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 1j0h_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRKEAIYHRP ADNFAYAYDS ETLHLRLRTK KDDIDRVELL HGDPYDWQNG DATA SEQUENCE AWQFQMMPMR KTGSDELFDY WFAEVKPPYR RLRYGFVLYS GEEKLVYTEK DATA SEQUENCE GFYFEVPTDD TAYYFCFPFL HRVDLFEAPD WVKDTVWYQI FPERFANGNP DATA SEQUENCE SISPEGSRPW GSEDPTPTSF FGGDLQGIID HLDYLVDLGI TGIYLTPIFR DATA SEQUENCE SPSNHKYDTA DYFEVDPHFG DKETLKTLID RCHEKGIRVM LDAVFNHCGY DATA SEQUENCE EFAPFQDVWK NGESSKYKDW FHIHEFPLQT EPRPNYDTFA FVPQMPKLNT DATA SEQUENCE ANPEVKRYLL DVATYWIREF DIDGWRLDVA NEIDHEFWRE FRQEVKALKP DATA SEQUENCE DVYILGEIWH DAMPWLRGDQ FDAVMNYPFT DGVLRFFAKE EISARQFANQ DATA SEQUENCE MMHVLHSYPN NVNEAAFNLL GSHDTSRILT VCGGDIRKVK LLFLFQLTFT DATA SEQUENCE GSPCIYYGDE IGMTGGNDPE CRKCMVWDPM QQNKELHQHV KQLIALRKQY DATA SEQUENCE RSLRRGEISF LHADDEMNYL IYKKTDGDET VLVIINRSDQ KADIPIPLDA DATA SEQUENCE RGTWLVNLLT GERFAAEAET LCTSLPPYGF VLYAIEHW 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.261 176.300 -0.064 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.583 32.600 -0.029 0.000 1.302 2 R N 1.926 122.394 120.500 -0.053 0.000 2.287 2 R HA 0.313 4.644 4.340 -0.015 0.000 0.327 2 R C 0.462 176.685 176.300 -0.127 0.000 1.109 2 R CA -0.386 55.669 56.100 -0.074 0.000 1.013 2 R CB 0.826 31.113 30.300 -0.021 0.000 1.126 2 R HN 0.606 nan 8.270 nan 0.000 0.503 3 K N 1.794 122.032 120.400 -0.270 0.000 2.152 3 K HA -0.191 4.120 4.320 -0.015 0.000 0.206 3 K C 1.558 178.054 176.600 -0.174 0.000 1.048 3 K CA 1.381 57.386 56.287 -0.469 0.000 0.933 3 K CB 0.227 32.157 32.500 -0.950 0.000 0.721 3 K HN 0.572 nan 8.250 nan 0.000 0.447 4 E N 0.598 120.745 120.200 -0.090 0.000 2.409 4 E HA -0.129 4.213 4.350 -0.015 0.000 0.198 4 E C 1.230 177.861 176.600 0.052 0.000 1.024 4 E CA 1.126 57.528 56.400 0.004 0.000 0.861 4 E CB 0.051 29.755 29.700 0.006 0.000 0.788 4 E HN 0.269 nan 8.360 nan 0.000 0.521 5 A N 1.017 123.869 122.820 0.053 0.000 2.390 5 A HA 0.308 4.619 4.320 -0.015 0.000 0.232 5 A C 0.974 178.580 177.584 0.037 0.000 1.233 5 A CA -0.447 51.672 52.037 0.137 0.000 0.907 5 A CB 0.094 19.226 19.000 0.219 0.000 0.967 5 A HN 0.117 nan 8.150 nan 0.000 0.512 6 I N 0.196 120.748 120.570 -0.029 0.000 2.342 6 I HA 0.379 4.540 4.170 -0.015 0.000 0.291 6 I C -0.580 175.430 176.117 -0.178 0.000 1.010 6 I CA -0.415 60.786 61.300 -0.165 0.000 1.308 6 I CB 0.797 38.642 38.000 -0.258 0.000 1.400 6 I HN 0.310 nan 8.210 nan 0.000 0.488 7 Y N 6.212 126.312 120.300 -0.332 0.000 2.513 7 Y HA 0.558 5.099 4.550 -0.014 0.000 0.340 7 Y C -1.171 174.570 175.900 -0.266 0.000 1.055 7 Y CA -0.839 57.118 58.100 -0.239 0.000 1.020 7 Y CB 1.675 39.947 38.460 -0.313 0.000 1.301 7 Y HN 0.652 nan 8.280 nan 0.000 0.453 8 H N 3.937 122.319 119.070 -1.146 0.000 3.112 8 H HA 0.623 5.171 4.556 -0.013 0.000 0.347 8 H C -1.882 172.663 175.328 -1.306 0.000 1.188 8 H CA -0.767 54.529 56.048 -1.254 0.000 1.240 8 H CB 1.349 30.714 29.762 -0.662 0.000 1.920 8 H HN 0.804 nan 8.280 nan 0.000 0.535 9 R N 4.614 124.104 120.500 -1.683 0.000 2.515 9 R HA 0.302 4.633 4.340 -0.015 0.000 0.278 9 R C -2.894 173.056 176.300 -0.582 0.000 1.107 9 R CA -2.041 53.567 56.100 -0.820 0.000 0.945 9 R CB 1.781 31.819 30.300 -0.437 0.000 1.219 9 R HN 0.436 nan 8.270 nan 0.000 0.434 10 P HA -0.016 nan 4.420 nan 0.000 0.188 10 P C -1.200 176.233 177.300 0.221 0.000 1.353 10 P CA 0.801 64.028 63.100 0.212 0.000 1.027 10 P CB 0.104 31.998 31.700 0.323 0.000 1.709 11 A N -0.106 122.850 122.820 0.227 0.000 2.361 11 A HA 0.425 4.736 4.320 -0.015 0.000 0.297 11 A C -0.450 177.321 177.584 0.313 0.000 1.036 11 A CA -0.398 51.798 52.037 0.266 0.000 0.589 11 A CB 0.130 19.235 19.000 0.175 0.000 1.418 11 A HN 0.216 nan 8.150 nan 0.000 0.539 12 D N -0.276 120.284 120.400 0.267 0.000 3.740 12 D HA -0.285 4.347 4.640 -0.015 0.000 0.147 12 D C 0.896 177.345 176.300 0.249 0.000 0.885 12 D CA 1.905 56.045 54.000 0.233 0.000 1.051 12 D CB -0.839 40.104 40.800 0.237 0.000 0.480 12 D HN 0.986 nan 8.370 nan 0.000 0.469 13 N N 1.104 119.916 118.700 0.188 0.000 2.463 13 N HA -0.036 4.695 4.740 -0.015 0.000 0.181 13 N C 1.760 177.345 175.510 0.124 0.000 1.078 13 N CA 0.735 53.827 53.050 0.070 0.000 0.902 13 N CB -0.411 37.993 38.487 -0.137 0.000 0.970 13 N HN 0.351 nan 8.380 nan 0.000 0.451 14 F N 0.997 121.128 119.950 0.302 0.000 2.530 14 F HA 0.413 4.931 4.527 -0.016 0.000 0.292 14 F C 1.111 177.107 175.800 0.328 0.000 1.109 14 F CA 0.287 58.436 58.000 0.248 0.000 1.450 14 F CB 0.330 39.258 39.000 -0.120 0.000 1.114 14 F HN 0.075 nan 8.300 nan 0.000 0.560 15 A N -0.131 122.988 122.820 0.499 0.000 2.466 15 A HA 0.635 4.946 4.320 -0.015 0.000 0.284 15 A C -1.755 176.102 177.584 0.456 0.000 1.049 15 A CA -0.476 51.788 52.037 0.377 0.000 0.760 15 A CB 0.145 19.465 19.000 0.534 0.000 1.274 15 A HN 0.267 nan 8.150 nan 0.000 0.412 16 Y N -0.819 119.600 120.300 0.199 0.000 2.641 16 Y HA 0.777 5.319 4.550 -0.014 0.000 0.333 16 Y C -0.245 175.645 175.900 -0.017 0.000 1.174 16 Y CA -0.930 57.294 58.100 0.207 0.000 1.057 16 Y CB 0.852 39.424 38.460 0.187 0.000 1.322 16 Y HN 1.163 nan 8.280 nan 0.000 0.457 17 A N 1.843 124.773 122.820 0.185 0.000 2.362 17 A HA 0.344 4.655 4.320 -0.015 0.000 0.276 17 A C -0.376 177.297 177.584 0.149 0.000 1.153 17 A CA -0.338 51.711 52.037 0.021 0.000 0.813 17 A CB -0.134 18.946 19.000 0.134 0.000 1.081 17 A HN 0.969 nan 8.150 nan 0.000 0.507 18 Y N 2.164 122.357 120.300 -0.179 0.000 2.365 18 Y HA 0.117 4.659 4.550 -0.014 0.000 0.293 18 Y C 0.346 176.222 175.900 -0.039 0.000 1.119 18 Y CA 1.581 59.568 58.100 -0.188 0.000 1.203 18 Y CB 0.352 38.416 38.460 -0.660 0.000 1.026 18 Y HN 0.825 nan 8.280 nan 0.000 0.549 19 D N -3.185 117.196 120.400 -0.032 0.000 2.759 19 D HA 0.112 4.743 4.640 -0.015 0.000 0.321 19 D C 0.842 177.143 176.300 0.001 0.000 1.267 19 D CA 0.139 54.109 54.000 -0.050 0.000 0.933 19 D CB 0.371 41.153 40.800 -0.029 0.000 1.431 19 D HN -0.073 nan 8.370 nan 0.000 0.504 20 S N -0.721 114.984 115.700 0.009 0.000 2.420 20 S HA -0.244 4.217 4.470 -0.015 0.000 0.237 20 S C 0.824 175.418 174.600 -0.010 0.000 1.023 20 S CA 1.566 59.778 58.200 0.020 0.000 0.991 20 S CB -0.594 62.622 63.200 0.027 0.000 0.792 20 S HN 0.616 nan 8.310 nan 0.000 0.488 21 E N -0.002 120.186 120.200 -0.021 0.000 2.572 21 E HA 0.161 4.502 4.350 -0.015 0.000 0.220 21 E C -0.531 176.026 176.600 -0.072 0.000 0.945 21 E CA 0.039 56.407 56.400 -0.054 0.000 1.070 21 E CB 1.061 30.735 29.700 -0.042 0.000 1.090 21 E HN 0.377 nan 8.360 nan 0.000 0.506 22 T N 1.797 116.324 114.554 -0.046 0.000 2.807 22 T HA 0.492 4.833 4.350 -0.015 0.000 0.279 22 T C -0.268 174.353 174.700 -0.132 0.000 0.993 22 T CA -0.517 61.550 62.100 -0.056 0.000 0.970 22 T CB 1.618 70.521 68.868 0.058 0.000 0.950 22 T HN -0.030 nan 8.240 nan 0.000 0.441 23 L N 2.689 123.771 121.223 -0.236 0.000 2.331 23 L HA 0.540 4.872 4.340 -0.015 0.000 0.275 23 L C 0.054 176.756 176.870 -0.280 0.000 1.022 23 L CA -1.004 53.589 54.840 -0.411 0.000 0.812 23 L CB 1.394 43.068 42.059 -0.641 0.000 1.257 23 L HN 0.633 nan 8.230 nan 0.000 0.435 24 H N 2.949 121.627 119.070 -0.653 0.000 2.489 24 H HA 0.593 5.141 4.556 -0.014 0.000 0.343 24 H C -1.044 173.913 175.328 -0.617 0.000 1.086 24 H CA -0.804 54.837 56.048 -0.678 0.000 1.198 24 H CB 2.264 31.594 29.762 -0.720 0.000 1.490 24 H HN 0.294 nan 8.280 nan 0.000 0.504 25 L N 3.865 124.863 121.223 -0.374 0.000 2.385 25 L HA 0.541 4.873 4.340 -0.015 0.000 0.273 25 L C -0.278 176.655 176.870 0.106 0.000 0.990 25 L CA -0.665 54.117 54.840 -0.097 0.000 0.821 25 L CB 2.204 44.134 42.059 -0.214 0.000 1.279 25 L HN 0.495 nan 8.230 nan 0.000 0.412 26 R N 2.418 123.152 120.500 0.391 0.000 2.854 26 R HA 0.843 5.174 4.340 -0.015 0.000 0.271 26 R C -1.587 175.043 176.300 0.550 0.000 0.996 26 R CA -1.053 55.328 56.100 0.469 0.000 0.961 26 R CB 2.826 33.377 30.300 0.419 0.000 1.182 26 R HN 0.326 nan 8.270 nan 0.000 0.479 27 L N 1.147 122.617 121.223 0.410 0.000 2.472 27 L HA 0.529 4.860 4.340 -0.015 0.000 0.260 27 L C -1.676 175.356 176.870 0.270 0.000 0.963 27 L CA -0.586 54.347 54.840 0.156 0.000 0.829 27 L CB 1.970 43.786 42.059 -0.404 0.000 1.348 27 L HN 0.682 nan 8.230 nan 0.000 0.408 28 R N 1.247 121.807 120.500 0.100 0.000 2.740 28 R HA 0.964 5.296 4.340 -0.015 0.000 0.282 28 R C -0.981 175.261 176.300 -0.097 0.000 0.969 28 R CA -0.058 55.908 56.100 -0.224 0.000 0.918 28 R CB 1.698 31.516 30.300 -0.804 0.000 1.175 28 R HN 0.689 nan 8.270 nan 0.000 0.464 29 T N -1.974 112.616 114.554 0.060 0.000 2.812 29 T HA 0.422 4.763 4.350 -0.015 0.000 0.294 29 T C -0.741 174.148 174.700 0.315 0.000 1.159 29 T CA -1.265 60.933 62.100 0.164 0.000 1.008 29 T CB 1.180 70.191 68.868 0.239 0.000 1.289 29 T HN 0.703 nan 8.240 nan 0.000 0.514 30 K N 1.253 121.817 120.400 0.274 0.000 2.451 30 K HA 0.099 4.410 4.320 -0.015 0.000 0.280 30 K C 0.291 176.988 176.600 0.161 0.000 1.020 30 K CA -0.361 56.061 56.287 0.226 0.000 1.008 30 K CB 0.407 32.980 32.500 0.122 0.000 0.917 30 K HN 0.655 nan 8.250 nan 0.000 0.478 31 K N 3.977 124.430 120.400 0.088 0.000 2.491 31 K HA -0.165 4.147 4.320 -0.015 0.000 0.279 31 K C -0.574 176.063 176.600 0.062 0.000 1.026 31 K CA 0.842 57.164 56.287 0.058 0.000 1.070 31 K CB 0.217 32.714 32.500 -0.006 0.000 0.887 31 K HN 0.785 nan 8.250 nan 0.000 0.481 32 D N 2.311 122.762 120.400 0.085 0.000 3.077 32 D HA -0.227 4.404 4.640 -0.015 0.000 0.217 32 D C 0.320 176.682 176.300 0.104 0.000 1.162 32 D CA 1.618 55.670 54.000 0.087 0.000 0.943 32 D CB -0.737 40.086 40.800 0.039 0.000 1.122 32 D HN 0.812 nan 8.370 nan 0.000 0.413 33 D N -0.749 119.726 120.400 0.125 0.000 2.305 33 D HA 0.005 4.636 4.640 -0.015 0.000 0.206 33 D C 0.530 176.901 176.300 0.119 0.000 0.974 33 D CA 0.560 54.622 54.000 0.103 0.000 0.871 33 D CB 0.431 41.285 40.800 0.088 0.000 0.947 33 D HN 0.183 nan 8.370 nan 0.000 0.516 34 I N 0.883 121.565 120.570 0.185 0.000 2.474 34 I HA 0.208 4.370 4.170 -0.015 0.000 0.294 34 I C 0.499 176.755 176.117 0.232 0.000 1.005 34 I CA -0.612 60.785 61.300 0.162 0.000 1.113 34 I CB 1.802 39.856 38.000 0.091 0.000 1.289 34 I HN -0.162 nan 8.210 nan 0.000 0.436 35 D N 4.313 124.814 120.400 0.168 0.000 2.149 35 D HA 0.076 4.708 4.640 -0.015 0.000 0.206 35 D C 0.588 177.011 176.300 0.206 0.000 0.967 35 D CA 1.201 55.315 54.000 0.189 0.000 0.848 35 D CB 0.593 41.473 40.800 0.135 0.000 0.998 35 D HN 0.496 nan 8.370 nan 0.000 0.474 36 R N -0.446 120.110 120.500 0.094 0.000 2.774 36 R HA 0.671 5.002 4.340 -0.015 0.000 0.272 36 R C -1.261 174.949 176.300 -0.149 0.000 1.000 36 R CA -0.735 55.368 56.100 0.006 0.000 0.906 36 R CB 2.992 33.305 30.300 0.021 0.000 1.227 36 R HN -0.228 nan 8.270 nan 0.000 0.468 37 V N 1.373 121.101 119.914 -0.310 0.000 2.760 37 V HA 0.374 4.485 4.120 -0.015 0.000 0.309 37 V C -0.810 175.294 176.094 0.016 0.000 1.077 37 V CA -0.833 61.295 62.300 -0.286 0.000 0.910 37 V CB 2.292 33.593 31.823 -0.871 0.000 1.008 37 V HN 0.739 nan 8.190 nan 0.000 0.424 38 E N 2.735 123.027 120.200 0.153 0.000 2.266 38 E HA 0.573 4.914 4.350 -0.015 0.000 0.268 38 E C -1.429 175.277 176.600 0.175 0.000 0.879 38 E CA -1.022 55.483 56.400 0.176 0.000 0.762 38 E CB 3.073 32.908 29.700 0.225 0.000 1.199 38 E HN 0.487 nan 8.360 nan 0.000 0.422 39 L N 3.479 124.786 121.223 0.139 0.000 2.276 39 L HA 0.386 4.717 4.340 -0.015 0.000 0.286 39 L C -1.214 175.710 176.870 0.090 0.000 1.061 39 L CA -0.248 54.629 54.840 0.063 0.000 0.807 39 L CB 0.768 42.836 42.059 0.014 0.000 1.177 39 L HN 0.543 nan 8.230 nan 0.000 0.429 40 L N 6.258 127.473 121.223 -0.014 0.000 2.275 40 L HA 0.608 4.939 4.340 -0.015 0.000 0.288 40 L C -1.101 175.755 176.870 -0.024 0.000 1.046 40 L CA -0.287 54.526 54.840 -0.046 0.000 0.805 40 L CB 0.458 42.417 42.059 -0.166 0.000 1.193 40 L HN 0.991 nan 8.230 nan 0.000 0.426 41 H N 2.371 121.392 119.070 -0.081 0.000 3.046 41 H HA 0.930 5.477 4.556 -0.015 0.000 0.361 41 H C -0.868 174.393 175.328 -0.112 0.000 1.235 41 H CA -0.483 55.539 56.048 -0.043 0.000 1.146 41 H CB 1.833 31.563 29.762 -0.053 0.000 1.859 41 H HN 0.755 nan 8.280 nan 0.000 0.548 42 G N 0.521 109.375 108.800 0.090 0.000 2.519 42 G HA2 0.237 4.189 3.960 -0.015 0.000 0.292 42 G HA3 0.237 4.189 3.960 -0.015 0.000 0.292 42 G C -1.839 173.266 174.900 0.342 0.000 1.507 42 G CA -0.894 44.200 45.100 -0.010 0.000 0.806 42 G HN 0.847 nan 8.290 nan 0.000 0.523 43 D N 1.054 121.634 120.400 0.300 0.000 2.424 43 D HA 0.175 4.806 4.640 -0.015 0.000 0.244 43 D C -1.196 175.409 176.300 0.508 0.000 1.134 43 D CA -1.278 52.959 54.000 0.395 0.000 0.881 43 D CB 2.140 43.182 40.800 0.403 0.000 1.191 43 D HN -0.049 nan 8.370 nan 0.000 0.445 44 P HA -0.120 nan 4.420 nan 0.000 0.219 44 P C -0.046 177.221 177.300 -0.055 0.000 1.146 44 P CA 1.257 64.341 63.100 -0.026 0.000 0.808 44 P CB -0.011 31.481 31.700 -0.347 0.000 0.779 45 Y N -2.310 118.215 120.300 0.374 0.000 2.584 45 Y HA 0.252 4.793 4.550 -0.015 0.000 0.254 45 Y C 0.537 176.728 175.900 0.484 0.000 1.177 45 Y CA -0.876 57.471 58.100 0.411 0.000 1.216 45 Y CB -0.333 38.243 38.460 0.193 0.000 1.172 45 Y HN -0.165 nan 8.280 nan 0.000 0.529 46 D N 0.749 121.469 120.400 0.533 0.000 2.453 46 D HA 0.090 4.722 4.640 -0.015 0.000 0.223 46 D C -1.216 175.232 176.300 0.247 0.000 1.183 46 D CA -0.058 54.134 54.000 0.320 0.000 0.933 46 D CB -0.140 40.760 40.800 0.167 0.000 1.038 46 D HN 0.076 nan 8.370 nan 0.000 0.513 47 W N 1.884 123.292 121.300 0.180 0.000 2.761 47 W HA 0.544 5.197 4.660 -0.011 0.000 0.340 47 W C -0.162 176.409 176.519 0.087 0.000 1.072 47 W CA -0.699 56.742 57.345 0.160 0.000 1.215 47 W CB 1.477 31.033 29.460 0.161 0.000 1.420 47 W HN 0.108 nan 8.180 nan 0.000 0.519 48 Q N 0.946 120.906 119.800 0.266 0.000 2.327 48 Q HA 0.205 4.536 4.340 -0.015 0.000 0.265 48 Q C -0.297 175.787 176.000 0.140 0.000 0.993 48 Q CA -0.757 55.140 55.803 0.157 0.000 0.885 48 Q CB 1.971 30.751 28.738 0.070 0.000 1.379 48 Q HN 0.719 nan 8.270 nan 0.000 0.408 49 N N 1.051 119.826 118.700 0.124 0.000 2.741 49 N HA -0.267 4.464 4.740 -0.015 0.000 0.251 49 N C 0.361 175.960 175.510 0.148 0.000 1.112 49 N CA 0.345 53.457 53.050 0.103 0.000 0.750 49 N CB -0.608 37.918 38.487 0.065 0.000 1.119 49 N HN 1.064 nan 8.380 nan 0.000 0.561 50 G N -1.297 107.639 108.800 0.226 0.000 2.143 50 G HA2 -0.099 3.852 3.960 -0.015 0.000 0.248 50 G HA3 -0.099 3.852 3.960 -0.015 0.000 0.248 50 G C -0.047 175.126 174.900 0.455 0.000 0.991 50 G CA 0.542 45.824 45.100 0.304 0.000 0.689 50 G HN 0.961 nan 8.290 nan 0.000 0.522 51 A N -1.050 122.002 122.820 0.386 0.000 2.414 51 A HA 0.626 4.937 4.320 -0.015 0.000 0.306 51 A C -0.463 177.037 177.584 -0.141 0.000 1.054 51 A CA -0.467 51.683 52.037 0.188 0.000 0.724 51 A CB 1.060 20.111 19.000 0.084 0.000 1.267 51 A HN 1.293 nan 8.150 nan 0.000 0.418 52 W N 2.864 123.625 121.300 -0.899 0.000 2.303 52 W HA 0.346 5.000 4.660 -0.009 0.000 0.318 52 W C -0.327 175.941 176.519 -0.418 0.000 1.362 52 W CA -0.039 56.577 57.345 -1.216 0.000 1.234 52 W CB 0.703 29.423 29.460 -1.234 0.000 1.248 52 W HN 0.577 nan 8.180 nan 0.000 0.546 53 Q N 7.543 126.897 119.800 -0.742 0.000 2.314 53 Q HA 0.265 4.596 4.340 -0.015 0.000 0.257 53 Q C -0.808 174.583 176.000 -1.015 0.000 0.975 53 Q CA -0.235 55.157 55.803 -0.685 0.000 0.933 53 Q CB 0.551 29.062 28.738 -0.379 0.000 1.195 53 Q HN 0.479 nan 8.270 nan 0.000 0.426 54 F N -0.285 119.038 119.950 -1.046 0.000 2.645 54 F HA 0.684 5.204 4.527 -0.011 0.000 0.310 54 F C -0.947 174.421 175.800 -0.721 0.000 1.102 54 F CA -1.232 56.112 58.000 -1.093 0.000 0.952 54 F CB 1.330 39.414 39.000 -1.526 0.000 1.326 54 F HN 0.157 nan 8.300 nan 0.000 0.456 55 Q N 1.582 120.961 119.800 -0.703 0.000 2.496 55 Q HA 0.696 5.027 4.340 -0.015 0.000 0.286 55 Q C -1.177 174.586 176.000 -0.395 0.000 1.103 55 Q CA -0.973 54.475 55.803 -0.592 0.000 0.813 55 Q CB 2.255 30.696 28.738 -0.494 0.000 1.444 55 Q HN 0.605 nan 8.270 nan 0.000 0.443 56 M N 1.399 120.892 119.600 -0.178 0.000 2.294 56 M HA 0.540 5.011 4.480 -0.015 0.000 0.335 56 M C -1.171 175.162 176.300 0.055 0.000 1.079 56 M CA -0.222 55.073 55.300 -0.008 0.000 0.982 56 M CB 1.441 34.061 32.600 0.033 0.000 1.651 56 M HN 0.727 nan 8.290 nan 0.000 0.437 57 M N 4.820 124.495 119.600 0.124 0.000 2.151 57 M HA 0.491 4.963 4.480 -0.015 0.000 0.290 57 M C -2.621 173.728 176.300 0.082 0.000 0.965 57 M CA -1.437 53.921 55.300 0.098 0.000 0.930 57 M CB 2.608 35.264 32.600 0.092 0.000 1.560 57 M HN 0.227 nan 8.290 nan 0.000 0.438 58 P HA 0.157 nan 4.420 nan 0.000 0.268 58 P C -1.061 176.309 177.300 0.118 0.000 1.205 58 P CA 0.404 63.558 63.100 0.090 0.000 0.771 58 P CB 0.567 32.308 31.700 0.068 0.000 0.858 59 M N 2.448 122.156 119.600 0.181 0.000 2.423 59 M HA 0.400 4.871 4.480 -0.015 0.000 0.335 59 M C 0.555 177.111 176.300 0.426 0.000 1.177 59 M CA -0.580 54.882 55.300 0.270 0.000 1.038 59 M CB 1.792 34.586 32.600 0.324 0.000 1.641 59 M HN 0.192 nan 8.290 nan 0.000 0.455 60 R N 1.902 122.636 120.500 0.389 0.000 2.407 60 R HA 0.289 4.621 4.340 -0.015 0.000 0.303 60 R C -0.617 175.836 176.300 0.254 0.000 0.981 60 R CA -0.622 55.674 56.100 0.326 0.000 0.905 60 R CB 1.099 31.532 30.300 0.222 0.000 1.099 60 R HN 0.582 nan 8.270 nan 0.000 0.459 61 K N 3.027 123.412 120.400 -0.025 0.000 2.315 61 K HA 0.032 4.343 4.320 -0.015 0.000 0.291 61 K C 0.396 176.911 176.600 -0.142 0.000 1.074 61 K CA 0.079 56.098 56.287 -0.446 0.000 0.936 61 K CB 0.718 32.762 32.500 -0.761 0.000 1.049 61 K HN 0.786 nan 8.250 nan 0.000 0.471 62 T N 0.570 115.110 114.554 -0.024 0.000 3.088 62 T HA 0.238 4.580 4.350 -0.015 0.000 0.259 62 T C 0.844 175.621 174.700 0.127 0.000 1.122 62 T CA 0.179 62.331 62.100 0.086 0.000 1.095 62 T CB 0.165 69.150 68.868 0.196 0.000 0.930 62 T HN 0.677 nan 8.240 nan 0.000 0.508 63 G N 0.288 109.096 108.800 0.013 0.000 2.341 63 G HA2 0.439 4.391 3.960 -0.015 0.000 0.293 63 G HA3 0.439 4.391 3.960 -0.015 0.000 0.293 63 G C -1.463 173.404 174.900 -0.055 0.000 1.298 63 G CA -0.405 44.724 45.100 0.049 0.000 0.868 63 G HN 1.028 nan 8.290 nan 0.000 0.540 64 S N -0.577 115.138 115.700 0.025 0.000 2.537 64 S HA 0.737 5.198 4.470 -0.015 0.000 0.271 64 S C -0.985 173.666 174.600 0.085 0.000 1.148 64 S CA -0.032 58.202 58.200 0.057 0.000 0.868 64 S CB 2.372 65.586 63.200 0.023 0.000 1.115 64 S HN 1.311 nan 8.310 nan 0.000 0.461 65 D N 0.332 120.821 120.400 0.147 0.000 2.560 65 D HA 0.338 4.969 4.640 -0.015 0.000 0.277 65 D C 1.028 177.331 176.300 0.005 0.000 1.194 65 D CA -0.717 53.344 54.000 0.102 0.000 1.092 65 D CB -0.096 40.859 40.800 0.258 0.000 1.169 65 D HN 0.655 nan 8.370 nan 0.000 0.607 66 E N -1.187 118.978 120.200 -0.058 0.000 2.160 66 E HA -0.122 4.219 4.350 -0.015 0.000 0.195 66 E C 1.560 178.051 176.600 -0.182 0.000 0.991 66 E CA 1.035 57.366 56.400 -0.115 0.000 0.810 66 E CB -0.004 29.613 29.700 -0.138 0.000 0.742 66 E HN 0.477 nan 8.360 nan 0.000 0.466 67 L N -1.031 120.005 121.223 -0.313 0.000 2.609 67 L HA 0.250 4.581 4.340 -0.015 0.000 0.230 67 L C 0.050 176.516 176.870 -0.673 0.000 1.064 67 L CA -0.296 54.168 54.840 -0.626 0.000 0.873 67 L CB 0.386 41.776 42.059 -1.114 0.000 1.139 67 L HN -0.045 nan 8.230 nan 0.000 0.490 68 F N -1.085 118.876 119.950 0.019 0.000 2.598 68 F HA 0.489 5.007 4.527 -0.015 0.000 0.327 68 F C -0.335 175.413 175.800 -0.086 0.000 1.057 68 F CA -1.263 56.707 58.000 -0.051 0.000 0.957 68 F CB 0.839 39.746 39.000 -0.156 0.000 1.278 68 F HN -0.284 nan 8.300 nan 0.000 0.484 69 D N 0.085 120.534 120.400 0.083 0.000 2.192 69 D HA 0.290 4.921 4.640 -0.015 0.000 0.246 69 D C -1.382 174.734 176.300 -0.307 0.000 1.042 69 D CA -0.157 53.774 54.000 -0.115 0.000 0.847 69 D CB 1.444 42.176 40.800 -0.113 0.000 1.186 69 D HN 0.314 nan 8.370 nan 0.000 0.461 70 Y N 0.706 120.793 120.300 -0.356 0.000 2.352 70 Y HA 0.386 4.927 4.550 -0.015 0.000 0.339 70 Y C -0.425 175.276 175.900 -0.331 0.000 0.992 70 Y CA -0.659 57.291 58.100 -0.250 0.000 1.100 70 Y CB 1.139 39.310 38.460 -0.482 0.000 1.192 70 Y HN 0.266 nan 8.280 nan 0.000 0.458 71 W N 4.493 125.931 121.300 0.230 0.000 2.627 71 W HA 0.593 5.244 4.660 -0.015 0.000 0.339 71 W C -1.162 175.552 176.519 0.325 0.000 1.058 71 W CA -0.948 56.536 57.345 0.231 0.000 1.223 71 W CB 1.234 30.782 29.460 0.146 0.000 1.389 71 W HN 0.315 nan 8.180 nan 0.000 0.541 72 F N 1.607 121.750 119.950 0.321 0.000 2.576 72 F HA 0.838 5.357 4.527 -0.015 0.000 0.313 72 F C -0.883 174.976 175.800 0.098 0.000 1.078 72 F CA -1.197 56.902 58.000 0.166 0.000 0.921 72 F CB 1.414 40.448 39.000 0.057 0.000 1.232 72 F HN 0.466 nan 8.300 nan 0.000 0.459 73 A N 4.271 