38.203 38.487 -0.011 0.000 1.107 70 N HN 0.499 nan 8.380 nan 0.000 0.462 71 N N -0.267 118.424 118.700 -0.016 0.000 2.277 71 N HA 0.138 4.878 4.740 -0.000 0.000 0.286 71 N C -0.750 174.757 175.510 -0.005 0.000 1.140 71 N CA -0.327 52.711 53.050 -0.020 0.000 0.799 71 N CB 1.349 39.812 38.487 -0.039 0.000 1.596 71 N HN -0.078 nan 8.380 nan 0.000 0.473 72 E N 1.609 121.807 120.200 -0.004 0.000 2.403 72 E HA 0.306 4.656 4.350 -0.000 0.000 0.188 72 E C 0.609 177.216 176.600 0.011 0.000 1.056 72 E CA 0.286 56.689 56.400 0.004 0.000 0.892 72 E CB 0.146 29.847 29.700 0.002 0.000 1.049 72 E HN 0.564 nan 8.360 nan 0.000 0.465 73 I N -0.923 119.656 120.570 0.015 0.000 4.312 73 I HA 0.101 4.271 4.170 -0.000 0.000 0.324 73 I C 0.172 176.321 176.117 0.053 0.000 1.298 73 I CA -0.078 61.242 61.300 0.033 0.000 1.231 73 I CB 0.470 38.492 38.000 0.036 0.000 1.152 73 I HN -0.044 nan 8.210 nan 0.000 0.421 74 L N 2.372 123.623 121.223 0.045 0.000 2.281 74 L HA 0.431 4.771 4.340 -0.000 0.000 0.285 74 L C 1.066 177.966 176.870 0.049 0.000 1.074 74 L CA -0.420 54.456 54.840 0.061 0.000 0.817 74 L CB 0.626 42.711 42.059 0.045 0.000 1.168 74 L HN 0.098 nan 8.230 nan 0.000 0.434 75 G N 4.301 113.134 108.800 0.054 0.000 2.527 75 G HA2 0.271 4.231 3.960 -0.000 0.000 0.279 75 G HA3 0.271 4.231 3.960 -0.000 0.000 0.279 75 G C -2.345 172.586 174.900 0.052 0.000 1.374 75 G CA -0.546 44.582 45.100 0.047 0.000 1.053 75 G HN 0.429 nan 8.290 nan 0.000 0.539 76 P HA 0.548 nan 4.420 nan 0.000 0.284 76 P C -1.114 176.235 177.300 0.081 0.000 1.292 76 P CA -0.511 62.623 63.100 0.056 0.000 0.800 76 P CB 1.974 33.700 31.700 0.043 0.000 1.188 77 V N 0.346 120.314 119.914 0.090 0.000 2.851 77 V HA 0.251 4.371 4.120 -0.000 0.000 0.307 77 V C -0.292 175.871 176.094 0.115 0.000 1.129 77 V CA -0.644 61.735 62.300 0.132 0.000 0.932 77 V CB 2.164 34.094 31.823 0.177 0.000 1.024 77 V HN 0.326 nan 8.190 nan 0.000 0.426 78 I N 3.557 124.221 120.570 0.155 0.000 2.297 78 I HA 0.421 4.591 4.170 -0.000 0.000 0.291 78 I C 0.189 176.386 176.117 0.133 0.000 1.033 78 I CA -0.282 61.078 61.300 0.099 0.000 1.253 78 I CB 0.983 39.095 38.000 0.186 0.000 1.396 78 I HN 0.706 nan 8.210 nan 0.000 0.476 79 Q N 5.666 125.429 119.800 -0.063 0.000 2.257 79 Q HA 0.469 4.809 4.340 -0.000 0.000 0.255 79 Q C -1.349 174.543 176.000 -0.181 0.000 0.920 79 Q CA -0.349 55.375 55.803 -0.132 0.000 0.927 79 Q CB 1.628 30.209 28.738 -0.261 0.000 1.229 79 Q HN 0.366 nan 8.270 nan 0.000 0.433 80 F N 3.017 122.889 119.950 -0.129 0.000 2.363 80 F HA 0.327 4.854 4.527 -0.000 0.000 0.366 80 F C -0.430 175.326 175.800 -0.073 0.000 1.083 80 F CA -0.593 57.401 58.000 -0.009 0.000 1.176 80 F CB 0.415 39.529 39.000 0.191 0.000 1.432 80 F HN 0.268 nan 8.300 nan 0.000 0.482 81 L N 1.830 123.038 121.223 -0.025 0.000 2.350 81 L HA 0.627 4.967 4.340 -0.000 0.000 0.275 81 L C 1.194 178.086 176.870 0.036 0.000 1.099 81 L CA -0.420 54.398 54.840 -0.036 0.000 0.808 81 L CB 1.039 42.910 42.059 -0.312 0.000 1.149 81 L HN 0.808 nan 8.230 nan 0.000 0.442 82 G N 2.027 110.901 108.800 0.124 0.000 2.157 82 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 82 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 82 G C 0.110 175.112 174.900 0.170 0.000 0.979 82 G CA -0.167 44.967 45.100 0.056 0.000 0.650 82 G HN 0.388 nan 8.290 nan 0.000 0.529 83 V N 3.081 123.109 119.914 0.190 0.000 2.557 83 V HA 0.291 4.411 4.120 -0.000 0.000 0.301 83 V C -0.990 175.206 176.094 0.171 0.000 1.026 83 V CA -0.072 62.328 62.300 0.167 0.000 1.137 83 V CB 0.817 32.664 31.823 0.041 0.000 0.917 83 V HN 0.347 nan 8.190 nan 0.000 0.484 84 P HA 0.211 nan 4.420 nan 0.000 0.293 84 P C -0.709 176.398 177.300 -0.322 0.000 1.300 84 P CA -0.238 62.719 63.100 -0.239 0.000 0.792 84 P CB 0.664 32.266 31.700 -0.164 0.000 0.925 85 Y N 2.202 122.210 120.300 -0.487 0.000 2.531 85 Y HA 0.747 5.297 4.550 -0.000 0.000 0.249 85 Y C -0.048 175.725 175.900 -0.212 0.000 1.168 85 Y CA -0.933 56.860 58.100 -0.512 0.000 1.226 85 Y CB 0.196 38.335 38.460 -0.535 0.000 1.177 85 Y HN 0.498 nan 8.280 nan 0.000 0.527 86 A N 0.597 123.057 122.820 -0.600 0.000 2.566 86 A HA 0.775 5.095 4.320 -0.000 0.000 0.290 86 A C -1.173 176.142 177.584 -0.448 0.000 1.071 86 A CA -0.736 51.037 52.037 -0.440 0.000 0.658 86 A CB -0.047 18.688 19.000 -0.441 0.000 1.285 86 A HN 0.696 nan 8.150 nan 0.000 0.427 87 A N 1.183 123.812 122.820 -0.319 0.000 2.450 87 A HA 0.617 4.937 4.320 -0.000 0.000 0.255 87 A C -2.411 175.003 177.584 -0.283 0.000 1.096 87 A CA -1.024 50.850 52.037 -0.272 0.000 0.778 87 A CB -0.795 18.054 19.000 -0.253 0.000 1.031 87 A HN 0.458 nan 8.150 nan 0.000 0.494 88 P HA 0.049 nan 4.420 nan 0.000 0.258 88 P C -2.255 174.973 177.300 -0.120 0.000 1.172 88 P CA -0.425 62.573 63.100 -0.171 0.000 0.762 88 P CB 0.131 31.783 31.700 -0.080 0.000 0.764 89 P HA 0.011 nan 4.420 nan 0.000 0.226 89 P C -0.581 176.657 177.300 -0.103 0.000 1.783 89 P CA 0.145 63.166 63.100 -0.133 0.000 0.980 89 P CB -0.329 31.252 31.700 -0.199 0.000 1.967 90 T N -3.409 111.138 114.554 -0.011 0.000 2.912 90 T HA 0.609 4.959 4.350 -0.000 0.000 0.288 90 T C 0.941 175.612 174.700 -0.049 0.000 1.030 90 T CA 0.126 62.204 62.100 -0.037 0.000 1.020 90 T CB 1.989 70.844 68.868 -0.022 0.000 1.056 90 T HN 0.291 nan 8.240 nan 0.000 0.480 91 G N 3.005 111.766 108.800 -0.065 0.000 2.815 91 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.326 91 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.326 91 G C 0.871 175.715 174.900 -0.093 0.000 1.191 91 G CA 0.969 46.023 45.100 -0.076 0.000 0.965 91 G HN 1.229 nan 8.290 nan 0.000 0.564 92 E N -0.001 120.093 120.200 -0.177 0.000 2.442 92 E HA 0.096 4.446 4.350 -0.000 0.000 0.195 92 E C 1.748 178.272 176.600 -0.128 0.000 1.030 92 E CA 0.982 57.282 56.400 -0.168 0.000 0.869 92 E CB -0.107 29.450 29.700 -0.238 0.000 0.857 92 E HN 0.670 nan 8.360 nan 0.000 0.505 93 H N 0.960 119.988 119.070 -0.070 0.000 2.548 93 H HA 0.168 4.724 4.556 -0.000 0.000 0.265 93 H C 0.441 175.659 175.328 -0.183 0.000 0.969 93 H CA 0.117 56.104 56.048 -0.102 0.000 1.155 93 H CB -0.076 29.626 29.762 -0.100 0.000 1.394 93 H HN 0.105 nan 8.280 nan 0.000 0.570 94 R N 0.369 120.801 120.500 -0.113 0.000 2.491 94 R HA -0.017 4.323 4.340 -0.000 0.000 0.283 94 R C -0.435 175.644 176.300 -0.369 0.000 1.072 94 R CA -0.089 55.793 56.100 -0.364 0.000 1.048 94 R CB -0.083 29.969 30.300 -0.414 0.000 0.983 94 R HN 0.011 nan 8.270 nan 0.000 0.450 95 F N 0.225 119.838 119.950 -0.562 0.000 3.018 95 F HA -0.236 4.291 4.527 -0.000 0.000 0.287 95 F C -0.408 174.821 175.800 -0.952 0.000 0.813 95 F CA 0.861 58.228 58.000 -1.055 0.000 1.209 95 F CB -1.539 37.196 39.000 -0.442 0.000 1.321 95 F HN 0.587 nan 8.300 nan 0.000 0.477 96 Q N -0.562 118.931 119.800 -0.511 0.000 2.372 96 Q HA 0.496 4.836 4.340 -0.000 0.000 0.273 96 Q C -2.321 173.660 176.000 -0.031 0.000 1.078 96 Q CA -2.011 53.713 55.803 -0.131 0.000 0.806 96 Q CB 2.145 30.885 28.738 0.004 0.000 1.332 96 Q HN -0.202 nan 8.270 nan 0.000 0.435 97 P HA -0.014 nan 4.420 nan 0.000 0.264 97 P C -2.270 175.043 177.300 0.022 0.000 1.179 97 P CA -0.365 62.806 63.100 0.119 0.000 0.763 97 P CB -0.115 31.661 31.700 0.126 0.000 0.806 98 P HA 0.054 nan 4.420 nan 0.000 0.269 98 P C -0.399 176.864 177.300 -0.062 0.000 1.215 98 P CA 0.377 63.446 63.100 -0.051 0.000 0.780 98 P CB 0.827 32.525 31.700 -0.003 0.000 0.898 99 E N 1.642 121.754 120.200 -0.147 0.000 2.235 99 E HA 0.470 4.820 4.350 -0.000 0.000 0.265 99 E C -2.301 174.240 176.600 -0.098 0.000 0.940 99 E CA -2.328 53.993 56.400 -0.131 0.000 0.819 99 E CB 0.541 30.091 29.700 -0.250 0.000 1.206 99 E HN 0.301 nan 8.360 nan 0.000 0.409 100 P HA 0.116 nan 4.420 nan 0.000 0.269 100 P C -2.364 174.836 177.300 -0.167 0.000 1.215 100 P CA -0.819 62.270 63.100 -0.018 0.000 0.780 100 P CB -0.007 31.747 31.700 0.090 0.000 0.898 101 P HA 0.099 nan 4.420 nan 0.000 0.277 101 P C -0.767 176.281 177.300 -0.420 0.000 1.240 101 P CA -0.075 62.779 63.100 -0.411 0.000 0.798 101 P CB 0.682 32.099 31.700 -0.473 0.000 0.979 102 S N 2.702 118.304 115.700 -0.164 0.000 2.537 102 S HA 0.386 4.856 4.470 -0.000 0.000 0.275 102 S C -1.768 172.861 174.600 0.048 0.000 1.272 102 S CA -0.888 57.292 58.200 -0.033 0.000 1.050 102 S CB 0.049 63.272 63.200 0.038 0.000 0.961 102 S HN 0.466 nan 8.310 nan 0.000 0.496 103 P HA 0.381 nan 4.420 nan 0.000 0.276 103 P C -1.234 176.101 177.300 0.057 0.000 1.244 103 P CA -0.620 62.421 63.100 -0.098 0.000 0.801 103 P CB 0.538 32.215 31.700 -0.039 0.000 1.006 104 W N 0.114 121.498 121.300 0.139 0.000 2.864 104 W HA 0.585 5.245 4.660 -0.000 0.000 0.343 104 W C 0.792 177.365 176.519 0.090 0.000 1.109 104 W CA -0.540 56.864 57.345 0.099 0.000 1.192 104 W CB 0.116 29.634 29.460 0.096 0.000 1.426 104 W HN 0.371 nan 8.180 nan 0.000 0.529 105 S N -0.030 115.811 115.700 0.234 0.000 2.371 105 S HA -0.107 4.363 4.470 -0.000 0.000 0.219 105 S C 0.859 175.586 174.600 0.211 0.000 1.040 105 S CA 1.119 59.400 58.200 0.136 0.000 0.958 105 S CB -1.058 62.200 63.200 0.097 0.000 0.860 105 S HN 0.695 nan 8.310 nan 0.000 0.487 106 D N 2.340 122.893 120.400 0.255 0.000 1.848 106 D HA -0.013 4.627 4.640 -0.000 0.000 0.246 106 D C 0.182 176.656 176.300 0.290 0.000 1.150 106 D CA 0.102 54.230 54.000 0.212 0.000 0.936 106 D CB -0.085 40.805 40.800 0.151 0.000 1.396 106 D HN 0.374 nan 8.370 nan 0.000 0.508 107 I N -0.285 120.397 120.570 0.185 0.000 2.418 107 I HA 0.188 4.357 4.170 -0.000 0.000 0.287 107 I C 0.317 176.451 176.117 0.029 0.000 1.008 107 I CA -0.760 60.636 61.300 0.162 0.000 1.104 107 I CB 1.881 39.939 38.000 0.098 0.000 1.264 107 I HN 0.173 nan 8.210 nan 0.000 0.438 108 R N 5.811 126.265 120.500 -0.077 0.000 2.265 108 R HA 0.243 4.583 4.340 -0.000 0.000 0.314 108 R C -0.487 175.731 176.300 -0.137 0.000 1.053 108 R CA -0.619 55.302 56.100 -0.299 0.000 0.931 108 R CB 0.643 30.450 30.300 -0.821 0.000 1.024 108 R HN 0.519 nan 8.270 nan 0.000 0.457 109 N N 2.922 121.544 118.700 -0.130 0.000 2.406 109 N HA 0.036 4.776 4.740 -0.000 0.000 0.265 109 N C -0.787 174.666 175.510 -0.095 0.000 1.203 109 N CA 0.233 53.227 53.050 -0.093 0.000 0.945 109 N CB 1.525 39.957 38.487 -0.091 0.000 1.165 109 N HN 0.532 nan 8.380 nan 0.000 0.485 110 A N 1.870 124.658 122.820 -0.055 0.000 3.056 110 A HA 0.295 4.615 4.320 -0.000 0.000 0.328 110 A C 0.903 178.436 177.584 -0.085 0.000 1.233 110 A CA -0.600 51.423 52.037 -0.023 0.000 0.965 110 A CB -0.316 18.759 19.000 0.125 0.000 1.123 110 A HN 0.534 nan 8.150 nan 0.000 0.502 111 T N -2.523 111.956 114.554 -0.125 0.000 3.091 111 T HA 0.357 4.707 4.350 -0.000 0.000 0.277 111 T C 0.086 174.663 174.700 -0.204 0.000 0.996 111 T CA 0.000 61.998 62.100 -0.170 0.000 0.897 111 T CB -0.454 68.324 68.868 -0.150 0.000 1.109 111 T HN 0.769 nan 8.240 nan 0.000 0.534 112 Q N 0.210 119.889 119.800 -0.201 0.000 2.426 112 Q HA 0.557 4.897 4.340 -0.000 0.000 0.278 112 Q C -1.542 174.360 176.000 -0.164 0.000 1.007 112 Q CA -1.152 54.504 55.803 -0.245 0.000 0.850 112 Q CB 0.491 29.134 28.738 -0.158 0.000 1.427 112 Q HN 0.004 nan 8.270 nan 0.000 0.391 113 F N 1.529 121.449 119.950 -0.050 0.000 2.635 113 F HA 0.242 4.769 4.527 -0.000 0.000 0.379 113 F C 1.006 176.733 175.800 -0.122 0.000 1.094 113 F CA 0.740 58.711 58.000 -0.048 0.000 1.300 113 F CB 0.222 39.227 39.000 0.009 0.000 1.035 113 F HN 0.738 nan 8.300 nan 0.000 0.581 114 A N 5.177 128.010 122.820 0.021 0.000 2.271 114 A HA 0.619 4.939 4.320 -0.000 0.000 0.288 114 A C -2.284 175.207 177.584 -0.154 0.000 1.094 114 A CA -1.692 50.183 52.037 -0.271 0.000 0.828 114 A CB -0.223 18.277 19.000 -0.832 0.000 1.091 114 A HN 0.521 nan 8.150 nan 0.000 0.493 115 P HA 0.172 nan 4.420 nan 0.000 0.267 115 P C -0.062 177.205 177.300 -0.055 0.000 1.201 115 P CA 0.090 63.138 63.100 -0.087 0.000 0.775 115 P CB 0.279 31.926 31.700 -0.087 0.000 0.854 116 V N 0.447 120.337 119.914 -0.039 0.000 3.134 116 V HA 0.412 4.532 4.120 -0.000 0.000 0.313 116 V C 0.068 176.128 176.094 -0.057 0.000 1.069 116 V CA -0.596 61.680 62.300 -0.040 0.000 1.048 116 V CB 0.773 32.572 31.823 -0.039 0.000 1.119 116 V HN 0.524 nan 8.190 nan 0.000 0.461 117 c N 1.830 120.390 118.600 -0.066 0.000 2.595 117 c HA 0.413 4.983 4.570 -0.000 0.000 0.384 117 c C -2.139 171.895 174.090 -0.094 0.000 1.289 117 c CA -0.395 55.870 56.329 -0.106 0.000 2.372 117 c CB -0.175 42.269 42.510 -0.110 0.000 2.593 117 c HN 0.805 nan 8.230 nan 0.000 0.639 118 P HA 0.089 nan 4.420 nan 0.000 0.258 118 P C -0.591 176.717 177.300 0.012 0.000 1.187 118 P CA 0.844 63.905 63.100 -0.065 0.000 0.767 118 P CB -0.021 31.609 31.700 -0.117 0.000 0.770 119 Q N 2.258 122.091 119.800 0.054 0.000 2.685 119 Q HA 0.562 4.902 4.340 -0.000 0.000 0.301 119 Q C -1.455 174.593 176.000 0.080 0.000 0.924 119 Q CA -1.096 54.748 55.803 0.069 0.000 0.755 119 Q CB 1.721 30.503 28.738 0.073 0.000 1.470 119 Q HN 0.133 nan 8.270 nan 0.000 0.434 120 N N 0.837 119.586 118.700 0.083 0.000 2.629 120 N HA 0.217 4.957 4.740 -0.000 0.000 0.277 120 N C -0.604 174.955 175.510 0.082 0.000 1.188 120 N CA -0.265 52.830 53.050 0.075 0.000 0.835 120 N CB 1.344 39.872 38.487 0.069 0.000 1.420 120 N HN 0.895 nan 8.380 nan 0.000 0.542 121 I N 1.857 122.479 120.570 0.087 0.000 3.339 121 I HA 0.139 4.309 4.170 -0.000 0.000 0.285 121 I C 1.946 178.105 176.117 0.070 0.000 1.201 121 I CA -0.146 61.217 61.300 0.105 0.000 1.434 121 I CB -0.182 37.916 38.000 0.162 0.000 1.152 121 I HN 0.323 nan 8.210 nan 0.000 0.443 122 I N 2.701 123.297 120.570 0.043 0.000 2.148 122 I HA -0.349 3.821 4.170 -0.000 0.000 0.229 122 I C 0.850 176.985 176.117 0.030 0.000 0.993 122 I CA 1.742 63.057 61.300 0.025 0.000 1.295 122 I CB -1.665 36.346 38.000 0.018 0.000 1.004 122 I HN 0.324 nan 8.210 nan 0.000 0.386 123 D N 2.333 122.752 120.400 0.032 0.000 2.483 123 D HA 0.007 4.647 4.640 -0.000 0.000 0.261 123 D C 1.237 177.559 176.300 0.037 0.000 1.318 123 D CA 0.649 54.668 54.000 0.031 0.000 1.201 123 D CB -0.594 40.225 40.800 0.031 0.000 1.127 123 D HN 0.694 nan 8.370 nan 0.000 0.519 124 G N 3.016 111.838 108.800 0.036 0.000 2.198 124 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.275 124 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.275 124 G C 1.122 176.046 174.900 0.040 0.000 0.669 124 G CA 0.726 45.849 45.100 0.040 0.000 0.765 124 G HN 0.723 nan 8.290 nan 0.000 0.488 125 R N -0.840 119.686 120.500 0.043 0.000 2.317 125 R HA 0.235 4.575 4.340 -0.000 0.000 0.208 125 R C 0.555 176.876 176.300 0.034 0.000 0.914 125 R CA -0.410 55.714 56.100 0.040 0.000 1.060 125 R CB -0.097 30.231 30.300 0.046 0.000 1.015 125 R HN 0.282 nan 8.270 nan 0.000 0.498 126 L N 1.135 122.380 121.223 0.037 0.000 2.367 126 L HA 0.421 4.761 4.340 -0.000 0.000 0.275 126 L C -2.210 174.659 176.870 -0.001 0.000 1.129 126 L CA -2.506 52.344 54.840 0.016 0.000 0.839 126 L CB -0.455 41.628 42.059 0.040 0.000 1.133 126 L HN -0.063 nan 8.230 nan 0.000 0.453 127 P HA 0.001 nan 4.420 nan 0.000 0.258 127 P C 0.389 177.675 177.300 -0.023 0.000 1.563 127 P CA 0.029 63.113 63.100 -0.026 0.000 1.241 127 P CB 0.430 32.086 31.700 -0.075 0.000 1.811 128 E N 1.510 121.726 120.200 0.026 0.000 2.196 128 E HA -0.246 4.104 4.350 -0.000 0.000 0.222 128 E C 1.840 178.482 176.600 0.071 0.000 1.072 128 E CA 2.382 58.810 56.400 0.046 0.000 0.902 128 E CB -0.734 29.011 29.700 0.075 0.000 0.780 128 E HN 0.460 nan 8.360 nan 0.000 0.467 129 V N -1.349 118.651 119.914 0.143 0.000 2.343 129 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 129 V C 2.351 178.559 176.094 0.190 0.000 1.051 129 V CA 1.978 64.442 62.300 0.273 0.000 1.036 129 V CB -0.587 31.532 31.823 0.493 0.000 0.654 129 V HN 0.149 nan 8.190 nan 0.000 0.451 130 M N -0.187 119.338 119.600 -0.125 0.000 2.175 130 M HA 0.082 4.562 4.480 -0.000 0.000 0.264 130 M C 0.576 176.788 176.300 -0.146 0.000 1.063 130 M CA 1.158 56.200 55.300 -0.430 0.000 1.119 130 M CB -0.222 31.926 32.600 -0.754 0.000 1.377 130 M HN 0.341 nan 8.290 nan 0.000 0.415 131 L N 0.924 122.030 121.223 -0.194 0.000 2.436 131 L HA 0.190 4.530 4.340 -0.000 0.000 0.265 131 L C -1.827 174.870 176.870 -0.288 0.000 1.168 131 L CA -1.636 52.995 54.840 -0.348 0.000 0.815 131 L CB -0.643 41.125 42.059 -0.485 0.000 1.109 131 L HN -0.038 nan 8.230 nan 0.000 0.462 132 P HA 0.007 nan 4.420 nan 0.000 0.270 132 P C 0.839 177.857 177.300 -0.470 0.000 1.223 132 P CA -0.247 62.452 63.100 -0.668 0.000 0.785 132 P CB 0.934 32.026 31.700 -1.013 0.000 0.923 133 V N 1.848 121.609 119.914 -0.256 0.000 2.270 133 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 133 V C 2.457 178.502 176.094 -0.082 0.000 1.043 133 V CA 2.188 64.432 62.300 -0.093 0.000 1.014 133 V CB -1.550 30.284 31.823 0.019 0.000 0.645 133 V HN 0.742 nan 8.190 nan 0.000 0.447 134 W N -0.402 120.919 121.300 0.036 0.000 2.331 134 W HA -0.293 4.367 4.660 -0.000 0.000 0.291 134 W C 2.270 178.740 176.519 -0.082 0.000 1.214 134 W CA 1.294 58.611 57.345 -0.047 0.000 1.228 134 W CB -1.287 28.120 29.460 -0.087 0.000 1.135 134 W HN 0.341 nan 8.180 nan 0.000 0.537 135 F N 2.834 122.298 119.950 -0.811 0.000 2.163 135 F HA -0.092 4.435 4.527 -0.000 0.000 0.297 135 F C 2.552 178.169 175.800 -0.306 0.000 1.094 135 F CA 2.738 60.313 58.000 -0.708 0.000 1.290 135 F CB -0.634 37.682 39.000 -1.141 0.000 1.017 135 F HN -0.278 nan 8.300 nan 0.000 0.483 136 T N 0.209 114.786 114.554 0.039 0.000 2.732 136 T HA -0.135 4.215 4.350 -0.000 0.000 0.261 136 T C 1.159 175.849 174.700 -0.017 0.000 1.040 136 T CA 1.370 63.497 62.100 0.046 0.000 1.145 136 T CB -0.451 68.439 68.868 0.036 0.000 0.866 136 T HN 0.082 nan 8.240 nan 0.000 0.427 137 N N 2.342 121.033 118.700 -0.015 0.000 2.585 137 N HA 0.064 4.803 4.740 -0.000 0.000 0.213 137 N C 0.345 175.838 175.510 -0.028 0.000 1.385 137 N CA 