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 1j0j_1_B 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 DVYILGQIWH 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 0.000 176.235 176.300 -0.109 0.000 1.140 1 M CA 0.000 55.259 55.300 -0.069 0.000 0.988 1 M CB 0.000 32.543 32.600 -0.095 0.000 1.302 2 R N 2.143 122.587 120.500 -0.094 0.000 2.204 2 R HA 0.348 4.683 4.340 -0.007 0.000 0.341 2 R C 0.312 176.506 176.300 -0.176 0.000 1.035 2 R CA -0.314 55.721 56.100 -0.108 0.000 0.887 2 R CB 0.823 31.097 30.300 -0.042 0.000 1.114 2 R HN 0.715 nan 8.270 nan 0.000 0.473 3 K N 1.630 121.839 120.400 -0.319 0.000 2.147 3 K HA -0.155 4.161 4.320 -0.007 0.000 0.205 3 K C 1.346 177.810 176.600 -0.226 0.000 1.049 3 K CA 1.293 57.249 56.287 -0.552 0.000 0.936 3 K CB 0.359 32.318 32.500 -0.901 0.000 0.722 3 K HN 0.490 nan 8.250 nan 0.000 0.446 4 E N 0.531 120.662 120.200 -0.115 0.000 2.338 4 E HA -0.143 4.203 4.350 -0.007 0.000 0.197 4 E C 1.439 178.070 176.600 0.051 0.000 1.007 4 E CA 1.136 57.531 56.400 -0.008 0.000 0.849 4 E CB -0.088 29.610 29.700 -0.003 0.000 0.774 4 E HN 0.302 nan 8.360 nan 0.000 0.506 5 A N 1.020 123.876 122.820 0.060 0.000 2.252 5 A HA 0.257 4.572 4.320 -0.007 0.000 0.213 5 A C 1.213 178.834 177.584 0.062 0.000 1.188 5 A CA -0.391 51.751 52.037 0.176 0.000 0.863 5 A CB 0.022 19.182 19.000 0.266 0.000 0.893 5 A HN 0.094 nan 8.150 nan 0.000 0.495 6 I N 0.270 120.838 120.570 -0.003 0.000 2.416 6 I HA 0.301 4.467 4.170 -0.007 0.000 0.288 6 I C -0.451 175.627 176.117 -0.064 0.000 1.051 6 I CA -0.005 61.235 61.300 -0.100 0.000 1.375 6 I CB 0.538 38.429 38.000 -0.182 0.000 1.407 6 I HN 0.339 nan 8.210 nan 0.000 0.516 7 Y N 6.401 126.567 120.300 -0.224 0.000 2.519 7 Y HA 0.523 5.069 4.550 -0.006 0.000 0.336 7 Y C -1.204 174.623 175.900 -0.123 0.000 1.089 7 Y CA -0.892 57.136 58.100 -0.121 0.000 1.025 7 Y CB 1.501 39.839 38.460 -0.203 0.000 1.318 7 Y HN 0.651 nan 8.280 nan 0.000 0.452 8 H N 3.959 122.399 119.070 -1.050 0.000 3.064 8 H HA 0.726 5.278 4.556 -0.007 0.000 0.352 8 H C -1.802 172.695 175.328 -1.386 0.000 1.260 8 H CA -0.817 54.488 56.048 -1.238 0.000 1.160 8 H CB 1.596 30.967 29.762 -0.651 0.000 1.879 8 H HN 0.799 nan 8.280 nan 0.000 0.544 9 R N 4.011 123.445 120.500 -1.777 0.000 2.572 9 R HA 0.247 4.583 4.340 -0.007 0.000 0.273 9 R C -2.940 172.962 176.300 -0.664 0.000 1.168 9 R CA -1.832 53.706 56.100 -0.937 0.000 1.021 9 R CB 1.687 31.679 30.300 -0.514 0.000 1.249 9 R HN 0.453 nan 8.270 nan 0.000 0.423 10 P HA -0.021 nan 4.420 nan 0.000 0.191 10 P C -1.233 176.189 177.300 0.203 0.000 1.337 10 P CA 0.771 63.960 63.100 0.148 0.000 0.945 10 P CB 0.101 31.964 31.700 0.272 0.000 1.664 11 A N -0.011 122.929 122.820 0.200 0.000 2.540 11 A HA 0.480 4.796 4.320 -0.007 0.000 0.291 11 A C -0.213 177.560 177.584 0.315 0.000 1.083 11 A CA -0.565 51.627 52.037 0.258 0.000 0.650 11 A CB 0.475 19.577 19.000 0.171 0.000 1.292 11 A HN 0.187 nan 8.150 nan 0.000 0.435 12 D N 0.425 120.996 120.400 0.285 0.000 3.852 12 D HA -0.314 4.321 4.640 -0.007 0.000 0.164 12 D C 1.057 177.524 176.300 0.278 0.000 0.807 12 D CA 2.001 56.148 54.000 0.246 0.000 0.906 12 D CB -0.665 40.265 40.800 0.218 0.000 0.424 12 D HN 0.967 nan 8.370 nan 0.000 0.365 13 N N 1.245 120.068 118.700 0.204 0.000 2.573 13 N HA -0.111 4.624 4.740 -0.007 0.000 0.187 13 N C 1.621 177.217 175.510 0.142 0.000 1.107 13 N CA 1.031 54.142 53.050 0.102 0.000 0.918 13 N CB -0.478 37.963 38.487 -0.076 0.000 0.966 13 N HN 0.384 nan 8.380 nan 0.000 0.448 14 F N 0.367 120.474 119.950 0.262 0.000 2.678 14 F HA 0.477 4.999 4.527 -0.008 0.000 0.291 14 F C 0.947 176.917 175.800 0.282 0.000 1.123 14 F CA 0.099 58.228 58.000 0.215 0.000 1.395 14 F CB 0.515 39.460 39.000 -0.093 0.000 1.121 14 F HN 0.099 nan 8.300 nan 0.000 0.592 15 A N 0.119 123.228 122.820 0.483 0.000 2.509 15 A HA 0.622 4.938 4.320 -0.007 0.000 0.282 15 A C -1.706 176.131 177.584 0.422 0.000 1.054 15 A CA -0.460 51.791 52.037 0.357 0.000 0.820 15 A CB 0.009 19.296 19.000 0.478 0.000 1.333 15 A HN 0.276 nan 8.150 nan 0.000 0.409 16 Y N -0.771 119.585 120.300 0.092 0.000 2.656 16 Y HA 0.814 5.360 4.550 -0.007 0.000 0.334 16 Y C -0.247 175.584 175.900 -0.115 0.000 1.179 16 Y CA -0.947 57.223 58.100 0.116 0.000 1.050 16 Y CB 0.843 39.401 38.460 0.163 0.000 1.308 16 Y HN 1.130 nan 8.280 nan 0.000 0.456 17 A N 1.266 124.181 122.820 0.159 0.000 2.328 17 A HA 0.417 4.733 4.320 -0.007 0.000 0.284 17 A C -0.665 177.009 177.584 0.149 0.000 1.160 17 A CA -0.394 51.660 52.037 0.028 0.000 0.818 17 A CB 0.062 19.171 19.000 0.182 0.000 1.087 17 A HN 0.979 nan 8.150 nan 0.000 0.504 18 Y N 1.783 121.973 120.300 -0.182 0.000 2.436 18 Y HA 0.168 4.713 4.550 -0.007 0.000 0.288 18 Y C 0.254 176.144 175.900 -0.016 0.000 1.112 18 Y CA 1.458 59.452 58.100 -0.177 0.000 1.220 18 Y CB 0.455 38.534 38.460 -0.634 0.000 1.073 18 Y HN 0.821 nan 8.280 nan 0.000 0.552 19 D N -2.977 117.417 120.400 -0.010 0.000 2.692 19 D HA 0.088 4.724 4.640 -0.007 0.000 0.303 19 D C 0.795 177.118 176.300 0.038 0.000 1.278 19 D CA 0.176 54.164 54.000 -0.019 0.000 0.852 19 D CB 0.384 41.190 40.800 0.010 0.000 1.375 19 D HN -0.060 nan 8.370 nan 0.000 0.453 20 S N -0.711 115.015 115.700 0.044 0.000 2.444 20 S HA -0.310 4.156 4.470 -0.007 0.000 0.244 20 S C 1.047 175.669 174.600 0.036 0.000 1.025 20 S CA 1.983 60.218 58.200 0.059 0.000 0.995 20 S CB -0.732 62.503 63.200 0.059 0.000 0.781 20 S HN 0.741 nan 8.310 nan 0.000 0.496 21 E N -0.852 119.361 120.200 0.022 0.000 2.500 21 E HA 0.154 4.500 4.350 -0.007 0.000 0.217 21 E C -0.218 176.365 176.600 -0.028 0.000 0.848 21 E CA -0.067 56.326 56.400 -0.012 0.000 1.217 21 E CB 0.098 29.793 29.700 -0.009 0.000 1.217 21 E HN 0.293 nan 8.360 nan 0.000 0.573 22 T N 2.197 116.757 114.554 0.010 0.000 2.909 22 T HA 0.514 4.860 4.350 -0.007 0.000 0.286 22 T C -0.594 174.061 174.700 -0.074 0.000 1.002 22 T CA -0.486 61.616 62.100 0.003 0.000 1.074 22 T CB 1.823 70.762 68.868 0.119 0.000 0.984 22 T HN 0.166 nan 8.240 nan 0.000 0.495 23 L N 2.744 123.875 121.223 -0.153 0.000 2.386 23 L HA 0.520 4.855 4.340 -0.007 0.000 0.271 23 L C -0.934 175.767 176.870 -0.282 0.000 0.993 23 L CA -0.771 53.860 54.840 -0.347 0.000 0.819 23 L CB 1.500 43.265 42.059 -0.490 0.000 1.294 23 L HN 0.758 nan 8.230 nan 0.000 0.414 24 H N 5.260 123.919 119.070 -0.685 0.000 2.472 24 H HA 0.601 5.153 4.556 -0.007 0.000 0.338 24 H C -1.010 173.922 175.328 -0.660 0.000 1.133 24 H CA -0.931 54.672 56.048 -0.742 0.000 1.216 24 H CB 2.160 31.453 29.762 -0.782 0.000 1.497 24 H HN 0.405 nan 8.280 nan 0.000 0.500 25 L N 3.029 123.996 121.223 -0.425 0.000 2.401 25 L HA 0.548 4.883 4.340 -0.007 0.000 0.266 25 L C -0.382 176.521 176.870 0.055 0.000 0.991 25 L CA -0.722 54.036 54.840 -0.137 0.000 0.818 25 L CB 2.484 44.400 42.059 -0.239 0.000 1.321 25 L HN 0.516 nan 8.230 nan 0.000 0.413 26 R N 2.024 122.736 120.500 0.353 0.000 2.854 26 R HA 0.829 5.165 4.340 -0.007 0.000 0.271 26 R C -1.712 174.903 176.300 0.524 0.000 0.994 26 R CA -1.024 55.337 56.100 0.436 0.000 0.945 26 R CB 2.951 33.480 30.300 0.382 0.000 1.194 26 R HN 0.327 nan 8.270 nan 0.000 0.476 27 L N 1.401 122.870 121.223 0.411 0.000 2.493 27 L HA 0.476 4.812 4.340 -0.007 0.000 0.265 27 L C -1.300 175.807 176.870 0.394 0.000 0.954 27 L CA -0.479 54.478 54.840 0.195 0.000 0.844 27 L CB 1.821 43.631 42.059 -0.416 0.000 1.302 27 L HN 0.711 nan 8.230 nan 0.000 0.405 28 R N 1.821 122.506 120.500 0.309 0.000 2.778 28 R HA 0.977 5.312 4.340 -0.007 0.000 0.277 28 R C -1.125 175.198 176.300 0.039 0.000 0.977 28 R CA -0.132 56.032 56.100 0.106 0.000 0.950 28 R CB 1.955 32.135 30.300 -0.201 0.000 1.165 28 R HN 0.695 nan 8.270 nan 0.000 0.474 29 T N -1.550 113.079 114.554 0.126 0.000 2.841 29 T HA 0.322 4.668 4.350 -0.007 0.000 0.296 29 T C -0.697 174.190 174.700 0.311 0.000 1.166 29 T CA -1.209 60.999 62.100 0.180 0.000 1.007 29 T CB 1.402 70.398 68.868 0.213 0.000 1.253 29 T HN 0.695 nan 8.240 nan 0.000 0.511 30 K N 1.069 121.632 120.400 0.272 0.000 2.485 30 K HA 0.079 4.395 4.320 -0.007 0.000 0.277 30 K C 0.222 176.909 176.600 0.145 0.000 0.990 30 K CA -0.297 56.121 56.287 0.218 0.000 0.994 30 K CB 0.416 32.980 32.500 0.107 0.000 0.906 30 K HN 0.664 nan 8.250 nan 0.000 0.488 31 K N 3.088 123.521 120.400 0.055 0.000 2.484 31 K HA -0.140 4.175 4.320 -0.007 0.000 0.280 31 K C -0.517 176.120 176.600 0.061 0.000 1.013 31 K CA 0.724 57.036 56.287 0.041 0.000 1.029 31 K CB 0.248 32.735 32.500 -0.021 0.000 0.902 31 K HN 0.718 nan 8.250 nan 0.000 0.481 32 D N 2.346 122.799 120.400 0.088 0.000 3.039 32 D HA -0.228 4.408 4.640 -0.007 0.000 0.222 32 D C 0.193 176.555 176.300 0.102 0.000 1.179 32 D CA 1.558 55.613 54.000 0.092 0.000 0.880 32 D CB -0.658 40.173 40.800 0.052 0.000 1.115 32 D HN 0.763 nan 8.370 nan 0.000 0.416 33 D N -1.072 119.402 120.400 0.123 0.000 2.327 33 D HA 0.034 4.670 4.640 -0.007 0.000 0.205 33 D C 0.502 176.865 176.300 0.105 0.000 0.989 33 D CA 0.460 54.516 54.000 0.093 0.000 0.873 33 D CB 0.480 41.324 40.800 0.073 0.000 0.955 33 D HN 0.143 nan 8.370 nan 0.000 0.515 34 I N 0.742 121.417 120.570 0.175 0.000 2.569 34 I HA 0.206 4.371 4.170 -0.007 0.000 0.296 34 I C 0.504 176.773 176.117 0.253 0.000 1.028 34 I CA -0.584 60.800 61.300 0.141 0.000 1.082 34 I CB 1.921 39.927 38.000 0.011 0.000 1.264 34 I HN -0.156 nan 8.210 nan 0.000 0.429 35 D N 3.823 124.332 120.400 0.183 0.000 2.269 35 D HA 0.078 4.714 4.640 -0.007 0.000 0.220 35 D C 0.504 176.987 176.300 0.305 0.000 0.962 35 D CA 0.973 55.114 54.000 0.235 0.000 0.884 35 D CB 0.739 41.629 40.800 0.150 0.000 1.023 35 D HN 0.551 nan 8.370 nan 0.000 0.484 36 R N -0.418 120.156 120.500 0.123 0.000 2.740 36 R HA 0.706 5.042 4.340 -0.007 0.000 0.273 36 R C -1.398 174.810 176.300 -0.154 0.000 0.998 36 R CA -0.827 55.310 56.100 0.062 0.000 0.900 36 R CB 2.112 32.467 30.300 0.092 0.000 1.223 36 R HN -0.255 nan 8.270 nan 0.000 0.466 37 V N 1.318 121.074 119.914 -0.264 0.000 2.638 37 V HA 0.356 4.472 4.120 -0.007 0.000 0.306 37 V C -0.702 175.437 176.094 0.075 0.000 1.052 37 V CA -0.743 61.425 62.300 -0.220 0.000 0.885 37 V CB 2.105 33.503 31.823 -0.708 0.000 0.999 37 V HN 0.754 nan 8.190 nan 0.000 0.424 38 E N 3.208 123.522 120.200 0.190 0.000 2.187 38 E HA 0.457 4.803 4.350 -0.007 0.000 0.268 38 E C -1.159 175.574 176.600 0.221 0.000 0.896 38 E CA -0.984 55.542 56.400 0.210 0.000 0.766 38 E CB 2.737 32.585 29.700 0.245 0.000 1.142 38 E HN 0.486 nan 8.360 nan 0.000 0.408 39 L N 4.438 125.777 121.223 0.193 0.000 2.313 39 L HA 0.243 4.578 4.340 -0.007 0.000 0.282 39 L C -0.992 175.964 176.870 0.143 0.000 1.092 39 L CA 0.070 54.990 54.840 0.134 0.000 0.831 39 L CB 0.404 42.503 42.059 0.066 0.000 1.159 39 L HN 0.546 nan 8.230 nan 0.000 0.442 40 L N 6.901 128.147 121.223 0.039 0.000 2.268 40 L HA 0.472 4.808 4.340 -0.007 0.000 0.289 40 L C -0.862 176.028 176.870 0.034 0.000 1.064 40 L CA -0.342 54.497 54.840 -0.002 0.000 0.824 40 L CB -0.070 41.906 42.059 -0.139 0.000 1.202 40 L HN 0.952 nan 8.230 nan 0.000 0.433 41 H N 2.487 121.537 119.070 -0.034 0.000 2.821 41 H HA 0.970 5.521 4.556 -0.007 0.000 0.373 41 H C -0.605 174.677 175.328 -0.078 0.000 1.165 41 H CA -0.580 55.477 56.048 0.014 0.000 1.154 41 H CB 2.080 31.834 29.762 -0.014 0.000 1.765 41 H HN 0.619 nan 8.280 nan 0.000 0.549 42 G N 0.742 109.617 108.800 0.126 0.000 2.579 42 G HA2 0.196 4.152 3.960 -0.007 0.000 0.292 42 G HA3 0.196 4.152 3.960 -0.007 0.000 0.292 42 G C -1.811 173.326 174.900 0.395 0.000 1.484 42 G CA -0.953 44.136 45.100 -0.019 0.000 0.813 42 G HN 0.824 nan 8.290 nan 0.000 0.515 43 D N 0.869 121.465 120.400 0.326 0.000 2.414 43 D HA 0.192 4.827 4.640 -0.007 0.000 0.242 43 D C -1.250 175.395 176.300 0.574 0.000 1.129 43 D CA -1.306 52.950 54.000 0.427 0.000 0.885 43 D CB 2.230 43.286 40.800 0.426 0.000 1.198 43 D HN -0.051 nan 8.370 nan 0.000 0.437 44 P HA -0.102 nan 4.420 nan 0.000 0.220 44 P C 0.016 177.333 177.300 0.028 0.000 1.148 44 P CA 1.220 64.331 63.100 0.019 0.000 0.803 44 P CB 0.017 31.550 31.700 -0.279 0.000 0.782 45 Y N -2.051 118.494 120.300 0.407 0.000 2.607 45 Y HA 0.243 4.789 4.550 -0.007 0.000 0.266 45 Y C 0.495 176.720 175.900 0.542 0.000 1.178 45 Y CA -0.830 57.537 58.100 0.445 0.000 1.226 45 Y CB -0.369 38.212 38.460 0.201 0.000 1.144 45 Y HN -0.153 nan 8.280 nan 0.000 0.528 46 D N 0.550 121.294 120.400 0.573 0.000 2.393 46 D HA 0.133 4.768 4.640 -0.007 0.000 0.232 46 D C -1.153 175.270 176.300 0.204 0.000 1.192 46 D CA -0.041 54.160 54.000 0.335 0.000 0.882 46 D CB 0.018 40.919 40.800 0.170 0.000 1.038 46 D HN 0.068 nan 8.370 nan 0.000 0.499 47 W N 2.316 123.713 121.300 0.161 0.000 2.962 47 W HA 0.402 5.058 4.660 -0.007 0.000 0.341 47 W C 0.777 177.345 176.519 0.081 0.000 1.155 47 W CA -0.540 56.889 57.345 0.140 0.000 1.165 47 W CB 1.617 31.165 29.460 0.146 0.000 1.435 47 W HN 0.205 nan 8.180 nan 0.000 0.546 48 Q N 0.154 120.129 119.800 0.291 0.000 2.013 48 Q HA 0.218 4.553 4.340 -0.007 0.000 0.158 48 Q C 1.191 177.304 176.000 0.188 0.000 0.517 48 Q CA 0.477 56.384 55.803 0.173 0.000 0.753 48 Q CB 0.035 28.816 28.738 0.071 0.000 1.005 48 Q HN 0.392 nan 8.270 nan 0.000 0.393 49 N N -0.644 118.155 118.700 0.164 0.000 2.226 49 N HA 0.148 4.883 4.740 -0.007 0.000 0.250 49 N C 0.730 176.389 175.510 0.248 0.000 1.276 49 N CA 0.957 54.100 53.050 0.155 0.000 0.924 49 N CB -0.739 37.810 38.487 0.104 0.000 1.162 49 N HN 0.334 nan 8.380 nan 0.000 0.416 50 G N -1.011 107.932 108.800 0.239 0.000 3.575 50 G HA2 0.501 4.456 3.960 -0.007 0.000 0.273 50 G HA3 0.501 4.456 3.960 -0.007 0.000 0.273 50 G C -0.354 174.794 174.900 0.413 0.000 1.053 50 G CA -0.067 45.229 45.100 0.327 0.000 0.803 50 G HN 0.587 nan 8.290 nan 0.000 0.528 51 A N 0.025 123.017 122.820 0.288 0.000 2.337 51 A HA 0.623 4.939 4.320 -0.007 0.000 0.329 51 A C -1.290 176.123 177.584 -0.285 0.000 1.146 51 A CA -0.889 51.191 52.037 0.070 0.000 0.800 51 A CB 1.342 20.365 19.000 0.039 0.000 1.220 51 A HN 0.308 nan 8.150 nan 0.000 0.472 52 W N 2.632 123.437 121.300 -0.825 0.000 2.316 52 W HA 0.470 5.126 4.660 -0.007 0.000 0.311 52 W C -0.599 175.645 176.519 -0.458 0.000 1.217 52 W CA -0.574 56.025 57.345 -1.242 0.000 1.199 52 W CB 1.066 29.845 29.460 -1.135 0.000 1.202 52 W HN 0.560 nan 8.180 nan 0.000 0.528 53 Q N 7.688 127.016 119.800 -0.787 0.000 2.369 53 Q HA 0.192 4.527 4.340 -0.007 0.000 0.247 53 Q C -0.765 174.648 176.000 -0.979 0.000 1.083 53 Q CA -0.156 55.225 55.803 -0.702 0.000 0.905 53 Q CB -0.480 28.023 28.738 -0.392 0.000 1.305 53 Q HN 0.472 nan 8.270 nan 0.000 0.465 54 F N -0.593 118.703 119.950 -1.090 0.000 2.618 54 F HA 0.713 5.236 4.527 -0.007 0.000 0.332 54 F C -0.321 175.062 175.800 -0.696 0.000 1.061 54 F CA -1.327 56.013 58.000 -1.100 0.000 0.974 54 F CB 1.384 39.511 39.000 -1.455 0.000 1.310 54 F HN 0.182 nan 8.300 nan 0.000 0.491 55 Q N 1.476 120.891 119.800 -0.642 0.000 2.433 55 Q HA 0.595 4.931 4.340 -0.007 0.000 0.279 55 Q C -1.139 174.630 176.000 -0.385 0.000 1.105 55 Q CA -1.279 54.174 55.803 -0.583 0.000 0.815 55 Q CB 2.883 31.258 28.738 -0.604 0.000 1.403 55 Q HN 0.530 nan 8.270 nan 0.000 0.435 56 M N 1.925 121.424 119.600 -0.169 0.000 2.404 56 M HA 0.544 5.020 4.480 -0.007 0.000 0.338 56 M C -0.825 175.517 176.300 0.071 0.000 1.150 56 M CA -0.238 55.072 55.300 0.016 0.000 1.016 56 M CB 1.592 34.230 32.600 0.063 0.000 1.672 56 M HN 0.711 nan 8.290 nan 0.000 0.448 57 M N 3.734 123.426 119.600 0.154 0.000 2.446 57 M HA 0.562 5.037 4.480 -0.007 0.000 0.294 57 M C -2.713 173.656 176.300 0.115 0.000 1.158 57 M CA -1.476 53.906 55.300 0.137 0.000 0.899 57 M CB 3.438 36.131 32.600 0.155 0.000 1.687 57 M HN 0.241 nan 8.290 nan 0.000 0.455 58 P HA 0.379 nan 4.420 nan 0.000 0.282 58 P C -1.304 176.080 177.300 0.141 0.000 1.249 58 P CA -0.189 62.980 63.100 0.115 0.000 0.806 58 P CB 0.794 32.550 31.700 0.093 0.000 0.984 59 M N 2.590 122.320 119.600 0.216 0.000 2.294 59 M HA 0.396 4.872 4.480 -0.007 0.000 0.335 59 M C 0.526 177.094 176.300 0.446 0.000 1.079 59 M CA -0.640 54.838 55.300 0.297 0.000 0.982 59 M CB 1.907 34.717 32.600 0.351 0.000 1.651 59 M HN 0.249 nan 8.290 nan 0.000 0.437 60 R N 2.077 122.792 120.500 0.357 0.000 2.368 60 R HA 0.436 4.772 4.340 -0.007 0.000 0.302 60 R C -0.676 175.710 176.300 0.144 0.000 1.002 60 R CA -0.885 55.379 56.100 0.273 0.000 0.929 60 R CB 1.451 31.853 30.300 0.170 0.000 1.073 60 R HN 0.593 nan 8.270 nan 0.000 0.464 61 K N 2.361 122.659 120.400 -0.171 0.000 2.395 61 K HA -0.012 4.304 4.320 -0.007 0.000 0.283 61 K C 0.286 176.779 176.600 -0.178 0.000 1.068 61 K CA 0.365 56.322 56.287 -0.551 0.000 1.039 61 K CB 0.614 32.676 32.500 -0.730 0.000 0.924 61 K HN 0.833 nan 8.250 nan 0.000 0.468 62 T N 0.727 115.241 114.554 -0.066 0.000 3.107 62 T HA 0.294 4.640 4.350 -0.007 0.000 0.249 62 T C 0.751 175.529 174.700 0.130 0.000 1.096 62 T CA -0.022 62.113 62.100 0.059 0.000 1.012 62 T CB 0.313 69.275 68.868 0.156 0.000 0.977 62 T HN 0.706 nan 8.240 nan 0.000 0.527 63 G N 0.539 109.372 108.800 0.056 0.000 2.368 63 G HA2 0.417 4.372 3.960 -0.007 0.000 0.302 63 G HA3 0.417 4.372 3.960 -0.007 0.000 0.302 63 G C -1.327 173.616 174.900 0.070 0.000 1.329 63 G CA -0.453 44.729 45.100 0.136 0.000 0.935 63 G HN 1.037 nan 8.290 nan 0.000 0.590 64 S N -0.740 115.048 115.700 0.145 0.000 2.547 64 S HA 0.752 5.218 4.470 -0.007 0.000 0.270 64 S C -0.647 174.057 174.600 0.173 0.000 1.150 64 S CA 0.066 58.356 58.200 0.152 0.000 0.850 64 S CB 2.285 65.510 63.200 0.041 0.000 1.118 64 S HN 1.385 nan 8.310 nan 0.000 0.461 65 D N 0.806 121.343 120.400 0.227 0.000 2.466 65 D HA 0.409 5.045 4.640 -0.007 0.000 0.271 65 D C 1.083 177.388 176.300 0.008 0.000 1.193 65 D CA -0.399 53.692 54.000 0.152 0.000 1.103 65 D CB -0.276 40.719 40.800 0.326 0.000 1.184 65 D HN 0.481 nan 8.370 nan 0.000 0.593 66 E N -1.299 118.866 120.200 -0.058 0.000 2.106 66 E HA -0.004 4.341 4.350 -0.007 0.000 0.192 66 E C 1.621 178.104 176.600 -0.195 0.000 0.984 66 E CA 1.319 57.641 56.400 -0.131 0.000 0.806 66 E CB -0.136 29.467 29.700 -0.162 0.000 0.750 66 E HN 0.528 nan 8.360 nan 0.000 0.458 67 L N -1.736 119.297 121.223 -0.316 0.000 2.685 67 L HA 0.290 4.626 4.340 -0.007 0.000 0.235 67 L C -0.165 176.286 176.870 -0.698 0.000 1.070 67 L CA -0.314 54.156 54.840 -0.617 0.000 0.888 67 L CB 0.394 41.822 42.059 -1.051 0.000 1.203 67 L HN -0.055 nan 8.230 nan 0.000 0.499 68 F N -1.043 118.859 119.950 -0.081 0.000 2.618 68 F HA 0.498 5.020 4.527 -0.008 0.000 0.332 68 F C -0.200 175.435 175.800 -0.276 0.000 1.061 68 F CA -1.197 56.683 58.000 -0.200 0.000 0.974 68 F CB 0.790 39.564 39.000 -0.377 0.000 1.310 68 F HN -0.285 nan 8.300 nan 0.000 0.491 69 D N -0.276 120.098 120.400 -0.044 0.000 2.198 69 D HA 0.349 4.984 4.640 -0.007 0.000 0.247 69 D C -1.440 174.641 176.300 -0.365 0.000 1.010 69 D CA -0.153 53.753 54.000 -0.157 0.000 0.880 69 D CB 1.595 42.388 40.800 -0.011 0.000 1.209 69 D HN 0.299 nan 8.370 nan 0.000 0.451 70 Y N 0.246 120.343 120.300 -0.337 0.000 2.376 70 Y HA 0.393 4.939 4.550 -0.007 0.000 0.340 70 Y C -0.549 175.136 175.900 -0.358 0.000 0.965 70 Y CA -0.864 57.071 58.100 -0.276 0.000 1.078 70 Y CB 1.242 39.291 38.460 -0.684 0.000 1.193 70 Y HN 0.239 nan 8.280 nan 0.000 0.452 71 W N 3.844 125.279 121.300 0.224 0.000 2.639 71 W HA 0.634 5.290 4.660 -0.008 0.000 0.347 71 W C -1.053 175.644 176.519 0.298 0.000 1.067 71 W CA -0.968 56.507 57.345 0.216 0.000 1.218 71 W CB 1.137 30.677 29.460 0.134 0.000 1.393 71 W HN 0.323 nan 8.180 nan 0.000 0.557 72 F N 1.331 121.453 119.950 0.286 0.000 2.588 72 F HA 0.837 5.360 4.527 -0.007 0.000 0.314 72 F C -0.845 175.012 175.800 0.095 0.000 1.069 72 F CA -1.368 56.720 58.000 0.146 0.000 0.931 72 F CB 1.553 40.581 39.000 0.046 0.000 1.260 72 F HN 0.448 nan 8.300 nan 0.000 0.465 73 A N 3.963 126.184 122.820 -0.998 0.000 2.513 73 A HA 0.511 4.827 4.320 -0.007 0.000 0.296 73 A C -1.690 175.233 177.584 -1.103 0.000 1.052 73 A CA -0.635 50.961 52.037 -0.735 0.000 0.714 73 A CB 1.314 20.121 19.000 -0.322 0.000 1.279 73 A HN 0.796 nan 8.150 nan 0.000 0.397 74 E N 2.094 121.847 120.200 -0.745 0.000 2.158 74 E HA 0.645 4.991 4.350 -0.007 0.000 0.271 74 E C -1.541 174.859 176.600 -0.333 0.000 0.911 74 E CA -0.507 55.586 56.400 -0.513 0.000 0.767 74 E CB 1.504 31.037 29.700 -0.278 0.000 1.120 74 E HN 0.448 nan 8.360 nan 0.000 0.405 75 V N 4.569 124.295 119.914 -0.313 0.000 2.686 75 V HA 0.330 4.445 4.120 -0.007 0.000 0.306 75 V C -0.644 175.321 176.094 -0.215 0.000 1.065 75 V CA -0.986 61.124 62.300 -0.317 0.000 0.894 75 V CB 1.970 33.501 31.823 -0.486 0.000 1.004 75 V HN 0.666 nan 8.190 nan 0.000 0.424 76 K N 4.374 124.678 120.400 -0.159 0.000 2.357 76 K HA 0.432 4.748 4.320 -0.007 0.000 0.251 76 K C -2.699 173.834 176.600 -0.110 0.000 1.069 76 K CA -1.574 54.646 56.287 -0.112 0.000 0.994 76 K CB 1.248 33.703 32.500 -0.074 0.000 1.411 76 K HN 0.415 nan 8.250 nan 0.000 0.450 77 P HA -0.033 nan 4.420 nan 0.000 0.264 77 P C -1.671 175.566 177.300 -0.105 0.000 1.193 77 P CA -0.978 62.084 63.100 -0.063 0.000 0.763 77 P CB 0.348 32.028 31.700 -0.034 0.000 0.810 78 P HA -0.192 nan 4.420 nan 0.000 0.215 78 P C 0.181 177.162 177.300 -0.533 0.000 1.157 78 P CA 2.013 64.877 63.100 -0.393 0.000 0.874 78 P CB -0.123 31.285 31.700 -0.487 0.000 0.790 79 Y N -1.668 118.632 120.300 0.001 0.000 2.720 79 Y HA 0.426 4.972 4.550 -0.007 0.000 0.268 79 Y C 0.889 176.703 175.900 -0.143 0.000 1.142 79 Y CA -0.576 57.516 58.100 -0.014 0.000 1.193 79 Y CB 0.030 38.524 38.460 0.057 0.000 1.176 79 Y HN -0.183 nan 8.280 nan 0.000 0.542 80 R N 0.050 120.476 120.500 -0.123 0.000 3.878 80 R HA -0.194 4.142 4.340 -0.007 0.000 0.330 80 R C -0.556 175.532 176.300 -0.354 0.000 1.186 80 R CA 0.739 56.619 56.100 -0.367 0.000 0.885 80 R CB -1.517 28.314 30.300 -0.782 0.000 1.377 80 R HN 0.392 nan 8.270 nan 0.000 0.523 81 R N 0.144 120.635 120.500 -0.015 0.000 2.750 81 R HA 0.701 5.037 4.340 -0.007 0.000 0.281 81 R C -1.094 175.355 176.300 0.248 0.000 0.972 81 R CA -1.013 55.186 56.100 0.165 0.000 0.912 81 R CB 1.878 32.362 30.300 0.306 0.000 1.187 81 R HN -0.032 nan 8.270 nan 0.000 0.464 82 L N 1.077 122.487 121.223 0.312 0.000 2.513 82 L HA 0.490 4.825 4.340 -0.007 0.000 0.261 82 L C -1.497 175.619 176.870 0.409 0.000 0.945 82 L CA -0.475 54.582 54.840 0.361 0.000 0.848 82 L CB 2.094 44.343 42.059 0.317 0.000 1.334 82 L HN 0.471 nan 8.230 nan 0.000 0.407 83 R N 3.446 124.189 120.500 0.406 0.000 2.534 83 R HA 0.696 5.032 4.340 -0.007 0.000 0.301 83 R C -1.694 174.830 176.300 0.373 0.000 0.961 83 R CA -0.532 55.690 56.100 0.203 0.000 0.871 83 R CB 1.881 32.070 30.300 -0.185 0.000 1.170 83 R HN 0.703 nan 8.270 nan 0.000 0.446 84 Y N -1.724 118.653 120.300 0.129 0.000 2.638 84 Y HA 0.821 5.367 4.550 -0.007 0.000 0.335 84 Y C -0.387 175.525 175.900 0.021 0.000 1.155 84 Y CA -1.215 56.903 58.100 0.030 0.000 1.046 84 Y CB 1.311 39.728 38.460 -0.072 0.000 1.303 84 Y HN 0.638 nan 8.280 nan 0.000 0.460 85 G N 0.269 109.058 108.800 -0.019 0.000 2.921 85 G HA2 0.718 4.673 3.960 -0.007 0.000 0.291 85 G HA3 0.718 4.673 3.960 -0.007 0.000 0.291 85 G C -2.427 172.201 174.900 -0.454 0.000 1.370 85 G CA -1.141 43.913 45.100 -0.076 0.000 0.847 85 G HN 0.480 nan 8.290 nan 0.000 0.532 86 F N -0.621 119.459 119.950 0.216 0.000 2.561 86 F HA 0.542 5.065 4.527 -0.007 0.000 0.313 86 F C -0.203 175.661 175.800 0.106 0.000 1.126 86 F CA -0.867 57.232 58.000 0.165 0.000 0.918 86 F CB 2.729 41.850 39.000 0.203 0.000 1.199 86 F HN 0.227 nan 8.300 nan 0.000 0.444 87 V N 4.735 124.779 119.914 0.218 0.000 2.328 87 V HA 0.430 4.545 4.120 -0.007 0.000 0.278 87 V C -0.571 175.485 176.094 -0.063 0.000 1.021 87 V CA -0.570 61.745 62.300 0.026 0.000 0.838 87 V CB 1.160 32.992 31.823 0.016 0.000 0.999 87 V HN 0.458 nan 8.190 nan 0.000 0.447 88 L N 6.341 127.470 121.223 -0.156 0.000 2.282 88 L HA 0.560 4.896 4.340 -0.007 0.000 0.288 88 L C -0.645 176.063 176.870 -0.270 0.000 1.033 88 L CA -0.080 54.662 54.840 -0.164 0.000 0.807 88 L CB 0.823 42.818 42.059 -0.107 0.000 1.209 88 L HN 0.462 nan 8.230 nan 0.000 0.423 89 Y N 0.827 121.094 120.300 -0.055 0.000 2.409 89 Y HA 0.633 5.179 4.550 -0.007 0.000 0.339 89 Y C 0.393 176.286 175.900 -0.012 0.000 1.033 89 Y CA -0.683 57.408 58.100 -0.015 0.000 1.094 89 Y CB 2.299 40.759 38.460 0.001 0.000 1.210 89 Y HN 0.483 nan 8.280 nan 0.000 0.456 90 S N 1.712 117.511 115.700 0.165 0.000 2.496 90 S HA 0.480 4.946 4.470 -0.007 0.000 0.221 90 S C 0.169 174.832 174.600 0.107 0.000 1.260 90 S CA -0.053 58.213 58.200 0.109 0.000 1.181 90 S CB -0.311 62.926 63.200 0.061 0.000 1.136 90 S HN 1.314 nan 8.310 nan 0.000 0.467 91 G N 3.270 112.134 108.800 0.106 0.000 2.246 91 G HA2 -0.179 3.776 3.960 -0.007 0.000 0.273 91 G HA3 -0.179 3.776 3.960 -0.007 0.000 0.273 91 G C 0.052 175.013 174.900 0.103 0.000 1.055 91 G CA 0.271 45.421 45.100 0.084 0.000 0.851 91 G HN 0.988 nan 8.290 nan 0.000 0.500 92 E N -1.272 119.019 120.200 0.153 0.000 2.416 92 E HA -0.163 4.183 4.350 -0.007 0.000 0.249 92 E C 0.016 176.749 176.600 0.222 0.000 1.124 92 E CA 1.521 58.049 56.400 0.214 0.000 0.732 92 E CB -1.265 28.503 29.700 0.113 0.000 1.286 92 E HN 0.796 nan 8.360 nan 0.000 0.394 93 E N 0.765 121.082 120.200 0.194 0.000 2.114 93 E HA 0.289 4.634 4.350 -0.007 0.000 0.266 93 E C 0.304 176.923 176.600 0.032 0.000 0.896 93 E CA -0.483 55.983 56.400 0.111 0.000 0.750 93 E CB 1.156 30.902 29.700 0.076 0.000 1.121 93 E HN 0.097 nan 8.360 nan 0.000 0.413 94 K N 1.882 122.274 120.400 -0.014 0.000 2.219 94 K HA 0.405 4.721 4.320 -0.007 0.000 0.258 94 K C -0.225 176.299 176.600 -0.127 0.000 1.008 94 K CA -0.411 55.752 56.287 -0.207 0.000 0.928 94 K CB 0.861 33.282 32.500 -0.130 0.000 0.983 94 K HN 0.203 nan 8.250 nan 0.000 0.484 95 L N 2.357 123.470 121.223 -0.182 0.000 2.795 95 L HA 0.209 4.545 4.340 -0.007 0.000 0.260 95 L C -1.701 175.167 176.870 -0.003 0.000 0.935 95 L CA -0.541 54.242 54.840 -0.095 0.000 0.985 95 L CB 1.825 43.828 42.059 -0.093 0.000 1.433 95 L HN 0.323 nan 8.230 nan 0.000 0.447 96 V N 5.536 125.495 119.914 0.075 0.000 2.370 96 V HA 0.303 4.419 4.120 -0.007 0.000 0.279 96 V C -0.653 175.586 176.094 0.241 0.000 1.029 96 V CA -0.563 61.824 62.300 0.145 0.000 0.870 96 V CB 1.390 33.279 31.823 0.109 0.000 0.984 96 V HN 0.604 nan 8.190 nan 0.000 0.451 97 Y N 5.349 125.693 120.300 0.073 0.000 2.335 97 Y HA 0.667 5.212 4.550 -0.007 0.000 0.339 97 Y C 0.453 176.339 175.900 -0.023 0.000 0.987 97 Y CA -0.624 57.398 58.100 -0.130 0.000 1.140 97 Y CB 1.350 39.822 38.460 0.019 0.000 1.173 97 Y HN 0.860 nan 8.280 nan 0.000 0.486 98 T N 0.500 114.710 114.554 -0.573 0.000 2.716 98 T HA 0.284 4.630 4.350 -0.007 0.000 0.286 98 T C 0.586 174.482 174.700 -1.340 0.000 1.052 98 T CA -0.664 60.938 62.100 -0.831 0.000 1.024 98 T CB 1.454 69.974 68.868 -0.581 0.000 1.349 98 T HN 0.619 nan 8.240 nan 0.000 0.525 99 E N -0.110 119.169 120.200 -1.536 0.000 2.274 99 E HA 0.026 4.372 4.350 -0.007 0.000 0.194 99 E C 1.037 177.307 176.600 -0.550 0.000 0.996 99 E CA 0.577 56.235 56.400 -1.238 0.000 0.840 99 E CB 0.036 29.181 29.700 -0.924 0.000 0.772 99 E HN 0.454 nan 8.360 nan 0.000 0.491 100 K N 0.261 120.421 120.400 -0.399 0.000 2.570 100 K HA 0.200 4.516 4.320 -0.007 0.000 0.210 100 K C 0.095 176.637 176.600 -0.096 0.000 1.048 100 K CA 0.243 56.441 56.287 -0.148 0.000 1.167 100 K CB 1.110 33.604 32.500 -0.011 0.000 0.892 100 K HN 0.242 nan 8.250 nan 0.000 0.480 101 G N 0.860 109.522 108.800 -0.230 0.000 2.548 101 G HA2 -0.234 3.722 3.960 -0.007 0.000 0.208 101 G HA3 -0.234 3.722 3.960 -0.007 0.000 0.208 101 G C -0.853 173.793 174.900 -0.423 0.000 1.308 101 G CA -0.971 43.984 45.100 -0.240 0.000 0.924 101 G HN 0.096 nan 8.290 nan 0.000 0.540 102 F N -0.198 119.553 119.950 -0.333 0.000 2.440 102 F HA 0.869 5.392 4.527 -0.007 0.000 0.328 102 F C 0.436 175.758 175.800 -0.798 0.000 1.070 102 F CA -0.363 57.436 58.000 -0.334 0.000 1.011 102 F CB 1.531 40.395 39.000 -0.227 0.000 1.226 102 F HN 0.537 nan 8.300 nan 0.000 0.491 103 Y N -0.888 119.389 120.300 -0.039 0.000 2.644 103 Y HA 0.389 4.935 4.550 -0.007 0.000 0.338 103 Y C -0.089 175.661 175.900 -0.251 0.000 1.119 103 Y CA -1.143 56.876 58.100 -0.134 0.000 1.060 103 Y CB 0.973 39.377 38.460 -0.093 0.000 1.294 103 Y HN 0.368 nan 8.280 nan 0.000 0.472 104 F N -0.642 119.406 119.950 0.163 0.000 2.446 104 F HA 0.216 4.738 4.527 -0.007 0.000 0.292 104 F C 0.534 176.366 175.800 0.053 0.000 1.096 104 F CA 0.425 58.471 58.000 0.077 0.000 1.438 104 F CB 0.466 39.496 39.000 0.051 0.000 1.107 104 F HN 0.250 nan 8.300 nan 0.000 0.546 105 E N 0.112 120.462 120.200 0.249 0.000 2.277 105 E HA 0.345 4.691 4.350 -0.007 0.000 0.266 105 E C -0.645 175.959 176.600 0.007 0.000 0.901 105 E CA -0.793 55.673 56.400 0.110 0.000 0.782 105 E CB 2.605 32.360 29.700 0.092 0.000 1.228 105 E HN -0.302 nan 8.360 nan 0.000 0.424 106 V N 3.496 123.392 119.914 -0.029 0.000 2.529 106 V HA 0.095 4.211 4.120 -0.007 0.000 0.292 106 V C -1.966 174.002 176.094 -0.210 0.000 1.028 106 V CA -0.951 61.281 62.300 -0.113 0.000 1.074 106 V CB 0.124 31.888 31.823 -0.098 0.000 0.958 106 V HN 0.457 nan 8.190 nan 0.000 0.481 107 P HA 0.305 nan 4.420 nan 0.000 0.275 107 P C 0.464 177.663 177.300 -0.168 0.000 1.228 107 P CA -0.094 62.641 63.100 -0.609 0.000 0.786 107 P CB 0.713 31.490 31.700 -1.538 0.000 0.927 108 T N -4.072 110.450 114.554 -0.053 0.000 3.092 108 T HA 0.015 4.360 4.350 -0.007 0.000 0.273 108 T C 0.792 175.605 174.700 0.188 0.000 0.898 108 T CA -0.220 61.943 62.100 0.105 0.000 0.868 108 T CB -0.325 68.602 68.868 0.098 0.000 1.228 108 T HN 0.374 nan 8.240 nan 0.000 0.555 109 D N 1.261 121.793 120.400 0.220 0.000 2.323 109 D HA 0.106 4.742 4.640 -0.007 0.000 0.209 109 D C 0.158 176.745 176.300 0.479 0.000 0.973 109 D CA 0.311 54.509 54.000 0.331 0.000 0.874 109 D CB 0.230 41.166 40.800 0.227 0.000 0.930 109 D HN 0.494 nan 8.370 nan 0.000 0.521 110 D N -0.762 119.904 120.400 0.443 0.000 2.927 110 D HA 0.103 4.738 4.640 -0.007 0.000 0.219 110 D C 0.540 176.990 176.300 0.250 0.000 1.248 110 D CA -0.427 53.790 54.000 0.362 0.000 0.861 110 D CB 1.907 42.778 40.800 0.117 0.000 1.677 110 D HN -0.156 nan 8.370 nan 0.000 0.511 111 T N 0.432 115.020 114.554 0.058 0.000 3.148 111 T HA 0.216 4.562 4.350 -0.007 0.000 0.253 111 T C 1.543 176.141 174.700 -0.170 0.000 1.134 111 T CA 0.538 62.489 62.100 -0.250 0.000 1.051 111 T CB 0.056 68.533 68.868 -0.651 0.000 0.959 111 T HN 0.343 nan 8.240 nan 0.000 0.525 112 A N 0.212 122.912 122.820 -0.200 0.000 2.168 112 A HA 0.190 4.506 4.320 -0.007 0.000 0.215 112 A C 1.647 178.987 177.584 -0.407 0.000 1.152 112 A CA 0.310 52.167 52.037 -0.299 0.000 0.716 112 A CB -0.857 17.949 19.000 -0.323 0.000 0.794 112 A HN 0.629 nan 8.150 nan 0.000 0.465 113 Y N -1.620 118.393 120.300 -0.479 0.000 2.439 113 Y HA 0.003 4.548 4.550 -0.007 0.000 0.292 113 Y C 0.402 175.750 175.900 -0.921 0.000 1.130 113 Y CA 0.409 58.083 58.100 -0.710 0.000 1.254 113 Y CB -0.361 37.494 38.460 -1.009 0.000 1.000 113 Y HN 0.351 nan 8.280 nan 0.000 0.554 114 Y N -0.888 119.205 120.300 -0.344 0.000 2.301 114 Y HA 0.276 4.821 4.550 -0.007 0.000 0.325 114 Y C 0.142 175.705 175.900 -0.562 0.000 1.203 114 Y CA -1.793 56.006 58.100 -0.501 0.000 1.255 114 Y CB 0.239 38.419 38.460 -0.466 0.000 1.232 114 Y HN -0.237 nan 8.280 nan 0.000 0.501 115 F N 0.751 120.449 119.950 -0.421 0.000 2.535 115 F HA 0.270 4.793 4.527 -0.008 0.000 0.332 115 F C 0.560 176.022 175.800 -0.564 0.000 1.208 115 F CA -0.307 57.382 58.000 -0.518 0.000 1.330 115 F CB 0.350 38.935 39.000 -0.691 0.000 1.167 115 F HN 0.407 nan 8.300 nan 0.000 0.597 116 C N 2.637 121.924 119.300 -0.023 0.000 2.880 116 C HA 0.586 5.042 4.460 -0.007 0.000 0.320 116 C C -1.274 173.934 174.990 0.363 0.000 1.176 116 C CA -1.062 58.028 59.018 0.120 0.000 1.390 116 C CB 0.207 27.975 27.740 0.048 0.000 1.846 116 C HN 0.641 nan 8.230 nan 0.000 0.478 117 F N 7.992 128.151 119.950 0.349 0.000 2.451 117 F HA 0.436 4.958 4.527 -0.007 0.000 0.367 117 F C -1.188 174.757 175.800 0.242 0.000 1.100 117 F CA -2.037 56.147 58.000 0.307 0.000 1.171 117 F CB 1.354 40.536 39.000 0.303 0.000 1.405 117 F HN 0.553 nan 8.300 nan 0.000 0.482 118 P HA -0.230 nan 4.420 nan 0.000 0.217 118 P C -0.021 177.476 177.300 0.328 0.000 1.158 118 P CA 1.727 64.939 63.100 0.187 0.000 0.887 118 P CB 0.522 32.293 31.700 0.118 0.000 0.792 119 F N -2.387 117.608 119.950 0.075 0.000 2.708 119 F HA 0.383 4.906 4.527 -0.007 0.000 0.309 119 F C -1.287 174.556 175.800 0.072 0.000 1.120 119 F CA -0.989 57.043 58.000 0.052 0.000 0.978 119 F CB 1.153 40.093 39.000 -0.100 0.000 1.283 119 F HN -0.389 nan 8.300 nan 0.000 0.439 120 L N 6.108 127.290 121.223 -0.069 0.000 2.261 120 L HA 0.375 4.710 4.340 -0.007 0.000 0.289 120 L C -0.648 176.326 176.870 0.173 0.000 1.059 120 L CA -0.333 54.604 54.840 0.162 0.000 0.816 120 L CB 0.379 42.442 42.059 0.007 0.000 1.191 120 L HN 0.451 nan 8.230 nan 0.000 0.431 121 H N 3.641 122.967 119.070 0.427 0.000 2.476 121 H HA 0.201 4.752 4.556 -0.007 0.000 0.328 121 H C 0.624 176.085 175.328 0.220 0.000 1.073 121 H CA -0.425 55.825 56.048 0.338 0.000 1.229 121 H CB 2.131 32.038 29.762 0.242 0.000 1.432 121 H HN 0.566 nan 8.280 nan 0.000 0.477 122 R N 2.508 123.179 120.500 0.284 0.000 2.091 122 R HA -0.119 4.216 4.340 -0.007 0.000 0.238 122 R C 1.598 177.995 176.300 0.161 0.000 1.136 122 R CA 1.426 57.636 56.100 0.183 0.000 0.959 122 R CB -0.146 30.239 30.300 0.140 0.000 0.856 122 R HN 0.389 nan 8.270 nan 0.000 0.437 123 V N 1.182 121.197 119.914 0.168 0.000 2.720 123 V HA -0.156 3.960 4.120 -0.007 0.000 0.256 123 V C 0.607 176.765 176.094 0.107 0.000 1.082 123 V CA 2.054 64.418 62.300 0.108 0.000 1.101 123 V CB -0.182 31.683 31.823 0.069 0.000 0.693 123 V HN 0.355 nan 8.190 nan 0.000 0.479 124 D N -0.384 120.116 120.400 0.167 0.000 2.349 124 D HA 0.149 4.785 4.640 -0.007 0.000 0.214 124 D C 0.614 177.028 176.300 0.190 0.000 1.063 124 D CA -0.164 53.935 54.000 0.165 0.000 0.847 124 D CB 0.165 41.087 40.800 0.203 0.000 0.933 124 D HN 0.373 nan 8.370 nan 0.000 0.513 125 L N 1.267 122.598 121.223 0.179 0.000 2.514 125 L HA 0.075 4.410 4.340 -0.007 0.000 0.280 125 L C -0.159 176.805 176.870 0.156 0.000 1.223 125 L CA -0.055 54.890 54.840 0.175 0.000 0.864 125 L CB 0.120 42.249 42.059 0.117 0.000 1.118 125 L HN -0.151 nan 8.230 nan 0.000 0.494 126 F N 4.891 124.870 119.950 0.049 0.000 2.429 126 F HA 0.383 4.905 4.527 -0.007 0.000 0.348 126 F C 0.090 175.880 175.800 -0.017 0.000 1.109 126 F CA -0.081 57.929 58.000 0.017 0.000 1.232 126 F CB 0.458 39.452 39.000 -0.009 0.000 1.157 126 F HN 0.657 nan 8.300 nan 0.000 0.564 127 E N 5.090 124.885 120.200 -0.675 0.000 2.367 127 E HA 0.536 4.881 4.350 -0.007 0.000 0.292 127 E C -1.995 174.330 176.600 -0.459 0.000 0.900 127 E CA -0.734 55.439 56.400 -0.380 0.000 0.807 127 E CB 1.000 30.603 29.700 -0.162 0.000 1.337 127 E HN 0.878 nan 8.360 nan 0.000 0.394 128 A N 4.812 127.459 122.820 -0.289 0.000 2.312 128 A HA 0.677 4.992 4.320 -0.007 0.000 0.328 128 A C -2.318 175.206 177.584 -0.100 0.000 1.158 128 A CA -1.551 50.401 52.037 -0.142 0.000 0.821 128 A CB 0.518 19.545 19.000 0.046 0.000 1.170 128 A HN 0.516 nan 8.150 nan 0.000 0.490 129 P HA -0.047 nan 4.420 nan 0.000 0.260 129 P C -0.117 176.985 177.300 -0.330 0.000 1.185 129 P CA 0.548 63.569 63.100 -0.133 0.000 0.763 129 P CB 0.578 32.250 31.700 -0.046 0.000 0.776 130 D N 4.478 124.805 120.400 -0.122 0.000 2.190 130 D HA -0.195 4.441 4.640 -0.007 0.000 0.200 130 D C 1.692 177.925 176.300 -0.112 0.000 0.992 130 D CA 1.332 55.276 54.000 -0.093 0.000 0.854 130 D CB -0.249 40.556 40.800 0.009 0.000 0.936 130 D HN 0.544 nan 8.370 nan 0.000 0.462 131 W N 0.865 122.133 121.300 -0.055 0.000 2.374 131 W HA -0.152 4.503 4.660 -0.007 0.000 0.288 131 W C 1.853 178.300 176.519 -0.121 0.000 1.218 131 W CA 1.323 58.617 57.345 -0.085 0.000 1.245 131 W CB -1.475 27.932 29.460 -0.090 0.000 1.126 131 W HN 0.025 nan 8.180 nan 0.000 0.545 132 V N 1.286 120.608 119.914 -0.988 0.000 2.392 132 V HA -0.277 3.838 4.120 -0.007 0.000 0.249 132 V C 2.421 178.305 176.094 -0.350 0.000 1.059 132 V CA 2.288 64.064 62.300 -0.872 0.000 1.051 132 V CB -1.094 29.934 31.823 -1.324 0.000 0.658 132 V HN 0.120 nan 8.190 nan 0.000 0.455 133 K N 0.430 120.666 120.400 -0.273 0.000 2.228 133 K HA -0.194 4.122 4.320 -0.007 0.000 0.205 133 K C 1.546 178.092 176.600 -0.090 0.000 1.045 133 K CA 1.957 58.161 56.287 -0.138 0.000 0.931 133 K CB -0.330 32.114 32.500 -0.093 0.000 0.727 133 K HN 0.623 nan 8.250 nan 0.000 0.458 134 D N -0.160 120.196 120.400 -0.073 0.000 2.398 134 D HA 0.032 4.668 4.640 -0.007 0.000 0.210 134 D C 0.063 176.327 176.300 -0.060 0.000 1.094 134 D CA 0.276 54.248 54.000 -0.046 0.000 0.839 134 D CB 0.598 41.387 40.800 -0.018 0.000 0.963 134 D HN 0.044 nan 8.370 nan 0.000 0.506 135 T N 0.513 115.010 114.554 -0.096 0.000 2.882 135 T HA 0.365 4.711 4.350 -0.007 0.000 0.287 135 T C 0.256 174.846 174.700 -0.185 0.000 1.014 135 T CA -0.250 61.736 62.100 -0.190 0.000 1.049 135 T CB 2.474 71.124 68.868 -0.363 0.000 1.001 135 T HN -0.289 nan 8.240 nan 0.000 0.525 136 V N 2.425 122.207 119.914 -0.219 0.000 2.419 136 V HA 0.300 4.415 4.120 -0.007 0.000 0.287 136 V C -1.015 175.057 176.094 -0.037 0.000 1.017 136 V CA -1.071 61.188 62.300 -0.070 0.000 0.844 136 V CB 0.767 32.575 31.823 -0.024 0.000 1.011 136 V HN 0.830 nan 8.190 nan 0.000 0.429 137 W N 3.306 124.636 121.300 0.050 0.000 2.183 137 W HA 0.549 5.205 4.660 -0.007 0.000 0.348 137 W C -0.351 176.309 176.519 0.234 0.000 1.257 137 W CA -0.428 57.016 57.345 0.165 0.000 1.324 137 W CB 0.530 30.119 29.460 0.216 0.000 1.144 137 W HN 0.557 nan 8.180 nan 0.000 0.622 138 Y N 1.940 122.492 120.300 0.421 0.000 2.373 138 Y HA 0.186 4.731 4.550 -0.007 0.000 0.327 138 Y C -0.135 175.936 175.900 0.285 0.000 1.036 138 Y CA -1.139 57.131 58.100 0.284 0.000 1.265 138 Y CB 0.717 39.286 38.460 0.181 0.000 1.108 138 Y HN 0.430 nan 8.280 nan 0.000 0.471 139 Q N 6.332 126.224 119.800 0.153 0.000 2.296 139 Q HA 0.418 4.754 4.340 -0.007 0.000 0.262 139 Q C -1.226 174.717 176.000 -0.094 0.000 0.981 139 Q CA -0.005 55.872 55.803 0.122 0.000 0.905 139 Q CB 0.646 29.590 28.738 0.343 0.000 1.186 139 Q HN 0.773 nan 8.270 nan 0.000 0.399 140 I N 4.084 124.514 120.570 -0.233 0.000 2.474 140 I HA 0.247 4.413 4.170 -0.007 0.000 0.294 140 I C -0.855 175.057 176.117 -0.342 0.000 1.005 140 I CA -0.876 60.187 61.300 -0.395 0.000 1.113 140 I CB 1.346 39.002 38.000 -0.575 0.000 1.289 140 I HN 0.629 nan 8.210 nan 0.000 0.436 141 F N 9.109 128.728 119.950 -0.551 0.000 2.309 141 F HA 0.420 4.943 4.527 -0.007 0.000 0.366 141 F C -1.810 173.784 175.800 -0.344 0.000 1.104 141 F CA -2.372 55.424 58.000 -0.340 0.000 1.179 141 F CB 0.630 39.566 39.000 -0.107 0.000 1.437 141 F HN 0.285 nan 8.300 nan 0.000 0.528 142 P HA -0.299 nan 4.420 nan 0.000 0.222 142 P C 1.518 178.602 177.300 -0.360 0.000 1.159 142 P CA 1.584 64.299 63.100 -0.640 0.000 0.920 142 P CB 0.236 31.163 31.700 -1.287 0.000 0.793 143 E N -1.142 118.903 120.200 -0.259 0.000 2.331 143 E HA -0.180 4.166 4.350 -0.007 0.000 0.199 143 E C 1.083 177.840 176.600 0.262 0.000 1.008 143 E CA 0.988 57.510 56.400 0.202 0.000 0.843 143 E CB -0.050 29.797 29.700 0.245 0.000 0.761 143 E HN 0.155 nan 8.360 nan 0.000 0.507 144 R N -1.553 119.060 120.500 0.187 0.000 2.549 144 R HA 0.101 4.437 4.340 -0.007 0.000 0.344 144 R C 1.332 177.809 176.300 0.295 0.000 0.979 144 R CA -0.264 55.894 56.100 0.095 0.000 1.140 144 R CB -0.541 29.811 30.300 0.087 0.000 1.377 144 R HN 0.075 nan 8.270 nan 0.000 0.541 145 F N 1.242 121.307 119.950 0.191 0.000 2.104 145 F HA 0.431 4.954 4.527 -0.007 0.000 0.288 145 F C 0.338 176.469 175.800 0.552 0.000 1.107 145 F CA 0.298 58.431 58.000 0.221 0.000 1.208 145 F CB 0.291 39.304 39.000 0.021 0.000 1.033 145 F HN -0.040 nan 8.300 nan 0.000 0.478 146 A N 0.021 123.015 122.820 