126.460 122.820 -1.052 0.000 2.566 73 A HA 0.611 4.923 4.320 -0.015 0.000 0.297 73 A C -1.762 175.129 177.584 -1.156 0.000 1.059 73 A CA -0.757 50.783 52.037 -0.828 0.000 0.691 73 A CB 1.442 20.249 19.000 -0.321 0.000 1.282 73 A HN 0.783 nan 8.150 nan 0.000 0.401 74 E N 0.870 120.605 120.200 -0.774 0.000 2.199 74 E HA 0.727 5.068 4.350 -0.015 0.000 0.269 74 E C -1.376 175.017 176.600 -0.345 0.000 0.899 74 E CA -0.983 55.116 56.400 -0.502 0.000 0.772 74 E CB 2.316 31.859 29.700 -0.261 0.000 1.155 74 E HN 0.792 nan 8.360 nan 0.000 0.408 75 V N 2.228 121.947 119.914 -0.326 0.000 2.888 75 V HA 0.365 4.477 4.120 -0.015 0.000 0.309 75 V C -1.587 174.354 176.094 -0.255 0.000 1.114 75 V CA -0.813 61.280 62.300 -0.345 0.000 0.940 75 V CB 2.059 33.560 31.823 -0.536 0.000 1.021 75 V HN 0.718 nan 8.190 nan 0.000 0.426 76 K N 6.720 127.000 120.400 -0.200 0.000 2.354 76 K HA 0.457 4.768 4.320 -0.015 0.000 0.257 76 K C -2.672 173.843 176.600 -0.143 0.000 1.062 76 K CA -1.568 54.628 56.287 -0.151 0.000 0.971 76 K CB 1.228 33.663 32.500 -0.110 0.000 1.305 76 K HN 0.475 nan 8.250 nan 0.000 0.449 77 P HA -0.032 nan 4.420 nan 0.000 0.264 77 P C -1.700 175.540 177.300 -0.100 0.000 1.193 77 P CA -0.982 62.076 63.100 -0.071 0.000 0.763 77 P CB 0.351 32.023 31.700 -0.047 0.000 0.810 78 P HA -0.174 nan 4.420 nan 0.000 0.216 78 P C 0.032 176.970 177.300 -0.602 0.000 1.150 78 P CA 1.884 64.779 63.100 -0.341 0.000 0.843 78 P CB -0.027 31.500 31.700 -0.289 0.000 0.787 79 Y N -1.470 118.841 120.300 0.018 0.000 2.715 79 Y HA 0.411 4.951 4.550 -0.016 0.000 0.255 79 Y C 0.832 176.682 175.900 -0.084 0.000 1.139 79 Y CA -0.612 57.502 58.100 0.022 0.000 1.151 79 Y CB 0.144 38.666 38.460 0.103 0.000 1.201 79 Y HN -0.227 nan 8.280 nan 0.000 0.556 80 R N 0.112 120.545 120.500 -0.112 0.000 3.946 80 R HA -0.213 4.118 4.340 -0.015 0.000 0.329 80 R C -0.510 175.618 176.300 -0.285 0.000 1.209 80 R CA 0.888 56.772 56.100 -0.359 0.000 0.909 80 R CB -1.419 28.379 30.300 -0.838 0.000 1.355 80 R HN 0.391 nan 8.270 nan 0.000 0.539 81 R N 0.079 120.609 120.500 0.050 0.000 2.686 81 R HA 0.703 5.034 4.340 -0.015 0.000 0.286 81 R C -1.068 175.393 176.300 0.267 0.000 0.969 81 R CA -1.002 55.237 56.100 0.232 0.000 0.898 81 R CB 1.889 32.422 30.300 0.387 0.000 1.183 81 R HN -0.031 nan 8.270 nan 0.000 0.456 82 L N 0.979 122.394 121.223 0.320 0.000 2.505 82 L HA 0.487 4.818 4.340 -0.015 0.000 0.259 82 L C -1.498 175.615 176.870 0.406 0.000 0.952 82 L CA -0.477 54.570 54.840 0.345 0.000 0.840 82 L CB 2.156 44.380 42.059 0.275 0.000 1.358 82 L HN 0.470 nan 8.230 nan 0.000 0.409 83 R N 3.215 123.951 120.500 0.393 0.000 2.561 83 R HA 0.665 4.997 4.340 -0.015 0.000 0.297 83 R C -1.688 174.817 176.300 0.342 0.000 0.969 83 R CA -0.530 55.725 56.100 0.258 0.000 0.879 83 R CB 1.917 32.217 30.300 0.000 0.000 1.178 83 R HN 0.690 nan 8.270 nan 0.000 0.445 84 Y N -1.488 118.878 120.300 0.111 0.000 2.655 84 Y HA 0.857 5.398 4.550 -0.016 0.000 0.336 84 Y C -0.366 175.519 175.900 -0.025 0.000 1.154 84 Y CA -1.261 56.817 58.100 -0.036 0.000 1.055 84 Y CB 1.337 39.730 38.460 -0.110 0.000 1.295 84 Y HN 0.645 nan 8.280 nan 0.000 0.465 85 G N 0.013 108.720 108.800 -0.154 0.000 2.721 85 G HA2 0.665 4.616 3.960 -0.015 0.000 0.296 85 G HA3 0.665 4.616 3.960 -0.015 0.000 0.296 85 G C -2.498 172.079 174.900 -0.538 0.000 1.383 85 G CA -1.109 43.886 45.100 -0.176 0.000 0.788 85 G HN 0.479 nan 8.290 nan 0.000 0.500 86 F N -0.528 119.526 119.950 0.174 0.000 2.556 86 F HA 0.604 5.122 4.527 -0.016 0.000 0.314 86 F C -0.104 175.742 175.800 0.077 0.000 1.106 86 F CA -0.901 57.179 58.000 0.135 0.000 0.911 86 F CB 2.784 41.898 39.000 0.190 0.000 1.190 86 F HN 0.233 nan 8.300 nan 0.000 0.448 87 V N 4.679 124.694 119.914 0.169 0.000 2.378 87 V HA 0.490 4.601 4.120 -0.015 0.000 0.288 87 V C -0.552 175.456 176.094 -0.143 0.000 1.016 87 V CA -0.616 61.667 62.300 -0.029 0.000 0.840 87 V CB 1.374 33.163 31.823 -0.057 0.000 0.994 87 V HN 0.482 nan 8.190 nan 0.000 0.431 88 L N 5.739 126.823 121.223 -0.232 0.000 2.325 88 L HA 0.644 4.975 4.340 -0.015 0.000 0.278 88 L C -0.892 175.766 176.870 -0.353 0.000 1.023 88 L CA -0.282 54.434 54.840 -0.207 0.000 0.811 88 L CB 1.254 43.253 42.059 -0.100 0.000 1.249 88 L HN 0.477 nan 8.230 nan 0.000 0.431 89 Y N 0.308 120.590 120.300 -0.031 0.000 2.462 89 Y HA 0.675 5.220 4.550 -0.008 0.000 0.346 89 Y C 0.073 175.980 175.900 0.012 0.000 0.976 89 Y CA -0.822 57.282 58.100 0.006 0.000 1.044 89 Y CB 2.412 40.877 38.460 0.009 0.000 1.230 89 Y HN 0.468 nan 8.280 nan 0.000 0.455 90 S N 2.113 117.919 115.700 0.176 0.000 2.536 90 S HA 0.552 5.013 4.470 -0.015 0.000 0.246 90 S C 0.133 174.797 174.600 0.106 0.000 1.077 90 S CA 0.128 58.400 58.200 0.120 0.000 1.091 90 S CB -0.206 63.042 63.200 0.081 0.000 1.148 90 S HN 1.466 nan 8.310 nan 0.000 0.447 91 G N 4.842 113.703 108.800 0.101 0.000 2.561 91 G HA2 -0.280 3.671 3.960 -0.015 0.000 0.289 91 G HA3 -0.280 3.671 3.960 -0.015 0.000 0.289 91 G C 0.260 175.217 174.900 0.095 0.000 1.169 91 G CA 0.778 45.926 45.100 0.080 0.000 0.980 91 G HN 0.667 nan 8.290 nan 0.000 0.550 92 E N 1.530 121.777 120.200 0.079 0.000 2.479 92 E HA 0.289 4.630 4.350 -0.015 0.000 0.193 92 E C 1.009 177.666 176.600 0.095 0.000 1.049 92 E CA 0.662 57.112 56.400 0.084 0.000 0.870 92 E CB 0.410 30.144 29.700 0.057 0.000 0.944 92 E HN 0.583 nan 8.360 nan 0.000 0.492 93 E N 1.521 121.777 120.200 0.094 0.000 2.301 93 E HA 0.175 4.516 4.350 -0.015 0.000 0.275 93 E C -0.529 176.123 176.600 0.086 0.000 1.030 93 E CA -0.391 56.064 56.400 0.092 0.000 0.852 93 E CB 0.676 30.421 29.700 0.075 0.000 1.060 93 E HN -0.165 nan 8.360 nan 0.000 0.401 94 K N 4.866 125.309 120.400 0.073 0.000 2.468 94 K HA 0.432 4.744 4.320 -0.015 0.000 0.252 94 K C -1.662 174.933 176.600 -0.010 0.000 0.932 94 K CA -0.652 55.604 56.287 -0.052 0.000 0.794 94 K CB 1.053 33.525 32.500 -0.046 0.000 1.241 94 K HN 0.516 nan 8.250 nan 0.000 0.428 95 L N 3.404 124.568 121.223 -0.098 0.000 2.401 95 L HA 0.531 4.862 4.340 -0.015 0.000 0.266 95 L C -1.060 175.810 176.870 0.000 0.000 0.991 95 L CA -1.291 53.536 54.840 -0.021 0.000 0.818 95 L CB 2.393 44.488 42.059 0.060 0.000 1.321 95 L HN 0.335 nan 8.230 nan 0.000 0.413 96 V N 2.382 122.325 119.914 0.048 0.000 2.350 96 V HA 0.250 4.361 4.120 -0.015 0.000 0.285 96 V C -0.999 175.162 176.094 0.111 0.000 1.014 96 V CA -0.589 61.756 62.300 0.075 0.000 0.831 96 V CB 1.306 33.152 31.823 0.039 0.000 1.000 96 V HN 0.450 nan 8.190 nan 0.000 0.433 97 Y N 5.535 125.818 120.300 -0.028 0.000 2.341 97 Y HA 0.656 5.197 4.550 -0.016 0.000 0.340 97 Y C 0.495 176.359 175.900 -0.059 0.000 0.997 97 Y CA -0.432 57.514 58.100 -0.257 0.000 1.149 97 Y CB 1.200 39.594 38.460 -0.109 0.000 1.171 97 Y HN 0.803 nan 8.280 nan 0.000 0.494 98 T N 0.621 114.803 114.554 -0.619 0.000 2.804 98 T HA 0.273 4.614 4.350 -0.015 0.000 0.290 98 T C 0.659 174.571 174.700 -1.313 0.000 1.099 98 T CA -0.560 61.029 62.100 -0.852 0.000 1.011 98 T CB 1.471 69.947 68.868 -0.653 0.000 1.291 98 T HN 0.655 nan 8.240 nan 0.000 0.523 99 E N 0.059 119.269 120.200 -1.650 0.000 2.204 99 E HA -0.034 4.307 4.350 -0.015 0.000 0.194 99 E C 1.326 177.582 176.600 -0.574 0.000 0.989 99 E CA 0.811 56.457 56.400 -1.256 0.000 0.824 99 E CB -0.015 29.099 29.700 -0.977 0.000 0.756 99 E HN 0.531 nan 8.360 nan 0.000 0.477 100 K N 0.005 120.140 120.400 -0.440 0.000 2.437 100 K HA 0.168 4.479 4.320 -0.015 0.000 0.198 100 K C 0.244 176.759 176.600 -0.141 0.000 1.024 100 K CA 0.253 56.426 56.287 -0.190 0.000 1.148 100 K CB 0.964 33.432 32.500 -0.054 0.000 0.860 100 K HN 0.266 nan 8.250 nan 0.000 0.515 101 G N 0.817 109.453 108.800 -0.272 0.000 2.447 101 G HA2 -0.205 3.746 3.960 -0.015 0.000 0.220 101 G HA3 -0.205 3.746 3.960 -0.015 0.000 0.220 101 G C -1.104 173.520 174.900 -0.459 0.000 1.261 101 G CA -1.031 43.898 45.100 -0.285 0.000 1.000 101 G HN 0.073 nan 8.290 nan 0.000 0.515 102 F N 0.301 120.052 119.950 -0.332 0.000 2.399 102 F HA 0.809 5.326 4.527 -0.016 0.000 0.334 102 F C 0.353 175.645 175.800 -0.846 0.000 1.097 102 F CA -0.219 57.553 58.000 -0.380 0.000 1.076 102 F CB 1.556 40.370 39.000 -0.311 0.000 1.162 102 F HN 0.485 nan 8.300 nan 0.000 0.495 103 Y N 0.292 120.436 120.300 -0.260 0.000 2.605 103 Y HA 0.405 4.946 4.550 -0.015 0.000 0.343 103 Y C -0.097 175.490 175.900 -0.522 0.000 1.036 103 Y CA -1.055 56.820 58.100 -0.375 0.000 1.065 103 Y CB 1.173 39.482 38.460 -0.253 0.000 1.288 103 Y HN 0.415 nan 8.280 nan 0.000 0.481 104 F N -0.510 119.533 119.950 0.155 0.000 2.695 104 F HA 0.316 4.833 4.527 -0.017 0.000 0.303 104 F C 0.385 176.218 175.800 0.056 0.000 1.091 104 F CA 0.297 58.345 58.000 0.080 0.000 1.300 104 F CB 0.629 39.659 39.000 0.051 0.000 1.071 104 F HN 0.291 nan 8.300 nan 0.000 0.578 105 E N -0.490 119.807 120.200 0.162 0.000 2.407 105 E HA 0.274 4.615 4.350 -0.015 0.000 0.279 105 E C -1.113 175.485 176.600 -0.003 0.000 1.012 105 E CA -0.592 55.859 56.400 0.085 0.000 0.800 105 E CB 3.015 32.773 29.700 0.096 0.000 1.276 105 E HN -0.333 nan 8.360 nan 0.000 0.452 106 V N 3.992 123.892 119.914 -0.024 0.000 2.446 106 V HA 0.157 4.268 4.120 -0.015 0.000 0.276 106 V C -1.777 174.205 176.094 -0.186 0.000 1.030 106 V CA -0.761 61.473 62.300 -0.109 0.000 1.033 106 V CB 0.086 31.860 31.823 -0.080 0.000 0.993 106 V HN 0.355 nan 8.190 nan 0.000 0.477 107 P HA 0.266 nan 4.420 nan 0.000 0.286 107 P C 0.264 177.410 177.300 -0.256 0.000 1.269 107 P CA -0.216 62.568 63.100 -0.526 0.000 0.787 107 P CB 1.381 32.251 31.700 -1.383 0.000 0.920 108 T N -2.502 112.021 114.554 -0.052 0.000 3.091 108 T HA 0.036 4.377 4.350 -0.015 0.000 0.277 108 T C 0.821 175.628 174.700 0.179 0.000 0.996 108 T CA -0.217 61.945 62.100 0.104 0.000 0.897 108 T CB -0.389 68.574 68.868 0.159 0.000 1.109 108 T HN 0.331 nan 8.240 nan 0.000 0.534 109 D N 0.721 121.239 120.400 0.196 0.000 2.347 109 D HA 0.065 4.696 4.640 -0.015 0.000 0.215 109 D C 0.293 176.810 176.300 0.361 0.000 0.976 109 D CA 0.302 54.464 54.000 0.271 0.000 0.884 109 D CB 0.138 41.054 40.800 0.192 0.000 0.915 109 D HN 0.534 nan 8.370 nan 0.000 0.526 110 D N -1.960 118.649 120.400 0.347 0.000 2.653 110 D HA 0.120 4.751 4.640 -0.015 0.000 0.258 110 D C 0.271 176.611 176.300 0.067 0.000 1.252 110 D CA -0.114 54.023 54.000 0.228 0.000 0.777 110 D CB 1.310 42.106 40.800 -0.007 0.000 1.339 110 D HN -0.166 nan 8.370 nan 0.000 0.422 111 T N -1.046 113.419 114.554 -0.148 0.000 3.060 111 T HA 0.335 4.676 4.350 -0.015 0.000 0.249 111 T C 1.691 176.237 174.700 -0.256 0.000 1.079 111 T CA 0.606 62.478 62.100 -0.379 0.000 1.013 111 T CB 0.160 68.625 68.868 -0.673 0.000 0.975 111 T HN 0.369 nan 8.240 nan 0.000 0.518 112 A N 0.892 123.514 122.820 -0.331 0.000 2.076 112 A HA 0.001 4.312 4.320 -0.015 0.000 0.220 112 A C 1.849 179.142 177.584 -0.486 0.000 1.160 112 A CA 1.016 52.816 52.037 -0.395 0.000 0.653 112 A CB -1.101 17.644 19.000 -0.425 0.000 0.801 112 A HN 0.648 nan 8.150 nan 0.000 0.455 113 Y N -1.517 118.454 120.300 -0.549 0.000 2.224 113 Y HA -0.094 4.448 4.550 -0.013 0.000 0.289 113 Y C 0.758 176.090 175.900 -0.946 0.000 1.146 113 Y CA 0.625 58.251 58.100 -0.790 0.000 1.182 113 Y CB -0.680 37.069 38.460 -1.184 0.000 0.983 113 Y HN 0.359 nan 8.280 nan 0.000 0.524 114 Y N -0.954 119.138 120.300 -0.347 0.000 2.300 114 Y HA 0.265 4.807 4.550 -0.014 0.000 0.328 114 Y C 0.117 175.684 175.900 -0.555 0.000 1.270 114 Y CA -1.837 55.964 58.100 -0.499 0.000 1.352 114 Y CB 0.124 38.348 38.460 -0.393 0.000 1.286 114 Y HN -0.241 nan 8.280 nan 0.000 0.536 115 F N 0.580 120.277 119.950 -0.422 0.000 2.490 115 F HA 0.251 4.768 4.527 -0.016 0.000 0.336 115 F C 0.542 176.059 175.800 -0.472 0.000 1.178 115 F CA -0.301 57.374 58.000 -0.541 0.000 1.301 115 F CB 0.355 38.812 39.000 -0.904 0.000 1.175 115 F HN 0.385 nan 8.300 nan 0.000 0.593 116 C N 3.952 123.302 119.300 0.084 0.000 2.547 116 C HA 0.610 5.061 4.460 -0.015 0.000 0.313 116 C C -0.976 174.266 174.990 0.419 0.000 1.191 116 C CA -1.045 58.109 59.018 0.228 0.000 1.474 116 C CB 0.033 27.835 27.740 0.104 0.000 2.081 116 C HN 0.698 nan 8.230 nan 0.000 0.476 117 F N 8.450 128.631 119.950 0.385 0.000 2.564 117 F HA 0.415 4.933 4.527 -0.014 0.000 0.361 117 F C -1.227 174.717 175.800 0.240 0.000 1.161 117 F CA -2.035 56.148 58.000 0.304 0.000 1.198 117 F CB 1.157 40.306 39.000 0.247 0.000 1.424 117 F HN 0.556 nan 8.300 nan 0.000 0.517 118 P HA -0.256 nan 4.420 nan 0.000 0.218 118 P C -0.013 177.506 177.300 0.366 0.000 1.165 118 P CA 1.761 64.995 63.100 0.223 0.000 0.922 118 P CB 0.383 32.171 31.700 0.147 0.000 0.794 119 F N -2.166 117.859 119.950 0.125 0.000 2.635 119 F HA 0.434 4.953 4.527 -0.014 0.000 0.314 119 F C -1.095 174.759 175.800 0.089 0.000 1.119 119 F CA -1.031 57.015 58.000 0.077 0.000 1.000 119 F CB 1.432 40.380 39.000 -0.087 0.000 1.278 119 F HN -0.278 nan 8.300 nan 0.000 0.446 120 L N 6.289 127.371 121.223 -0.235 0.000 2.295 120 L HA 0.378 4.709 4.340 -0.015 0.000 0.288 120 L C -1.082 175.796 176.870 0.014 0.000 1.079 120 L CA -0.220 54.655 54.840 0.058 0.000 0.830 120 L CB -0.082 41.932 42.059 -0.075 0.000 1.200 120 L HN 0.658 nan 8.230 nan 0.000 0.438 121 H N 3.099 122.381 119.070 0.354 0.000 2.459 121 H HA 0.255 4.802 4.556 -0.014 0.000 0.332 121 H C 0.587 176.038 175.328 0.205 0.000 1.094 121 H CA -0.507 55.731 56.048 0.317 0.000 1.224 121 H CB 1.644 31.572 29.762 0.275 0.000 1.449 121 H HN 0.497 nan 8.280 nan 0.000 0.484 122 R N 2.397 123.063 120.500 0.276 0.000 2.096 122 R HA -0.133 4.198 4.340 -0.015 0.000 0.235 122 R C 1.670 178.067 176.300 0.161 0.000 1.127 122 R CA 1.302 57.508 56.100 0.176 0.000 0.968 122 R CB -0.160 30.220 30.300 0.133 0.000 0.861 122 R HN 0.530 nan 8.270 nan 0.000 0.440 123 V N 1.244 121.263 119.914 0.176 0.000 2.594 123 V HA -0.178 3.933 4.120 -0.015 0.000 0.253 123 V C 0.659 176.822 176.094 0.115 0.000 1.069 123 V CA 2.139 64.510 62.300 0.117 0.000 1.082 123 V CB -0.175 31.699 31.823 0.085 0.000 0.680 123 V HN 0.360 nan 8.190 nan 0.000 0.469 124 D N -0.257 120.243 120.400 0.167 0.000 2.339 124 D HA 0.133 4.764 4.640 -0.015 0.000 0.217 124 D C 0.588 177.004 176.300 0.192 0.000 1.050 124 D CA -0.088 54.011 54.000 0.165 0.000 0.856 124 D CB 0.089 41.006 40.800 0.194 0.000 0.922 124 D HN 0.407 nan 8.370 nan 0.000 0.518 125 L N 1.162 122.494 121.223 0.182 0.000 2.453 125 L HA 0.148 4.479 4.340 -0.015 0.000 0.272 125 L C -0.382 176.586 176.870 0.163 0.000 1.182 125 L CA -0.341 54.608 54.840 0.182 0.000 0.858 125 L CB 0.219 42.355 42.059 0.129 0.000 1.120 125 L HN -0.176 nan 8.230 nan 0.000 0.474 126 F N 5.264 125.247 119.950 0.055 0.000 2.472 126 F HA 0.351 4.870 4.527 -0.015 0.000 0.364 126 F C 0.043 175.833 175.800 -0.016 0.000 1.090 126 F CA -0.007 58.006 58.000 0.020 0.000 1.188 126 F CB 0.241 39.241 39.000 -0.001 0.000 1.105 126 F HN 0.677 nan 8.300 nan 0.000 0.536 127 E N 5.559 125.473 120.200 -0.477 0.000 2.302 127 E HA 0.583 4.924 4.350 -0.015 0.000 0.263 127 E C -1.628 174.719 176.600 -0.422 0.000 0.897 127 E CA -0.780 55.442 56.400 -0.296 0.000 0.809 127 E CB 1.208 30.832 29.700 -0.126 0.000 1.270 127 E HN 0.832 nan 8.360 nan 0.000 0.410 128 A N 4.516 127.146 122.820 -0.316 0.000 2.269 128 A HA 0.702 5.013 4.320 -0.015 0.000 0.319 128 A C -2.463 175.053 177.584 -0.114 0.000 1.110 128 A CA -1.550 50.372 52.037 -0.192 0.000 0.847 128 A CB 0.456 19.445 19.000 -0.018 0.000 1.161 128 A HN 0.472 nan 8.150 nan 0.000 0.497 129 P HA 0.105 nan 4.420 nan 0.000 0.267 129 P C -0.089 177.027 177.300 -0.306 0.000 1.209 129 P CA 0.385 63.380 63.100 -0.174 0.000 0.763 129 P CB 0.639 32.196 31.700 -0.239 0.000 0.816 130 D N 3.676 124.006 120.400 -0.116 0.000 2.178 130 D HA -0.170 4.461 4.640 -0.015 0.000 0.201 130 D C 1.384 177.628 176.300 -0.095 0.000 0.980 130 D CA 0.912 54.862 54.000 -0.083 0.000 0.842 130 D CB -0.150 40.653 40.800 0.005 0.000 0.948 130 D HN 0.534 nan 8.370 nan 0.000 0.472 131 W N 0.991 122.262 121.300 -0.049 0.000 2.364 131 W HA -0.157 4.495 4.660 -0.014 0.000 0.281 131 W C 1.641 178.089 176.519 -0.117 0.000 1.219 131 W CA 1.233 58.531 57.345 -0.079 0.000 1.220 131 W CB -1.322 28.089 29.460 -0.082 0.000 1.127 131 W HN 0.020 nan 8.180 nan 0.000 0.556 132 V N 0.606 120.006 119.914 -0.856 0.000 2.759 132 V HA -0.178 3.933 4.120 -0.015 0.000 0.256 132 V C 2.304 178.216 176.094 -0.304 0.000 1.080 132 V CA 1.850 63.680 62.300 -0.784 0.000 1.101 132 V CB -0.905 30.174 31.823 -1.240 0.000 0.698 132 V HN 0.096 nan 8.190 nan 0.000 0.477 133 K N 0.471 120.743 120.400 -0.215 0.000 2.209 133 K HA -0.096 4.216 4.320 -0.015 0.000 0.204 133 K C 1.346 177.909 176.600 -0.062 0.000 1.048 133 K CA 1.592 57.818 56.287 -0.103 0.000 0.940 133 K CB -0.183 32.275 32.500 -0.070 0.000 0.729 133 K HN 0.547 nan 8.250 nan 0.000 0.451 134 D N -0.002 120.369 120.400 -0.049 0.000 2.398 134 D HA 0.021 4.652 4.640 -0.015 0.000 0.210 134 D C 0.029 176.297 176.300 -0.052 0.000 1.094 134 D CA 0.315 54.296 54.000 -0.032 0.000 0.839 134 D CB 0.565 41.359 40.800 -0.011 0.000 0.963 134 D HN -0.020 nan 8.370 nan 0.000 0.506 135 T N 0.726 115.228 114.554 -0.087 0.000 2.910 135 T HA 0.333 4.674 4.350 -0.015 0.000 0.293 135 T C 0.246 174.835 174.700 -0.185 0.000 1.015 135 T CA -0.195 61.790 62.100 -0.191 0.000 1.094 135 T CB 2.315 70.963 68.868 -0.366 0.000 0.968 135 T HN -0.282 nan 8.240 nan 0.000 0.521 136 V N 3.329 123.126 119.914 -0.195 0.000 2.376 136 V HA 0.339 4.450 4.120 -0.015 0.000 0.287 136 V C -0.778 175.289 176.094 -0.044 0.000 1.015 136 V CA -1.089 61.176 62.300 -0.059 0.000 0.834 136 V CB 0.903 32.717 31.823 -0.015 0.000 1.001 136 V HN 0.840 nan 8.190 nan 0.000 0.428 137 W N 3.469 124.811 121.300 0.070 0.000 2.283 137 W HA 0.557 5.208 4.660 -0.015 0.000 0.341 137 W C -0.445 176.215 176.519 0.236 0.000 1.206 137 W CA -0.275 57.174 57.345 0.174 0.000 1.294 137 W CB 0.727 30.312 29.460 0.208 0.000 1.154 137 W HN 0.539 nan 8.180 nan 0.000 0.613 138 Y N 2.029 122.589 120.300 0.432 0.000 2.329 138 Y HA 0.212 4.753 4.550 -0.015 0.000 0.328 138 Y C -0.302 175.776 175.900 0.297 0.000 0.992 138 Y CA -1.165 57.110 58.100 0.292 0.000 1.151 138 Y CB 1.107 39.676 38.460 0.182 0.000 1.150 138 Y HN 0.408 nan 8.280 nan 0.000 0.450 139 Q N 6.604 126.454 119.800 0.083 0.000 2.274 139 Q HA 0.543 4.874 4.340 -0.015 0.000 0.256 139 Q C -1.455 174.485 176.000 -0.100 0.000 0.927 139 Q CA -0.384 55.462 55.803 0.071 0.000 0.939 139 Q CB 0.824 29.718 28.738 0.260 0.000 1.201 139 Q HN 0.784 nan 8.270 nan 0.000 0.426 140 I N 3.916 124.357 120.570 -0.216 0.000 2.433 140 I HA 0.282 4.443 4.170 -0.015 0.000 0.292 140 I C -0.964 174.963 176.117 -0.317 0.000 1.001 140 I CA -0.878 60.203 61.300 -0.364 0.000 1.119 140 I CB 1.447 39.135 38.000 -0.521 0.000 1.289 140 I HN 0.633 nan 8.210 nan 0.000 0.438 141 F N 9.017 128.670 119.950 -0.495 0.000 2.303 141 F HA 0.443 4.961 4.527 -0.015 0.000 0.368 141 F C -1.841 173.778 175.800 -0.302 0.000 1.105 141 F CA -2.309 55.520 58.000 -0.285 0.000 1.153 141 F CB 0.886 39.853 39.000 -0.054 0.000 1.362 141 F HN 0.285 nan 8.300 nan 0.000 0.511 142 P HA -0.272 nan 4.420 nan 0.000 0.220 142 P C 1.448 178.518 177.300 -0.384 0.000 1.155 142 P CA 1.418 64.138 63.100 -0.633 0.000 0.880 142 P CB 0.229 31.164 31.700 -1.276 0.000 0.790 143 E N -1.012 119.071 120.200 -0.195 0.000 2.338 143 E HA -0.141 4.201 4.350 -0.015 0.000 0.197 143 E C 1.105 177.923 176.600 0.362 0.000 1.007 143 E CA 0.842 57.412 56.400 0.283 0.000 0.849 143 E CB 0.046 29.968 29.700 0.370 0.000 0.774 143 E HN 0.170 nan 8.360 nan 0.000 0.506 144 R N -1.384 119.291 120.500 0.291 0.000 2.565 144 R HA 0.102 4.433 4.340 -0.015 0.000 0.347 144 R C 1.285 177.784 176.300 0.332 0.000 1.010 144 R CA -0.234 55.998 56.100 0.221 0.000 1.126 144 R CB -0.414 29.991 30.300 0.175 0.000 1.331 144 R HN 0.077 nan 8.270 nan 0.000 0.552 145 F N 1.213 121.271 119.950 0.180 0.000 2.188 145 F HA 0.420 4.938 4.527 -0.015 0.000 0.289 145 F C 0.260 176.340 175.800 0.466 0.000 1.082 145 F CA 0.299 58.408 58.000 0.182 0.000 1.282 145 F CB 0.450 39.453 39.000 0.004 0.000 1.060 145 F HN -0.048 nan 8.300 nan 0.000 0.493 146 A N 0.299 123.301 122.820 0.303 0.000 2.547 146 A HA 0.378 4.689 4.320 -0.015 0.000 0.298 146 A C -1.497 176.002 177.584 -0.142 0.000 1.062 146 A CA -0.655 51.281 52.037 -0.169 0.000 0.748 146 A CB 0.115 19.017 19.000 -0.164 0.000 1.288 146 A HN 0.125 nan 8.150 nan 0.000 0.396 147 N N 1.850 120.303 118.700 -0.413 0.000 2.663 147 N HA 0.344 5.075 4.740 -0.015 0.000 0.250 147 N C 1.095 176.543 175.510 -0.104 0.000 1.129 147 N CA 0.508 53.493 53.050 -0.108 0.000 0.995 