0.185 53.230 53.050 -0.010 0.000 0.871 137 N CB -0.162 38.331 38.487 0.010 0.000 1.154 137 N HN 0.200 nan 8.380 nan 0.000 0.474 138 N N -0.555 118.106 118.700 -0.065 0.000 2.566 138 N HA 0.031 4.771 4.740 -0.000 0.000 0.221 138 N C 0.549 175.968 175.510 -0.151 0.000 1.363 138 N CA 0.009 53.006 53.050 -0.088 0.000 1.517 138 N CB -0.460 37.980 38.487 -0.077 0.000 1.312 138 N HN 0.063 nan 8.380 nan 0.000 0.601 139 L N 0.069 121.197 121.223 -0.159 0.000 2.211 139 L HA -0.239 4.101 4.340 -0.000 0.000 0.216 139 L C 1.557 178.337 176.870 -0.150 0.000 1.092 139 L CA 1.481 56.199 54.840 -0.204 0.000 0.767 139 L CB -0.153 41.841 42.059 -0.110 0.000 0.894 139 L HN 0.244 nan 8.230 nan 0.000 0.437 140 D N -0.183 120.160 120.400 -0.095 0.000 2.119 140 D HA -0.188 4.452 4.640 -0.000 0.000 0.199 140 D C 2.162 178.429 176.300 -0.055 0.000 0.987 140 D CA 1.749 55.712 54.000 -0.063 0.000 0.858 140 D CB -0.490 40.281 40.800 -0.047 0.000 1.008 140 D HN 0.128 nan 8.370 nan 0.000 0.450 141 V N 1.423 121.310 119.914 -0.044 0.000 2.370 141 V HA -0.250 3.870 4.120 -0.000 0.000 0.252 141 V C 2.741 178.898 176.094 0.104 0.000 1.068 141 V CA 1.301 63.609 62.300 0.013 0.000 1.061 141 V CB -0.662 31.171 31.823 0.016 0.000 0.656 141 V HN 0.058 nan 8.190 nan 0.000 0.455 142 V N -0.390 119.494 119.914 -0.050 0.000 2.295 142 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 142 V C 2.551 178.644 176.094 -0.002 0.000 1.049 142 V CA 2.369 64.588 62.300 -0.135 0.000 1.024 142 V CB -0.775 30.682 31.823 -0.610 0.000 0.648 142 V HN 0.567 nan 8.190 nan 0.000 0.447 143 S N 0.854 116.523 115.700 -0.052 0.000 2.370 143 S HA -0.175 4.295 4.470 -0.000 0.000 0.226 143 S C 1.833 176.447 174.600 0.022 0.000 1.033 143 S CA 1.657 59.849 58.200 -0.013 0.000 1.011 143 S CB -0.436 62.747 63.200 -0.029 0.000 0.852 143 S HN 0.812 nan 8.310 nan 0.000 0.457 144 S N -0.135 115.569 115.700 0.006 0.000 2.954 144 S HA 0.130 4.600 4.470 -0.000 0.000 0.234 144 S C 0.599 175.104 174.600 -0.158 0.000 0.978 144 S CA 0.089 58.244 58.200 -0.074 0.000 1.045 144 S CB -0.485 62.639 63.200 -0.127 0.000 0.807 144 S HN 0.559 nan 8.310 nan 0.000 0.508 145 Y N -0.302 119.965 120.300 -0.055 0.000 2.912 145 Y HA 0.204 4.754 4.550 -0.000 0.000 0.250 145 Y C 1.832 177.698 175.900 -0.058 0.000 1.073 145 Y CA 0.124 58.188 58.100 -0.061 0.000 1.275 145 Y CB 0.534 38.938 38.460 -0.094 0.000 1.470 145 Y HN 0.312 nan 8.280 nan 0.000 0.447 146 V N 0.216 120.212 119.914 0.135 0.000 3.499 146 V HA 0.012 4.132 4.120 -0.000 0.000 0.308 146 V C 1.259 177.381 176.094 0.046 0.000 1.319 146 V CA 0.751 63.093 62.300 0.068 0.000 1.194 146 V CB -0.763 31.101 31.823 0.069 0.000 1.072 146 V HN 0.529 nan 8.190 nan 0.000 0.426 147 Q N 0.274 120.095 119.800 0.035 0.000 2.230 147 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 147 Q C 0.667 176.679 176.000 0.021 0.000 0.963 147 Q CA 1.337 57.152 55.803 0.020 0.000 0.866 147 Q CB -0.113 28.625 28.738 0.000 0.000 0.931 147 Q HN 0.561 nan 8.270 nan 0.000 0.452 148 D N 1.433 121.843 120.400 0.017 0.000 2.485 148 D HA 0.157 4.797 4.640 -0.000 0.000 0.221 148 D C -0.856 175.451 176.300 0.010 0.000 1.112 148 D CA -0.155 53.852 54.000 0.013 0.000 0.911 148 D CB 0.553 41.355 40.800 0.003 0.000 1.019 148 D HN 0.226 nan 8.370 nan 0.000 0.516 149 Q N 0.916 120.733 119.800 0.029 0.000 2.169 149 Q HA 0.684 5.024 4.340 -0.000 0.000 0.234 149 Q C -0.705 175.282 176.000 -0.021 0.000 0.980 149 Q CA -1.011 54.796 55.803 0.007 0.000 0.941 149 Q CB 1.801 30.572 28.738 0.054 0.000 1.199 149 Q HN 0.349 nan 8.270 nan 0.000 0.496 150 S N -1.088 114.507 115.700 -0.175 0.000 2.675 150 S HA -0.002 4.468 4.470 -0.000 0.000 0.297 150 S C -0.358 173.945 174.600 -0.494 0.000 1.035 150 S CA -0.580 57.460 58.200 -0.267 0.000 0.852 150 S CB 1.261 64.402 63.200 -0.098 0.000 1.051 150 S HN 0.807 nan 8.310 nan 0.000 0.451 151 E N 1.598 121.409 120.200 -0.648 0.000 2.208 151 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 151 E C 0.133 176.582 176.600 -0.251 0.000 0.988 151 E CA 0.929 57.017 56.400 -0.521 0.000 0.828 151 E CB 0.083 29.555 29.700 -0.380 0.000 0.763 151 E HN 0.561 nan 8.360 nan 0.000 0.478 152 D N -0.287 120.026 120.400 -0.145 0.000 2.468 152 D HA 0.012 4.652 4.640 -0.000 0.000 0.218 152 D C 0.156 176.509 176.300 0.088 0.000 1.155 152 D CA -0.368 53.606 54.000 -0.043 0.000 0.924 152 D CB 0.309 41.119 40.800 0.016 0.000 1.029 152 D HN 0.193 nan 8.370 nan 0.000 0.515 153 c N 2.320 120.940 118.600 0.034 0.000 3.642 153 c HA 0.357 4.927 4.570 -0.000 0.000 0.305 153 c C 0.983 175.180 174.090 0.179 0.000 1.492 153 c CA -0.692 55.739 56.329 0.170 0.000 1.809 153 c CB -1.334 41.181 42.510 0.008 0.000 2.639 153 c HN 0.492 nan 8.230 nan 0.000 0.672 154 L N 2.547 123.639 121.223 -0.219 0.000 2.583 154 L HA 0.192 4.532 4.340 -0.000 0.000 0.280 154 L C -0.802 175.562 176.870 -0.844 0.000 1.261 154 L CA 0.920 55.448 54.840 -0.520 0.000 1.164 154 L CB -1.142 40.450 42.059 -0.779 0.000 1.402 154 L HN 0.414 nan 8.230 nan 0.000 0.443 155 Y N 1.907 122.182 120.300 -0.042 0.000 2.581 155 Y HA 0.683 5.233 4.550 -0.000 0.000 0.345 155 Y C -0.128 175.939 175.900 0.279 0.000 1.036 155 Y CA -1.367 56.778 58.100 0.074 0.000 1.042 155 Y CB 1.906 40.373 38.460 0.012 0.000 1.289 155 Y HN 0.182 nan 8.280 nan 0.000 0.471 156 L N -0.148 121.279 121.223 0.340 0.000 2.393 156 L HA 0.763 5.103 4.340 -0.000 0.000 0.260 156 L C -1.411 175.554 176.870 0.158 0.000 1.002 156 L CA -1.103 53.845 54.840 0.181 0.000 0.818 156 L CB 1.925 43.965 42.059 -0.032 0.000 1.369 156 L HN 0.435 nan 8.230 nan 0.000 0.412 157 N N 2.267 121.094 118.700 0.211 0.000 2.399 157 N HA 0.653 5.393 4.740 -0.000 0.000 0.295 157 N C -1.121 174.506 175.510 0.194 0.000 1.048 157 N CA -0.173 53.009 53.050 0.221 0.000 0.886 157 N CB 2.470 41.194 38.487 0.394 0.000 1.185 157 N HN 0.667 nan 8.380 nan 0.000 0.487 158 I N 2.014 122.632 120.570 0.079 0.000 2.406 158 I HA 0.296 4.466 4.170 -0.000 0.000 0.290 158 I C -0.888 175.294 176.117 0.108 0.000 0.999 158 I CA -0.760 60.604 61.300 0.106 0.000 1.124 158 I CB 0.913 38.853 38.000 -0.100 0.000 1.289 158 I HN 0.331 nan 8.210 nan 0.000 0.441 159 Y N 5.415 125.843 120.300 0.212 0.000 2.464 159 Y HA 0.476 5.026 4.550 -0.000 0.000 0.326 159 Y C -0.203 175.825 175.900 0.212 0.000 0.969 159 Y CA -0.950 57.288 58.100 0.231 0.000 1.270 159 Y CB 1.473 40.044 38.460 0.185 0.000 1.103 159 Y HN 0.201 nan 8.280 nan 0.000 0.491 160 V N 5.957 126.095 119.914 0.373 0.000 2.472 160 V HA 0.434 4.554 4.120 -0.000 0.000 0.290 160 V C -2.098 174.145 176.094 0.248 0.000 1.037 160 V CA -2.225 60.257 62.300 0.303 0.000 0.908 160 V CB 1.623 33.657 31.823 0.351 0.000 0.985 160 V HN 0.510 nan 8.190 nan 0.000 0.454 161 P HA 0.449 nan 4.420 nan 0.000 0.279 161 P C -0.609 176.764 177.300 0.122 0.000 1.252 161 P CA -0.081 63.102 63.100 0.139 0.000 0.811 161 P CB 1.639 33.402 31.700 0.105 0.000 1.035 187 R N 3.721 124.227 120.500 0.010 0.000 2.690 187 R HA 0.397 4.737 4.340 -0.000 0.000 0.419 187 R C 0.583 176.884 176.300 0.001 0.000 1.090 187 R CA 0.343 56.447 56.100 0.007 0.000 1.064 187 R CB 0.090 30.394 30.300 0.007 0.000 1.391 187 R HN 0.661 nan 8.270 nan 0.000 0.586 188 D N -1.949 118.450 120.400 -0.002 0.000 2.929 188 D HA 0.144 4.784 4.640 -0.000 0.000 0.291 188 D C 0.020 176.313 176.300 -0.011 0.000 1.086 188 D CA 0.078 54.072 54.000 -0.010 0.000 0.971 188 D CB 0.286 41.074 40.800 -0.019 0.000 1.275 188 D HN -0.127 nan 8.370 nan 0.000 0.469 189 S N -0.446 115.249 115.700 -0.008 0.000 2.532 189 S HA 0.667 5.137 4.470 -0.000 0.000 0.299 189 S C -0.203 174.397 174.600 0.001 0.000 1.105 189 S CA -0.599 57.596 58.200 -0.008 0.000 1.018 189 S CB 2.131 65.323 63.200 -0.014 0.000 1.021 189 S HN 0.444 nan 8.310 nan 0.000 0.483 190 G N 0.740 109.541 108.800 0.000 0.000 2.415 190 G HA2 0.760 4.720 3.960 -0.000 0.000 0.327 190 G HA3 0.760 4.720 3.960 -0.000 0.000 0.327 190 G C 0.015 174.917 174.900 0.003 0.000 1.182 190 G CA -0.262 44.841 45.100 0.005 0.000 0.924 190 G HN 1.142 nan 8.290 nan 0.000 0.470 191 G N 1.648 110.453 108.800 0.008 0.000 2.381 191 G HA2 0.196 4.156 3.960 -0.000 0.000 0.672 191 G HA3 0.196 4.156 3.960 -0.000 0.000 0.672 191 G C -3.073 171.832 174.900 0.009 0.000 1.324 191 G CA -0.966 44.137 45.100 0.005 0.000 0.975 191 G HN 0.747 nan 8.290 nan 0.000 0.593 192 P HA 0.317 nan 4.420 nan 0.000 0.268 192 P C -0.122 177.183 177.300 0.008 0.000 1.204 192 P CA 0.166 63.272 63.100 0.010 0.000 0.768 192 P CB 0.450 32.149 31.700 -0.002 0.000 0.842 193 K N 4.596 125.009 120.400 0.021 0.000 2.144 193 K HA 0.356 4.675 4.320 -0.000 0.000 0.270 193 K C -2.292 174.315 176.600 0.011 0.000 1.005 193 K CA -1.815 54.483 56.287 0.018 0.000 0.932 193 K CB 0.097 32.620 32.500 0.038 0.000 1.021 193 K HN 0.302 nan 8.250 nan 0.000 0.462 194 P HA 0.009 nan 4.420 nan 0.000 0.271 194 P C -0.936 176.369 177.300 0.009 0.000 1.233 194 P CA -0.294 62.799 63.100 -0.012 0.000 0.789 194 P CB 0.553 32.232 31.700 -0.034 0.000 0.951 195 V N 2.846 122.767 119.914 0.012 0.000 2.483 195 V HA 0.371 4.490 4.120 -0.000 0.000 0.297 195 V C -0.059 176.062 176.094 0.046 0.000 1.027 195 V CA -0.265 62.059 62.300 0.039 0.000 0.855 195 V CB 1.373 33.222 31.823 0.044 0.000 0.995 195 V HN 0.457 nan 8.190 nan 0.000 0.424 196 M N 5.042 124.681 119.600 0.065 0.000 2.047 196 M HA 0.452 4.932 4.480 -0.000 0.000 0.342 196 M C -0.899 175.588 176.300 0.312 0.000 1.058 196 M CA -0.581 54.762 55.300 0.072 0.000 0.991 196 M CB 1.685 34.197 32.600 -0.147 0.000 1.474 196 M HN 0.366 nan 8.290 nan 0.000 0.419 197 V N 4.042 124.152 119.914 0.326 0.000 2.368 197 V HA 0.133 4.253 4.120 -0.000 0.000 0.266 197 V C -0.732 175.577 176.094 0.358 0.000 1.045 197 V CA -0.544 61.928 62.300 0.286 0.000 0.899 197 V CB 0.212 32.087 31.823 0.087 0.000 1.006 197 V HN 0.576 nan 8.190 nan 0.000 0.470 198 Y N 6.220 126.574 120.300 0.090 0.000 2.425 198 Y HA 0.502 5.052 4.550 -0.000 0.000 0.347 198 Y C 0.261 175.978 175.900 -0.305 0.000 0.976 198 Y CA -0.891 56.924 58.100 -0.476 0.000 1.190 198 Y CB 0.745 38.764 38.460 -0.735 0.000 1.136 198 Y HN 0.567 nan 8.280 nan 0.000 0.517 199 I N 8.266 128.306 120.570 -0.883 0.000 2.294 199 I HA 0.070 4.240 4.170 -0.000 0.000 0.295 199 I C 0.540 176.095 176.117 -0.937 0.000 1.098 199 I CA -0.449 60.469 61.300 -0.636 0.000 1.277 199 I CB -0.163 37.542 38.000 -0.492 0.000 1.434 199 I HN 0.649 nan 8.210 nan 0.000 0.498 200 H N 5.883 124.565 119.070 -0.647 0.000 2.660 200 H HA 0.653 5.209 4.556 -0.000 0.000 0.374 200 H C -0.214 175.052 175.328 -0.105 0.000 1.291 200 H CA -0.489 55.279 56.048 -0.467 0.000 1.437 200 H CB 1.431 31.176 29.762 -0.028 0.000 1.509 200 H HN 0.647 nan 8.280 nan 0.000 0.614 201 G N -1.138 107.456 108.800 -0.345 0.000 2.503 201 G HA2 0.417 4.377 3.960 -0.000 0.000 0.305 201 G HA3 0.417 4.377 3.960 -0.000 0.000 0.305 201 G C -0.169 174.578 174.900 -0.255 0.000 1.575 201 G CA -0.149 44.716 45.100 -0.392 0.000 0.890 201 G HN 0.878 nan 8.290 nan 0.000 0.612 202 G N -0.200 108.396 108.800 -0.339 0.000 2.639 202 G HA2 0.456 4.416 3.960 -0.000 0.000 0.201 202 G HA3 0.456 4.416 3.960 -0.000 0.000 0.201 202 G C 1.072 175.688 174.900 -0.474 0.000 1.260 202 G CA 1.396 46.241 45.100 -0.426 0.000 0.749 202 G HN 1.838 nan 8.290 nan 0.000 0.611 203 S N -2.243 113.190 115.700 -0.445 0.000 2.998 203 S HA 0.275 4.745 4.470 -0.000 0.000 0.256 203 S C 0.491 174.904 174.600 -0.312 0.000 0.970 203 S CA 0.315 58.230 58.200 -0.474 0.000 1.238 203 S CB 0.345 63.356 63.200 -0.314 0.000 1.170 203 S HN 0.658 nan 8.310 nan 0.000 0.663 204 Y N -0.051 120.173 120.300 -0.126 0.000 4.866 204 Y HA -0.215 4.335 4.550 -0.000 0.000 0.282 204 Y C 1.375 177.323 175.900 0.080 0.000 0.899 204 Y CA 0.812 58.893 58.100 -0.032 0.000 1.720 204 Y CB -2.036 36.286 38.460 -0.230 0.000 1.107 204 Y HN 0.367 nan 8.280 nan 0.000 0.460 205 M N 0.316 119.999 119.600 0.138 0.000 2.492 205 M HA 0.185 4.665 4.480 -0.000 0.000 0.255 205 M C 0.770 177.122 176.300 0.088 0.000 1.139 205 M CA 1.169 56.547 55.300 0.130 0.000 1.096 205 M CB -0.041 32.618 32.600 0.100 0.000 1.360 205 M HN 0.413 nan 8.290 nan 0.000 0.480 206 E N -0.312 119.920 120.200 0.053 0.000 2.447 206 E HA 0.655 5.005 4.350 -0.000 0.000 0.279 206 E C -0.227 176.476 176.600 0.170 0.000 1.053 206 E CA -0.397 56.064 56.400 0.102 0.000 0.840 206 E CB 1.322 31.103 29.700 0.135 0.000 1.409 206 E HN 0.106 nan 8.360 nan 0.000 0.461 207 G N -0.688 108.271 108.800 0.265 0.000 2.384 207 G HA2 0.361 4.321 3.960 -0.000 0.000 0.668 207 G HA3 0.361 4.321 3.960 -0.000 0.000 0.668 207 G C -1.041 173.882 174.900 0.037 0.000 1.280 207 G CA -0.039 45.283 45.100 0.370 0.000 0.992 207 G HN 1.152 nan 8.290 nan 0.000 0.512 208 T N -1.546 112.783 114.554 -0.374 0.000 3.841 208 T HA 0.566 4.916 4.350 -0.000 0.000 0.428 208 T C 1.138 175.617 174.700 -0.368 0.000 1.447 208 T CA 0.828 62.573 62.100 -0.591 0.000 1.135 208 T CB 0.443 69.163 68.868 -0.248 0.000 1.389 208 T HN 2.215 nan 8.240 nan 0.000 0.461 209 G N 2.889 111.497 108.800 -0.321 0.000 2.653 209 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.212 209 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.212 209 G C 1.074 176.044 174.900 0.117 0.000 1.138 209 G CA 0.563 45.753 45.100 0.150 0.000 0.782 209 G HN 0.712 nan 8.290 nan 0.000 0.535 210 N N 0.096 118.674 118.700 -0.202 0.000 2.396 210 N HA 0.024 4.764 4.740 -0.000 0.000 0.180 210 N C 2.033 177.337 175.510 -0.344 0.000 1.028 210 N CA 0.312 52.987 53.050 -0.625 0.000 0.893 210 N CB -0.103 37.745 38.487 -1.065 0.000 0.967 210 N HN 0.322 nan 8.380 nan 0.000 0.440 211 L N -0.600 120.401 121.223 -0.369 0.000 2.027 211 L HA -0.070 4.269 4.340 -0.000 0.000 0.206 211 L C 0.010 176.618 176.870 -0.437 0.000 1.074 211 L CA 0.838 55.257 54.840 -0.701 0.000 0.745 211 L CB -0.372 41.207 42.059 -0.800 0.000 0.898 211 L HN 0.152 nan 8.230 nan 0.000 0.433 212 Y N 0.357 120.588 120.300 -0.115 0.000 2.531 212 Y HA 0.129 4.679 4.550 -0.000 0.000 0.347 212 Y C 0.051 175.891 175.900 -0.101 0.000 1.024 212 Y CA -0.853 57.161 58.100 -0.143 0.000 1.306 212 Y CB -0.085 38.240 38.460 -0.224 0.000 1.149 212 Y HN -0.051 nan 8.280 nan 0.000 0.527 213 D N 3.396 123.794 120.400 -0.003 0.000 2.428 213 D HA 0.193 4.833 4.640 -0.000 0.000 0.221 213 D C 0.373 176.499 176.300 -0.291 0.000 1.123 213 D CA -0.509 53.465 54.000 -0.044 0.000 0.869 213 D CB 0.886 41.759 40.800 0.121 0.000 1.032 213 D HN 0.757 nan 8.370 nan 0.000 0.506 214 G N 2.644 111.030 108.800 -0.689 0.000 3.636 214 G HA2 0.209 4.169 3.960 -0.000 0.000 0.260 214 G HA3 0.209 4.169 3.960 -0.000 0.000 0.260 214 G C 0.721 175.359 174.900 -0.435 0.000 1.014 214 G CA -0.405 44.392 45.100 -0.505 0.000 1.797 214 G HN 0.412 nan 8.290 nan 0.000 0.637 215 S N -0.057 115.525 115.700 -0.196 0.000 2.510 215 S HA -0.040 4.430 4.470 -0.000 0.000 0.230 215 S C 2.534 177.152 174.600 0.030 0.000 1.066 215 S CA 0.326 58.549 58.200 0.039 0.000 0.941 215 S CB 0.141 63.426 63.200 0.141 0.000 0.829 215 S HN 0.265 nan 8.310 nan 0.000 0.530 216 V N 2.666 122.566 119.914 -0.023 0.000 2.407 216 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 216 V C 2.281 178.392 176.094 0.027 0.000 1.055 216 V CA 1.405 63.693 62.300 -0.019 0.000 1.049 216 V CB -0.738 31.021 31.823 -0.107 0.000 0.662 216 V HN 0.323 nan 8.190 nan 0.000 0.455 217 L N 1.221 122.436 121.223 -0.013 0.000 1.976 217 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 217 L C 2.548 179.458 176.870 0.066 0.000 1.071 217 L CA 2.428 57.287 54.840 0.031 0.000 0.746 217 L CB -1.283 40.772 42.059 -0.007 0.000 0.890 217 L HN 0.206 nan 8.230 nan 0.000 0.432 218 A N -1.315 121.538 122.820 0.056 0.000 1.903 218 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 218 A C 2.511 180.150 177.584 0.092 0.000 1.191 218 A CA 2.573 54.666 52.037 0.094 0.000 0.638 218 A CB -1.374 17.721 19.000 0.158 0.000 0.823 218 A HN 0.614 nan 8.150 nan 0.000 0.451 219 S N -2.134 113.627 115.700 0.100 0.000 2.343 219 S HA -0.189 4.281 4.470 -0.000 0.000 0.212 219 S C 1.893 176.547 174.600 0.089 0.000 1.033 219 S CA 1.459 59.717 58.200 0.096 0.000 1.004 219 S CB -0.714 62.546 63.200 0.099 0.000 0.977 219 S HN 0.668 nan 8.310 nan 0.000 0.427 220 Y N 1.801 122.097 120.300 -0.007 0.000 2.283 220 Y HA -0.110 4.440 4.550 -0.000 0.000 0.285 220 Y C 2.016 177.909 175.900 -0.010 0.000 1.176 220 Y CA 1.614 59.703 58.100 -0.019 0.000 1.229 220 Y CB -0.761 37.673 38.460 -0.043 0.000 0.975 220 Y HN 0.349 nan 8.280 nan 0.000 0.537 221 G N -1.268 107.469 108.800 -0.104 0.000 2.762 221 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.209 221 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.209 221 G C 0.228 175.063 174.900 -0.109 0.000 1.134 221 G CA 0.393 45.394 45.100 -0.165 0.000 0.781 221 G HN 0.430 nan 8.290 nan 0.000 0.528 222 N N -1.234 117.439 118.700 -0.046 0.000 2.862 222 N HA -0.171 4.569 4.740 -0.000 0.000 0.246 222 N C -0.431 175.082 175.510 0.004 0.000 1.101 222 N CA 0.782 53.822 53.050 -0.016 0.000 0.679 222 N CB -1.567 36.895 38.487 -0.043 0.000 0.986 222 N HN 0.882 nan 8.380 nan 0.000 0.557 223 V N -1.982 117.949 119.914 0.027 0.000 3.078 223 V HA 0.731 4.851 4.120 -0.000 0.000 0.311 223 V C 0.513 176.654 176.094 0.078 0.000 1.138 223 V CA -1.171 61.151 62.300 0.036 0.000 1.007 223 V CB 1.938 33.770 31.823 0.015 0.000 1.045 223 V HN 0.134 nan 8.190 nan 0.000 0.432 224 I N 2.204 122.827 120.570 0.088 0.000 2.396 224 I HA 0.559 4.729 4.170 -0.000 0.000 0.292 224 I C -0.468 175.736 176.117 0.145 0.000 0.999 224 I CA -0.710 60.668 61.300 0.131 0.000 1.310 224 I CB 1.727 39.792 38.000 0.109 0.000 1.404 224 I HN 0.446 nan 8.210 nan 0.000 0.496 225 V N 7.447 127.490 119.914 0.214 0.000 2.555 225 V HA 0.486 4.606 4.120 -0.000 0.000 0.302 225 V C -0.150 176.147 