0.290 0.000 2.589 146 A HA 0.453 4.769 4.320 -0.007 0.000 0.296 146 A C -1.473 175.943 177.584 -0.280 0.000 1.062 146 A CA -0.575 51.269 52.037 -0.320 0.000 0.686 146 A CB 0.459 19.263 19.000 -0.328 0.000 1.282 146 A HN 0.188 nan 8.150 nan 0.000 0.404 147 N N 1.405 119.757 118.700 -0.581 0.000 2.949 147 N HA 0.373 5.109 4.740 -0.007 0.000 0.243 147 N C 1.039 176.458 175.510 -0.150 0.000 1.113 147 N CA 0.432 53.372 53.050 -0.183 0.000 0.980 147 N CB 0.618 39.058 38.487 -0.078 0.000 1.256 147 N HN 0.752 nan 8.380 nan 0.000 0.508 148 G N 1.491 110.237 108.800 -0.091 0.000 2.848 148 G HA2 -0.109 3.847 3.960 -0.007 0.000 0.208 148 G HA3 -0.109 3.847 3.960 -0.007 0.000 0.208 148 G C 0.282 175.157 174.900 -0.042 0.000 1.152 148 G CA -0.068 44.979 45.100 -0.090 0.000 0.789 148 G HN 0.578 nan 8.290 nan 0.000 0.531 149 N N -0.884 117.817 118.700 0.002 0.000 2.664 149 N HA 0.306 5.042 4.740 -0.007 0.000 0.268 149 N C -2.393 173.151 175.510 0.057 0.000 1.222 149 N CA -1.399 51.667 53.050 0.026 0.000 0.805 149 N CB 1.931 40.443 38.487 0.041 0.000 1.399 149 N HN -0.255 nan 8.380 nan 0.000 0.547 150 P HA -0.085 nan 4.420 nan 0.000 0.217 150 P C 1.260 178.603 177.300 0.071 0.000 1.151 150 P CA 1.072 64.214 63.100 0.069 0.000 0.828 150 P CB 0.235 31.966 31.700 0.051 0.000 0.788 151 S N 0.692 116.423 115.700 0.051 0.000 2.407 151 S HA -0.204 4.261 4.470 -0.007 0.000 0.235 151 S C 1.648 176.282 174.600 0.056 0.000 1.036 151 S CA 1.678 59.905 58.200 0.045 0.000 1.013 151 S CB -1.660 61.558 63.200 0.030 0.000 0.820 151 S HN 0.375 nan 8.310 nan 0.000 0.476 152 I N -0.907 119.708 120.570 0.076 0.000 3.891 152 I HA 0.388 4.554 4.170 -0.007 0.000 0.331 152 I C -0.312 175.925 176.117 0.200 0.000 1.406 152 I CA -0.630 60.725 61.300 0.091 0.000 1.139 152 I CB 0.097 38.133 38.000 0.061 0.000 1.056 152 I HN -0.034 nan 8.210 nan 0.000 0.399 153 S N 3.222 119.026 115.700 0.173 0.000 2.548 153 S HA 0.342 4.808 4.470 -0.007 0.000 0.277 153 S C -2.131 172.537 174.600 0.113 0.000 1.315 153 S CA -0.666 57.638 58.200 0.173 0.000 1.050 153 S CB 0.385 63.676 63.200 0.153 0.000 0.918 153 S HN 0.188 nan 8.310 nan 0.000 0.497 154 P HA 0.024 nan 4.420 nan 0.000 0.266 154 P C -0.157 177.056 177.300 -0.145 0.000 1.193 154 P CA -0.041 62.840 63.100 -0.364 0.000 0.770 154 P CB 0.350 31.444 31.700 -1.010 0.000 0.836 155 E N 1.021 121.163 120.200 -0.097 0.000 2.413 155 E HA 0.228 4.574 4.350 -0.007 0.000 0.263 155 E C 1.207 177.774 176.600 -0.054 0.000 1.015 155 E CA 0.906 57.282 56.400 -0.041 0.000 0.916 155 E CB -0.040 29.648 29.700 -0.020 0.000 0.947 155 E HN 0.791 nan 8.360 nan 0.000 0.440 156 G N 2.484 111.273 108.800 -0.019 0.000 2.213 156 G HA2 -0.284 3.672 3.960 -0.007 0.000 0.236 156 G HA3 -0.284 3.672 3.960 -0.007 0.000 0.236 156 G C 0.298 175.189 174.900 -0.016 0.000 0.991 156 G CA 0.067 45.162 45.100 -0.009 0.000 0.629 156 G HN 0.487 nan 8.290 nan 0.000 0.517 157 S N 2.412 118.108 115.700 -0.007 0.000 2.626 157 S HA 0.336 4.801 4.470 -0.007 0.000 0.303 157 S C 0.901 175.460 174.600 -0.068 0.000 1.256 157 S CA 0.040 58.236 58.200 -0.006 0.000 1.069 157 S CB 0.643 63.892 63.200 0.081 0.000 0.807 157 S HN 0.493 nan 8.310 nan 0.000 0.500 158 R N 2.641 122.981 120.500 -0.267 0.000 2.500 158 R HA 0.346 4.681 4.340 -0.007 0.000 0.275 158 R C -2.713 173.575 176.300 -0.020 0.000 1.051 158 R CA -2.739 53.217 56.100 -0.240 0.000 1.088 158 R CB -0.855 29.148 30.300 -0.496 0.000 1.063 158 R HN 0.313 nan 8.270 nan 0.000 0.511 159 P HA -0.110 nan 4.420 nan 0.000 0.258 159 P C -0.072 177.472 177.300 0.406 0.000 1.187 159 P CA 0.100 63.337 63.100 0.230 0.000 0.767 159 P CB 0.220 32.019 31.700 0.165 0.000 0.770 160 W N 4.819 126.311 121.300 0.321 0.000 2.568 160 W HA -0.091 4.565 4.660 -0.007 0.000 0.343 160 W C 0.937 177.595 176.519 0.231 0.000 1.097 160 W CA 2.059 59.624 57.345 0.367 0.000 1.171 160 W CB -0.528 29.065 29.460 0.221 0.000 1.142 160 W HN 0.855 nan 8.180 nan 0.000 0.569 161 G N 3.323 111.911 108.800 -0.353 0.000 2.203 161 G HA2 -0.378 3.577 3.960 -0.007 0.000 0.263 161 G HA3 -0.378 3.577 3.960 -0.007 0.000 0.263 161 G C 0.953 175.849 174.900 -0.007 0.000 1.012 161 G CA 0.841 45.751 45.100 -0.318 0.000 0.749 161 G HN 0.989 nan 8.290 nan 0.000 0.512 162 S N -1.572 114.227 115.700 0.165 0.000 2.483 162 S HA 0.353 4.819 4.470 -0.007 0.000 0.221 162 S C 0.673 175.354 174.600 0.134 0.000 1.030 162 S CA 0.786 59.072 58.200 0.144 0.000 0.925 162 S CB 0.607 63.902 63.200 0.159 0.000 0.795 162 S HN 0.639 nan 8.310 nan 0.000 0.511 163 E N 0.953 121.288 120.200 0.226 0.000 2.281 163 E HA 0.435 4.781 4.350 -0.007 0.000 0.262 163 E C -1.506 175.210 176.600 0.195 0.000 0.933 163 E CA -1.015 55.494 56.400 0.181 0.000 0.809 163 E CB 0.789 30.584 29.700 0.158 0.000 1.242 163 E HN 0.093 nan 8.360 nan 0.000 0.418 164 D N 1.871 122.340 120.400 0.116 0.000 2.372 164 D HA 0.174 4.809 4.640 -0.007 0.000 0.243 164 D C -2.237 174.147 176.300 0.140 0.000 1.121 164 D CA -1.350 52.694 54.000 0.074 0.000 0.898 164 D CB 0.558 41.379 40.800 0.035 0.000 1.202 164 D HN 0.047 nan 8.370 nan 0.000 0.428 165 P HA 0.114 nan 4.420 nan 0.000 0.271 165 P C -0.262 177.093 177.300 0.091 0.000 1.216 165 P CA -0.212 62.979 63.100 0.152 0.000 0.776 165 P CB 0.624 32.357 31.700 0.054 0.000 0.881 166 T N -0.575 114.029 114.554 0.084 0.000 2.942 166 T HA 0.483 4.829 4.350 -0.007 0.000 0.289 166 T C -2.182 172.531 174.700 0.021 0.000 1.044 166 T CA -2.340 59.780 62.100 0.033 0.000 1.023 166 T CB 1.293 70.168 68.868 0.011 0.000 1.123 166 T HN 0.017 nan 8.240 nan 0.000 0.512 167 P HA 0.042 nan 4.420 nan 0.000 0.225 167 P C 1.065 178.362 177.300 -0.004 0.000 1.148 167 P CA 0.969 64.096 63.100 0.045 0.000 0.779 167 P CB 0.033 31.764 31.700 0.052 0.000 0.780 168 T N -5.881 108.633 114.554 -0.065 0.000 3.170 168 T HA 0.210 4.555 4.350 -0.007 0.000 0.288 168 T C 0.539 175.065 174.700 -0.289 0.000 0.992 168 T CA -0.351 61.658 62.100 -0.152 0.000 0.909 168 T CB -0.555 68.295 68.868 -0.030 0.000 1.133 168 T HN 0.022 nan 8.240 nan 0.000 0.530 169 S N 0.766 116.308 115.700 -0.263 0.000 2.632 169 S HA 0.767 5.233 4.470 -0.007 0.000 0.267 169 S C -0.817 173.490 174.600 -0.488 0.000 1.276 169 S CA -0.595 57.453 58.200 -0.253 0.000 0.998 169 S CB 0.387 63.511 63.200 -0.126 0.000 0.953 169 S HN 0.262 nan 8.310 nan 0.000 0.547 170 F N -0.558 119.309 119.950 -0.138 0.000 2.588 170 F HA 0.581 5.104 4.527 -0.007 0.000 0.310 170 F C -0.258 175.415 175.800 -0.213 0.000 1.082 170 F CA -1.075 56.905 58.000 -0.033 0.000 0.929 170 F CB 1.838 40.800 39.000 -0.064 0.000 1.254 170 F HN 0.582 nan 8.300 nan 0.000 0.455 171 F N 0.200 120.303 119.950 0.254 0.000 2.798 171 F HA 0.371 4.894 4.527 -0.007 0.000 0.328 171 F C 1.321 177.362 175.800 0.401 0.000 1.098 171 F CA 0.112 58.228 58.000 0.194 0.000 1.172 171 F CB 1.084 40.001 39.000 -0.140 0.000 1.072 171 F HN 0.677 nan 8.300 nan 0.000 0.555 172 G N 0.688 109.806 108.800 0.530 0.000 2.131 172 G HA2 -0.160 3.796 3.960 -0.007 0.000 0.223 172 G HA3 -0.160 3.796 3.960 -0.007 0.000 0.223 172 G C 0.651 175.861 174.900 0.517 0.000 0.990 172 G CA -0.306 45.072 45.100 0.463 0.000 0.671 172 G HN 0.691 nan 8.290 nan 0.000 0.521 173 G N 0.253 109.429 108.800 0.626 0.000 2.432 173 G HA2 0.554 4.510 3.960 -0.007 0.000 0.239 173 G HA3 0.554 4.510 3.960 -0.007 0.000 0.239 173 G C -0.029 175.044 174.900 0.289 0.000 1.291 173 G CA 0.820 46.216 45.100 0.494 0.000 0.863 173 G HN 1.011 nan 8.290 nan 0.000 0.560 174 D N 0.360 120.847 120.400 0.146 0.000 2.596 174 D HA 0.232 4.867 4.640 -0.007 0.000 0.262 174 D C 1.138 177.431 176.300 -0.012 0.000 1.210 174 D CA -0.969 53.084 54.000 0.087 0.000 0.873 174 D CB 0.855 41.762 40.800 0.179 0.000 1.408 174 D HN 0.178 nan 8.370 nan 0.000 0.441 175 L N -0.664 120.546 121.223 -0.022 0.000 2.079 175 L HA -0.188 4.148 4.340 -0.007 0.000 0.210 175 L C 2.297 179.182 176.870 0.025 0.000 1.081 175 L CA 1.379 56.206 54.840 -0.023 0.000 0.752 175 L CB -0.399 41.665 42.059 0.009 0.000 0.896 175 L HN 0.525 nan 8.230 nan 0.000 0.433 176 Q N 0.609 120.431 119.800 0.037 0.000 2.135 176 Q HA -0.154 4.182 4.340 -0.007 0.000 0.204 176 Q C 2.086 178.088 176.000 0.005 0.000 0.981 176 Q CA 2.016 57.830 55.803 0.018 0.000 0.856 176 Q CB -0.629 28.117 28.738 0.014 0.000 0.902 176 Q HN 0.409 nan 8.270 nan 0.000 0.425 177 G N 0.332 109.146 108.800 0.024 0.000 2.418 177 G HA2 -0.197 3.758 3.960 -0.007 0.000 0.217 177 G HA3 -0.197 3.758 3.960 -0.007 0.000 0.217 177 G C 1.450 176.449 174.900 0.164 0.000 1.158 177 G CA 0.881 46.000 45.100 0.031 0.000 0.771 177 G HN 0.439 nan 8.290 nan 0.000 0.545 178 I N 0.578 121.294 120.570 0.243 0.000 2.286 178 I HA -0.136 4.030 4.170 -0.007 0.000 0.248 178 I C 2.586 178.828 176.117 0.209 0.000 1.115 178 I CA 0.731 62.252 61.300 0.369 0.000 1.392 178 I CB -0.202 37.912 38.000 0.191 0.000 1.065 178 I HN 0.169 nan 8.210 nan 0.000 0.418 179 I N 0.742 121.363 120.570 0.085 0.000 2.226 179 I HA -0.279 3.887 4.170 -0.007 0.000 0.245 179 I C 1.845 177.942 176.117 -0.034 0.000 1.100 179 I CA 1.306 62.621 61.300 0.024 0.000 1.374 179 I CB -0.545 37.453 38.000 -0.002 0.000 1.057 179 I HN 0.202 nan 8.210 nan 0.000 0.413 180 D N -0.174 120.160 120.400 -0.111 0.000 2.309 180 D HA -0.155 4.480 4.640 -0.007 0.000 0.212 180 D C 1.555 177.527 176.300 -0.546 0.000 0.968 180 D CA 1.269 55.072 54.000 -0.329 0.000 0.882 180 D CB -0.219 40.305 40.800 -0.461 0.000 0.918 180 D HN 0.512 nan 8.370 nan 0.000 0.503 181 H N -0.702 118.276 119.070 -0.153 0.000 2.923 181 H HA 0.231 4.782 4.556 -0.007 0.000 0.268 181 H C 1.980 177.370 175.328 0.104 0.000 1.148 181 H CA -0.155 55.807 56.048 -0.143 0.000 1.146 181 H CB 0.797 30.330 29.762 -0.382 0.000 1.607 181 H HN 0.087 nan 8.280 nan 0.000 0.566 182 L N 0.462 121.779 121.223 0.156 0.000 2.129 182 L HA -0.215 4.120 4.340 -0.007 0.000 0.212 182 L C 1.809 178.739 176.870 0.100 0.000 1.087 182 L CA 1.218 56.136 54.840 0.130 0.000 0.757 182 L CB -0.143 41.952 42.059 0.059 0.000 0.896 182 L HN 0.137 nan 8.230 nan 0.000 0.434 183 D N -0.890 119.557 120.400 0.079 0.000 2.144 183 D HA -0.226 4.410 4.640 -0.007 0.000 0.200 183 D C 1.891 178.264 176.300 0.122 0.000 0.978 183 D CA 1.130 55.169 54.000 0.064 0.000 0.833 183 D CB -0.194 40.624 40.800 0.029 0.000 0.961 183 D HN 0.356 nan 8.370 nan 0.000 0.470 184 Y N 1.650 122.010 120.300 0.100 0.000 2.165 184 Y HA -0.177 4.368 4.550 -0.007 0.000 0.286 184 Y C 2.077 178.057 175.900 0.133 0.000 1.155 184 Y CA 1.354 59.565 58.100 0.184 0.000 1.164 184 Y CB -0.385 38.294 38.460 0.364 0.000 0.978 184 Y HN -0.080 nan 8.280 nan 0.000 0.513 185 L N -1.360 119.875 121.223 0.021 0.000 2.072 185 L HA -0.151 4.185 4.340 -0.007 0.000 0.205 185 L C 2.354 179.129 176.870 -0.158 0.000 1.079 185 L CA 0.920 55.647 54.840 -0.189 0.000 0.752 185 L CB -0.806 41.191 42.059 -0.103 0.000 0.906 185 L HN 0.080 nan 8.230 nan 0.000 0.436 186 V N 0.366 120.240 119.914 -0.067 0.000 2.343 186 V HA -0.324 3.792 4.120 -0.007 0.000 0.247 186 V C 2.188 178.238 176.094 -0.073 0.000 1.051 186 V CA 2.234 64.499 62.300 -0.058 0.000 1.036 186 V CB -0.573 31.235 31.823 -0.026 0.000 0.654 186 V HN 0.503 nan 8.190 nan 0.000 0.451 187 D N -0.276 120.082 120.400 -0.070 0.000 2.144 187 D HA -0.188 4.448 4.640 -0.007 0.000 0.199 187 D C 1.936 178.171 176.300 -0.108 0.000 0.984 187 D CA 0.963 54.928 54.000 -0.057 0.000 0.834 187 D CB -0.104 40.690 40.800 -0.010 0.000 0.955 187 D HN 0.267 nan 8.370 nan 0.000 0.465 188 L N -0.354 120.735 121.223 -0.224 0.000 2.083 188 L HA 0.131 4.467 4.340 -0.007 0.000 0.209 188 L C 1.894 178.650 176.870 -0.190 0.000 1.083 188 L CA 2.261 56.924 54.840 -0.295 0.000 0.752 188 L CB -0.458 41.333 42.059 -0.447 0.000 0.899 188 L HN 0.389 nan 8.230 nan 0.000 0.433 189 G N -2.118 106.596 108.800 -0.143 0.000 2.205 189 G HA2 -0.149 3.806 3.960 -0.007 0.000 0.180 189 G HA3 -0.149 3.806 3.960 -0.007 0.000 0.180 189 G C 0.208 175.055 174.900 -0.088 0.000 1.004 189 G CA -0.058 44.983 45.100 -0.098 0.000 0.670 189 G HN 0.138 nan 8.290 nan 0.000 0.496 190 I N 2.547 123.055 120.570 -0.103 0.000 2.710 190 I HA 0.266 4.431 4.170 -0.007 0.000 0.286 190 I C 1.570 177.639 176.117 -0.081 0.000 1.181 190 I CA 1.728 62.985 61.300 -0.071 0.000 1.430 190 I CB 0.652 38.596 38.000 -0.094 0.000 1.367 190 I HN 0.394 nan 8.210 nan 0.000 0.577 191 T N 1.101 115.590 114.554 -0.107 0.000 3.337 191 T HA 0.547 4.892 4.350 -0.007 0.000 0.299 191 T C 0.214 174.756 174.700 -0.263 0.000 0.998 191 T CA -0.274 61.735 62.100 -0.152 0.000 0.948 191 T CB -0.001 68.779 68.868 -0.145 0.000 1.170 191 T HN 0.947 nan 8.240 nan 0.000 0.508 192 G N 0.995 109.654 108.800 -0.236 0.000 2.657 192 G HA2 0.525 4.481 3.960 -0.007 0.000 0.303 192 G HA3 0.525 4.481 3.960 -0.007 0.000 0.303 192 G C -1.561 173.446 174.900 0.179 0.000 1.457 192 G CA -0.871 44.012 45.100 -0.361 0.000 0.982 192 G HN 0.388 nan 8.290 nan 0.000 0.583 193 I N 1.997 122.789 120.570 0.371 0.000 2.433 193 I HA 0.371 4.537 4.170 -0.007 0.000 0.292 193 I C -1.002 175.484 176.117 0.615 0.000 1.001 193 I CA -1.148 60.432 61.300 0.466 0.000 1.119 193 I CB 2.178 40.307 38.000 0.215 0.000 1.289 193 I HN 0.562 nan 8.210 nan 0.000 0.438 194 Y N 7.712 128.264 120.300 0.419 0.000 2.334 194 Y HA 0.628 5.174 4.550 -0.007 0.000 0.336 194 Y C -1.474 174.460 175.900 0.056 0.000 0.960 194 Y CA -1.174 57.042 58.100 0.192 0.000 1.164 194 Y CB 0.820 39.341 38.460 0.101 0.000 1.155 194 Y HN 0.380 nan 8.280 nan 0.000 0.478 195 L N 6.513 127.573 121.223 -0.273 0.000 2.309 195 L HA 0.479 4.815 4.340 -0.007 0.000 0.282 195 L C 0.673 177.196 176.870 -0.578 0.000 1.036 195 L CA -0.967 53.603 54.840 -0.450 0.000 0.806 195 L CB 1.755 43.638 42.059 -0.293 0.000 1.220 195 L HN 0.753 nan 8.230 nan 0.000 0.429 196 T N 0.194 114.395 114.554 -0.588 0.000 2.788 196 T HA 0.274 4.619 4.350 -0.007 0.000 0.287 196 T C -2.474 171.980 174.700 -0.411 0.000 1.007 196 T CA -1.708 60.130 62.100 -0.438 0.000 1.005 196 T CB 0.270 68.949 68.868 -0.315 0.000 1.012 196 T HN 0.293 nan 8.240 nan 0.000 0.530 197 P HA -0.030 nan 4.420 nan 0.000 0.262 197 P C 0.444 177.539 177.300 -0.341 0.000 1.151 197 P CA 0.603 63.381 63.100 -0.537 0.000 0.757 197 P CB -0.065 31.221 31.700 -0.691 0.000 0.754 198 I N -1.489 118.807 120.570 -0.457 0.000 4.439 198 I HA 0.275 4.440 4.170 -0.007 0.000 0.331 198 I C -0.125 175.997 176.117 0.008 0.000 1.345 198 I CA -0.214 61.050 61.300 -0.059 0.000 1.193 198 I CB 0.093 38.023 38.000 -0.117 0.000 1.221 198 I HN -0.098 nan 8.210 nan 0.000 0.429 199 F N 2.369 122.267 119.950 -0.088 0.000 2.406 199 F HA 0.431 4.953 4.527 -0.007 0.000 0.327 199 F C 1.255 177.015 175.800 -0.066 0.000 1.153 199 F CA -1.210 56.761 58.000 -0.049 0.000 1.218 199 F CB 0.118 39.101 39.000 -0.027 0.000 1.215 199 F HN -0.028 nan 8.300 nan 0.000 0.570 200 R N 1.160 121.775 120.500 0.193 0.000 2.485 200 R HA 0.214 4.550 4.340 -0.007 0.000 0.304 200 R C -0.398 175.914 176.300 0.020 0.000 0.934 200 R CA 0.636 56.777 56.100 0.069 0.000 1.102 200 R CB -0.107 30.253 30.300 0.100 0.000 0.906 200 R HN 0.735 nan 8.270 nan 0.000 0.407 201 S N 3.900 119.580 115.700 -0.032 0.000 2.552 201 S HA 0.396 4.861 4.470 -0.007 0.000 0.272 201 S C -2.293 172.293 174.600 -0.023 0.000 1.150 201 S CA -1.307 56.879 58.200 -0.023 0.000 0.849 201 S CB 1.951 65.119 63.200 -0.053 0.000 1.113 201 S HN 0.529 nan 8.310 nan 0.000 0.458 202 P HA 0.051 nan 4.420 nan 0.000 0.217 202 P C 0.832 178.186 177.300 0.089 0.000 1.154 202 P CA 0.624 63.747 63.100 0.040 0.000 0.841 202 P CB -0.394 31.345 31.700 0.065 0.000 0.790 203 S N 1.312 117.020 115.700 0.012 0.000 2.598 203 S HA -0.008 4.458 4.470 -0.007 0.000 0.256 203 S C 1.241 175.828 174.600 -0.022 0.000 1.350 203 S CA 0.131 58.280 58.200 -0.084 0.000 0.984 203 S CB -0.334 62.562 63.200 -0.507 0.000 0.930 203 S HN 0.138 nan 8.310 nan 0.000 0.577 204 N N 0.221 118.806 118.700 -0.192 0.000 2.416 204 N HA -0.068 4.667 4.740 -0.007 0.000 0.177 204 N C 1.071 176.615 175.510 0.057 0.000 1.036 204 N CA 1.350 54.365 53.050 -0.058 0.000 0.901 204 N CB -0.932 37.303 38.487 -0.420 0.000 0.976 204 N HN 0.952 nan 8.380 nan 0.000 0.444 205 H N -2.071 117.148 119.070 0.248 0.000 2.562 205 H HA 0.423 4.975 4.556 -0.007 0.000 0.267 205 H C 0.121 175.520 175.328 0.118 0.000 0.959 205 H CA -0.010 56.258 56.048 0.368 0.000 1.204 205 H CB 0.234 30.386 29.762 0.651 0.000 1.430 205 H HN -0.137 nan 8.280 nan 0.000 0.545 206 K N -1.054 119.320 120.400 -0.044 0.000 3.281 206 K HA -0.235 4.081 4.320 -0.007 0.000 0.295 206 K C -0.491 176.072 176.600 -0.061 0.000 1.233 206 K CA 0.919 57.157 56.287 -0.083 0.000 0.866 206 K CB -2.748 29.651 32.500 -0.169 0.000 1.265 206 K HN 0.555 nan 8.250 nan 0.000 0.482 207 Y N 0.751 121.272 120.300 0.369 0.000 2.490 207 Y HA 0.027 4.573 4.550 -0.007 0.000 0.281 207 Y C 0.594 176.606 175.900 0.188 0.000 1.174 207 Y CA 0.468 58.712 58.100 0.240 0.000 1.295 207 Y CB 0.367 38.960 38.460 0.222 0.000 1.062 207 Y HN 0.174 nan 8.280 nan 0.000 0.522 208 D N -0.755 119.806 120.400 0.269 0.000 2.683 208 D HA 0.083 4.719 4.640 -0.007 0.000 0.309 208 D C -0.300 176.040 176.300 0.066 0.000 1.238 208 D CA -0.328 53.792 54.000 0.200 0.000 0.936 208 D CB -0.191 40.747 40.800 0.231 0.000 1.001 208 D HN -0.125 nan 8.370 nan 0.000 0.505 209 T N 0.710 115.231 114.554 -0.054 0.000 2.849 209 T HA 0.229 4.574 4.350 -0.007 0.000 0.289 209 T C 1.328 175.969 174.700 -0.098 0.000 1.010 209 T CA 0.368 62.332 62.100 -0.227 0.000 1.161 209 T CB 1.283 69.699 68.868 -0.753 0.000 0.989 209 T HN 0.501 nan 8.240 nan 0.000 0.523 210 A N 2.731 125.555 122.820 0.006 0.000 2.035 210 A HA 0.284 4.600 4.320 -0.007 0.000 0.208 210 A C 0.804 178.559 177.584 0.286 0.000 1.206 210 A CA 0.176 52.312 52.037 0.165 0.000 0.773 210 A CB 0.413 19.480 19.000 0.112 0.000 0.878 210 A HN 0.716 nan 8.150 nan 0.000 0.469 211 D N -2.228 118.283 120.400 0.184 0.000 2.591 211 D HA 0.299 4.935 4.640 -0.007 0.000 0.222 211 D C -0.624 175.827 176.300 0.251 0.000 1.360 211 D CA -0.519 53.678 54.000 0.328 0.000 0.967 211 D CB 0.248 41.222 40.800 0.291 0.000 1.456 211 D HN 0.119 nan 8.370 nan 0.000 0.588 212 Y N 1.809 122.351 120.300 0.403 0.000 2.574 212 Y HA 0.074 4.620 4.550 -0.007 0.000 0.294 212 Y C 1.470 177.248 175.900 -0.204 0.000 1.142 212 Y CA 0.630 58.806 58.100 0.128 0.000 1.314 212 Y CB -0.021 38.459 38.460 0.034 0.000 0.991 212 Y HN 0.376 nan 8.280 nan 0.000 0.555 213 F N 0.159 120.279 119.950 0.283 0.000 2.664 213 F HA 0.135 4.658 4.527 -0.007 0.000 0.303 213 F C 0.501 176.395 175.800 0.157 0.000 1.092 213 F CA -0.319 57.720 58.000 0.064 0.000 1.305 213 F CB 0.213 39.115 39.000 -0.163 0.000 1.054 213 F HN 0.006 nan 8.300 nan 0.000 0.565 214 E N -0.637 119.801 120.200 0.395 0.000 2.314 214 E HA 0.484 4.829 4.350 -0.007 0.000 0.272 214 E C -1.164 175.686 176.600 0.417 0.000 0.884 214 E CA -0.973 55.661 56.400 0.391 0.000 0.753 214 E CB 2.221 32.076 29.700 0.259 0.000 1.213 214 E HN -0.192 nan 8.360 nan 0.000 0.432 215 V N 2.327 122.499 119.914 0.429 0.000 2.715 215 V HA -0.014 4.102 4.120 -0.007 0.000 0.299 215 V C 0.242 176.463 176.094 0.211 0.000 1.054 215 V CA 0.113 62.623 62.300 0.350 0.000 1.077 215 V CB 0.889 32.886 31.823 0.290 0.000 0.972 215 V HN 0.841 nan 8.190 nan 0.000 0.484 216 D N 5.464 125.941 120.400 0.128 0.000 2.493 216 D HA 0.086 4.721 4.640 -0.007 0.000 0.240 216 D C -1.559 174.727 176.300 -0.024 0.000 1.142 216 D CA -0.818 53.156 54.000 -0.045 0.000 0.872 216 D CB 1.316 41.890 40.800 -0.376 0.000 1.173 216 D HN 0.299 nan 8.370 nan 0.000 0.467 217 P HA -0.151 nan 4.420 nan 0.000 0.217 217 P C 0.248 177.450 177.300 -0.162 0.000 1.148 217 P CA 1.323 64.343 63.100 -0.134 0.000 0.828 217 P CB 0.113 31.663 31.700 -0.249 0.000 0.783 218 H N -3.447 115.574 119.070 -0.081 0.000 2.547 218 H HA 0.042 4.594 4.556 -0.007 0.000 0.272 218 H C 1.212 176.647 175.328 0.178 0.000 0.989 218 H CA 0.577 56.603 56.048 -0.035 0.000 1.214 218 H CB -0.254 29.408 