147 N CB 0.707 39.168 38.487 -0.042 0.000 1.324 147 N HN 0.753 nan 8.380 nan 0.000 0.512 148 G N 1.780 110.555 108.800 -0.040 0.000 2.777 148 G HA2 -0.104 3.847 3.960 -0.015 0.000 0.211 148 G HA3 -0.104 3.847 3.960 -0.015 0.000 0.211 148 G C 0.365 175.255 174.900 -0.017 0.000 1.149 148 G CA -0.118 44.952 45.100 -0.050 0.000 0.785 148 G HN 0.553 nan 8.290 nan 0.000 0.536 149 N N -0.284 118.430 118.700 0.023 0.000 2.640 149 N HA 0.295 5.026 4.740 -0.015 0.000 0.262 149 N C -2.325 173.223 175.510 0.062 0.000 1.174 149 N CA -1.603 51.470 53.050 0.038 0.000 0.791 149 N CB 2.085 40.605 38.487 0.054 0.000 1.279 149 N HN -0.221 nan 8.380 nan 0.000 0.535 150 P HA -0.113 nan 4.420 nan 0.000 0.218 150 P C 1.326 178.668 177.300 0.069 0.000 1.148 150 P CA 1.174 64.314 63.100 0.067 0.000 0.822 150 P CB 0.283 32.012 31.700 0.048 0.000 0.784 151 S N -0.150 115.582 115.700 0.054 0.000 2.469 151 S HA -0.137 4.324 4.470 -0.015 0.000 0.238 151 S C 1.662 176.299 174.600 0.063 0.000 0.998 151 S CA 1.155 59.385 58.200 0.050 0.000 0.957 151 S CB -1.404 61.818 63.200 0.036 0.000 0.764 151 S HN 0.357 nan 8.310 nan 0.000 0.514 152 I N -1.581 119.040 120.570 0.085 0.000 4.018 152 I HA 0.358 4.519 4.170 -0.015 0.000 0.337 152 I C -0.082 176.154 176.117 0.198 0.000 1.327 152 I CA -0.651 60.715 61.300 0.109 0.000 1.100 152 I CB 0.080 38.132 38.000 0.086 0.000 1.025 152 I HN -0.031 nan 8.210 nan 0.000 0.396 153 S N 3.360 119.154 115.700 0.156 0.000 2.568 153 S HA 0.215 4.676 4.470 -0.015 0.000 0.282 153 S C -2.123 172.503 174.600 0.044 0.000 1.338 153 S CA -0.449 57.835 58.200 0.140 0.000 1.045 153 S CB -0.038 63.243 63.200 0.136 0.000 0.873 153 S HN 0.182 nan 8.310 nan 0.000 0.516 154 P HA 0.104 nan 4.420 nan 0.000 0.269 154 P C -0.328 176.824 177.300 -0.247 0.000 1.209 154 P CA -0.331 62.446 63.100 -0.539 0.000 0.776 154 P CB 0.296 31.318 31.700 -1.130 0.000 0.876 155 E N 1.770 121.852 120.200 -0.196 0.000 2.398 155 E HA 0.318 4.659 4.350 -0.015 0.000 0.263 155 E C 1.088 177.638 176.600 -0.084 0.000 1.046 155 E CA 0.152 56.499 56.400 -0.087 0.000 0.908 155 E CB -0.602 29.065 29.700 -0.055 0.000 0.963 155 E HN 0.709 nan 8.360 nan 0.000 0.431 156 G N 2.236 111.017 108.800 -0.031 0.000 2.176 156 G HA2 -0.304 3.647 3.960 -0.015 0.000 0.253 156 G HA3 -0.304 3.647 3.960 -0.015 0.000 0.253 156 G C 0.166 175.060 174.900 -0.010 0.000 0.979 156 G CA 0.140 45.234 45.100 -0.011 0.000 0.641 156 G HN 0.676 nan 8.290 nan 0.000 0.530 157 S N 1.669 117.366 115.700 -0.007 0.000 2.552 157 S HA 0.388 4.849 4.470 -0.015 0.000 0.289 157 S C 0.959 175.534 174.600 -0.042 0.000 1.304 157 S CA -0.128 58.074 58.200 0.003 0.000 1.063 157 S CB 0.585 63.833 63.200 0.080 0.000 0.848 157 S HN 0.464 nan 8.310 nan 0.000 0.499 158 R N 2.547 122.919 120.500 -0.213 0.000 2.500 158 R HA 0.383 4.714 4.340 -0.015 0.000 0.275 158 R C -2.669 173.697 176.300 0.110 0.000 1.051 158 R CA -2.631 53.373 56.100 -0.160 0.000 1.088 158 R CB -0.852 29.185 30.300 -0.437 0.000 1.063 158 R HN 0.333 nan 8.270 nan 0.000 0.511 159 P HA -0.093 nan 4.420 nan 0.000 0.265 159 P C -0.119 177.441 177.300 0.433 0.000 1.187 159 P CA 0.025 63.289 63.100 0.274 0.000 0.766 159 P CB 0.392 32.207 31.700 0.192 0.000 0.820 160 W N 3.849 125.308 121.300 0.264 0.000 2.476 160 W HA 0.018 4.669 4.660 -0.015 0.000 0.338 160 W C 0.972 177.565 176.519 0.124 0.000 1.328 160 W CA 1.639 59.124 57.345 0.233 0.000 1.300 160 W CB -0.245 29.306 29.460 0.151 0.000 1.252 160 W HN 0.824 nan 8.180 nan 0.000 0.568 161 G N 3.274 111.776 108.800 -0.496 0.000 2.233 161 G HA2 -0.397 3.554 3.960 -0.015 0.000 0.270 161 G HA3 -0.397 3.554 3.960 -0.015 0.000 0.270 161 G C 1.028 175.891 174.900 -0.063 0.000 1.011 161 G CA 0.813 45.682 45.100 -0.386 0.000 0.762 161 G HN 0.890 nan 8.290 nan 0.000 0.511 162 S N -0.901 114.867 115.700 0.114 0.000 2.489 162 S HA 0.318 4.780 4.470 -0.015 0.000 0.228 162 S C 0.699 175.371 174.600 0.120 0.000 0.995 162 S CA 1.060 59.343 58.200 0.137 0.000 0.934 162 S CB 0.072 63.378 63.200 0.176 0.000 0.771 162 S HN 1.338 nan 8.310 nan 0.000 0.522 163 E N -0.490 119.806 120.200 0.161 0.000 2.401 163 E HA 0.373 4.714 4.350 -0.015 0.000 0.280 163 E C -2.186 174.489 176.600 0.125 0.000 1.039 163 E CA -1.108 55.369 56.400 0.129 0.000 0.814 163 E CB 0.129 29.914 29.700 0.142 0.000 1.275 163 E HN -0.107 nan 8.360 nan 0.000 0.448 164 D N 2.657 123.096 120.400 0.065 0.000 2.443 164 D HA 0.173 4.804 4.640 -0.015 0.000 0.239 164 D C -1.857 174.519 176.300 0.125 0.000 1.136 164 D CA -0.803 53.216 54.000 0.032 0.000 0.879 164 D CB 0.445 41.251 40.800 0.010 0.000 1.195 164 D HN 0.248 nan 8.370 nan 0.000 0.443 165 P HA 0.096 nan 4.420 nan 0.000 0.274 165 P C -0.290 177.071 177.300 0.102 0.000 1.246 165 P CA -0.304 62.925 63.100 0.214 0.000 0.795 165 P CB 0.827 32.618 31.700 0.151 0.000 1.006 166 T N -3.315 111.286 114.554 0.078 0.000 2.858 166 T HA 0.471 4.812 4.350 -0.015 0.000 0.285 166 T C -2.243 172.467 174.700 0.018 0.000 1.052 166 T CA -1.986 60.131 62.100 0.027 0.000 1.009 166 T CB 0.875 69.746 68.868 0.003 0.000 1.241 166 T HN 0.035 nan 8.240 nan 0.000 0.542 167 P HA 0.061 nan 4.420 nan 0.000 0.228 167 P C 1.063 178.365 177.300 0.003 0.000 1.151 167 P CA 0.981 64.106 63.100 0.042 0.000 0.770 167 P CB -0.018 31.708 31.700 0.042 0.000 0.786 168 T N -6.600 107.909 114.554 -0.076 0.000 3.058 168 T HA 0.165 4.506 4.350 -0.015 0.000 0.278 168 T C 0.653 175.120 174.700 -0.387 0.000 0.974 168 T CA -0.293 61.694 62.100 -0.189 0.000 0.893 168 T CB -0.526 68.300 68.868 -0.069 0.000 1.138 168 T HN 0.040 nan 8.240 nan 0.000 0.529 169 S N 1.045 116.567 115.700 -0.298 0.000 2.593 169 S HA 0.673 5.134 4.470 -0.015 0.000 0.269 169 S C -0.777 173.498 174.600 -0.541 0.000 1.334 169 S CA -0.573 57.429 58.200 -0.331 0.000 1.015 169 S CB 0.101 63.169 63.200 -0.220 0.000 0.912 169 S HN 0.256 nan 8.310 nan 0.000 0.541 170 F N 0.178 119.985 119.950 -0.238 0.000 2.565 170 F HA 0.570 5.088 4.527 -0.015 0.000 0.313 170 F C -0.074 175.518 175.800 -0.347 0.000 1.091 170 F CA -1.145 56.776 58.000 -0.131 0.000 0.915 170 F CB 1.734 40.677 39.000 -0.095 0.000 1.208 170 F HN 0.581 nan 8.300 nan 0.000 0.453 171 F N 0.298 120.412 119.950 0.273 0.000 2.746 171 F HA 0.348 4.866 4.527 -0.015 0.000 0.320 171 F C 1.438 177.474 175.800 0.393 0.000 1.097 171 F CA 0.094 58.224 58.000 0.216 0.000 1.195 171 F CB 0.866 39.826 39.000 -0.066 0.000 1.056 171 F HN 0.698 nan 8.300 nan 0.000 0.562 172 G N 0.812 109.918 108.800 0.511 0.000 2.132 172 G HA2 -0.179 3.772 3.960 -0.015 0.000 0.234 172 G HA3 -0.179 3.772 3.960 -0.015 0.000 0.234 172 G C 0.674 175.864 174.900 0.482 0.000 0.989 172 G CA -0.257 45.104 45.100 0.434 0.000 0.676 172 G HN 0.701 nan 8.290 nan 0.000 0.522 173 G N 0.053 109.207 108.800 0.589 0.000 2.491 173 G HA2 0.569 4.520 3.960 -0.015 0.000 0.238 173 G HA3 0.569 4.520 3.960 -0.015 0.000 0.238 173 G C 0.026 175.096 174.900 0.285 0.000 1.277 173 G CA 0.829 46.207 45.100 0.463 0.000 0.851 173 G HN 1.055 nan 8.290 nan 0.000 0.573 174 D N -0.252 120.227 120.400 0.133 0.000 2.677 174 D HA 0.219 4.850 4.640 -0.015 0.000 0.298 174 D C 1.158 177.429 176.300 -0.048 0.000 1.250 174 D CA -0.930 53.111 54.000 0.068 0.000 0.888 174 D CB 0.557 41.466 40.800 0.182 0.000 1.397 174 D HN 0.180 nan 8.370 nan 0.000 0.461 175 L N -0.901 120.295 121.223 -0.046 0.000 2.083 175 L HA -0.140 4.191 4.340 -0.015 0.000 0.209 175 L C 2.345 179.220 176.870 0.009 0.000 1.083 175 L CA 1.344 56.154 54.840 -0.050 0.000 0.752 175 L CB -0.434 41.615 42.059 -0.015 0.000 0.899 175 L HN 0.499 nan 8.230 nan 0.000 0.433 176 Q N 0.733 120.552 119.800 0.031 0.000 2.135 176 Q HA -0.154 4.178 4.340 -0.015 0.000 0.204 176 Q C 2.113 178.125 176.000 0.021 0.000 0.981 176 Q CA 2.010 57.825 55.803 0.021 0.000 0.856 176 Q CB -0.622 28.127 28.738 0.017 0.000 0.902 176 Q HN 0.400 nan 8.270 nan 0.000 0.425 177 G N 0.284 109.109 108.800 0.043 0.000 2.450 177 G HA2 -0.208 3.743 3.960 -0.015 0.000 0.220 177 G HA3 -0.208 3.743 3.960 -0.015 0.000 0.220 177 G C 1.409 176.440 174.900 0.219 0.000 1.130 177 G CA 0.967 46.112 45.100 0.075 0.000 0.760 177 G HN 0.436 nan 8.290 nan 0.000 0.557 178 I N 0.392 121.099 120.570 0.229 0.000 2.233 178 I HA -0.087 4.074 4.170 -0.015 0.000 0.243 178 I C 2.631 178.861 176.117 0.190 0.000 1.093 178 I CA 0.650 62.138 61.300 0.313 0.000 1.380 178 I CB -0.207 37.850 38.000 0.096 0.000 1.067 178 I HN 0.136 nan 8.210 nan 0.000 0.413 179 I N 0.976 121.591 120.570 0.076 0.000 2.163 179 I HA -0.328 3.833 4.170 -0.015 0.000 0.243 179 I C 1.955 178.063 176.117 -0.015 0.000 1.085 179 I CA 1.462 62.775 61.300 0.023 0.000 1.347 179 I CB -0.593 37.405 38.000 -0.004 0.000 1.044 179 I HN 0.257 nan 8.210 nan 0.000 0.408 180 D N -0.303 120.056 120.400 -0.069 0.000 2.263 180 D HA -0.161 4.470 4.640 -0.015 0.000 0.208 180 D C 1.584 177.630 176.300 -0.423 0.000 0.971 180 D CA 1.302 55.152 54.000 -0.250 0.000 0.867 180 D CB -0.267 40.324 40.800 -0.348 0.000 0.929 180 D HN 0.490 nan 8.370 nan 0.000 0.492 181 H N -0.306 118.694 119.070 -0.117 0.000 2.528 181 H HA 0.233 4.780 4.556 -0.015 0.000 0.282 181 H C 1.843 177.241 175.328 0.117 0.000 1.097 181 H CA -0.149 55.825 56.048 -0.124 0.000 1.121 181 H CB 0.636 30.201 29.762 -0.329 0.000 1.590 181 H HN 0.116 nan 8.280 nan 0.000 0.553 182 L N 0.092 121.399 121.223 0.140 0.000 2.131 182 L HA -0.160 4.171 4.340 -0.015 0.000 0.210 182 L C 1.772 178.698 176.870 0.094 0.000 1.092 182 L CA 1.063 55.973 54.840 0.117 0.000 0.759 182 L CB -0.063 42.023 42.059 0.045 0.000 0.903 182 L HN 0.120 nan 8.230 nan 0.000 0.435 183 D N -0.864 119.576 120.400 0.066 0.000 2.218 183 D HA -0.226 4.406 4.640 -0.015 0.000 0.204 183 D C 1.837 178.202 176.300 0.108 0.000 0.976 183 D CA 1.052 55.083 54.000 0.052 0.000 0.853 183 D CB -0.067 40.742 40.800 0.015 0.000 0.939 183 D HN 0.367 nan 8.370 nan 0.000 0.481 184 Y N 1.361 121.705 120.300 0.074 0.000 2.200 184 Y HA -0.121 4.421 4.550 -0.015 0.000 0.290 184 Y C 2.064 178.033 175.900 0.114 0.000 1.137 184 Y CA 1.254 59.446 58.100 0.154 0.000 1.163 184 Y CB -0.299 38.342 38.460 0.302 0.000 0.988 184 Y HN -0.103 nan 8.280 nan 0.000 0.518 185 L N -1.237 120.021 121.223 0.059 0.000 2.109 185 L HA -0.160 4.171 4.340 -0.015 0.000 0.207 185 L C 2.367 179.146 176.870 -0.151 0.000 1.086 185 L CA 0.846 55.589 54.840 -0.162 0.000 0.760 185 L CB -0.761 41.226 42.059 -0.120 0.000 0.910 185 L HN 0.105 nan 8.230 nan 0.000 0.437 186 V N 0.480 120.352 119.914 -0.070 0.000 2.295 186 V HA -0.343 3.768 4.120 -0.015 0.000 0.246 186 V C 2.239 178.284 176.094 -0.080 0.000 1.049 186 V CA 2.317 64.579 62.300 -0.064 0.000 1.024 186 V CB -0.506 31.297 31.823 -0.033 0.000 0.648 186 V HN 0.525 nan 8.190 nan 0.000 0.447 187 D N -0.378 119.976 120.400 -0.077 0.000 2.149 187 D HA -0.207 4.424 4.640 -0.015 0.000 0.198 187 D C 1.933 178.165 176.300 -0.114 0.000 0.990 187 D CA 1.178 55.138 54.000 -0.066 0.000 0.839 187 D CB -0.138 40.647 40.800 -0.025 0.000 0.948 187 D HN 0.291 nan 8.370 nan 0.000 0.460 188 L N -0.457 120.631 121.223 -0.225 0.000 2.131 188 L HA 0.142 4.473 4.340 -0.015 0.000 0.210 188 L C 1.813 178.567 176.870 -0.194 0.000 1.092 188 L CA 2.022 56.683 54.840 -0.298 0.000 0.759 188 L CB -0.268 41.531 42.059 -0.434 0.000 0.903 188 L HN 0.371 nan 8.230 nan 0.000 0.435 189 G N -1.732 106.981 108.800 -0.145 0.000 2.175 189 G HA2 -0.163 3.789 3.960 -0.015 0.000 0.182 189 G HA3 -0.163 3.789 3.960 -0.015 0.000 0.182 189 G C 0.160 175.006 174.900 -0.089 0.000 1.003 189 G CA -0.060 44.979 45.100 -0.102 0.000 0.666 189 G HN 0.134 nan 8.290 nan 0.000 0.506 190 I N 2.383 122.895 120.570 -0.097 0.000 2.648 190 I HA 0.308 4.469 4.170 -0.015 0.000 0.284 190 I C 1.659 177.726 176.117 -0.083 0.000 1.153 190 I CA 1.439 62.700 61.300 -0.064 0.000 1.426 190 I CB 0.802 38.761 38.000 -0.068 0.000 1.381 190 I HN 0.360 nan 8.210 nan 0.000 0.571 191 T N 0.985 115.469 114.554 -0.117 0.000 3.170 191 T HA 0.455 4.796 4.350 -0.015 0.000 0.288 191 T C 0.383 174.926 174.700 -0.262 0.000 0.992 191 T CA -0.277 61.729 62.100 -0.157 0.000 0.909 191 T CB 0.191 68.970 68.868 -0.149 0.000 1.133 191 T HN 0.784 nan 8.240 nan 0.000 0.530 192 G N 0.837 109.472 108.800 -0.275 0.000 2.753 192 G HA2 0.645 4.596 3.960 -0.015 0.000 0.297 192 G HA3 0.645 4.596 3.960 -0.015 0.000 0.297 192 G C -1.571 173.447 174.900 0.196 0.000 1.430 192 G CA -0.758 44.080 45.100 -0.437 0.000 1.040 192 G HN 0.381 nan 8.290 nan 0.000 0.530 193 I N 1.873 122.692 120.570 0.415 0.000 2.465 193 I HA 0.322 4.483 4.170 -0.015 0.000 0.291 193 I C -1.270 175.225 176.117 0.630 0.000 1.014 193 I CA -1.088 60.506 61.300 0.490 0.000 1.093 193 I CB 2.330 40.457 38.000 0.213 0.000 1.267 193 I HN 0.549 nan 8.210 nan 0.000 0.431 194 Y N 7.818 128.360 120.300 0.403 0.000 2.334 194 Y HA 0.624 5.166 4.550 -0.015 0.000 0.336 194 Y C -1.531 174.401 175.900 0.052 0.000 0.960 194 Y CA -1.320 56.887 58.100 0.178 0.000 1.164 194 Y CB 0.876 39.398 38.460 0.104 0.000 1.155 194 Y HN 0.351 nan 8.280 nan 0.000 0.478 195 L N 6.602 127.731 121.223 -0.156 0.000 2.309 195 L HA 0.480 4.811 4.340 -0.015 0.000 0.282 195 L C 0.777 177.353 176.870 -0.490 0.000 1.036 195 L CA -0.956 53.648 54.840 -0.395 0.000 0.806 195 L CB 1.744 43.638 42.059 -0.274 0.000 1.220 195 L HN 0.769 nan 8.230 nan 0.000 0.429 196 T N 0.273 114.495 114.554 -0.554 0.000 2.698 196 T HA 0.255 4.596 4.350 -0.015 0.000 0.295 196 T C -2.464 172.011 174.700 -0.375 0.000 1.007 196 T CA -1.534 60.335 62.100 -0.386 0.000 0.980 196 T CB -0.006 68.689 68.868 -0.288 0.000 1.036 196 T HN 0.290 nan 8.240 nan 0.000 0.526 197 P HA 0.104 nan 4.420 nan 0.000 0.261 197 P C 0.353 177.439 177.300 -0.357 0.000 1.173 197 P CA 0.257 63.053 63.100 -0.507 0.000 0.760 197 P CB -0.031 31.291 31.700 -0.629 0.000 0.783 198 I N -1.990 118.278 120.570 -0.503 0.000 4.225 198 I HA 0.320 4.481 4.170 -0.015 0.000 0.327 198 I C -0.403 175.629 176.117 -0.143 0.000 1.422 198 I CA -0.311 60.902 61.300 -0.145 0.000 1.150 198 I CB 0.074 37.965 38.000 -0.182 0.000 1.192 198 I HN -0.086 nan 8.210 nan 0.000 0.440 199 F N 2.089 121.976 119.950 -0.105 0.000 2.370 199 F HA 0.475 4.993 4.527 -0.015 0.000 0.324 199 F C 1.230 176.968 175.800 -0.104 0.000 1.116 199 F CA -1.220 56.730 58.000 -0.083 0.000 1.123 199 F CB 0.281 39.236 39.000 -0.074 0.000 1.238 199 F HN -0.012 nan 8.300 nan 0.000 0.536 200 R N 1.247 121.845 120.500 0.163 0.000 2.494 200 R HA 0.255 4.586 4.340 -0.015 0.000 0.291 200 R C -0.472 175.829 176.300 0.002 0.000 0.953 200 R CA 0.620 56.747 56.100 0.045 0.000 1.098 200 R CB -0.017 30.328 30.300 0.076 0.000 0.911 200 R HN 0.741 nan 8.270 nan 0.000 0.407 201 S N 4.004 119.679 115.700 -0.041 0.000 2.558 201 S HA 0.326 4.787 4.470 -0.015 0.000 0.277 201 S C -2.348 172.233 174.600 -0.032 0.000 1.143 201 S CA -1.221 56.957 58.200 -0.037 0.000 0.865 201 S CB 1.954 65.105 63.200 -0.081 0.000 1.102 201 S HN 0.581 nan 8.310 nan 0.000 0.454 202 P HA 0.068 nan 4.420 nan 0.000 0.229 202 P C 0.657 178.008 177.300 0.086 0.000 1.160 202 P CA 0.384 63.507 63.100 0.038 0.000 0.777 202 P CB -0.143 31.592 31.700 0.059 0.000 0.814 203 S N 0.983 116.672 115.700 -0.018 0.000 2.655 203 S HA 0.130 4.591 4.470 -0.015 0.000 0.265 203 S C 1.192 175.765 174.600 -0.045 0.000 1.240 203 S CA -0.315 57.819 58.200 -0.109 0.000 0.986 203 S CB 0.093 62.958 63.200 -0.558 0.000 0.985 203 S HN 0.029 nan 8.310 nan 0.000 0.562 204 N N -0.009 118.583 118.700 -0.181 0.000 2.463 204 N HA -0.048 4.684 4.740 -0.015 0.000 0.181 204 N C 0.970 176.542 175.510 0.103 0.000 1.078 204 N CA 1.267 54.295 53.050 -0.037 0.000 0.902 204 N CB -0.865 37.437 38.487 -0.309 0.000 0.970 204 N HN 0.944 nan 8.380 nan 0.000 0.451 205 H N -1.359 117.846 119.070 0.225 0.000 2.604 205 H HA 0.421 4.968 4.556 -0.015 0.000 0.273 205 H C -0.037 175.305 175.328 0.023 0.000 0.971 205 H CA -0.161 56.071 56.048 0.306 0.000 1.249 205 H CB 0.155 30.285 29.762 0.613 0.000 1.449 205 H HN -0.037 nan 8.280 nan 0.000 0.512 206 K N -0.372 119.893 120.400 -0.225 0.000 3.129 206 K HA -0.249 4.062 4.320 -0.015 0.000 0.273 206 K C -0.705 175.844 176.600 -0.085 0.000 1.123 206 K CA 0.757 56.942 56.287 -0.171 0.000 0.800 206 K CB -2.220 30.147 32.500 -0.221 0.000 1.238 206 K HN 0.416 nan 8.250 nan 0.000 0.492 207 Y N 1.143 121.664 120.300 0.369 0.000 2.466 207 Y HA -0.011 4.530 4.550 -0.015 0.000 0.272 207 Y C 0.891 176.923 175.900 0.220 0.000 1.169 207 Y CA 0.362 58.621 58.100 0.264 0.000 1.285 207 Y CB 0.403 39.012 38.460 0.249 0.000 1.078 207 Y HN 0.193 nan 8.280 nan 0.000 0.523 208 D N -0.446 120.132 120.400 0.298 0.000 2.485 208 D HA 0.102 4.733 4.640 -0.015 0.000 0.256 208 D C -0.369 175.976 176.300 0.076 0.000 1.141 208 D CA -0.343 53.791 54.000 0.223 0.000 0.942 208 D CB 0.151 41.092 40.800 0.235 0.000 1.003 208 D HN -0.130 nan 8.370 nan 0.000 0.507 209 T N 0.837 115.374 114.554 -0.028 0.000 2.888 209 T HA 0.361 4.702 4.350 -0.015 0.000 0.301 209 T C 1.283 175.932 174.700 -0.086 0.000 1.001 209 T CA -0.054 61.920 62.100 -0.209 0.000 1.147 209 T CB 1.590 70.016 68.868 -0.737 0.000 0.931 209 T HN 0.504 nan 8.240 nan 0.000 0.541 210 A N 2.595 125.416 122.820 0.002 0.000 1.973 210 A HA 0.255 4.567 4.320 -0.015 0.000 0.210 210 A C 0.823 178.581 177.584 0.290 0.000 1.200 210 A CA 0.226 52.363 52.037 0.167 0.000 0.707 210 A CB 0.373 19.441 19.000 0.114 0.000 0.862 210 A HN 0.701 nan 8.150 nan 0.000 0.461 211 D N -1.911 118.592 120.400 0.172 0.000 2.613 211 D HA 0.331 4.962 4.640 -0.015 0.000 0.230 211 D C -0.752 175.668 176.300 0.200 0.000 1.365 211 D CA -0.503 53.679 54.000 0.304 0.000 0.976 211 D CB 0.501 41.459 40.800 0.263 0.000 1.415 211 D HN 0.143 nan 8.370 nan 0.000 0.589 212 Y N 1.793 122.248 120.300 0.259 0.000 2.616 212 Y HA 0.103 4.644 4.550 -0.015 0.000 0.296 212 Y C 1.530 177.227 175.900 -0.340 0.000 1.154 212 Y CA 0.551 58.599 58.100 -0.087 0.000 1.325 212 Y CB -0.051 38.343 38.460 -0.112 0.000 1.007 212 Y HN 0.385 nan 8.280 nan 0.000 0.542 213 F N -0.385 119.684 119.950 0.197 0.000 2.664 213 F HA 0.194 4.712 4.527 -0.015 0.000 0.303 213 F C 0.304 176.215 175.800 0.186 0.000 1.092 213 F CA -0.090 57.940 58.000 0.050 0.000 1.305 213 F CB 0.568 39.484 39.000 -0.140 0.000 1.054 213 F HN -0.172 nan 8.300 nan 0.000 0.565 214 E N 0.562 121.005 120.200 0.406 0.000 2.256 214 E HA 0.302 4.643 4.350 -0.015 0.000 0.268 214 E C -0.657 176.194 176.600 0.419 0.000 0.877 214 E CA -0.576 56.057 56.400 0.390 0.000 0.757 214 E CB 2.880 32.733 29.700 0.255 0.000 1.183 214 E HN -0.265 nan 8.360 nan 0.000 0.418 215 V N 2.447 122.616 119.914 0.425 0.000 2.637 215 V HA -0.035 4.076 4.120 -0.015 0.000 0.296 215 V C 0.829 177.038 176.094 0.192 0.000 1.046 215 V CA -0.082 62.416 62.300 0.330 0.000 1.066 215 V CB 0.780 32.761 31.823 0.264 0.000 0.968 215 V HN 0.598 nan 8.190 nan 0.000 0.483 216 D N 6.094 126.557 120.400 0.106 0.000 2.487 216 D HA 0.029 4.660 4.640 -0.015 0.000 0.243 216 D C -1.624 174.640 176.300 -0.059 0.000 1.154 216 D CA -1.127 52.839 54.000 -0.057 0.000 0.876 216 D CB 1.777 42.378 40.800 -0.332 0.000 1.161 216 D HN 0.274 nan 8.370 nan 0.000 0.478 217 P HA -0.155 nan 4.420 nan 0.000 0.218 217 P C 0.809 177.967 177.300 -0.236 0.000 1.146 217 P CA 1.080 64.063 63.100 -0.194 0.000 0.813 217 P CB 0.115 31.633 31.700 -0.304 0.000 0.778 218 H N -3.167 115.859 119.070 -0.073 0.000 2.529 218 H HA 0.105 4.652 4.556 -0.015 0.000 0.277 218 H C 1.309 176.743 175.328 0.177 0.000 0.999 218 H CA 0.791 56.817 56.048 -0.037 0.000 1.256 218 H CB -0.162 29.491 29.762 -0.182 0.000 1.402 218 H HN 0.186 nan 8.280 nan 0.000 0.566 219 F N 0.036 120.037 119.950 0.085 0.000 2.582 219 F HA 0.349 4.867 4.527 -0.015 0.000 0.290 219 F C 1.671 177.495 175.800 0.040 0.000 1.115 219 F CA 0.676 58.708 58.000 0.053 0.000 1.445 219 F CB 0.455 39.456 39.000 0.002 0.000 1.126 219 F HN 0.225 nan 8.300 nan 0.000 0.574 220 G N -0.166 108.768 108.800 0.222 0.000 2.332 220 G HA2 0.244 4.195 3.960 -0.015 0.000 0.265 220 G HA3 0.244 4.195 3.960 -0.015 0.000 0.265 220 G C -1.998 172.980 174.900 0.130 0.000 1.329 220 G CA -0.332 44.855 45.100 0.145 0.000 0.949 220 G HN 0.159 nan 8.290 nan 0.000 0.476 221 D N -1.076 119.406 120.400 0.137 0.000 2.585 221 D HA 0.581 5.212 4.640 -0.015 0.000 0.254 221 D C 0.944 177.374 176.300 0.216 0.000 1.067 221 D CA -0.748 53.349 54.000 0.162 0.000 1.090 221 D CB 1.144 42.024 40.800 0.134 0.000 1.408 221 D HN 0.470 nan 8.370 nan 0.000 0.554 222 K N -0.716 119.856 120.400 0.285 0.000 2.147 222 K HA -0.126 4.185 4.320 -0.015 0.000 0.205 222 K C 1.317 178.180 176.600 0.439 0.000 