176.094 0.338 0.000 1.038 225 V CA -0.513 61.930 62.300 0.239 0.000 0.887 225 V CB 2.116 34.036 31.823 0.162 0.000 0.991 225 V HN 0.460 nan 8.190 nan 0.000 0.434 226 I N 3.918 124.672 120.570 0.305 0.000 2.439 226 I HA 0.358 4.527 4.170 -0.000 0.000 0.283 226 I C 0.186 176.474 176.117 0.286 0.000 1.023 226 I CA -0.374 61.102 61.300 0.292 0.000 1.100 226 I CB 2.206 40.306 38.000 0.167 0.000 1.238 226 I HN 0.702 nan 8.210 nan 0.000 0.445 227 T N 3.581 118.344 114.554 0.348 0.000 2.845 227 T HA 0.686 5.036 4.350 -0.000 0.000 0.288 227 T C -0.246 174.586 174.700 0.219 0.000 0.980 227 T CA -0.562 61.715 62.100 0.295 0.000 1.071 227 T CB 1.720 70.796 68.868 0.346 0.000 0.941 227 T HN 0.195 nan 8.240 nan 0.000 0.487 228 V N 3.020 123.031 119.914 0.161 0.000 2.881 228 V HA 0.569 4.689 4.120 -0.000 0.000 0.316 228 V C -0.261 175.977 176.094 0.241 0.000 1.070 228 V CA -1.134 61.249 62.300 0.139 0.000 0.976 228 V CB 2.074 33.905 31.823 0.013 0.000 1.038 228 V HN 0.903 nan 8.190 nan 0.000 0.446 229 N N 1.540 120.412 118.700 0.287 0.000 2.321 229 N HA 0.663 5.403 4.740 -0.000 0.000 0.299 229 N C -1.408 174.349 175.510 0.413 0.000 1.048 229 N CA -0.320 52.889 53.050 0.265 0.000 0.836 229 N CB 1.961 40.563 38.487 0.191 0.000 1.269 229 N HN 0.714 nan 8.380 nan 0.000 0.486 230 Y N -1.480 118.957 120.300 0.229 0.000 2.597 230 Y HA 0.529 5.079 4.550 -0.000 0.000 0.340 230 Y C -0.118 175.845 175.900 0.105 0.000 1.097 230 Y CA -1.311 56.895 58.100 0.178 0.000 1.037 230 Y CB 0.795 39.350 38.460 0.158 0.000 1.305 230 Y HN 0.177 nan 8.280 nan 0.000 0.463 231 R N 2.473 123.002 120.500 0.048 0.000 2.504 231 R HA 0.247 4.587 4.340 -0.000 0.000 0.291 231 R C -0.554 175.662 176.300 -0.139 0.000 0.974 231 R CA 0.386 56.425 56.100 -0.103 0.000 1.077 231 R CB 0.027 30.243 30.300 -0.140 0.000 0.926 231 R HN 0.687 nan 8.270 nan 0.000 0.407 232 L N 1.512 122.672 121.223 -0.105 0.000 2.464 232 L HA 0.530 4.870 4.340 -0.000 0.000 0.264 232 L C 1.508 178.446 176.870 0.114 0.000 1.062 232 L CA -0.767 54.117 54.840 0.073 0.000 0.935 232 L CB 0.152 42.230 42.059 0.032 0.000 1.603 232 L HN 0.833 nan 8.230 nan 0.000 0.528 233 G N 0.029 108.970 108.800 0.235 0.000 2.596 233 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.334 233 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.334 233 G C 0.903 175.843 174.900 0.067 0.000 1.351 233 G CA 0.689 45.893 45.100 0.173 0.000 0.965 233 G HN 0.481 nan 8.290 nan 0.000 0.533 234 V N 0.701 120.487 119.914 -0.213 0.000 2.287 234 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 234 V C 3.021 179.072 176.094 -0.071 0.000 1.053 234 V CA 2.583 64.622 62.300 -0.436 0.000 1.027 234 V CB -1.001 30.564 31.823 -0.430 0.000 0.646 234 V HN 0.546 nan 8.190 nan 0.000 0.447 235 L N 0.779 121.921 121.223 -0.134 0.000 2.089 235 L HA -0.173 4.167 4.340 -0.000 0.000 0.213 235 L C 2.501 179.251 176.870 -0.200 0.000 1.079 235 L CA 1.946 56.617 54.840 -0.282 0.000 0.758 235 L CB -1.043 40.846 42.059 -0.284 0.000 0.891 235 L HN 0.537 nan 8.230 nan 0.000 0.433 236 G N -1.659 107.041 108.800 -0.166 0.000 2.595 236 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.213 236 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.213 236 G C 0.922 175.444 174.900 -0.630 0.000 1.141 236 G CA 0.027 44.877 45.100 -0.417 0.000 0.806 236 G HN 0.322 nan 8.290 nan 0.000 0.530 237 F N -0.254 119.817 119.950 0.201 0.000 2.781 237 F HA 0.442 4.969 4.527 -0.000 0.000 0.322 237 F C 0.547 176.464 175.800 0.195 0.000 1.108 237 F CA -0.964 57.099 58.000 0.106 0.000 1.179 237 F CB 0.366 39.370 39.000 0.007 0.000 1.072 237 F HN -0.103 nan 8.300 nan 0.000 0.545 238 L N 1.668 123.151 121.223 0.433 0.000 2.534 238 L HA 0.245 4.585 4.340 -0.000 0.000 0.271 238 L C 0.325 177.370 176.870 0.293 0.000 1.178 238 L CA 0.409 55.491 54.840 0.403 0.000 0.907 238 L CB 0.495 42.729 42.059 0.291 0.000 1.164 238 L HN 0.184 nan 8.230 nan 0.000 0.482 239 S N 1.827 117.655 115.700 0.213 0.000 2.599 239 S HA 0.514 4.984 4.470 -0.000 0.000 0.294 239 S C 0.603 175.248 174.600 0.075 0.000 1.094 239 S CA -0.064 58.195 58.200 0.098 0.000 0.931 239 S CB 1.896 65.118 63.200 0.036 0.000 1.093 239 S HN 0.750 nan 8.310 nan 0.000 0.488 240 T N -0.182 114.390 114.554 0.030 0.000 3.069 240 T HA 0.435 4.785 4.350 -0.000 0.000 0.252 240 T C 1.448 176.156 174.700 0.013 0.000 1.053 240 T CA 0.675 62.784 62.100 0.015 0.000 0.964 240 T CB 0.051 68.913 68.868 -0.010 0.000 1.005 240 T HN 1.656 nan 8.240 nan 0.000 0.532 241 G N 2.264 111.072 108.800 0.013 0.000 2.320 241 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 241 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 241 G C 0.015 174.917 174.900 0.004 0.000 1.033 241 G CA 0.455 45.559 45.100 0.006 0.000 0.620 241 G HN 0.847 nan 8.290 nan 0.000 0.517 242 D N -1.068 119.336 120.400 0.006 0.000 2.636 242 D HA 0.560 5.200 4.640 -0.000 0.000 0.236 242 D C 1.317 177.626 176.300 0.014 0.000 1.176 242 D CA 0.041 54.047 54.000 0.008 0.000 1.081 242 D CB -0.341 40.464 40.800 0.007 0.000 1.213 242 D HN -0.011 nan 8.370 nan 0.000 0.633 243 Q N -0.498 119.313 119.800 0.018 0.000 2.230 243 Q HA 0.146 4.486 4.340 -0.000 0.000 0.202 243 Q C 1.899 177.919 176.000 0.033 0.000 0.963 243 Q CA 1.907 57.727 55.803 0.028 0.000 0.866 243 Q CB -0.819 27.936 28.738 0.028 0.000 0.931 243 Q HN 0.536 nan 8.270 nan 0.000 0.452 244 A N 0.006 122.836 122.820 0.018 0.000 1.915 244 A HA 0.033 4.353 4.320 -0.000 0.000 0.220 244 A C 0.955 178.549 177.584 0.017 0.000 1.198 244 A CA 1.689 53.730 52.037 0.005 0.000 0.647 244 A CB -0.598 18.390 19.000 -0.020 0.000 0.825 244 A HN 0.449 nan 8.150 nan 0.000 0.456 245 A N -1.684 121.157 122.820 0.035 0.000 2.442 245 A HA 0.605 4.925 4.320 -0.000 0.000 0.284 245 A C -0.027 177.619 177.584 0.103 0.000 1.058 245 A CA -0.524 51.587 52.037 0.123 0.000 0.738 245 A CB 0.896 19.913 19.000 0.029 0.000 1.242 245 A HN 0.218 nan 8.150 nan 0.000 0.421 246 K N 2.060 122.521 120.400 0.101 0.000 2.500 246 K HA 0.328 4.648 4.320 -0.000 0.000 0.206 246 K C 1.262 177.691 176.600 -0.285 0.000 1.034 246 K CA 0.422 56.675 56.287 -0.055 0.000 1.179 246 K CB 0.276 32.756 32.500 -0.033 0.000 0.884 246 K HN 1.319 nan 8.250 nan 0.000 0.493 247 G N 2.626 111.145 108.800 -0.469 0.000 2.564 247 G HA2 -0.406 3.553 3.960 -0.000 0.000 0.309 247 G HA3 -0.406 3.553 3.960 -0.000 0.000 0.309 247 G C 0.138 174.428 174.900 -1.016 0.000 1.320 247 G CA 0.233 44.856 45.100 -0.795 0.000 0.941 247 G HN 0.558 nan 8.290 nan 0.000 0.543 248 N N -2.005 116.432 118.700 -0.439 0.000 2.681 248 N HA -0.231 4.509 4.740 -0.000 0.000 0.250 248 N C 0.927 176.231 175.510 -0.344 0.000 1.133 248 N CA 1.871 54.775 53.050 -0.243 0.000 0.732 248 N CB -1.197 37.146 38.487 -0.241 0.000 1.107 248 N HN 0.615 nan 8.380 nan 0.000 0.559 249 Y N -0.037 120.157 120.300 -0.178 0.000 2.181 249 Y HA -0.041 4.509 4.550 -0.000 0.000 0.288 249 Y C 2.628 178.385 175.900 -0.237 0.000 1.146 249 Y CA 1.512 59.495 58.100 -0.195 0.000 1.164 249 Y CB -0.774 37.573 38.460 -0.188 0.000 0.982 249 Y HN 0.235 nan 8.280 nan 0.000 0.515 250 G N -0.290 108.281 108.800 -0.383 0.000 2.448 250 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.219 250 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.219 250 G C 1.710 176.620 174.900 0.018 0.000 1.127 250 G CA 0.711 45.722 45.100 -0.149 0.000 0.766 250 G HN 0.354 nan 8.290 nan 0.000 0.552 251 L N -0.375 120.855 121.223 0.012 0.000 2.072 251 L HA 0.070 4.410 4.340 -0.000 0.000 0.205 251 L C 2.848 179.691 176.870 -0.045 0.000 1.079 251 L CA 0.526 55.352 54.840 -0.023 0.000 0.752 251 L CB -0.279 41.766 42.059 -0.023 0.000 0.906 251 L HN 0.196 nan 8.230 nan 0.000 0.436 252 L N -0.603 120.598 121.223 -0.037 0.000 2.141 252 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 252 L C 2.197 179.112 176.870 0.074 0.000 1.094 252 L CA 0.916 55.759 54.840 0.005 0.000 0.763 252 L CB -0.562 41.502 42.059 0.008 0.000 0.908 252 L HN 0.273 nan 8.230 nan 0.000 0.437 253 D N 0.197 120.652 120.400 0.092 0.000 2.097 253 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 253 D C 2.385 178.790 176.300 0.175 0.000 0.989 253 D CA 1.232 55.353 54.000 0.201 0.000 0.827 253 D CB -0.175 40.771 40.800 0.243 0.000 0.966 253 D HN 0.271 nan 8.370 nan 0.000 0.456 254 L N 0.601 121.832 121.223 0.014 0.000 2.079 254 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 254 L C 2.523 179.346 176.870 -0.079 0.000 1.081 254 L CA 0.714 55.480 54.840 -0.123 0.000 0.752 254 L CB -0.284 41.612 42.059 -0.271 0.000 0.896 254 L HN 0.054 nan 8.230 nan 0.000 0.433 255 I N -0.746 119.826 120.570 0.003 0.000 2.286 255 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 255 I C 2.622 178.803 176.117 0.107 0.000 1.104 255 I CA 0.769 62.109 61.300 0.066 0.000 1.397 255 I CB -0.251 37.822 38.000 0.122 0.000 1.072 255 I HN 0.286 nan 8.210 nan 0.000 0.417 256 Q N 1.720 121.610 119.800 0.149 0.000 2.135 256 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 256 Q C 2.122 178.259 176.000 0.227 0.000 0.981 256 Q CA 2.307 58.251 55.803 0.234 0.000 0.856 256 Q CB -0.359 28.559 28.738 0.301 0.000 0.902 256 Q HN 0.491 nan 8.270 nan 0.000 0.425 257 A N -0.041 122.749 122.820 -0.050 0.000 1.902 257 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 257 A C 2.129 179.700 177.584 -0.022 0.000 1.181 257 A CA 1.399 53.192 52.037 -0.406 0.000 0.623 257 A CB -0.692 17.812 19.000 -0.827 0.000 0.818 257 A HN 0.447 nan 8.150 nan 0.000 0.443 258 L N -1.106 120.121 121.223 0.007 0.000 2.093 258 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 258 L C 2.883 179.839 176.870 0.143 0.000 1.085 258 L CA 0.906 55.791 54.840 0.074 0.000 0.755 258 L CB -0.518 41.581 42.059 0.067 0.000 0.904 258 L HN 0.320 nan 8.230 nan 0.000 0.435 259 R N -0.560 120.042 120.500 0.169 0.000 2.070 259 R HA -0.222 4.118 4.340 -0.000 0.000 0.233 259 R C 1.997 178.407 176.300 0.183 0.000 1.137 259 R CA 1.873 58.071 56.100 0.163 0.000 0.945 259 R CB -1.020 29.388 30.300 0.180 0.000 0.845 259 R HN 0.422 nan 8.270 nan 0.000 0.430 260 W N 2.110 123.480 121.300 0.117 0.000 2.318 260 W HA -0.256 4.404 4.660 -0.000 0.000 0.313 260 W C 2.085 178.649 176.519 0.075 0.000 1.221 260 W CA 2.464 59.907 57.345 0.164 0.000 1.266 260 W CB -0.403 29.197 29.460 0.234 0.000 1.150 260 W HN 0.044 nan 8.180 nan 0.000 0.496 261 T N -0.780 114.000 114.554 0.377 0.000 2.674 261 T HA -0.273 4.077 4.350 -0.000 0.000 0.265 261 T C 1.900 176.569 174.700 -0.053 0.000 1.039 261 T CA 1.904 64.120 62.100 0.192 0.000 1.150 261 T CB -1.074 67.905 68.868 0.184 0.000 0.864 261 T HN 0.167 nan 8.240 nan 0.000 0.427 262 S N 0.540 116.234 115.700 -0.010 0.000 2.440 262 S HA -0.148 4.322 4.470 -0.000 0.000 0.240 262 S C 1.916 176.418 174.600 -0.163 0.000 1.014 262 S CA 1.295 59.462 58.200 -0.055 0.000 0.980 262 S CB -0.294 62.909 63.200 0.005 0.000 0.775 262 S HN 0.586 nan 8.310 nan 0.000 0.499 263 E N -0.266 119.787 120.200 -0.245 0.000 2.201 263 E HA 0.101 4.451 4.350 -0.000 0.000 0.193 263 E C 1.308 177.545 176.600 -0.605 0.000 0.957 263 E CA 0.619 56.807 56.400 -0.353 0.000 0.858 263 E CB 0.016 29.541 29.700 -0.291 0.000 0.816 263 E HN 0.454 nan 8.360 nan 0.000 0.475 264 N N 0.322 118.583 118.700 -0.732 0.000 2.294 264 N HA 0.038 4.778 4.740 -0.000 0.000 0.186 264 N C 1.301 176.509 175.510 -0.503 0.000 1.107 264 N CA 0.034 52.591 53.050 -0.821 0.000 0.884 264 N CB 0.297 38.179 38.487 -1.008 0.000 1.030 264 N HN -0.024 nan 8.380 nan 0.000 0.482 265 I N 1.187 121.519 120.570 -0.396 0.000 2.800 265 I HA -0.047 4.123 4.170 -0.000 0.000 0.266 265 I C 1.839 177.919 176.117 -0.061 0.000 1.249 265 I CA 0.569 61.765 61.300 -0.173 0.000 1.458 265 I CB -0.645 37.288 38.000 -0.113 0.000 1.093 265 I HN 0.183 nan 8.210 nan 0.000 0.466 266 G N -0.098 108.537 108.800 -0.276 0.000 2.402 266 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 266 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 266 G C 1.332 176.199 174.900 -0.054 0.000 1.162 266 G CA 0.504 45.461 45.100 -0.238 0.000 0.777 266 G HN 0.379 nan 8.290 nan 0.000 0.539 267 F N 0.140 120.147 119.950 0.095 0.000 2.494 267 F HA 0.184 4.711 4.527 -0.000 0.000 0.298 267 F C 1.586 177.361 175.800 -0.042 0.000 1.106 267 F CA -0.142 57.864 58.000 0.010 0.000 1.452 267 F CB -0.655 38.305 39.000 -0.067 0.000 1.085 267 F HN 0.137 nan 8.300 nan 0.000 0.569 268 F N -0.984 119.009 119.950 0.072 0.000 2.653 268 F HA 0.420 4.947 4.527 -0.000 0.000 0.304 268 F C 1.786 177.604 175.800 0.031 0.000 1.092 268 F CA 0.329 58.340 58.000 0.017 0.000 1.279 268 F CB 0.280 39.234 39.000 -0.077 0.000 1.044 268 F HN 0.032 nan 8.300 nan 0.000 0.564 269 G N 0.487 109.400 108.800 0.190 0.000 2.176 269 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.232 269 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.232 269 G C 0.603 175.555 174.900 0.087 0.000 0.986 269 G CA -0.343 44.827 45.100 0.116 0.000 0.643 269 G HN 0.662 nan 8.290 nan 0.000 0.522 270 G N -0.342 108.512 108.800 0.090 0.000 2.503 270 G HA2 0.456 4.416 3.960 -0.000 0.000 0.257 270 G HA3 0.456 4.416 3.960 -0.000 0.000 0.257 270 G C -0.602 174.297 174.900 -0.002 0.000 1.214 270 G CA 0.463 45.587 45.100 0.040 0.000 0.839 270 G HN 0.290 nan 8.290 nan 0.000 0.559 271 D N 1.257 121.652 120.400 -0.008 0.000 2.473 271 D HA 0.275 4.915 4.640 -0.000 0.000 0.226 271 D C -1.172 175.110 176.300 -0.029 0.000 1.089 271 D CA -2.403 51.582 54.000 -0.024 0.000 0.883 271 D CB 1.677 42.465 40.800 -0.020 0.000 1.029 271 D HN 0.082 nan 8.370 nan 0.000 0.517 272 P HA -0.076 nan 4.420 nan 0.000 0.236 272 P C 0.939 178.224 177.300 -0.025 0.000 1.172 272 P CA 0.463 63.537 63.100 -0.043 0.000 0.759 272 P CB 0.331 31.980 31.700 -0.085 0.000 0.843 273 L N -1.184 120.021 121.223 -0.030 0.000 2.640 273 L HA 0.222 4.562 4.340 -0.000 0.000 0.230 273 L C 1.256 178.109 176.870 -0.029 0.000 1.123 273 L CA 0.148 54.969 54.840 -0.032 0.000 0.900 273 L CB 0.098 42.133 42.059 -0.041 0.000 1.146 273 L HN -0.161 nan 8.230 nan 0.000 0.484 274 R N 0.565 121.054 120.500 -0.019 0.000 2.647 274 R HA 0.378 4.718 4.340 -0.000 0.000 0.295 274 R C -0.732 175.567 176.300 -0.002 0.000 1.267 274 R CA -0.160 55.923 56.100 -0.028 0.000 1.386 274 R CB 0.907 31.177 30.300 -0.051 0.000 1.309 274 R HN 0.104 nan 8.270 nan 0.000 0.692 275 I N 1.149 121.748 120.570 0.050 0.000 2.325 275 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 275 I C 0.122 176.324 176.117 0.142 0.000 1.019 275 I CA -0.104 61.252 61.300 0.094 0.000 1.302 275 I CB 1.787 39.872 38.000 0.141 0.000 1.401 275 I HN -0.005 nan 8.210 nan 0.000 0.485 276 T N 6.166 120.775 114.554 0.092 0.000 2.791 276 T HA 0.365 4.715 4.350 -0.000 0.000 0.288 276 T C -0.122 174.655 174.700 0.129 0.000 0.999 276 T CA -0.576 61.591 62.100 0.111 0.000 0.952 276 T CB 1.224 70.102 68.868 0.016 0.000 0.938 276 T HN 0.390 nan 8.240 nan 0.000 0.444 277 V N 2.830 122.795 119.914 0.085 0.000 2.432 277 V HA 0.867 4.987 4.120 -0.000 0.000 0.275 277 V C -0.442 175.771 176.094 0.198 0.000 1.043 277 V CA -0.979 61.337 62.300 0.027 0.000 0.925 277 V CB -0.104 31.482 31.823 -0.395 0.000 0.985 277 V HN 0.808 nan 8.190 nan 0.000 0.466 278 F N 1.911 121.841 119.950 -0.033 0.000 2.613 278 F HA 1.070 5.597 4.527 -0.000 0.000 0.314 278 F C 0.069 175.822 175.800 -0.078 0.000 1.075 278 F CA -0.476 57.542 58.000 0.029 0.000 0.945 278 F CB 2.168 41.285 39.000 0.194 0.000 1.310 278 F HN 0.945 nan 8.300 nan 0.000 0.467 279 G N 0.284 108.986 108.800 -0.163 0.000 2.576 279 G HA2 0.468 4.428 3.960 -0.000 0.000 0.290 279 G HA3 0.468 4.428 3.960 -0.000 0.000 0.290 279 G C -2.294 172.570 174.900 -0.061 0.000 1.442 279 G CA -0.859 43.936 45.100 -0.507 0.000 0.792 279 G HN 0.817 nan 8.290 nan 0.000 0.491 280 S N -0.863 114.822 115.700 -0.026 0.000 2.503 280 S HA 0.717 5.187 4.470 -0.000 0.000 0.301 280 S C 1.095 175.761 174.600 0.110 0.000 1.087 280 S CA 1.253 59.547 58.200 0.157 0.000 1.042 280 S CB 0.847 64.220 63.200 0.288 0.000 1.043 280 S HN 2.587 nan 8.310 nan 0.000 0.489 281 G N 3.594 112.542 108.800 0.246 0.000 2.651 281 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.315 281 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.315 281 G C 1.260 176.174 174.900 0.023 0.000 1.258 281 G CA 0.656 45.930 45.100 0.290 0.000 1.002 281 G HN 1.792 nan 8.290 nan 0.000 0.551 282 A N -0.367 122.369 122.820 -0.140 0.000 1.997 282 A HA 0.065 4.385 4.320 -0.000 0.000 0.221 282 A C 2.971 180.387 177.584 -0.281 0.000 1.172 282 A CA 3.122 54.923 52.037 -0.392 0.000 0.645 282 A CB -1.249 17.353 19.000 -0.663 0.000 0.813 282 A HN 2.197 nan 8.150 nan 0.000 0.454 283 G N -0.733 107.928 108.800 -0.231 0.000 2.414 283 G HA2 0.042 4.002 3.960 -0.000 0.000 0.215 283 G HA3 0.042 4.002 3.960 -0.000 0.000 0.215 283 G C 1.551 176.319 174.900 -0.219 0.000 1.188 283 G CA 1.100 46.031 45.100 -0.282 0.000 0.783 283 G HN 0.801 nan 8.290 nan 0.000 0.537 284 G N 0.287 109.008 108.800 -0.133 0.000 2.501 284 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.220 284 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.220 284 G C 2.000 176.860 174.900 -0.066 0.000 1.114 284 G CA 1.370 46.425 45.100 -0.075 0.000 0.757 284 G HN 0.427 nan 8.290 nan 0.000 0.559 285 S N -0.474 115.189 115.700 -0.062 0.000 2.371 285 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 285 S C 2.488 177.067 174.600 -0.035 0.000 1.029 285 S CA 0.982 59.166 58.200 -0.028 0.000 0.978 285 S CB -0.328 62.877 63.200 0.007 0.000 0.833 285 S HN 0.561 nan 8.310 nan 0.000 0.466 286 C N 1.155 120.416 119.300 -0.064 0.000 2.436 286 C HA -0.015 4.445 4.460 -0.000 0.000 0.277 286 C C 2.621 177.530 174.990 -0.136 0.000 1.241 286 C CA 0.323 59.280 59.018 -0.102 0.000 1.721 286 C CB -1.383 26.241 27.740 -0.195 0.000 2.043 286 C HN 0.391 nan 8.230 