29.762 -0.167 0.000 1.389 218 H HN 0.107 nan 8.280 nan 0.000 0.577 219 F N -0.614 119.404 119.950 0.113 0.000 2.505 219 F HA 0.359 4.882 4.527 -0.007 0.000 0.289 219 F C 1.593 177.429 175.800 0.060 0.000 1.101 219 F CA 0.960 59.006 58.000 0.076 0.000 1.446 219 F CB 0.228 39.248 39.000 0.034 0.000 1.123 219 F HN 0.235 nan 8.300 nan 0.000 0.564 220 G N -0.259 108.688 108.800 0.245 0.000 2.332 220 G HA2 0.250 4.205 3.960 -0.007 0.000 0.265 220 G HA3 0.250 4.205 3.960 -0.007 0.000 0.265 220 G C -1.988 172.998 174.900 0.143 0.000 1.329 220 G CA -0.315 44.880 45.100 0.157 0.000 0.949 220 G HN 0.178 nan 8.290 nan 0.000 0.476 221 D N -1.101 119.382 120.400 0.138 0.000 2.687 221 D HA 0.569 5.205 4.640 -0.007 0.000 0.264 221 D C 0.942 177.359 176.300 0.194 0.000 1.091 221 D CA -0.734 53.360 54.000 0.156 0.000 1.123 221 D CB 1.082 41.960 40.800 0.130 0.000 1.407 221 D HN 0.461 nan 8.370 nan 0.000 0.591 222 K N -0.579 119.972 120.400 0.251 0.000 2.209 222 K HA -0.151 4.165 4.320 -0.007 0.000 0.204 222 K C 1.598 178.432 176.600 0.390 0.000 1.048 222 K CA 1.068 57.577 56.287 0.370 0.000 0.940 222 K CB 0.047 32.863 32.500 0.528 0.000 0.729 222 K HN 0.520 nan 8.250 nan 0.000 0.451 223 E N 0.463 120.813 120.200 0.250 0.000 2.051 223 E HA -0.156 4.189 4.350 -0.007 0.000 0.192 223 E C 1.531 178.232 176.600 0.168 0.000 0.991 223 E CA 1.541 58.055 56.400 0.189 0.000 0.799 223 E CB 0.164 29.939 29.700 0.125 0.000 0.748 223 E HN 0.213 nan 8.360 nan 0.000 0.449 224 T N 1.574 116.214 114.554 0.143 0.000 2.777 224 T HA -0.155 4.191 4.350 -0.007 0.000 0.266 224 T C 1.832 176.597 174.700 0.108 0.000 1.040 224 T CA 1.000 63.164 62.100 0.107 0.000 1.141 224 T CB -0.260 68.663 68.868 0.092 0.000 0.868 224 T HN 0.111 nan 8.240 nan 0.000 0.444 225 L N 0.951 122.250 121.223 0.127 0.000 2.083 225 L HA 0.002 4.338 4.340 -0.007 0.000 0.209 225 L C 2.267 179.242 176.870 0.175 0.000 1.083 225 L CA 1.780 56.671 54.840 0.085 0.000 0.752 225 L CB -0.409 41.630 42.059 -0.033 0.000 0.899 225 L HN 0.011 nan 8.230 nan 0.000 0.433 226 K N -1.023 119.564 120.400 0.312 0.000 1.991 226 K HA -0.149 4.167 4.320 -0.007 0.000 0.212 226 K C 1.978 178.657 176.600 0.132 0.000 1.049 226 K CA 2.215 58.684 56.287 0.302 0.000 0.932 226 K CB -0.683 31.966 32.500 0.248 0.000 0.717 226 K HN 0.359 nan 8.250 nan 0.000 0.441 227 T N 1.537 116.151 114.554 0.101 0.000 2.653 227 T HA -0.211 4.135 4.350 -0.007 0.000 0.268 227 T C 1.623 176.337 174.700 0.022 0.000 1.035 227 T CA 1.652 63.782 62.100 0.051 0.000 1.154 227 T CB -0.385 68.511 68.868 0.045 0.000 0.862 227 T HN 0.133 nan 8.240 nan 0.000 0.441 228 L N 1.019 122.256 121.223 0.023 0.000 1.976 228 L HA 0.008 4.344 4.340 -0.007 0.000 0.209 228 L C 2.268 179.104 176.870 -0.056 0.000 1.071 228 L CA 1.602 56.438 54.840 -0.006 0.000 0.746 228 L CB -0.749 41.309 42.059 -0.002 0.000 0.890 228 L HN 0.295 nan 8.230 nan 0.000 0.432 229 I N -0.152 120.375 120.570 -0.071 0.000 2.248 229 I HA -0.317 3.849 4.170 -0.007 0.000 0.248 229 I C 1.983 177.876 176.117 -0.373 0.000 1.107 229 I CA 1.480 62.643 61.300 -0.229 0.000 1.373 229 I CB -0.661 37.261 38.000 -0.131 0.000 1.055 229 I HN 0.377 nan 8.210 nan 0.000 0.418 230 D N 0.614 120.928 120.400 -0.143 0.000 2.123 230 D HA -0.103 4.533 4.640 -0.007 0.000 0.200 230 D C 2.327 178.607 176.300 -0.033 0.000 0.976 230 D CA 1.014 54.977 54.000 -0.062 0.000 0.831 230 D CB -0.239 40.565 40.800 0.007 0.000 0.974 230 D HN 0.317 nan 8.370 nan 0.000 0.469 231 R N 0.146 120.624 120.500 -0.036 0.000 2.115 231 R HA -0.033 4.303 4.340 -0.007 0.000 0.230 231 R C 2.457 178.746 176.300 -0.018 0.000 1.111 231 R CA 0.561 56.651 56.100 -0.017 0.000 0.976 231 R CB -0.373 29.919 30.300 -0.013 0.000 0.870 231 R HN 0.212 nan 8.270 nan 0.000 0.445 232 C N -0.620 118.647 119.300 -0.054 0.000 2.442 232 C HA -0.107 4.348 4.460 -0.007 0.000 0.279 232 C C 2.291 177.296 174.990 0.026 0.000 1.237 232 C CA 0.778 59.774 59.018 -0.037 0.000 1.722 232 C CB -1.130 26.561 27.740 -0.081 0.000 2.056 232 C HN 0.567 nan 8.230 nan 0.000 0.469 233 H N 0.251 119.292 119.070 -0.048 0.000 2.353 233 H HA -0.187 4.365 4.556 -0.007 0.000 0.298 233 H C 2.214 177.503 175.328 -0.064 0.000 1.103 233 H CA 1.602 57.606 56.048 -0.073 0.000 1.293 233 H CB -0.139 29.584 29.762 -0.066 0.000 1.372 233 H HN 0.632 nan 8.280 nan 0.000 0.501 234 E N 0.737 120.989 120.200 0.088 0.000 2.160 234 E HA -0.149 4.197 4.350 -0.007 0.000 0.195 234 E C 1.363 177.966 176.600 0.006 0.000 0.991 234 E CA 0.993 57.411 56.400 0.030 0.000 0.810 234 E CB 0.088 29.798 29.700 0.016 0.000 0.742 234 E HN 0.481 nan 8.360 nan 0.000 0.466 235 K N -0.563 119.841 120.400 0.005 0.000 2.410 235 K HA 0.158 4.473 4.320 -0.007 0.000 0.200 235 K C 0.437 177.023 176.600 -0.024 0.000 1.023 235 K CA 0.382 56.662 56.287 -0.012 0.000 1.149 235 K CB 1.118 33.611 32.500 -0.011 0.000 0.859 235 K HN 0.161 nan 8.250 nan 0.000 0.514 236 G N 2.306 111.093 108.800 -0.022 0.000 2.256 236 G HA2 -0.239 3.717 3.960 -0.007 0.000 0.272 236 G HA3 -0.239 3.717 3.960 -0.007 0.000 0.272 236 G C -0.204 174.655 174.900 -0.068 0.000 1.076 236 G CA -0.222 44.844 45.100 -0.056 0.000 0.882 236 G HN 0.291 nan 8.290 nan 0.000 0.497 237 I N 0.559 121.114 120.570 -0.025 0.000 2.447 237 I HA 0.430 4.596 4.170 -0.007 0.000 0.287 237 I C 0.569 176.687 176.117 0.001 0.000 1.023 237 I CA -1.156 60.116 61.300 -0.047 0.000 1.083 237 I CB 1.375 39.359 38.000 -0.026 0.000 1.245 237 I HN -0.019 nan 8.210 nan 0.000 0.434 238 R N 4.479 124.909 120.500 -0.117 0.000 2.582 238 R HA 0.582 4.918 4.340 -0.007 0.000 0.271 238 R C -0.674 175.690 176.300 0.107 0.000 1.078 238 R CA -0.648 55.409 56.100 -0.072 0.000 1.127 238 R CB 1.504 31.588 30.300 -0.361 0.000 1.038 238 R HN 0.319 nan 8.270 nan 0.000 0.500 239 V N 3.038 123.069 119.914 0.194 0.000 2.540 239 V HA 0.427 4.543 4.120 -0.007 0.000 0.302 239 V C -0.116 176.159 176.094 0.301 0.000 1.035 239 V CA -0.746 61.687 62.300 0.221 0.000 0.873 239 V CB 1.744 33.596 31.823 0.049 0.000 0.992 239 V HN 0.692 nan 8.190 nan 0.000 0.428 240 M N 6.035 125.853 119.600 0.363 0.000 2.142 240 M HA 0.593 5.069 4.480 -0.007 0.000 0.299 240 M C -1.612 174.756 176.300 0.114 0.000 0.960 240 M CA -0.343 55.095 55.300 0.231 0.000 0.920 240 M CB 1.200 33.936 32.600 0.228 0.000 1.541 240 M HN 0.522 nan 8.290 nan 0.000 0.429 241 L N 2.054 123.219 121.223 -0.097 0.000 2.454 241 L HA 0.501 4.837 4.340 -0.007 0.000 0.256 241 L C -0.053 176.879 176.870 0.104 0.000 1.136 241 L CA -0.785 53.976 54.840 -0.130 0.000 0.804 241 L CB 0.785 42.626 42.059 -0.364 0.000 1.181 241 L HN 0.638 nan 8.230 nan 0.000 0.469 242 D N 0.670 121.087 120.400 0.029 0.000 2.233 242 D HA 0.442 5.078 4.640 -0.007 0.000 0.240 242 D C -0.833 175.483 176.300 0.027 0.000 1.074 242 D CA -0.227 53.824 54.000 0.084 0.000 0.838 242 D CB 1.908 42.695 40.800 -0.022 0.000 1.124 242 D HN 0.539 nan 8.370 nan 0.000 0.475 243 A N 3.826 126.610 122.820 -0.060 0.000 2.280 243 A HA 0.422 4.738 4.320 -0.007 0.000 0.320 243 A C -0.280 177.034 177.584 -0.450 0.000 1.366 243 A CA -0.645 51.076 52.037 -0.526 0.000 0.938 243 A CB 0.606 18.842 19.000 -1.274 0.000 1.157 243 A HN 0.368 nan 8.150 nan 0.000 0.536 244 V N 4.565 124.395 119.914 -0.140 0.000 2.174 244 V HA 0.141 4.257 4.120 -0.007 0.000 0.259 244 V C 0.067 176.285 176.094 0.207 0.000 1.261 244 V CA 0.068 62.368 62.300 0.000 0.000 1.137 244 V CB -0.985 30.853 31.823 0.025 0.000 1.290 244 V HN 0.842 nan 8.190 nan 0.000 0.486 245 F N 1.464 121.366 119.950 -0.080 0.000 2.698 245 F HA 0.120 4.643 4.527 -0.007 0.000 0.295 245 F C 2.040 177.732 175.800 -0.180 0.000 1.124 245 F CA -0.002 57.886 58.000 -0.186 0.000 1.426 245 F CB -0.824 38.042 39.000 -0.223 0.000 1.120 245 F HN 0.468 nan 8.300 nan 0.000 0.583 246 N N 0.082 118.831 118.700 0.082 0.000 2.120 246 N HA -0.156 4.580 4.740 -0.007 0.000 0.188 246 N C 0.149 175.795 175.510 0.226 0.000 1.024 246 N CA 1.279 54.419 53.050 0.151 0.000 0.852 246 N CB -0.031 38.648 38.487 0.321 0.000 1.003 246 N HN 0.314 nan 8.380 nan 0.000 0.424 247 H N -2.090 117.072 119.070 0.154 0.000 2.974 247 H HA 0.370 4.922 4.556 -0.007 0.000 0.366 247 H C -0.330 175.094 175.328 0.159 0.000 1.155 247 H CA -1.084 55.059 56.048 0.158 0.000 1.186 247 H CB 0.129 29.984 29.762 0.155 0.000 1.799 247 H HN 0.234 nan 8.280 nan 0.000 0.541 248 C N 1.280 120.653 119.300 0.121 0.000 2.478 248 C HA 0.934 5.389 4.460 -0.007 0.000 0.379 248 C C 1.197 176.209 174.990 0.037 0.000 1.470 248 C CA 0.119 59.122 59.018 -0.025 0.000 2.066 248 C CB 0.517 28.065 27.740 -0.319 0.000 2.001 248 C HN 1.002 nan 8.230 nan 0.000 0.550 249 G N -1.542 107.273 108.800 0.024 0.000 2.522 249 G HA2 0.394 4.350 3.960 -0.007 0.000 0.304 249 G HA3 0.394 4.350 3.960 -0.007 0.000 0.304 249 G C -0.265 174.716 174.900 0.135 0.000 1.210 249 G CA -0.289 44.881 45.100 0.117 0.000 0.960 249 G HN 0.938 nan 8.290 nan 0.000 0.497 250 Y N -0.575 119.743 120.300 0.031 0.000 2.314 250 Y HA 0.009 4.555 4.550 -0.007 0.000 0.293 250 Y C 2.397 178.393 175.900 0.159 0.000 1.129 250 Y CA 1.728 59.858 58.100 0.050 0.000 1.201 250 Y CB 0.298 38.767 38.460 0.015 0.000 0.999 250 Y HN 0.569 nan 8.280 nan 0.000 0.541 251 E N -0.247 120.048 120.200 0.159 0.000 2.359 251 E HA -0.020 4.326 4.350 -0.007 0.000 0.187 251 E C -0.683 175.995 176.600 0.130 0.000 1.081 251 E CA -0.367 56.077 56.400 0.073 0.000 0.929 251 E CB -0.375 29.388 29.700 0.106 0.000 1.086 251 E HN 0.193 nan 8.360 nan 0.000 0.462 252 F N 1.287 121.249 119.950 0.020 0.000 2.444 252 F HA 0.276 4.799 4.527 -0.007 0.000 0.360 252 F C 1.284 177.086 175.800 0.004 0.000 1.106 252 F CA -0.732 57.302 58.000 0.057 0.000 1.170 252 F CB 0.433 39.517 39.000 0.141 0.000 1.113 252 F HN -0.017 nan 8.300 nan 0.000 0.521 253 A N 7.589 130.130 122.820 -0.466 0.000 1.883 253 A HA -0.259 4.057 4.320 -0.007 0.000 0.222 253 A C -0.489 176.657 177.584 -0.729 0.000 1.339 253 A CA 2.474 54.184 52.037 -0.545 0.000 0.692 253 A CB -2.278 16.408 19.000 -0.524 0.000 0.845 253 A HN 0.709 nan 8.150 nan 0.000 0.467 254 P HA -0.155 nan 4.420 nan 0.000 0.218 254 P C 1.316 178.415 177.300 -0.335 0.000 1.146 254 P CA 1.360 63.617 63.100 -1.404 0.000 0.813 254 P CB -0.113 30.605 31.700 -1.637 0.000 0.778 255 F N 0.071 119.962 119.950 -0.099 0.000 2.335 255 F HA -0.065 4.457 4.527 -0.007 0.000 0.296 255 F C 2.108 177.828 175.800 -0.134 0.000 1.091 255 F CA 1.173 59.148 58.000 -0.042 0.000 1.399 255 F CB -0.468 38.390 39.000 -0.236 0.000 1.067 255 F HN -0.206 nan 8.300 nan 0.000 0.520 256 Q N 0.171 119.804 119.800 -0.279 0.000 2.170 256 Q HA -0.208 4.128 4.340 -0.007 0.000 0.203 256 Q C 1.839 177.718 176.000 -0.202 0.000 0.976 256 Q CA 1.616 57.228 55.803 -0.318 0.000 0.858 256 Q CB -0.683 27.904 28.738 -0.252 0.000 0.907 256 Q HN 0.461 nan 8.270 nan 0.000 0.433 257 D N -0.003 120.274 120.400 -0.204 0.000 2.103 257 D HA -0.092 4.543 4.640 -0.007 0.000 0.199 257 D C 1.882 178.157 176.300 -0.043 0.000 0.978 257 D CA 0.643 54.579 54.000 -0.107 0.000 0.829 257 D CB 0.201 40.943 40.800 -0.097 0.000 0.981 257 D HN 0.015 nan 8.370 nan 0.000 0.464 258 V N 0.676 120.575 119.914 -0.024 0.000 2.594 258 V HA -0.160 3.956 4.120 -0.007 0.000 0.253 258 V C 2.170 178.243 176.094 -0.035 0.000 1.069 258 V CA 1.211 63.550 62.300 0.065 0.000 1.082 258 V CB -0.502 31.480 31.823 0.266 0.000 0.680 258 V HN 0.424 nan 8.190 nan 0.000 0.469 259 W N 1.049 122.108 121.300 -0.402 0.000 2.453 259 W HA -0.066 4.590 4.660 -0.008 0.000 0.289 259 W C 2.342 178.760 176.519 -0.167 0.000 1.215 259 W CA 1.770 58.899 57.345 -0.360 0.000 1.297 259 W CB 0.070 29.199 29.460 -0.552 0.000 1.113 259 W HN 0.239 nan 8.180 nan 0.000 0.551 260 K N 0.480 120.917 120.400 0.062 0.000 1.995 260 K HA -0.154 4.162 4.320 -0.007 0.000 0.207 260 K C 1.558 178.133 176.600 -0.042 0.000 1.041 260 K CA 1.910 58.213 56.287 0.026 0.000 0.942 260 K CB -0.380 32.135 32.500 0.024 0.000 0.731 260 K HN -0.068 nan 8.250 nan 0.000 0.439 261 N N -0.094 118.577 118.700 -0.048 0.000 2.457 261 N HA 0.064 4.800 4.740 -0.007 0.000 0.180 261 N C 0.709 176.150 175.510 -0.116 0.000 1.050 261 N CA 0.834 53.840 53.050 -0.073 0.000 0.906 261 N CB 0.364 38.811 38.487 -0.067 0.000 0.968 261 N HN 0.498 nan 8.380 nan 0.000 0.445 262 G N 1.357 110.096 108.800 -0.101 0.000 2.574 262 G HA2 -0.446 3.510 3.960 -0.007 0.000 0.286 262 G HA3 -0.446 3.510 3.960 -0.007 0.000 0.286 262 G C 0.697 175.332 174.900 -0.442 0.000 1.212 262 G CA 0.423 45.449 45.100 -0.123 0.000 0.979 262 G HN 0.326 nan 8.290 nan 0.000 0.557 263 E N 0.295 119.881 120.200 -1.023 0.000 2.393 263 E HA -0.064 4.282 4.350 -0.007 0.000 0.201 263 E C 2.544 178.776 176.600 -0.613 0.000 1.025 263 E CA 1.645 57.147 56.400 -1.496 0.000 0.856 263 E CB -0.266 28.716 29.700 -1.196 0.000 0.771 263 E HN 0.386 nan 8.360 nan 0.000 0.526 264 S N -0.308 115.171 115.700 -0.368 0.000 2.362 264 S HA -0.050 4.416 4.470 -0.007 0.000 0.221 264 S C 0.870 175.370 174.600 -0.167 0.000 1.032 264 S CA 0.236 58.307 58.200 -0.214 0.000 0.973 264 S CB 0.048 63.157 63.200 -0.151 0.000 0.849 264 S HN 0.221 nan 8.310 nan 0.000 0.465 265 S N 2.292 117.909 115.700 -0.139 0.000 2.715 265 S HA -0.103 4.362 4.470 -0.007 0.000 0.318 265 S C 1.080 175.626 174.600 -0.089 0.000 1.242 265 S CA 0.003 58.165 58.200 -0.063 0.000 1.044 265 S CB 0.250 63.466 63.200 0.027 0.000 0.760 265 S HN 0.524 nan 8.310 nan 0.000 0.501 266 K N 3.892 124.184 120.400 -0.180 0.000 2.611 266 K HA -0.019 4.297 4.320 -0.007 0.000 0.193 266 K C 0.101 176.422 176.600 -0.465 0.000 1.026 266 K CA 0.994 57.099 56.287 -0.303 0.000 1.063 266 K CB -0.112 32.153 32.500 -0.393 0.000 0.839 266 K HN 0.705 nan 8.250 nan 0.000 0.505 267 Y N 1.681 121.850 120.300 -0.218 0.000 2.481 267 Y HA 0.133 4.679 4.550 -0.007 0.000 0.247 267 Y C 1.599 177.445 175.900 -0.091 0.000 1.151 267 Y CA -0.550 57.307 58.100 -0.405 0.000 1.238 267 Y CB 0.620 38.729 38.460 -0.585 0.000 1.179 267 Y HN 0.086 nan 8.280 nan 0.000 0.524 268 K N -0.007 120.503 120.400 0.183 0.000 2.107 268 K HA -0.301 4.014 4.320 -0.007 0.000 0.211 268 K C 1.221 177.991 176.600 0.285 0.000 1.049 268 K CA 2.433 58.929 56.287 0.348 0.000 0.927 268 K CB -0.395 32.297 32.500 0.320 0.000 0.714 268 K HN 0.172 nan 8.250 nan 0.000 0.452 269 D N -0.297 120.220 120.400 0.194 0.000 2.277 269 D HA -0.080 4.555 4.640 -0.007 0.000 0.208 269 D C 1.127 177.457 176.300 0.050 0.000 0.962 269 D CA 0.441 54.513 54.000 0.121 0.000 0.865 269 D CB -0.047 40.808 40.800 0.093 0.000 0.939 269 D HN 0.346 nan 8.370 nan 0.000 0.510 270 W N -0.134 120.974 121.300 -0.320 0.000 2.424 270 W HA 0.025 4.681 4.660 -0.008 0.000 0.264 270 W C 0.213 176.343 176.519 -0.648 0.000 1.229 270 W CA 0.452 57.468 57.345 -0.548 0.000 1.208 270 W CB -0.410 28.583 29.460 -0.778 0.000 1.127 270 W HN -0.081 nan 8.180 nan 0.000 0.588 271 F N -2.670 117.451 119.950 0.284 0.000 2.746 271 F HA 0.345 4.867 4.527 -0.007 0.000 0.378 271 F C 0.656 176.425 175.800 -0.051 0.000 1.165 271 F CA -1.719 56.395 58.000 0.190 0.000 1.089 271 F CB -0.023 39.182 39.000 0.341 0.000 1.439 271 F HN -0.326 nan 8.300 nan 0.000 0.516 272 H N 1.504 120.800 119.070 0.376 0.000 2.369 272 H HA 0.425 4.976 4.556 -0.007 0.000 0.228 272 H C -0.755 174.572 175.328 -0.001 0.000 1.548 272 H CA -0.031 56.094 56.048 0.127 0.000 1.275 272 H CB 0.010 29.846 29.762 0.124 0.000 1.549 272 H HN 0.192 nan 8.280 nan 0.000 0.542 273 I N 1.644 122.240 120.570 0.044 0.000 2.365 273 I HA 0.037 4.203 4.170 -0.007 0.000 0.291 273 I C 1.331 177.278 176.117 -0.285 0.000 1.004 273 I CA -0.407 60.848 61.300 -0.076 0.000 1.311 273 I CB 1.292 39.174 38.000 -0.196 0.000 1.401 273 I HN 0.472 nan 8.210 nan 0.000 0.491 274 H N 4.676 123.754 119.070 0.014 0.000 2.451 274 H HA 0.134 4.686 4.556 -0.006 0.000 0.294 274 H C -0.086 175.212 175.328 -0.051 0.000 1.028 274 H CA 0.567 56.621 56.048 0.009 0.000 1.349 274 H CB 0.572 30.362 29.762 0.048 0.000 1.444 274 H HN 0.665 nan 8.280 nan 0.000 0.538 275 E N -0.103 120.085 120.200 -0.019 0.000 2.352 275 E HA 0.363 4.709 4.350 -0.007 0.000 0.280 275 E C -1.687 174.817 176.600 -0.160 0.000 0.930 275 E CA -0.684 55.693 56.400 -0.039 0.000 0.765 275 E CB 1.577 31.313 29.700 0.059 0.000 1.219 275 E HN -0.174 nan 8.360 nan 0.000 0.434 276 F N 1.858 121.846 119.950 0.063 0.000 2.425 276 F HA 0.503 5.026 4.527 -0.007 0.000 0.331 276 F C -1.553 174.241 175.800 -0.010 0.000 1.085 276 F CA -1.490 56.521 58.000 0.018 0.000 1.028 276 F CB 0.944 39.947 39.000 0.005 0.000 1.177 276 F HN 0.426 nan 8.300 nan 0.000 0.487 277 P HA 0.418 nan 4.420 nan 0.000 0.284 277 P C -0.967 176.313 177.300 -0.034 0.000 1.287 277 P CA -0.588 62.599 63.100 0.144 0.000 0.824 277 P CB 1.105 32.796 31.700 -0.015 0.000 1.180 278 L N 0.440 121.560 121.223 -0.171 0.000 2.483 278 L HA 0.100 4.435 4.340 -0.007 0.000 0.275 278 L C 0.987 177.668 176.870 -0.315 0.000 1.220 278 L CA 0.335 55.040 54.840 -0.224 0.000 0.833 278 L CB -0.285 41.539 42.059 -0.392 0.000 1.102 278 L HN 0.576 nan 8.230 nan 0.000 0.490 279 Q N 0.060 119.905 119.800 0.075 0.000 2.885 279 Q HA 0.632 4.968 4.340 -0.007 0.000 0.353 279 Q C -0.404 175.843 176.000 0.413 0.000 0.784 279 Q CA -0.250 55.651 55.803 0.165 0.000 0.840 279 Q CB 1.502 30.294 28.738 0.091 0.000 1.306 279 Q HN 0.494 nan 8.270 nan 0.000 0.510 280 T N -4.113 110.610 114.554 0.282 0.000 4.053 280 T HA 0.140 4.485 4.350 -0.007 0.000 0.310 280 T C -0.015 174.753 174.700 0.114 0.000 0.887 280 T CA 0.304 62.539 62.100 0.225 0.000 0.831 280 T CB -0.326 68.730 68.868 0.314 0.000 1.144 280 T HN 0.424 nan 8.240 nan 0.000 0.735 281 E N 3.443 123.699 120.200 0.093 0.000 1.992 281 E HA -0.005 4.340 4.350 -0.007 0.000 0.202 281 E C -0.343 176.263 176.600 0.010 0.000 1.007 281 E CA 1.625 58.055 56.400 0.049 0.000 0.857 281 E CB -1.610 28.115 29.700 0.043 0.000 0.796 281 E HN 0.436 nan 8.360 nan 0.000 0.486 282 P HA -0.075 nan 4.420 nan 0.000 0.216 282 P C -0.039 177.217 177.300 -0.072 0.000 1.153 282 P CA 1.341 64.415 63.100 -0.043 0.000 0.848 282 P CB 0.407 32.080 31.700 -0.045 0.000 0.787 283 R N -2.363 118.102 120.500 -0.059 0.000 2.753 283 R HA 0.337 4.673 4.340 -0.007 0.000 0.272 283 R C -3.033 173.232 176.300 -0.059 0.000 1.034 283 R CA -1.837 54.213 56.100 -0.083 0.000 0.869 283 R CB 1.171 31.382 30.300 -0.148 0.000 1.264 283 R HN -0.151 nan 8.270 nan 0.000 0.481 284 P HA 0.001 nan 4.420 nan 0.000 0.269 284 P C -0.388 176.805 177.300 -0.178 0.000 1.215 284 P CA -0.076 62.877 63.100 -0.246 0.000 0.780 284 P CB 0.466 31.731 31.700 -0.725 0.000 0.898 285 N N 1.946 120.647 118.700 0.002 0.000 2.451 285 N HA 0.049 4.785 4.740 -0.007 0.000 0.264 285 N C -0.967 174.775 175.510 0.386 0.000 1.167 285 N CA -0.340 52.802 53.050 0.154 0.000 0.898 285 N CB -0.496 38.086 38.487 0.159 0.000 1.176 285 N HN 0.443 nan 8.380 nan 0.000 0.507 286 Y N -3.076 117.421 120.300 0.329 0.000 2.558 286 Y HA 0.462 5.008 4.550 -0.006 0.000 0.333 286 Y C -0.947 175.141 175.900 0.313 0.000 1.125 286 Y CA -1.457 56.844 58.100 0.335 0.000 1.039 286 Y CB 0.498 39.130 38.460 0.286 0.000 1.331 286 Y HN -0.242 nan 8.280 nan 0.000 0.456 287 D N 2.520 123.167 120.400 0.411 0.000 2.443 287 D HA 0.303 4.939 4.640 -0.007 0.000 0.239 287 D C 0.142 176.563 176.300 0.203 0.000 1.136 287 D CA 1.000 55.143 54.000 0.239 0.000 0.879 287 D CB 1.580 42.480 40.800 0.166 0.000 1.195 287 D HN 0.809 nan 8.370 nan 0.000 0.443 288 T N -1.520 113.061 114.554 0.045 0.000 2.838 288 T HA 0.414 4.760 4.350 -0.007 0.000 0.292 288 T C -0.364 174.288 174.700 -0.080 0.000 1.113 288 T CA -0.994 61.127 62.100 0.036 0.000 1.008 288 T CB 0.959 69.817 68.868 -0.015 0.000 1.259 288 T HN 0.161 nan 8.240 nan 0.000 0.520 289 F N 2.507 122.313 119.950 -0.240 0.000 2.472 289 F HA 0.523 5.046 4.527 -0.006 0.000 0.364 289 F C 1.041 176.621 175.800 -0.365 0.000 1.090 289 F CA 0.415 58.173 58.000 -0.403 0.000 1.188 289 F CB -0.727 37.802 39.000 -0.784 0.000 1.105 289 F HN 1.305 nan 8.300 nan 0.000 0.536 290 A N 