1.049 222 K CA 1.286 57.831 56.287 0.430 0.000 0.936 222 K CB -0.059 32.792 32.500 0.585 0.000 0.722 222 K HN 0.352 nan 8.250 nan 0.000 0.446 223 E N 0.065 120.431 120.200 0.277 0.000 2.077 223 E HA -0.119 4.222 4.350 -0.015 0.000 0.193 223 E C 1.978 178.684 176.600 0.176 0.000 0.989 223 E CA 1.506 58.026 56.400 0.201 0.000 0.800 223 E CB -0.443 29.335 29.700 0.129 0.000 0.746 223 E HN 0.187 nan 8.360 nan 0.000 0.452 224 T N 1.111 115.758 114.554 0.155 0.000 2.777 224 T HA -0.108 4.233 4.350 -0.015 0.000 0.266 224 T C 1.745 176.517 174.700 0.120 0.000 1.040 224 T CA 0.956 63.124 62.100 0.114 0.000 1.141 224 T CB -0.283 68.643 68.868 0.097 0.000 0.868 224 T HN 0.047 nan 8.240 nan 0.000 0.444 225 L N 1.309 122.626 121.223 0.157 0.000 2.083 225 L HA 0.041 4.372 4.340 -0.015 0.000 0.209 225 L C 2.218 179.208 176.870 0.200 0.000 1.083 225 L CA 1.848 56.764 54.840 0.127 0.000 0.752 225 L CB -0.558 41.544 42.059 0.072 0.000 0.899 225 L HN -0.010 nan 8.230 nan 0.000 0.433 226 K N -0.939 119.667 120.400 0.343 0.000 2.057 226 K HA -0.115 4.197 4.320 -0.015 0.000 0.207 226 K C 1.943 178.620 176.600 0.129 0.000 1.049 226 K CA 2.085 58.561 56.287 0.315 0.000 0.931 226 K CB -0.618 32.037 32.500 0.258 0.000 0.714 226 K HN 0.403 nan 8.250 nan 0.000 0.440 227 T N 1.427 116.040 114.554 0.100 0.000 2.746 227 T HA -0.141 4.200 4.350 -0.015 0.000 0.267 227 T C 1.557 176.266 174.700 0.014 0.000 1.039 227 T CA 1.323 63.450 62.100 0.046 0.000 1.142 227 T CB -0.298 68.595 68.868 0.042 0.000 0.866 227 T HN 0.173 nan 8.240 nan 0.000 0.444 228 L N 1.246 122.479 121.223 0.017 0.000 1.989 228 L HA 0.002 4.333 4.340 -0.015 0.000 0.211 228 L C 2.146 178.972 176.870 -0.072 0.000 1.071 228 L CA 1.616 56.445 54.840 -0.018 0.000 0.749 228 L CB -0.756 41.292 42.059 -0.017 0.000 0.890 228 L HN 0.271 nan 8.230 nan 0.000 0.431 229 I N -0.234 120.284 120.570 -0.086 0.000 2.179 229 I HA -0.284 3.877 4.170 -0.015 0.000 0.242 229 I C 2.058 177.940 176.117 -0.392 0.000 1.088 229 I CA 1.433 62.581 61.300 -0.253 0.000 1.357 229 I CB -0.639 37.269 38.000 -0.154 0.000 1.051 229 I HN 0.302 nan 8.210 nan 0.000 0.409 230 D N 0.463 120.769 120.400 -0.157 0.000 2.144 230 D HA -0.195 4.436 4.640 -0.015 0.000 0.199 230 D C 2.231 178.505 176.300 -0.043 0.000 0.984 230 D CA 1.091 55.053 54.000 -0.065 0.000 0.834 230 D CB -0.248 40.553 40.800 0.003 0.000 0.955 230 D HN 0.099 nan 8.370 nan 0.000 0.465 231 R N 0.366 120.834 120.500 -0.052 0.000 2.092 231 R HA -0.010 4.321 4.340 -0.015 0.000 0.231 231 R C 2.212 178.491 176.300 -0.036 0.000 1.119 231 R CA 0.900 56.981 56.100 -0.031 0.000 0.970 231 R CB -0.890 29.395 30.300 -0.026 0.000 0.864 231 R HN 0.161 nan 8.270 nan 0.000 0.440 232 C N -0.305 118.946 119.300 -0.081 0.000 2.432 232 C HA -0.071 4.381 4.460 -0.015 0.000 0.277 232 C C 2.423 177.414 174.990 0.003 0.000 1.249 232 C CA 0.776 59.755 59.018 -0.064 0.000 1.725 232 C CB -1.113 26.561 27.740 -0.111 0.000 2.028 232 C HN 0.546 nan 8.230 nan 0.000 0.477 233 H N 0.595 119.633 119.070 -0.053 0.000 2.352 233 H HA -0.140 4.407 4.556 -0.015 0.000 0.299 233 H C 2.163 177.450 175.328 -0.068 0.000 1.097 233 H CA 1.931 57.933 56.048 -0.075 0.000 1.311 233 H CB -0.839 28.883 29.762 -0.067 0.000 1.377 233 H HN 0.648 nan 8.280 nan 0.000 0.504 234 E N 1.224 121.472 120.200 0.080 0.000 2.118 234 E HA -0.173 4.168 4.350 -0.015 0.000 0.195 234 E C 1.087 177.687 176.600 0.001 0.000 0.992 234 E CA 1.199 57.614 56.400 0.024 0.000 0.804 234 E CB 0.075 29.780 29.700 0.010 0.000 0.741 234 E HN 0.379 nan 8.360 nan 0.000 0.458 235 K N -0.834 119.565 120.400 -0.002 0.000 2.417 235 K HA 0.131 4.442 4.320 -0.015 0.000 0.196 235 K C 0.681 177.264 176.600 -0.029 0.000 1.023 235 K CA 0.411 56.687 56.287 -0.017 0.000 1.122 235 K CB 0.692 33.181 32.500 -0.018 0.000 0.850 235 K HN 0.304 nan 8.250 nan 0.000 0.521 236 G N 1.919 110.702 108.800 -0.028 0.000 2.147 236 G HA2 -0.254 3.698 3.960 -0.015 0.000 0.244 236 G HA3 -0.254 3.698 3.960 -0.015 0.000 0.244 236 G C -0.054 174.802 174.900 -0.074 0.000 1.005 236 G CA -0.210 44.855 45.100 -0.058 0.000 0.713 236 G HN 0.264 nan 8.290 nan 0.000 0.515 237 I N 0.815 121.361 120.570 -0.040 0.000 2.378 237 I HA 0.451 4.612 4.170 -0.015 0.000 0.291 237 I C 0.770 176.872 176.117 -0.025 0.000 0.992 237 I CA -0.995 60.269 61.300 -0.060 0.000 1.154 237 I CB 1.215 39.192 38.000 -0.038 0.000 1.315 237 I HN -0.031 nan 8.210 nan 0.000 0.448 238 R N 4.728 125.155 120.500 -0.122 0.000 2.500 238 R HA 0.651 4.983 4.340 -0.015 0.000 0.277 238 R C -0.962 175.387 176.300 0.082 0.000 1.026 238 R CA -0.773 55.272 56.100 -0.093 0.000 1.058 238 R CB 1.969 32.014 30.300 -0.426 0.000 1.078 238 R HN 0.314 nan 8.270 nan 0.000 0.509 239 V N 3.370 123.380 119.914 0.161 0.000 2.540 239 V HA 0.407 4.518 4.120 -0.015 0.000 0.302 239 V C -0.174 176.069 176.094 0.248 0.000 1.035 239 V CA -0.734 61.682 62.300 0.193 0.000 0.873 239 V CB 1.702 33.538 31.823 0.023 0.000 0.992 239 V HN 0.702 nan 8.190 nan 0.000 0.428 240 M N 5.926 125.721 119.600 0.326 0.000 2.253 240 M HA 0.643 5.115 4.480 -0.015 0.000 0.314 240 M C -1.663 174.677 176.300 0.067 0.000 1.019 240 M CA -0.346 55.062 55.300 0.179 0.000 0.932 240 M CB 1.409 34.109 32.600 0.167 0.000 1.606 240 M HN 0.532 nan 8.290 nan 0.000 0.430 241 L N 2.127 123.262 121.223 -0.147 0.000 2.365 241 L HA 0.531 4.862 4.340 -0.015 0.000 0.267 241 L C -0.303 176.626 176.870 0.098 0.000 1.033 241 L CA -0.948 53.792 54.840 -0.167 0.000 0.802 241 L CB 1.292 43.055 42.059 -0.492 0.000 1.267 241 L HN 0.635 nan 8.230 nan 0.000 0.457 242 D N 1.069 121.526 120.400 0.094 0.000 2.274 242 D HA 0.422 5.053 4.640 -0.015 0.000 0.239 242 D C -0.750 175.665 176.300 0.192 0.000 1.104 242 D CA -0.161 53.941 54.000 0.171 0.000 0.840 242 D CB 1.840 42.697 40.800 0.095 0.000 1.100 242 D HN 0.537 nan 8.370 nan 0.000 0.477 243 A N 3.833 126.711 122.820 0.096 0.000 2.253 243 A HA 0.415 4.726 4.320 -0.015 0.000 0.316 243 A C -0.176 177.273 177.584 -0.226 0.000 1.327 243 A CA -0.639 51.197 52.037 -0.336 0.000 0.917 243 A CB 0.627 18.896 19.000 -1.219 0.000 1.162 243 A HN 0.373 nan 8.150 nan 0.000 0.535 244 V N 4.466 124.448 119.914 0.114 0.000 2.154 244 V HA 0.141 4.252 4.120 -0.015 0.000 0.265 244 V C 0.060 176.365 176.094 0.352 0.000 1.293 244 V CA -0.019 62.381 62.300 0.166 0.000 1.205 244 V CB -0.975 30.936 31.823 0.146 0.000 1.306 244 V HN 0.839 nan 8.190 nan 0.000 0.479 245 F N 1.401 121.304 119.950 -0.079 0.000 2.776 245 F HA 0.122 4.641 4.527 -0.015 0.000 0.300 245 F C 1.990 177.640 175.800 -0.251 0.000 1.116 245 F CA 0.031 57.893 58.000 -0.230 0.000 1.375 245 F CB -0.810 38.007 39.000 -0.306 0.000 1.109 245 F HN 0.457 nan 8.300 nan 0.000 0.585 246 N N -0.153 118.565 118.700 0.029 0.000 2.216 246 N HA -0.127 4.604 4.740 -0.015 0.000 0.183 246 N C 0.275 175.884 175.510 0.166 0.000 1.017 246 N CA 1.032 54.135 53.050 0.087 0.000 0.861 246 N CB 0.083 38.726 38.487 0.260 0.000 0.986 246 N HN 0.309 nan 8.380 nan 0.000 0.428 247 H N -2.623 116.533 119.070 0.142 0.000 3.016 247 H HA 0.429 4.976 4.556 -0.015 0.000 0.362 247 H C -0.477 174.950 175.328 0.164 0.000 1.233 247 H CA -0.950 55.192 56.048 0.156 0.000 1.124 247 H CB 0.417 30.280 29.762 0.169 0.000 1.850 247 H HN 0.188 nan 8.280 nan 0.000 0.549 248 C N 0.328 119.746 119.300 0.195 0.000 2.604 248 C HA 0.982 5.433 4.460 -0.015 0.000 0.416 248 C C 0.966 176.026 174.990 0.117 0.000 1.566 248 C CA -0.078 58.983 59.018 0.070 0.000 1.812 248 C CB 0.894 28.562 27.740 -0.120 0.000 2.028 248 C HN 1.034 nan 8.230 nan 0.000 0.489 249 G N -1.849 107.001 108.800 0.083 0.000 2.491 249 G HA2 0.444 4.395 3.960 -0.015 0.000 0.327 249 G HA3 0.444 4.395 3.960 -0.015 0.000 0.327 249 G C -0.341 174.634 174.900 0.124 0.000 1.189 249 G CA -0.385 44.792 45.100 0.128 0.000 0.956 249 G HN 0.909 nan 8.290 nan 0.000 0.491 250 Y N -0.434 119.871 120.300 0.008 0.000 2.315 250 Y HA -0.099 4.442 4.550 -0.015 0.000 0.288 250 Y C 2.392 178.382 175.900 0.150 0.000 1.154 250 Y CA 2.069 60.189 58.100 0.034 0.000 1.229 250 Y CB 0.337 38.790 38.460 -0.012 0.000 0.980 250 Y HN 0.605 nan 8.280 nan 0.000 0.540 251 E N -0.671 119.634 120.200 0.176 0.000 2.465 251 E HA -0.016 4.325 4.350 -0.015 0.000 0.191 251 E C -0.402 176.289 176.600 0.153 0.000 1.053 251 E CA -0.441 56.023 56.400 0.106 0.000 0.869 251 E CB -0.177 29.598 29.700 0.125 0.000 0.977 251 E HN 0.180 nan 8.360 nan 0.000 0.483 252 F N 1.465 121.444 119.950 0.049 0.000 2.543 252 F HA 0.115 4.633 4.527 -0.015 0.000 0.375 252 F C 1.345 177.154 175.800 0.015 0.000 1.075 252 F CA -0.455 57.592 58.000 0.078 0.000 1.225 252 F CB 0.638 39.745 39.000 0.178 0.000 1.099 252 F HN -0.045 nan 8.300 nan 0.000 0.561 253 A N 7.375 129.918 122.820 -0.462 0.000 1.884 253 A HA -0.178 4.134 4.320 -0.015 0.000 0.219 253 A C -0.499 176.692 177.584 -0.655 0.000 1.197 253 A CA 2.111 53.840 52.037 -0.512 0.000 0.637 253 A CB -2.101 16.589 19.000 -0.517 0.000 0.827 253 A HN 0.709 nan 8.150 nan 0.000 0.450 254 P HA -0.142 nan 4.420 nan 0.000 0.216 254 P C 1.386 178.592 177.300 -0.158 0.000 1.150 254 P CA 1.100 63.578 63.100 -1.036 0.000 0.837 254 P CB -0.121 30.744 31.700 -1.392 0.000 0.786 255 F N 0.381 120.310 119.950 -0.036 0.000 2.146 255 F HA -0.147 4.371 4.527 -0.015 0.000 0.298 255 F C 2.206 177.872 175.800 -0.223 0.000 1.096 255 F CA 1.446 59.323 58.000 -0.205 0.000 1.275 255 F CB -0.660 38.166 39.000 -0.291 0.000 1.008 255 F HN -0.170 nan 8.300 nan 0.000 0.480 256 Q N 0.088 119.747 119.800 -0.235 0.000 2.096 256 Q HA -0.264 4.067 4.340 -0.015 0.000 0.204 256 Q C 1.894 177.777 176.000 -0.195 0.000 0.982 256 Q CA 2.079 57.718 55.803 -0.274 0.000 0.850 256 Q CB -0.799 27.822 28.738 -0.196 0.000 0.901 256 Q HN 0.508 nan 8.270 nan 0.000 0.422 257 D N -0.310 119.985 120.400 -0.175 0.000 2.117 257 D HA -0.121 4.510 4.640 -0.015 0.000 0.197 257 D C 1.881 178.134 176.300 -0.079 0.000 0.987 257 D CA 1.019 54.967 54.000 -0.088 0.000 0.829 257 D CB 0.198 40.992 40.800 -0.011 0.000 0.961 257 D HN 0.018 nan 8.370 nan 0.000 0.460 258 V N 0.405 120.253 119.914 -0.109 0.000 2.427 258 V HA -0.158 3.953 4.120 -0.015 0.000 0.248 258 V C 2.092 178.058 176.094 -0.215 0.000 1.051 258 V CA 1.390 63.630 62.300 -0.100 0.000 1.048 258 V CB -0.745 31.057 31.823 -0.034 0.000 0.666 258 V HN 0.489 nan 8.190 nan 0.000 0.456 259 W N 1.436 122.380 121.300 -0.593 0.000 2.374 259 W HA -0.181 4.470 4.660 -0.015 0.000 0.288 259 W C 2.318 178.692 176.519 -0.241 0.000 1.218 259 W CA 2.161 59.195 57.345 -0.520 0.000 1.245 259 W CB 0.067 29.123 29.460 -0.673 0.000 1.126 259 W HN 0.267 nan 8.180 nan 0.000 0.545 260 K N -0.141 120.205 120.400 -0.090 0.000 2.128 260 K HA -0.055 4.256 4.320 -0.015 0.000 0.202 260 K C 1.227 177.758 176.600 -0.115 0.000 1.050 260 K CA 1.026 57.261 56.287 -0.087 0.000 0.966 260 K CB -0.198 32.300 32.500 -0.004 0.000 0.759 260 K HN -0.067 nan 8.250 nan 0.000 0.454 261 N N 0.445 119.086 118.700 -0.100 0.000 2.230 261 N HA 0.072 4.803 4.740 -0.015 0.000 0.202 261 N C 0.728 176.172 175.510 -0.110 0.000 1.119 261 N CA 0.708 53.701 53.050 -0.094 0.000 0.851 261 N CB 1.028 39.469 38.487 -0.076 0.000 0.990 261 N HN 0.360 nan 8.380 nan 0.000 0.497 262 G N 2.451 111.195 108.800 -0.092 0.000 2.652 262 G HA2 -0.415 3.536 3.960 -0.015 0.000 0.318 262 G HA3 -0.415 3.536 3.960 -0.015 0.000 0.318 262 G C 0.732 175.461 174.900 -0.284 0.000 1.295 262 G CA 0.729 45.816 45.100 -0.022 0.000 0.999 262 G HN 0.383 nan 8.290 nan 0.000 0.548 263 E N 0.685 120.416 120.200 -0.782 0.000 2.401 263 E HA -0.057 4.284 4.350 -0.015 0.000 0.199 263 E C 2.493 178.798 176.600 -0.491 0.000 1.023 263 E CA 1.544 57.257 56.400 -1.146 0.000 0.859 263 E CB -0.235 28.771 29.700 -1.157 0.000 0.780 263 E HN 0.589 nan 8.360 nan 0.000 0.523 264 S N -0.698 114.821 115.700 -0.301 0.000 2.575 264 S HA 0.066 4.527 4.470 -0.015 0.000 0.215 264 S C 0.786 175.294 174.600 -0.152 0.000 0.966 264 S CA -0.265 57.820 58.200 -0.192 0.000 0.911 264 S CB 0.537 63.650 63.200 -0.144 0.000 0.780 264 S HN 0.078 nan 8.310 nan 0.000 0.514 265 S N 2.341 117.956 115.700 -0.141 0.000 2.564 265 S HA 0.173 4.634 4.470 -0.015 0.000 0.278 265 S C 1.119 175.641 174.600 -0.130 0.000 1.333 265 S CA -0.623 57.523 58.200 -0.092 0.000 1.048 265 S CB 0.631 63.825 63.200 -0.011 0.000 0.900 265 S HN 0.604 nan 8.310 nan 0.000 0.505 266 K N 3.044 123.298 120.400 -0.244 0.000 2.525 266 K HA -0.013 4.298 4.320 -0.015 0.000 0.192 266 K C -0.042 176.255 176.600 -0.505 0.000 1.029 266 K CA 0.959 57.020 56.287 -0.375 0.000 1.029 266 K CB -0.184 32.021 32.500 -0.492 0.000 0.814 266 K HN 0.712 nan 8.250 nan 0.000 0.503 267 Y N 1.971 122.175 120.300 -0.160 0.000 2.507 267 Y HA 0.165 4.706 4.550 -0.015 0.000 0.254 267 Y C 1.699 177.637 175.900 0.064 0.000 1.171 267 Y CA -0.589 57.324 58.100 -0.312 0.000 1.238 267 Y CB 0.579 38.712 38.460 -0.545 0.000 1.148 267 Y HN 0.117 nan 8.280 nan 0.000 0.525 268 K N -0.116 120.427 120.400 0.238 0.000 2.103 268 K HA -0.237 4.074 4.320 -0.015 0.000 0.207 268 K C 1.077 177.910 176.600 0.388 0.000 1.048 268 K CA 2.281 58.790 56.287 0.369 0.000 0.930 268 K CB -0.216 32.419 32.500 0.226 0.000 0.716 268 K HN 0.111 nan 8.250 nan 0.000 0.444 269 D N -0.495 120.076 120.400 0.284 0.000 2.349 269 D HA -0.045 4.586 4.640 -0.015 0.000 0.224 269 D C 0.469 176.842 176.300 0.123 0.000 1.029 269 D CA 0.230 54.345 54.000 0.193 0.000 0.879 269 D CB -0.010 40.865 40.800 0.125 0.000 0.906 269 D HN 0.352 nan 8.370 nan 0.000 0.528 270 W N -0.251 120.910 121.300 -0.231 0.000 2.937 270 W HA 0.194 4.845 4.660 -0.014 0.000 0.245 270 W C -0.109 175.868 176.519 -0.903 0.000 1.306 270 W CA 0.013 57.005 57.345 -0.589 0.000 1.470 270 W CB -0.247 28.739 29.460 -0.789 0.000 1.132 270 W HN -0.132 nan 8.180 nan 0.000 0.675 271 F N -2.274 117.837 119.950 0.268 0.000 2.764 271 F HA 0.354 4.872 4.527 -0.015 0.000 0.347 271 F C 0.459 176.257 175.800 -0.003 0.000 1.151 271 F CA -1.580 56.538 58.000 0.197 0.000 1.021 271 F CB 0.460 39.650 39.000 0.316 0.000 1.438 271 F HN -0.337 nan 8.300 nan 0.000 0.516 272 H N 1.923 121.195 119.070 0.336 0.000 2.486 272 H HA 0.433 4.980 4.556 -0.015 0.000 0.239 272 H C -0.753 174.539 175.328 -0.061 0.000 1.480 272 H CA -0.027 56.101 56.048 0.133 0.000 1.324 272 H CB 0.161 29.991 29.762 0.114 0.000 1.486 272 H HN 0.213 nan 8.280 nan 0.000 0.544 273 I N 2.368 122.952 120.570 0.023 0.000 2.342 273 I HA 0.034 4.195 4.170 -0.015 0.000 0.291 273 I C 1.126 177.092 176.117 -0.252 0.000 1.010 273 I CA -0.497 60.688 61.300 -0.193 0.000 1.308 273 I CB 1.238 39.058 38.000 -0.300 0.000 1.400 273 I HN 0.485 nan 8.210 nan 0.000 0.488 274 H N 4.581 123.639 119.070 -0.020 0.000 2.520 274 H HA 0.148 4.695 4.556 -0.015 0.000 0.279 274 H C 0.083 175.365 175.328 -0.077 0.000 0.990 274 H CA 0.374 56.416 56.048 -0.011 0.000 1.288 274 H CB 0.369 30.150 29.762 0.031 0.000 1.446 274 H HN 0.690 nan 8.280 nan 0.000 0.538 275 E N -0.498 119.628 120.200 -0.123 0.000 2.390 275 E HA 0.406 4.748 4.350 -0.015 0.000 0.280 275 E C -1.783 174.601 176.600 -0.359 0.000 0.992 275 E CA -0.746 55.578 56.400 -0.126 0.000 0.790 275 E CB 1.463 31.177 29.700 0.024 0.000 1.248 275 E HN -0.159 nan 8.360 nan 0.000 0.447 276 F N 1.337 121.313 119.950 0.044 0.000 2.522 276 F HA 0.534 5.052 4.527 -0.015 0.000 0.324 276 F C -1.759 174.025 175.800 -0.027 0.000 1.077 276 F CA -1.661 56.335 58.000 -0.007 0.000 0.944 276 F CB 1.320 40.310 39.000 -0.016 0.000 1.175 276 F HN 0.386 nan 8.300 nan 0.000 0.468 277 P HA 0.315 nan 4.420 nan 0.000 0.276 277 P C -0.924 176.316 177.300 -0.101 0.000 1.252 277 P CA -0.499 62.620 63.100 0.032 0.000 0.802 277 P CB 0.997 32.641 31.700 -0.095 0.000 1.035 278 L N 0.917 122.008 121.223 -0.220 0.000 2.483 278 L HA 0.167 4.498 4.340 -0.015 0.000 0.275 278 L C 1.089 177.789 176.870 -0.282 0.000 1.220 278 L CA 1.017 55.731 54.840 -0.210 0.000 0.833 278 L CB -0.298 41.600 42.059 -0.268 0.000 1.102 278 L HN 0.563 nan 8.230 nan 0.000 0.490 279 Q N -0.454 119.434 119.800 0.146 0.000 2.522 279 Q HA 0.494 4.825 4.340 -0.015 0.000 0.285 279 Q C -0.550 175.759 176.000 0.514 0.000 0.982 279 Q CA -0.284 55.668 55.803 0.248 0.000 0.805 279 Q CB 1.454 30.263 28.738 0.117 0.000 1.457 279 Q HN 0.565 nan 8.270 nan 0.000 0.394 280 T N -3.100 111.741 114.554 0.479 0.000 2.985 280 T HA 0.269 4.610 4.350 -0.015 0.000 0.254 280 T C -0.110 174.698 174.700 0.180 0.000 1.021 280 T CA -0.021 62.282 62.100 0.339 0.000 0.957 280 T CB 0.302 69.364 68.868 0.323 0.000 1.047 280 T HN 0.465 nan 8.240 nan 0.000 0.511 281 E N 2.041 122.340 120.200 0.166 0.000 2.238 281 E HA 0.332 4.673 4.350 -0.015 0.000 0.267 281 E C -2.035 174.613 176.600 0.079 0.000 0.887 281 E CA -2.438 54.022 56.400 0.100 0.000 0.769 281 E CB 2.343 32.098 29.700 0.092 0.000 1.187 281 E HN 0.002 nan 8.360 nan 0.000 0.416 282 P HA -0.100 nan 4.420 nan 0.000 0.223 282 P C 0.006 177.324 177.300 0.030 0.000 1.151 282 P CA 1.038 64.158 63.100 0.033 0.000 0.787 282 P CB 0.775 32.485 31.700 0.017 0.000 0.788 283 R N -1.835 118.690 120.500 0.042 0.000 2.764 283 R HA 0.655 4.986 4.340 -0.015 0.000 0.270 283 R C -3.384 172.938 176.300 0.036 0.000 1.014 283 R CA -2.423 53.697 56.100 0.034 0.000 0.904 283 R CB 0.077 30.392 30.300 0.024 0.000 1.236 283 R HN -0.309 nan 8.270 nan 0.000 0.466 284 P HA 0.096 nan 4.420 nan 0.000 0.271 284 P C -0.787 176.449 177.300 -0.106 0.000 1.216 284 P CA -0.386 62.594 63.100 -0.201 0.000 0.776 284 P CB 0.493 31.789 31.700 -0.673 0.000 0.881 285 N N 1.566 120.302 118.700 0.060 0.000 2.327 285 N HA 0.083 4.814 4.740 -0.015 0.000 0.231 285 N C -0.739 174.889 175.510 0.195 0.000 1.130 285 N CA -0.452 52.707 53.050 0.181 0.000 0.845 285 N CB -0.707 37.871 38.487 0.152 0.000 1.073 285 N HN 0.387 nan 8.380 nan 0.000 0.496 286 Y N -3.283 117.050 120.300 0.055 0.000 2.562 286 Y HA 0.548 5.090 4.550 -0.015 0.000 0.345 286 Y C -0.785 175.118 175.900 0.006 0.000 1.045 286 Y CA -1.728 56.284 58.100 -0.147 0.000 1.028 286 Y CB 0.768 39.245 38.460 0.028 0.000 1.297 286 Y HN -0.237 nan 8.280 nan 0.000 0.463 287 D N 2.053 122.502 120.400 0.083 0.000 2.414 287 D HA 0.330 4.961 4.640 -0.015 0.000 0.242 287 D C 0.050 176.407 176.300 0.094 0.000 1.129 287 D CA 0.834 54.881 54.000 0.080 0.000 0.885 287 D CB 1.577 42.397 40.800 0.033 0.000 1.198 287 D HN 0.819 nan 8.370 nan 0.000 0.437 288 T N -1.598 112.927 114.554 -0.049 0.000 2.865 288 T HA 0.417 4.759 4.350 -0.015 0.000 0.294 288 T C -0.350 174.277 174.700 -0.122 0.000 1.119 288 T CA -0.997 61.089 62.100 -0.024 0.000 1.007 288 T CB 0.983 69.802 68.868 -0.082 0.000 1.225 288 T HN 0.163 nan 8.240 nan 0.000 0.515 289 F N 2.576 122.367 119.950 -0.265 0.000 2.529 289 F HA 0.489 5.007 4.527 -0.015 0.000 0.365 289 F C 1.181 176.783 175.800 -0.330 0.000 1.102 289 F CA 0.619 58.386 58.000 -0.389 0.000 1.271 289 F CB -0.430 38.070 39.000 -0.834 0.000 1.120 289 F HN 1.333 nan 8.300 nan 0.000 0.579 290 A N 4.764 126.834 122.820 -1.251 0.000 5.395 290 A HA -0.351 3.961 4.320 -0.015 0.000 0.332 290 A C 0.389 177.476 177.584 -0.829 0.000 1.754 290 A CA 1.934 53.353 52.037 -1.029 0.000 0.716 290 A CB -1.727 16.675 19.000 -0.997 0.000 1.411 290 A HN 0.976 nan 8.150 nan 0.000 0.398 291 F N -0.880 118.896 119.950 -0.290 0.000 2.881 291 F HA 0.449 4.967 4.527 -0.015 0.000 0.343 291 F C -0.007 175.720 175.800 -0.122 0.000 1.233 291 F CA -0.133 57.760 58.000 -0.179 0.000 1.262 291 F CB 1.319 40.229 39.000 -0.151 0.000 0.980 291 F HN 0.272 nan 8.300 nan 0.000 0.506 292 V N 2.218 122.131 119.914 -0.002 0.000 2.334 292 V HA 0.159 4.270 4.120 -0.015 0.000 0.267 292 V C -1.565 174.560 176.094 0.051 0.000 1.040 292 V CA -1.418 60.913 62.300 0.051 0.000 0.866 292 V CB 1.286 33.172 31.823 0.105 0.000 1.019 292 V HN 0.068 nan 8.190 nan 0.000 0.468 293 P HA -0.166 nan 4.420 nan 0.000 0.216 293 P C 1.167 178.587 177.300 0.200 0.000 1.150 293 P CA 1.024 64.194 63.100 0.116 0.000 0.843 293 P CB 0.215 31.974 31.700 0.099 0.000 0.787 294 Q N -1.750 118.113 119.800 0.106 0.000 2.482 294 Q HA 0.121 4.453 4.340 -0.015 0.000 0.209 294 Q C 0.606 176.684 176.000 0.131 0.000 0.961 294 Q CA 0.719 56.593 55.803 0.118 0.000 0.945 294 Q CB -0.530 28.242 28.738 0.057 0.000 1.012 294 Q HN 0.332 nan 8.270 nan 0.000 0.515 295 M N 1.005 120.677 119.600 0.120 0.000 2.488 295 M HA 0.317 4.788 4.480 -0.015 0.000 0.204 295 M C -2.501 173.872 176.300 0.122 0.000 0.969 295 M CA -1.910 53.467 55.300 0.128 0.000 0.720 295 M CB 1.416 34.049 32.600 0.056 0.000 1.427 295 M HN -0.262 nan 8.290 nan 0.000 0.427 296 P HA 0.003 nan 4.420 nan 0.000 0.267 296 P C -0.618 176.843 