nan 0.000 0.472 287 V N 1.546 121.360 119.914 -0.166 0.000 2.250 287 V HA -0.347 3.773 4.120 -0.000 0.000 0.253 287 V C 2.059 178.088 176.094 -0.108 0.000 1.065 287 V CA 2.671 64.871 62.300 -0.168 0.000 1.039 287 V CB -0.978 30.764 31.823 -0.135 0.000 0.647 287 V HN 0.594 nan 8.190 nan 0.000 0.446 288 N N -0.514 118.136 118.700 -0.083 0.000 2.084 288 N HA -0.102 4.638 4.740 -0.000 0.000 0.190 288 N C 1.763 177.245 175.510 -0.048 0.000 1.030 288 N CA 1.172 54.184 53.050 -0.063 0.000 0.849 288 N CB -0.205 38.249 38.487 -0.056 0.000 1.012 288 N HN 0.376 nan 8.380 nan 0.000 0.423 289 L N 0.629 121.824 121.223 -0.047 0.000 2.083 289 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 289 L C 2.015 178.880 176.870 -0.010 0.000 1.083 289 L CA 0.726 55.544 54.840 -0.037 0.000 0.752 289 L CB -0.375 41.651 42.059 -0.055 0.000 0.899 289 L HN 0.272 nan 8.230 nan 0.000 0.433 290 L N -0.316 120.899 121.223 -0.013 0.000 2.079 290 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 290 L C 2.621 179.595 176.870 0.173 0.000 1.081 290 L CA 1.922 56.797 54.840 0.058 0.000 0.752 290 L CB -0.921 41.132 42.059 -0.009 0.000 0.896 290 L HN 0.485 nan 8.230 nan 0.000 0.433 291 T N -3.288 111.329 114.554 0.106 0.000 3.118 291 T HA 0.021 4.371 4.350 -0.000 0.000 0.260 291 T C 1.533 176.318 174.700 0.141 0.000 1.139 291 T CA 0.423 62.555 62.100 0.053 0.000 1.085 291 T CB -0.068 68.658 68.868 -0.236 0.000 0.934 291 T HN 0.259 nan 8.240 nan 0.000 0.518 292 L N 0.360 121.645 121.223 0.102 0.000 2.556 292 L HA 0.332 4.672 4.340 -0.000 0.000 0.226 292 L C 1.344 178.291 176.870 0.129 0.000 1.089 292 L CA -0.226 54.682 54.840 0.113 0.000 0.864 292 L CB 0.212 42.299 42.059 0.046 0.000 1.067 292 L HN 0.179 nan 8.230 nan 0.000 0.477 293 S N -0.619 115.155 115.700 0.124 0.000 2.537 293 S HA 0.074 4.544 4.470 -0.000 0.000 0.275 293 S C 1.105 175.821 174.600 0.192 0.000 1.272 293 S CA -0.486 57.786 58.200 0.120 0.000 1.050 293 S CB 0.708 63.936 63.200 0.046 0.000 0.961 293 S HN 0.507 nan 8.310 nan 0.000 0.496 294 H N 3.621 122.823 119.070 0.220 0.000 2.546 294 H HA 0.049 4.605 4.556 -0.000 0.000 0.277 294 H C 0.767 176.211 175.328 0.194 0.000 1.004 294 H CA 1.374 57.528 56.048 0.177 0.000 1.231 294 H CB -0.398 29.440 29.762 0.127 0.000 1.382 294 H HN 0.699 nan 8.280 nan 0.000 0.580 295 Y N 0.987 121.070 120.300 -0.361 0.000 2.574 295 Y HA 0.083 4.633 4.550 -0.000 0.000 0.294 295 Y C 0.741 176.640 175.900 -0.000 0.000 1.142 295 Y CA 0.542 58.506 58.100 -0.228 0.000 1.314 295 Y CB 0.165 38.489 38.460 -0.226 0.000 0.991 295 Y HN 0.163 nan 8.280 nan 0.000 0.555 296 S N 2.139 117.961 115.700 0.203 0.000 2.592 296 S HA 0.107 4.577 4.470 -0.000 0.000 0.305 296 S C 0.218 174.899 174.600 0.136 0.000 1.118 296 S CA -0.852 57.488 58.200 0.233 0.000 1.075 296 S CB -0.086 63.331 63.200 0.361 0.000 1.107 296 S HN 0.273 nan 8.310 nan 0.000 0.503 307 G N 2.391 111.092 108.800 -0.165 0.000 2.268 307 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.240 307 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.240 307 G C 0.640 175.510 174.900 -0.051 0.000 1.010 307 G CA 0.299 45.336 45.100 -0.106 0.000 0.618 307 G HN 0.586 nan 8.290 nan 0.000 0.516 308 L N 1.026 122.237 121.223 -0.021 0.000 1.944 308 L HA 0.310 4.650 4.340 -0.000 0.000 0.218 308 L C 1.277 178.273 176.870 0.210 0.000 1.075 308 L CA 2.772 57.679 54.840 0.111 0.000 0.767 308 L CB -0.788 41.398 42.059 0.213 0.000 0.890 308 L HN 0.787 nan 8.230 nan 0.000 0.434 309 F N -3.434 116.577 119.950 0.101 0.000 2.577 309 F HA 0.619 5.146 4.527 -0.000 0.000 0.318 309 F C 0.655 176.544 175.800 0.149 0.000 1.065 309 F CA -0.894 57.174 58.000 0.114 0.000 0.929 309 F CB 1.041 40.122 39.000 0.135 0.000 1.237 309 F HN -0.123 nan 8.300 nan 0.000 0.468 310 Q N 0.882 120.806 119.800 0.206 0.000 2.396 310 Q HA 0.353 4.693 4.340 -0.000 0.000 0.220 310 Q C -0.254 175.873 176.000 0.210 0.000 0.900 310 Q CA 0.734 56.583 55.803 0.076 0.000 0.925 310 Q CB 0.393 29.125 28.738 -0.010 0.000 1.065 310 Q HN 0.677 nan 8.270 nan 0.000 0.535 311 R N -0.692 119.989 120.500 0.302 0.000 2.867 311 R HA 0.881 5.221 4.340 -0.000 0.000 0.268 311 R C -1.297 175.232 176.300 0.381 0.000 1.014 311 R CA -0.890 55.367 56.100 0.262 0.000 0.946 311 R CB 1.861 32.111 30.300 -0.083 0.000 1.208 311 R HN -0.008 nan 8.270 nan 0.000 0.477 312 A N 1.460 124.481 122.820 0.334 0.000 2.520 312 A HA 0.659 4.979 4.320 -0.000 0.000 0.298 312 A C -1.130 176.523 177.584 0.115 0.000 1.051 312 A CA -0.683 51.473 52.037 0.198 0.000 0.690 312 A CB 1.255 20.299 19.000 0.074 0.000 1.281 312 A HN 0.621 nan 8.150 nan 0.000 0.402 313 I N 1.948 122.566 120.570 0.080 0.000 2.439 313 I HA 0.514 4.684 4.170 -0.000 0.000 0.283 313 I C 0.283 176.440 176.117 0.067 0.000 1.023 313 I CA -0.449 60.835 61.300 -0.027 0.000 1.100 313 I CB 1.950 39.920 38.000 -0.050 0.000 1.238 313 I HN 0.740 nan 8.210 nan 0.000 0.445 314 A N 6.599 129.419 122.820 -0.000 0.000 2.412 314 A HA 0.523 4.843 4.320 -0.000 0.000 0.334 314 A C -0.321 177.308 177.584 0.074 0.000 1.419 314 A CA -0.491 51.557 52.037 0.019 0.000 0.930 314 A CB 0.224 19.196 19.000 -0.047 0.000 1.149 314 A HN 0.720 nan 8.150 nan 0.000 0.515 315 Q N 1.594 121.507 119.800 0.188 0.000 2.314 315 Q HA 0.420 4.760 4.340 -0.000 0.000 0.257 315 Q C 0.015 176.136 176.000 0.202 0.000 0.975 315 Q CA -0.329 55.639 55.803 0.274 0.000 0.933 315 Q CB 0.834 29.802 28.738 0.383 0.000 1.195 315 Q HN 0.782 nan 8.270 nan 0.000 0.426 316 S N 1.309 117.087 115.700 0.129 0.000 3.524 316 S HA -0.131 4.339 4.470 -0.000 0.000 0.377 316 S C -0.008 174.778 174.600 0.311 0.000 0.949 316 S CA 0.463 58.774 58.200 0.185 0.000 1.264 316 S CB -1.245 62.068 63.200 0.187 0.000 0.918 316 S HN 1.009 nan 8.310 nan 0.000 0.517 317 G N -0.082 108.834 108.800 0.193 0.000 2.503 317 G HA2 0.585 4.545 3.960 -0.000 0.000 0.305 317 G HA3 0.585 4.545 3.960 -0.000 0.000 0.305 317 G C -0.794 174.123 174.900 0.029 0.000 1.575 317 G CA 0.148 45.328 45.100 0.133 0.000 0.890 317 G HN 0.881 nan 8.290 nan 0.000 0.612 318 T N -1.566 112.983 114.554 -0.009 0.000 0.000 318 T HA 0.743 5.093 4.350 -0.000 0.000 0.000 318 T C 0.927 175.601 174.700 -0.045 0.000 0.000 318 T CA 0.218 62.292 62.100 -0.043 0.000 0.000 318 T CB 1.626 70.452 68.868 -0.070 0.000 0.000 318 T HN 1.675 nan 8.240 nan 0.000 0.000 319 A N -0.400 122.389 122.820 -0.052 0.000 2.308 319 A HA 0.469 4.789 4.320 -0.000 0.000 0.217 319 A C 1.686 179.237 177.584 -0.055 0.000 1.216 319 A CA -0.083 51.928 52.037 -0.043 0.000 0.864 319 A CB -0.728 18.245 19.000 -0.045 0.000 0.902 319 A HN 0.714 nan 8.150 nan 0.000 0.499 320 L N 0.428 121.596 121.223 -0.092 0.000 2.554 320 L HA 0.076 4.416 4.340 -0.000 0.000 0.225 320 L C 1.136 177.869 176.870 -0.229 0.000 1.104 320 L CA 0.204 54.967 54.840 -0.128 0.000 0.866 320 L CB -0.094 41.890 42.059 -0.126 0.000 1.047 320 L HN 0.424 nan 8.230 nan 0.000 0.468 321 S N -0.484 115.038 115.700 -0.296 0.000 2.584 321 S HA -0.002 4.468 4.470 -0.000 0.000 0.270 321 S C 1.464 175.741 174.600 -0.538 0.000 1.346 321 S CA -0.051 57.815 58.200 -0.558 0.000 1.018 321 S CB 1.213 63.985 63.200 -0.715 0.000 0.899 321 S HN 0.316 nan 8.310 nan 0.000 0.542 322 S N 0.211 115.423 115.700 -0.815 0.000 2.419 322 S HA -0.137 4.333 4.470 -0.000 0.000 0.235 322 S C 1.008 175.339 174.600 -0.447 0.000 1.019 322 S CA 0.950 58.735 58.200 -0.692 0.000 0.982 322 S CB -0.833 61.801 63.200 -0.943 0.000 0.789 322 S HN 1.021 nan 8.310 nan 0.000 0.490 323 W N 0.720 121.832 121.300 -0.312 0.000 3.194 323 W HA 0.851 5.511 4.660 -0.000 0.000 0.408 323 W C 1.312 177.787 176.519 -0.073 0.000 1.072 323 W CA -1.270 55.962 57.345 -0.188 0.000 1.953 323 W CB -0.763 28.567 29.460 -0.217 0.000 1.091 323 W HN 0.244 nan 8.180 nan 0.000 0.699 324 A N 0.139 123.083 122.820 0.207 0.000 2.081 324 A HA 0.422 4.742 4.320 -0.000 0.000 0.214 324 A C 0.461 178.104 177.584 0.097 0.000 1.158 324 A CA 0.840 52.999 52.037 0.203 0.000 0.724 324 A CB 0.023 19.065 19.000 0.070 0.000 0.826 324 A HN 0.052 nan 8.150 nan 0.000 0.463 325 V N -0.882 119.030 119.914 -0.003 0.000 3.007 325 V HA 0.518 4.638 4.120 -0.000 0.000 0.311 325 V C -0.404 175.501 176.094 -0.315 0.000 1.120 325 V CA -0.651 61.472 62.300 -0.296 0.000 0.980 325 V CB 1.960 33.438 31.823 -0.576 0.000 1.033 325 V HN 0.152 nan 8.190 nan 0.000 0.429 326 S N 1.365 116.822 115.700 -0.405 0.000 2.429 326 S HA 0.586 5.056 4.470 -0.000 0.000 0.302 326 S C -0.126 174.283 174.600 -0.319 0.000 1.115 326 S CA -0.385 57.704 58.200 -0.185 0.000 1.095 326 S CB 0.260 63.395 63.200 -0.108 0.000 0.987 326 S HN 0.474 nan 8.310 nan 0.000 0.474 327 F N 2.456 122.430 119.950 0.040 0.000 2.695 327 F HA 0.363 4.890 4.527 -0.000 0.000 0.303 327 F C 1.262 177.071 175.800 0.016 0.000 1.091 327 F CA -0.241 57.770 58.000 0.019 0.000 1.300 327 F CB 0.337 39.344 39.000 0.011 0.000 1.071 327 F HN 0.518 nan 8.300 nan 0.000 0.578 328 Q N 1.134 121.045 119.800 0.185 0.000 2.928 328 Q HA 0.169 4.509 4.340 -0.000 0.000 0.353 328 Q C -1.839 174.213 176.000 0.087 0.000 0.870 328 Q CA -1.420 54.431 55.803 0.080 0.000 0.963 328 Q CB 1.029 29.766 28.738 -0.002 0.000 1.419 328 Q HN 0.019 nan 8.270 nan 0.000 0.396 329 P HA -0.182 nan 4.420 nan 0.000 0.219 329 P C 0.891 178.240 177.300 0.082 0.000 1.150 329 P CA 1.171 64.321 63.100 0.084 0.000 0.814 329 P CB 0.502 32.230 31.700 0.047 0.000 0.787 330 A N 1.205 124.041 122.820 0.026 0.000 1.840 330 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 330 A C 2.468 180.032 177.584 -0.033 0.000 1.198 330 A CA 2.007 54.048 52.037 0.007 0.000 0.608 330 A CB -1.380 17.612 19.000 -0.013 0.000 0.839 330 A HN 0.129 nan 8.150 nan 0.000 0.443 331 K N -1.375 118.947 120.400 -0.131 0.000 2.052 331 K HA -0.266 4.054 4.320 -0.000 0.000 0.215 331 K C 1.702 178.132 176.600 -0.283 0.000 1.053 331 K CA 2.424 58.545 56.287 -0.276 0.000 0.934 331 K CB -0.486 31.716 32.500 -0.496 0.000 0.717 331 K HN 0.507 nan 8.250 nan 0.000 0.450 332 Y N -0.145 120.109 120.300 -0.077 0.000 2.561 332 Y HA 0.097 4.647 4.550 -0.000 0.000 0.291 332 Y C 2.161 178.084 175.900 0.038 0.000 1.141 332 Y CA 0.546 58.562 58.100 -0.140 0.000 1.303 332 Y CB -0.241 37.952 38.460 -0.444 0.000 1.015 332 Y HN 0.248 nan 8.280 nan 0.000 0.547 333 A N 0.351 123.309 122.820 0.229 0.000 1.874 333 A HA -0.097 4.223 4.320 -0.000 0.000 0.214 333 A C 2.269 179.963 177.584 0.183 0.000 1.189 333 A CA 1.001 53.218 52.037 0.300 0.000 0.615 333 A CB -0.348 18.766 19.000 0.189 0.000 0.830 333 A HN 0.314 nan 8.150 nan 0.000 0.443 334 R N -0.413 120.143 120.500 0.093 0.000 2.115 334 R HA 0.024 4.364 4.340 -0.000 0.000 0.230 334 R C 1.867 178.210 176.300 0.071 0.000 1.111 334 R CA 1.366 57.499 56.100 0.055 0.000 0.976 334 R CB -0.415 29.891 30.300 0.011 0.000 0.870 334 R HN 0.540 nan 8.270 nan 0.000 0.445 335 I N 0.934 121.556 120.570 0.087 0.000 2.394 335 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 335 I C 2.328 178.536 176.117 0.151 0.000 1.136 335 I CA 0.745 62.106 61.300 0.102 0.000 1.425 335 I CB -0.182 37.886 38.000 0.113 0.000 1.079 335 I HN 0.239 nan 8.210 nan 0.000 0.425 336 L N 1.039 122.395 121.223 0.222 0.000 2.179 336 L HA -0.052 4.287 4.340 -0.000 0.000 0.208 336 L C 2.596 179.550 176.870 0.140 0.000 1.096 336 L CA 1.875 56.855 54.840 0.233 0.000 0.779 336 L CB -0.806 41.465 42.059 0.354 0.000 0.922 336 L HN 0.161 nan 8.230 nan 0.000 0.443 337 A N -0.254 122.635 122.820 0.115 0.000 1.855 337 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 337 A C 2.212 179.831 177.584 0.058 0.000 1.191 337 A CA 2.268 54.347 52.037 0.070 0.000 0.613 337 A CB -1.172 17.857 19.000 0.048 0.000 0.829 337 A HN 0.444 nan 8.150 nan 0.000 0.442 338 T N 0.163 114.751 114.554 0.056 0.000 2.665 338 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 338 T C 1.831 176.560 174.700 0.048 0.000 1.035 338 T CA 1.884 64.011 62.100 0.044 0.000 1.151 338 T CB -0.291 68.601 68.868 0.039 0.000 0.862 338 T HN 0.513 nan 8.240 nan 0.000 0.438 339 K N 0.922 121.360 120.400 0.064 0.000 2.360 339 K HA -0.021 4.299 4.320 -0.000 0.000 0.201 339 K C 1.645 178.277 176.600 0.053 0.000 1.046 339 K CA 0.999 57.324 56.287 0.062 0.000 0.945 339 K CB -0.008 32.541 32.500 0.081 0.000 0.750 339 K HN 0.420 nan 8.250 nan 0.000 0.464 340 V N -3.286 116.659 119.914 0.052 0.000 3.085 340 V HA 0.396 4.516 4.120 -0.000 0.000 0.345 340 V C 0.273 176.387 176.094 0.033 0.000 1.397 340 V CA -0.215 62.110 62.300 0.042 0.000 1.165 340 V CB -0.029 31.822 31.823 0.048 0.000 1.153 340 V HN 0.226 nan 8.190 nan 0.000 0.495 341 G N -0.187 108.632 108.800 0.032 0.000 2.392 341 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.256 341 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.256 341 G C 0.081 174.995 174.900 0.023 0.000 0.920 341 G CA 0.248 45.363 45.100 0.024 0.000 1.316 341 G HN 0.949 nan 8.290 nan 0.000 0.416 342 c N 0.899 119.514 118.600 0.024 0.000 4.480 342 c HA 0.128 4.698 4.570 -0.000 0.000 0.353 342 c C 1.162 175.261 174.090 0.016 0.000 2.012 342 c CA -0.531 55.810 56.329 0.019 0.000 1.666 342 c CB -0.525 41.999 42.510 0.023 0.000 2.739 342 c HN 0.852 nan 8.230 nan 0.000 0.571 343 N N 2.702 121.413 118.700 0.019 0.000 2.921 343 N HA 0.084 4.824 4.740 -0.000 0.000 0.325 343 N C 0.422 175.936 175.510 0.007 0.000 1.194 343 N CA 0.351 53.410 53.050 0.014 0.000 1.184 343 N CB -0.077 38.419 38.487 0.016 0.000 1.433 343 N HN 0.602 nan 8.380 nan 0.000 0.539 344 V N -1.252 118.664 119.914 0.005 0.000 3.133 344 V HA 0.196 4.316 4.120 -0.000 0.000 0.305 344 V C 1.364 177.458 176.094 -0.000 0.000 1.084 344 V CA -0.298 62.003 62.300 0.002 0.000 1.089 344 V CB 1.099 32.922 31.823 0.001 0.000 1.073 344 V HN 0.242 nan 8.190 nan 0.000 0.477 345 S N 0.211 115.911 115.700 -0.001 0.000 2.453 345 S HA -0.013 4.457 4.470 -0.000 0.000 0.231 345 S C 0.572 175.171 174.600 -0.003 0.000 1.005 345 S CA 1.114 59.313 58.200 -0.002 0.000 0.949 345 S CB -0.409 62.790 63.200 -0.002 0.000 0.774 345 S HN 1.009 nan 8.310 nan 0.000 0.510 346 D N 0.844 121.242 120.400 -0.003 0.000 2.233 346 D HA 0.278 4.918 4.640 -0.000 0.000 0.240 346 D C 1.340 177.636 176.300 -0.008 0.000 1.074 346 D CA -0.054 53.944 54.000 -0.004 0.000 0.838 346 D CB 1.438 42.237 40.800 -0.002 0.000 1.124 346 D HN 0.107 nan 8.370 nan 0.000 0.475 347 T N 0.702 115.250 114.554 -0.009 0.000 2.580 347 T HA -0.221 4.129 4.350 -0.000 0.000 0.265 347 T C 2.038 176.724 174.700 -0.023 0.000 1.063 347 T CA 1.556 63.646 62.100 -0.016 0.000 1.170 347 T CB -0.855 68.005 68.868 -0.013 0.000 0.863 347 T HN 0.227 nan 8.240 nan 0.000 0.418 348 V N 2.311 122.217 119.914 -0.014 0.000 2.370 348 V HA -0.257 3.863 4.120 -0.000 0.000 0.252 348 V C 2.805 178.890 176.094 -0.015 0.000 1.068 348 V CA 2.350 64.642 62.300 -0.013 0.000 1.061 348 V CB -0.919 30.903 31.823 -0.002 0.000 0.656 348 V HN 0.610 nan 8.190 nan 0.000 0.455 349 E N -0.477 119.716 120.200 -0.011 0.000 2.072 349 E HA -0.141 4.208 4.350 -0.000 0.000 0.190 349 E C 2.233 178.825 176.600 -0.014 0.000 0.982 349 E CA 1.012 57.407 56.400 -0.008 0.000 0.803 349 E CB -0.145 29.552 29.700 -0.004 0.000 0.755 349 E HN 0.536 nan 8.360 nan 0.000 0.453 350 L N 0.885 122.096 121.223 -0.021 0.000 2.042 350 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 350 L C 2.287 179.122 176.870 -0.058 0.000 1.076 350 L CA 0.907 55.730 54.840 -0.028 0.000 0.749 350 L CB -0.038 42.004 42.059 -0.027 0.000 0.893 350 L HN 0.031 nan 8.230 nan 0.000 0.432 351 V N -0.056 119.805 119.914 -0.087 0.000 2.307 351 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 351 V C 2.332 178.387 176.094 -0.065 0.000 1.045 351 V CA 2.090 64.295 62.300 -0.159 0.000 1.024 351 V CB -0.557 31.174 31.823 -0.152 0.000 0.651 351 V HN 0.488 nan 8.190 nan 0.000 0.449 352 E N -0.948 119.240 120.200 -0.020 0.000 2.118 352 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 352 E C 2.271 178.886 176.600 0.024 0.000 0.992 352 E CA 1.589 57.997 56.400 0.013 0.000 0.804 352 E CB -0.409 29.295 29.700 0.007 0.000 0.741 352 E HN 0.644 nan 8.360 nan 0.000 0.458 353 c N 0.779 119.386 118.600 0.012 0.000 2.413 353 c HA -0.160 4.410 4.570 -0.000 0.000 0.277 353 c C 2.539 176.655 174.090 0.043 0.000 1.228 353 c CA 0.864 57.205 56.329 0.020 0.000 1.731 353 c CB -0.961 41.556 42.510 0.011 0.000 2.042 353 c HN 0.376 nan 8.230 nan 0.000 0.468 354 L N -0.114 121.140 121.223 0.051 0.000 2.141 354 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 354 L C 2.654 179.648 176.870 0.208 0.000 1.094 354 L CA 1.249 56.160 54.840 0.118 0.000 0.763 354 L CB -0.846 41.275 42.059 0.102 0.000 0.908 354 L HN 0.446 nan 8.230 nan 0.000 0.437 355 Q N -0.138 119.784 119.800 0.205 0.000 2.561 355 Q HA -0.151 4.189 4.340 -0.000 0.000 0.217 355 Q C 1.605 177.662 176.000 0.094 0.000 0.980 355 Q CA 0.748 56.675 55.803 0.206 0.000 0.927 355 Q CB 0.236 29.070 28.738 0.159 0.000 0.980 355 Q HN 0.380 nan 8.270 nan 0.000 0.525 356 K N 0.028 120.473 120.400 0.075 0.000 2.273 356 K HA 0.098 4.418 4.320 -0.000 0.000 0.206 356 K C 0.411 177.031 176.600 0.034 0.000 1.072 356 K CA 0.198 56.509 56.287 0.040 0.000 0.953 356 K CB 0.112 32.629 32.500 0.028 0.000 1.043 356 K HN -0.048 nan 8.250 nan 0.000 0.477 357 K N 2.467 122.892 120.400 0.041 0.000 2.600 357 K HA -0.064 4.256 4.320 -0.000 0.000 0.280 357 K C -2.412 174.196 176.600 0.013 0.000 0.971 357 K CA -0.568 55.735 56.287 0.026 0.000 1.053 357 K CB -0.811 31.714 32.500 0.042 0.000 0.856 357 K HN 0.016 nan 8.250 nan 0.000 0.495 358 P HA -0.072 nan 4.420 nan 0.000 0.264 358 P C 0.539 177.793 177.300 -0.076 0.000 1.193 358 P CA 0.079 63.126 63.100 -0.088 0.000 0.763 358 P CB 0.079 31.691 31.700 -0.147 0.000 0.810 359 Y N 3.957 124.237 120.300 -0.034 0.000 2.181 359 Y HA -0.279 4.271 4.550 -0.000 0.000 0.284 359 Y C 1.860 