4.995 127.096 122.820 -1.198 0.000 5.295 290 A HA -0.325 3.990 4.320 -0.007 0.000 0.313 290 A C 0.172 177.114 177.584 -1.070 0.000 1.912 290 A CA 1.670 52.965 52.037 -1.237 0.000 0.714 290 A CB -1.784 16.467 19.000 -1.249 0.000 1.319 290 A HN 0.963 nan 8.150 nan 0.000 0.375 291 F N -0.605 119.158 119.950 -0.313 0.000 2.623 291 F HA 0.486 5.008 4.527 -0.007 0.000 0.361 291 F C -0.177 175.538 175.800 -0.142 0.000 1.469 291 F CA -0.327 57.553 58.000 -0.199 0.000 1.126 291 F CB 1.592 40.490 39.000 -0.170 0.000 1.221 291 F HN 0.320 nan 8.300 nan 0.000 0.536 292 V N 1.818 121.721 119.914 -0.020 0.000 2.294 292 V HA 0.185 4.301 4.120 -0.007 0.000 0.272 292 V C -1.700 174.432 176.094 0.062 0.000 1.027 292 V CA -1.571 60.752 62.300 0.039 0.000 0.823 292 V CB 1.306 33.181 31.823 0.086 0.000 1.030 292 V HN 0.108 nan 8.190 nan 0.000 0.457 293 P HA -0.186 nan 4.420 nan 0.000 0.216 293 P C 1.153 178.555 177.300 0.171 0.000 1.153 293 P CA 1.162 64.335 63.100 0.121 0.000 0.858 293 P CB 0.179 31.928 31.700 0.082 0.000 0.789 294 Q N -1.662 118.180 119.800 0.071 0.000 2.515 294 Q HA 0.094 4.430 4.340 -0.007 0.000 0.214 294 Q C 0.609 176.700 176.000 0.151 0.000 0.971 294 Q CA 0.785 56.639 55.803 0.085 0.000 0.952 294 Q CB -0.574 28.192 28.738 0.048 0.000 0.999 294 Q HN 0.332 nan 8.270 nan 0.000 0.524 295 M N 1.821 121.508 119.600 0.146 0.000 2.389 295 M HA 0.278 4.754 4.480 -0.007 0.000 0.206 295 M C -2.577 173.811 176.300 0.146 0.000 0.976 295 M CA -1.766 53.639 55.300 0.174 0.000 0.648 295 M CB 1.796 34.506 32.600 0.183 0.000 1.474 295 M HN -0.180 nan 8.290 nan 0.000 0.398 296 P HA 0.071 nan 4.420 nan 0.000 0.276 296 P C -0.886 176.518 177.300 0.173 0.000 1.235 296 P CA -0.059 63.055 63.100 0.022 0.000 0.772 296 P CB 0.832 32.072 31.700 -0.766 0.000 0.871 297 K N 4.055 124.636 120.400 0.300 0.000 2.368 297 K HA 0.170 4.486 4.320 -0.007 0.000 0.282 297 K C -0.112 176.803 176.600 0.525 0.000 1.035 297 K CA -0.384 56.118 56.287 0.359 0.000 0.973 297 K CB 0.078 32.712 32.500 0.224 0.000 0.957 297 K HN 0.454 nan 8.250 nan 0.000 0.474 298 L N 3.198 124.676 121.223 0.425 0.000 2.418 298 L HA 0.109 4.445 4.340 -0.007 0.000 0.265 298 L C 0.524 177.577 176.870 0.305 0.000 1.143 298 L CA -0.534 54.540 54.840 0.390 0.000 0.809 298 L CB 0.594 42.759 42.059 0.176 0.000 1.124 298 L HN 0.664 nan 8.230 nan 0.000 0.456 299 N N 0.187 118.938 118.700 0.085 0.000 2.949 299 N HA 0.037 4.773 4.740 -0.007 0.000 0.243 299 N C 0.822 176.233 175.510 -0.165 0.000 1.113 299 N CA -0.350 52.645 53.050 -0.092 0.000 0.980 299 N CB 0.546 38.812 38.487 -0.368 0.000 1.256 299 N HN 0.621 nan 8.380 nan 0.000 0.508 300 T N -1.088 113.356 114.554 -0.182 0.000 3.139 300 T HA -0.046 4.300 4.350 -0.007 0.000 0.267 300 T C 1.375 175.969 174.700 -0.177 0.000 1.164 300 T CA 0.795 62.686 62.100 -0.349 0.000 1.075 300 T CB -0.092 68.345 68.868 -0.718 0.000 0.904 300 T HN 0.342 nan 8.240 nan 0.000 0.540 301 A N 1.633 124.384 122.820 -0.115 0.000 1.997 301 A HA 0.177 4.493 4.320 -0.007 0.000 0.212 301 A C 1.354 178.885 177.584 -0.089 0.000 1.178 301 A CA -0.151 51.851 52.037 -0.058 0.000 0.698 301 A CB -0.284 18.702 19.000 -0.024 0.000 0.842 301 A HN 0.540 nan 8.150 nan 0.000 0.458 302 N N 1.356 119.960 118.700 -0.160 0.000 2.440 302 N HA 0.022 4.757 4.740 -0.007 0.000 0.265 302 N C -1.698 173.686 175.510 -0.210 0.000 1.239 302 N CA -1.123 51.808 53.050 -0.198 0.000 0.909 302 N CB 1.175 39.474 38.487 -0.314 0.000 1.066 302 N HN 0.096 nan 8.380 nan 0.000 0.474 303 P HA -0.132 nan 4.420 nan 0.000 0.221 303 P C 0.454 177.672 177.300 -0.136 0.000 1.145 303 P CA 1.346 64.388 63.100 -0.097 0.000 0.795 303 P CB 0.469 32.140 31.700 -0.049 0.000 0.775 304 E N -0.307 119.751 120.200 -0.236 0.000 2.051 304 E HA -0.058 4.288 4.350 -0.007 0.000 0.189 304 E C 2.186 178.445 176.600 -0.569 0.000 0.979 304 E CA 0.664 56.906 56.400 -0.264 0.000 0.803 304 E CB -0.419 29.210 29.700 -0.119 0.000 0.761 304 E HN 0.018 nan 8.360 nan 0.000 0.451 305 V N 1.896 121.225 119.914 -0.975 0.000 2.295 305 V HA -0.292 3.824 4.120 -0.007 0.000 0.246 305 V C 2.392 178.280 176.094 -0.343 0.000 1.049 305 V CA 1.965 63.721 62.300 -0.907 0.000 1.024 305 V CB -0.416 30.960 31.823 -0.745 0.000 0.648 305 V HN 0.192 nan 8.190 nan 0.000 0.447 306 K N -0.028 120.243 120.400 -0.215 0.000 2.097 306 K HA -0.250 4.065 4.320 -0.007 0.000 0.206 306 K C 2.335 178.964 176.600 0.048 0.000 1.049 306 K CA 1.605 57.911 56.287 0.033 0.000 0.933 306 K CB -0.087 32.462 32.500 0.081 0.000 0.717 306 K HN 0.213 nan 8.250 nan 0.000 0.442 307 R N -0.179 120.319 120.500 -0.003 0.000 2.075 307 R HA -0.132 4.203 4.340 -0.007 0.000 0.232 307 R C 2.028 178.385 176.300 0.095 0.000 1.126 307 R CA 1.623 57.749 56.100 0.043 0.000 0.963 307 R CB -0.931 29.399 30.300 0.049 0.000 0.858 307 R HN 0.384 nan 8.270 nan 0.000 0.435 308 Y N 0.495 120.776 120.300 -0.031 0.000 2.070 308 Y HA -0.207 4.338 4.550 -0.007 0.000 0.279 308 Y C 1.804 177.685 175.900 -0.031 0.000 1.134 308 Y CA 2.216 60.358 58.100 0.069 0.000 1.113 308 Y CB -0.329 38.201 38.460 0.116 0.000 0.981 308 Y HN 0.023 nan 8.280 nan 0.000 0.487 309 L N -0.074 121.013 121.223 -0.225 0.000 2.043 309 L HA -0.299 4.037 4.340 -0.007 0.000 0.212 309 L C 2.473 179.102 176.870 -0.401 0.000 1.075 309 L CA 1.429 55.848 54.840 -0.701 0.000 0.752 309 L CB -0.748 40.798 42.059 -0.854 0.000 0.891 309 L HN 0.371 nan 8.230 nan 0.000 0.432 310 L N -0.677 120.497 121.223 -0.082 0.000 2.141 310 L HA -0.203 4.132 4.340 -0.007 0.000 0.209 310 L C 2.205 179.109 176.870 0.056 0.000 1.094 310 L CA 0.903 55.755 54.840 0.019 0.000 0.763 310 L CB -0.562 41.496 42.059 -0.001 0.000 0.908 310 L HN 0.300 nan 8.230 nan 0.000 0.437 311 D N -0.360 120.067 120.400 0.046 0.000 2.117 311 D HA -0.129 4.506 4.640 -0.007 0.000 0.198 311 D C 2.346 178.790 176.300 0.240 0.000 0.982 311 D CA 1.052 55.152 54.000 0.167 0.000 0.828 311 D CB -0.074 40.855 40.800 0.215 0.000 0.967 311 D HN 0.092 nan 8.370 nan 0.000 0.464 312 V N 1.680 121.574 119.914 -0.033 0.000 2.343 312 V HA -0.250 3.866 4.120 -0.007 0.000 0.247 312 V C 2.565 178.936 176.094 0.463 0.000 1.051 312 V CA 1.750 63.968 62.300 -0.136 0.000 1.036 312 V CB -0.813 30.747 31.823 -0.439 0.000 0.654 312 V HN 0.162 nan 8.190 nan 0.000 0.451 313 A N 0.996 124.045 122.820 0.382 0.000 1.859 313 A HA -0.278 4.038 4.320 -0.007 0.000 0.217 313 A C 2.483 180.501 177.584 0.723 0.000 1.198 313 A CA 3.010 55.372 52.037 0.541 0.000 0.629 313 A CB -1.150 18.051 19.000 0.335 0.000 0.830 313 A HN 0.631 nan 8.150 nan 0.000 0.446 314 T N -3.910 110.899 114.554 0.425 0.000 2.985 314 T HA -0.099 4.247 4.350 -0.007 0.000 0.266 314 T C 1.759 176.664 174.700 0.341 0.000 1.076 314 T CA 1.255 63.557 62.100 0.337 0.000 1.135 314 T CB -0.506 68.477 68.868 0.191 0.000 0.890 314 T HN 0.441 nan 8.240 nan 0.000 0.480 315 Y N 1.633 122.089 120.300 0.259 0.000 2.030 315 Y HA -0.208 4.338 4.550 -0.007 0.000 0.274 315 Y C 1.944 177.935 175.900 0.152 0.000 1.153 315 Y CA 1.154 59.332 58.100 0.131 0.000 1.115 315 Y CB -0.922 37.581 38.460 0.072 0.000 0.969 315 Y HN 0.231 nan 8.280 nan 0.000 0.488 316 W N 0.347 121.795 121.300 0.247 0.000 2.364 316 W HA -0.188 4.468 4.660 -0.007 0.000 0.281 316 W C 2.392 179.004 176.519 0.155 0.000 1.219 316 W CA 1.350 58.819 57.345 0.206 0.000 1.220 316 W CB -0.545 29.133 29.460 0.364 0.000 1.127 316 W HN 0.121 nan 8.180 nan 0.000 0.556 317 I N -0.129 120.646 120.570 0.341 0.000 2.193 317 I HA -0.250 3.916 4.170 -0.007 0.000 0.240 317 I C 2.703 178.880 176.117 0.099 0.000 1.084 317 I CA 1.301 62.721 61.300 0.199 0.000 1.365 317 I CB -0.587 37.538 38.000 0.209 0.000 1.064 317 I HN -0.099 nan 8.210 nan 0.000 0.410 318 R N 0.435 120.963 120.500 0.047 0.000 2.080 318 R HA -0.209 4.127 4.340 -0.007 0.000 0.236 318 R C 2.228 178.438 176.300 -0.150 0.000 1.137 318 R CA 1.653 57.731 56.100 -0.036 0.000 0.943 318 R CB -0.170 30.113 30.300 -0.028 0.000 0.846 318 R HN 0.203 nan 8.270 nan 0.000 0.431 319 E N -1.033 118.977 120.200 -0.318 0.000 2.216 319 E HA -0.056 4.290 4.350 -0.007 0.000 0.192 319 E C 0.835 176.937 176.600 -0.829 0.000 0.988 319 E CA 1.062 57.089 56.400 -0.621 0.000 0.834 319 E CB 0.242 29.353 29.700 -0.982 0.000 0.772 319 E HN 0.255 nan 8.360 nan 0.000 0.479 320 F N -1.017 118.900 119.950 -0.054 0.000 2.767 320 F HA 0.217 4.739 4.527 -0.007 0.000 0.323 320 F C 0.114 175.945 175.800 0.053 0.000 1.091 320 F CA -0.245 57.779 58.000 0.040 0.000 1.192 320 F CB 0.713 39.802 39.000 0.148 0.000 1.056 320 F HN -0.232 nan 8.300 nan 0.000 0.571 321 D N 2.594 123.096 120.400 0.170 0.000 2.705 321 D HA -0.205 4.431 4.640 -0.007 0.000 0.240 321 D C 0.084 176.497 176.300 0.188 0.000 1.137 321 D CA 0.470 54.561 54.000 0.151 0.000 0.677 321 D CB -0.980 39.903 40.800 0.139 0.000 1.049 321 D HN 0.487 nan 8.370 nan 0.000 0.427 322 I N -3.076 117.578 120.570 0.140 0.000 2.882 322 I HA 0.267 4.433 4.170 -0.007 0.000 0.286 322 I C 0.831 176.993 176.117 0.074 0.000 1.139 322 I CA -0.258 61.081 61.300 0.066 0.000 1.379 322 I CB 0.697 38.644 38.000 -0.089 0.000 1.410 322 I HN -0.199 nan 8.210 nan 0.000 0.594 323 D N 2.466 122.945 120.400 0.131 0.000 2.349 323 D HA 0.378 5.014 4.640 -0.007 0.000 0.214 323 D C 0.383 176.922 176.300 0.399 0.000 1.063 323 D CA 0.263 54.384 54.000 0.202 0.000 0.847 323 D CB 0.833 41.680 40.800 0.078 0.000 0.933 323 D HN 0.898 nan 8.370 nan 0.000 0.513 324 G N -0.335 108.606 108.800 0.235 0.000 2.519 324 G HA2 0.368 4.323 3.960 -0.007 0.000 0.292 324 G HA3 0.368 4.323 3.960 -0.007 0.000 0.292 324 G C -2.070 172.851 174.900 0.034 0.000 1.507 324 G CA -1.082 44.185 45.100 0.279 0.000 0.806 324 G HN 0.042 nan 8.290 nan 0.000 0.523 325 W N 1.109 122.484 121.300 0.125 0.000 2.600 325 W HA 0.631 5.286 4.660 -0.007 0.000 0.325 325 W C 0.328 176.713 176.519 -0.224 0.000 1.034 325 W CA -1.045 56.325 57.345 0.041 0.000 1.226 325 W CB 2.115 31.728 29.460 0.254 0.000 1.379 325 W HN 0.336 nan 8.180 nan 0.000 0.466 326 R N 4.707 125.215 120.500 0.014 0.000 2.233 326 R HA 0.297 4.633 4.340 -0.007 0.000 0.334 326 R C -1.231 174.904 176.300 -0.275 0.000 1.037 326 R CA -0.632 55.247 56.100 -0.367 0.000 0.920 326 R CB 0.238 30.230 30.300 -0.513 0.000 1.137 326 R HN 0.619 nan 8.270 nan 0.000 0.492 327 L N 4.427 125.381 121.223 -0.448 0.000 2.401 327 L HA 0.154 4.489 4.340 -0.007 0.000 0.283 327 L C 0.439 177.104 176.870 -0.342 0.000 1.151 327 L CA -0.258 54.316 54.840 -0.442 0.000 0.942 327 L CB 0.166 41.854 42.059 -0.617 0.000 1.283 327 L HN 0.437 nan 8.230 nan 0.000 0.442 328 D N 2.247 122.540 120.400 -0.178 0.000 2.533 328 D HA 0.012 4.648 4.640 -0.007 0.000 0.236 328 D C 0.870 177.154 176.300 -0.026 0.000 1.137 328 D CA 0.355 54.326 54.000 -0.047 0.000 0.867 328 D CB 0.733 41.592 40.800 0.099 0.000 1.170 328 D HN 0.318 nan 8.370 nan 0.000 0.474 329 V N 2.646 122.541 119.914 -0.032 0.000 4.766 329 V HA -0.345 3.771 4.120 -0.007 0.000 0.260 329 V C 1.828 177.956 176.094 0.057 0.000 0.542 329 V CA 1.063 63.379 62.300 0.027 0.000 0.766 329 V CB -2.566 29.332 31.823 0.125 0.000 0.697 329 V HN 0.740 nan 8.190 nan 0.000 1.171 330 A N 1.217 123.998 122.820 -0.064 0.000 1.986 330 A HA -0.271 4.044 4.320 -0.007 0.000 0.220 330 A C 1.926 179.628 177.584 0.197 0.000 1.171 330 A CA 2.272 54.361 52.037 0.087 0.000 0.640 330 A CB -0.696 17.939 19.000 -0.607 0.000 0.811 330 A HN 1.087 nan 8.150 nan 0.000 0.451 331 N N -0.692 117.909 118.700 -0.166 0.000 2.443 331 N HA -0.154 4.581 4.740 -0.007 0.000 0.184 331 N C 1.128 176.751 175.510 0.188 0.000 1.037 331 N CA 1.128 54.058 53.050 -0.200 0.000 0.896 331 N CB -0.243 38.002 38.487 -0.403 0.000 0.959 331 N HN 0.635 nan 8.380 nan 0.000 0.442 332 E N 0.044 120.356 120.200 0.187 0.000 2.465 332 E HA 0.229 4.575 4.350 -0.007 0.000 0.191 332 E C -0.025 176.665 176.600 0.149 0.000 1.053 332 E CA -0.136 56.367 56.400 0.172 0.000 0.869 332 E CB 0.386 30.165 29.700 0.131 0.000 0.977 332 E HN 0.443 nan 8.360 nan 0.000 0.483 333 I N 1.792 122.483 120.570 0.203 0.000 2.676 333 I HA 0.086 4.252 4.170 -0.007 0.000 0.309 333 I C 0.451 176.568 176.117 -0.001 0.000 0.990 333 I CA -1.060 60.221 61.300 -0.032 0.000 1.168 333 I CB 1.136 38.947 38.000 -0.316 0.000 1.343 333 I HN -0.006 nan 8.210 nan 0.000 0.482 334 D N 1.941 122.263 120.400 -0.131 0.000 2.344 334 D HA 0.045 4.681 4.640 -0.007 0.000 0.244 334 D C 0.317 176.616 176.300 -0.003 0.000 1.134 334 D CA -0.259 53.732 54.000 -0.015 0.000 0.930 334 D CB 1.089 41.908 40.800 0.032 0.000 1.175 334 D HN 0.562 nan 8.370 nan 0.000 0.437 335 H N -0.244 118.960 119.070 0.224 0.000 2.423 335 H HA -0.088 4.464 4.556 -0.007 0.000 0.297 335 H C 1.884 177.312 175.328 0.167 0.000 1.075 335 H CA 1.379 57.578 56.048 0.252 0.000 1.342 335 H CB 0.251 30.074 29.762 0.102 0.000 1.395 335 H HN 0.605 nan 8.280 nan 0.000 0.530 336 E N 0.101 120.431 120.200 0.216 0.000 2.118 336 E HA -0.215 4.131 4.350 -0.007 0.000 0.195 336 E C 1.584 178.257 176.600 0.122 0.000 0.992 336 E CA 0.987 57.473 56.400 0.143 0.000 0.804 336 E CB -0.076 29.688 29.700 0.106 0.000 0.741 336 E HN 0.476 nan 8.360 nan 0.000 0.458 337 F N -0.710 119.194 119.950 -0.077 0.000 2.163 337 F HA -0.074 4.448 4.527 -0.007 0.000 0.297 337 F C 1.554 177.342 175.800 -0.021 0.000 1.094 337 F CA 1.201 59.108 58.000 -0.155 0.000 1.290 337 F CB -0.387 38.374 39.000 -0.398 0.000 1.017 337 F HN 0.059 nan 8.300 nan 0.000 0.483 338 W N 0.851 122.251 121.300 0.168 0.000 2.392 338 W HA -0.097 4.558 4.660 -0.008 0.000 0.279 338 W C 2.427 178.931 176.519 -0.025 0.000 1.225 338 W CA 0.377 57.722 57.345 -0.000 0.000 1.233 338 W CB -0.192 29.215 29.460 -0.088 0.000 1.122 338 W HN -0.135 nan 8.180 nan 0.000 0.561 339 R N 0.365 120.992 120.500 0.211 0.000 2.073 339 R HA -0.091 4.245 4.340 -0.007 0.000 0.229 339 R C 1.851 178.186 176.300 0.059 0.000 1.120 339 R CA 1.137 57.309 56.100 0.119 0.000 0.967 339 R CB -0.540 29.816 30.300 0.093 0.000 0.862 339 R HN 0.331 nan 8.270 nan 0.000 0.436 340 E N 0.329 120.524 120.200 -0.008 0.000 2.047 340 E HA -0.193 4.152 4.350 -0.007 0.000 0.191 340 E C 1.787 178.342 176.600 -0.076 0.000 0.987 340 E CA 1.022 57.380 56.400 -0.070 0.000 0.799 340 E CB -0.228 29.387 29.700 -0.141 0.000 0.752 340 E HN 0.158 nan 8.360 nan 0.000 0.449 341 F N 2.184 121.954 119.950 -0.300 0.000 2.085 341 F HA -0.315 4.208 4.527 -0.007 0.000 0.299 341 F C 2.517 178.321 175.800 0.006 0.000 1.096 341 F CA 2.041 59.928 58.000 -0.188 0.000 1.227 341 F CB -0.087 38.875 39.000 -0.063 0.000 0.983 341 F HN -0.155 nan 8.300 nan 0.000 0.482 342 R N 0.054 120.648 120.500 0.158 0.000 2.062 342 R HA -0.186 4.150 4.340 -0.007 0.000 0.231 342 R C 2.341 178.625 176.300 -0.028 0.000 1.136 342 R CA 1.970 58.111 56.100 0.069 0.000 0.948 342 R CB -0.520 29.847 30.300 0.111 0.000 0.845 342 R HN 0.427 nan 8.270 nan 0.000 0.430 343 Q N 0.082 119.874 119.800 -0.013 0.000 2.096 343 Q HA -0.241 4.094 4.340 -0.007 0.000 0.208 343 Q C 2.068 178.041 176.000 -0.044 0.000 0.993 343 Q CA 2.280 58.070 55.803 -0.021 0.000 0.862 343 Q CB -0.086 28.643 28.738 -0.015 0.000 0.915 343 Q HN 0.505 nan 8.270 nan 0.000 0.416 344 E N -0.352 119.797 120.200 -0.085 0.000 2.028 344 E HA -0.140 4.206 4.350 -0.007 0.000 0.190 344 E C 2.178 178.722 176.600 -0.093 0.000 0.984 344 E CA 1.133 57.482 56.400 -0.085 0.000 0.800 344 E CB 0.054 29.694 29.700 -0.100 0.000 0.758 344 E HN 0.113 nan 8.360 nan 0.000 0.448 345 V N 2.107 121.898 119.914 -0.206 0.000 2.219 345 V HA -0.298 3.817 4.120 -0.007 0.000 0.248 345 V C 2.236 178.322 176.094 -0.013 0.000 1.053 345 V CA 1.773 63.992 62.300 -0.135 0.000 1.009 345 V CB -0.455 31.195 31.823 -0.288 0.000 0.636 345 V HN 0.192 nan 8.190 nan 0.000 0.445 346 K N 0.147 120.542 120.400 -0.009 0.000 2.160 346 K HA -0.158 4.158 4.320 -0.007 0.000 0.206 346 K C 2.213 178.828 176.600 0.025 0.000 1.047 346 K CA 1.593 57.898 56.287 0.029 0.000 0.930 346 K CB -0.827 31.687 32.500 0.024 0.000 0.720 346 K HN 0.528 nan 8.250 nan 0.000 0.450 347 A N 1.431 124.256 122.820 0.008 0.000 1.877 347 A HA -0.153 4.163 4.320 -0.007 0.000 0.216 347 A C 2.221 179.819 177.584 0.022 0.000 1.186 347 A CA 1.232 53.276 52.037 0.012 0.000 0.620 347 A CB -0.584 18.418 19.000 0.003 0.000 0.822 347 A HN 0.217 nan 8.150 nan 0.000 0.443 348 L N -1.147 120.093 121.223 0.027 0.000 2.046 348 L HA 0.053 4.389 4.340 -0.007 0.000 0.208 348 L C 0.980 177.878 176.870 0.047 0.000 1.077 348 L CA 2.178 57.042 54.840 0.040 0.000 0.747 348 L CB -0.158 41.935 42.059 0.057 0.000 0.896 348 L HN 0.408 nan 8.230 nan 0.000 0.432 349 K N -1.611 118.825 120.400 0.059 0.000 2.761 349 K HA 0.237 4.553 4.320 -0.007 0.000 0.257 349 K C -2.216 174.437 176.600 0.089 0.000 1.053 349 K CA -1.235 55.094 56.287 0.069 0.000 1.035 349 K CB 1.487 34.036 32.500 0.081 0.000 1.267 349 K HN -0.195 nan 8.250 nan 0.000 0.505 350 P HA -0.162 nan 4.420 nan 0.000 0.218 350 P C -0.187 177.193 177.300 0.133 0.000 1.146 350 P CA 1.166 64.315 63.100 0.083 0.000 0.820 350 P CB 0.237 31.974 31.700 0.060 0.000 0.778 351 D N -1.518 118.987 120.400 0.175 0.000 2.491 351 D HA 0.087 4.723 4.640 -0.007 0.000 0.228 351 D C -0.135 176.443 176.300 0.463 0.000 1.183 351 D CA 0.008 54.200 54.000 0.319 0.000 0.827 351 D CB -0.090 40.893 40.800 0.305 0.000 0.989 351 D HN -0.027 nan 8.370 nan 0.000 0.494 352 V N 1.338 121.457 119.914 0.341 0.000 2.607 352 V HA 0.052 4.167 4.120 -0.007 0.000 0.289 352 V C -0.132 176.244 176.094 0.469 0.000 1.053 352 V CA -0.755 61.782 62.300 0.396 0.000 0.996 352 V CB 0.976 32.965 31.823 0.277 0.000 0.995 352 V HN 0.091 nan 8.190 nan 0.000 0.476 353 Y N 5.426 125.953 120.300 0.379 0.000 2.477 353 Y HA 0.477 5.023 4.550 -0.007 0.000 0.349 353 Y C 0.177 176.188 175.900 0.186 0.000 0.977 353 Y CA -1.379 56.852 58.100 0.218 0.000 1.214 353 Y CB 0.493 39.087 38.460 0.222 0.000 1.124 353 Y HN 0.527 nan 8.280 nan 0.000 0.521 354 I N 8.396 129.033 120.570 0.111 0.000 2.256 354 I HA 0.084 4.250 4.170 -0.007 0.000 0.294 354 I C -0.760 175.184 176.117 -0.288 0.000 1.127 354 I CA -0.542 60.831 61.300 0.122 0.000 1.247 354 I CB 0.242 38.486 38.000 0.407 0.000 1.460 354 I HN 0.406 nan 8.210 nan 0.000 0.511 355 L N 6.795 127.619 121.223 -0.666 0.000 2.255 355 L HA 0.616 4.952 4.340 -0.007 0.000 0.289 355 L C 0.446 176.715 176.870 -1.001 0.000 1.046 355 L CA 0.021 54.265 54.840 -0.994 0.000 0.816 355 L CB 0.841 42.098 42.059 -1.336 0.000 1.197 355 L HN 0.441 nan 8.230 nan 0.000 0.427 356 G N 4.056 112.054 108.800 -1.335 0.000 2.338 356 G HA2 0.229 4.185 3.960 -0.007 0.000 0.298 356 G HA3 0.229 4.185 3.960 -0.007 0.000 0.298 356 G C -0.728 173.554 174.900 -1.031 0.000 1.140 356 G CA -0.468 43.567 45.100 -1.775 0.000 0.860 356 G HN 0.697 nan 8.290 nan 0.000 0.470 357 Q N 2.483 121.831 119.800 -0.754 0.000 2.423 357 Q HA 0.285 4.620 4.340 -0.007 0.000 0.235 357 Q C -0.693 175.083 176.000 -0.372 0.000 1.100 357 Q CA 0.031 55.574 55.803 -0.433 0.000 0.908 357 Q CB 0.157 28.754 28.738 -0.235 0.000 1.312 357 Q HN 0.463 nan 8.270 nan 0.000 0.497 358 I N 3.227 123.576 120.570 -0.368 0.000 2.439 358 I HA 0.144 4.309 4.170 -0.007 0.000 0.285 358 I C -0.132 175.857 176.117 -0.214 0.000 1.021 358 I CA -0.701 60.333 61.300 -0.443 0.000 1.091 358 I CB 1.341 38.918 38.000 -0.706 0.000 1.242 358 I HN 0.649 nan 8.210 nan 0.000 0.439 359 W N 8.173 129.232 121.300 -0.402 0.000 3.221 359 W HA 0.188 4.844 4.660 -0.006 0.000 0.436 359 W C 0.007 176.468 176.519 -0.096 0.000 0.913 359 W CA 0.379 57.542 57.345 -0.304 0.000 2.004 359 W CB -0.390 28.772 29.460 -0.496 0.000 1.007 359 W HN 0.667 nan 8.180 nan 0.000 0.838 360 H N -1.836 117.370 119.070 0.228 0.000 2.849 360 H HA 0.009 4.561 4.556 -0.007 0.000 0.271 360 H C -1.119 174.349 175.328 0.234 0.000 1.461 360 H CA -0.883 55.296 56.048 0.217 0.000 1.146 360 H CB 0.097 29.964 29.762 0.174 0.000 1.834 360 H HN -0.191 nan 8.280 nan 0.000 0.555 361 D N 0.385 121.078 120.400 0.488 0.000 2.554 361 D HA 0.133 4.768 4.640 -0.007 0.000 0.251 361 