177.300 0.269 0.000 1.205 296 P CA 0.046 63.176 63.100 0.050 0.000 0.765 296 P CB 0.501 31.741 31.700 -0.767 0.000 0.828 297 K N 4.143 124.753 120.400 0.350 0.000 2.368 297 K HA 0.185 4.496 4.320 -0.015 0.000 0.282 297 K C -0.396 176.503 176.600 0.498 0.000 1.035 297 K CA -0.304 56.202 56.287 0.365 0.000 0.973 297 K CB 0.058 32.686 32.500 0.213 0.000 0.957 297 K HN 0.423 nan 8.250 nan 0.000 0.474 298 L N 3.418 124.843 121.223 0.338 0.000 2.395 298 L HA 0.128 4.460 4.340 -0.015 0.000 0.269 298 L C 0.419 177.363 176.870 0.123 0.000 1.133 298 L CA -0.648 54.304 54.840 0.186 0.000 0.812 298 L CB 0.766 42.812 42.059 -0.021 0.000 1.125 298 L HN 0.675 nan 8.230 nan 0.000 0.452 299 N N 0.708 119.358 118.700 -0.082 0.000 2.602 299 N HA 0.029 4.760 4.740 -0.015 0.000 0.238 299 N C 0.804 176.169 175.510 -0.241 0.000 1.084 299 N CA -0.306 52.631 53.050 -0.189 0.000 0.952 299 N CB 0.668 38.941 38.487 -0.355 0.000 1.244 299 N HN 0.623 nan 8.380 nan 0.000 0.512 300 T N -0.538 113.879 114.554 -0.228 0.000 3.227 300 T HA 0.084 4.425 4.350 -0.015 0.000 0.257 300 T C 1.262 175.862 174.700 -0.166 0.000 1.162 300 T CA 0.500 62.382 62.100 -0.364 0.000 1.051 300 T CB 0.000 68.448 68.868 -0.700 0.000 0.953 300 T HN 0.335 nan 8.240 nan 0.000 0.535 301 A N 1.354 124.104 122.820 -0.117 0.000 2.169 301 A HA 0.232 4.543 4.320 -0.015 0.000 0.210 301 A C 1.194 178.726 177.584 -0.086 0.000 1.168 301 A CA -0.363 51.642 52.037 -0.052 0.000 0.813 301 A CB -0.207 18.782 19.000 -0.019 0.000 0.861 301 A HN 0.537 nan 8.150 nan 0.000 0.481 302 N N 0.763 119.362 118.700 -0.169 0.000 2.475 302 N HA 0.097 4.828 4.740 -0.015 0.000 0.267 302 N C -2.044 173.339 175.510 -0.213 0.000 1.169 302 N CA -1.274 51.654 53.050 -0.205 0.000 0.947 302 N CB 1.337 39.628 38.487 -0.327 0.000 1.061 302 N HN -0.099 nan 8.380 nan 0.000 0.466 303 P HA -0.140 nan 4.420 nan 0.000 0.216 303 P C 0.571 177.786 177.300 -0.141 0.000 1.153 303 P CA 1.562 64.606 63.100 -0.095 0.000 0.858 303 P CB 0.297 31.971 31.700 -0.044 0.000 0.789 304 E N -0.829 119.241 120.200 -0.216 0.000 2.106 304 E HA -0.093 4.249 4.350 -0.015 0.000 0.192 304 E C 1.973 178.200 176.600 -0.623 0.000 0.984 304 E CA 0.899 57.152 56.400 -0.246 0.000 0.806 304 E CB -0.550 29.138 29.700 -0.021 0.000 0.750 304 E HN 0.072 nan 8.360 nan 0.000 0.458 305 V N 1.860 121.191 119.914 -0.972 0.000 2.307 305 V HA -0.257 3.855 4.120 -0.015 0.000 0.245 305 V C 2.182 178.032 176.094 -0.406 0.000 1.045 305 V CA 1.706 63.420 62.300 -0.975 0.000 1.024 305 V CB -0.400 30.921 31.823 -0.837 0.000 0.651 305 V HN 0.182 nan 8.190 nan 0.000 0.449 306 K N -0.198 120.068 120.400 -0.224 0.000 2.063 306 K HA -0.248 4.063 4.320 -0.015 0.000 0.208 306 K C 2.400 179.025 176.600 0.042 0.000 1.048 306 K CA 1.634 57.950 56.287 0.049 0.000 0.928 306 K CB -0.273 32.285 32.500 0.097 0.000 0.713 306 K HN 0.143 nan 8.250 nan 0.000 0.442 307 R N 0.715 121.208 120.500 -0.012 0.000 2.081 307 R HA -0.174 4.157 4.340 -0.015 0.000 0.235 307 R C 2.066 178.412 176.300 0.076 0.000 1.131 307 R CA 1.517 57.640 56.100 0.038 0.000 0.960 307 R CB -0.922 29.409 30.300 0.050 0.000 0.856 307 R HN 0.322 nan 8.270 nan 0.000 0.436 308 Y N 0.299 120.559 120.300 -0.066 0.000 2.114 308 Y HA -0.154 4.387 4.550 -0.015 0.000 0.284 308 Y C 1.784 177.610 175.900 -0.123 0.000 1.143 308 Y CA 2.048 60.149 58.100 0.002 0.000 1.135 308 Y CB -0.212 38.263 38.460 0.025 0.000 0.980 308 Y HN 0.036 nan 8.280 nan 0.000 0.499 309 L N -0.325 120.748 121.223 -0.251 0.000 2.093 309 L HA -0.226 4.105 4.340 -0.015 0.000 0.208 309 L C 2.379 179.119 176.870 -0.215 0.000 1.085 309 L CA 1.046 55.510 54.840 -0.626 0.000 0.755 309 L CB -0.600 40.962 42.059 -0.830 0.000 0.904 309 L HN 0.323 nan 8.230 nan 0.000 0.435 310 L N -0.609 120.624 121.223 0.017 0.000 2.141 310 L HA -0.171 4.160 4.340 -0.015 0.000 0.209 310 L C 2.174 179.093 176.870 0.083 0.000 1.094 310 L CA 0.825 55.721 54.840 0.093 0.000 0.763 310 L CB -0.528 41.560 42.059 0.048 0.000 0.908 310 L HN 0.281 nan 8.230 nan 0.000 0.437 311 D N -0.247 120.180 120.400 0.045 0.000 2.117 311 D HA -0.133 4.498 4.640 -0.015 0.000 0.198 311 D C 2.351 178.761 176.300 0.183 0.000 0.982 311 D CA 1.061 55.143 54.000 0.137 0.000 0.828 311 D CB -0.074 40.833 40.800 0.179 0.000 0.967 311 D HN 0.083 nan 8.370 nan 0.000 0.464 312 V N 1.740 121.586 119.914 -0.115 0.000 2.295 312 V HA -0.261 3.851 4.120 -0.015 0.000 0.246 312 V C 2.602 178.947 176.094 0.418 0.000 1.049 312 V CA 1.885 64.068 62.300 -0.194 0.000 1.024 312 V CB -0.834 30.672 31.823 -0.528 0.000 0.648 312 V HN 0.172 nan 8.190 nan 0.000 0.447 313 A N 0.714 123.767 122.820 0.388 0.000 1.883 313 A HA -0.270 4.041 4.320 -0.015 0.000 0.217 313 A C 2.474 180.451 177.584 0.656 0.000 1.186 313 A CA 2.890 55.221 52.037 0.489 0.000 0.624 313 A CB -1.021 18.141 19.000 0.270 0.000 0.822 313 A HN 0.660 nan 8.150 nan 0.000 0.444 314 T N -4.201 110.591 114.554 0.396 0.000 3.014 314 T HA -0.107 4.234 4.350 -0.015 0.000 0.263 314 T C 1.791 176.700 174.700 0.348 0.000 1.078 314 T CA 1.250 63.544 62.100 0.324 0.000 1.135 314 T CB -0.516 68.466 68.868 0.189 0.000 0.895 314 T HN 0.451 nan 8.240 nan 0.000 0.480 315 Y N 1.214 121.667 120.300 0.255 0.000 2.070 315 Y HA -0.145 4.396 4.550 -0.015 0.000 0.280 315 Y C 1.959 177.971 175.900 0.187 0.000 1.148 315 Y CA 1.138 59.327 58.100 0.147 0.000 1.125 315 Y CB -0.771 37.758 38.460 0.114 0.000 0.975 315 Y HN 0.237 nan 8.280 nan 0.000 0.492 316 W N 0.295 121.837 121.300 0.403 0.000 2.374 316 W HA -0.157 4.494 4.660 -0.015 0.000 0.288 316 W C 2.318 178.961 176.519 0.208 0.000 1.218 316 W CA 1.278 58.803 57.345 0.299 0.000 1.245 316 W CB -0.348 29.353 29.460 0.401 0.000 1.126 316 W HN 0.096 nan 8.180 nan 0.000 0.545 317 I N -0.210 120.594 120.570 0.389 0.000 2.193 317 I HA -0.240 3.921 4.170 -0.015 0.000 0.240 317 I C 2.716 178.916 176.117 0.138 0.000 1.084 317 I CA 1.294 62.733 61.300 0.231 0.000 1.365 317 I CB -0.638 37.505 38.000 0.237 0.000 1.064 317 I HN -0.099 nan 8.210 nan 0.000 0.410 318 R N 0.943 121.499 120.500 0.095 0.000 2.070 318 R HA -0.177 4.154 4.340 -0.015 0.000 0.233 318 R C 2.070 178.315 176.300 -0.090 0.000 1.137 318 R CA 1.586 57.692 56.100 0.011 0.000 0.945 318 R CB 0.006 30.317 30.300 0.017 0.000 0.845 318 R HN 0.264 nan 8.270 nan 0.000 0.430 319 E N -0.868 119.197 120.200 -0.225 0.000 2.299 319 E HA -0.077 4.264 4.350 -0.015 0.000 0.193 319 E C 1.109 177.300 176.600 -0.683 0.000 0.998 319 E CA 0.834 56.936 56.400 -0.497 0.000 0.851 319 E CB 0.239 29.443 29.700 -0.827 0.000 0.795 319 E HN 0.396 nan 8.360 nan 0.000 0.492 320 F N -0.271 119.643 119.950 -0.060 0.000 2.767 320 F HA 0.157 4.675 4.527 -0.015 0.000 0.323 320 F C 0.245 176.085 175.800 0.067 0.000 1.091 320 F CA -0.353 57.677 58.000 0.050 0.000 1.192 320 F CB 0.725 39.840 39.000 0.191 0.000 1.056 320 F HN -0.200 nan 8.300 nan 0.000 0.571 321 D N 2.244 122.754 120.400 0.184 0.000 2.800 321 D HA -0.204 4.427 4.640 -0.015 0.000 0.232 321 D C 0.198 176.622 176.300 0.206 0.000 1.137 321 D CA 0.588 54.688 54.000 0.167 0.000 0.718 321 D CB -1.146 39.758 40.800 0.173 0.000 1.084 321 D HN 0.481 nan 8.370 nan 0.000 0.432 322 I N -3.415 117.247 120.570 0.155 0.000 3.060 322 I HA 0.174 4.335 4.170 -0.015 0.000 0.285 322 I C 0.891 177.054 176.117 0.077 0.000 1.190 322 I CA 0.057 61.398 61.300 0.068 0.000 1.363 322 I CB 0.582 38.516 38.000 -0.110 0.000 1.396 322 I HN -0.179 nan 8.210 nan 0.000 0.607 323 D N 2.507 122.972 120.400 0.108 0.000 2.433 323 D HA 0.300 4.931 4.640 -0.015 0.000 0.211 323 D C 0.473 176.993 176.300 0.367 0.000 1.114 323 D CA 0.240 54.348 54.000 0.179 0.000 0.837 323 D CB 1.226 42.062 40.800 0.060 0.000 0.984 323 D HN 0.859 nan 8.370 nan 0.000 0.505 324 G N 0.232 109.152 108.800 0.199 0.000 2.579 324 G HA2 0.372 4.323 3.960 -0.015 0.000 0.292 324 G HA3 0.372 4.323 3.960 -0.015 0.000 0.292 324 G C -2.249 172.638 174.900 -0.022 0.000 1.484 324 G CA -0.936 44.302 45.100 0.229 0.000 0.813 324 G HN 0.012 nan 8.290 nan 0.000 0.515 325 W N 1.366 122.695 121.300 0.048 0.000 2.619 325 W HA 0.610 5.261 4.660 -0.015 0.000 0.327 325 W C 0.294 176.632 176.519 -0.301 0.000 1.027 325 W CA -0.999 56.326 57.345 -0.034 0.000 1.233 325 W CB 2.047 31.602 29.460 0.157 0.000 1.370 325 W HN 0.375 nan 8.180 nan 0.000 0.453 326 R N 4.933 125.386 120.500 -0.078 0.000 2.229 326 R HA 0.392 4.723 4.340 -0.015 0.000 0.328 326 R C -1.105 175.004 176.300 -0.318 0.000 1.009 326 R CA -0.405 55.426 56.100 -0.449 0.000 0.864 326 R CB 0.538 30.401 30.300 -0.727 0.000 1.085 326 R HN 0.705 nan 8.270 nan 0.000 0.453 327 L N 4.334 125.246 121.223 -0.518 0.000 2.268 327 L HA 0.216 4.547 4.340 -0.015 0.000 0.289 327 L C 0.326 177.023 176.870 -0.288 0.000 1.064 327 L CA -0.718 53.828 54.840 -0.490 0.000 0.824 327 L CB 0.818 42.334 42.059 -0.904 0.000 1.202 327 L HN 0.516 nan 8.230 nan 0.000 0.433 328 D N 2.451 122.792 120.400 -0.097 0.000 2.458 328 D HA 0.111 4.743 4.640 -0.015 0.000 0.243 328 D C 0.769 177.095 176.300 0.043 0.000 1.146 328 D CA 0.089 54.108 54.000 0.031 0.000 0.877 328 D CB 0.921 41.819 40.800 0.162 0.000 1.176 328 D HN 0.327 nan 8.370 nan 0.000 0.461 329 V N 2.822 122.773 119.914 0.061 0.000 5.043 329 V HA -0.338 3.773 4.120 -0.015 0.000 0.267 329 V C 1.734 177.902 176.094 0.124 0.000 0.597 329 V CA 0.980 63.353 62.300 0.121 0.000 0.703 329 V CB -2.515 29.454 31.823 0.243 0.000 0.558 329 V HN 0.743 nan 8.190 nan 0.000 1.038 330 A N 1.367 124.198 122.820 0.019 0.000 1.948 330 A HA -0.262 4.049 4.320 -0.015 0.000 0.220 330 A C 1.914 179.627 177.584 0.216 0.000 1.177 330 A CA 2.216 54.315 52.037 0.103 0.000 0.636 330 A CB -0.655 18.074 19.000 -0.451 0.000 0.815 330 A HN 1.103 nan 8.150 nan 0.000 0.449 331 N N -0.859 117.783 118.700 -0.097 0.000 2.520 331 N HA -0.122 4.609 4.740 -0.015 0.000 0.185 331 N C 1.107 176.753 175.510 0.227 0.000 1.068 331 N CA 1.042 53.993 53.050 -0.165 0.000 0.911 331 N CB -0.201 38.096 38.487 -0.316 0.000 0.961 331 N HN 0.633 nan 8.380 nan 0.000 0.446 332 E N 0.014 120.341 120.200 0.212 0.000 2.474 332 E HA 0.226 4.567 4.350 -0.015 0.000 0.195 332 E C -0.169 176.525 176.600 0.157 0.000 1.039 332 E CA -0.108 56.399 56.400 0.179 0.000 0.881 332 E CB 0.486 30.266 29.700 0.133 0.000 0.970 332 E HN 0.443 nan 8.360 nan 0.000 0.486 333 I N 2.737 123.444 120.570 0.228 0.000 2.392 333 I HA 0.047 4.209 4.170 -0.015 0.000 0.295 333 I C 0.427 176.573 176.117 0.048 0.000 0.985 333 I CA -0.985 60.328 61.300 0.021 0.000 1.221 333 I CB 1.095 38.968 38.000 -0.210 0.000 1.366 333 I HN 0.026 nan 8.210 nan 0.000 0.467 334 D N 5.178 125.548 120.400 -0.049 0.000 2.419 334 D HA -0.098 4.534 4.640 -0.015 0.000 0.236 334 D C 0.639 176.993 176.300 0.090 0.000 1.165 334 D CA 0.009 54.018 54.000 0.015 0.000 0.882 334 D CB 0.909 41.737 40.800 0.047 0.000 1.201 334 D HN 0.534 nan 8.370 nan 0.000 0.443 335 H N 0.637 119.853 119.070 0.243 0.000 2.389 335 H HA -0.114 4.433 4.556 -0.014 0.000 0.299 335 H C 1.829 177.278 175.328 0.202 0.000 1.081 335 H CA 1.463 57.661 56.048 0.250 0.000 1.345 335 H CB 0.022 29.826 29.762 0.072 0.000 1.393 335 H HN 0.700 nan 8.280 nan 0.000 0.520 336 E N 0.355 120.708 120.200 0.255 0.000 2.058 336 E HA -0.195 4.146 4.350 -0.015 0.000 0.194 336 E C 2.045 178.743 176.600 0.163 0.000 0.997 336 E CA 0.976 57.480 56.400 0.174 0.000 0.801 336 E CB -0.212 29.564 29.700 0.126 0.000 0.746 336 E HN 0.305 nan 8.360 nan 0.000 0.450 337 F N -0.376 119.571 119.950 -0.004 0.000 2.134 337 F HA -0.156 4.362 4.527 -0.015 0.000 0.299 337 F C 1.634 177.487 175.800 0.089 0.000 1.097 337 F CA 1.696 59.649 58.000 -0.078 0.000 1.264 337 F CB -0.422 38.379 39.000 -0.332 0.000 1.001 337 F HN 0.121 nan 8.300 nan 0.000 0.479 338 W N 0.670 122.143 121.300 0.288 0.000 2.374 338 W HA -0.128 4.523 4.660 -0.014 0.000 0.288 338 W C 2.533 179.158 176.519 0.176 0.000 1.218 338 W CA 0.608 58.108 57.345 0.259 0.000 1.245 338 W CB -0.252 29.421 29.460 0.355 0.000 1.126 338 W HN -0.109 nan 8.180 nan 0.000 0.545 339 R N 0.334 121.033 120.500 0.333 0.000 2.075 339 R HA -0.118 4.213 4.340 -0.015 0.000 0.232 339 R C 1.857 178.237 176.300 0.133 0.000 1.126 339 R CA 1.386 57.608 56.100 0.204 0.000 0.963 339 R CB -0.481 29.901 30.300 0.137 0.000 0.858 339 R HN 0.317 nan 8.270 nan 0.000 0.435 340 E N 0.048 120.276 120.200 0.046 0.000 2.106 340 E HA -0.184 4.158 4.350 -0.015 0.000 0.192 340 E C 1.693 178.280 176.600 -0.023 0.000 0.984 340 E CA 0.897 57.281 56.400 -0.027 0.000 0.806 340 E CB -0.130 29.505 29.700 -0.109 0.000 0.750 340 E HN 0.203 nan 8.360 nan 0.000 0.458 341 F N 2.018 121.840 119.950 -0.213 0.000 2.095 341 F HA -0.235 4.283 4.527 -0.015 0.000 0.298 341 F C 2.504 178.357 175.800 0.088 0.000 1.104 341 F CA 1.786 59.733 58.000 -0.089 0.000 1.232 341 F CB -0.032 39.021 39.000 0.089 0.000 0.987 341 F HN -0.201 nan 8.300 nan 0.000 0.475 342 R N 0.141 120.831 120.500 0.317 0.000 2.073 342 R HA -0.195 4.136 4.340 -0.015 0.000 0.234 342 R C 2.290 178.621 176.300 0.051 0.000 1.134 342 R CA 2.021 58.234 56.100 0.188 0.000 0.952 342 R CB -0.403 30.036 30.300 0.232 0.000 0.850 342 R HN 0.454 nan 8.270 nan 0.000 0.433 343 Q N 0.036 119.865 119.800 0.049 0.000 2.061 343 Q HA -0.211 4.120 4.340 -0.015 0.000 0.204 343 Q C 2.022 178.019 176.000 -0.005 0.000 0.984 343 Q CA 2.020 57.837 55.803 0.022 0.000 0.846 343 Q CB -0.075 28.677 28.738 0.023 0.000 0.902 343 Q HN 0.514 nan 8.270 nan 0.000 0.421 344 E N -0.111 120.067 120.200 -0.038 0.000 2.107 344 E HA -0.120 4.222 4.350 -0.015 0.000 0.191 344 E C 2.165 178.734 176.600 -0.052 0.000 0.982 344 E CA 0.969 57.344 56.400 -0.042 0.000 0.809 344 E CB 0.129 29.798 29.700 -0.052 0.000 0.756 344 E HN 0.127 nan 8.360 nan 0.000 0.459 345 V N 1.871 121.705 119.914 -0.134 0.000 2.270 345 V HA -0.226 3.885 4.120 -0.015 0.000 0.245 345 V C 2.177 178.278 176.094 0.011 0.000 1.043 345 V CA 1.532 63.776 62.300 -0.092 0.000 1.014 345 V CB -0.316 31.362 31.823 -0.242 0.000 0.645 345 V HN 0.137 nan 8.190 nan 0.000 0.447 346 K N 0.337 120.746 120.400 0.015 0.000 2.211 346 K HA -0.021 4.290 4.320 -0.015 0.000 0.203 346 K C 2.188 178.812 176.600 0.039 0.000 1.050 346 K CA 1.406 57.719 56.287 0.044 0.000 0.945 346 K CB -0.681 31.844 32.500 0.041 0.000 0.732 346 K HN 0.486 nan 8.250 nan 0.000 0.451 347 A N 1.167 124.004 122.820 0.027 0.000 1.930 347 A HA -0.116 4.195 4.320 -0.015 0.000 0.217 347 A C 2.165 179.769 177.584 0.034 0.000 1.175 347 A CA 0.991 53.045 52.037 0.028 0.000 0.627 347 A CB -0.364 18.649 19.000 0.021 0.000 0.815 347 A HN 0.210 nan 8.150 nan 0.000 0.443 348 L N -1.055 120.192 121.223 0.039 0.000 2.023 348 L HA 0.178 4.509 4.340 -0.015 0.000 0.205 348 L C 0.933 177.835 176.870 0.054 0.000 1.073 348 L CA 1.980 56.849 54.840 0.049 0.000 0.745 348 L CB -0.086 42.012 42.059 0.064 0.000 0.900 348 L HN 0.306 nan 8.230 nan 0.000 0.435 349 K N -1.243 119.198 120.400 0.068 0.000 2.740 349 K HA 0.280 4.591 4.320 -0.015 0.000 0.246 349 K C -2.223 174.437 176.600 0.100 0.000 1.021 349 K CA -1.438 54.895 56.287 0.077 0.000 1.021 349 K CB 1.584 34.136 32.500 0.087 0.000 1.233 349 K HN -0.133 nan 8.250 nan 0.000 0.497 350 P HA -0.158 nan 4.420 nan 0.000 0.218 350 P C 0.158 177.553 177.300 0.159 0.000 1.146 350 P CA 1.033 64.192 63.100 0.099 0.000 0.813 350 P CB 0.296 32.040 31.700 0.073 0.000 0.778 351 D N -1.425 119.095 120.400 0.200 0.000 2.348 351 D HA -0.030 4.601 4.640 -0.015 0.000 0.216 351 D C 0.243 176.858 176.300 0.524 0.000 0.970 351 D CA 0.357 54.582 54.000 0.375 0.000 0.889 351 D CB -0.369 40.577 40.800 0.243 0.000 0.912 351 D HN -0.015 nan 8.370 nan 0.000 0.524 352 V N 2.003 122.124 119.914 0.346 0.000 2.493 352 V HA -0.150 3.961 4.120 -0.015 0.000 0.292 352 V C 0.114 176.459 176.094 0.419 0.000 1.016 352 V CA -0.285 62.243 62.300 0.379 0.000 1.097 352 V CB -0.160 31.820 31.823 0.262 0.000 0.947 352 V HN 0.092 nan 8.190 nan 0.000 0.479 353 Y N 6.476 126.975 120.300 0.332 0.000 2.393 353 Y HA 0.417 4.958 4.550 -0.015 0.000 0.338 353 Y C 0.245 176.196 175.900 0.085 0.000 1.029 353 Y CA -1.228 56.955 58.100 0.139 0.000 1.239 353 Y CB 0.563 39.104 38.460 0.136 0.000 1.170 353 Y HN 0.520 nan 8.280 nan 0.000 0.515 354 I N 8.769 129.272 120.570 -0.113 0.000 2.307 354 I HA 0.155 4.316 4.170 -0.015 0.000 0.287 354 I C -1.054 174.681 176.117 -0.637 0.000 1.054 354 I CA -0.748 60.437 61.300 -0.192 0.000 1.218 354 I CB 0.754 38.810 38.000 0.094 0.000 1.398 354 I HN 0.424 nan 8.210 nan 0.000 0.475 355 L N 6.883 127.579 121.223 -0.878 0.000 2.280 355 L HA 0.712 5.043 4.340 -0.015 0.000 0.287 355 L C 0.211 176.460 176.870 -1.035 0.000 1.023 355 L CA 0.038 54.241 54.840 -1.061 0.000 0.819 355 L CB 1.362 42.626 42.059 -1.325 0.000 1.212 355 L HN 0.488 nan 8.230 nan 0.000 0.420 356 G N 3.323 111.471 108.800 -1.086 0.000 2.348 356 G HA2 0.311 4.262 3.960 -0.015 0.000 0.312 356 G HA3 0.311 4.262 3.960 -0.015 0.000 0.312 356 G C -0.854 173.661 174.900 -0.640 0.000 1.126 356 G CA -0.510 43.883 45.100 -1.178 0.000 0.865 356 G HN 0.710 nan 8.290 nan 0.000 0.474 357 E N 2.283 122.200 120.200 -0.473 0.000 1.996 357 E HA 0.331 4.673 4.350 -0.015 0.000 0.280 357 E C -0.600 175.929 176.600 -0.118 0.000 1.092 357 E CA -0.195 56.084 56.400 -0.202 0.000 0.862 357 E CB 0.209 29.890 29.700 -0.032 0.000 1.066 357 E HN 0.313 nan 8.360 nan 0.000 0.396 358 I N 4.772 125.278 120.570 -0.108 0.000 2.534 358 I HA 0.124 4.285 4.170 -0.015 0.000 0.286 358 I C -0.419 175.706 176.117 0.013 0.000 1.094 358 I CA -0.825 60.365 61.300 -0.183 0.000 1.055 358 I CB 1.143 38.855 38.000 -0.481 0.000 1.225 358 I HN 0.683 nan 8.210 nan 0.000 0.435 359 W N 3.285 124.464 121.300 -0.201 0.000 2.905 359 W HA 0.035 4.686 4.660 -0.015 0.000 0.251 359 W C 1.211 177.766 176.519 0.060 0.000 1.305 359 W CA 0.128 57.465 57.345 -0.013 0.000 1.465 359 W CB -0.444 28.924 29.460 -0.153 0.000 1.122 359 W HN 0.589 nan 8.180 nan 0.000 0.659 360 H N -2.917 116.338 119.070 0.309 0.000 2.915 360 H HA 0.367 4.914 4.556 -0.015 0.000 0.298 360 H C -0.280 175.214 175.328 0.278 0.000 1.516 360 H CA -1.282 54.919 56.048 0.256 0.000 1.480 360 H CB -0.240 29.646 29.762 0.207 0.000 1.847 360 H HN -0.337 nan 8.280 nan 0.000 0.806 361 D N -0.640 120.065 120.400 0.509 0.000 2.531 361 D HA 0.092 4.723 4.640 -0.015 0.000 0.239 361 D C 0.026 176.699 176.300 0.620 0.000 1.144 361 D CA 0.704 54.972 54.000 0.447 0.000 0.869 361 D CB 0.360 41.353 40.800 0.323 0.000 1.160 361 D HN 0.750 nan 8.370 nan 0.000 0.484 362 A N 5.315 128.513 122.820 0.629 0.000 2.606 362 A HA 0.092 4.403 4.320 -0.015 0.000 0.290 362 A C 1.804 179.802 177.584 0.689 0.000 1.174 362 A CA -0.417 52.038 52.037 0.696 0.000 0.958 362 A CB -0.112 19.105 19.000 0.362 0.000 1.194 362 A HN 0.610 nan 8.150 nan 0.000 0.526 363 M N 0.398 120.364 119.600 0.610 0.000 2.108 363 M HA -0.126 4.345 4.480 -0.015 0.000 0.257 363 M C -0.824 175.595 176.300 0.197 0.000 1.071 363 M CA 1.911 57.454 55.300 0.406 0.000 1.093 363 M CB -1.690 31.105 32.600 0.325 0.000 1.345 363 M HN 0.168 nan 8.290 nan 0.000 0.403 364 P HA -0.170 nan 4.420 nan 0.000 0.221 364 P C 1.032 178.089 177.300 -0.406 0.000 1.145 364 P CA 1.189 64.101 63.100 -0.314 0.000 0.795 364 P CB -0.236 31.074 31.700 -0.650 0.000 0.775 365 W N -1.767 119.542 121.300 0.015 0.000 3.220 365 W HA 0.326 4.977 4.660 -0.015 0.000 0.328 365 W C 0.448 176.850 176.519 -0.195 0.000 1.205 365 W CA 0.108 57.313 57.345 -0.233 0.000 1.773 365 W CB 0.158 29.365 29.460 -0.421 0.000 1.086 365 W HN -0.052 nan 8.180 nan 0.000 0.622 366 L N 0.380 121.688 121.223 0.143 0.000 3.154 366 L HA 0.283 4.614 4.340 -0.015 0.000 0.266 366 L C 1.542 178.503 176.870 0.151 0.000 1.300 366 L CA -0.033 54.898 54.840 0.151 0.000 1.028 366 L CB 0.043 42.091 42.059 -0.019 0.000 1.412 366 L HN -0.216 nan 8.230 nan 0.000 0.564 367 R N 0.105 120.690 120.500 0.143 0.000 2.317 367 R HA 0.216 4.547 4.340 -0.015 0.000 0.208 367 R C 1.429 177.889 176.300 0.267 0.000 0.914 367 R CA 0.667 56.860 56.100 0.154 0.000 1.060 367 R CB 0.468 30.805 30.300 0.062 0.000 1.015 367 R HN 0.492 nan 8.270 nan 0.000 0.498 368 G N 1.359 110.363 108.800 0.340 0.000 2.253 368 G HA2 -0.233 3.718 3.960 -0.015 0.000 0.209 368 G HA3 -0.233 3.718 3.960 -0.015 0.000 0.209 368 G C 0.535 175.468 174.900 0.054 0.000 0.997 368 G CA 0.265 45.483 45.100 0.196 0.000 0.640 368 G HN 0.490 nan 8.290 nan 0.000 0.496 369 D N -0.006 120.435 120.400 0.068 0.000 2.360 369 D HA 0.179 4.810 4.640 -0.015 0.000 0.210 369 D C 1.468 177.814 176.300 0.076 0.000 1.047 369 D CA 0.868 54.901 54.000 0.055 0.000 0.854 369 D CB 0.215 41.041 40.800 0.043 