177.741 175.900 -0.033 0.000 1.179 359 Y CA 1.800 59.870 58.100 -0.050 0.000 1.179 359 Y CB -1.008 37.410 38.460 -0.070 0.000 0.973 359 Y HN 0.119 nan 8.280 nan 0.000 0.519 360 K N 1.084 121.250 120.400 -0.391 0.000 2.365 360 K HA -0.121 4.199 4.320 -0.000 0.000 0.199 360 K C 2.026 178.585 176.600 -0.068 0.000 1.045 360 K CA 1.338 57.508 56.287 -0.196 0.000 0.962 360 K CB -0.312 31.944 32.500 -0.406 0.000 0.759 360 K HN 0.721 nan 8.250 nan 0.000 0.469 361 E N -0.322 119.839 120.200 -0.066 0.000 2.122 361 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 361 E C 1.578 178.190 176.600 0.021 0.000 0.977 361 E CA 0.581 56.969 56.400 -0.020 0.000 0.820 361 E CB 0.048 29.734 29.700 -0.023 0.000 0.770 361 E HN 0.280 nan 8.360 nan 0.000 0.462 362 L N 0.404 121.650 121.223 0.038 0.000 2.072 362 L HA -0.078 4.262 4.340 -0.000 0.000 0.205 362 L C 2.393 179.290 176.870 0.047 0.000 1.079 362 L CA 0.488 55.359 54.840 0.051 0.000 0.752 362 L CB -0.148 41.948 42.059 0.062 0.000 0.906 362 L HN 0.064 nan 8.230 nan 0.000 0.436 363 V N -0.611 119.340 119.914 0.061 0.000 3.078 363 V HA -0.193 3.927 4.120 -0.000 0.000 0.265 363 V C 1.328 177.463 176.094 0.068 0.000 1.122 363 V CA 1.377 63.717 62.300 0.067 0.000 1.141 363 V CB -0.459 31.429 31.823 0.108 0.000 0.735 363 V HN 0.401 nan 8.190 nan 0.000 0.498 364 D N -1.445 118.989 120.400 0.058 0.000 2.369 364 D HA 0.094 4.734 4.640 -0.000 0.000 0.211 364 D C 1.355 177.690 176.300 0.059 0.000 1.077 364 D CA 0.006 54.038 54.000 0.053 0.000 0.842 364 D CB 0.390 41.211 40.800 0.035 0.000 0.947 364 D HN 0.372 nan 8.370 nan 0.000 0.509 365 Q N 0.500 120.342 119.800 0.071 0.000 2.837 365 Q HA 0.077 4.417 4.340 -0.000 0.000 0.187 365 Q C 0.012 176.069 176.000 0.096 0.000 1.175 365 Q CA 0.590 56.443 55.803 0.084 0.000 1.271 365 Q CB 0.245 29.047 28.738 0.106 0.000 1.349 365 Q HN -0.049 nan 8.270 nan 0.000 0.694 366 D N -0.356 120.110 120.400 0.111 0.000 2.823 366 D HA 0.226 4.866 4.640 -0.000 0.000 0.255 366 D C -1.642 174.730 176.300 0.120 0.000 1.257 366 D CA -0.111 53.952 54.000 0.105 0.000 0.803 366 D CB 0.307 41.152 40.800 0.075 0.000 1.384 366 D HN 0.062 nan 8.370 nan 0.000 0.541 367 V N 2.868 122.882 119.914 0.165 0.000 2.408 367 V HA 0.328 4.448 4.120 -0.000 0.000 0.267 367 V C 0.295 176.418 176.094 0.048 0.000 1.047 367 V CA -0.365 62.029 62.300 0.156 0.000 0.937 367 V CB 1.256 33.233 31.823 0.256 0.000 0.999 367 V HN 0.282 nan 8.190 nan 0.000 0.472 368 Q N 6.694 126.522 119.800 0.047 0.000 2.290 368 Q HA 0.476 4.816 4.340 -0.000 0.000 0.259 368 Q C -2.313 173.657 176.000 -0.050 0.000 0.941 368 Q CA -1.687 54.112 55.803 -0.005 0.000 0.912 368 Q CB 2.308 31.066 28.738 0.033 0.000 1.244 368 Q HN 0.541 nan 8.270 nan 0.000 0.441 369 P HA 0.389 nan 4.420 nan 0.000 0.285 369 P C -0.977 176.298 177.300 -0.043 0.000 1.269 369 P CA -0.608 62.325 63.100 -0.278 0.000 0.844 369 P CB 1.088 32.540 31.700 -0.413 0.000 1.094 370 A N 2.467 125.295 122.820 0.013 0.000 2.531 370 A HA 0.052 4.372 4.320 -0.000 0.000 0.236 370 A C 0.735 178.302 177.584 -0.028 0.000 1.062 370 A CA -0.070 51.936 52.037 -0.052 0.000 0.760 370 A CB -0.399 18.489 19.000 -0.186 0.000 0.995 370 A HN 0.575 nan 8.150 nan 0.000 0.501 371 R N 0.762 121.181 120.500 -0.134 0.000 2.638 371 R HA 0.088 4.428 4.340 -0.000 0.000 0.268 371 R C -0.579 175.604 176.300 -0.196 0.000 1.006 371 R CA 0.799 56.718 56.100 -0.302 0.000 1.088 371 R CB -0.153 29.761 30.300 -0.644 0.000 0.950 371 R HN 0.819 nan 8.270 nan 0.000 0.419 372 Y N -1.288 119.162 120.300 0.251 0.000 4.490 372 Y HA -0.289 4.261 4.550 -0.000 0.000 0.233 372 Y C -0.601 175.334 175.900 0.058 0.000 1.101 372 Y CA 0.789 59.024 58.100 0.225 0.000 2.010 372 Y CB -2.717 35.702 38.460 -0.068 0.000 1.622 372 Y HN 0.723 nan 8.280 nan 0.000 0.675 373 H N -0.999 118.191 119.070 0.199 0.000 2.949 373 H HA 0.824 5.380 4.556 -0.000 0.000 0.356 373 H C 0.208 175.580 175.328 0.072 0.000 1.212 373 H CA -0.697 55.430 56.048 0.133 0.000 1.136 373 H CB 1.414 31.206 29.762 0.050 0.000 1.869 373 H HN 0.111 nan 8.280 nan 0.000 0.556 374 I N -0.981 119.689 120.570 0.166 0.000 2.648 374 I HA 0.731 4.901 4.170 -0.000 0.000 0.304 374 I C 0.461 176.439 176.117 -0.231 0.000 1.009 374 I CA -0.942 60.359 61.300 0.001 0.000 1.114 374 I CB 2.261 40.308 38.000 0.078 0.000 1.293 374 I HN 0.631 nan 8.210 nan 0.000 0.449 375 A N 4.202 126.759 122.820 -0.438 0.000 1.862 375 A HA 0.374 4.694 4.320 -0.000 0.000 0.211 375 A C 0.460 177.576 177.584 -0.780 0.000 1.220 375 A CA 0.821 52.267 52.037 -0.985 0.000 0.616 375 A CB -0.242 18.157 19.000 -1.001 0.000 0.878 375 A HN 0.620 nan 8.150 nan 0.000 0.453 376 F N -1.257 118.654 119.950 -0.064 0.000 2.482 376 F HA 0.657 5.183 4.527 -0.000 0.000 0.331 376 F C 0.663 176.405 175.800 -0.098 0.000 1.115 376 F CA -0.015 58.001 58.000 0.026 0.000 0.955 376 F CB 2.026 41.109 39.000 0.138 0.000 1.136 376 F HN 0.442 nan 8.300 nan 0.000 0.452 377 G N 2.393 111.136 108.800 -0.094 0.000 2.325 377 G HA2 0.392 4.352 3.960 -0.000 0.000 0.295 377 G HA3 0.392 4.352 3.960 -0.000 0.000 0.295 377 G C -3.402 171.012 174.900 -0.809 0.000 1.274 377 G CA -1.010 43.483 45.100 -1.013 0.000 0.857 377 G HN 0.231 nan 8.290 nan 0.000 0.499 378 P HA 0.356 nan 4.420 nan 0.000 0.266 378 P C -0.167 176.926 177.300 -0.345 0.000 1.193 378 P CA 0.067 62.880 63.100 -0.479 0.000 0.770 378 P CB 0.993 32.404 31.700 -0.480 0.000 0.836 379 V N 0.882 120.654 119.914 -0.237 0.000 2.925 379 V HA 0.412 4.532 4.120 -0.000 0.000 0.311 379 V C -0.122 175.845 176.094 -0.211 0.000 1.104 379 V CA -1.019 61.132 62.300 -0.247 0.000 0.954 379 V CB 2.108 33.837 31.823 -0.155 0.000 1.022 379 V HN 0.227 nan 8.190 nan 0.000 0.427 380 I N 4.267 124.701 120.570 -0.226 0.000 2.453 380 I HA 0.111 4.281 4.170 -0.000 0.000 0.300 380 I C 1.218 177.283 176.117 -0.087 0.000 1.159 380 I CA 0.518 61.736 61.300 -0.136 0.000 1.379 380 I CB -0.463 37.478 38.000 -0.099 0.000 1.460 380 I HN 1.008 nan 8.210 nan 0.000 0.601 381 D N 4.208 124.557 120.400 -0.084 0.000 2.354 381 D HA -0.000 4.640 4.640 -0.000 0.000 0.209 381 D C 1.305 177.591 176.300 -0.022 0.000 1.015 381 D CA 0.904 54.867 54.000 -0.062 0.000 0.867 381 D CB 0.849 41.593 40.800 -0.094 0.000 0.933 381 D HN 0.681 nan 8.370 nan 0.000 0.520 382 G N 1.053 109.849 108.800 -0.007 0.000 2.241 382 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.244 382 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.244 382 G C 0.664 175.604 174.900 0.066 0.000 0.998 382 G CA 0.664 45.781 45.100 0.027 0.000 0.621 382 G HN 0.529 nan 8.290 nan 0.000 0.519 383 D N -0.955 119.481 120.400 0.060 0.000 3.206 383 D HA 0.285 4.925 4.640 -0.000 0.000 0.267 383 D C 2.452 178.808 176.300 0.093 0.000 1.506 383 D CA 1.097 55.187 54.000 0.151 0.000 1.173 383 D CB -0.197 40.685 40.800 0.137 0.000 1.141 383 D HN 0.187 nan 8.370 nan 0.000 0.350 384 V N 0.939 120.754 119.914 -0.165 0.000 2.261 384 V HA -0.048 4.072 4.120 -0.000 0.000 0.246 384 V C 0.785 176.808 176.094 -0.119 0.000 1.047 384 V CA 1.000 63.095 62.300 -0.342 0.000 1.015 384 V CB -0.178 31.385 31.823 -0.433 0.000 0.642 384 V HN 0.340 nan 8.190 nan 0.000 0.446 385 I N 2.022 122.541 120.570 -0.085 0.000 2.412 385 I HA 0.237 4.407 4.170 -0.000 0.000 0.279 385 I C -1.294 174.820 176.117 -0.004 0.000 1.063 385 I CA -2.378 58.895 61.300 -0.044 0.000 1.193 385 I CB 0.682 38.630 38.000 -0.088 0.000 1.370 385 I HN 0.183 nan 8.210 nan 0.000 0.479 386 P HA -0.153 nan 4.420 nan 0.000 0.217 386 P C 0.350 177.674 177.300 0.041 0.000 1.151 386 P CA 1.558 64.698 63.100 0.067 0.000 0.849 386 P CB 1.037 32.797 31.700 0.100 0.000 0.787 387 D N -2.183 118.237 120.400 0.032 0.000 2.838 387 D HA 0.093 4.733 4.640 -0.000 0.000 0.334 387 D C -1.292 175.027 176.300 0.031 0.000 1.315 387 D CA -0.622 53.398 54.000 0.033 0.000 0.917 387 D CB 0.798 41.622 40.800 0.039 0.000 1.435 387 D HN -0.264 nan 8.370 nan 0.000 0.517 388 D N 0.516 120.948 120.400 0.053 0.000 2.401 388 D HA 0.098 4.738 4.640 -0.000 0.000 0.254 388 D C -1.634 174.699 176.300 0.055 0.000 1.192 388 D CA -1.186 52.862 54.000 0.081 0.000 0.885 388 D CB 1.554 42.422 40.800 0.114 0.000 1.147 388 D HN -0.016 nan 8.370 nan 0.000 0.478 389 P HA -0.252 nan 4.420 nan 0.000 0.219 389 P C 1.203 178.515 177.300 0.019 0.000 1.158 389 P CA 1.745 64.855 63.100 0.016 0.000 0.895 389 P CB 0.182 31.881 31.700 -0.002 0.000 0.792 390 Q N -0.396 119.418 119.800 0.024 0.000 2.152 390 Q HA -0.173 4.167 4.340 -0.000 0.000 0.206 390 Q C 1.881 177.902 176.000 0.035 0.000 0.985 390 Q CA 1.740 57.551 55.803 0.014 0.000 0.863 390 Q CB -1.088 27.648 28.738 -0.004 0.000 0.904 390 Q HN 0.248 nan 8.270 nan 0.000 0.422 391 I N -0.712 119.883 120.570 0.042 0.000 2.235 391 I HA -0.216 3.954 4.170 -0.000 0.000 0.241 391 I C 2.046 178.203 176.117 0.066 0.000 1.085 391 I CA 0.633 61.963 61.300 0.051 0.000 1.378 391 I CB -0.314 37.712 38.000 0.044 0.000 1.076 391 I HN 0.184 nan 8.210 nan 0.000 0.415 392 L N 0.005 121.265 121.223 0.062 0.000 2.021 392 L HA -0.290 4.050 4.340 -0.000 0.000 0.215 392 L C 2.781 179.728 176.870 0.129 0.000 1.074 392 L CA 1.335 56.222 54.840 0.077 0.000 0.760 392 L CB -0.704 41.399 42.059 0.074 0.000 0.889 392 L HN 0.319 nan 8.230 nan 0.000 0.433 393 M N -0.381 119.285 119.600 0.110 0.000 2.108 393 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 393 M C 2.143 178.615 176.300 0.287 0.000 1.066 393 M CA 1.787 57.174 55.300 0.145 0.000 1.107 393 M CB -1.010 31.604 32.600 0.024 0.000 1.356 393 M HN 0.327 nan 8.290 nan 0.000 0.406 394 E N -0.293 120.031 120.200 0.206 0.000 2.208 394 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 394 E C 1.614 178.395 176.600 0.302 0.000 0.988 394 E CA 0.643 57.192 56.400 0.249 0.000 0.828 394 E CB -0.079 29.706 29.700 0.140 0.000 0.763 394 E HN 0.645 nan 8.360 nan 0.000 0.478 395 Q N -0.336 119.561 119.800 0.162 0.000 2.320 395 Q HA 0.116 4.456 4.340 -0.000 0.000 0.201 395 Q C 0.805 176.663 176.000 -0.236 0.000 0.910 395 Q CA 0.306 56.144 55.803 0.058 0.000 0.946 395 Q CB 0.848 29.596 28.738 0.017 0.000 1.062 395 Q HN 0.337 nan 8.270 nan 0.000 0.503 396 G N 1.685 110.174 108.800 -0.519 0.000 2.203 396 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.263 396 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.263 396 G C 0.105 174.416 174.900 -0.982 0.000 1.012 396 G CA 0.059 44.168 45.100 -1.652 0.000 0.749 396 G HN 0.284 nan 8.290 nan 0.000 0.512 397 E N -0.107 119.906 120.200 -0.311 0.000 2.773 397 E HA 0.344 4.694 4.350 -0.000 0.000 0.302 397 E C 0.339 176.973 176.600 0.057 0.000 1.574 397 E CA 0.367 56.687 56.400 -0.133 0.000 1.775 397 E CB -0.814 28.878 29.700 -0.013 0.000 1.413 397 E HN 0.715 nan 8.360 nan 0.000 0.471 398 F N -2.278 117.590 119.950 -0.138 0.000 2.631 398 F HA 0.480 5.007 4.527 -0.000 0.000 0.308 398 F C -0.422 175.395 175.800 0.029 0.000 1.097 398 F CA -1.410 56.585 58.000 -0.009 0.000 0.952 398 F CB 0.624 39.614 39.000 -0.015 0.000 1.307 398 F HN -0.249 nan 8.300 nan 0.000 0.450 399 L N 2.243 123.656 121.223 0.316 0.000 2.482 399 L HA 0.312 4.652 4.340 -0.000 0.000 0.242 399 L C 0.086 177.060 176.870 0.172 0.000 1.210 399 L CA -0.969 53.903 54.840 0.053 0.000 0.819 399 L CB 0.443 42.399 42.059 -0.173 0.000 1.203 399 L HN 0.817 nan 8.230 nan 0.000 0.495 400 N N -0.399 118.242 118.700 -0.097 0.000 2.438 400 N HA 0.303 5.043 4.740 -0.000 0.000 0.282 400 N C -1.456 173.976 175.510 -0.130 0.000 1.037 400 N CA -0.295 52.799 53.050 0.073 0.000 0.942 400 N CB 1.171 39.671 38.487 0.022 0.000 1.136 400 N HN 0.344 nan 8.380 nan 0.000 0.481 401 Y N -0.814 119.581 120.300 0.159 0.000 2.669 401 Y HA 0.361 4.911 4.550 -0.000 0.000 0.335 401 Y C -0.247 175.724 175.900 0.119 0.000 1.116 401 Y CA -1.238 56.915 58.100 0.089 0.000 1.081 401 Y CB 1.127 39.643 38.460 0.093 0.000 1.297 401 Y HN 0.361 nan 8.280 nan 0.000 0.484 402 D N 1.892 122.457 120.400 0.275 0.000 2.313 402 D HA 0.301 4.941 4.640 -0.000 0.000 0.239 402 D C -0.634 175.919 176.300 0.421 0.000 1.142 402 D CA 0.234 54.396 54.000 0.270 0.000 0.847 402 D CB 1.115 41.937 40.800 0.036 0.000 1.082 402 D HN 0.218 nan 8.370 nan 0.000 0.480 403 I N 2.759 123.504 120.570 0.292 0.000 2.412 403 I HA 0.383 4.553 4.170 -0.000 0.000 0.296 403 I C 0.186 176.272 176.117 -0.052 0.000 0.987 403 I CA -0.540 60.796 61.300 0.060 0.000 1.180 403 I CB 1.698 39.536 38.000 -0.270 0.000 1.340 403 I HN 0.275 nan 8.210 nan 0.000 0.455 404 M N 8.709 128.127 119.600 -0.304 0.000 2.213 404 M HA 0.621 5.101 4.480 -0.000 0.000 0.286 404 M C -1.987 174.127 176.300 -0.310 0.000 1.008 404 M CA -0.519 54.470 55.300 -0.519 0.000 0.937 404 M CB 2.033 33.833 32.600 -1.334 0.000 1.600 404 M HN 0.555 nan 8.290 nan 0.000 0.450 405 L N 1.925 123.023 121.223 -0.208 0.000 2.568 405 L HA 1.146 5.486 4.340 -0.000 0.000 0.257 405 L C -0.949 175.496 176.870 -0.708 0.000 1.024 405 L CA -0.680 54.007 54.840 -0.254 0.000 0.854 405 L CB 1.977 43.871 42.059 -0.275 0.000 1.460 405 L HN 0.783 nan 8.230 nan 0.000 0.409 406 G N 0.037 108.244 108.800 -0.989 0.000 2.430 406 G HA2 0.601 4.561 3.960 -0.000 0.000 0.300 406 G HA3 0.601 4.561 3.960 -0.000 0.000 0.300 406 G C -1.484 172.794 174.900 -1.036 0.000 1.330 406 G CA 0.005 44.002 45.100 -1.838 0.000 0.813 406 G HN 1.324 nan 8.290 nan 0.000 0.487 407 V N -2.455 116.966 119.914 -0.822 0.000 3.141 407 V HA 0.883 5.003 4.120 -0.000 0.000 0.312 407 V C -0.896 175.075 176.094 -0.205 0.000 1.157 407 V CA -1.461 60.647 62.300 -0.319 0.000 1.041 407 V CB 1.918 33.681 31.823 -0.101 0.000 1.071 407 V HN 0.654 nan 8.190 nan 0.000 0.441 408 N N 0.799 119.424 118.700 -0.125 0.000 2.430 408 N HA 0.385 5.125 4.740 -0.000 0.000 0.298 408 N C 0.668 176.048 175.510 -0.217 0.000 1.130 408 N CA -0.252 52.749 53.050 -0.082 0.000 0.894 408 N CB 1.672 40.153 38.487 -0.009 0.000 1.209 408 N HN 0.964 nan 8.380 nan 0.000 0.503 409 Q N 0.992 120.524 119.800 -0.447 0.000 2.014 409 Q HA -0.107 4.232 4.340 -0.000 0.000 0.207 409 Q C 0.305 176.211 176.000 -0.156 0.000 0.993 409 Q CA 1.911 57.401 55.803 -0.521 0.000 0.850 409 Q CB -0.353 27.819 28.738 -0.943 0.000 0.916 409 Q HN 0.740 nan 8.270 nan 0.000 0.417 410 G N 0.334 109.048 108.800 -0.143 0.000 4.637 410 G HA2 0.112 4.072 3.960 -0.000 0.000 0.308 410 G HA3 0.112 4.072 3.960 -0.000 0.000 0.308 410 G C 0.224 175.066 174.900 -0.097 0.000 1.377 410 G CA -0.400 44.673 45.100 -0.045 0.000 1.176 410 G HN 0.244 nan 8.290 nan 0.000 0.601 411 E N 1.391 121.453 120.200 -0.229 0.000 2.055 411 E HA -0.165 4.185 4.350 -0.000 0.000 0.209 411 E C 2.150 178.491 176.600 -0.431 0.000 1.036 411 E CA 1.517 57.550 56.400 -0.611 0.000 0.849 411 E CB -0.360 28.565 29.700 -1.292 0.000 0.767 411 E HN 0.383 nan 8.360 nan 0.000 0.461 412 G N 1.701 110.489 108.800 -0.019 0.000 3.263 412 G HA2 0.122 4.082 3.960 -0.000 0.000 0.246 412 G HA3 0.122 4.082 3.960 -0.000 0.000 0.246 412 G C 1.056 176.180 174.900 0.373 0.000 0.982 412 G CA -0.163 45.246 45.100 0.515 0.000 1.897 412 G HN 0.054 nan 8.290 nan 0.000 0.624 413 L N 0.512 121.857 121.223 0.203 0.000 1.961 413 L HA -0.008 4.332 4.340 -0.000 0.000 0.210 413 L C 2.445 179.450 176.870 0.225 0.000 1.072 413 L CA 1.825 56.779 54.840 0.190 0.000 0.749 413 L CB -0.301 41.797 42.059 0.065 0.000 0.889 413 L HN 0.083 nan 8.230 nan 0.000 0.432 414 K N -0.513 120.008 120.400 0.202 0.000 2.228 414 K HA -0.258 4.062 4.320 -0.000 0.000 0.205 414 K C 2.118 178.825 176.600 0.179 0.000 1.045 414 K CA 1.718 58.115 56.287 0.183 0.000 0.931 414 K CB -0.997 31.613 32.500 0.183 0.000 0.727 414 K HN 0.429 nan 8.250 nan 0.000 0.458 415 F N 1.411 121.341 119.950 -0.033 0.000 2.102 415 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 415 F C 2.034 177.738 175.800 -0.159 0.000 1.105 415 F CA 1.597 59.403 58.000 -0.323 0.000 1.239 415 F CB -0.265 38.187 39.000 -0.913 0.000 0.991 415 F HN -0.122 nan 8.300 nan 0.000 0.474 416 V N -2.278 117.562 119.914 -0.123 0.000 2.949 416 V HA 0.021 4.140 4.120 -0.000 0.000 0.245 416 V C 2.037 178.122 176.094 -0.015 0.000 1.086 416 V CA 1.231 63.415 62.300 -0.193 0.000 1.097 416 V CB -0.884 30.897 31.823 -0.069 0.000 0.762 416 V HN 0.398 nan 8.190 nan 0.000 0.470 417 E N 1.640 121.933 120.200 0.156 0.000 2.284 417 E HA -0.380 3.970 4.350 -0.000 0.000 0.200 417 E C 1.954 178.627 176.600 0.122 0.000 1.008 417 E CA 1.852 58.401 56.400 0.249 0.000 0.829 417 E CB -0.273 29.569 29.700 0.237 0.000 0.744 417 E HN 0.758 nan 8.360 nan 0.000 0.491 418 N N 0.808 119.533 118.700 0.042 0.000 2.069 418 N HA -0.180 4.560 4.740 -0.000 0.000 0.191 418 N C 1.326 176.841 175.510 0.008 0.000 1.031 418 N CA 1.977 55.036 53.050 0.016 0.000 0.852 418 N CB -0.056 38.413 38.487 -0.029 0.000 1.018 418 N HN 0.424 nan 8.380 nan 0.000 0.423 419 I N -2.370 118.185 120.570 -0.025 0.000 2.998 419 I HA 0.391 4.561 4.170 -0.000 0.000 0.338 419 I C -1.109 174.980 176.117 -0.045 0.000 1.413 419 I CA -0.720 60.566 61.300 -0.023 0.000 0.880 419 I CB 0.811 38.798 38.000 -0.022 0.000 2.051 419 I HN -0.264 nan 8.210 nan 0.000 0.561 420 V N 3.390 123.281 119.914 -0.038 0.000 2.288 420 V HA 0.128 4.248 4.120 -0.000 0.000 0.266 420 V C 0.078 176.136 176.094 -0.060 0.000 1.048 420 V CA -0.463 61.771 62.300 -0.109 0.000 0.842 420 V CB 0.540 32.248 31.823 -0.193 0.000 1.064 420 V HN 0.668 nan 8.190 nan 0.000 0.472 421 D N 3.591 123.953 120.400 -0.065 0.000 2.341 421 D HA -0.091 4.549 4.640 -0.000 0.000 0.233 421 D C 1.540 177.826 176.300 -0.023 0.000 1.270 421 D CA 0.526 54.505 54.000 -0.035 0.000 0.883 421 D CB 0.587 41.365 40.800 -0.038 0.000 1.207 421 D HN 0.467 nan 8.370 nan 0.000 0.471 422 S N -0.598 115.102 115.700 -0.001 0.000 2.420 422 S HA -0.265 4.205 4.470 -0.000 0.000 0.237 422 S C 0.671 175.277 174.600 0.009 0.000 1.023 422 S CA 1.394 59.603 58.200 0.017 