D C 0.592 177.249 176.300 0.595 0.000 1.213 361 D CA 0.922 55.182 54.000 0.433 0.000 0.900 361 D CB 0.302 41.293 40.800 0.319 0.000 1.135 361 D HN 0.651 nan 8.370 nan 0.000 0.522 362 A N 4.465 127.635 122.820 0.585 0.000 2.465 362 A HA 0.069 4.385 4.320 -0.007 0.000 0.255 362 A C 1.768 179.752 177.584 0.667 0.000 1.274 362 A CA -0.153 52.281 52.037 0.663 0.000 0.920 362 A CB -0.226 18.977 19.000 0.340 0.000 1.033 362 A HN 0.614 nan 8.150 nan 0.000 0.516 363 M N 1.202 121.165 119.600 0.605 0.000 2.128 363 M HA -0.146 4.329 4.480 -0.007 0.000 0.253 363 M C -1.166 175.284 176.300 0.250 0.000 1.079 363 M CA 2.183 57.735 55.300 0.419 0.000 1.082 363 M CB -1.134 31.667 32.600 0.335 0.000 1.335 363 M HN 0.177 nan 8.290 nan 0.000 0.401 364 P HA -0.145 nan 4.420 nan 0.000 0.218 364 P C 0.845 178.030 177.300 -0.191 0.000 1.149 364 P CA 1.357 64.345 63.100 -0.186 0.000 0.817 364 P CB -0.305 31.063 31.700 -0.554 0.000 0.785 365 W N -1.577 119.889 121.300 0.277 0.000 3.278 365 W HA 0.296 4.951 4.660 -0.008 0.000 0.308 365 W C 0.408 177.047 176.519 0.199 0.000 1.253 365 W CA 0.169 57.675 57.345 0.269 0.000 1.759 365 W CB 0.087 29.775 29.460 0.380 0.000 1.093 365 W HN -0.059 nan 8.180 nan 0.000 0.648 366 L N 0.523 121.946 121.223 0.333 0.000 3.141 366 L HA 0.279 4.615 4.340 -0.007 0.000 0.263 366 L C 1.491 178.498 176.870 0.228 0.000 1.312 366 L CA -0.011 54.984 54.840 0.259 0.000 1.012 366 L CB 0.021 42.087 42.059 0.010 0.000 1.408 366 L HN -0.201 nan 8.230 nan 0.000 0.559 367 R N -0.099 120.547 120.500 0.243 0.000 2.312 367 R HA 0.240 4.576 4.340 -0.007 0.000 0.205 367 R C 1.421 177.920 176.300 0.332 0.000 0.904 367 R CA 0.658 56.894 56.100 0.227 0.000 1.052 367 R CB 0.618 30.992 30.300 0.124 0.000 1.014 367 R HN 0.497 nan 8.270 nan 0.000 0.503 368 G N 1.282 110.296 108.800 0.357 0.000 2.284 368 G HA2 -0.221 3.734 3.960 -0.007 0.000 0.201 368 G HA3 -0.221 3.734 3.960 -0.007 0.000 0.201 368 G C 0.451 175.369 174.900 0.030 0.000 0.998 368 G CA 0.208 45.397 45.100 0.147 0.000 0.651 368 G HN 0.464 nan 8.290 nan 0.000 0.489 369 D N 0.239 120.678 120.400 0.065 0.000 2.340 369 D HA 0.205 4.840 4.640 -0.007 0.000 0.217 369 D C 1.215 177.535 176.300 0.033 0.000 1.081 369 D CA 0.690 54.714 54.000 0.040 0.000 0.842 369 D CB 0.269 41.096 40.800 0.045 0.000 0.934 369 D HN 0.607 nan 8.370 nan 0.000 0.511 370 Q N -0.847 118.960 119.800 0.011 0.000 1.906 370 Q HA 0.248 4.584 4.340 -0.007 0.000 0.173 370 Q C -0.493 175.404 176.000 -0.171 0.000 0.547 370 Q CA -0.634 55.103 55.803 -0.110 0.000 0.613 370 Q CB 0.463 29.103 28.738 -0.162 0.000 1.757 370 Q HN -0.012 nan 8.270 nan 0.000 0.235 371 F N 2.256 122.246 119.950 0.068 0.000 2.382 371 F HA 0.135 4.657 4.527 -0.008 0.000 0.331 371 F C 1.072 176.877 175.800 0.008 0.000 1.121 371 F CA -0.318 57.658 58.000 -0.040 0.000 1.183 371 F CB 0.397 39.298 39.000 -0.164 0.000 1.207 371 F HN 0.254 nan 8.300 nan 0.000 0.555 372 D N 0.656 121.153 120.400 0.162 0.000 2.333 372 D HA 0.333 4.969 4.640 -0.007 0.000 0.208 372 D C 0.400 176.852 176.300 0.252 0.000 0.984 372 D CA 0.712 54.786 54.000 0.124 0.000 0.873 372 D CB 0.449 41.328 40.800 0.131 0.000 0.935 372 D HN 0.471 nan 8.370 nan 0.000 0.521 373 A N -0.413 122.437 122.820 0.049 0.000 2.490 373 A HA 0.529 4.844 4.320 -0.007 0.000 0.292 373 A C -1.483 175.932 177.584 -0.281 0.000 1.047 373 A CA -0.570 51.432 52.037 -0.058 0.000 0.632 373 A CB 0.819 19.832 19.000 0.022 0.000 1.323 373 A HN 0.058 nan 8.150 nan 0.000 0.448 374 V N -2.211 117.539 119.914 -0.274 0.000 3.007 374 V HA 0.775 4.891 4.120 -0.007 0.000 0.311 374 V C -0.105 175.800 176.094 -0.315 0.000 1.120 374 V CA -1.015 61.057 62.300 -0.380 0.000 0.980 374 V CB 1.803 33.458 31.823 -0.280 0.000 1.033 374 V HN 0.939 nan 8.190 nan 0.000 0.429 375 M N 3.549 122.904 119.600 -0.407 0.000 2.364 375 M HA 0.230 4.706 4.480 -0.007 0.000 0.342 375 M C 0.300 176.362 176.300 -0.397 0.000 1.601 375 M CA 0.221 55.269 55.300 -0.420 0.000 1.156 375 M CB -0.220 32.006 32.600 -0.624 0.000 1.912 375 M HN 0.774 nan 8.290 nan 0.000 0.460 376 N N 3.142 121.676 118.700 -0.276 0.000 2.549 376 N HA 0.023 4.759 4.740 -0.007 0.000 0.267 376 N C -0.088 175.319 175.510 -0.171 0.000 1.182 376 N CA 0.329 53.300 53.050 -0.131 0.000 1.019 376 N CB 0.051 38.511 38.487 -0.044 0.000 1.380 376 N HN 0.454 nan 8.380 nan 0.000 0.505 377 Y N 2.195 122.397 120.300 -0.164 0.000 2.337 377 Y HA 0.094 4.640 4.550 -0.007 0.000 0.293 377 Y C -0.635 175.263 175.900 -0.003 0.000 1.123 377 Y CA 0.466 58.427 58.100 -0.232 0.000 1.201 377 Y CB -0.689 37.364 38.460 -0.679 0.000 1.011 377 Y HN 0.463 nan 8.280 nan 0.000 0.545 378 P HA -0.200 nan 4.420 nan 0.000 0.220 378 P C 1.392 178.800 177.300 0.180 0.000 1.148 378 P CA 1.409 64.631 63.100 0.204 0.000 0.803 378 P CB -0.192 31.633 31.700 0.209 0.000 0.782 379 F N 0.175 120.148 119.950 0.038 0.000 2.163 379 F HA -0.144 4.379 4.527 -0.007 0.000 0.297 379 F C 1.882 177.684 175.800 0.002 0.000 1.094 379 F CA 1.610 59.612 58.000 0.003 0.000 1.290 379 F CB -1.125 37.850 39.000 -0.042 0.000 1.017 379 F HN -0.183 nan 8.300 nan 0.000 0.483 380 T N -0.156 114.522 114.554 0.206 0.000 2.720 380 T HA -0.239 4.106 4.350 -0.007 0.000 0.268 380 T C 1.393 176.088 174.700 -0.009 0.000 1.037 380 T CA 1.869 64.014 62.100 0.075 0.000 1.144 380 T CB -0.528 68.376 68.868 0.060 0.000 0.864 380 T HN 0.355 nan 8.240 nan 0.000 0.444 381 D N 0.627 121.053 120.400 0.044 0.000 2.077 381 D HA -0.003 4.633 4.640 -0.007 0.000 0.196 381 D C 2.434 178.729 176.300 -0.008 0.000 0.986 381 D CA 1.388 55.413 54.000 0.041 0.000 0.829 381 D CB -0.751 40.103 40.800 0.091 0.000 0.983 381 D HN 0.319 nan 8.370 nan 0.000 0.453 382 G N 0.181 108.973 108.800 -0.014 0.000 2.529 382 G HA2 -0.285 3.670 3.960 -0.007 0.000 0.219 382 G HA3 -0.285 3.670 3.960 -0.007 0.000 0.219 382 G C 1.817 176.749 174.900 0.054 0.000 1.177 382 G CA 1.409 46.520 45.100 0.019 0.000 0.773 382 G HN 0.310 nan 8.290 nan 0.000 0.573 383 V N 0.805 120.651 119.914 -0.113 0.000 2.343 383 V HA -0.120 3.996 4.120 -0.007 0.000 0.247 383 V C 2.903 178.924 176.094 -0.122 0.000 1.051 383 V CA 1.562 63.748 62.300 -0.190 0.000 1.036 383 V CB -0.402 31.181 31.823 -0.400 0.000 0.654 383 V HN 0.349 nan 8.190 nan 0.000 0.451 384 L N -0.702 120.462 121.223 -0.099 0.000 2.156 384 L HA -0.079 4.257 4.340 -0.007 0.000 0.208 384 L C 2.710 179.521 176.870 -0.098 0.000 1.095 384 L CA 1.254 56.047 54.840 -0.079 0.000 0.770 384 L CB -0.488 41.537 42.059 -0.056 0.000 0.914 384 L HN 0.231 nan 8.230 nan 0.000 0.439 385 R N -1.153 119.296 120.500 -0.084 0.000 2.235 385 R HA -0.116 4.220 4.340 -0.007 0.000 0.213 385 R C 1.937 178.167 176.300 -0.116 0.000 1.059 385 R CA 1.053 57.108 56.100 -0.076 0.000 0.997 385 R CB -0.057 30.223 30.300 -0.032 0.000 0.884 385 R HN 0.267 nan 8.270 nan 0.000 0.462 386 F N -0.172 119.515 119.950 -0.439 0.000 2.298 386 F HA 0.102 4.624 4.527 -0.008 0.000 0.282 386 F C 1.501 176.918 175.800 -0.639 0.000 1.045 386 F CA 0.608 58.192 58.000 -0.694 0.000 1.280 386 F CB -0.315 37.853 39.000 -1.387 0.000 1.114 386 F HN -0.255 nan 8.300 nan 0.000 0.546 387 F N 0.695 120.263 119.950 -0.637 0.000 2.149 387 F HA 0.129 4.652 4.527 -0.007 0.000 0.294 387 F C 2.507 178.073 175.800 -0.391 0.000 1.095 387 F CA 1.232 58.886 58.000 -0.577 0.000 1.276 387 F CB -1.470 37.291 39.000 -0.399 0.000 1.023 387 F HN 0.086 nan 8.300 nan 0.000 0.480 388 A N 0.677 123.431 122.820 -0.110 0.000 1.823 388 A HA -0.114 4.201 4.320 -0.007 0.000 0.214 388 A C 2.077 179.577 177.584 -0.141 0.000 1.225 388 A CA 1.369 53.331 52.037 -0.126 0.000 0.604 388 A CB -0.709 18.233 19.000 -0.096 0.000 0.878 388 A HN 0.297 nan 8.150 nan 0.000 0.450 389 K N -0.070 120.255 120.400 -0.126 0.000 2.366 389 K HA 0.015 4.331 4.320 -0.007 0.000 0.198 389 K C -0.433 176.098 176.600 -0.116 0.000 1.044 389 K CA 0.685 56.909 56.287 -0.105 0.000 0.973 389 K CB -0.040 32.412 32.500 -0.079 0.000 0.767 389 K HN 0.587 nan 8.250 nan 0.000 0.475 390 E N 0.416 120.512 120.200 -0.173 0.000 2.360 390 E HA -0.259 4.087 4.350 -0.007 0.000 0.238 390 E C -0.282 176.258 176.600 -0.101 0.000 1.186 390 E CA 0.531 56.824 56.400 -0.179 0.000 0.719 390 E CB -1.444 28.176 29.700 -0.133 0.000 1.236 390 E HN 0.520 nan 8.360 nan 0.000 0.386 391 E N -0.077 120.075 120.200 -0.080 0.000 2.479 391 E HA 0.125 4.471 4.350 -0.007 0.000 0.193 391 E C 1.052 177.635 176.600 -0.029 0.000 1.049 391 E CA 0.493 56.863 56.400 -0.049 0.000 0.870 391 E CB 0.217 29.890 29.700 -0.045 0.000 0.944 391 E HN 0.481 nan 8.360 nan 0.000 0.492 392 I N -2.518 118.050 120.570 -0.003 0.000 2.894 392 I HA 0.426 4.592 4.170 -0.007 0.000 0.302 392 I C 0.006 176.182 176.117 0.097 0.000 1.188 392 I CA -1.300 60.014 61.300 0.023 0.000 1.014 392 I CB 2.040 40.047 38.000 0.012 0.000 1.242 392 I HN -0.218 nan 8.210 nan 0.000 0.430 393 S N 2.895 118.615 115.700 0.035 0.000 2.624 393 S HA 0.548 5.013 4.470 -0.007 0.000 0.263 393 S C 1.165 175.739 174.600 -0.045 0.000 1.287 393 S CA -0.048 58.178 58.200 0.043 0.000 0.990 393 S CB 1.579 64.762 63.200 -0.028 0.000 0.950 393 S HN 1.015 nan 8.310 nan 0.000 0.561 394 A N 1.333 124.109 122.820 -0.073 0.000 1.969 394 A HA -0.080 4.235 4.320 -0.007 0.000 0.218 394 A C 2.322 179.687 177.584 -0.366 0.000 1.169 394 A CA 1.365 53.149 52.037 -0.422 0.000 0.635 394 A CB -0.838 18.081 19.000 -0.135 0.000 0.810 394 A HN 0.985 nan 8.150 nan 0.000 0.445 395 R N -0.429 119.928 120.500 -0.239 0.000 2.073 395 R HA -0.103 4.233 4.340 -0.007 0.000 0.229 395 R C 1.990 178.116 176.300 -0.291 0.000 1.120 395 R CA 1.510 57.449 56.100 -0.268 0.000 0.967 395 R CB -0.616 29.566 30.300 -0.196 0.000 0.862 395 R HN 0.557 nan 8.270 nan 0.000 0.436 396 Q N 0.174 119.840 119.800 -0.223 0.000 2.084 396 Q HA -0.162 4.173 4.340 -0.007 0.000 0.202 396 Q C 1.952 177.793 176.000 -0.265 0.000 0.978 396 Q CA 1.652 57.336 55.803 -0.198 0.000 0.844 396 Q CB -0.288 28.375 28.738 -0.123 0.000 0.898 396 Q HN 0.321 nan 8.270 nan 0.000 0.426 397 F N 1.481 121.116 119.950 -0.526 0.000 2.095 397 F HA -0.195 4.327 4.527 -0.008 0.000 0.298 397 F C 2.175 177.536 175.800 -0.732 0.000 1.104 397 F CA 1.381 58.970 58.000 -0.685 0.000 1.232 397 F CB -0.625 37.644 39.000 -1.218 0.000 0.987 397 F HN 0.001 nan 8.300 nan 0.000 0.475 398 A N 0.646 122.830 122.820 -1.059 0.000 1.908 398 A HA -0.234 4.082 4.320 -0.007 0.000 0.218 398 A C 2.135 179.236 177.584 -0.804 0.000 1.181 398 A CA 1.903 53.023 52.037 -1.528 0.000 0.627 398 A CB -0.996 17.241 19.000 -1.272 0.000 0.818 398 A HN 0.538 nan 8.150 nan 0.000 0.445 399 N N -0.237 118.180 118.700 -0.471 0.000 2.043 399 N HA -0.175 4.561 4.740 -0.007 0.000 0.193 399 N C 1.877 177.295 175.510 -0.155 0.000 1.037 399 N CA 1.510 54.425 53.050 -0.225 0.000 0.851 399 N CB -0.505 37.877 38.487 -0.174 0.000 1.027 399 N HN 0.428 nan 8.380 nan 0.000 0.422 400 Q N 0.266 119.930 119.800 -0.228 0.000 2.096 400 Q HA -0.048 4.288 4.340 -0.007 0.000 0.204 400 Q C 1.980 177.925 176.000 -0.091 0.000 0.982 400 Q CA 1.037 56.764 55.803 -0.127 0.000 0.850 400 Q CB -0.207 28.438 28.738 -0.155 0.000 0.901 400 Q HN 0.349 nan 8.270 nan 0.000 0.422 401 M N -0.519 118.899 119.600 -0.303 0.000 2.086 401 M HA -0.147 4.329 4.480 -0.007 0.000 0.261 401 M C 2.032 178.380 176.300 0.080 0.000 1.067 401 M CA 1.230 56.454 55.300 -0.128 0.000 1.116 401 M CB -0.948 31.496 32.600 -0.261 0.000 1.348 401 M HN 0.202 nan 8.290 nan 0.000 0.407 402 M N -1.235 118.410 119.600 0.075 0.000 2.202 402 M HA -0.189 4.286 4.480 -0.007 0.000 0.262 402 M C 2.128 178.559 176.300 0.217 0.000 1.063 402 M CA 1.684 57.115 55.300 0.219 0.000 1.097 402 M CB -1.775 30.976 32.600 0.251 0.000 1.382 402 M HN 0.337 nan 8.290 nan 0.000 0.413 403 H N 0.790 119.902 119.070 0.070 0.000 2.299 403 H HA -0.085 4.467 4.556 -0.007 0.000 0.302 403 H C 1.928 177.247 175.328 -0.016 0.000 1.078 403 H CA 2.486 58.572 56.048 0.065 0.000 1.323 403 H CB -0.095 29.708 29.762 0.067 0.000 1.381 403 H HN 0.168 nan 8.280 nan 0.000 0.498 404 V N -0.950 118.982 119.914 0.030 0.000 2.626 404 V HA -0.139 3.976 4.120 -0.007 0.000 0.252 404 V C 2.326 178.355 176.094 -0.108 0.000 1.067 404 V CA 1.726 63.991 62.300 -0.057 0.000 1.081 404 V CB -0.828 31.055 31.823 0.100 0.000 0.686 404 V HN 0.360 nan 8.190 nan 0.000 0.468 405 L N -0.420 120.769 121.223 -0.056 0.000 2.131 405 L HA 0.026 4.361 4.340 -0.007 0.000 0.206 405 L C 2.592 179.260 176.870 -0.337 0.000 1.087 405 L CA 1.570 56.333 54.840 -0.128 0.000 0.767 405 L CB -0.596 41.385 42.059 -0.129 0.000 0.917 405 L HN 0.352 nan 8.230 nan 0.000 0.441 406 H N -1.192 117.655 119.070 -0.372 0.000 2.555 406 H HA -0.045 4.506 4.556 -0.007 0.000 0.269 406 H C 2.338 177.344 175.328 -0.537 0.000 0.988 406 H CA 0.918 56.625 56.048 -0.567 0.000 1.178 406 H CB 0.240 29.269 29.762 -1.221 0.000 1.373 406 H HN 0.293 nan 8.280 nan 0.000 0.588 407 S N -0.425 115.020 115.700 -0.426 0.000 2.522 407 S HA -0.037 4.428 4.470 -0.007 0.000 0.227 407 S C 0.003 174.357 174.600 -0.410 0.000 0.986 407 S CA 0.174 58.090 58.200 -0.474 0.000 0.929 407 S CB 0.013 62.835 63.200 -0.630 0.000 0.769 407 S HN 0.149 nan 8.310 nan 0.000 0.529 408 Y N 0.896 121.087 120.300 -0.183 0.000 2.570 408 Y HA 0.666 5.212 4.550 -0.007 0.000 0.345 408 Y C -2.787 172.951 175.900 -0.270 0.000 1.014 408 Y CA -3.186 54.796 58.100 -0.197 0.000 1.063 408 Y CB 0.586 38.938 38.460 -0.180 0.000 1.272 408 Y HN -0.084 nan 8.280 nan 0.000 0.477 409 P HA 0.137 nan 4.420 nan 0.000 0.272 409 P C 0.195 177.267 177.300 -0.379 0.000 1.223 409 P CA -0.019 62.657 63.100 -0.707 0.000 0.784 409 P CB 0.847 31.775 31.700 -1.287 0.000 0.923 410 N N 2.056 120.705 118.700 -0.084 0.000 2.149 410 N HA -0.153 4.583 4.740 -0.007 0.000 0.188 410 N C 1.154 176.696 175.510 0.053 0.000 1.019 410 N CA 1.349 54.441 53.050 0.070 0.000 0.857 410 N CB -0.750 37.899 38.487 0.270 0.000 0.997 410 N HN 0.525 nan 8.380 nan 0.000 0.426 411 N N 0.357 119.087 118.700 0.049 0.000 2.459 411 N HA -0.047 4.689 4.740 -0.007 0.000 0.181 411 N C 1.435 176.816 175.510 -0.215 0.000 1.046 411 N CA 0.427 53.474 53.050 -0.004 0.000 0.904 411 N CB -0.592 37.871 38.487 -0.040 0.000 0.964 411 N HN 0.068 nan 8.380 nan 0.000 0.444 412 V N 1.207 120.817 119.914 -0.506 0.000 2.535 412 V HA -0.051 4.065 4.120 -0.007 0.000 0.246 412 V C 1.819 177.730 176.094 -0.306 0.000 1.045 412 V CA 1.002 62.895 62.300 -0.679 0.000 1.058 412 V CB -0.514 30.794 31.823 -0.860 0.000 0.689 412 V HN 0.288 nan 8.190 nan 0.000 0.461 413 N N 0.331 118.908 118.700 -0.205 0.000 2.381 413 N HA -0.150 4.586 4.740 -0.007 0.000 0.182 413 N C 1.708 177.165 175.510 -0.089 0.000 1.025 413 N CA 0.943 53.928 53.050 -0.108 0.000 0.888 413 N CB -0.057 38.375 38.487 -0.091 0.000 0.965 413 N HN 0.591 nan 8.380 nan 0.000 0.438 414 E N 0.184 120.343 120.200 -0.067 0.000 2.338 414 E HA 0.017 4.363 4.350 -0.007 0.000 0.197 414 E C 0.824 177.410 176.600 -0.024 0.000 1.007 414 E CA 0.501 56.879 56.400 -0.036 0.000 0.849 414 E CB 0.159 29.869 29.700 0.016 0.000 0.774 414 E HN 0.288 nan 8.360 nan 0.000 0.506 415 A N 0.323 123.150 122.820 0.012 0.000 2.564 415 A HA 0.517 4.833 4.320 -0.007 0.000 0.279 415 A C 0.482 178.132 177.584 0.110 0.000 1.232 415 A CA -0.163 51.910 52.037 0.060 0.000 0.950 415 A CB 0.430 19.529 19.000 0.164 0.000 1.138 415 A HN 0.151 nan 8.150 nan 0.000 0.526 416 A N -0.224 122.611 122.820 0.025 0.000 2.477 416 A HA 0.471 4.787 4.320 -0.007 0.000 0.246 416 A C -0.360 177.241 177.584 0.028 0.000 1.078 416 A CA -0.012 52.032 52.037 0.011 0.000 0.770 416 A CB -0.369 18.613 19.000 -0.029 0.000 1.011 416 A HN 0.515 nan 8.150 nan 0.000 0.494 417 F N 3.620 123.482 119.950 -0.147 0.000 2.464 417 F HA 0.187 4.710 4.527 -0.007 0.000 0.353 417 F C 0.022 175.632 175.800 -0.317 0.000 1.191 417 F CA -0.517 57.358 58.000 -0.208 0.000 1.147 417 F CB 0.236 39.049 39.000 -0.312 0.000 1.294 417 F HN 0.518 nan 8.300 nan 0.000 0.583 418 N N 8.093 126.478 118.700 -0.525 0.000 2.462 418 N HA 0.271 5.007 4.740 -0.007 0.000 0.242 418 N C -0.681 174.487 175.510 -0.571 0.000 1.010 418 N CA -0.225 52.388 53.050 -0.729 0.000 0.939 418 N CB 1.223 39.081 38.487 -1.048 0.000 1.127 418 N HN 0.598 nan 8.380 nan 0.000 0.509 419 L N -1.352 119.641 121.223 -0.383 0.000 2.319 419 L HA 0.626 4.962 4.340 -0.007 0.000 0.267 419 L C 0.230 177.063 176.870 -0.061 0.000 1.011 419 L CA -0.933 53.769 54.840 -0.231 0.000 0.818 419 L CB 1.605 43.532 42.059 -0.221 0.000 1.316 419 L HN 0.199 nan 8.230 nan 0.000 0.432 420 L N 0.801 121.981 121.223 -0.072 0.000 2.609 420 L HA 0.532 4.868 4.340 -0.007 0.000 0.230 420 L C 0.774 177.582 176.870 -0.104 0.000 1.087 420 L CA 0.391 55.195 54.840 -0.060 0.000 0.874 420 L CB 0.637 42.601 42.059 -0.158 0.000 1.114 420 L HN 0.945 nan 8.230 nan 0.000 0.488 421 G N -0.668 108.049 108.800 -0.139 0.000 2.601 421 G HA2 0.494 4.449 3.960 -0.007 0.000 0.291 421 G HA3 0.494 4.449 3.960 -0.007 0.000 0.291 421 G C -1.368 173.330 174.900 -0.336 0.000 1.456 421 G CA 0.242 45.224 45.100 -0.198 0.000 0.804 421 G HN -0.028 nan 8.290 nan 0.000 0.499 422 S N -1.403 113.992 115.700 -0.508 0.000 2.752 422 S HA 0.492 4.958 4.470 -0.007 0.000 0.284 422 S C 0.870 175.017 174.600 -0.754 0.000 1.189 422 S CA 0.174 58.007 58.200 -0.611 0.000 0.835 422 S CB 1.025 64.157 63.200 -0.114 0.000 1.192 422 S HN 1.455 nan 8.310 nan 0.000 0.506 423 H N 0.133 118.898 119.070 -0.508 0.000 2.545 423 H HA 0.170 4.722 4.556 -0.007 0.000 0.282 423 H C -0.071 175.165 175.328 -0.153 0.000 1.020 423 H CA 1.150 57.057 56.048 -0.235 0.000 1.243 423 H CB -0.575 29.176 29.762 -0.018 0.000 1.377 423 H HN 0.607 nan 8.280 nan 0.000 0.581 424 D N 1.350 121.491 120.400 -0.431 0.000 2.363 424 D HA 0.070 4.706 4.640 -0.007 0.000 0.214 424 D C 0.552 176.816 176.300 -0.060 0.000 1.093 424 D CA 0.516 54.360 54.000 -0.259 0.000 0.837 424 D CB 0.859 41.548 40.800 -0.185 0.000 0.948 424 D HN 0.563 nan 8.370 nan 0.000 0.507 425 T N -2.440 112.052 114.554 -0.103 0.000 2.865 425 T HA 0.471 4.817 4.350 -0.007 0.000 0.294 425 T C 0.187 174.827 174.700 -0.099 0.000 1.119 425 T CA -0.743 61.329 62.100 -0.048 0.000 1.007 425 T CB 2.017 70.884 68.868 -0.002 0.000 1.225 425 T HN -0.084 nan 8.240 nan 0.000 0.515 426 S N 0.830 116.492 115.700 -0.063 0.000 2.614 426 S HA 0.458 4.924 4.470 -0.007 0.000 0.265 426 S C 0.173 174.734 174.600 -0.066 0.000 1.303 426 S CA -1.052 57.112 58.200 -0.060 0.000 1.000 426 S CB 0.106 63.279 63.200 -0.045 0.000 0.935 426 S HN 0.739 nan 8.310 nan 0.000 0.551 427 R N 1.372 121.846 120.500 -0.043 0.000 2.449 427 R HA 0.128 4.463 4.340 -0.007 0.000 0.296 427 R C 1.675 177.952 176.300 -0.038 0.000 1.047 427 R CA -0.040 56.046 56.100 -0.024 0.000 1.018 427 R CB -0.124 30.164 30.300 -0.019 0.000 0.962 427 R HN 0.885 nan 8.270 nan 0.000 0.428 428 I N 0.443 120.987 120.570 -0.042 0.000 2.315 428 I HA -0.304 3.862 4.170 -0.007 0.000 0.251 428 I C 1.814 177.901 176.117 -0.051 0.000 1.125 428 I CA 1.288 62.550 61.300 -0.063 0.000 1.392 428 I CB -0.329 37.609 38.000 -0.102 0.000 1.065 428 I HN 0.352 nan 8.210 nan 0.000 0.424 429 L N 1.568 122.775 121.223 -0.026 0.000 2.093 429 L HA -0.104 4.232 4.340 -0.007 0.000 0.208 429 L C 2.431 179.276 176.870 -0.042 0.000 1.085 429 L CA 2.249 57.073 54.840 -0.026 0.000 0.755 429 L CB -1.091 40.963 42.059 -0.007 0.000 0.904 429 L HN 0.245 nan 8.230 nan 0.000 0.435 430 T N -1.254 113.277 114.554 -0.039 0.000 2.821 430 T HA -0.109 4.236 4.350 -0.007 0.000 0.267 430 T C 1.976 176.647 174.700 -0.049 0.000 1.046 430 T CA 1.450 63.525 62.100 -0.042 0.000 1.139 430 T CB -0.290 68.555 68.868 -0.038 0.000 0.871 430 T HN 0.197 nan 8.240 nan 0.000 0.454 431 V N 0.864 120.747 119.914 -0.053 0.000 2.407 431 V HA -0.161 3.955 4.120 -0.007 0.000 0.248 431 V C 2.513 178.564 176.094 -0.071 0.000 1.055 431 V CA 1.106 63.371 62.300 -0.058 0.000 1.049 431 V CB -0.712 31.076 31.823 -0.058 0.000 0.662 431 V HN 0.548 nan 8.190 nan 0.000 0.455 432 C N 0.998 120.251 119.300 -0.080 0.000 2.525 432 C HA 0.333 4.789 4.460 -0.007 0.000 0.279 432 C C 2.032 176.963 174.990 -0.099 0.000 1.437 432 C CA 0.334 59.288 59.018 -0.106 0.000 1.704 432 C CB -1.700 25.968 27.740 -0.119 0.000 1.672 432 C HN 0.875 nan 8.230 nan 0.000 0.582 433 G N 0.115 108.871 108.800 -0.073 0.000 2.179 433 G HA2 -0.021 3.934 3.960 -0.007 0.000 0.257 433 G HA3 -0.021 3.934 3.960 -0.007 0.000 0.257 433 G C 0.949 175.815 174.900 -0.056 0.000 1.010 433 G CA 0.659 45.722 45.100 -0.061 0.000 0.736 433 G HN 1.499 nan 8.290 nan 0.000 0.513 434 G N -1.092 107.673 108.800 -0.057 0.000 2.175 434 G HA2 -0.227 3.728 3.960 -0.007 0.000 0.244 434 G HA3 -0.227 3.728 3.960 -0.007 0.000 0.244 434 G C 0.115 174.981 174.900 -0.056 0.000 0.982 434 G CA 0.810 45.882 45.100 -0.047 0.000 0.641 434 G HN 1.179 nan 8.290 nan 0.000 0.527 435 D N 1.492 121.838 120.400 -0.089 0.000 2.402 435 D HA 0.308 4.944 4.640 -0.007 0.000 0.235 435 D C 1.993 178.223 176.300 -0.118 0.000 1.226 435 D CA -0.639 53.289 54.000 -0.119 0.000 0.918 435 D CB -0.039 40.632 40.800 -0.215 0.000 1.043 435 D HN 0.063 nan 8.370 nan 0.000 0.506 436 I N 3.761 124.291 120.570 -0.067 0.000 2.185 436 I HA -0.319 3.846 4.170 -0.007 0.000 0.246 436 I C 2.225 178.297 176.117 -0.075 0.000 1.088 436 I CA 1.165 62.437 61.300 -0.047 0.000 1.347 436 I CB -0.477 37.510 38.000 -0.021 0.000 1.041 436 I HN 0.447 nan 8.210 nan 0.000 0.415 437 R N 0.643 121.093 120.500 -0.085 0.000 2.133 437 R HA -0.214 4.121 4.340 -0.007 0.000 0.247 437 R C 2.203 178.410 176.300 -0.155 0.000 1.151 437 R CA 1.458 57.517 56.100 -0.068 0.000 0.971 437 R CB -0.351 29.956 30.300 0.012 0.000 0.866 437 R HN 0.443 nan 8.270 nan 0.000 0.447 438 K N 0.156 120.378 120.400 -0.295 0.000 2.155 438 K HA -0.030 4.286 4.320 -0.007 0.000 0.203 438 K C 2.062 178.561 176.600 -0.169 0.000 1.052 438 K CA 0.975 57.081 56.287 -0.302 0.000 0.948 438 K CB 0.086 32.353 32.500 -0.388 0.000 0.728 438 K HN 0.004 nan 8.250 nan 0.000 0.448 439 V N 2.114 121.966 119.914 -0.103 0.000 2.427 439 V HA -0.227 3.889 4.120 -0.007 0.000 0.248 439 V C 2.068 178.214 176.094 0.086 0.000 1.051 439 V CA 1.579 63.877 62.300 -0.003 0.000 1.048 439 V CB -0.380 31.496 31.823 0.089 0.000 0.666 439 V HN 0.271 nan 8.190 nan 0.000 0.456 440 K N -0.059 120.327 120.400 -0.023 0.000 2.063 440 K HA -0.154 4.162 4.320 -0.007 0.000 0.208 440 K C 2.103 178.620 176.600 -0.138 0.000 1.048 440 K CA 1.427 57.622 56.287 -0.154 0.000 0.928 440 K CB -0.373 31.845 32.500 -0.470 0.000 0.713 440 K HN 0.396 nan 8.250 nan 0.000 0.442 441 L N 0.863 121.945 121.223 -0.235 0.000 2.083 441 L HA -0.183 4.153 4.340 -0.007 0.000 0.209 441 L C 2.430 178.950 176.870 -0.584 0.000 1.083 441 L CA 0.924 55.526 54.840 -0.396 0.000 0.752 441 L CB -0.489 41.383 42.059 -0.311 0.000 0.899 441 L HN 0.178 nan 8.230 nan 0.000 0.433 442 L N -1.190 119.769 121.223 -0.439 0.000 2.017 442 L HA -0.238 4.098 4.340 -0.007 0.000 0.208 442 L C 2.554 179.286 176.870 -0.231 0.000 1.073 442 L CA 1.553 56.150 54.840 -0.406 0.000 0.745 442 L CB -0.534 41.340 42.059 -0.307 0.000 0.894 442 L HN 0.111 nan 8.230 nan 0.000 0.432 443 F N -0.674 119.221 119.950 -0.091 0.000 2.171 443 F HA -0.254 4.269 4.527 -0.007 0.000 0.300 443 F C 2.277 178.037 175.800 -0.067 0.000 1.090 443 F CA 1.025 59.002 58.000 -0.037 0.000 1.293 443 F CB -0.324 38.675 39.000 -0.002 0.000 1.013 443 F HN 0.015 nan 8.300 nan 0.000 0.486 444 L N -0.279 120.990 121.223 0.078 0.000 1.955 444 L HA -0.255 4.081 4.340 -0.007 0.000 0.213 444 L C 2.183 179.112 176.870 0.097 0.000 1.072 444 L CA 1.869 56.703 54.840 -0.009 0.000 0.755 444 L CB -1.338 40.622 42.059 -0.165 0.000 0.888 444 L HN 0.163 nan 8.230 nan 0.000 0.432 445 F N -0.047 119.869 119.950 -0.057 0.000 2.161 445 F HA -0.246 4.277 4.527 -0.007 0.000 0.300 445 F C 2.639 178.541 175.800 0.170 0.000 1.089 445 F CA 2.105 60.166 58.000 0.101 0.000 1.282 445 F CB -0.305 38.691 39.000 -0.006 0.000 1.010 445 F HN 0.388 nan 8.300 nan 0.000 0.485 446 Q N 0.280 120.195 119.800 0.191 0.000 2.046 446 Q HA -0.136 4.199 4.340 -0.007 0.000 0.200 446 Q C 1.833 177.886 176.000 0.089 0.000 0.975 446 Q CA 1.482 57.402 55.803 0.194 0.000 0.836 446 Q CB -0.259 28.556 28.738 0.128 0.000 0.896 446 Q HN 0.496 nan 8.270 nan 0.000 0.428 447 L N 1.040 122.310 121.223 0.080 0.000 2.693 447 L HA 0.029 4.365 4.340 -0.007 0.000 0.242 447 L C 1.043 177.934 176.870 0.035 0.000 1.157 447 L CA 0.769 55.641 54.840 0.052 0.000 0.929 447 L CB -0.009 42.080 42.059 0.049 0.000 1.103 447 L HN 0.340 nan 8.230 nan 0.000 0.430 448 T N -5.595 108.983 114.554 0.040 0.000 3.144 448 T HA 0.179 4.524 4.350 -0.007 0.000 0.290 448 T C -0.086 174.621 174.700 0.012 0.000 0.966 448 T CA -0.325 61.800 62.100 0.043 0.000 0.907 448 T CB -0.075 68.861 68.868 0.113 0.000 1.152 448 T HN -0.087 nan 8.240 nan 0.000 0.532 449 F N 2.932 122.753 119.950 -0.215 0.000 2.399 449 F HA 0.583 5.106 4.527 -0.007 0.000 0.334 449 F C 0.462 176.160 175.800 -0.169 0.000 1.097 449 F CA -0.584 57.261 58.000 -0.259 0.000 1.076 449 F CB 1.551 40.393 39.000 -0.263 0.000 1.162 449 F HN -0.066 nan 8.300 nan 0.000 0.495 450 T N 4.015 118.286 114.554 -0.472 0.000 2.902 450 T HA 0.512 4.858 4.350 -0.007 0.000 0.301 450 T C 0.354 174.945 174.700 -0.182 0.000 1.012 450 T CA 0.897 62.815 62.100 -0.303 0.000 1.151 450 T CB 0.183 68.832 68.868 -0.365 0.000 0.946 450 T HN 1.074 nan 8.240 nan 0.000 0.542 451 G N 1.763 110.496 108.800 -0.112 0.000 2.270 451 G HA2 0.160 4.116 3.960 -0.007 0.000 0.268 451 G HA3 0.160 4.116 3.960 -0.007 0.000 0.268 451 G C -0.602 174.254 174.900 -0.073 0.000 1.312 451 G CA -0.363 44.687 45.100 -0.083 0.000 1.050 451 G HN 0.697 nan 8.290 nan 0.000 0.474 452 S N 2.994 118.653 115.700 -0.067 0.000 2.269 452 S HA 0.629 5.094 4.470 -0.007 0.000 0.194 452 S C -1.928 172.576 174.600 -0.160 0.000 1.547 452 S CA -0.811 57.376 58.200 -0.020 0.000 1.186 452 S CB 0.738 64.009 63.200 0.118 0.000 1.069 452 S HN 0.612 nan 8.310 nan 0.000 0.473 453 P HA 0.154 nan 4.420 nan 0.000 0.271 453 P C -0.492 176.655 177.300 -0.256 0.000 1.238 453 P CA -0.284 62.667 63.100 -0.248 0.000 0.794 453 P CB 0.576 32.211 31.700 -0.109 0.000 0.959 454 C N 2.804 121.920 119.300 -0.306 0.000 2.705 454 C HA 0.531 4.987 4.460 -0.007 0.000 0.369 454 C C -0.304 174.680 174.990 -0.010 0.000 1.069 454 C CA -0.625 58.290 59.018 -0.172 0.000 1.260 454 C CB -0.829 26.574 27.740 -0.563 0.000 1.764 454 C HN 0.428 nan 8.230 nan 0.000 0.469 455 I N 5.169 125.821 120.570 0.137 0.000 2.440 455 I HA 0.285 4.451 4.170 -0.007 0.000 0.294 455 I C -0.498 175.666 176.117 0.077 0.000 0.995 455 I CA -0.494 60.905 61.300 0.164 0.000 1.306 455 I CB 0.981 39.178 38.000 0.329 0.000 1.407 455 I HN 0.626 nan 8.210 nan 0.000 0.501 456 Y N 6.968 127.210 120.300 -0.096 0.000 2.326 456 Y HA 0.255 4.801 4.550 -0.007 0.000 0.337 456 Y C -0.155 175.563 175.900 -0.304 0.000 1.023 456 Y CA -1.449 56.549 58.100 -0.170 0.000 1.143 456 Y CB 0.513 38.901 38.460 -0.121 0.000 1.183 456 Y HN 0.431 nan 8.280 nan 0.000 0.485 457 Y N 4.567 124.352 120.300 -0.860 0.000 2.944 457 Y HA 0.287 4.832 4.550 -0.007 0.000 0.340 457 Y C 1.013 176.685 175.900 -0.380 0.000 1.275 457 Y CA 0.212 57.908 58.100 -0.674 0.000 1.590 457 Y CB -0.250 37.952 38.460 -0.430 0.000 1.218 457 Y HN 0.947 nan 8.280 nan 0.000 0.576 458 G N 2.962 111.698 108.800 -0.106 0.000 2.254 458 G HA2 -0.327 3.628 3.960 -0.007 0.000 0.225 458 G HA3 -0.327 3.628 3.960 -0.007 0.000 0.225 458 G C 0.663 175.536 174.900 -0.044 0.000 1.003 458 G CA 0.233 45.239 45.100 -0.158 0.000 0.622 458 G HN 0.597 nan 8.290 nan 0.000 0.507 459 D N 1.180 121.592 120.400 0.020 0.000 2.348 459 D HA 0.052 4.688 4.640 -0.007 0.000 0.216 459 D C 2.381 178.894 176.300 0.356 0.000 0.970 459 D CA 1.236 55.357 54.000 0.202 0.000 0.889 459 D CB 0.033 40.984 40.800 0.252 0.000 0.912 459 D HN 0.755 nan 8.370 nan 0.000 0.524 460 E N 0.832 121.172 120.200 0.234 0.000 2.340 460 E HA -0.067 4.279 4.350 -0.007 0.000 0.194 460 E C 1.745 178.386 176.600 0.069 0.000 0.996 460 E CA 0.370 56.792 56.400 0.038 0.000 0.869 460 E CB -0.185 29.541 29.700 0.044 0.000 0.835 460 E HN 0.425 nan 8.360 nan 0.000 0.493 461 I N -2.839 117.816 120.570 0.142 0.000 3.976 461 I HA 0.521 4.686 4.170 -0.007 0.000 0.337 461 I C 0.913 177.068 176.117 0.064 0.000 1.359 461 I CA 0.010 61.388 61.300 0.131 0.000 1.098 461 I CB 0.592 38.664 38.000 0.119 0.000 1.027 461 I HN 0.024 nan 8.210 nan 0.000 0.394 462 G N 2.409 111.250 108.800 0.067 0.000 2.289 462 G HA2 -0.240 3.716 3.960 -0.007 0.000 0.280 462 G HA3 -0.240 3.716 3.960 -0.007 0.000 0.280 462 G C 0.009 174.910 174.900 0.001 0.000 1.089 462 G CA -0.011 45.116 45.100 0.046 0.000 0.939 462 G HN 0.391 nan 8.290 nan 0.000 0.499 463 M N 0.221 119.803 119.600 -0.030 0.000 2.167 463 M HA 0.467 4.942 4.480 -0.007 0.000 0.300 463 M C 1.299 177.565 176.300 -0.056 0.000 1.171 463 M CA 1.140 56.396 55.300 -0.073 0.000 1.171 463 M CB 0.585 33.096 32.600 -0.150 0.000 1.396 463 M HN 0.640 nan 8.290 nan 0.000 0.466 464 T N -1.462 113.055 114.554 -0.063 0.000 2.907 464 T HA 0.923 5.268 4.350 -0.007 0.000 0.290 464 T C -0.363 174.305 174.700 -0.054 0.000 1.066 464 T CA -0.382 61.689 62.100 -0.048 0.000 1.012 464 T CB 2.119 70.964 68.868 -0.038 0.000 1.184 464 T HN 1.070 nan 8.240 nan 0.000 0.522 465 G N -1.009 107.765 108.800 -0.043 0.000 2.318 465 G HA2 0.489 4.444 3.960 -0.007 0.000 0.302 465 G HA3 0.489 4.444 3.960 -0.007 0.000 0.302 465 G C -0.136 174.742 174.900 -0.037 0.000 1.633 465 G CA -0.195 44.880 45.100 -0.041 0.000 0.965 465 G HN 1.082 nan 8.290 nan 0.000 0.698 466 G N 0.042 108.821 108.800 -0.036 0.000 2.514 466 G HA2 0.461 4.416 3.960 -0.007 0.000 0.245 466 G HA3 0.461 4.416 3.960 -0.007 0.000 0.245 466 G C 0.375 175.249 174.900 -0.043 0.000 1.488 466 G CA -0.117 44.960 45.100 -0.037 0.000 1.063 466 G HN 0.759 nan 8.290 nan 0.000 0.557 467 N N 0.392 119.065 118.700 -0.045 0.000 2.483 467 N HA 0.091 4.827 4.740 -0.007 0.000 0.269 467 N C -0.094 175.382 175.510 -0.056 0.000 1.209 467 N CA -0.440 52.578 53.050 -0.054 0.000 0.969 467 N CB 0.941 39.395 38.487 -0.054 0.000 1.173 467 N HN 0.422 nan 8.380 nan 0.000 0.475 468 D N 1.541 121.899 120.400 -0.071 0.000 3.277 468 D HA -0.134 4.502 4.640 -0.007 0.000 0.203 468 D C -1.493 174.779 176.300 -0.047 0.000 1.057 468 D CA -0.297 53.661 54.000 -0.070 0.000 0.751 468 D CB 0.634 41.378 40.800 -0.094 0.000 1.155 468 D HN 0.411 nan 8.370 nan 0.000 0.536 469 P HA 0.001 nan 4.420 nan 0.000 0.245 469 P C 0.757 178.037 177.300 -0.033 0.000 1.206 469 P CA 0.347 63.432 63.100 -0.025 0.000 0.781 469 P CB 0.330 32.035 31.700 0.008 0.000 0.994 470 E N 0.237 120.417 120.200 -0.033 0.000 2.118 470 E HA -0.163 4.183 4.350 -0.007 0.000 0.195 470 E C 1.926 178.501 176.600 -0.042 0.000 0.992 470 E CA 1.766 58.144 56.400 -0.036 0.000 0.804 470 E CB -0.507 29.173 29.700 -0.033 0.000 0.741 470 E HN 0.444 nan 8.360 nan 0.000 0.458 471 C N 0.055 119.334 119.300 -0.036 0.000 2.466 471 C HA 0.097 4.553 4.460 -0.007 0.000 0.283 471 C C 1.626 176.635 174.990 0.032 0.000 1.472 471 C CA -0.345 58.674 59.018 0.003 0.000 1.765 471 C CB -1.141 26.594 27.740 -0.008 0.000 1.724 471 C HN 0.122 nan 8.230 nan 0.000 0.560 472 R N 1.045 121.525 120.500 -0.035 0.000 2.893 472 R HA 0.241 4.577 4.340 -0.007 0.000 0.317 472 R C 0.119 176.397 176.300 -0.036 0.000 1.239 472 R CA -0.099 55.971 56.100 -0.049 0.000 1.128 472 R CB 0.045 30.199 30.300 -0.244 0.000 1.377 472 R HN 0.613 nan 8.270 nan 0.000 0.583 473 K N 0.371 120.719 120.400 -0.086 0.000 2.180 473 K HA 0.156 4.471 4.320 -0.007 0.000 0.251 473 K C 0.139 176.601 176.600 -0.231 0.000 1.014 473 K CA -0.479 55.676 56.287 -0.220 0.000 0.913 473 K CB 0.771 33.154 32.500 -0.194 0.000 1.008 473 K HN 0.102 nan 8.250 nan 0.000 0.490 474 C N 1.943 120.895 119.300 -0.581 0.000 2.703 474 C HA 0.035 4.491 4.460 -0.007 0.000 0.411 474 C C 0.828 175.724 174.990 -0.156 0.000 1.290 474 C CA -0.691 57.926 59.018 -0.668 0.000 2.054 474 C CB -0.462 26.331 27.740 -1.578 0.000 2.732 474 C HN 0.728 nan 8.230 nan 0.000 0.650 475 M N 2.861 122.541 119.600 0.133 0.000 2.252 475 M HA 0.251 4.727 4.480 -0.007 0.000 0.333 475 M C -0.519 175.630 176.300 -0.252 0.000 1.111 475 M CA 0.521 55.790 55.300 -0.053 0.000 1.140 475 M CB 0.405 32.845 32.600 -0.267 0.000 1.538 475 M HN 0.474 nan 8.290 nan 0.000 0.448 476 V N 6.766 126.416 119.914 -0.440 0.000 2.333 476 V HA 0.162 4.277 4.120 -0.007 0.000 0.274 476 V C -0.364 175.418 176.094 -0.521 0.000 1.028 476 V CA -0.119 61.996 62.300 -0.309 0.000 0.851 476 V CB 0.436 32.159 31.823 -0.165 0.000 1.000 476 V HN 1.066 nan 8.190 nan 0.000 0.456 477 W N 0.924 122.177 121.300 -0.079 0.000 3.220 477 W HA 0.250 4.906 4.660 -0.007 0.000 0.328 477 W C 0.826 177.290 176.519 -0.093 0.000 1.205 477 W CA -0.464 56.781 57.345 -0.166 0.000 1.773 477 W CB 0.568 29.898 29.460 -0.217 0.000 1.086 477 W HN 0.457 nan 8.180 nan 0.000 0.622 478 D N 2.203 122.668 120.400 0.107 0.000 2.339 478 D HA 0.053 4.689 4.640 -0.007 0.000 0.241 478 D C -1.125 175.198 176.300 0.037 0.000 1.183 478 D CA -2.056 51.989 54.000 0.075 0.000 0.859 478 D CB 1.612 42.450 40.800 0.063 0.000 1.067 478 D HN -0.058 nan 8.370 nan 0.000 0.484 479 P HA -0.146 nan 4.420 nan 0.000 0.226 479 P C 1.460 178.768 177.300 0.014 0.000 1.146 479 P CA 0.585 63.695 63.100 0.018 0.000 0.773 479 P CB 0.250 31.960 31.700 0.017 0.000 0.772 480 M N -1.192 118.420 119.600 0.019 0.000 2.419 480 M HA -0.051 4.425 4.480 -0.007 0.000 0.264 480 M C 1.295 177.603 176.300 0.013 0.000 1.082 480 M CA 1.463 56.773 55.300 0.017 0.000 1.119 480 M CB 0.034 32.646 32.600 0.020 0.000 1.398 480 M HN -0.169 nan 8.290 nan 0.000 0.453 481 Q N -0.356 119.450 119.800 0.010 0.000 2.281 481 Q HA 0.204 4.539 4.340 -0.007 0.000 0.215 481 Q C -0.335 175.662 176.000 -0.006 0.000 0.867 481 Q CA 0.169 55.973 55.803 0.002 0.000 0.940 481 Q CB 0.727 29.464 28.738 -0.001 0.000 1.111 481 Q HN 0.469 nan 8.270 nan 0.000 0.513 482 Q N 0.224 120.022 119.800 -0.003 0.000 2.260 482 Q HA 0.247 4.582 4.340 -0.007 0.000 0.238 482 Q C -0.358 175.657 176.000 0.025 0.000 0.948 482 Q CA -0.440 55.367 55.803 0.006 0.000 0.895 482 Q CB 0.753 29.496 28.738 0.008 0.000 1.218 482 Q HN -0.012 nan 8.270 nan 0.000 0.470 483 N N 1.460 120.187 118.700 0.046 0.000 2.699 483 N HA 0.054 4.790 4.740 -0.007 0.000 0.232 483 N C -0.143 175.416 175.510 0.080 0.000 1.027 483 N CA 0.009 53.089 53.050 0.050 0.000 0.920 483 N CB 0.768 39.280 38.487 0.042 0.000 1.148 483 N HN 0.413 nan 8.380 nan 0.000 0.509 484 K N 1.557 121.994 120.400 0.063 0.000 2.044 484 K HA -0.181 4.134 4.320 -0.007 0.000 0.210 484 K C 1.538 178.201 176.600 0.106 0.000 1.049 484 K CA 1.298 57.631 56.287 0.076 0.000 0.927 484 K CB -0.075 32.446 32.500 0.034 0.000 0.713 484 K HN 0.625 nan 8.250 nan 0.000 0.443 485 E N 0.335 120.579 120.200 0.074 0.000 2.097 485 E HA -0.247 4.099 4.350 -0.007 0.000 0.196 485 E C 1.904 178.555 176.600 0.086 0.000 1.000 485 E CA 1.188 57.632 56.400 0.072 0.000 0.804 485 E CB -0.113 29.614 29.700 0.045 0.000 0.740 485 E HN 0.286 nan 8.360 nan 0.000 0.454 486 L N 0.540 121.804 121.223 0.070 0.000 2.044 486 L HA -0.175 4.160 4.340 -0.007 0.000 0.205 486 L C 2.807 179.699 176.870 0.037 0.000 1.075 486 L CA 1.601 56.465 54.840 0.041 0.000 0.747 486 L CB -0.660 41.409 42.059 0.017 0.000 0.903 486 L HN 0.398 nan 8.230 nan 0.000 0.435 487 H N 0.109 119.170 119.070 -0.015 0.000 2.289 487 H HA -0.223 4.328 4.556 -0.007 0.000 0.296 487 H C 2.108 177.418 175.328 -0.030 0.000 1.091 487 H CA 2.040 58.075 56.048 -0.023 0.000 1.274 487 H CB 0.168 29.956 29.762 0.044 0.000 1.364 487 H HN 0.396 nan 8.280 nan 0.000 0.490 488 Q N -0.218 119.701 119.800 0.199 0.000 2.170 488 Q HA -0.159 4.177 4.340 -0.007 0.000 0.203 488 Q C 2.326 178.363 176.000 0.061 0.000 0.976 488 Q CA 1.505 57.388 55.803 0.134 0.000 0.858 488 Q CB -0.835 27.983 28.738 0.133 0.000 0.907 488 Q HN 0.678 nan 8.270 nan 0.000 0.433 489 H N 0.708 119.755 119.070 -0.039 0.000 2.290 489 H HA -0.086 4.465 4.556 -0.007 0.000 0.298 489 H C 1.963 177.202 175.328 -0.149 0.000 1.087 489 H CA 1.943 57.956 56.048 -0.059 0.000 1.291 489 H CB -0.131 29.589 29.762 -0.069 0.000 1.369 489 H HN -0.008 nan 8.280 nan 0.000 0.492 490 V N 0.989 120.689 119.914 -0.356 0.000 2.255 490 V HA -0.282 3.833 4.120 -0.007 0.000 0.247 490 V C 2.576 178.485 176.094 -0.307 0.000 1.051 490 V CA 2.329 64.343 62.300 -0.477 0.000 1.018 490 V CB -0.684 30.763 31.823 -0.626 0.000 0.641 490 V HN 0.446 nan 8.190 nan 0.000 0.445 491 K N -0.174 120.063 120.400 -0.272 0.000 2.044 491 K HA -0.306 4.009 4.320 -0.007 0.000 0.210 491 K C 2.354 178.885 176.600 -0.115 0.000 1.049 491 K CA 2.230 58.409 56.287 -0.181 0.000 0.927 491 K CB -0.261 32.166 32.500 -0.121 0.000 0.713 491 K HN 0.515 nan 8.250 nan 0.000 0.443 492 Q N 0.337 120.079 119.800 -0.097 0.000 2.096 492 Q HA -0.169 4.167 4.340 -0.007 0.000 0.204 492 Q C 2.127 178.081 176.000 -0.076 0.000 0.982 492 Q CA 1.686 57.457 55.803 -0.054 0.000 0.850 492 Q CB -0.027 28.705 28.738 -0.010 0.000 0.901 492 Q HN 0.416 nan 8.270 nan 0.000 0.422 493 L N -0.030 121.093 121.223 -0.167 0.000 2.240 493 L HA -0.092 4.244 4.340 -0.007 0.000 0.211 493 L C 2.163 178.992 176.870 -0.069 0.000 1.106 493 L CA 0.406 55.164 54.840 -0.137 0.000 0.793 493 L CB -0.122 41.791 42.059 -0.244 0.000 0.927 493 L HN 0.285 nan 8.230 nan 0.000 0.446 494 I N -0.240 120.283 120.570 -0.079 0.000 2.676 494 I HA -0.187 3.978 4.170 -0.007 0.000 0.259 494 I C 2.613 178.714 176.117 -0.026 0.000 1.194 494 I CA 0.742 62.014 61.300 -0.047 0.000 1.473 494 I CB -0.230 37.731 38.000 -0.065 0.000 1.096 494 I HN 0.188 nan 8.210 nan 0.000 0.443 495 A N 0.913 123.721 122.820 -0.021 0.000 1.898 495 A HA -0.049 4.266 4.320 -0.007 0.000 0.214 495 A C 2.234 179.846 177.584 0.047 0.000 1.183 495 A CA 0.854 52.893 52.037 0.003 0.000 0.622 495 A CB -0.578 18.425 19.000 0.005 0.000 0.824 495 A HN 0.311 nan 8.150 nan 0.000 0.444 496 L N -0.852 120.414 121.223 0.071 0.000 2.083 496 L HA -0.173 4.163 4.340 -0.007 0.000 0.209 496 L C 2.808 179.800 176.870 0.203 0.000 1.083 496 L CA 1.662 56.603 54.840 0.169 0.000 0.752 496 L CB -0.435 41.681 42.059 0.094 0.000 0.899 496 L HN 0.453 nan 8.230 nan 0.000 0.433 497 R N 0.667 121.222 120.500 0.093 0.000 2.075 497 R HA -0.201 4.134 4.340 -0.007 0.000 0.232 497 R C 2.325 178.657 176.300 0.053 0.000 1.126 497 R CA 1.532 57.676 56.100 0.073 0.000 0.963 497 R CB -0.039 30.276 30.300 0.025 0.000 0.858 497 R HN 0.185 nan 8.270 nan 0.000 0.435 498 K N 0.155 120.569 120.400 0.023 0.000 2.147 498 K HA -0.170 4.146 4.320 -0.007 0.000 0.205 498 K C 2.124 178.704 176.600 -0.033 0.000 1.049 498 K CA 1.559 57.839 56.287 -0.010 0.000 0.936 498 K CB 0.129 32.616 32.500 -0.021 0.000 0.722 498 K HN 0.301 nan 8.250 nan 0.000 0.446 499 Q N -1.049 118.736 119.800 -0.026 0.000 2.096 499 Q HA -0.071 4.265 4.340 -0.007 0.000 0.197 499 Q C -0.243 175.532 176.000 -0.375 0.000 0.964 499 Q CA 0.912 56.600 55.803 -0.192 0.000 0.838 499 Q CB 0.253 28.868 28.738 -0.206 0.000 0.906 499 Q HN 0.229 nan 8.270 nan 0.000 0.444 500 Y N 0.089 120.377 120.300 -0.019 0.000 2.385 500 Y HA 0.232 4.777 4.550 -0.007 0.000 0.341 500 Y C 0.922 176.803 175.900 -0.032 0.000 0.965 500 Y CA -0.501 57.585 58.100 -0.024 0.000 1.180 500 Y CB 0.709 39.157 38.460 -0.020 0.000 1.139 500 Y HN -0.052 nan 8.280 nan 0.000 0.502 501 R N 0.972 121.492 120.500 0.034 0.000 2.193 501 R HA -0.157 4.179 4.340 -0.007 0.000 0.229 501 R C 1.840 178.152 176.300 0.019 0.000 1.110 501 R CA 1.562 57.668 56.100 0.011 0.000 0.988 501 R CB 0.150 30.441 30.300 -0.015 0.000 0.871 501 R HN 0.805 nan 8.270 nan 0.000 0.458 502 S N 0.199 115.930 115.700 0.052 0.000 2.371 502 S HA -0.099 4.366 4.470 -0.007 0.000 0.224 502 S C 2.040 176.634 174.600 -0.009 0.000 1.029 502 S CA 0.711 58.918 58.200 0.011 0.000 0.978 502 S CB -0.429 62.782 63.200 0.018 0.000 0.833 502 S HN 0.305 nan 