0.000 0.936 369 D HN 0.577 nan 8.370 nan 0.000 0.514 370 Q N -0.900 118.931 119.800 0.052 0.000 1.981 370 Q HA 0.244 4.575 4.340 -0.015 0.000 0.157 370 Q C -0.368 175.729 176.000 0.162 0.000 0.503 370 Q CA -0.476 55.356 55.803 0.048 0.000 0.695 370 Q CB 0.604 29.225 28.738 -0.194 0.000 1.038 370 Q HN 0.003 nan 8.270 nan 0.000 0.388 371 F N 1.581 121.561 119.950 0.051 0.000 2.380 371 F HA 0.228 4.746 4.527 -0.015 0.000 0.321 371 F C 0.964 176.748 175.800 -0.026 0.000 1.103 371 F CA -1.083 56.879 58.000 -0.064 0.000 1.067 371 F CB 0.265 39.161 39.000 -0.175 0.000 1.265 371 F HN 0.170 nan 8.300 nan 0.000 0.517 372 D N 0.084 120.548 120.400 0.107 0.000 2.327 372 D HA 0.371 5.003 4.640 -0.015 0.000 0.205 372 D C 0.449 176.872 176.300 0.206 0.000 0.989 372 D CA 0.795 54.835 54.000 0.067 0.000 0.873 372 D CB 0.645 41.478 40.800 0.055 0.000 0.955 372 D HN 0.472 nan 8.370 nan 0.000 0.515 373 A N -0.348 122.479 122.820 0.012 0.000 2.456 373 A HA 0.532 4.843 4.320 -0.015 0.000 0.294 373 A C -1.475 175.993 177.584 -0.193 0.000 1.057 373 A CA -0.513 51.498 52.037 -0.043 0.000 0.623 373 A CB 0.800 19.809 19.000 0.015 0.000 1.338 373 A HN 0.038 nan 8.150 nan 0.000 0.464 374 V N -2.352 117.456 119.914 -0.175 0.000 3.040 374 V HA 0.774 4.885 4.120 -0.015 0.000 0.312 374 V C -0.060 175.903 176.094 -0.219 0.000 1.115 374 V CA -1.051 61.106 62.300 -0.239 0.000 0.998 374 V CB 1.783 33.534 31.823 -0.120 0.000 1.042 374 V HN 0.945 nan 8.190 nan 0.000 0.433 375 M N 3.248 122.672 119.600 -0.292 0.000 2.307 375 M HA 0.207 4.678 4.480 -0.015 0.000 0.346 375 M C 0.424 176.584 176.300 -0.232 0.000 1.552 375 M CA 0.213 55.357 55.300 -0.261 0.000 1.116 375 M CB -0.245 32.129 32.600 -0.376 0.000 1.889 375 M HN 0.778 nan 8.290 nan 0.000 0.460 376 N N 2.885 121.485 118.700 -0.167 0.000 3.103 376 N HA 0.005 4.736 4.740 -0.015 0.000 0.305 376 N C 0.158 175.623 175.510 -0.075 0.000 1.232 376 N CA 0.330 53.341 53.050 -0.065 0.000 1.190 376 N CB -0.206 38.257 38.487 -0.039 0.000 1.461 376 N HN 0.493 nan 8.380 nan 0.000 0.538 377 Y N 0.443 120.688 120.300 -0.093 0.000 2.421 377 Y HA -0.018 4.524 4.550 -0.015 0.000 0.292 377 Y C -0.623 175.312 175.900 0.059 0.000 1.136 377 Y CA 0.611 58.630 58.100 -0.134 0.000 1.255 377 Y CB -0.409 37.801 38.460 -0.416 0.000 0.991 377 Y HN 0.427 nan 8.280 nan 0.000 0.552 378 P HA -0.177 nan 4.420 nan 0.000 0.219 378 P C 1.371 178.802 177.300 0.218 0.000 1.150 378 P CA 1.270 64.515 63.100 0.241 0.000 0.814 378 P CB -0.169 31.679 31.700 0.246 0.000 0.787 379 F N 0.265 120.256 119.950 0.068 0.000 2.146 379 F HA -0.156 4.362 4.527 -0.015 0.000 0.298 379 F C 1.884 177.697 175.800 0.023 0.000 1.096 379 F CA 1.645 59.659 58.000 0.023 0.000 1.275 379 F CB -1.124 37.854 39.000 -0.037 0.000 1.008 379 F HN -0.181 nan 8.300 nan 0.000 0.480 380 T N 0.009 114.680 114.554 0.195 0.000 2.684 380 T HA -0.286 4.055 4.350 -0.015 0.000 0.267 380 T C 1.463 176.161 174.700 -0.002 0.000 1.036 380 T CA 1.945 64.081 62.100 0.060 0.000 1.148 380 T CB -0.670 68.247 68.868 0.083 0.000 0.863 380 T HN 0.474 nan 8.240 nan 0.000 0.436 381 D N 0.628 121.071 120.400 0.071 0.000 2.106 381 D HA -0.092 4.539 4.640 -0.015 0.000 0.191 381 D C 2.346 178.651 176.300 0.009 0.000 0.997 381 D CA 1.606 55.643 54.000 0.062 0.000 0.834 381 D CB -0.674 40.191 40.800 0.109 0.000 0.956 381 D HN 0.370 nan 8.370 nan 0.000 0.448 382 G N -0.313 108.486 108.800 -0.001 0.000 2.402 382 G HA2 -0.194 3.757 3.960 -0.015 0.000 0.216 382 G HA3 -0.194 3.757 3.960 -0.015 0.000 0.216 382 G C 1.810 176.724 174.900 0.023 0.000 1.162 382 G CA 0.973 46.090 45.100 0.029 0.000 0.777 382 G HN 0.314 nan 8.290 nan 0.000 0.539 383 V N 0.925 120.763 119.914 -0.127 0.000 2.427 383 V HA -0.088 4.023 4.120 -0.015 0.000 0.248 383 V C 2.870 178.886 176.094 -0.131 0.000 1.051 383 V CA 1.262 63.433 62.300 -0.215 0.000 1.048 383 V CB -0.358 31.231 31.823 -0.391 0.000 0.666 383 V HN 0.328 nan 8.190 nan 0.000 0.456 384 L N -0.678 120.483 121.223 -0.102 0.000 2.109 384 L HA -0.104 4.228 4.340 -0.015 0.000 0.207 384 L C 2.768 179.584 176.870 -0.091 0.000 1.086 384 L CA 1.397 56.193 54.840 -0.074 0.000 0.760 384 L CB -0.554 41.475 42.059 -0.051 0.000 0.910 384 L HN 0.218 nan 8.230 nan 0.000 0.437 385 R N -0.899 119.553 120.500 -0.081 0.000 2.120 385 R HA -0.173 4.158 4.340 -0.015 0.000 0.234 385 R C 2.188 178.416 176.300 -0.119 0.000 1.123 385 R CA 1.511 57.568 56.100 -0.073 0.000 0.975 385 R CB -0.287 29.995 30.300 -0.030 0.000 0.866 385 R HN 0.224 nan 8.270 nan 0.000 0.446 386 F N 0.037 119.725 119.950 -0.437 0.000 2.147 386 F HA 0.008 4.526 4.527 -0.014 0.000 0.291 386 F C 1.551 176.982 175.800 -0.615 0.000 1.093 386 F CA 1.075 58.661 58.000 -0.689 0.000 1.263 386 F CB -0.210 37.934 39.000 -1.427 0.000 1.036 386 F HN -0.208 nan 8.300 nan 0.000 0.481 387 F N 0.103 119.720 119.950 -0.555 0.000 2.270 387 F HA 0.190 4.708 4.527 -0.015 0.000 0.295 387 F C 2.421 178.030 175.800 -0.319 0.000 1.087 387 F CA 1.027 58.726 58.000 -0.502 0.000 1.365 387 F CB -1.260 37.528 39.000 -0.353 0.000 1.056 387 F HN 0.060 nan 8.300 nan 0.000 0.506 388 A N -0.019 122.759 122.820 -0.070 0.000 1.887 388 A HA 0.003 4.315 4.320 -0.015 0.000 0.212 388 A C 2.004 179.528 177.584 -0.099 0.000 1.198 388 A CA 0.885 52.870 52.037 -0.085 0.000 0.628 388 A CB -0.282 18.672 19.000 -0.077 0.000 0.847 388 A HN 0.250 nan 8.150 nan 0.000 0.449 389 K N -0.591 119.746 120.400 -0.105 0.000 2.352 389 K HA 0.130 4.442 4.320 -0.015 0.000 0.194 389 K C -0.480 176.056 176.600 -0.107 0.000 1.038 389 K CA 0.378 56.611 56.287 -0.090 0.000 1.023 389 K CB 0.286 32.743 32.500 -0.070 0.000 0.840 389 K HN 0.471 nan 8.250 nan 0.000 0.519 390 E N 0.699 120.798 120.200 -0.168 0.000 2.297 390 E HA -0.263 4.078 4.350 -0.015 0.000 0.228 390 E C -0.068 176.463 176.600 -0.115 0.000 1.213 390 E CA 0.371 56.650 56.400 -0.202 0.000 0.712 390 E CB -1.137 28.464 29.700 -0.165 0.000 1.202 390 E HN 0.430 nan 8.360 nan 0.000 0.376 391 E N -0.331 119.817 120.200 -0.086 0.000 2.318 391 E HA 0.042 4.384 4.350 -0.015 0.000 0.193 391 E C 1.232 177.815 176.600 -0.029 0.000 0.998 391 E CA 0.790 57.160 56.400 -0.051 0.000 0.859 391 E CB 0.258 29.932 29.700 -0.043 0.000 0.812 391 E HN 0.496 nan 8.360 nan 0.000 0.492 392 I N -1.873 118.696 120.570 -0.001 0.000 2.846 392 I HA 0.426 4.587 4.170 -0.015 0.000 0.307 392 I C 0.199 176.386 176.117 0.117 0.000 1.053 392 I CA -1.218 60.101 61.300 0.031 0.000 1.050 392 I CB 1.916 39.930 38.000 0.022 0.000 1.239 392 I HN -0.216 nan 8.210 nan 0.000 0.439 393 S N 2.853 118.589 115.700 0.060 0.000 2.655 393 S HA 0.538 4.999 4.470 -0.015 0.000 0.265 393 S C 1.175 175.777 174.600 0.003 0.000 1.240 393 S CA -0.104 58.146 58.200 0.084 0.000 0.986 393 S CB 1.497 64.695 63.200 -0.003 0.000 0.985 393 S HN 0.972 nan 8.310 nan 0.000 0.562 394 A N 0.672 123.485 122.820 -0.011 0.000 1.972 394 A HA -0.068 4.244 4.320 -0.015 0.000 0.219 394 A C 2.284 179.669 177.584 -0.331 0.000 1.169 394 A CA 1.501 53.313 52.037 -0.374 0.000 0.635 394 A CB -0.847 18.115 19.000 -0.064 0.000 0.810 394 A HN 0.921 nan 8.150 nan 0.000 0.446 395 R N -0.324 120.062 120.500 -0.190 0.000 2.073 395 R HA -0.176 4.155 4.340 -0.015 0.000 0.234 395 R C 2.265 178.427 176.300 -0.230 0.000 1.134 395 R CA 1.896 57.882 56.100 -0.190 0.000 0.952 395 R CB -0.324 29.925 30.300 -0.085 0.000 0.850 395 R HN 0.680 nan 8.270 nan 0.000 0.433 396 Q N -0.710 118.982 119.800 -0.180 0.000 2.167 396 Q HA -0.168 4.163 4.340 -0.015 0.000 0.202 396 Q C 1.858 177.720 176.000 -0.230 0.000 0.970 396 Q CA 1.380 57.083 55.803 -0.167 0.000 0.855 396 Q CB -0.152 28.528 28.738 -0.098 0.000 0.911 396 Q HN 0.316 nan 8.270 nan 0.000 0.438 397 F N 1.259 120.902 119.950 -0.510 0.000 2.146 397 F HA -0.076 4.442 4.527 -0.014 0.000 0.298 397 F C 2.114 177.483 175.800 -0.718 0.000 1.096 397 F CA 1.160 58.761 58.000 -0.666 0.000 1.275 397 F CB -0.497 37.794 39.000 -1.183 0.000 1.008 397 F HN -0.019 nan 8.300 nan 0.000 0.480 398 A N 0.677 122.889 122.820 -1.014 0.000 1.902 398 A HA -0.220 4.091 4.320 -0.015 0.000 0.217 398 A C 2.105 179.178 177.584 -0.853 0.000 1.181 398 A CA 1.911 53.060 52.037 -1.481 0.000 0.623 398 A CB -0.982 17.317 19.000 -1.168 0.000 0.818 398 A HN 0.503 nan 8.150 nan 0.000 0.443 399 N N -0.398 118.010 118.700 -0.488 0.000 2.120 399 N HA -0.201 4.531 4.740 -0.015 0.000 0.188 399 N C 1.894 177.292 175.510 -0.187 0.000 1.024 399 N CA 1.692 54.593 53.050 -0.247 0.000 0.852 399 N CB -0.501 37.885 38.487 -0.168 0.000 1.003 399 N HN 0.787 nan 8.380 nan 0.000 0.424 400 Q N -0.329 119.314 119.800 -0.262 0.000 2.119 400 Q HA -0.017 4.314 4.340 -0.015 0.000 0.201 400 Q C 1.736 177.655 176.000 -0.134 0.000 0.972 400 Q CA 0.957 56.667 55.803 -0.155 0.000 0.847 400 Q CB 0.102 28.744 28.738 -0.160 0.000 0.903 400 Q HN 0.182 nan 8.270 nan 0.000 0.433 401 M N -0.357 119.021 119.600 -0.370 0.000 2.132 401 M HA -0.122 4.350 4.480 -0.015 0.000 0.263 401 M C 2.079 178.404 176.300 0.042 0.000 1.065 401 M CA 1.205 56.395 55.300 -0.183 0.000 1.122 401 M CB -0.624 31.766 32.600 -0.350 0.000 1.365 401 M HN 0.364 nan 8.290 nan 0.000 0.411 402 M N -1.429 118.164 119.600 -0.010 0.000 2.175 402 M HA -0.174 4.297 4.480 -0.015 0.000 0.264 402 M C 2.152 178.557 176.300 0.174 0.000 1.063 402 M CA 1.608 57.006 55.300 0.163 0.000 1.119 402 M CB -1.537 31.130 32.600 0.112 0.000 1.377 402 M HN 0.325 nan 8.290 nan 0.000 0.415 403 H N 0.969 120.051 119.070 0.021 0.000 2.293 403 H HA -0.112 4.436 4.556 -0.015 0.000 0.300 403 H C 1.940 177.262 175.328 -0.010 0.000 1.082 403 H CA 2.723 58.789 56.048 0.030 0.000 1.308 403 H CB -0.116 29.663 29.762 0.029 0.000 1.375 403 H HN 0.161 nan 8.280 nan 0.000 0.495 404 V N -0.996 118.939 119.914 0.035 0.000 2.427 404 V HA -0.147 3.965 4.120 -0.015 0.000 0.248 404 V C 2.452 178.496 176.094 -0.083 0.000 1.051 404 V CA 1.781 64.058 62.300 -0.039 0.000 1.048 404 V CB -0.954 30.942 31.823 0.122 0.000 0.666 404 V HN 0.377 nan 8.190 nan 0.000 0.456 405 L N -0.138 121.086 121.223 0.003 0.000 2.056 405 L HA -0.098 4.233 4.340 -0.015 0.000 0.207 405 L C 2.691 179.404 176.870 -0.261 0.000 1.078 405 L CA 2.032 56.839 54.840 -0.054 0.000 0.749 405 L CB -0.723 41.301 42.059 -0.058 0.000 0.901 405 L HN 0.368 nan 8.230 nan 0.000 0.433 406 H N -1.352 117.509 119.070 -0.347 0.000 2.559 406 H HA -0.058 4.489 4.556 -0.015 0.000 0.273 406 H C 2.296 177.284 175.328 -0.568 0.000 1.000 406 H CA 0.902 56.604 56.048 -0.577 0.000 1.195 406 H CB 0.106 29.149 29.762 -1.199 0.000 1.368 406 H HN 0.317 nan 8.280 nan 0.000 0.592 407 S N -0.491 114.954 115.700 -0.426 0.000 2.561 407 S HA -0.023 4.438 4.470 -0.015 0.000 0.225 407 S C -0.039 174.294 174.600 -0.445 0.000 0.977 407 S CA 0.077 57.989 58.200 -0.480 0.000 0.926 407 S CB -0.001 62.821 63.200 -0.629 0.000 0.769 407 S HN 0.166 nan 8.310 nan 0.000 0.533 408 Y N 0.519 120.709 120.300 -0.184 0.000 2.605 408 Y HA 0.661 5.202 4.550 -0.015 0.000 0.343 408 Y C -2.816 172.911 175.900 -0.289 0.000 1.036 408 Y CA -3.053 54.926 58.100 -0.203 0.000 1.065 408 Y CB 0.585 38.938 38.460 -0.178 0.000 1.288 408 Y HN -0.093 nan 8.280 nan 0.000 0.481 409 P HA 0.165 nan 4.420 nan 0.000 0.274 409 P C 0.030 177.087 177.300 -0.404 0.000 1.231 409 P CA 0.000 62.637 63.100 -0.772 0.000 0.790 409 P CB 0.872 31.704 31.700 -1.445 0.000 0.951 410 N N 2.078 120.715 118.700 -0.105 0.000 2.061 410 N HA -0.188 4.544 4.740 -0.015 0.000 0.193 410 N C 1.243 176.779 175.510 0.044 0.000 1.030 410 N CA 1.697 54.779 53.050 0.052 0.000 0.856 410 N CB -0.932 37.704 38.487 0.248 0.000 1.023 410 N HN 0.527 nan 8.380 nan 0.000 0.424 411 N N 0.364 119.114 118.700 0.083 0.000 2.289 411 N HA -0.080 4.651 4.740 -0.015 0.000 0.184 411 N C 1.485 176.859 175.510 -0.227 0.000 1.016 411 N CA 0.673 53.728 53.050 0.008 0.000 0.872 411 N CB -0.771 37.703 38.487 -0.021 0.000 0.973 411 N HN 0.089 nan 8.380 nan 0.000 0.433 412 V N 1.279 120.858 119.914 -0.559 0.000 2.323 412 V HA -0.160 3.951 4.120 -0.015 0.000 0.244 412 V C 1.893 177.816 176.094 -0.285 0.000 1.041 412 V CA 1.516 63.404 62.300 -0.687 0.000 1.025 412 V CB -0.623 30.728 31.823 -0.787 0.000 0.656 412 V HN 0.311 nan 8.190 nan 0.000 0.451 413 N N 0.326 118.911 118.700 -0.192 0.000 2.223 413 N HA -0.170 4.561 4.740 -0.015 0.000 0.185 413 N C 1.729 177.201 175.510 -0.064 0.000 1.016 413 N CA 1.219 54.215 53.050 -0.089 0.000 0.863 413 N CB -0.241 38.200 38.487 -0.077 0.000 0.983 413 N HN 0.622 nan 8.380 nan 0.000 0.429 414 E N 0.249 120.423 120.200 -0.045 0.000 2.268 414 E HA -0.028 4.314 4.350 -0.015 0.000 0.195 414 E C 1.020 177.622 176.600 0.003 0.000 0.995 414 E CA 0.825 57.215 56.400 -0.015 0.000 0.836 414 E CB 0.070 29.790 29.700 0.034 0.000 0.763 414 E HN 0.327 nan 8.360 nan 0.000 0.491 415 A N 0.789 123.633 122.820 0.041 0.000 2.470 415 A HA 0.480 4.791 4.320 -0.015 0.000 0.251 415 A C 0.821 178.488 177.584 0.139 0.000 1.245 415 A CA -0.084 52.008 52.037 0.092 0.000 0.932 415 A CB 0.338 19.455 19.000 0.195 0.000 1.037 415 A HN 0.164 nan 8.150 nan 0.000 0.522 416 A N -0.306 122.552 122.820 0.063 0.000 2.540 416 A HA 0.404 4.715 4.320 -0.015 0.000 0.239 416 A C -0.273 177.375 177.584 0.106 0.000 1.061 416 A CA 0.079 52.151 52.037 0.058 0.000 0.758 416 A CB -0.407 18.597 19.000 0.007 0.000 0.991 416 A HN 0.573 nan 8.150 nan 0.000 0.502 417 F N 3.688 123.591 119.950 -0.078 0.000 2.451 417 F HA 0.206 4.724 4.527 -0.015 0.000 0.356 417 F C 0.027 175.690 175.800 -0.228 0.000 1.178 417 F CA -0.796 57.132 58.000 -0.120 0.000 1.210 417 F CB 0.157 39.034 39.000 -0.204 0.000 1.504 417 F HN 0.527 nan 8.300 nan 0.000 0.598 418 N N 8.050 126.521 118.700 -0.382 0.000 2.415 418 N HA 0.225 4.956 4.740 -0.015 0.000 0.246 418 N C -0.417 174.802 175.510 -0.485 0.000 1.078 418 N CA -0.112 52.564 53.050 -0.622 0.000 0.942 418 N CB 1.160 39.047 38.487 -1.000 0.000 1.140 418 N HN 0.621 nan 8.380 nan 0.000 0.501 419 L N -1.235 119.791 121.223 -0.328 0.000 2.304 419 L HA 0.624 4.956 4.340 -0.015 0.000 0.268 419 L C 0.199 177.054 176.870 -0.025 0.000 1.010 419 L CA -0.928 53.783 54.840 -0.216 0.000 0.813 419 L CB 1.319 43.207 42.059 -0.285 0.000 1.315 419 L HN 0.218 nan 8.230 nan 0.000 0.445 420 L N 0.129 121.320 121.223 -0.054 0.000 2.749 420 L HA 0.571 4.902 4.340 -0.015 0.000 0.242 420 L C 0.732 177.554 176.870 -0.081 0.000 1.103 420 L CA 0.410 55.217 54.840 -0.055 0.000 0.906 420 L CB 0.825 42.790 42.059 -0.156 0.000 1.228 420 L HN 0.952 nan 8.230 nan 0.000 0.517 421 G N -0.698 108.045 108.800 -0.095 0.000 2.506 421 G HA2 0.520 4.471 3.960 -0.015 0.000 0.292 421 G HA3 0.520 4.471 3.960 -0.015 0.000 0.292 421 G C -1.311 173.462 174.900 -0.213 0.000 1.425 421 G CA 0.362 45.392 45.100 -0.117 0.000 0.788 421 G HN -0.002 nan 8.290 nan 0.000 0.490 422 S N -1.901 113.537 115.700 -0.437 0.000 2.755 422 S HA 0.454 4.915 4.470 -0.015 0.000 0.286 422 S C 0.698 174.698 174.600 -1.000 0.000 1.207 422 S CA 0.334 58.138 58.200 -0.660 0.000 0.892 422 S CB 0.765 63.972 63.200 0.012 0.000 1.240 422 S HN 1.560 nan 8.310 nan 0.000 0.525 423 H N 0.244 118.953 119.070 -0.602 0.000 2.559 423 H HA 0.278 4.825 4.556 -0.015 0.000 0.273 423 H C -0.258 174.999 175.328 -0.119 0.000 1.000 423 H CA 0.921 56.825 56.048 -0.240 0.000 1.195 423 H CB -0.564 29.255 29.762 0.094 0.000 1.368 423 H HN 0.543 nan 8.280 nan 0.000 0.592 424 D N 1.270 121.443 120.400 -0.379 0.000 2.402 424 D HA 0.082 4.714 4.640 -0.015 0.000 0.216 424 D C 0.513 176.810 176.300 -0.005 0.000 1.128 424 D CA 0.405 54.279 54.000 -0.209 0.000 0.833 424 D CB 0.941 41.681 40.800 -0.099 0.000 0.971 424 D HN 0.559 nan 8.370 nan 0.000 0.503 425 T N -3.176 111.338 114.554 -0.066 0.000 2.865 425 T HA 0.524 4.865 4.350 -0.015 0.000 0.294 425 T C 0.175 174.837 174.700 -0.063 0.000 1.119 425 T CA -0.628 61.466 62.100 -0.010 0.000 1.007 425 T CB 1.988 70.872 68.868 0.026 0.000 1.225 425 T HN -0.257 nan 8.240 nan 0.000 0.515 426 S N 0.929 116.609 115.700 -0.034 0.000 2.600 426 S HA 0.384 4.845 4.470 -0.015 0.000 0.265 426 S C 0.445 175.020 174.600 -0.041 0.000 1.325 426 S CA -0.876 57.301 58.200 -0.038 0.000 1.002 426 S CB 0.132 63.314 63.200 -0.030 0.000 0.921 426 S HN 0.546 nan 8.310 nan 0.000 0.554 427 R N 1.812 122.296 120.500 -0.027 0.000 2.537 427 R HA 0.081 4.412 4.340 -0.015 0.000 0.280 427 R C 1.645 177.925 176.300 -0.034 0.000 1.058 427 R CA -0.088 56.004 56.100 -0.012 0.000 1.057 427 R CB -0.133 30.158 30.300 -0.015 0.000 0.973 427 R HN 0.743 nan 8.270 nan 0.000 0.438 428 I N 0.335 120.879 120.570 -0.044 0.000 2.264 428 I HA -0.283 3.878 4.170 -0.015 0.000 0.248 428 I C 1.868 177.943 176.117 -0.071 0.000 1.111 428 I CA 1.275 62.528 61.300 -0.079 0.000 1.382 428 I CB -0.320 37.592 38.000 -0.146 0.000 1.060 428 I HN 0.356 nan 8.210 nan 0.000 0.418 429 L N 1.478 122.672 121.223 -0.048 0.000 2.083 429 L HA -0.110 4.221 4.340 -0.015 0.000 0.209 429 L C 2.388 179.227 176.870 -0.051 0.000 1.083 429 L CA 2.187 57.001 54.840 -0.045 0.000 0.752 429 L CB -1.043 41.002 42.059 -0.024 0.000 0.899 429 L HN 0.250 nan 8.230 nan 0.000 0.433 430 T N -1.425 113.101 114.554 -0.046 0.000 2.857 430 T HA -0.082 4.259 4.350 -0.015 0.000 0.266 430 T C 1.938 176.609 174.700 -0.048 0.000 1.048 430 T CA 1.343 63.416 62.100 -0.045 0.000 1.139 430 T CB -0.172 68.672 68.868 -0.039 0.000 0.874 430 T HN 0.182 nan 8.240 nan 0.000 0.455 431 V N 0.935 120.818 119.914 -0.051 0.000 2.490 431 V HA -0.141 3.971 4.120 -0.015 0.000 0.250 431 V C 2.571 178.628 176.094 -0.062 0.000 1.061 431 V CA 1.222 63.491 62.300 -0.052 0.000 1.064 431 V CB -0.638 31.154 31.823 -0.052 0.000 0.670 431 V HN 0.663 nan 8.190 nan 0.000 0.461 432 C N 1.193 120.450 119.300 -0.072 0.000 2.573 432 C HA 0.425 4.876 4.460 -0.015 0.000 0.273 432 C C 2.010 176.950 174.990 -0.084 0.000 1.346 432 C CA 0.061 59.027 59.018 -0.087 0.000 1.702 432 C CB -2.070 25.610 27.740 -0.101 0.000 1.751 432 C HN 0.865 nan 8.230 nan 0.000 0.583 433 G N 0.446 109.206 108.800 -0.066 0.000 2.225 433 G HA2 0.021 3.973 3.960 -0.015 0.000 0.267 433 G HA3 0.021 3.973 3.960 -0.015 0.000 0.267 433 G C 1.195 176.059 174.900 -0.061 0.000 1.024 433 G CA 0.766 45.830 45.100 -0.059 0.000 0.784 433 G HN 1.967 nan 8.290 nan 0.000 0.507 434 G N -1.043 107.720 108.800 -0.062 0.000 2.159 434 G HA2 -0.225 3.726 3.960 -0.015 0.000 0.256 434 G HA3 -0.225 3.726 3.960 -0.015 0.000 0.256 434 G C 0.137 174.993 174.900 -0.072 0.000 0.977 434 G CA 0.900 45.965 45.100 -0.058 0.000 0.652 434 G HN 1.322 nan 8.290 nan 0.000 0.531 435 D N 0.972 121.310 120.400 -0.102 0.000 2.393 435 D HA 0.367 4.998 4.640 -0.015 0.000 0.232 435 D C 1.869 178.081 176.300 -0.146 0.000 1.192 435 D CA -0.829 53.086 54.000 -0.143 0.000 0.882 435 D CB 0.020 40.691 40.800 -0.215 0.000 1.038 435 D HN 0.017 nan 8.370 nan 0.000 0.499 436 I N 3.801 124.307 120.570 -0.108 0.000 2.335 436 I HA -0.247 3.914 4.170 -0.015 0.000 0.251 436 I C 2.105 178.150 176.117 -0.120 0.000 1.129 436 I CA 0.933 62.184 61.300 -0.083 0.000 1.402 436 I CB -0.418 37.553 38.000 -0.049 0.000 1.069 436 I HN 0.440 nan 8.210 nan 0.000 0.424 437 R N 0.790 121.185 120.500 -0.175 0.000 2.105 437 R HA -0.167 4.164 4.340 -0.015 0.000 0.239 437 R C 2.208 178.377 176.300 -0.218 0.000 1.135 437 R CA 1.194 57.179 56.100 -0.192 0.000 0.967 437 R CB -0.230 29.884 30.300 -0.309 0.000 0.861 437 R HN 0.412 nan 8.270 nan 0.000 0.442 438 K N 0.183 120.404 120.400 -0.298 0.000 2.103 438 K HA -0.028 4.283 4.320 -0.015 0.000 0.204 438 K C 2.061 178.568 176.600 -0.154 0.000 1.052 438 K CA 1.006 57.170 56.287 -0.206 0.000 0.945 438 K CB 0.022 32.393 32.500 -0.214 0.000 0.722 438 K HN -0.013 nan 8.250 nan 0.000 0.443 439 V N 2.117 121.952 119.914 -0.131 0.000 2.407 439 V HA -0.246 3.865 4.120 -0.015 0.000 0.248 439 V C 2.002 178.081 176.094 -0.025 0.000 1.055 439 V CA 1.686 63.930 62.300 -0.093 0.000 1.049 439 V CB -0.397 31.419 31.823 -0.010 0.000 0.662 439 V HN 0.281 nan 8.190 nan 0.000 0.455 440 K N -0.185 120.169 120.400 -0.077 0.000 2.097 440 K HA -0.102 4.209 4.320 -0.015 0.000 0.206 440 K C 2.060 178.576 176.600 -0.140 0.000 1.049 440 K CA 1.284 57.456 56.287 -0.190 0.000 0.933 440 K CB -0.254 31.944 32.500 -0.505 0.000 0.717 440 K HN 0.380 nan 8.250 nan 0.000 0.442 441 L N 0.733 121.809 121.223 -0.245 0.000 2.093 441 L HA -0.166 4.165 4.340 -0.015 0.000 0.208 441 L C 2.275 178.744 176.870 -0.669 0.000 1.085 441 L CA 0.915 55.498 54.840 -0.429 0.000 0.755 441 L CB -0.461 41.406 42.059 -0.320 0.000 0.904 441 L HN 0.189 nan 8.230 nan 0.000 0.435 442 L N -1.063 119.842 121.223 -0.530 0.000 2.012 442 L HA -0.241 4.090 4.340 -0.015 