0.000 0.991 422 S CB -0.485 62.724 63.200 0.015 0.000 0.792 422 S HN 0.589 nan 8.310 nan 0.000 0.488 423 D N 1.532 121.921 120.400 -0.019 0.000 2.395 423 D HA 0.219 4.859 4.640 -0.000 0.000 0.226 423 D C -0.478 175.781 176.300 -0.068 0.000 1.146 423 D CA 0.019 54.002 54.000 -0.027 0.000 0.830 423 D CB -0.184 40.598 40.800 -0.030 0.000 0.958 423 D HN 0.140 nan 8.370 nan 0.000 0.501 424 D N -0.008 120.330 120.400 -0.103 0.000 2.751 424 D HA -0.147 4.493 4.640 -0.000 0.000 0.233 424 D C 0.625 176.723 176.300 -0.336 0.000 1.149 424 D CA 1.232 55.063 54.000 -0.282 0.000 0.682 424 D CB -1.138 39.514 40.800 -0.246 0.000 1.068 424 D HN 0.445 nan 8.370 nan 0.000 0.429 425 G N -1.602 107.061 108.800 -0.228 0.000 3.108 425 G HA2 0.716 4.676 3.960 -0.000 0.000 0.268 425 G HA3 0.716 4.676 3.960 -0.000 0.000 0.268 425 G C -0.829 173.966 174.900 -0.175 0.000 1.361 425 G CA -0.522 44.460 45.100 -0.196 0.000 1.047 425 G HN 0.151 nan 8.290 nan 0.000 0.540 426 V N 0.722 120.559 119.914 -0.129 0.000 2.612 426 V HA 0.391 4.511 4.120 -0.000 0.000 0.301 426 V C 0.160 176.231 176.094 -0.038 0.000 1.059 426 V CA -0.961 61.292 62.300 -0.078 0.000 0.886 426 V CB 1.498 33.286 31.823 -0.060 0.000 1.007 426 V HN 1.047 nan 8.190 nan 0.000 0.426 427 S N 3.464 119.159 115.700 -0.007 0.000 2.533 427 S HA 0.362 4.832 4.470 -0.000 0.000 0.282 427 S C 1.451 176.086 174.600 0.058 0.000 1.304 427 S CA 0.146 58.354 58.200 0.013 0.000 1.063 427 S CB 1.501 64.710 63.200 0.014 0.000 0.881 427 S HN 1.326 nan 8.310 nan 0.000 0.493 428 A N 3.403 126.249 122.820 0.044 0.000 2.084 428 A HA -0.127 4.193 4.320 -0.000 0.000 0.221 428 A C 2.375 180.057 177.584 0.164 0.000 1.161 428 A CA 1.916 54.001 52.037 0.081 0.000 0.653 428 A CB -1.313 17.718 19.000 0.052 0.000 0.802 428 A HN 1.276 nan 8.150 nan 0.000 0.457 429 S N -0.920 114.852 115.700 0.120 0.000 2.446 429 S HA -0.080 4.390 4.470 -0.000 0.000 0.225 429 S C 1.382 176.082 174.600 0.166 0.000 1.016 429 S CA 0.952 59.227 58.200 0.125 0.000 0.943 429 S CB -0.220 63.018 63.200 0.063 0.000 0.786 429 S HN 0.489 nan 8.310 nan 0.000 0.508 430 D N 0.671 121.164 120.400 0.155 0.000 2.194 430 D HA 0.086 4.726 4.640 -0.000 0.000 0.204 430 D C 1.415 177.846 176.300 0.219 0.000 0.964 430 D CA 0.577 54.691 54.000 0.189 0.000 0.846 430 D CB -0.243 40.621 40.800 0.107 0.000 0.962 430 D HN 0.468 nan 8.370 nan 0.000 0.490 431 F N 1.810 121.787 119.950 0.044 0.000 2.098 431 F HA -0.143 4.384 4.527 -0.000 0.000 0.294 431 F C 1.820 177.650 175.800 0.051 0.000 1.107 431 F CA 1.219 59.223 58.000 0.007 0.000 1.234 431 F CB -0.058 38.928 39.000 -0.024 0.000 1.002 431 F HN -0.250 nan 8.300 nan 0.000 0.472 432 D N -0.066 120.497 120.400 0.271 0.000 2.190 432 D HA -0.226 4.414 4.640 -0.000 0.000 0.200 432 D C 1.896 178.261 176.300 0.107 0.000 0.992 432 D CA 1.395 55.494 54.000 0.165 0.000 0.854 432 D CB -0.497 40.436 40.800 0.223 0.000 0.936 432 D HN 0.366 nan 8.370 nan 0.000 0.462 433 F N 1.167 121.114 119.950 -0.005 0.000 2.094 433 F HA 0.046 4.573 4.527 -0.000 0.000 0.291 433 F C 2.205 177.993 175.800 -0.021 0.000 1.109 433 F CA 1.373 59.373 58.000 -0.001 0.000 1.221 433 F CB -0.798 38.206 39.000 0.007 0.000 1.014 433 F HN -0.053 nan 8.300 nan 0.000 0.473 434 A N 0.338 122.974 122.820 -0.306 0.000 1.940 434 A HA -0.228 4.092 4.320 -0.000 0.000 0.221 434 A C 2.308 179.747 177.584 -0.242 0.000 1.190 434 A CA 2.643 54.439 52.037 -0.402 0.000 0.647 434 A CB -1.556 17.238 19.000 -0.343 0.000 0.821 434 A HN 0.344 nan 8.150 nan 0.000 0.457 435 V N -0.579 119.167 119.914 -0.280 0.000 2.244 435 V HA -0.210 3.910 4.120 -0.000 0.000 0.244 435 V C 2.724 178.835 176.094 0.029 0.000 1.042 435 V CA 2.256 64.459 62.300 -0.162 0.000 1.006 435 V CB -1.063 30.575 31.823 -0.308 0.000 0.641 435 V HN 0.572 nan 8.190 nan 0.000 0.446 436 S N 0.344 116.032 115.700 -0.020 0.000 2.392 436 S HA -0.317 4.152 4.470 -0.000 0.000 0.232 436 S C 1.852 176.470 174.600 0.030 0.000 1.041 436 S CA 2.323 60.549 58.200 0.044 0.000 1.026 436 S CB -0.649 62.594 63.200 0.071 0.000 0.845 436 S HN 0.739 nan 8.310 nan 0.000 0.465 437 N N 0.465 119.097 118.700 -0.112 0.000 2.109 437 N HA -0.052 4.688 4.740 -0.000 0.000 0.188 437 N C 1.596 177.172 175.510 0.110 0.000 1.034 437 N CA 1.149 54.128 53.050 -0.118 0.000 0.846 437 N CB -0.367 37.840 38.487 -0.467 0.000 1.010 437 N HN 0.393 nan 8.380 nan 0.000 0.425 438 F N 0.612 120.593 119.950 0.051 0.000 2.154 438 F HA -0.174 4.353 4.527 -0.000 0.000 0.301 438 F C 1.768 177.659 175.800 0.152 0.000 1.087 438 F CA 1.174 59.282 58.000 0.181 0.000 1.274 438 F CB -0.331 38.726 39.000 0.096 0.000 1.009 438 F HN -0.080 nan 8.300 nan 0.000 0.485 439 V N 0.835 120.961 119.914 0.354 0.000 2.358 439 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 439 V C 2.067 178.261 176.094 0.167 0.000 1.047 439 V CA 2.158 64.633 62.300 0.293 0.000 1.035 439 V CB -0.722 31.279 31.823 0.298 0.000 0.658 439 V HN 0.330 nan 8.190 nan 0.000 0.452 440 D N 0.334 120.800 120.400 0.111 0.000 2.149 440 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 440 D C 1.991 178.303 176.300 0.020 0.000 0.990 440 D CA 1.271 55.311 54.000 0.068 0.000 0.839 440 D CB -0.282 40.547 40.800 0.048 0.000 0.948 440 D HN 0.435 nan 8.370 nan 0.000 0.460 441 N N 0.088 118.782 118.700 -0.010 0.000 2.250 441 N HA -0.043 4.697 4.740 -0.000 0.000 0.181 441 N C 1.707 177.162 175.510 -0.092 0.000 1.017 441 N CA 0.262 53.282 53.050 -0.051 0.000 0.866 441 N CB 0.147 38.605 38.487 -0.048 0.000 0.985 441 N HN 0.164 nan 8.380 nan 0.000 0.429 442 L N -0.354 120.721 121.223 -0.247 0.000 2.477 442 L HA 0.101 4.441 4.340 -0.000 0.000 0.220 442 L C -0.365 176.068 176.870 -0.729 0.000 1.106 442 L CA 0.807 55.312 54.840 -0.559 0.000 0.851 442 L CB -0.313 41.130 42.059 -1.027 0.000 0.994 442 L HN 0.095 nan 8.230 nan 0.000 0.462 443 Y N -0.833 119.424 120.300 -0.070 0.000 2.475 443 Y HA 0.526 5.076 4.550 -0.000 0.000 0.343 443 Y C 0.665 176.607 175.900 0.071 0.000 1.068 443 Y CA -0.693 57.446 58.100 0.065 0.000 1.307 443 Y CB 0.821 39.378 38.460 0.162 0.000 1.097 443 Y HN -0.087 nan 8.280 nan 0.000 0.530 452 L N 1.042 122.276 121.223 0.018 0.000 2.179 452 L HA 0.132 4.472 4.340 -0.000 0.000 0.208 452 L C 2.624 179.522 176.870 0.046 0.000 1.096 452 L CA 1.796 56.639 54.840 0.004 0.000 0.779 452 L CB -0.590 41.441 42.059 -0.048 0.000 0.922 452 L HN 0.391 nan 8.230 nan 0.000 0.443 453 R N 0.752 121.294 120.500 0.070 0.000 2.112 453 R HA -0.268 4.072 4.340 -0.000 0.000 0.242 453 R C 2.117 178.484 176.300 0.112 0.000 1.137 453 R CA 2.207 58.368 56.100 0.101 0.000 0.944 453 R CB -0.103 30.254 30.300 0.095 0.000 0.857 453 R HN 0.215 nan 8.270 nan 0.000 0.435 454 E N -0.636 119.626 120.200 0.104 0.000 2.150 454 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 454 E C 1.773 178.476 176.600 0.173 0.000 0.985 454 E CA 1.700 58.181 56.400 0.136 0.000 0.814 454 E CB -0.087 29.670 29.700 0.094 0.000 0.752 454 E HN 0.332 nan 8.360 nan 0.000 0.466 455 T N 0.860 115.484 114.554 0.116 0.000 2.821 455 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 455 T C 1.617 176.423 174.700 0.177 0.000 1.046 455 T CA 0.958 63.131 62.100 0.122 0.000 1.139 455 T CB -0.054 68.832 68.868 0.030 0.000 0.871 455 T HN 0.098 nan 8.240 nan 0.000 0.454 456 I N 1.442 122.095 120.570 0.139 0.000 2.163 456 I HA -0.083 4.087 4.170 -0.000 0.000 0.240 456 I C 2.321 178.616 176.117 0.298 0.000 1.081 456 I CA 1.403 62.808 61.300 0.176 0.000 1.353 456 I CB -1.083 37.006 38.000 0.148 0.000 1.054 456 I HN 0.254 nan 8.210 nan 0.000 0.407 457 K N 0.166 120.725 120.400 0.265 0.000 2.074 457 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 457 K C 2.185 179.035 176.600 0.416 0.000 1.048 457 K CA 1.692 58.193 56.287 0.357 0.000 0.926 457 K CB -0.428 32.269 32.500 0.328 0.000 0.713 457 K HN 0.181 nan 8.250 nan 0.000 0.444 458 F N 1.711 121.849 119.950 0.314 0.000 2.051 458 F HA -0.221 4.305 4.527 -0.000 0.000 0.296 458 F C 2.134 178.137 175.800 0.338 0.000 1.122 458 F CA 1.435 59.706 58.000 0.451 0.000 1.201 458 F CB -0.193 38.982 39.000 0.291 0.000 0.978 458 F HN -0.096 nan 8.300 nan 0.000 0.472 459 M N -0.869 118.820 119.600 0.149 0.000 2.260 459 M HA -0.238 4.242 4.480 -0.000 0.000 0.261 459 M C 0.823 176.904 176.300 -0.364 0.000 1.066 459 M CA 1.524 56.730 55.300 -0.157 0.000 1.082 459 M CB -1.558 30.953 32.600 -0.148 0.000 1.388 459 M HN 0.275 nan 8.290 nan 0.000 0.419 460 Y N -0.520 119.765 120.300 -0.024 0.000 2.774 460 Y HA 0.230 4.780 4.550 -0.000 0.000 0.305 460 Y C 0.057 175.874 175.900 -0.139 0.000 1.067 460 Y CA -0.292 57.812 58.100 0.007 0.000 1.304 460 Y CB 0.335 38.902 38.460 0.179 0.000 1.209 460 Y HN -0.106 nan 8.280 nan 0.000 0.543 461 T N 0.152 114.478 114.554 -0.380 0.000 2.906 461 T HA 0.060 4.410 4.350 -0.000 0.000 0.302 461 T C -1.079 173.023 174.700 -0.996 0.000 1.002 461 T CA -0.780 60.822 62.100 -0.829 0.000 0.988 461 T CB 0.726 68.768 68.868 -1.377 0.000 0.972 461 T HN 0.087 nan 8.240 nan 0.000 0.447 462 D N 2.317 122.344 120.400 -0.621 0.000 2.398 462 D HA 0.083 4.723 4.640 -0.000 0.000 0.250 462 D C 0.466 176.511 176.300 -0.425 0.000 1.287 462 D CA -0.465 53.291 54.000 -0.408 0.000 0.992 462 D CB 0.267 40.930 40.800 -0.229 0.000 1.071 462 D HN 0.590 nan 8.370 nan 0.000 0.514 463 W N 2.946 124.136 121.300 -0.185 0.000 2.468 463 W HA -0.025 4.635 4.660 -0.000 0.000 0.262 463 W C 2.041 178.491 176.519 -0.115 0.000 1.241 463 W CA 0.399 57.651 57.345 -0.154 0.000 1.232 463 W CB -0.111 29.272 29.460 -0.128 0.000 1.124 463 W HN 0.542 nan 8.180 nan 0.000 0.597 464 A N 0.111 122.976 122.820 0.075 0.000 2.310 464 A HA 0.064 4.384 4.320 -0.000 0.000 0.230 464 A C 0.549 178.127 177.584 -0.010 0.000 1.294 464 A CA 0.985 53.045 52.037 0.038 0.000 0.898 464 A CB -0.364 18.651 19.000 0.025 0.000 0.917 464 A HN 0.157 nan 8.150 nan 0.000 0.491 465 D N -0.664 119.703 120.400 -0.056 0.000 4.356 465 D HA -0.059 4.581 4.640 -0.000 0.000 0.212 465 D C 0.814 177.006 176.300 -0.181 0.000 1.367 465 D CA 0.079 54.029 54.000 -0.082 0.000 0.791 465 D CB -0.650 40.104 40.800 -0.076 0.000 1.503 465 D HN 0.532 nan 8.370 nan 0.000 0.800 466 R N -0.315 120.031 120.500 -0.256 0.000 2.425 466 R HA -0.001 4.339 4.340 -0.000 0.000 0.206 466 R C 0.330 176.285 176.300 -0.574 0.000 1.117 466 R CA 1.318 57.137 56.100 -0.468 0.000 1.098 466 R CB -0.560 29.497 30.300 -0.406 0.000 0.843 466 R HN 0.285 nan 8.270 nan 0.000 0.480 467 H N -1.780 117.215 119.070 -0.123 0.000 3.643 467 H HA 0.148 4.704 4.556 -0.000 0.000 0.256 467 H C -0.220 175.042 175.328 -0.110 0.000 1.107 467 H CA -0.687 55.299 56.048 -0.104 0.000 1.175 467 H CB 0.427 30.156 29.762 -0.055 0.000 1.519 467 H HN 0.107 nan 8.280 nan 0.000 0.565 468 N N 2.864 121.555 118.700 -0.015 0.000 2.429 468 N HA -0.036 4.704 4.740 -0.000 0.000 0.271 468 N C -1.998 173.458 175.510 -0.090 0.000 1.272 468 N CA -1.197 51.826 53.050 -0.045 0.000 0.921 468 N CB 1.096 39.549 38.487 -0.056 0.000 1.128 468 N HN 0.114 nan 8.380 nan 0.000 0.481 469 P HA -0.047 nan 4.420 nan 0.000 0.221 469 P C 0.602 177.819 177.300 -0.138 0.000 1.150 469 P CA 1.074 64.109 63.100 -0.109 0.000 0.800 469 P CB 0.393 32.042 31.700 -0.085 0.000 0.787 470 E N -1.177 118.949 120.200 -0.123 0.000 2.106 470 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 470 E C 1.731 178.258 176.600 -0.121 0.000 0.984 470 E CA 1.285 57.600 56.400 -0.142 0.000 0.806 470 E CB -0.530 29.114 29.700 -0.092 0.000 0.750 470 E HN 0.220 nan 8.360 nan 0.000 0.458 471 T N 0.651 115.142 114.554 -0.105 0.000 2.770 471 T HA -0.125 4.225 4.350 -0.000 0.000 0.263 471 T C 1.789 176.403 174.700 -0.144 0.000 1.039 471 T CA 0.832 62.872 62.100 -0.101 0.000 1.142 471 T CB -0.141 68.660 68.868 -0.112 0.000 0.868 471 T HN 0.084 nan 8.240 nan 0.000 0.435 472 R N 0.903 121.279 120.500 -0.206 0.000 2.211 472 R HA -0.103 4.237 4.340 -0.000 0.000 0.240 472 R C 2.496 178.692 176.300 -0.174 0.000 1.144 472 R CA 1.193 57.109 56.100 -0.306 0.000 0.992 472 R CB -0.066 30.035 30.300 -0.332 0.000 0.869 472 R HN 0.272 nan 8.270 nan 0.000 0.462 473 R N 0.460 120.883 120.500 -0.128 0.000 2.075 473 R HA -0.045 4.295 4.340 -0.000 0.000 0.220 473 R C 1.748 178.041 176.300 -0.012 0.000 1.118 473 R CA 1.023 57.065 56.100 -0.098 0.000 0.986 473 R CB 0.014 30.163 30.300 -0.251 0.000 0.884 473 R HN 0.091 nan 8.270 nan 0.000 0.439 474 K N 0.127 120.524 120.400 -0.006 0.000 2.034 474 K HA -0.176 4.144 4.320 -0.000 0.000 0.214 474 K C 2.130 178.811 176.600 0.135 0.000 1.051 474 K CA 2.547 58.884 56.287 0.084 0.000 0.931 474 K CB -0.372 32.173 32.500 0.075 0.000 0.715 474 K HN 0.429 nan 8.250 nan 0.000 0.446 475 T N 0.341 114.963 114.554 0.112 0.000 2.777 475 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 475 T C 1.876 176.757 174.700 0.302 0.000 1.040 475 T CA 0.974 63.208 62.100 0.223 0.000 1.141 475 T CB -0.330 68.628 68.868 0.150 0.000 0.868 475 T HN 0.081 nan 8.240 nan 0.000 0.444 476 L N 0.840 122.236 121.223 0.288 0.000 2.131 476 L HA 0.222 4.562 4.340 -0.000 0.000 0.210 476 L C 2.278 179.280 176.870 0.221 0.000 1.092 476 L CA 1.378 56.397 54.840 0.298 0.000 0.759 476 L CB -0.903 41.344 42.059 0.312 0.000 0.903 476 L HN 0.443 nan 8.230 nan 0.000 0.435 477 L N -1.100 120.261 121.223 0.230 0.000 2.131 477 L HA -0.008 4.332 4.340 -0.000 0.000 0.206 477 L C 2.440 179.492 176.870 0.304 0.000 1.087 477 L CA 1.295 56.318 54.840 0.305 0.000 0.767 477 L CB -0.411 41.810 42.059 0.269 0.000 0.917 477 L HN 0.261 nan 8.230 nan 0.000 0.441 478 A N 0.140 123.121 122.820 0.269 0.000 1.933 478 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 478 A C 2.261 179.991 177.584 0.244 0.000 1.175 478 A CA 1.829 54.049 52.037 0.305 0.000 0.628 478 A CB -0.907 18.325 19.000 0.386 0.000 0.814 478 A HN 0.552 nan 8.150 nan 0.000 0.444 479 L N -1.918 119.272 121.223 -0.055 0.000 1.963 479 L HA -0.243 4.097 4.340 -0.000 0.000 0.220 479 L C 2.415 179.172 176.870 -0.189 0.000 1.076 479 L CA 2.446 56.953 54.840 -0.554 0.000 0.772 479 L CB -0.424 41.175 42.059 -0.766 0.000 0.892 479 L HN 0.430 nan 8.230 nan 0.000 0.435 480 F N 0.520 120.292 119.950 -0.298 0.000 2.026 480 F HA -0.291 4.235 4.527 -0.000 0.000 0.296 480 F C 2.626 178.405 175.800 -0.034 0.000 1.133 480 F CA 2.314 60.072 58.000 -0.403 0.000 1.188 480 F CB -0.935 37.727 39.000 -0.563 0.000 0.968 480 F HN 0.095 nan 8.300 nan 0.000 0.476 481 T N 0.215 114.983 114.554 0.357 0.000 2.649 481 T HA -0.278 4.072 4.350 -0.000 0.000 0.268 481 T C 1.485 176.352 174.700 0.278 0.000 1.036 481 T CA 1.926 64.262 62.100 0.393 0.000 1.157 481 T CB -0.545 68.487 68.868 0.274 0.000 0.861 481 T HN 0.239 nan 8.240 nan 0.000 0.445 482 D N -0.195 120.338 120.400 0.223 0.000 2.078 482 D HA -0.106 4.534 4.640 -0.000 0.000 0.193 482 D C 1.974 178.244 176.300 -0.050 0.000 0.990 482 D CA 1.115 55.247 54.000 0.220 0.000 0.827 482 D CB -0.670 40.422 40.800 0.488 0.000 0.975 482 D HN 0.425 nan 8.370 nan 0.000 0.451 483 H N 0.595 119.386 119.070 -0.466 0.000 2.321 483 H HA -0.051 4.505 4.556 -0.000 0.000 0.300 483 H C 1.764 176.633 175.328 -0.765 0.000 1.087 483 H CA 1.378 56.880 56.048 -0.909 0.000 1.319 483 H CB 0.337 29.392 29.762 -1.178 0.000 1.379 483 H HN 0.053 nan 8.280 nan 0.000 0.501 484 Q N -1.152 118.253 119.800 -0.660 0.000 2.311 484 Q HA -0.073 4.266 4.340 -0.000 0.000 0.203 484 Q C 1.860 177.243 176.000 -1.028 0.000 0.954 484 Q CA 0.710 55.819 55.803 -1.157 0.000 0.885 484 Q CB 0.288 27.852 28.738 -1.955 0.000 0.963 484 Q HN 0.620 nan 8.270 nan 0.000 0.471 485 W N -1.326 119.783 121.300 -0.319 0.000 4.332 485 W HA 0.087 4.747 4.660 -0.000 0.000 0.205 485 W C 1.904 178.366 176.519 -0.096 0.000 0.907 485 W CA -0.006 57.227 57.345 -0.186 0.000 2.184 485 W CB -0.379 29.003 29.460 -0.130 0.000 0.933 485 W HN -0.212 nan 8.180 nan 0.000 0.867 486 V N 1.817 121.882 119.914 0.253 0.000 2.282 486 V HA -0.310 3.810 4.120 -0.000 0.000 0.249 486 V C 2.497 178.696 176.094 0.176 0.000 1.057 486 V CA 2.832 65.292 62.300 0.266 0.000 1.032 486 V CB -1.696 30.329 31.823 0.336 0.000 0.645 486 V HN 0.149 nan 8.190 nan 0.000 0.447 487 A N 0.614 123.469 122.820 0.057 0.000 1.865 487 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 487 A C 0.665 178.234 177.584 -0.025 0.000 1.191 487 A CA 2.234 54.281 52.037 0.018 0.000 0.623 487 A CB -1.978 16.971 19.000 -0.084 0.000 0.826 487 A HN 0.551 nan 8.150 nan 0.000 0.444 488 P HA -0.092 nan 4.420 nan 0.000 0.217 488 P C 1.737 179.026 177.300 -0.018 0.000 1.150 488 P CA 1.832 64.859 63.100 -0.121 0.000 0.832 488 P CB -0.103 31.458 31.700 -0.232 0.000 0.787 489 A N -0.417 122.431 122.820 0.047 0.000 1.845 489 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 489 A C 2.333 180.070 177.584 0.255 0.000 1.195 489 A CA 2.152 54.268 52.037 0.133 0.000 0.616 489 A CB -1.771 17.335 19.000 0.175 0.000 0.832 489 A HN 0.009 nan 8.150 nan 0.000 0.443 490 V N 0.130 120.202 119.914 0.263 0.000 2.332 490 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 490 V C 3.062 179.200 176.094 0.075 0.000 1.055 490 V CA 2.069 64.428 62.300 0.099 0.000 1.038 490 V CB -1.501 30.348 31.823 0.044 0.000 0.651 490 V HN 0.653 nan 8.190 nan 0.000 0.450 491 A N -0.181 122.680 122.820 0.068 0.000 1.892 491 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 491 A C 2.411 180.028 177.584 0.056 0.000 1.188 491 A CA 2.907 54.974 52.037 0.051 0.000 0.631 491 A CB -1.182 17.826 19.000 0.012 0.000 0.822 491 A HN 0.510 nan 8.150 nan 0.000 0.447 492 T N 0.096 114.678 114.554 0.046 0.000 2.674 492 T HA -0.035 4.315 4.350 -0.000 0.000 0.265 492 T C 2.263 177.020 174.700 0.096 0.000 1.039 492 T CA 1.919 64.053 62.100 0.057 0.000 1.150 492 T CB -0.603 68.289 68.868 0.041 0.000 0.864 492 T HN 0.656 nan 8.240 nan 0.000 0.427 493 A N 1.629 124.467 122.820 0.030 0.000 1.948 493 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 493 A C 2.042 179.622 177.584 -0.007 0.000 1.177 493 A CA 2.241 54.208 52.037 -0.118 0.000 0.636 493 A CB -0.874 17.825 19.000 -0.503 0.000 0.815 493 A HN 0.448 nan 8.150 nan 0.000 0.449 494 D N -0.361 120.091 120.400 0.088 0.000 2.117 494 D HA -0.089 4.551 4.640 -0.000 0.000 0.197 494 D C 1.869 178.277 176.300 0.180 0.000 0.987 494 D CA 1.146 55.273 54.000 0.211 0.000 0.829 494 D CB -0.147 40.755 40.800 0.170 0.000 0.961 494 D HN 0.468 nan 8.370 nan 0.000 0.460 495 L N -0.503 120.826 121.223 0.177 0.000 2.127 495 L HA -0.064 4.276 4.340 -0.000 0.000 0.203 495 L C 2.356 179.478 176.870 0.420 0.000 1.080 495 L CA 0.729 55.718 54.840 0.249 0.000 0.768 495 L CB -0.340 41.871 42.059 0.253 0.000 0.924 495 L HN 0.203 nan 8.230 nan 0.000 0.444 496 H N 0.019 119.253 119.070 0.275 0.000 2.422 496 H HA -0.135 4.421 4.556 -0.000 0.000 0.298 496 H C 2.527 178.071 175.328 0.361 0.000 1.098 496 H CA 1.895 58.146 56.048 0.337 0.000 1.315 496 H CB 0.206 30.025 29.762 0.096 0.000 1.382 496 H HN 0.415 nan 8.280 nan 0.000 0.523 497 S N 0.449 116.371 115.700 0.370 0.000 2.348 497 S HA -0.154 4.316 4.470 -0.000 0.000 0.219 497 S C 1.950 176.666 174.600 0.193 0.000 1.033 497 S CA 1.015 59.380 58.200 0.274 0.000 0.974 497 S CB -0.528 62.836 63.200 0.273 0.000 0.868 497 S HN 0.397 nan 8.310 nan 0.000 0.459 498 N N 0.627 119.392 118.700 0.108 0.000 2.586 498 N HA -0.083 4.657 4.740 -0.000 0.000 0.191 498 N C 0.246 175.624 175.510 -0.220 0.000 1.085 498 N CA 0.893 53.884 53.050 -0.099 0.000 0.921 498 N CB -0.532 37.812 38.487 -0.239 0.000 0.954 498 N HN 0.474 nan 8.380 nan 0.000 0.448 499 F N -1.335 118.700 119.950 0.140 0.000 2.698 499 F HA 0.429 4.956 4.527 -0.000 0.000 0.304 499 F C 1.726 177.559 175.800 0.054 0.000 1.108 499 F CA 0.157 58.189 58.000 0.053 0.000 1.263 499 F CB 0.743 39.717 39.000 -0.045 0.000 1.013 499 F HN 0.096 nan 8.300 nan 0.000 0.532 500 G N -0.576 108.365 108.800 0.236 0.000 2.308 500 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.221 500 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.221 500 G C 0.524 175.544 174.900 0.199 0.000 1.032 500 G CA -0.007 45.197 45.100 0.174 0.000 0.623 500 G HN 0.173 nan 8.290 nan 0.000 0.506 501 S N 3.399 119.283 115.700 0.307 0.000 2.544 501 S HA 0.415 4.885 4.470 -0.000 0.000 0.290 501 S C -2.247 172.493 174.600 0.233 0.000 1.276 501 S CA -0.077 58.320 58.200 0.328 0.000 1.075 501 S CB 1.175 64.716 63.200 0.569 0.000 0.849 501 S HN 0.305 nan 8.310 nan 0.000 0.494 502 P HA 0.222 nan 4.420 nan 0.000 0.276 502 P C -0.681 176.682 177.300 0.106 0.000 1.264 502 P CA 0.011 63.177 63.100 0.110 0.000 0.769 502 P CB 0.564 32.351 31.700 0.146 0.000 0.840 503 T N 3.588 118.134 114.554 -0.013 0.000 2.885 503 T HA 0.534 4.884 4.350 -0.000 0.000 0.285 503 T C -0.874 173.695 174.700 -0.219 0.000 1.019 503 T CA -0.223 61.872 62.100 -0.008 0.000 1.010 503 T CB 0.688 69.600 68.868 0.073 0.000 1.022 503 T HN 0.103 nan 8.240 nan 0.000 0.466 504 Y N 1.024 121.304 120.300 -0.034 0.000 2.406 504 Y HA 0.645 5.195 4.550 -0.000 0.000 0.340 504 Y C -0.763 175.263 175.900 0.209 0.000 0.975 504 Y CA -1.229 56.843 58.100 -0.046 0.000 1.056 504 Y CB 1.562 39.559 38.460 -0.771 0.000 1.210 504 Y HN 0.640 nan 8.280 nan 0.000 0.448 505 F N 4.759 125.059 119.950 0.582 0.000 2.546 505 F HA 0.670 5.197 4.527 -0.000 0.000 0.320 505 F C -1.269 174.932 175.800 0.669 0.000 1.076 505 F CA -1.364 56.901 58.000 0.442 0.000 0.928 505 F CB 1.177 40.335 39.000 0.264 0.000 1.189 505 F HN 0.429 nan 8.300 nan 0.000 0.465 506 Y N 2.419 122.905 120.300 0.310 0.000 2.553 506 Y HA 0.880 5.430 4.550 -0.000 0.000 0.347 506 Y C -1.719 174.228 175.900 0.080 0.000 1.019 506 Y CA -1.706 56.527 58.100 0.221 0.000 1.032 506 Y CB 1.140 39.646 38.460 0.077 0.000 1.284 506 Y HN 0.772 nan 8.280 nan 0.000 0.466 507 A N 3.248 126.186 122.820 0.195 0.000 2.330 507 A HA 0.658 4.978 4.320 -0.000 0.000 0.313 507 A C -2.166 175.548 177.584 0.216 0.000 1.124 507 A CA -0.520 51.480 52.037 -0.061 0.000 0.774 507 A CB 0.496 19.340 19.000 -0.260 0.000 1.198 507 A HN 0.691 nan 8.150 nan 0.000 0.465 508 F N 2.860 122.806 119.950 -0.007 0.000 2.371 508 F HA 0.528 5.055 4.527 -0.000 0.000 0.363 508 F C -0.958 174.760 175.800 -0.138 0.000 1.122 508 F CA -0.641 57.371 58.000 0.021 0.000 1.129 508 F CB 0.707 39.763 39.000 0.094 0.000 1.173 508 F HN 0.537 nan 8.300 nan 0.000 0.489 509 Y N 5.238 125.271 120.300 -0.444 0.000 2.726 509 Y HA 0.325 4.875 4.550 -0.000 0.000 0.367 509 Y C -0.595 175.164 175.900 -0.235 0.000 1.038 509 Y CA -0.619 57.331 58.100 -0.249 0.000 1.174 509 Y CB -0.020 38.383 38.460 -0.095 0.000 1.265 509 Y HN 0.627 nan 8.280 nan 0.000 0.622 510 H N 0.719 119.515 119.070 -0.456 0.000 3.141 510 H HA 0.272 4.828 4.556 -0.000 0.000 0.309 510 H C -1.412 173.783 175.328 -0.223 0.000 1.083 510 H CA -0.815 55.044 56.048 -0.314 0.000 1.466 510 H CB 0.662 30.139 29.762 -0.475 0.000 2.095 510 H HN 0.430 nan 8.280 nan 0.000 0.467 511 H N 2.084 120.815 119.070 -0.564 0.000 2.908 511 H HA 0.521 5.077 4.556 -0.000 0.000 0.350 511 H C -0.750 174.474 175.328 -0.173 0.000 1.217 511 H CA -1.128 54.791 56.048 -0.215 0.000 1.168 511 H CB 0.928 30.648 29.762 -0.071 0.000 1.891 511 H HN 0.580 nan 8.280 nan 0.000 0.566 512 c N 1.710 120.365 118.600 0.092 0.000 2.347 512 c HA 0.204 4.774 4.570 -0.000 0.000 0.353 512 c C 0.239 174.240 174.090 -0.148 0.000 1.273 512 c CA -0.169 56.180 56.329 0.034 0.000 1.861 512 c CB -0.490 42.151 42.510 0.218 0.000 2.420 512 c HN 0.745 nan 8.230 nan 0.000 0.542 513 Q N 3.884 123.536 119.800 -0.247 0.000 2.361 513 Q HA 0.411 4.751 4.340 -0.000 0.000 0.250 513 Q C 0.449 176.382 176.000 -0.111 0.000 1.023 513 Q CA 0.353 56.038 55.803 -0.197 0.000 0.915 513 Q CB 0.725 29.338 28.738 -0.208 0.000 1.238 513 Q HN 0.936 nan 8.270 nan 0.000 0.451 514 T N -0.312 114.202 114.554 -0.067 0.000 2.768 514 T HA 0.457 4.807 4.350 -0.000 0.000 0.268 514 T C 0.256 174.927 174.700 -0.048 0.000 0.969 514 T CA 0.120 62.181 62.100 -0.066 0.000 1.008 514 T CB 0.669 69.505 68.868 -0.054 0.000 1.371 514 T HN 0.539 nan 8.240 nan 0.000 0.587 515 D N -1.277 119.098 120.400 -0.042 0.000 2.379 515 D HA 0.113 4.753 4.640 -0.000 0.000 0.208 515 D C 1.766 178.048 176.300 -0.029 0.000 1.065 515 D CA -0.079 53.901 54.000 -0.033 0.000 0.848 515 D CB 0.071 40.855 40.800 -0.027 0.000 0.949 515 D HN 0.244 nan 8.370 nan 0.000 0.509 516 Q N 0.479 120.262 119.800 -0.027 0.000 2.269 516 Q HA 0.081 4.421 4.340 -0.000 0.000 0.201 516 Q C 0.666 176.646 176.000 -0.034 0.000 0.946 516 Q CA 0.549 56.340 55.803 -0.020 0.000 0.877 516 Q CB 0.621 29.354 28.738 -0.009 0.000 0.963 516 Q HN 0.468 nan 8.270 nan 0.000 0.472 517 V N -0.417 119.468 119.914 -0.049 0.000 2.398 517 V HA 0.487 4.607 4.120 -0.000 0.000 0.286 517 V C -2.519 173.463 176.094 -0.187 0.000 1.026 517 V CA -2.618 59.618 62.300 -0.106 0.000 0.868 517 V CB 1.026 32.813 31.823 -0.059 0.000 0.982 517 V HN -0.115 nan 8.190 nan 0.000 0.443 518 P HA 0.121 nan 4.420 nan 0.000 0.270 518 P C 0.874 177.888 177.300 -0.477 0.000 1.216 518 P CA 0.737 63.550 63.100 -0.479 0.000 0.788 518 P CB 0.643 31.769 31.700 -0.958 0.000 0.883 519 A N 2.307 124.953 122.820 -0.290 0.000 1.929 519 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 519 A C 1.719 179.257 177.584 -0.077 0.000 1.176 519 A CA 0.997 52.970 52.037 -0.106 0.000 0.628 519 A CB -1.295 17.718 19.000 0.021 0.000 0.816 519 A HN 0.841 nan 8.150 nan 0.000 0.444 520 W N -0.498 120.837 121.300 0.059 0.000 2.825 520 W HA 0.460 5.120 4.660 -0.000 0.000 0.243 520 W C 0.557 177.100 176.519 0.040 0.000 1.293 520 W CA -0.048 57.328 57.345 0.051 0.000 1.403 520 W CB -0.929 28.554 29.460 0.038 0.000 1.134 520 W HN 0.361 nan 8.180 nan 0.000 0.666 521 A N 1.947 124.433 122.820 -0.558 0.000 2.296 521 A HA 0.355 4.675 4.320 -0.000 0.000 0.264 521 A C 0.071 177.465 177.584 -0.317 0.000 1.097 521 A CA 0.011 51.749 52.037 -0.498 0.000 0.811 521 A CB 0.552 19.088 19.000 -0.773 0.000 1.072 521 A HN 0.213 nan 8.150 nan 0.000 0.495 522 D N -0.991 119.186 120.400 -0.371 0.000 2.801 522 D HA 0.492 5.132 4.640 -0.000 0.000 0.277 522 D C -0.187 175.702 176.300 -0.684 0.000 1.125 522 D CA -0.108 53.569 54.000 -0.538 0.000 1.102 522 D CB 1.120 41.829 40.800 -0.152 0.000 1.400 522 D HN 0.706 nan 8.370 nan 0.000 0.601 523 A N 0.279 122.832 122.820 -0.446 0.000 2.524 523 A HA 0.406 4.726 4.320 -0.000 0.000 0.271 523 A C 0.299 177.794 177.584 -0.149 0.000 1.097 523 A CA 0.373 52.292 52.037 -0.197 0.000 0.791 523 A CB -0.772 18.187 19.000 -0.068 0.000 1.028 523 A HN 0.509 nan 8.150 nan 0.000 0.518 524 A N 2.484 125.245 122.820 -0.100 0.000 2.239 524 A HA 0.552 4.872 4.320 -0.000 0.000 0.303 524 A C 0.332 177.907 177.584 -0.015 0.000 1.114 524 A CA -0.578 51.416 52.037 -0.071 0.000 0.871 524 A CB -0.068 18.904 19.000 -0.047 0.000 1.201 524 A HN 1.036 nan 8.150 nan 0.000 0.506 525 H N -0.443 118.499 119.070 -0.213 0.000 3.217 525 H HA 0.307 4.863 4.556 -0.000 0.000 0.272 525 H C 1.333 176.644 175.328 -0.028 0.000 0.929 525 H CA 1.236 57.141 56.048 -0.237 0.000 1.425 525 H CB -0.314 29.275 29.762 -0.288 0.000 1.505 525 H HN 1.458 nan 8.280 nan 0.000 0.542 526 G N 4.591 113.403 108.800 0.020 0.000 2.194 526 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.236 526 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.236 526 G C 1.119 176.243 174.900 0.373 0.000 0.987 526 G CA 0.274 45.465 45.100 0.152 0.000 0.635 526 G HN 0.625 nan 8.290 nan 0.000 0.520 527 D N 0.965 121.539 120.400 0.289 0.000 2.378 527 D HA -0.038 4.602 4.640 -0.000 0.000 0.222 527 D C 2.346 178.815 176.300 0.282 0.000 0.980 527 D CA 1.244 55.455 54.000 0.352 0.000 0.907 527 D CB 0.119 41.105 40.800 0.310 0.000 0.899 527 D HN 0.782 nan 8.370 nan 0.000 0.527 528 E N 0.686 120.915 120.200 0.049 0.000 2.250 528 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 528 E C 2.096 178.588 176.600 -0.180 0.000 0.986 528 E CA 0.299 56.469 56.400 -0.382 0.000 0.849 528 E CB -0.512 28.716 29.700 -0.788 0.000 0.797 528 E HN 0.043 nan 8.360 nan 0.000 0.482 529 V N 3.168 123.073 119.914 -0.016 0.000 2.278 529 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 529 V C -0.223 175.679 176.094 -0.321 0.000 1.062 529 V CA 2.615 64.867 62.300 -0.080 0.000 1.038 529 V CB -1.820 30.076 31.823 0.121 0.000 0.646 529 V HN 0.320 nan 8.190 nan 0.000 0.447 530 P HA -0.150 nan 4.420 nan 0.000 0.226 530 P C 1.173 178.120 177.300 -0.589 0.000 1.153 530 P CA 1.587 64.175 63.100 -0.853 0.000 0.777 530 P CB -0.089 31.054 31.700 -0.929 0.000 0.794 531 Y N -0.952 119.104 120.300 -0.406 0.000 2.448 531 Y HA 0.002 4.552 4.550 -0.000 0.000 0.289 531 Y C 2.485 178.119 175.900 -0.443 0.000 1.114 531 Y CA 0.127 58.015 58.100 -0.353 0.000 1.235 531 Y CB -0.351 38.016 38.460 -0.156 0.000 1.045 531 Y HN -0.276 nan 8.280 nan 0.000 0.554 532 V N 0.141 119.835 119.914 -0.367 0.000 2.951 532 V HA -0.164 3.956 4.120 -0.000 0.000 0.255 532 V C 1.531 177.426 176.094 -0.331 0.000 1.088 532 V CA 1.253 63.249 62.300 -0.507 0.000 1.109 532 V CB -0.201 31.271 31.823 -0.584 0.000 0.724 532 V HN 0.407 nan 8.190 nan 0.000 0.471 533 L N 0.287 121.300 121.223 -0.349 0.000 2.607 533 L HA 0.337 4.677 4.340 -0.000 0.000 0.228 533 L C 1.701 178.377 176.870 -0.324 0.000 1.123 533 L CA 0.731 55.384 54.840 -0.312 0.000 0.890 533 L CB -0.440 41.403 42.059 -0.361 0.000 1.103 533 L HN 0.505 nan 8.230 nan 0.000 0.468 534 G N 0.651 109.227 108.800 -0.373 0.000 2.203 534 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.263 534 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.263 534 G C 0.972 175.588 174.900 -0.474 0.000 1.012 534 G CA 0.312 45.174 45.100 -0.397 0.000 0.749 534 G HN 0.224 nan 8.290 nan 0.000 0.512 535 I N 0.924 121.134 120.570 -0.600 0.000 2.151 535 I HA -0.145 4.025 4.170 -0.000 0.000 0.243 535 I C 0.601 176.259 176.117 -0.766 0.000 1.080 535 I CA 2.070 62.993 61.300 -0.629 0.000 1.339 535 I CB -1.949 35.588 38.000 -0.771 0.000 1.039 535 I HN 0.145 nan 8.210 nan 0.000 0.409 536 P HA -0.174 nan 4.420 nan 0.000 0.217 536 P C 1.983 178.980 177.300 -0.506 0.000 1.148 536 P CA 1.524 63.946 63.100 -1.129 0.000 0.834 536 P CB -0.132 30.945 31.700 -1.037 0.000 0.783 537 M N -1.364 117.979 119.600 -0.428 0.000 2.630 537 M HA -0.004 4.476 4.480 -0.000 0.000 0.254 537 M C 1.344 177.534 176.300 -0.184 0.000 1.092 537 M CA 1.224 56.357 55.300 -0.279 0.000 1.087 537 M CB -0.465 31.956 32.600 -0.299 0.000 1.453 537 M HN 0.067 nan 8.290 nan 0.000 0.509 538 I N -3.433 117.028 120.570 -0.181 0.000 3.966 538 I HA 0.521 4.691 4.170 -0.000 0.000 0.324 538 I C 0.556 176.651 176.117 -0.037 0.000 1.517 538 I CA -0.570 60.675 61.300 -0.092 0.000 1.117 538 I CB -0.219 37.733 38.000 -0.080 0.000 1.190 538 I HN 0.184 nan 8.210 nan 0.000 0.466 539 G N 2.447 111.235 108.800 -0.021 0.000 2.916 539 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.533 539 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.533 539 G C -2.607 172.417 174.900 0.206 0.000 1.516 539 G CA -0.826 44.340 45.100 0.110 0.000 0.944 539 G HN 0.321 nan 8.290 nan 0.000 0.555 540 P HA 0.229 nan 4.420 nan 0.000 0.266 540 P C 0.644 178.036 177.300 0.154 0.000 1.180 540 P CA 1.278 64.501 63.100 0.205 0.000 0.765 540 P CB 0.483 32.202 31.700 0.033 0.000 0.806 541 T N -2.070 112.588 114.554 0.174 0.000 2.887 541 T HA 0.285 4.635 4.350 -0.000 0.000 0.292 541 T C 0.987 175.740 174.700 0.088 0.000 1.087 541 T CA -0.723 61.453 62.100 0.127 0.000 1.009 541 T CB 1.520 70.486 68.868 0.162 0.000 1.203 541 T HN 0.401 nan 8.240 nan 0.000 0.518 542 E N -0.364 119.873 120.200 0.061 0.000 2.118 542 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 542 E C 1.597 178.200 176.600 0.005 0.000 0.992 542 E CA 1.138 57.556 56.400 0.029 0.000 0.804 542 E CB -0.068 29.648 29.700 0.026 0.000 0.741 542 E HN 0.542 nan 8.360 nan 0.000 0.458 543 L N -0.251 120.974 121.223 0.003 0.000 2.034 543 L HA 0.032 4.372 4.340 -0.000 0.000 0.203 543 L C 0.369 177.008 176.870 -0.385 0.000 1.074 543 L CA 1.485 56.207 54.840 -0.196 0.000 0.748 543 L CB -0.110 41.791 42.059 -0.265 0.000 0.905 543 L HN 0.022 nan 8.230 nan 0.000 0.439 544 F N 1.475 121.401 119.950 -0.040 0.000 2.359 544 F HA 0.326 4.853 4.527 -0.000 0.000 0.355 544 F C -1.324 174.472 175.800 -0.006 0.000 1.132 544 F CA -1.920 56.079 58.000 -0.002 0.000 1.246 544 F CB 0.130 39.161 39.000 0.052 0.000 1.569 544 F HN 0.091 nan 8.300 nan 0.000 0.561 545 P HA -0.188 nan 4.420 nan 0.000 0.216 545 P C 1.000 178.199 177.300 -0.169 0.000 1.153 545 P CA 0.589 63.664 63.100 -0.042 0.000 0.848 545 P CB 0.054 31.726 31.700 -0.048 0.000 0.787 546 c N 2.105 120.548 118.600 -0.261 0.000 2.133 546 c HA -0.095 4.475 4.570 -0.000 0.000 0.391 546 c C 0.822 174.485 174.090 -0.711 0.000 1.507 546 c CA 0.089 56.129 56.329 -0.480 0.000 1.498 546 c CB -1.760 40.408 42.510 -0.570 0.000 2.583 546 c HN 0.248 nan 8.230 nan 0.000 0.570 547 N N 5.824 124.264 118.700 -0.434 0.000 2.968 547 N HA 0.260 5.000 4.740 -0.000 0.000 0.271 547 N C -0.548 174.814 175.510 -0.246 0.000 1.174 547 N CA -0.034 52.845 53.050 -0.286 0.000 1.096 547 N CB -0.293 38.112 38.487 -0.137 0.000 1.403 547 N HN 0.507 nan 8.380 nan 0.000 0.522 548 F N 0.593 120.522 119.950 -0.035 0.000 2.579 548 F HA -0.112 4.415 4.527 -0.000 0.000 0.397 548 F C 1.822 177.602 175.800 -0.032 0.000 1.027 548 F CA -0.198 57.773 58.000 -0.049 0.000 1.217 548 F CB -0.246 38.690 39.000 -0.107 0.000 0.986 548 F HN 0.198 nan 8.300 nan 0.000 0.551 549 S N 3.090 118.890 115.700 0.168 0.000 2.661 549 S HA 0.300 4.770 4.470 -0.000 0.000 0.265 549 S C 1.069 175.720 174.600 0.086 0.000 1.225 549 S CA -0.784 57.475 58.200 0.099 0.000 0.986 549 S CB 1.025 64.279 63.200 0.089 0.000 1.008 549 S HN 0.652 nan 8.310 nan 0.000 0.565 550 K N 0.515 120.944 120.400 0.049 0.000 2.211 550 K HA -0.033 4.287 4.320 -0.000 0.000 0.203 550 K C 1.832 178.443 176.600 0.018 0.000 1.050 550 K CA 1.055 57.355 56.287 0.022 0.000 0.945 550 K CB -0.326 32.181 32.500 0.013 0.000 0.732 550 K HN 0.472 nan 8.250 nan 0.000 0.451 551 N N 1.432 120.160 118.700 0.046 0.000 2.106 551 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 551 N C 1.267 176.808 175.510 0.052 0.000 1.029 551 N CA 1.186 54.257 53.050 0.036 0.000 0.848 551 N CB -0.196 38.328 38.487 0.062 0.000 1.007 551 N HN 0.191 nan 8.380 nan 0.000 0.423 552 D N 0.918 121.408 120.400 0.149 0.000 2.116 552 D HA -0.107 4.533 4.640 -0.000 0.000 0.193 552 D C 2.058 178.318 176.300 -0.067 0.000 0.998 552 D CA 0.816 54.935 54.000 0.198 0.000 0.836 552 D CB -0.241 40.734 40.800 0.292 0.000 0.951 552 D HN 0.046 nan 8.370 nan 0.000 0.449 553 V N 1.513 121.360 119.914 -0.111 0.000 2.515 553 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 553 V C 2.296 178.292 176.094 -0.164 0.000 1.058 553 V CA 0.976 63.151 62.300 -0.208 0.000 1.064 553 V CB -0.348 31.377 31.823 -0.163 0.000 0.675 553 V HN 0.230 nan 8.190 nan 0.000 0.461 554 M N -0.133 119.414 119.600 -0.088 0.000 2.064 554 M HA -0.109 4.371 4.480 -0.000 0.000 0.260 554 M C 2.210 178.476 176.300 -0.057 0.000 1.073 554 M CA 1.990 57.248 55.300 -0.071 0.000 1.124 554 M CB -0.754 31.822 32.600 -0.039 0.000 1.326 554 M HN 0.303 nan 8.290 nan 0.000 0.410 555 L N 0.021 121.230 121.223 -0.025 0.000 2.131 555 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 555 L C 2.406 179.329 176.870 0.089 0.000 1.092 555 L CA 1.996 56.850 54.840 0.023 0.000 0.759 555 L CB -0.701 41.338 42.059 -0.033 0.000 0.903 555 L HN 0.472 nan 8.230 nan 0.000 0.435 556 S N -0.431 115.280 115.700 0.019 0.000 2.382 556 S HA -0.139 4.331 4.470 -0.000 0.000 0.228 556 S C 2.098 176.603 174.600 -0.159 0.000 1.027 556 S CA 1.242 59.384 58.200 -0.097 