0.000 0.210 442 L C 2.546 179.264 176.870 -0.253 0.000 1.073 442 L CA 1.620 56.172 54.840 -0.481 0.000 0.748 442 L CB -0.572 41.252 42.059 -0.392 0.000 0.891 442 L HN 0.103 nan 8.230 nan 0.000 0.431 443 F N -0.611 119.289 119.950 -0.084 0.000 2.171 443 F HA -0.272 4.246 4.527 -0.015 0.000 0.300 443 F C 2.352 178.129 175.800 -0.038 0.000 1.090 443 F CA 0.968 58.961 58.000 -0.012 0.000 1.293 443 F CB -0.231 38.799 39.000 0.051 0.000 1.013 443 F HN 0.044 nan 8.300 nan 0.000 0.486 444 L N -0.509 120.775 121.223 0.102 0.000 2.012 444 L HA -0.241 4.090 4.340 -0.015 0.000 0.210 444 L C 2.099 179.043 176.870 0.123 0.000 1.073 444 L CA 1.790 56.631 54.840 0.001 0.000 0.748 444 L CB -1.137 40.806 42.059 -0.194 0.000 0.891 444 L HN 0.122 nan 8.230 nan 0.000 0.431 445 F N 0.142 120.071 119.950 -0.035 0.000 2.084 445 F HA -0.220 4.298 4.527 -0.015 0.000 0.296 445 F C 2.727 178.663 175.800 0.227 0.000 1.111 445 F CA 2.154 60.234 58.000 0.135 0.000 1.224 445 F CB -0.521 38.506 39.000 0.046 0.000 0.991 445 F HN 0.322 nan 8.300 nan 0.000 0.471 446 Q N 0.336 120.298 119.800 0.270 0.000 2.045 446 Q HA -0.226 4.105 4.340 -0.015 0.000 0.206 446 Q C 2.076 178.160 176.000 0.141 0.000 0.991 446 Q CA 2.213 58.171 55.803 0.257 0.000 0.851 446 Q CB -0.422 28.443 28.738 0.213 0.000 0.911 446 Q HN 0.524 nan 8.270 nan 0.000 0.418 447 L N 0.417 121.716 121.223 0.126 0.000 2.622 447 L HA -0.029 4.302 4.340 -0.015 0.000 0.233 447 L C 1.693 178.596 176.870 0.055 0.000 1.156 447 L CA 1.081 55.969 54.840 0.079 0.000 0.866 447 L CB -0.134 41.960 42.059 0.058 0.000 0.980 447 L HN 0.379 nan 8.230 nan 0.000 0.448 448 T N -4.984 109.609 114.554 0.065 0.000 3.044 448 T HA 0.147 4.488 4.350 -0.015 0.000 0.260 448 T C 0.101 174.824 174.700 0.038 0.000 1.019 448 T CA -0.320 61.818 62.100 0.064 0.000 0.921 448 T CB -0.087 68.865 68.868 0.141 0.000 1.053 448 T HN -0.065 nan 8.240 nan 0.000 0.533 449 F N 2.963 122.801 119.950 -0.186 0.000 2.385 449 F HA 0.516 5.035 4.527 -0.014 0.000 0.336 449 F C 0.451 176.163 175.800 -0.147 0.000 1.100 449 F CA -0.590 57.271 58.000 -0.233 0.000 1.116 449 F CB 1.299 40.151 39.000 -0.247 0.000 1.166 449 F HN -0.082 nan 8.300 nan 0.000 0.511 450 T N 4.100 118.393 114.554 -0.436 0.000 2.916 450 T HA 0.528 4.870 4.350 -0.015 0.000 0.303 450 T C 0.342 174.959 174.700 -0.140 0.000 1.025 450 T CA 0.801 62.738 62.100 -0.271 0.000 1.142 450 T CB 0.392 69.058 68.868 -0.338 0.000 0.947 450 T HN 1.078 nan 8.240 nan 0.000 0.544 451 G N 1.588 110.345 108.800 -0.071 0.000 2.278 451 G HA2 0.184 4.135 3.960 -0.015 0.000 0.265 451 G HA3 0.184 4.135 3.960 -0.015 0.000 0.265 451 G C -0.691 174.199 174.900 -0.017 0.000 1.329 451 G CA -0.361 44.720 45.100 -0.032 0.000 1.017 451 G HN 0.724 nan 8.290 nan 0.000 0.472 452 S N 2.852 118.558 115.700 0.010 0.000 2.406 452 S HA 0.658 5.119 4.470 -0.015 0.000 0.224 452 S C -2.336 172.257 174.600 -0.011 0.000 1.426 452 S CA -0.886 57.360 58.200 0.077 0.000 1.179 452 S CB 1.075 64.404 63.200 0.216 0.000 1.042 452 S HN 0.608 nan 8.310 nan 0.000 0.479 453 P HA 0.243 nan 4.420 nan 0.000 0.272 453 P C -0.563 176.646 177.300 -0.151 0.000 1.223 453 P CA -0.389 62.613 63.100 -0.162 0.000 0.784 453 P CB 0.800 32.469 31.700 -0.052 0.000 0.923 454 C N 4.268 123.377 119.300 -0.319 0.000 2.482 454 C HA 0.624 5.075 4.460 -0.015 0.000 0.317 454 C C -0.345 174.647 174.990 0.004 0.000 1.197 454 C CA -0.669 58.242 59.018 -0.179 0.000 1.432 454 C CB -0.357 26.998 27.740 -0.641 0.000 2.062 454 C HN 0.467 nan 8.230 nan 0.000 0.471 455 I N 5.588 126.247 120.570 0.149 0.000 2.377 455 I HA 0.260 4.421 4.170 -0.015 0.000 0.293 455 I C -0.727 175.421 176.117 0.052 0.000 0.987 455 I CA -0.562 60.844 61.300 0.177 0.000 1.185 455 I CB 1.124 39.296 38.000 0.288 0.000 1.341 455 I HN 0.626 nan 8.210 nan 0.000 0.455 456 Y N 8.356 128.614 120.300 -0.070 0.000 2.359 456 Y HA 0.148 4.689 4.550 -0.015 0.000 0.334 456 Y C 0.005 175.738 175.900 -0.278 0.000 1.058 456 Y CA -1.100 56.922 58.100 -0.131 0.000 1.244 456 Y CB 0.183 38.600 38.460 -0.071 0.000 1.187 456 Y HN 0.449 nan 8.280 nan 0.000 0.510 457 Y N 4.640 124.417 120.300 -0.872 0.000 2.969 457 Y HA 0.268 4.809 4.550 -0.015 0.000 0.339 457 Y C 1.078 176.737 175.900 -0.400 0.000 1.272 457 Y CA 0.062 57.743 58.100 -0.698 0.000 1.577 457 Y CB -0.144 38.099 38.460 -0.362 0.000 1.234 457 Y HN 0.946 nan 8.280 nan 0.000 0.590 458 G N 2.868 111.567 108.800 -0.169 0.000 2.268 458 G HA2 -0.354 3.598 3.960 -0.015 0.000 0.240 458 G HA3 -0.354 3.598 3.960 -0.015 0.000 0.240 458 G C 0.787 175.630 174.900 -0.094 0.000 1.010 458 G CA 0.331 45.297 45.100 -0.224 0.000 0.618 458 G HN 0.616 nan 8.290 nan 0.000 0.516 459 D N 1.267 121.641 120.400 -0.043 0.000 2.219 459 D HA -0.018 4.613 4.640 -0.015 0.000 0.205 459 D C 2.450 178.929 176.300 0.298 0.000 0.970 459 D CA 1.358 55.447 54.000 0.149 0.000 0.851 459 D CB -0.110 40.826 40.800 0.227 0.000 0.943 459 D HN 0.738 nan 8.370 nan 0.000 0.488 460 E N 1.184 121.517 120.200 0.221 0.000 2.418 460 E HA -0.128 4.213 4.350 -0.015 0.000 0.197 460 E C 1.642 178.303 176.600 0.101 0.000 1.026 460 E CA 0.501 56.931 56.400 0.050 0.000 0.862 460 E CB -0.349 29.343 29.700 -0.013 0.000 0.799 460 E HN 0.478 nan 8.360 nan 0.000 0.518 461 I N -3.631 117.025 120.570 0.143 0.000 3.936 461 I HA 0.541 4.702 4.170 -0.015 0.000 0.330 461 I C 0.855 177.013 176.117 0.068 0.000 1.509 461 I CA -0.177 61.203 61.300 0.133 0.000 1.126 461 I CB 0.614 38.696 38.000 0.137 0.000 1.115 461 I HN -0.009 nan 8.210 nan 0.000 0.424 462 G N 2.197 111.040 108.800 0.073 0.000 2.246 462 G HA2 -0.264 3.688 3.960 -0.015 0.000 0.273 462 G HA3 -0.264 3.688 3.960 -0.015 0.000 0.273 462 G C 0.047 174.942 174.900 -0.009 0.000 1.055 462 G CA 0.071 45.195 45.100 0.040 0.000 0.851 462 G HN 0.458 nan 8.290 nan 0.000 0.500 463 M N 0.742 120.317 119.600 -0.042 0.000 2.240 463 M HA 0.424 4.895 4.480 -0.015 0.000 0.333 463 M C 1.250 177.508 176.300 -0.071 0.000 1.110 463 M CA 0.891 56.137 55.300 -0.089 0.000 1.173 463 M CB 0.737 33.233 32.600 -0.173 0.000 1.458 463 M HN 0.531 nan 8.290 nan 0.000 0.458 464 T N -0.618 113.892 114.554 -0.072 0.000 2.940 464 T HA 0.952 5.293 4.350 -0.015 0.000 0.288 464 T C -0.199 174.465 174.700 -0.060 0.000 1.045 464 T CA -0.491 61.575 62.100 -0.056 0.000 1.018 464 T CB 2.088 70.928 68.868 -0.047 0.000 1.151 464 T HN 1.013 nan 8.240 nan 0.000 0.529 465 G N -1.000 107.772 108.800 -0.047 0.000 2.318 465 G HA2 0.487 4.438 3.960 -0.015 0.000 0.302 465 G HA3 0.487 4.438 3.960 -0.015 0.000 0.302 465 G C -0.148 174.731 174.900 -0.036 0.000 1.633 465 G CA -0.263 44.811 45.100 -0.043 0.000 0.965 465 G HN 1.028 nan 8.290 nan 0.000 0.698 466 G N 0.092 108.871 108.800 -0.035 0.000 2.514 466 G HA2 0.449 4.400 3.960 -0.015 0.000 0.245 466 G HA3 0.449 4.400 3.960 -0.015 0.000 0.245 466 G C 0.480 175.359 174.900 -0.036 0.000 1.488 466 G CA -0.108 44.971 45.100 -0.034 0.000 1.063 466 G HN 0.738 nan 8.290 nan 0.000 0.557 467 N N 0.002 118.680 118.700 -0.038 0.000 2.381 467 N HA 0.068 4.799 4.740 -0.015 0.000 0.254 467 N C -0.107 175.373 175.510 -0.050 0.000 1.264 467 N CA -0.461 52.562 53.050 -0.045 0.000 0.942 467 N CB 0.772 39.232 38.487 -0.045 0.000 1.190 467 N HN 0.394 nan 8.380 nan 0.000 0.495 468 D N 0.524 120.885 120.400 -0.064 0.000 2.877 468 D HA -0.093 4.539 4.640 -0.015 0.000 0.220 468 D C -1.531 174.741 176.300 -0.047 0.000 1.089 468 D CA -0.405 53.555 54.000 -0.068 0.000 0.811 468 D CB 0.567 41.312 40.800 -0.091 0.000 1.162 468 D HN 0.367 nan 8.370 nan 0.000 0.513 469 P HA 0.053 nan 4.420 nan 0.000 0.261 469 P C 0.902 178.181 177.300 -0.036 0.000 1.268 469 P CA 0.080 63.159 63.100 -0.034 0.000 0.833 469 P CB 0.366 32.067 31.700 0.002 0.000 1.231 470 E N 0.450 120.631 120.200 -0.032 0.000 2.209 470 E HA -0.169 4.172 4.350 -0.015 0.000 0.196 470 E C 1.436 178.013 176.600 -0.038 0.000 0.993 470 E CA 1.453 57.833 56.400 -0.033 0.000 0.819 470 E CB -0.204 29.477 29.700 -0.032 0.000 0.745 470 E HN 0.381 nan 8.360 nan 0.000 0.477 471 C N -0.693 118.590 119.300 -0.027 0.000 2.576 471 C HA 0.254 4.705 4.460 -0.015 0.000 0.267 471 C C 1.431 176.457 174.990 0.059 0.000 1.364 471 C CA -0.569 58.459 59.018 0.017 0.000 1.723 471 C CB -1.025 26.726 27.740 0.019 0.000 1.778 471 C HN 0.116 nan 8.230 nan 0.000 0.572 472 R N 0.966 121.456 120.500 -0.016 0.000 2.831 472 R HA 0.247 4.578 4.340 -0.015 0.000 0.337 472 R C 0.066 176.357 176.300 -0.015 0.000 1.200 472 R CA -0.164 55.922 56.100 -0.024 0.000 1.088 472 R CB 0.080 30.194 30.300 -0.309 0.000 1.397 472 R HN 0.573 nan 8.270 nan 0.000 0.581 473 K N 0.496 120.849 120.400 -0.078 0.000 2.336 473 K HA 0.089 4.400 4.320 -0.015 0.000 0.262 473 K C 0.111 176.558 176.600 -0.255 0.000 0.992 473 K CA -0.279 55.872 56.287 -0.227 0.000 0.927 473 K CB 0.664 33.033 32.500 -0.218 0.000 0.956 473 K HN 0.136 nan 8.250 nan 0.000 0.495 474 C N 2.450 121.367 119.300 -0.639 0.000 2.657 474 C HA -0.006 4.445 4.460 -0.015 0.000 0.420 474 C C 0.823 175.641 174.990 -0.288 0.000 1.323 474 C CA -0.624 57.911 59.018 -0.807 0.000 1.894 474 C CB -0.639 26.006 27.740 -1.825 0.000 2.681 474 C HN 0.720 nan 8.230 nan 0.000 0.613 475 M N 3.851 123.469 119.600 0.030 0.000 2.248 475 M HA 0.173 4.644 4.480 -0.015 0.000 0.345 475 M C -0.393 175.704 176.300 -0.338 0.000 1.243 475 M CA 0.559 55.771 55.300 -0.147 0.000 1.090 475 M CB 0.383 32.710 32.600 -0.454 0.000 1.683 475 M HN 0.485 nan 8.290 nan 0.000 0.450 476 V N 7.848 127.496 119.914 -0.443 0.000 2.372 476 V HA 0.056 4.167 4.120 -0.015 0.000 0.261 476 V C 0.011 175.825 176.094 -0.468 0.000 1.055 476 V CA 0.143 62.261 62.300 -0.302 0.000 0.930 476 V CB -0.204 31.512 31.823 -0.179 0.000 1.031 476 V HN 1.069 nan 8.190 nan 0.000 0.479 477 W N 0.979 122.245 121.300 -0.056 0.000 2.996 477 W HA 0.168 4.819 4.660 -0.015 0.000 0.270 477 W C 1.007 177.481 176.519 -0.075 0.000 1.280 477 W CA -0.498 56.756 57.345 -0.151 0.000 1.549 477 W CB 0.383 29.713 29.460 -0.217 0.000 1.079 477 W HN 0.542 nan 8.180 nan 0.000 0.629 478 D N 2.289 122.782 120.400 0.155 0.000 2.363 478 D HA -0.026 4.606 4.640 -0.015 0.000 0.263 478 D C -0.840 175.500 176.300 0.068 0.000 1.258 478 D CA -1.448 52.613 54.000 0.102 0.000 0.907 478 D CB 1.102 41.950 40.800 0.081 0.000 1.107 478 D HN -0.086 nan 8.370 nan 0.000 0.495 479 P HA -0.210 nan 4.420 nan 0.000 0.218 479 P C 1.300 178.619 177.300 0.031 0.000 1.146 479 P CA 0.969 64.098 63.100 0.047 0.000 0.813 479 P CB 0.109 31.835 31.700 0.042 0.000 0.778 480 M N -1.211 118.408 119.600 0.031 0.000 2.476 480 M HA -0.030 4.441 4.480 -0.015 0.000 0.262 480 M C 1.596 177.908 176.300 0.020 0.000 1.079 480 M CA 1.266 56.581 55.300 0.024 0.000 1.104 480 M CB -0.899 31.716 32.600 0.024 0.000 1.409 480 M HN 0.036 nan 8.290 nan 0.000 0.467 481 Q N -0.137 119.675 119.800 0.020 0.000 2.281 481 Q HA 0.213 4.544 4.340 -0.015 0.000 0.215 481 Q C 0.172 176.174 176.000 0.003 0.000 0.867 481 Q CA 0.210 56.018 55.803 0.009 0.000 0.940 481 Q CB 0.522 29.262 28.738 0.005 0.000 1.111 481 Q HN 0.586 nan 8.270 nan 0.000 0.513 482 Q N 1.180 120.988 119.800 0.012 0.000 2.288 482 Q HA 0.167 4.498 4.340 -0.015 0.000 0.254 482 Q C 0.078 176.101 176.000 0.038 0.000 0.932 482 Q CA -0.274 55.543 55.803 0.024 0.000 0.902 482 Q CB 0.844 29.608 28.738 0.043 0.000 1.203 482 Q HN 0.011 nan 8.270 nan 0.000 0.415 483 N N 2.592 121.323 118.700 0.051 0.000 2.402 483 N HA -0.019 4.712 4.740 -0.015 0.000 0.259 483 N C 0.217 175.776 175.510 0.083 0.000 1.167 483 N CA 0.162 53.245 53.050 0.054 0.000 0.949 483 N CB 0.593 39.109 38.487 0.048 0.000 1.212 483 N HN 0.521 nan 8.380 nan 0.000 0.493 484 K N 2.542 122.981 120.400 0.065 0.000 2.057 484 K HA -0.202 4.109 4.320 -0.015 0.000 0.207 484 K C 1.474 178.135 176.600 0.101 0.000 1.049 484 K CA 1.139 57.469 56.287 0.073 0.000 0.931 484 K CB 0.116 32.640 32.500 0.040 0.000 0.714 484 K HN 0.638 nan 8.250 nan 0.000 0.440 485 E N 1.387 121.633 120.200 0.077 0.000 2.070 485 E HA -0.220 4.122 4.350 -0.015 0.000 0.197 485 E C 2.058 178.720 176.600 0.103 0.000 1.004 485 E CA 1.112 57.559 56.400 0.078 0.000 0.805 485 E CB -0.023 29.704 29.700 0.045 0.000 0.744 485 E HN 0.237 nan 8.360 nan 0.000 0.451 486 L N 0.408 121.685 121.223 0.090 0.000 2.046 486 L HA -0.207 4.125 4.340 -0.015 0.000 0.208 486 L C 2.937 179.850 176.870 0.072 0.000 1.077 486 L CA 1.407 56.298 54.840 0.085 0.000 0.747 486 L CB -0.691 41.418 42.059 0.083 0.000 0.896 486 L HN 0.396 nan 8.230 nan 0.000 0.432 487 H N 0.574 119.655 119.070 0.018 0.000 2.352 487 H HA -0.188 4.360 4.556 -0.015 0.000 0.299 487 H C 2.109 177.427 175.328 -0.017 0.000 1.097 487 H CA 1.956 58.003 56.048 -0.001 0.000 1.311 487 H CB 0.162 29.957 29.762 0.055 0.000 1.377 487 H HN 0.460 nan 8.280 nan 0.000 0.504 488 Q N -0.966 118.972 119.800 0.230 0.000 2.079 488 Q HA -0.163 4.168 4.340 -0.015 0.000 0.200 488 Q C 2.328 178.375 176.000 0.079 0.000 0.974 488 Q CA 1.430 57.330 55.803 0.161 0.000 0.840 488 Q CB -0.213 28.611 28.738 0.144 0.000 0.898 488 Q HN 0.581 nan 8.270 nan 0.000 0.430 489 H N 0.513 119.576 119.070 -0.011 0.000 2.319 489 H HA -0.118 4.429 4.556 -0.015 0.000 0.299 489 H C 1.854 177.104 175.328 -0.130 0.000 1.092 489 H CA 1.786 57.818 56.048 -0.028 0.000 1.302 489 H CB -0.122 29.636 29.762 -0.006 0.000 1.373 489 H HN -0.008 nan 8.280 nan 0.000 0.497 490 V N 0.832 120.577 119.914 -0.282 0.000 2.295 490 V HA -0.238 3.873 4.120 -0.015 0.000 0.246 490 V C 2.544 178.438 176.094 -0.333 0.000 1.049 490 V CA 2.213 64.226 62.300 -0.477 0.000 1.024 490 V CB -0.601 30.824 31.823 -0.664 0.000 0.648 490 V HN 0.446 nan 8.190 nan 0.000 0.447 491 K N -0.070 120.159 120.400 -0.286 0.000 2.063 491 K HA -0.290 4.021 4.320 -0.015 0.000 0.208 491 K C 2.306 178.829 176.600 -0.128 0.000 1.048 491 K CA 2.104 58.269 56.287 -0.203 0.000 0.928 491 K CB -0.179 32.234 32.500 -0.144 0.000 0.713 491 K HN 0.560 nan 8.250 nan 0.000 0.442 492 Q N 0.563 120.296 119.800 -0.111 0.000 2.050 492 Q HA -0.169 4.162 4.340 -0.015 0.000 0.202 492 Q C 2.157 178.100 176.000 -0.096 0.000 0.980 492 Q CA 1.620 57.380 55.803 -0.072 0.000 0.840 492 Q CB -0.079 28.636 28.738 -0.038 0.000 0.898 492 Q HN 0.393 nan 8.270 nan 0.000 0.424 493 L N 0.295 121.408 121.223 -0.184 0.000 2.056 493 L HA -0.180 4.151 4.340 -0.015 0.000 0.207 493 L C 2.430 179.248 176.870 -0.087 0.000 1.078 493 L CA 0.842 55.589 54.840 -0.156 0.000 0.749 493 L CB -0.326 41.584 42.059 -0.248 0.000 0.901 493 L HN 0.337 nan 8.230 nan 0.000 0.433 494 I N -0.161 120.347 120.570 -0.103 0.000 2.286 494 I HA -0.293 3.868 4.170 -0.015 0.000 0.248 494 I C 2.792 178.886 176.117 -0.038 0.000 1.115 494 I CA 1.141 62.402 61.300 -0.065 0.000 1.392 494 I CB -0.478 37.470 38.000 -0.087 0.000 1.065 494 I HN 0.215 nan 8.210 nan 0.000 0.418 495 A N 0.989 123.786 122.820 -0.038 0.000 1.902 495 A HA -0.156 4.155 4.320 -0.015 0.000 0.217 495 A C 2.323 179.926 177.584 0.032 0.000 1.181 495 A CA 1.334 53.366 52.037 -0.010 0.000 0.623 495 A CB -0.780 18.215 19.000 -0.009 0.000 0.818 495 A HN 0.362 nan 8.150 nan 0.000 0.443 496 L N -1.139 120.110 121.223 0.044 0.000 2.017 496 L HA -0.193 4.138 4.340 -0.015 0.000 0.208 496 L C 2.839 179.801 176.870 0.154 0.000 1.073 496 L CA 1.796 56.708 54.840 0.120 0.000 0.745 496 L CB -0.478 41.611 42.059 0.049 0.000 0.894 496 L HN 0.488 nan 8.230 nan 0.000 0.432 497 R N 0.787 121.328 120.500 0.069 0.000 2.091 497 R HA -0.248 4.084 4.340 -0.015 0.000 0.238 497 R C 2.337 178.671 176.300 0.058 0.000 1.136 497 R CA 1.914 58.051 56.100 0.062 0.000 0.959 497 R CB -0.139 30.174 30.300 0.021 0.000 0.856 497 R HN 0.211 nan 8.270 nan 0.000 0.437 498 K N 0.173 120.591 120.400 0.030 0.000 2.211 498 K HA -0.196 4.115 4.320 -0.015 0.000 0.203 498 K C 2.004 178.600 176.600 -0.008 0.000 1.050 498 K CA 1.558 57.846 56.287 0.003 0.000 0.945 498 K CB 0.057 32.549 32.500 -0.015 0.000 0.732 498 K HN 0.284 nan 8.250 nan 0.000 0.451 499 Q N -0.730 119.080 119.800 0.018 0.000 2.354 499 Q HA -0.029 4.302 4.340 -0.015 0.000 0.203 499 Q C -0.640 175.191 176.000 -0.282 0.000 0.933 499 Q CA 0.435 56.177 55.803 -0.101 0.000 0.901 499 Q CB 0.398 29.100 28.738 -0.060 0.000 1.007 499 Q HN 0.213 nan 8.270 nan 0.000 0.495 500 Y N 0.049 120.341 120.300 -0.013 0.000 2.388 500 Y HA 0.307 4.848 4.550 -0.015 0.000 0.328 500 Y C 0.679 176.568 175.900 -0.018 0.000 0.963 500 Y CA -0.800 57.292 58.100 -0.012 0.000 1.240 500 Y CB 1.150 39.605 38.460 -0.009 0.000 1.118 500 Y HN -0.041 nan 8.280 nan 0.000 0.484 501 R N 0.886 121.419 120.500 0.055 0.000 2.105 501 R HA -0.194 4.137 4.340 -0.015 0.000 0.239 501 R C 1.973 178.294 176.300 0.036 0.000 1.135 501 R CA 2.055 58.172 56.100 0.028 0.000 0.967 501 R CB 0.047 30.347 30.300 0.000 0.000 0.861 501 R HN 0.787 nan 8.270 nan 0.000 0.442 502 S N 0.340 116.078 115.700 0.062 0.000 2.400 502 S HA -0.139 4.322 4.470 -0.015 0.000 0.232 502 S C 1.990 176.592 174.600 0.003 0.000 1.025 502 S CA 1.130 59.346 58.200 0.026 0.000 0.993 502 S CB -0.430 62.794 63.200 0.040 0.000 0.808 502 S HN 0.357 nan 8.310 nan 0.000 0.478 503 L N 0.344 121.590 121.223 0.037 0.000 2.109 503 L HA 0.046 4.377 4.340 -0.015 0.000 0.207 503 L C 3.100 179.960 176.870 -0.015 0.000 1.086 503 L CA 1.209 56.057 54.840 0.014 0.000 0.760 503 L CB -0.400 41.687 42.059 0.046 0.000 0.910 503 L HN 0.275 nan 8.230 nan 0.000 0.437 504 R N -0.079 120.418 120.500 -0.006 0.000 2.100 504 R HA 0.037 4.368 4.340 -0.015 0.000 0.220 504 R C 1.565 177.836 176.300 -0.048 0.000 1.091 504 R CA 0.826 56.912 56.100 -0.023 0.000 0.986 504 R CB 0.161 30.455 30.300 -0.011 0.000 0.888 504 R HN 0.281 nan 8.270 nan 0.000 0.444 505 R N -0.586 119.888 120.500 -0.044 0.000 2.541 505 R HA 0.205 4.536 4.340 -0.015 0.000 0.332 505 R C 0.458 176.719 176.300 -0.066 0.000 0.951 505 R CA -0.150 55.921 56.100 -0.049 0.000 1.136 505 R CB 1.591 31.881 30.300 -0.016 0.000 1.449 505 R HN 0.060 nan 8.270 nan 0.000 0.531 506 G N 1.036 109.787 108.800 -0.082 0.000 2.588 506 G HA2 0.088 4.040 3.960 -0.015 0.000 0.281 506 G HA3 0.088 4.040 3.960 -0.015 0.000 0.281 506 G C -0.769 174.038 174.900 -0.155 0.000 1.236 506 G CA -0.384 44.659 45.100 -0.095 0.000 0.969 506 G HN 0.140 nan 8.290 nan 0.000 0.504 507 E N -1.126 118.983 120.200 -0.152 0.000 2.313 507 E HA 0.418 4.760 4.350 -0.015 0.000 0.272 507 E C -0.723 175.767 176.600 -0.183 0.000 1.038 507 E CA -0.643 55.642 56.400 -0.192 0.000 0.863 507 E CB 1.259 30.848 29.700 -0.185 0.000 1.060 507 E HN 0.328 nan 8.360 nan 0.000 0.402 508 I N 2.896 123.336 120.570 -0.218 0.000 2.493 508 I HA 0.342 4.503 4.170 -0.015 0.000 0.298 508 I C -1.158 174.869 176.117 -0.150 0.000 0.998 508 I CA -0.350 60.822 61.300 -0.213 0.000 1.137 508 I CB 1.382 39.188 38.000 -0.324 0.000 1.310 508 I HN 0.656 nan 8.210 nan 0.000 0.445 509 S N 5.744 121.346 115.700 -0.163 0.000 2.547 509 S HA 0.605 5.066 4.470 -0.015 0.000 0.281 509 S C -1.104 173.421 174.600 -0.124 0.000 1.118 509 S CA -0.677 57.496 58.200 -0.046 0.000 0.947 509 S CB 1.287 64.498 63.200 0.018 0.000 1.053 509 S HN 0.401 nan 8.310 nan 0.000 0.482 510 F N 1.649 121.672 119.950 0.120 0.000 2.420 510 F HA 0.606 5.124 4.527 -0.015 0.000 0.342 510 F C -0.416 175.441 175.800 0.096 0.000 1.113 510 F CA -0.925 57.139 58.000 0.107 0.000 1.059 510 F CB 1.329 40.313 39.000 -0.026 0.000 1.128 510 F HN 0.382 nan 8.300 nan 0.000 0.475 511 L N 3.825 125.211 121.223 0.271 0.000 2.295 511 L HA 0.365 4.696 4.340 -0.015 0.000 0.285 511 L C -0.529 176.484 176.870 0.239 0.000 1.035 511 L CA -0.715 54.293 54.840 0.279 0.000 0.806 511 L CB 0.583 42.766 42.059 0.207 0.000 1.214 511 L HN 0.422 nan 8.230 nan 0.000 0.426 512 H N 1.997 121.155 119.070 0.147 0.000 2.800 512 H HA 0.587 5.135 4.556 -0.014 0.000 0.291 512 H C 0.278 175.679 175.328 0.120 0.000 1.076 512 H CA -0.142 55.979 56.048 0.121 0.000 1.452 512 H CB 0.474 30.284 29.762 0.080 0.000 1.461 512 H HN 0.764 nan 8.280 nan 0.000 0.488 513 A N 2.883 125.836 122.820 0.222 0.000 2.240 513 A HA 0.135 4.447 4.320 -0.015 0.000 0.292 513 A C 1.372 179.061 177.584 0.175 0.000 1.121 513 A CA -0.148 52.014 52.037 0.210 0.000 0.851 513 A CB 0.433 19.595 19.000 0.271 0.000 1.167 513 A HN 0.865 nan 8.150 nan 0.000 0.503 514 D N -0.261 120.242 120.400 0.171 0.000 2.084 514 D HA -0.185 4.446 4.640 -0.015 0.000 0.194 514 D C 0.195 176.543 176.300 0.080 0.000 0.990 514 D CA 1.595 55.669 54.000 0.122 0.000 0.826 514 D CB -0.449 40.428 40.800 0.129 0.000 0.971 514 D HN 0.507 nan 8.370 nan 0.000 0.453 515 D N 0.913 121.354 120.400 0.068 0.000 2.522 515 D HA 0.026 4.657 4.640 -0.015 0.000 0.218 515 D C 0.318 