0.000 0.991 556 S CB -0.036 62.941 63.200 -0.372 0.000 0.823 556 S HN 0.603 nan 8.310 nan 0.000 0.469 557 A N 0.860 123.559 122.820 -0.202 0.000 1.898 557 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 557 A C 2.306 179.891 177.584 0.001 0.000 1.181 557 A CA 1.604 53.501 52.037 -0.234 0.000 0.620 557 A CB -1.016 17.830 19.000 -0.258 0.000 0.819 557 A HN 0.460 nan 8.150 nan 0.000 0.442 558 V N -0.237 119.680 119.914 0.006 0.000 2.332 558 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 558 V C 2.517 178.678 176.094 0.111 0.000 1.055 558 V CA 2.098 64.410 62.300 0.020 0.000 1.038 558 V CB -1.077 30.790 31.823 0.072 0.000 0.651 558 V HN 0.353 nan 8.190 nan 0.000 0.450 559 V N -0.539 119.477 119.914 0.170 0.000 2.270 559 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 559 V C 2.455 178.665 176.094 0.193 0.000 1.043 559 V CA 2.414 64.834 62.300 0.199 0.000 1.014 559 V CB -0.554 31.204 31.823 -0.108 0.000 0.645 559 V HN 0.426 nan 8.190 nan 0.000 0.447 560 M N -0.307 119.337 119.600 0.073 0.000 2.106 560 M HA -0.208 4.272 4.480 -0.000 0.000 0.259 560 M C 2.225 178.688 176.300 0.272 0.000 1.068 560 M CA 2.221 57.616 55.300 0.158 0.000 1.100 560 M CB -1.023 31.700 32.600 0.206 0.000 1.351 560 M HN 0.391 nan 8.290 nan 0.000 0.404 561 T N -0.333 114.366 114.554 0.241 0.000 2.833 561 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 561 T C 1.424 176.197 174.700 0.120 0.000 1.054 561 T CA 1.231 63.390 62.100 0.098 0.000 1.135 561 T CB -0.301 68.559 68.868 -0.013 0.000 0.869 561 T HN 0.271 nan 8.240 nan 0.000 0.466 562 Y N -0.161 120.321 120.300 0.303 0.000 2.114 562 Y HA 0.031 4.581 4.550 -0.000 0.000 0.284 562 Y C 2.442 178.509 175.900 0.279 0.000 1.119 562 Y CA 0.108 58.406 58.100 0.329 0.000 1.108 562 Y CB -0.770 38.037 38.460 0.579 0.000 0.995 562 Y HN 0.223 nan 8.280 nan 0.000 0.491 563 W N 0.828 122.246 121.300 0.197 0.000 2.290 563 W HA -0.338 4.322 4.660 -0.000 0.000 0.318 563 W C 2.566 179.112 176.519 0.044 0.000 1.248 563 W CA 2.557 59.934 57.345 0.054 0.000 1.263 563 W CB -0.861 28.589 29.460 -0.016 0.000 1.147 563 W HN 0.292 nan 8.180 nan 0.000 0.494 564 T N -1.972 112.734 114.554 0.253 0.000 2.770 564 T HA -0.173 4.177 4.350 -0.000 0.000 0.263 564 T C 1.469 176.197 174.700 0.047 0.000 1.039 564 T CA 1.484 63.640 62.100 0.094 0.000 1.142 564 T CB -0.777 68.116 68.868 0.041 0.000 0.868 564 T HN -0.092 nan 8.240 nan 0.000 0.435 565 N N 1.105 119.846 118.700 0.068 0.000 2.061 565 N HA -0.056 4.684 4.740 -0.000 0.000 0.193 565 N C 1.341 176.849 175.510 -0.004 0.000 1.030 565 N CA 1.302 54.368 53.050 0.026 0.000 0.856 565 N CB -0.850 37.670 38.487 0.056 0.000 1.023 565 N HN 0.466 nan 8.380 nan 0.000 0.424 566 F N 1.426 121.289 119.950 -0.145 0.000 2.046 566 F HA -0.169 4.358 4.527 -0.000 0.000 0.297 566 F C 2.176 177.870 175.800 -0.177 0.000 1.123 566 F CA 1.686 59.534 58.000 -0.254 0.000 1.199 566 F CB -0.787 37.966 39.000 -0.411 0.000 0.972 566 F HN 0.066 nan 8.300 nan 0.000 0.474 567 A N -0.166 122.562 122.820 -0.152 0.000 2.024 567 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 567 A C 2.224 179.692 177.584 -0.193 0.000 1.164 567 A CA 1.967 53.882 52.037 -0.203 0.000 0.643 567 A CB -0.668 18.276 19.000 -0.094 0.000 0.806 567 A HN 0.529 nan 8.150 nan 0.000 0.451 568 K N -1.388 118.924 120.400 -0.146 0.000 2.021 568 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 568 K C 2.121 178.639 176.600 -0.137 0.000 1.047 568 K CA 1.772 57.992 56.287 -0.112 0.000 0.943 568 K CB -0.155 32.301 32.500 -0.073 0.000 0.725 568 K HN 0.652 nan 8.250 nan 0.000 0.439 569 T N -4.196 110.259 114.554 -0.165 0.000 2.959 569 T HA 0.226 4.576 4.350 -0.000 0.000 0.254 569 T C 1.129 175.695 174.700 -0.223 0.000 1.003 569 T CA 0.470 62.479 62.100 -0.152 0.000 0.950 569 T CB 1.062 69.878 68.868 -0.086 0.000 1.090 569 T HN 0.321 nan 8.240 nan 0.000 0.503 570 G N 1.255 109.802 108.800 -0.423 0.000 2.130 570 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.216 570 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.216 570 G C -0.441 174.341 174.900 -0.197 0.000 0.999 570 G CA 0.064 44.830 45.100 -0.557 0.000 0.686 570 G HN 0.846 nan 8.290 nan 0.000 0.515 571 D N -0.694 119.609 120.400 -0.161 0.000 2.764 571 D HA 0.399 5.039 4.640 -0.000 0.000 0.227 571 D C -1.322 174.885 176.300 -0.154 0.000 1.347 571 D CA -1.358 52.559 54.000 -0.139 0.000 0.953 571 D CB 1.998 42.806 40.800 0.013 0.000 1.476 571 D HN -0.025 nan 8.370 nan 0.000 0.585 572 P HA -0.065 nan 4.420 nan 0.000 0.231 572 P C 0.206 177.633 177.300 0.211 0.000 1.158 572 P CA 0.789 63.833 63.100 -0.093 0.000 0.763 572 P CB 0.376 31.764 31.700 -0.520 0.000 0.805 573 N N -1.646 117.125 118.700 0.119 0.000 2.356 573 N HA 0.024 4.764 4.740 -0.000 0.000 0.178 573 N C 0.484 176.046 175.510 0.086 0.000 1.075 573 N CA 0.028 53.180 53.050 0.171 0.000 0.889 573 N CB 0.159 38.766 38.487 0.200 0.000 0.999 573 N HN 0.085 nan 8.380 nan 0.000 0.464 574 Q N 0.183 120.010 119.800 0.045 0.000 2.309 574 Q HA 0.271 4.611 4.340 -0.000 0.000 0.264 574 Q C -1.933 174.064 176.000 -0.005 0.000 1.008 574 Q CA -1.898 53.916 55.803 0.019 0.000 0.853 574 Q CB 2.220 30.966 28.738 0.014 0.000 1.314 574 Q HN 0.056 nan 8.270 nan 0.000 0.448 575 P HA -0.002 nan 4.420 nan 0.000 0.221 575 P C 0.673 177.967 177.300 -0.011 0.000 1.152 575 P CA 0.270 63.364 63.100 -0.010 0.000 0.851 575 P CB 0.632 32.320 31.700 -0.020 0.000 0.833 593 V N -0.569 119.412 119.914 0.112 0.000 2.525 593 V HA 0.962 5.082 4.120 -0.000 0.000 0.299 593 V C -0.360 175.865 176.094 0.219 0.000 1.034 593 V CA -0.956 61.429 62.300 0.142 0.000 0.863 593 V CB 1.672 33.578 31.823 0.139 0.000 0.999 593 V HN 0.226 nan 8.190 nan 0.000 0.423 594 A N 5.021 127.963 122.820 0.204 0.000 2.260 594 A HA 0.572 4.892 4.320 -0.000 0.000 0.314 594 A C -0.526 177.261 177.584 0.339 0.000 1.257 594 A CA -0.463 51.734 52.037 0.267 0.000 0.871 594 A CB 0.624 19.744 19.000 0.200 0.000 1.166 594 A HN 1.129 nan 8.150 nan 0.000 0.522 595 W N 5.418 126.835 121.300 0.195 0.000 2.429 595 W HA 0.223 4.883 4.660 -0.000 0.000 0.431 595 W C -0.288 176.394 176.519 0.271 0.000 1.038 595 W CA -0.243 57.202 57.345 0.167 0.000 1.635 595 W CB -0.666 28.821 29.460 0.045 0.000 1.721 595 W HN 0.683 nan 8.180 nan 0.000 0.366 596 T N 5.589 120.443 114.554 0.500 0.000 2.791 596 T HA 0.124 4.474 4.350 -0.000 0.000 0.323 596 T C 0.829 175.709 174.700 0.300 0.000 1.082 596 T CA -0.214 62.082 62.100 0.327 0.000 1.084 596 T CB 0.817 69.793 68.868 0.180 0.000 0.992 596 T HN 0.125 nan 8.240 nan 0.000 0.547 597 R N 0.428 120.955 120.500 0.044 0.000 2.539 597 R HA 0.170 4.510 4.340 -0.000 0.000 0.275 597 R C -0.598 175.679 176.300 -0.038 0.000 1.077 597 R CA -0.397 55.560 56.100 -0.239 0.000 1.097 597 R CB 0.413 30.523 30.300 -0.316 0.000 1.018 597 R HN 0.618 nan 8.270 nan 0.000 0.483 598 Y N 1.574 121.796 120.300 -0.130 0.000 2.336 598 Y HA 0.103 4.653 4.550 -0.000 0.000 0.335 598 Y C -0.233 175.660 175.900 -0.011 0.000 1.046 598 Y CA -0.122 57.986 58.100 0.014 0.000 1.198 598 Y CB 0.730 39.262 38.460 0.121 0.000 1.182 598 Y HN 0.583 nan 8.280 nan 0.000 0.502 599 S N 3.756 119.346 115.700 -0.184 0.000 2.570 599 S HA 0.232 4.702 4.470 -0.000 0.000 0.286 599 S C 0.439 174.940 174.600 -0.166 0.000 1.099 599 S CA -0.899 57.276 58.200 -0.041 0.000 0.913 599 S CB 1.923 65.084 63.200 -0.064 0.000 1.085 599 S HN 0.851 nan 8.310 nan 0.000 0.480 600 Q N 1.153 120.976 119.800 0.039 0.000 2.170 600 Q HA -0.107 4.233 4.340 -0.000 0.000 0.203 600 Q C 1.868 177.862 176.000 -0.010 0.000 0.976 600 Q CA 1.597 57.437 55.803 0.061 0.000 0.858 600 Q CB -0.138 28.660 28.738 0.100 0.000 0.907 600 Q HN 0.811 nan 8.270 nan 0.000 0.433 601 K N -0.658 119.725 120.400 -0.029 0.000 2.217 601 K HA -0.125 4.195 4.320 -0.000 0.000 0.202 601 K C 0.486 177.077 176.600 -0.015 0.000 1.051 601 K CA 1.587 57.873 56.287 -0.003 0.000 0.952 601 K CB 0.358 32.855 32.500 -0.005 0.000 0.736 601 K HN 0.233 nan 8.250 nan 0.000 0.453 602 D N -0.253 120.049 120.400 -0.162 0.000 2.489 602 D HA -0.007 4.633 4.640 -0.000 0.000 0.231 602 D C -0.433 175.502 176.300 -0.609 0.000 1.114 602 D CA 0.069 53.891 54.000 -0.297 0.000 0.842 602 D CB 0.598 41.279 40.800 -0.197 0.000 1.133 602 D HN 0.136 nan 8.370 nan 0.000 0.506 603 Q N 1.072 120.476 119.800 -0.660 0.000 2.423 603 Q HA -0.178 4.161 4.340 -0.000 0.000 0.332 603 Q C -0.375 175.315 176.000 -0.515 0.000 1.355 603 Q CA 0.304 55.517 55.803 -0.984 0.000 0.947 603 Q CB -1.584 26.843 28.738 -0.519 0.000 1.189 603 Q HN 0.398 nan 8.270 nan 0.000 0.418 604 L N 1.854 122.868 121.223 -0.348 0.000 2.410 604 L HA 0.295 4.635 4.340 -0.000 0.000 0.273 604 L C 0.251 177.276 176.870 0.258 0.000 1.144 604 L CA -0.317 54.499 54.840 -0.040 0.000 0.863 604 L CB -0.106 41.939 42.059 -0.024 0.000 1.140 604 L HN 0.228 nan 8.230 nan 0.000 0.463 605 Y N 2.428 122.831 120.300 0.172 0.000 2.536 605 Y HA 0.651 5.201 4.550 -0.000 0.000 0.347 605 Y C -0.980 174.990 175.900 0.117 0.000 1.000 605 Y CA -1.945 56.344 58.100 0.315 0.000 1.051 605 Y CB 1.294 39.974 38.460 0.367 0.000 1.259 605 Y HN 0.337 nan 8.280 nan 0.000 0.468 606 L N 4.340 125.500 121.223 -0.105 0.000 2.260 606 L HA 0.288 4.628 4.340 -0.000 0.000 0.289 606 L C -0.315 176.461 176.870 -0.156 0.000 1.057 606 L CA -0.191 54.358 54.840 -0.484 0.000 0.811 606 L CB 0.084 41.297 42.059 -1.410 0.000 1.184 606 L HN 0.875 nan 8.230 nan 0.000 0.429 607 H N 7.044 125.998 119.070 -0.193 0.000 3.109 607 H HA 0.206 4.762 4.556 -0.000 0.000 0.266 607 H C -0.464 174.874 175.328 0.016 0.000 1.334 607 H CA -0.208 55.863 56.048 0.039 0.000 1.456 607 H CB 0.027 29.767 29.762 -0.036 0.000 1.587 607 H HN 0.594 nan 8.280 nan 0.000 0.500 608 I N 5.165 125.737 120.570 0.004 0.000 2.421 608 I HA 0.175 4.345 4.170 -0.000 0.000 0.291 608 I C 1.082 177.152 176.117 -0.080 0.000 1.089 608 I CA 0.441 61.757 61.300 0.027 0.000 1.354 608 I CB 0.816 38.929 38.000 0.189 0.000 1.413 608 I HN 0.630 nan 8.210 nan 0.000 0.513 609 G N 4.806 113.591 108.800 -0.025 0.000 2.694 609 G HA2 0.326 4.286 3.960 -0.000 0.000 0.246 609 G HA3 0.326 4.286 3.960 -0.000 0.000 0.246 609 G C 0.072 174.916 174.900 -0.094 0.000 1.205 609 G CA -0.590 44.471 45.100 -0.066 0.000 0.891 609 G HN 0.401 nan 8.290 nan 0.000 0.515 610 L N -0.441 120.748 121.223 -0.056 0.000 2.492 610 L HA 0.224 4.564 4.340 -0.000 0.000 0.223 610 L C 0.601 177.462 176.870 -0.015 0.000 1.132 610 L CA 0.845 55.637 54.840 -0.079 0.000 0.850 610 L CB 0.023 42.063 42.059 -0.032 0.000 0.966 610 L HN 0.202 nan 8.230 nan 0.000 0.454 611 K N -0.374 120.037 120.400 0.019 0.000 3.163 611 K HA 0.262 4.582 4.320 -0.000 0.000 0.186 611 K C -2.467 174.154 176.600 0.034 0.000 1.111 611 K CA -1.631 54.665 56.287 0.015 0.000 0.918 611 K CB -0.005 32.490 32.500 -0.008 0.000 1.059 611 K HN -0.161 nan 8.250 nan 0.000 0.558 612 P HA -0.105 nan 4.420 nan 0.000 0.263 612 P C -0.543 176.771 177.300 0.023 0.000 1.168 612 P CA 0.432 63.567 63.100 0.059 0.000 0.759 612 P CB 0.472 32.227 31.700 0.091 0.000 0.782 613 R N 0.167 120.660 120.500 -0.011 0.000 2.725 613 R HA 0.386 4.726 4.340 -0.000 0.000 0.254 613 R C -1.851 174.376 176.300 -0.120 0.000 1.076 613 R CA -0.963 55.106 56.100 -0.053 0.000 0.940 613 R CB 0.238 30.498 30.300 -0.066 0.000 1.260 613 R HN 0.058 nan 8.270 nan 0.000 0.466 614 V N 3.285 123.124 119.914 -0.124 0.000 2.508 614 V HA 0.285 4.405 4.120 -0.000 0.000 0.281 614 V C 0.251 176.193 176.094 -0.253 0.000 1.041 614 V CA 0.021 62.203 62.300 -0.196 0.000 1.016 614 V CB 0.794 32.569 31.823 -0.080 0.000 0.984 614 V HN 0.677 nan 8.190 nan 0.000 0.478 615 K N 3.487 123.586 120.400 -0.502 0.000 2.313 615 K HA 0.673 4.993 4.320 -0.000 0.000 0.235 615 K C -0.467 175.949 176.600 -0.308 0.000 1.035 615 K CA -0.896 55.152 56.287 -0.399 0.000 0.868 615 K CB 2.295 34.552 32.500 -0.405 0.000 1.232 615 K HN 0.884 nan 8.250 nan 0.000 0.459 616 E N 0.201 120.408 120.200 0.013 0.000 2.299 616 E HA 0.278 4.628 4.350 -0.000 0.000 0.265 616 E C -1.017 175.744 176.600 0.269 0.000 0.911 616 E CA -0.815 55.607 56.400 0.037 0.000 0.789 616 E CB 1.129 30.736 29.700 -0.155 0.000 1.246 616 E HN 0.545 nan 8.360 nan 0.000 0.427 617 H N 0.351 119.557 119.070 0.227 0.000 2.631 617 H HA -0.240 4.316 4.556 -0.000 0.000 0.322 617 H C -0.996 174.412 175.328 0.132 0.000 1.035 617 H CA 0.692 56.816 56.048 0.125 0.000 1.070 617 H CB -1.901 27.898 29.762 0.062 0.000 1.622 617 H HN 0.542 nan 8.280 nan 0.000 0.373 618 Y N 2.904 123.146 120.300 -0.097 0.000 2.717 618 Y HA -0.055 4.495 4.550 -0.000 0.000 0.330 618 Y C 1.346 177.201 175.900 -0.075 0.000 1.217 618 Y CA 0.461 58.341 58.100 -0.366 0.000 1.506 618 Y CB 0.385 38.303 38.460 -0.903 0.000 1.268 618 Y HN 0.525 nan 8.280 nan 0.000 0.561 619 R N 3.154 123.291 120.500 -0.605 0.000 3.424 619 R HA -0.334 4.006 4.340 -0.000 0.000 0.247 619 R C 1.467 177.684 176.300 -0.138 0.000 1.000 619 R CA 0.387 56.251 56.100 -0.393 0.000 0.672 619 R CB -1.725 28.261 30.300 -0.523 0.000 1.042 619 R HN 0.828 nan 8.270 nan 0.000 0.470 620 A N 0.670 123.458 122.820 -0.054 0.000 1.985 620 A HA -0.374 3.946 4.320 -0.000 0.000 0.223 620 A C 1.864 179.426 177.584 -0.037 0.000 1.189 620 A CA 2.273 54.301 52.037 -0.014 0.000 0.658 620 A CB -0.434 18.552 19.000 -0.024 0.000 0.820 620 A HN 0.584 nan 8.150 nan 0.000 0.464 621 N N -0.711 117.953 118.700 -0.060 0.000 2.028 621 N HA -0.125 4.615 4.740 -0.000 0.000 0.194 621 N C 1.761 177.222 175.510 -0.081 0.000 1.050 621 N CA 1.739 54.744 53.050 -0.075 0.000 0.848 621 N CB -0.135 38.296 38.487 -0.094 0.000 1.038 621 N HN 0.328 nan 8.380 nan 0.000 0.423 622 K N 0.327 120.681 120.400 -0.075 0.000 2.057 622 K HA -0.022 4.298 4.320 -0.000 0.000 0.207 622 K C 2.059 178.722 176.600 0.105 0.000 1.049 622 K CA 0.648 56.909 56.287 -0.044 0.000 0.931 622 K CB -0.936 31.620 32.500 0.093 0.000 0.714 622 K HN 0.107 nan 8.250 nan 0.000 0.440 623 V N 2.685 122.682 119.914 0.138 0.000 2.370 623 V HA -0.267 3.853 4.120 -0.000 0.000 0.252 623 V C 2.254 178.437 176.094 0.149 0.000 1.068 623 V CA 1.782 64.192 62.300 0.183 0.000 1.061 623 V CB -0.534 31.353 31.823 0.106 0.000 0.656 623 V HN 0.406 nan 8.190 nan 0.000 0.455 624 N N -0.233 118.505 118.700 0.062 0.000 2.300 624 N HA -0.078 4.662 4.740 -0.000 0.000 0.179 624 N C 1.831 177.350 175.510 0.015 0.000 1.016 624 N CA 1.169 54.243 53.050 0.040 0.000 0.876 624 N CB 0.056 38.542 38.487 -0.001 0.000 0.979 624 N HN 0.471 nan 8.380 nan 0.000 0.432 625 L N 0.080 121.252 121.223 -0.086 0.000 2.042 625 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 625 L C 1.720 178.493 176.870 -0.161 0.000 1.076 625 L CA 1.694 56.395 54.840 -0.231 0.000 0.749 625 L CB -0.716 41.038 42.059 -0.509 0.000 0.893 625 L HN 0.202 nan 8.230 nan 0.000 0.432 626 W N -0.965 120.388 121.300 0.089 0.000 2.494 626 W HA 0.073 4.733 4.660 -0.000 0.000 0.286 626 W C 2.174 178.715 176.519 0.037 0.000 1.218 626 W CA 0.249 57.644 57.345 0.082 0.000 1.313 626 W CB -0.040 29.452 29.460 0.053 0.000 1.105 626 W HN 0.042 nan 8.180 nan 0.000 0.561 627 L N -0.413 120.963 121.223 0.255 0.000 2.477 627 L HA 0.073 4.413 4.340 -0.000 0.000 0.220 627 L C 2.132 179.077 176.870 0.124 0.000 1.106 627 L CA 0.584 55.511 54.840 0.146 0.000 0.851 627 L CB -0.249 41.875 42.059 0.109 0.000 0.994 627 L HN -0.102 nan 8.230 nan 0.000 0.462 628 E N -0.304 119.980 120.200 0.140 0.000 2.307 628 E HA 0.043 4.393 4.350 -0.000 0.000 0.192 628 E C 1.752 178.511 176.600 0.265 0.000 0.967 628 E CA 0.265 56.773 56.400 0.180 0.000 1.042 628 E CB -0.266 29.513 29.700 0.131 0.000 1.126 628 E HN 0.095 nan 8.360 nan 0.000 0.484 629 L N 1.420 122.725 121.223 0.137 0.000 1.988 629 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 629 L C 2.320 179.261 176.870 0.118 0.000 1.071 629 L CA 1.400 56.303 54.840 0.104 0.000 0.744 629 L CB -0.704 41.347 42.059 -0.013 0.000 0.893 629 L HN -0.061 nan 8.230 nan 0.000 0.433 630 V N 0.501 120.458 119.914 0.071 0.000 2.313 630 V HA -0.279 3.841 4.120 -0.000 0.000 0.253 630 V C -0.106 176.073 176.094 0.142 0.000 1.070 630 V CA 2.540 64.894 62.300 0.090 0.000 1.057 630 V CB -1.896 30.040 31.823 0.189 0.000 0.653 630 V HN 0.397 nan 8.190 nan 0.000 0.450 631 P HA -0.094 nan 4.420 nan 0.000 0.214 631 P C 1.452 178.791 177.300 0.065 0.000 1.162 631 P CA 1.439 64.588 63.100 0.080 0.000 0.874 631 P CB -0.129 31.573 31.700 0.005 0.000 0.784 632 H N -1.153 117.956 119.070 0.065 0.000 2.394 632 H HA -0.126 4.430 4.556 -0.000 0.000 0.297 632 H C 1.853 177.213 175.328 0.052 0.000 1.113 632 H CA 1.243 57.321 56.048 0.048 0.000 1.277 632 H CB -0.808 28.969 29.762 0.025 0.000 1.370 632 H HN 0.050 nan 8.280 nan 0.000 0.506 633 L N -0.919 120.411 121.223 0.179 0.000 2.049 633 L HA -0.144 4.196 4.340 -0.000 0.000 0.203 633 L C 2.258 179.199 176.870 0.118 0.000 1.074 633 L CA 1.029 55.936 54.840 0.112 0.000 0.749 633 L CB -0.468 41.633 42.059 0.070 0.000 0.907 633 L HN 0.434 nan 8.230 nan 0.000 0.439 634 H N 0.404 119.500 119.070 0.043 0.000 2.567 634 H HA -0.081 4.475 4.556 -0.000 0.000 0.281 634 H C 0.438 175.794 175.328 0.047 0.000 1.055 634 H CA 0.573 56.653 56.048 0.053 0.000 1.185 634 H CB -0.159 29.660 29.762 0.096 0.000 1.325 634 H HN 0.250 nan 8.280 nan 0.000 0.622 635 N N 0.008 118.806 118.700 0.163 0.000 2.389 635 N HA 0.243 4.983 4.740 -0.000 0.000 0.260 635 N C -1.055 174.496 175.510 0.068 0.000 1.191 635 N CA -0.149 52.966 53.050 0.108 0.000 0.885 635 N CB 0.372 38.900 38.487 0.068 0.000 1.162 635 N HN 0.171 nan 8.380 nan 0.000 0.512 636 L N 0.000 121.249 121.223 0.043 0.000 2.949 636 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 636 L CA 0.000 54.853 54.840 0.021 0.000 0.813 636 L CB 0.000 42.074 42.059 0.025 0.000 0.961 636 L HN 0.000 nan 8.230 nan 0.000 0.502