176.547 176.300 -0.118 0.000 1.149 515 D CA -0.229 53.697 54.000 -0.123 0.000 0.981 515 D CB 0.356 40.873 40.800 -0.471 0.000 1.041 515 D HN -0.107 nan 8.370 nan 0.000 0.518 516 E N 2.789 122.969 120.200 -0.033 0.000 2.482 516 E HA -0.100 4.241 4.350 -0.015 0.000 0.200 516 E C 0.893 177.465 176.600 -0.045 0.000 1.147 516 E CA 0.175 56.568 56.400 -0.011 0.000 0.912 516 E CB 0.116 29.826 29.700 0.016 0.000 0.938 516 E HN 0.683 nan 8.360 nan 0.000 0.519 517 M N -0.313 119.225 119.600 -0.103 0.000 2.738 517 M HA 0.037 4.508 4.480 -0.015 0.000 0.256 517 M C 0.960 177.241 176.300 -0.031 0.000 1.253 517 M CA 0.808 56.062 55.300 -0.077 0.000 1.223 517 M CB 0.563 33.095 32.600 -0.114 0.000 1.263 517 M HN -0.107 nan 8.290 nan 0.000 0.521 518 N N -1.100 117.495 118.700 -0.174 0.000 2.227 518 N HA 0.131 4.862 4.740 -0.015 0.000 0.196 518 N C -0.838 174.804 175.510 0.220 0.000 1.142 518 N CA 0.150 53.169 53.050 -0.052 0.000 0.887 518 N CB 0.501 38.891 38.487 -0.160 0.000 1.022 518 N HN 0.378 nan 8.380 nan 0.000 0.500 519 Y N 1.100 121.488 120.300 0.146 0.000 2.341 519 Y HA 0.395 4.936 4.550 -0.015 0.000 0.340 519 Y C -0.162 175.870 175.900 0.220 0.000 0.997 519 Y CA -1.143 57.060 58.100 0.171 0.000 1.149 519 Y CB 1.329 39.863 38.460 0.124 0.000 1.171 519 Y HN -0.156 nan 8.280 nan 0.000 0.494 520 L N 6.071 127.577 121.223 0.472 0.000 2.296 520 L HA 0.601 4.932 4.340 -0.015 0.000 0.286 520 L C -1.046 176.104 176.870 0.466 0.000 1.023 520 L CA -0.552 54.562 54.840 0.457 0.000 0.812 520 L CB 0.830 43.225 42.059 0.561 0.000 1.223 520 L HN 0.498 nan 8.230 nan 0.000 0.421 521 I N 6.496 127.324 120.570 0.429 0.000 2.478 521 I HA 0.425 4.586 4.170 -0.015 0.000 0.287 521 I C -1.238 175.088 176.117 0.347 0.000 1.042 521 I CA -0.668 60.817 61.300 0.308 0.000 1.067 521 I CB 1.429 39.561 38.000 0.220 0.000 1.233 521 I HN 0.628 nan 8.210 nan 0.000 0.431 522 Y N 3.603 123.972 120.300 0.116 0.000 2.615 522 Y HA 0.779 5.320 4.550 -0.015 0.000 0.341 522 Y C -1.421 174.439 175.900 -0.067 0.000 1.089 522 Y CA -1.273 56.769 58.100 -0.096 0.000 1.049 522 Y CB 1.533 39.756 38.460 -0.396 0.000 1.296 522 Y HN 0.297 nan 8.280 nan 0.000 0.470 523 K N 1.688 122.096 120.400 0.013 0.000 2.375 523 K HA 0.551 4.862 4.320 -0.015 0.000 0.249 523 K C -1.324 175.274 176.600 -0.003 0.000 0.942 523 K CA -1.351 54.923 56.287 -0.022 0.000 0.806 523 K CB 1.968 34.466 32.500 -0.004 0.000 1.227 523 K HN 0.427 nan 8.250 nan 0.000 0.430 524 K N 1.348 121.738 120.400 -0.016 0.000 2.345 524 K HA 0.471 4.782 4.320 -0.015 0.000 0.255 524 K C -0.892 175.691 176.600 -0.029 0.000 0.934 524 K CA -0.554 55.713 56.287 -0.033 0.000 0.801 524 K CB 2.125 34.612 32.500 -0.021 0.000 1.137 524 K HN 0.660 nan 8.250 nan 0.000 0.424 525 T N 0.630 115.157 114.554 -0.045 0.000 2.982 525 T HA 0.274 4.615 4.350 -0.015 0.000 0.321 525 T C -1.056 173.616 174.700 -0.046 0.000 1.229 525 T CA -0.605 61.476 62.100 -0.031 0.000 1.044 525 T CB 0.902 69.752 68.868 -0.029 0.000 1.184 525 T HN 0.648 nan 8.240 nan 0.000 0.477 526 D N 1.464 121.846 120.400 -0.030 0.000 2.513 526 D HA 0.305 4.936 4.640 -0.015 0.000 0.222 526 D C 1.369 177.651 176.300 -0.030 0.000 1.210 526 D CA 0.595 54.575 54.000 -0.033 0.000 0.825 526 D CB 0.011 40.801 40.800 -0.017 0.000 1.037 526 D HN 1.081 nan 8.370 nan 0.000 0.506 527 G N 0.923 109.703 108.800 -0.034 0.000 2.234 527 G HA2 -0.318 3.633 3.960 -0.015 0.000 0.235 527 G HA3 -0.318 3.633 3.960 -0.015 0.000 0.235 527 G C 0.625 175.504 174.900 -0.035 0.000 0.997 527 G CA 0.450 45.528 45.100 -0.038 0.000 0.623 527 G HN 0.494 nan 8.290 nan 0.000 0.514 528 D N 0.828 121.214 120.400 -0.024 0.000 2.514 528 D HA 0.115 4.746 4.640 -0.015 0.000 0.249 528 D C 0.822 177.113 176.300 -0.015 0.000 1.036 528 D CA 1.108 55.093 54.000 -0.024 0.000 0.911 528 D CB 0.665 41.453 40.800 -0.019 0.000 1.145 528 D HN 0.673 nan 8.370 nan 0.000 0.495 529 E N -0.339 119.866 120.200 0.008 0.000 2.393 529 E HA 0.527 4.868 4.350 -0.015 0.000 0.273 529 E C -1.483 175.144 176.600 0.046 0.000 0.918 529 E CA -0.760 55.664 56.400 0.039 0.000 0.773 529 E CB 2.119 31.868 29.700 0.082 0.000 1.275 529 E HN -0.220 nan 8.360 nan 0.000 0.451 530 T N 1.065 115.655 114.554 0.061 0.000 2.928 530 T HA 0.411 4.752 4.350 -0.015 0.000 0.296 530 T C -1.218 173.498 174.700 0.027 0.000 1.000 530 T CA -0.602 61.526 62.100 0.046 0.000 0.989 530 T CB 1.504 70.420 68.868 0.080 0.000 1.005 530 T HN 0.348 nan 8.240 nan 0.000 0.442 531 V N 4.058 123.968 119.914 -0.007 0.000 2.487 531 V HA 0.552 4.663 4.120 -0.015 0.000 0.298 531 V C -0.622 175.432 176.094 -0.067 0.000 1.028 531 V CA -0.866 61.399 62.300 -0.058 0.000 0.860 531 V CB 1.684 33.437 31.823 -0.117 0.000 0.991 531 V HN 0.721 nan 8.190 nan 0.000 0.427 532 L N 6.758 127.955 121.223 -0.043 0.000 2.295 532 L HA 0.739 5.070 4.340 -0.015 0.000 0.285 532 L C -0.528 176.262 176.870 -0.133 0.000 1.035 532 L CA 0.174 54.983 54.840 -0.051 0.000 0.806 532 L CB 1.665 43.765 42.059 0.068 0.000 1.214 532 L HN 0.446 nan 8.230 nan 0.000 0.426 533 V N 6.613 126.326 119.914 -0.335 0.000 2.540 533 V HA 0.527 4.639 4.120 -0.015 0.000 0.302 533 V C -0.153 175.808 176.094 -0.222 0.000 1.035 533 V CA -0.450 61.611 62.300 -0.398 0.000 0.873 533 V CB 1.690 32.995 31.823 -0.863 0.000 0.992 533 V HN 0.614 nan 8.190 nan 0.000 0.428 534 I N 5.716 126.277 120.570 -0.016 0.000 2.466 534 I HA 0.554 4.715 4.170 -0.015 0.000 0.289 534 I C -0.861 175.377 176.117 0.202 0.000 1.026 534 I CA -0.358 61.007 61.300 0.108 0.000 1.078 534 I CB 1.991 40.053 38.000 0.103 0.000 1.249 534 I HN 0.415 nan 8.210 nan 0.000 0.429 535 I N 5.091 125.841 120.570 0.300 0.000 2.466 535 I HA 0.267 4.428 4.170 -0.015 0.000 0.289 535 I C -0.413 175.892 176.117 0.314 0.000 1.026 535 I CA -0.622 60.903 61.300 0.374 0.000 1.078 535 I CB 2.030 40.355 38.000 0.542 0.000 1.249 535 I HN 0.488 nan 8.210 nan 0.000 0.429 536 N N 6.104 124.939 118.700 0.226 0.000 2.767 536 N HA 0.111 4.842 4.740 -0.015 0.000 0.238 536 N C -0.104 175.453 175.510 0.079 0.000 1.083 536 N CA -0.317 52.822 53.050 0.147 0.000 0.964 536 N CB 0.488 38.981 38.487 0.009 0.000 1.252 536 N HN 0.440 nan 8.380 nan 0.000 0.512 537 R N 2.627 123.200 120.500 0.121 0.000 4.164 537 R HA 0.133 4.464 4.340 -0.015 0.000 0.195 537 R C -0.892 175.211 176.300 -0.329 0.000 1.712 537 R CA 0.059 56.103 56.100 -0.093 0.000 1.457 537 R CB -0.746 29.475 30.300 -0.132 0.000 1.387 537 R HN 0.679 nan 8.270 nan 0.000 0.785 538 S N -0.400 114.907 115.700 -0.655 0.000 2.565 538 S HA 0.078 4.539 4.470 -0.015 0.000 0.269 538 S C -0.270 173.913 174.600 -0.695 0.000 1.153 538 S CA -0.932 56.953 58.200 -0.524 0.000 0.835 538 S CB 1.417 64.527 63.200 -0.150 0.000 1.122 538 S HN 0.359 nan 8.310 nan 0.000 0.462 539 D N 0.128 120.354 120.400 -0.290 0.000 2.323 539 D HA 0.155 4.786 4.640 -0.015 0.000 0.239 539 D C 0.197 176.486 176.300 -0.018 0.000 1.129 539 D CA 0.235 54.211 54.000 -0.040 0.000 0.865 539 D CB -0.155 40.725 40.800 0.134 0.000 0.913 539 D HN 0.578 nan 8.370 nan 0.000 0.517 540 Q N 0.291 120.060 119.800 -0.051 0.000 2.394 540 Q HA 0.268 4.599 4.340 -0.015 0.000 0.273 540 Q C -0.278 175.720 176.000 -0.005 0.000 1.089 540 Q CA -1.215 54.584 55.803 -0.006 0.000 0.812 540 Q CB 2.518 31.263 28.738 0.011 0.000 1.353 540 Q HN 0.183 nan 8.270 nan 0.000 0.438 541 K N -0.016 120.385 120.400 0.002 0.000 2.336 541 K HA 0.553 4.865 4.320 -0.015 0.000 0.262 541 K C -0.832 175.765 176.600 -0.004 0.000 0.992 541 K CA -0.221 56.061 56.287 -0.009 0.000 0.927 541 K CB 0.458 32.952 32.500 -0.010 0.000 0.956 541 K HN 0.514 nan 8.250 nan 0.000 0.495 542 A N 1.799 124.590 122.820 -0.047 0.000 2.520 542 A HA 0.329 4.640 4.320 -0.015 0.000 0.298 542 A C -1.815 175.683 177.584 -0.144 0.000 1.051 542 A CA -1.033 50.950 52.037 -0.090 0.000 0.690 542 A CB 1.617 20.487 19.000 -0.217 0.000 1.281 542 A HN 0.742 nan 8.150 nan 0.000 0.402 543 D N 2.073 122.408 120.400 -0.110 0.000 2.427 543 D HA 0.477 5.108 4.640 -0.015 0.000 0.226 543 D C -0.594 175.629 176.300 -0.128 0.000 1.076 543 D CA 0.382 54.328 54.000 -0.090 0.000 0.849 543 D CB 0.964 41.745 40.800 -0.032 0.000 1.052 543 D HN 0.430 nan 8.370 nan 0.000 0.515 544 I N 3.441 123.906 120.570 -0.175 0.000 2.330 544 I HA 0.252 4.413 4.170 -0.015 0.000 0.289 544 I C -2.284 173.816 176.117 -0.029 0.000 1.001 544 I CA -2.158 59.042 61.300 -0.166 0.000 1.193 544 I CB 1.759 39.583 38.000 -0.293 0.000 1.345 544 I HN -0.097 nan 8.210 nan 0.000 0.461 545 P HA 0.172 nan 4.420 nan 0.000 0.276 545 P C -0.456 176.881 177.300 0.063 0.000 1.243 545 P CA -0.179 62.947 63.100 0.043 0.000 0.768 545 P CB 0.369 32.104 31.700 0.058 0.000 0.856 546 I N 2.338 122.940 120.570 0.054 0.000 2.297 546 I HA 0.423 4.584 4.170 -0.015 0.000 0.291 546 I C -2.280 173.873 176.117 0.060 0.000 1.033 546 I CA -2.996 58.344 61.300 0.067 0.000 1.253 546 I CB 1.412 39.450 38.000 0.063 0.000 1.396 546 I HN 0.134 nan 8.210 nan 0.000 0.476 547 P HA 0.312 nan 4.420 nan 0.000 0.263 547 P C -1.029 176.309 177.300 0.064 0.000 1.601 547 P CA 0.194 63.338 63.100 0.072 0.000 1.161 547 P CB 0.309 32.066 31.700 0.095 0.000 1.730 548 L N 1.501 122.752 121.223 0.046 0.000 2.505 548 L HA 0.316 4.648 4.340 -0.015 0.000 0.259 548 L C 0.000 176.889 176.870 0.032 0.000 0.952 548 L CA -1.018 53.849 54.840 0.044 0.000 0.840 548 L CB 2.606 44.682 42.059 0.029 0.000 1.358 548 L HN 0.103 nan 8.230 nan 0.000 0.409 549 D N 1.563 121.991 120.400 0.046 0.000 2.443 549 D HA 0.284 4.915 4.640 -0.015 0.000 0.239 549 D C 0.438 176.751 176.300 0.022 0.000 1.136 549 D CA 0.340 54.364 54.000 0.041 0.000 0.879 549 D CB 1.682 42.519 40.800 0.061 0.000 1.195 549 D HN 0.614 nan 8.370 nan 0.000 0.443 550 A N 4.189 127.014 122.820 0.009 0.000 2.545 550 A HA 0.160 4.471 4.320 -0.015 0.000 0.277 550 A C 0.079 177.663 177.584 0.000 0.000 1.301 550 A CA -0.423 51.603 52.037 -0.018 0.000 0.935 550 A CB 0.031 19.011 19.000 -0.034 0.000 1.093 550 A HN 0.340 nan 8.150 nan 0.000 0.519 551 R N 0.045 120.569 120.500 0.040 0.000 2.205 551 R HA 0.394 4.725 4.340 -0.015 0.000 0.342 551 R C 0.972 177.345 176.300 0.122 0.000 1.058 551 R CA 0.184 56.326 56.100 0.070 0.000 0.904 551 R CB 0.042 30.385 30.300 0.072 0.000 1.089 551 R HN 0.755 nan 8.270 nan 0.000 0.471 552 G N 2.717 111.614 108.800 0.161 0.000 2.187 552 G HA2 -0.297 3.654 3.960 -0.015 0.000 0.261 552 G HA3 -0.297 3.654 3.960 -0.015 0.000 0.261 552 G C 0.023 175.152 174.900 0.383 0.000 1.000 552 G CA 0.731 46.020 45.100 0.315 0.000 0.718 552 G HN 0.508 nan 8.290 nan 0.000 0.519 553 T N 0.149 114.803 114.554 0.167 0.000 2.743 553 T HA 0.496 4.837 4.350 -0.015 0.000 0.293 553 T C -0.438 174.254 174.700 -0.012 0.000 0.945 553 T CA -0.017 62.114 62.100 0.052 0.000 1.030 553 T CB 0.832 69.653 68.868 -0.077 0.000 0.912 553 T HN 0.322 nan 8.240 nan 0.000 0.483 554 W N 3.030 124.286 121.300 -0.073 0.000 2.666 554 W HA 0.664 5.314 4.660 -0.016 0.000 0.334 554 W C -0.774 175.588 176.519 -0.262 0.000 1.051 554 W CA -0.901 56.386 57.345 -0.096 0.000 1.224 554 W CB 1.048 30.567 29.460 0.098 0.000 1.405 554 W HN 0.357 nan 8.180 nan 0.000 0.513 555 L N 3.092 124.101 121.223 -0.357 0.000 2.342 555 L HA 0.785 5.116 4.340 -0.015 0.000 0.271 555 L C -0.649 175.938 176.870 -0.472 0.000 1.008 555 L CA -1.456 53.047 54.840 -0.562 0.000 0.818 555 L CB 1.614 42.996 42.059 -1.128 0.000 1.296 555 L HN -0.019 nan 8.230 nan 0.000 0.427 556 V N 1.789 121.622 119.914 -0.135 0.000 2.443 556 V HA 0.230 4.342 4.120 -0.015 0.000 0.293 556 V C -0.084 176.109 176.094 0.165 0.000 1.021 556 V CA -0.765 61.551 62.300 0.027 0.000 0.848 556 V CB 1.649 33.524 31.823 0.086 0.000 0.998 556 V HN 0.706 nan 8.190 nan 0.000 0.424 557 N N 4.499 123.346 118.700 0.245 0.000 2.438 557 N HA 0.137 4.869 4.740 -0.015 0.000 0.267 557 N C 0.915 176.459 175.510 0.056 0.000 1.222 557 N CA 0.114 53.273 53.050 0.180 0.000 0.930 557 N CB 1.184 39.804 38.487 0.221 0.000 1.083 557 N HN 0.688 nan 8.380 nan 0.000 0.476 558 L N 3.586 124.784 121.223 -0.042 0.000 2.376 558 L HA -0.088 4.243 4.340 -0.015 0.000 0.219 558 L C 1.789 178.656 176.870 -0.006 0.000 1.133 558 L CA 0.666 55.471 54.840 -0.057 0.000 0.816 558 L CB -0.034 41.894 42.059 -0.217 0.000 0.933 558 L HN 0.559 nan 8.230 nan 0.000 0.449 559 L N -0.946 120.271 121.223 -0.011 0.000 2.253 559 L HA -0.026 4.306 4.340 -0.015 0.000 0.205 559 L C 2.504 179.392 176.870 0.029 0.000 1.078 559 L CA 1.329 56.177 54.840 0.014 0.000 0.805 559 L CB -0.358 41.702 42.059 0.001 0.000 0.963 559 L HN 0.332 nan 8.230 nan 0.000 0.459 560 T N -4.924 109.652 114.554 0.038 0.000 2.990 560 T HA 0.260 4.602 4.350 -0.015 0.000 0.249 560 T C 1.516 176.261 174.700 0.074 0.000 1.039 560 T CA 0.612 62.744 62.100 0.054 0.000 1.036 560 T CB 0.907 69.810 68.868 0.059 0.000 0.994 560 T HN 0.365 nan 8.240 nan 0.000 0.489 561 G N 1.606 110.460 108.800 0.089 0.000 2.199 561 G HA2 -0.286 3.665 3.960 -0.015 0.000 0.254 561 G HA3 -0.286 3.665 3.960 -0.015 0.000 0.254 561 G C -0.093 174.882 174.900 0.124 0.000 0.982 561 G CA 0.271 45.431 45.100 0.101 0.000 0.632 561 G HN 0.924 nan 8.290 nan 0.000 0.529 562 E N 1.010 121.302 120.200 0.153 0.000 2.415 562 E HA 0.356 4.697 4.350 -0.015 0.000 0.263 562 E C 0.489 177.232 176.600 0.239 0.000 0.995 562 E CA -0.167 56.356 56.400 0.205 0.000 0.915 562 E CB 0.261 30.109 29.700 0.246 0.000 0.951 562 E HN 0.481 nan 8.360 nan 0.000 0.449 563 R N 3.644 124.282 120.500 0.229 0.000 2.532 563 R HA 0.526 4.857 4.340 -0.015 0.000 0.295 563 R C -0.896 175.593 176.300 0.315 0.000 0.968 563 R CA -0.606 55.611 56.100 0.196 0.000 0.916 563 R CB 1.008 31.442 30.300 0.223 0.000 1.124 563 R HN 0.481 nan 8.270 nan 0.000 0.463 564 F N -1.159 118.885 119.950 0.157 0.000 2.719 564 F HA 0.727 5.246 4.527 -0.015 0.000 0.309 564 F C -1.529 174.043 175.800 -0.381 0.000 1.138 564 F CA -1.431 56.530 58.000 -0.065 0.000 0.943 564 F CB 0.924 39.869 39.000 -0.091 0.000 1.304 564 F HN 0.533 nan 8.300 nan 0.000 0.445 565 A N 1.281 123.763 122.820 -0.564 0.000 2.294 565 A HA 0.943 5.254 4.320 -0.015 0.000 0.330 565 A C -0.406 176.974 177.584 -0.340 0.000 1.133 565 A CA -0.307 51.133 52.037 -0.995 0.000 0.836 565 A CB 0.748 18.804 19.000 -1.574 0.000 1.190 565 A HN 1.683 nan 8.150 nan 0.000 0.492 566 A N 0.080 122.706 122.820 -0.324 0.000 2.269 566 A HA 0.740 5.051 4.320 -0.015 0.000 0.319 566 A C 0.596 178.094 177.584 -0.143 0.000 1.110 566 A CA 0.216 52.166 52.037 -0.145 0.000 0.847 566 A CB 0.568 19.497 19.000 -0.119 0.000 1.161 566 A HN 1.034 nan 8.150 nan 0.000 0.497 567 E N -0.070 120.077 120.200 -0.088 0.000 2.926 567 E HA 0.068 4.409 4.350 -0.015 0.000 0.232 567 E C 1.212 177.789 176.600 -0.040 0.000 1.095 567 E CA 0.640 57.000 56.400 -0.066 0.000 1.755 567 E CB -0.762 28.895 29.700 -0.071 0.000 2.411 567 E HN 0.768 nan 8.360 nan 0.000 1.046 568 A N 1.834 124.631 122.820 -0.038 0.000 2.277 568 A HA -0.082 4.229 4.320 -0.015 0.000 0.208 568 A C 1.254 178.830 177.584 -0.012 0.000 1.202 568 A CA 1.650 53.673 52.037 -0.024 0.000 0.762 568 A CB -1.073 17.912 19.000 -0.026 0.000 0.770 568 A HN 0.506 nan 8.150 nan 0.000 0.487 569 E N -2.946 117.247 120.200 -0.013 0.000 3.680 569 E HA -0.247 4.094 4.350 -0.015 0.000 0.309 569 E C 0.262 176.865 176.600 0.006 0.000 0.793 569 E CA 1.335 57.735 56.400 -0.000 0.000 1.083 569 E CB -1.362 28.343 29.700 0.007 0.000 1.548 569 E HN 0.648 nan 8.360 nan 0.000 0.456 570 T N 0.103 114.657 114.554 0.000 0.000 3.901 570 T HA 0.186 4.527 4.350 -0.015 0.000 0.222 570 T C -0.609 174.091 174.700 -0.000 0.000 0.853 570 T CA -0.442 61.664 62.100 0.009 0.000 1.576 570 T CB 0.087 68.967 68.868 0.020 0.000 0.787 570 T HN 0.255 nan 8.240 nan 0.000 0.612 571 L N 2.440 123.656 121.223 -0.012 0.000 2.529 571 L HA 0.287 4.618 4.340 -0.015 0.000 0.287 571 L C 0.501 177.364 176.870 -0.013 0.000 1.241 571 L CA 0.499 55.325 54.840 -0.023 0.000 0.857 571 L CB 0.375 42.420 42.059 -0.023 0.000 1.113 571 L HN 0.810 nan 8.230 nan 0.000 0.504 572 C N 5.155 124.438 119.300 -0.029 0.000 2.273 572 C HA 0.541 4.992 4.460 -0.015 0.000 0.328 572 C C 0.470 175.444 174.990 -0.025 0.000 1.275 572 C CA -0.457 58.548 59.018 -0.023 0.000 1.704 572 C CB 0.209 27.931 27.740 -0.030 0.000 2.326 572 C HN 0.904 nan 8.230 nan 0.000 0.517 573 T N 5.327 119.880 114.554 -0.002 0.000 2.749 573 T HA 0.339 4.680 4.350 -0.015 0.000 0.287 573 T C -0.092 174.588 174.700 -0.032 0.000 0.970 573 T CA 0.038 62.152 62.100 0.023 0.000 0.980 573 T CB 0.948 69.876 68.868 0.102 0.000 0.924 573 T HN 0.737 nan 8.240 nan 0.000 0.456 574 S N 3.973 119.650 115.700 -0.038 0.000 2.429 574 S HA 0.571 5.033 4.470 -0.015 0.000 0.302 574 S C -0.340 174.225 174.600 -0.059 0.000 1.115 574 S CA -0.728 57.437 58.200 -0.058 0.000 1.095 574 S CB 0.253 63.421 63.200 -0.053 0.000 0.987 574 S HN 0.471 nan 8.310 nan 0.000 0.474 575 L N 5.154 126.332 121.223 -0.075 0.000 2.370 575 L HA 0.611 4.942 4.340 -0.015 0.000 0.266 575 L C -2.190 174.647 176.870 -0.054 0.000 1.002 575 L CA -2.397 52.402 54.840 -0.068 0.000 0.818 575 L CB 2.399 44.419 42.059 -0.065 0.000 1.325 575 L HN 0.377 nan 8.230 nan 0.000 0.418 576 P HA 0.292 nan 4.420 nan 0.000 0.277 576 P C -2.755 174.545 177.300 0.001 0.000 1.271 576 P CA -2.045 61.044 63.100 -0.018 0.000 0.795 576 P CB -0.168 31.522 31.700 -0.017 0.000 1.101 577 P HA -0.051 nan 4.420 nan 0.000 0.262 577 P C -0.448 176.925 177.300 0.122 0.000 1.182 577 P CA 0.918 64.030 63.100 0.021 0.000 0.761 577 P CB -0.601 31.153 31.700 0.091 0.000 0.795 578 Y N -0.446 119.905 120.300 0.086 0.000 4.236 578 Y HA -0.245 4.296 4.550 -0.015 0.000 0.220 578 Y C 1.493 177.511 175.900 0.198 0.000 1.115 578 Y CA 1.190 59.366 58.100 0.126 0.000 1.811 578 Y CB -2.160 36.354 38.460 0.090 0.000 1.581 578 Y HN 0.476 nan 8.280 nan 0.000 0.643 579 G N -0.281 108.633 108.800 0.189 0.000 2.616 579 G HA2 0.528 4.479 3.960 -0.015 0.000 0.268 579 G HA3 0.528 4.479 3.960 -0.015 0.000 0.268 579 G C -0.570 174.468 174.900 0.230 0.000 1.213 579 G CA 0.085 45.245 45.100 0.099 0.000 0.926 579 G HN 0.452 nan 8.290 nan 0.000 0.523 580 F N -2.359 117.624 119.950 0.055 0.000 2.713 580 F HA 0.746 5.264 4.527 -0.015 0.000 0.311 580 F C -1.175 174.611 175.800 -0.022 0.000 1.141 580 F CA -1.510 56.519 58.000 0.049 0.000 0.939 580 F CB 1.626 40.689 39.000 0.105 0.000 1.325 580 F HN 0.653 nan 8.300 nan 0.000 0.453 581 V N 1.937 121.891 119.914 0.066 0.000 3.048 581 V HA 0.775 4.886 4.120 -0.015 0.000 0.303 581 V C -2.121 173.831 176.094 -0.236 0.000 1.214 581 V CA -0.779 61.410 62.300 -0.185 0.000 0.984 581 V CB 2.294 33.895 31.823 -0.370 0.000 1.054 581 V HN 0.835 nan 8.190 nan 0.000 0.430 582 L N 6.272 127.291 121.223 -0.341 0.000 2.385 582 L HA 0.678 5.009 4.340 -0.015 0.000 0.273 582 L C -1.251 175.376 176.870 -0.406 0.000 0.990 582 L CA -0.156 54.506 54.840 -0.297 0.000 0.821 582 L CB 1.904 43.864 42.059 -0.165 0.000 1.279 582 L HN 0.608 nan 8.230 nan 0.000 0.412 583 Y N 0.983 121.228 120.300 -0.090 0.000 2.425 583 Y HA 0.760 5.301 4.550 -0.014 0.000 0.344 583 Y C 0.184 176.001 175.900 -0.139 0.000 0.969 583 Y CA -1.192 56.846 58.100 -0.104 0.000 1.052 583 Y CB 2.174 40.584 38.460 -0.084 0.000 1.215 583 Y HN 0.653 nan 8.280 nan 0.000 0.451 584 A N 4.225 127.065 122.820 0.033 0.000 2.331 584 A HA 0.662 4.973 4.320 -0.015 0.000 0.283 584 A C -0.670 176.917 177.584 0.005 0.000 1.142 584 A CA -0.479 51.558 52.037 0.001 0.000 0.812 584 A CB 0.176 19.215 19.000 0.065 0.000 1.074 584 A HN 0.561 nan 8.150 nan 0.000 0.497 585 I N 1.493 122.051 120.570 -0.020 0.000 2.428 585 I HA 0.390 4.551 4.170 -0.015 0.000 0.296 585 I C 0.206 176.224 176.117 -0.165 0.000 0.985 585 I CA -0.206 61.024 61.300 -0.117 0.000 1.260 585 I CB 1.004 38.926 38.000 -0.129 0.000 1.389 585 I HN 0.706 nan 8.210 nan 0.000 0.484 586 E N 4.554 124.601 120.200 -0.255 0.000 2.218 586 E HA 0.392 4.734 4.350 -0.015 0.000 0.263 586 E C -1.330 174.981 176.600 -0.482 0.000 0.879 586 E CA -0.642 55.568 56.400 -0.317 0.000 0.762 586 E CB 1.599 31.278 29.700 -0.035 0.000 1.166 586 E HN 0.490 nan 8.360 nan 0.000 0.415 587 H N 2.095 120.927 119.070 -0.397 0.000 2.623 587 H HA 0.281 4.829 4.556 -0.014 0.000 0.299 587 H C -0.988 174.126 175.328 -0.356 0.000 1.052 587 H CA -0.443 55.468 56.048 -0.229 0.000 1.231 587 H CB 0.409 30.083 29.762 -0.147 0.000 1.389 587 H HN 0.379 nan 8.280 nan 0.000 0.469 588 W N 0.000 121.390 121.300 0.151 0.000 2.388 588 W HA 0.000 4.651 4.660 -0.015 0.000 0.303 588 W CA 0.000 57.395 57.345 0.084 0.000 1.226 588 W CB 0.000 29.467 29.460 0.012 0.000 1.126 588 W HN 0.000 nan 8.180 nan 0.000 0.535