8.310 nan 0.000 0.466 503 L N 1.978 123.221 121.223 0.034 0.000 2.012 503 L HA -0.156 4.180 4.340 -0.007 0.000 0.210 503 L C 3.049 179.901 176.870 -0.030 0.000 1.073 503 L CA 2.037 56.882 54.840 0.009 0.000 0.748 503 L CB -0.587 41.503 42.059 0.052 0.000 0.891 503 L HN 0.528 nan 8.230 nan 0.000 0.431 504 R N -0.221 120.267 120.500 -0.020 0.000 2.223 504 R HA 0.040 4.375 4.340 -0.007 0.000 0.198 504 R C 1.592 177.851 176.300 -0.069 0.000 0.984 504 R CA 0.396 56.468 56.100 -0.046 0.000 1.018 504 R CB -0.008 30.274 30.300 -0.030 0.000 0.945 504 R HN 0.249 nan 8.270 nan 0.000 0.479 505 R N 0.610 121.074 120.500 -0.060 0.000 2.531 505 R HA 0.222 4.558 4.340 -0.007 0.000 0.316 505 R C 0.542 176.796 176.300 -0.077 0.000 0.955 505 R CA 0.141 56.205 56.100 -0.059 0.000 1.120 505 R CB 1.530 31.816 30.300 -0.023 0.000 1.361 505 R HN 0.184 nan 8.270 nan 0.000 0.534 506 G N 0.819 109.562 108.800 -0.095 0.000 2.621 506 G HA2 0.068 4.024 3.960 -0.007 0.000 0.271 506 G HA3 0.068 4.024 3.960 -0.007 0.000 0.271 506 G C -0.771 174.025 174.900 -0.174 0.000 1.236 506 G CA -0.353 44.680 45.100 -0.112 0.000 0.958 506 G HN 0.141 nan 8.290 nan 0.000 0.512 507 E N -1.345 118.749 120.200 -0.176 0.000 2.248 507 E HA 0.519 4.865 4.350 -0.007 0.000 0.272 507 E C -0.846 175.625 176.600 -0.215 0.000 1.008 507 E CA -0.740 55.528 56.400 -0.221 0.000 0.856 507 E CB 1.497 31.065 29.700 -0.220 0.000 1.120 507 E HN 0.342 nan 8.360 nan 0.000 0.397 508 I N 2.259 122.676 120.570 -0.256 0.000 2.646 508 I HA 0.452 4.617 4.170 -0.007 0.000 0.299 508 I C -1.331 174.650 176.117 -0.226 0.000 1.036 508 I CA -0.379 60.765 61.300 -0.260 0.000 1.074 508 I CB 1.676 39.452 38.000 -0.373 0.000 1.258 508 I HN 0.709 nan 8.210 nan 0.000 0.430 509 S N 4.880 120.428 115.700 -0.253 0.000 2.537 509 S HA 0.592 5.058 4.470 -0.007 0.000 0.270 509 S C -1.273 173.191 174.600 -0.227 0.000 1.142 509 S CA -0.701 57.416 58.200 -0.139 0.000 0.870 509 S CB 1.308 64.497 63.200 -0.017 0.000 1.112 509 S HN 0.401 nan 8.310 nan 0.000 0.466 510 F N 1.547 121.584 119.950 0.145 0.000 2.411 510 F HA 0.510 5.033 4.527 -0.007 0.000 0.352 510 F C -0.017 175.879 175.800 0.161 0.000 1.123 510 F CA -0.869 57.233 58.000 0.169 0.000 1.044 510 F CB 1.232 40.282 39.000 0.082 0.000 1.135 510 F HN 0.405 nan 8.300 nan 0.000 0.461 511 L N 4.240 125.651 121.223 0.314 0.000 2.319 511 L HA 0.275 4.610 4.340 -0.007 0.000 0.280 511 L C -0.178 176.863 176.870 0.284 0.000 1.099 511 L CA -0.751 54.257 54.840 0.279 0.000 0.828 511 L CB 0.197 42.376 42.059 0.200 0.000 1.150 511 L HN 0.503 nan 8.230 nan 0.000 0.442 512 H N 2.340 121.492 119.070 0.135 0.000 3.091 512 H HA 0.228 4.780 4.556 -0.007 0.000 0.289 512 H C 0.390 175.786 175.328 0.114 0.000 0.995 512 H CA 0.261 56.375 56.048 0.110 0.000 1.461 512 H CB 0.451 30.258 29.762 0.075 0.000 1.510 512 H HN 0.731 nan 8.280 nan 0.000 0.546 513 A N 3.310 126.245 122.820 0.191 0.000 2.274 513 A HA 0.168 4.484 4.320 -0.007 0.000 0.297 513 A C 1.174 178.853 177.584 0.158 0.000 1.191 513 A CA -0.162 51.989 52.037 0.191 0.000 0.889 513 A CB 0.534 19.675 19.000 0.234 0.000 1.294 513 A HN 0.813 nan 8.150 nan 0.000 0.506 514 D N -0.314 120.186 120.400 0.167 0.000 2.084 514 D HA -0.108 4.527 4.640 -0.007 0.000 0.199 514 D C 0.045 176.379 176.300 0.056 0.000 0.981 514 D CA 0.783 54.854 54.000 0.119 0.000 0.841 514 D CB -0.493 40.392 40.800 0.143 0.000 0.997 514 D HN 0.500 nan 8.370 nan 0.000 0.454 515 D N 1.560 121.966 120.400 0.010 0.000 2.468 515 D HA -0.005 4.630 4.640 -0.007 0.000 0.218 515 D C -0.080 176.133 176.300 -0.145 0.000 1.155 515 D CA -0.093 53.797 54.000 -0.183 0.000 0.924 515 D CB 0.530 40.986 40.800 -0.573 0.000 1.029 515 D HN 0.002 nan 8.370 nan 0.000 0.515 516 E N 3.321 123.482 120.200 -0.066 0.000 2.441 516 E HA -0.058 4.288 4.350 -0.007 0.000 0.210 516 E C 0.588 177.150 176.600 -0.063 0.000 1.306 516 E CA 0.052 56.425 56.400 -0.046 0.000 1.307 516 E CB 0.407 30.085 29.700 -0.038 0.000 1.297 516 E HN 0.555 nan 8.360 nan 0.000 0.440 517 M N -0.455 119.090 119.600 -0.091 0.000 2.724 517 M HA 0.137 4.613 4.480 -0.007 0.000 0.231 517 M C 0.699 177.009 176.300 0.016 0.000 1.568 517 M CA 1.002 56.269 55.300 -0.056 0.000 1.153 517 M CB 0.656 33.198 32.600 -0.096 0.000 1.345 517 M HN -0.101 nan 8.290 nan 0.000 0.555 518 N N -1.385 117.278 118.700 -0.062 0.000 2.193 518 N HA 0.166 4.902 4.740 -0.007 0.000 0.210 518 N C -0.847 174.876 175.510 0.355 0.000 1.215 518 N CA 0.079 53.181 53.050 0.087 0.000 0.901 518 N CB 0.610 39.087 38.487 -0.016 0.000 1.060 518 N HN 0.354 nan 8.380 nan 0.000 0.508 519 Y N 1.241 121.632 120.300 0.151 0.000 2.341 519 Y HA 0.386 4.932 4.550 -0.007 0.000 0.340 519 Y C -0.218 175.813 175.900 0.218 0.000 0.997 519 Y CA -1.061 57.141 58.100 0.172 0.000 1.149 519 Y CB 1.438 39.971 38.460 0.121 0.000 1.171 519 Y HN -0.147 nan 8.280 nan 0.000 0.494 520 L N 5.603 127.102 121.223 0.459 0.000 2.325 520 L HA 0.576 4.912 4.340 -0.007 0.000 0.281 520 L C -1.382 175.749 176.870 0.435 0.000 1.004 520 L CA -0.614 54.496 54.840 0.449 0.000 0.823 520 L CB 0.977 43.374 42.059 0.563 0.000 1.236 520 L HN 0.458 nan 8.230 nan 0.000 0.415 521 I N 6.671 127.487 120.570 0.410 0.000 2.436 521 I HA 0.572 4.738 4.170 -0.007 0.000 0.289 521 I C -1.014 175.328 176.117 0.376 0.000 1.010 521 I CA -0.290 61.186 61.300 0.293 0.000 1.098 521 I CB 1.644 39.775 38.000 0.217 0.000 1.266 521 I HN 0.587 nan 8.210 nan 0.000 0.434 522 Y N 4.107 124.512 120.300 0.175 0.000 2.624 522 Y HA 0.818 5.363 4.550 -0.007 0.000 0.334 522 Y C -1.547 174.335 175.900 -0.030 0.000 1.155 522 Y CA -1.628 56.459 58.100 -0.021 0.000 1.046 522 Y CB 1.351 39.662 38.460 -0.248 0.000 1.316 522 Y HN 0.533 nan 8.280 nan 0.000 0.457 523 K N 1.045 121.493 120.400 0.079 0.000 2.508 523 K HA 0.664 4.980 4.320 -0.007 0.000 0.260 523 K C -1.680 174.929 176.600 0.015 0.000 0.949 523 K CA -1.274 55.022 56.287 0.016 0.000 0.834 523 K CB 2.611 35.102 32.500 -0.015 0.000 1.365 523 K HN 0.433 nan 8.250 nan 0.000 0.437 524 K N 1.939 122.335 120.400 -0.007 0.000 2.235 524 K HA 0.348 4.664 4.320 -0.007 0.000 0.266 524 K C -0.904 175.657 176.600 -0.065 0.000 0.980 524 K CA -0.558 55.697 56.287 -0.053 0.000 0.849 524 K CB 1.798 34.272 32.500 -0.043 0.000 1.098 524 K HN 0.931 nan 8.250 nan 0.000 0.445 525 T N -0.968 113.535 114.554 -0.085 0.000 3.011 525 T HA 0.243 4.589 4.350 -0.007 0.000 0.303 525 T C -0.496 174.153 174.700 -0.086 0.000 0.997 525 T CA -0.921 61.132 62.100 -0.078 0.000 1.007 525 T CB 0.968 69.793 68.868 -0.073 0.000 1.017 525 T HN 0.485 nan 8.240 nan 0.000 0.443 526 D N 1.905 122.264 120.400 -0.068 0.000 3.123 526 D HA 0.360 4.995 4.640 -0.007 0.000 0.305 526 D C 1.427 177.695 176.300 -0.053 0.000 1.373 526 D CA 0.018 53.980 54.000 -0.063 0.000 0.889 526 D CB -0.150 40.623 40.800 -0.044 0.000 1.070 526 D HN 1.092 nan 8.370 nan 0.000 0.494 527 G N 1.922 110.686 108.800 -0.059 0.000 4.236 527 G HA2 -0.474 3.481 3.960 -0.007 0.000 0.222 527 G HA3 -0.474 3.481 3.960 -0.007 0.000 0.222 527 G C 0.749 175.617 174.900 -0.054 0.000 1.354 527 G CA 0.799 45.870 45.100 -0.048 0.000 0.966 527 G HN 0.480 nan 8.290 nan 0.000 0.624 528 D N 1.566 121.934 120.400 -0.053 0.000 2.036 528 D HA 0.251 4.886 4.640 -0.007 0.000 0.236 528 D C 1.728 177.971 176.300 -0.094 0.000 0.976 528 D CA 1.398 55.359 54.000 -0.065 0.000 0.918 528 D CB -0.234 40.538 40.800 -0.047 0.000 1.094 528 D HN 0.898 nan 8.370 nan 0.000 0.459 529 E N -0.444 119.716 120.200 -0.066 0.000 2.405 529 E HA 0.348 4.694 4.350 -0.007 0.000 0.253 529 E C -0.822 175.726 176.600 -0.087 0.000 1.257 529 E CA -0.222 56.141 56.400 -0.062 0.000 0.960 529 E CB 0.744 30.469 29.700 0.043 0.000 1.077 529 E HN 0.007 nan 8.360 nan 0.000 0.512 530 T N 0.215 114.714 114.554 -0.091 0.000 3.705 530 T HA 0.283 4.629 4.350 -0.007 0.000 0.342 530 T C -1.296 173.349 174.700 -0.092 0.000 1.043 530 T CA -0.692 61.343 62.100 -0.109 0.000 1.071 530 T CB 1.277 70.031 68.868 -0.189 0.000 1.124 530 T HN 0.349 nan 8.240 nan 0.000 0.467 531 V N 3.951 123.814 119.914 -0.085 0.000 2.513 531 V HA 0.662 4.778 4.120 -0.007 0.000 0.299 531 V C -0.390 175.656 176.094 -0.080 0.000 1.035 531 V CA -0.864 61.368 62.300 -0.114 0.000 0.889 531 V CB 1.813 33.525 31.823 -0.185 0.000 0.988 531 V HN 0.754 nan 8.190 nan 0.000 0.440 532 L N 5.865 127.060 121.223 -0.047 0.000 2.317 532 L HA 0.780 5.115 4.340 -0.007 0.000 0.281 532 L C -0.665 176.126 176.870 -0.131 0.000 1.024 532 L CA 0.057 54.872 54.840 -0.042 0.000 0.810 532 L CB 1.851 43.964 42.059 0.090 0.000 1.240 532 L HN 0.452 nan 8.230 nan 0.000 0.427 533 V N 6.171 125.899 119.914 -0.309 0.000 2.588 533 V HA 0.527 4.643 4.120 -0.007 0.000 0.304 533 V C -0.325 175.617 176.094 -0.252 0.000 1.042 533 V CA -0.447 61.619 62.300 -0.390 0.000 0.877 533 V CB 1.735 33.074 31.823 -0.807 0.000 0.996 533 V HN 0.589 nan 8.190 nan 0.000 0.425 534 I N 5.784 126.320 120.570 -0.056 0.000 2.447 534 I HA 0.540 4.705 4.170 -0.007 0.000 0.287 534 I C -0.828 175.381 176.117 0.155 0.000 1.023 534 I CA -0.323 61.017 61.300 0.066 0.000 1.083 534 I CB 1.921 39.966 38.000 0.075 0.000 1.245 534 I HN 0.424 nan 8.210 nan 0.000 0.434 535 I N 4.906 125.632 120.570 0.260 0.000 2.603 535 I HA 0.322 4.488 4.170 -0.007 0.000 0.300 535 I C -0.298 175.986 176.117 0.279 0.000 1.017 535 I CA -0.627 60.878 61.300 0.343 0.000 1.098 535 I CB 2.136 40.460 38.000 0.541 0.000 1.279 535 I HN 0.502 nan 8.210 nan 0.000 0.437 536 N N 4.587 123.420 118.700 0.223 0.000 2.800 536 N HA 0.177 4.912 4.740 -0.007 0.000 0.240 536 N C -0.562 175.034 175.510 0.142 0.000 1.096 536 N CA -0.539 52.601 53.050 0.149 0.000 0.877 536 N CB 0.699 39.176 38.487 -0.017 0.000 1.138 536 N HN 0.420 nan 8.380 nan 0.000 0.509 537 R N 2.758 123.377 120.500 0.199 0.000 3.266 537 R HA 0.220 4.555 4.340 -0.007 0.000 0.224 537 R C -1.032 175.205 176.300 -0.106 0.000 1.525 537 R CA 0.103 56.251 56.100 0.080 0.000 1.364 537 R CB -0.650 29.590 30.300 -0.100 0.000 1.276 537 R HN 0.708 nan 8.270 nan 0.000 0.660 538 S N -0.105 115.306 115.700 -0.482 0.000 2.552 538 S HA 0.051 4.517 4.470 -0.007 0.000 0.272 538 S C -0.232 173.880 174.600 -0.815 0.000 1.150 538 S CA -1.011 56.915 58.200 -0.456 0.000 0.849 538 S CB 1.260 64.378 63.200 -0.136 0.000 1.113 538 S HN 0.400 nan 8.310 nan 0.000 0.458 539 D N 0.035 120.164 120.400 -0.452 0.000 2.352 539 D HA 0.060 4.695 4.640 -0.007 0.000 0.232 539 D C 0.586 176.797 176.300 -0.148 0.000 1.055 539 D CA 0.325 54.167 54.000 -0.262 0.000 0.891 539 D CB -0.261 40.539 40.800 0.000 0.000 0.897 539 D HN 0.745 nan 8.370 nan 0.000 0.529 540 Q N -0.077 119.634 119.800 -0.148 0.000 2.413 540 Q HA 0.296 4.632 4.340 -0.007 0.000 0.276 540 Q C -0.486 175.478 176.000 -0.060 0.000 1.099 540 Q CA -1.292 54.470 55.803 -0.069 0.000 0.814 540 Q CB 1.885 30.604 28.738 -0.032 0.000 1.379 540 Q HN 0.095 nan 8.270 nan 0.000 0.436 541 K N 0.259 120.637 120.400 -0.037 0.000 2.276 541 K HA 0.634 4.950 4.320 -0.007 0.000 0.259 541 K C -0.961 175.628 176.600 -0.017 0.000 1.001 541 K CA -0.207 56.059 56.287 -0.036 0.000 0.927 541 K CB 0.800 33.282 32.500 -0.031 0.000 0.969 541 K HN 0.666 nan 8.250 nan 0.000 0.490 542 A N 2.024 124.815 122.820 -0.049 0.000 2.574 542 A HA 0.318 4.633 4.320 -0.007 0.000 0.297 542 A C -1.896 175.615 177.584 -0.122 0.000 1.062 542 A CA -1.046 50.958 52.037 -0.055 0.000 0.686 542 A CB 1.579 20.537 19.000 -0.069 0.000 1.285 542 A HN 0.796 nan 8.150 nan 0.000 0.403 543 D N 1.747 122.100 120.400 -0.077 0.000 2.467 543 D HA 0.460 5.095 4.640 -0.007 0.000 0.220 543 D C -0.375 175.865 176.300 -0.100 0.000 1.103 543 D CA 0.271 54.226 54.000 -0.075 0.000 0.886 543 D CB 0.562 41.345 40.800 -0.028 0.000 1.025 543 D HN 0.450 nan 8.370 nan 0.000 0.514 544 I N 3.238 123.701 120.570 -0.177 0.000 2.395 544 I HA 0.248 4.414 4.170 -0.007 0.000 0.289 544 I C -2.126 173.972 176.117 -0.032 0.000 1.023 544 I CA -2.119 59.079 61.300 -0.170 0.000 1.350 544 I CB 1.211 39.032 38.000 -0.299 0.000 1.409 544 I HN 0.027 nan 8.210 nan 0.000 0.507 545 P HA 0.219 nan 4.420 nan 0.000 0.287 545 P C -0.511 176.828 177.300 0.065 0.000 1.281 545 P CA -0.380 62.747 63.100 0.045 0.000 0.781 545 P CB 0.554 32.290 31.700 0.060 0.000 0.903 546 I N 2.541 123.150 120.570 0.064 0.000 2.352 546 I HA 0.422 4.588 4.170 -0.007 0.000 0.290 546 I C -2.274 173.884 176.117 0.067 0.000 1.036 546 I CA -2.765 58.585 61.300 0.083 0.000 1.336 546 I CB 1.217 39.275 38.000 0.096 0.000 1.407 546 I HN 0.157 nan 8.210 nan 0.000 0.497 547 P HA 0.346 nan 4.420 nan 0.000 0.268 547 P C -1.274 176.059 177.300 0.055 0.000 1.541 547 P CA -0.027 63.114 63.100 0.069 0.000 1.093 547 P CB 0.555 32.310 31.700 0.092 0.000 1.551 548 L N 2.688 123.932 121.223 0.035 0.000 2.472 548 L HA 0.377 4.713 4.340 -0.007 0.000 0.260 548 L C -0.213 176.658 176.870 0.002 0.000 0.963 548 L CA -0.458 54.396 54.840 0.022 0.000 0.829 548 L CB 1.886 43.954 42.059 0.015 0.000 1.348 548 L HN 0.001 nan 8.230 nan 0.000 0.408 549 D N 2.307 122.701 120.400 -0.011 0.000 2.336 549 D HA 0.398 5.034 4.640 -0.007 0.000 0.249 549 D C 0.174 176.449 176.300 -0.041 0.000 1.213 549 D CA 0.019 54.003 54.000 -0.027 0.000 0.870 549 D CB 1.540 42.316 40.800 -0.040 0.000 1.076 549 D HN 0.603 nan 8.370 nan 0.000 0.483 550 A N 4.471 127.268 122.820 -0.039 0.000 2.785 550 A HA 0.193 4.508 4.320 -0.007 0.000 0.294 550 A C 0.550 178.106 177.584 -0.046 0.000 1.597 550 A CA -0.084 51.921 52.037 -0.054 0.000 1.283 550 A CB -0.429 18.538 19.000 -0.055 0.000 1.088 550 A HN 0.478 nan 8.150 nan 0.000 0.568 551 R N 2.183 122.659 120.500 -0.040 0.000 3.039 551 R HA 0.411 4.746 4.340 -0.007 0.000 0.264 551 R C 0.437 176.758 176.300 0.034 0.000 1.708 551 R CA 0.477 56.571 56.100 -0.009 0.000 1.134 551 R CB 0.029 30.319 30.300 -0.018 0.000 1.386 551 R HN 1.511 nan 8.270 nan 0.000 0.477 552 G N 1.949 110.807 108.800 0.097 0.000 2.176 552 G HA2 -0.248 3.708 3.960 -0.007 0.000 0.252 552 G HA3 -0.248 3.708 3.960 -0.007 0.000 0.252 552 G C -0.237 174.858 174.900 0.325 0.000 1.024 552 G CA 0.638 45.901 45.100 0.272 0.000 0.755 552 G HN 0.502 nan 8.290 nan 0.000 0.507 553 T N 0.149 114.770 114.554 0.113 0.000 2.758 553 T HA 0.527 4.872 4.350 -0.007 0.000 0.285 553 T C -0.524 174.113 174.700 -0.105 0.000 0.981 553 T CA -0.167 61.994 62.100 0.102 0.000 0.965 553 T CB 0.842 69.719 68.868 0.015 0.000 0.927 553 T HN 0.328 nan 8.240 nan 0.000 0.448 554 W N 3.310 124.636 121.300 0.043 0.000 2.632 554 W HA 0.652 5.308 4.660 -0.007 0.000 0.328 554 W C -0.737 175.645 176.519 -0.229 0.000 1.044 554 W CA -0.949 56.358 57.345 -0.062 0.000 1.225 554 W CB 1.063 30.598 29.460 0.124 0.000 1.396 554 W HN 0.312 nan 8.180 nan 0.000 0.499 555 L N 3.673 124.651 121.223 -0.408 0.000 2.329 555 L HA 0.697 5.033 4.340 -0.007 0.000 0.279 555 L C -0.609 176.038 176.870 -0.372 0.000 1.014 555 L CA -1.395 53.110 54.840 -0.560 0.000 0.814 555 L CB 1.358 42.691 42.059 -1.211 0.000 1.257 555 L HN 0.022 nan 8.230 nan 0.000 0.424 556 V N 2.325 122.221 119.914 -0.030 0.000 2.349 556 V HA 0.172 4.288 4.120 -0.007 0.000 0.284 556 V C 0.289 176.543 176.094 0.266 0.000 1.014 556 V CA -0.742 61.632 62.300 0.124 0.000 0.826 556 V CB 1.363 33.268 31.823 0.136 0.000 1.009 556 V HN 0.730 nan 8.190 nan 0.000 0.431 557 N N 4.752 123.690 118.700 0.397 0.000 2.411 557 N HA 0.024 4.760 4.740 -0.007 0.000 0.282 557 N C 0.861 176.458 175.510 0.144 0.000 1.322 557 N CA 0.217 53.490 53.050 0.371 0.000 0.943 557 N CB 0.735 39.446 38.487 0.373 0.000 1.266 557 N HN 0.702 nan 8.380 nan 0.000 0.486 558 L N 3.601 124.847 121.223 0.038 0.000 2.700 558 L HA -0.080 4.256 4.340 -0.007 0.000 0.240 558 L C 1.575 178.457 176.870 0.021 0.000 1.162 558 L CA 0.418 55.255 54.840 -0.004 0.000 0.874 558 L CB -0.079 41.898 42.059 -0.137 0.000 1.001 558 L HN 0.568 nan 8.230 nan 0.000 0.447 559 L N -1.454 119.783 121.223 0.024 0.000 2.526 559 L HA 0.040 4.375 4.340 -0.007 0.000 0.210 559 L C 2.171 179.069 176.870 0.046 0.000 1.048 559 L CA 0.856 55.717 54.840 0.035 0.000 0.852 559 L CB 0.130 42.187 42.059 -0.004 0.000 1.128 559 L HN 0.265 nan 8.230 nan 0.000 0.482 560 T N -4.672 109.914 114.554 0.055 0.000 3.010 560 T HA 0.319 4.665 4.350 -0.007 0.000 0.257 560 T C 1.434 176.183 174.700 0.083 0.000 1.020 560 T CA 0.525 62.662 62.100 0.061 0.000 0.938 560 T CB 1.063 69.963 68.868 0.054 0.000 1.049 560 T HN 0.364 nan 8.240 nan 0.000 0.522 561 G N 1.554 110.416 108.800 0.102 0.000 2.304 561 G HA2 -0.303 3.653 3.960 -0.007 0.000 0.252 561 G HA3 -0.303 3.653 3.960 -0.007 0.000 0.252 561 G C 0.034 175.019 174.900 0.141 0.000 1.014 561 G CA 0.226 45.394 45.100 0.113 0.000 0.619 561 G HN 0.710 nan 8.290 nan 0.000 0.525 562 E N 1.311 121.601 120.200 0.150 0.000 2.653 562 E HA 0.136 4.482 4.350 -0.007 0.000 0.264 562 E C 0.638 177.398 176.600 0.268 0.000 0.949 562 E CA 0.682 57.195 56.400 0.187 0.000 0.953 562 E CB 0.281 30.088 29.700 0.177 0.000 0.925 562 E HN 0.669 nan 8.360 nan 0.000 0.475 563 R N 2.862 123.531 120.500 0.282 0.000 2.888 563 R HA 0.630 4.966 4.340 -0.007 0.000 0.266 563 R C -0.988 175.579 176.300 0.446 0.000 1.020 563 R CA -0.527 55.754 56.100 0.302 0.000 0.963 563 R CB 1.038 31.468 30.300 0.217 0.000 1.197 563 R HN 0.454 nan 8.270 nan 0.000 0.481 564 F N -1.100 118.969 119.950 0.198 0.000 2.944 564 F HA 0.670 5.193 4.527 -0.007 0.000 0.324 564 F C -2.066 173.692 175.800 -0.070 0.000 1.151 564 F CA -1.113 56.947 58.000 0.100 0.000 0.883 564 F CB 0.607 39.597 39.000 -0.016 0.000 1.341 564 F HN 0.605 nan 8.300 nan 0.000 0.456 565 A N 0.995 123.594 122.820 -0.368 0.000 2.311 565 A HA 0.909 5.225 4.320 -0.007 0.000 0.334 565 A C -0.540 176.775 177.584 -0.448 0.000 1.139 565 A CA -0.569 50.852 52.037 -1.027 0.000 0.830 565 A CB 0.878 18.755 19.000 -1.872 0.000 1.234 565 A HN 1.831 nan 8.150 nan 0.000 0.483 566 A N 1.337 123.856 122.820 -0.501 0.000 2.354 566 A HA 0.586 4.902 4.320 -0.007 0.000 0.281 566 A C -0.003 177.476 177.584 -0.176 0.000 1.174 566 A CA 0.024 51.925 52.037 -0.227 0.000 0.828 566 A CB -0.367 18.515 19.000 -0.196 0.000 1.099 566 A HN 0.924 nan 8.150 nan 0.000 0.516 567 E N 1.262 121.409 120.200 -0.087 0.000 2.352 567 E HA 0.555 4.901 4.350 -0.007 0.000 0.280 567 E C -0.083 176.494 176.600 -0.039 0.000 0.930 567 E CA -0.518 55.840 56.400 -0.070 0.000 0.765 567 E CB 1.417 31.073 29.700 -0.074 0.000 1.219 567 E HN 0.545 nan 8.360 nan 0.000 0.434 568 A N 1.952 124.753 122.820 -0.031 0.000 2.292 568 A HA -0.131 4.184 4.320 -0.007 0.000 0.205 568 A C 0.931 178.502 177.584 -0.021 0.000 1.243 568 A CA 0.853 52.878 52.037 -0.020 0.000 0.783 568 A CB -0.469 18.522 19.000 -0.015 0.000 0.760 568 A HN 0.549 nan 8.150 nan 0.000 0.498 569 E N -1.265 118.917 120.200 -0.029 0.000 2.526 569 E HA 0.026 4.372 4.350 -0.007 0.000 0.208 569 E C 0.743 177.311 176.600 -0.053 0.000 0.997 569 E CA 1.106 57.485 56.400 -0.036 0.000 0.961 569 E CB 0.476 30.155 29.700 -0.035 0.000 1.030 569 E HN 0.671 nan 8.360 nan 0.000 0.483 570 T N -2.335 112.188 114.554 -0.052 0.000 3.541 570 T HA 0.313 4.658 4.350 -0.007 0.000 0.309 570 T C 0.553 175.218 174.700 -0.058 0.000 0.973 570 T CA -0.292 61.749 62.100 -0.099 0.000 0.993 570 T CB -0.675 68.100 68.868 -0.156 0.000 1.206 570 T HN -0.072 nan 8.240 nan 0.000 0.489 571 L N 1.538 122.749 121.223 -0.019 0.000 3.064 571 L HA 0.529 4.864 4.340 -0.007 0.000 0.233 571 L C -0.101 176.773 176.870 0.007 0.000 1.333 571 L CA -0.587 54.258 54.840 0.009 0.000 1.140 571 L CB 0.255 42.322 42.059 0.013 0.000 1.519 571 L HN 0.467 nan 8.230 nan 0.000 0.493 572 C N 0.189 119.480 119.300 -0.015 0.000 2.789 572 C HA 0.415 4.871 4.460 -0.007 0.000 0.367 572 C C 0.469 175.446 174.990 -0.021 0.000 1.062 572 C CA -0.234 58.778 59.018 -0.010 0.000 1.297 572 C CB 1.008 28.737 27.740 -0.019 0.000 1.794 572 C HN 0.455 nan 8.230 nan 0.000 0.474 573 T N 3.477 118.036 114.554 0.009 0.000 2.817 573 T HA 0.341 4.687 4.350 -0.007 0.000 0.293 573 T C 0.129 174.805 174.700 -0.041 0.000 0.964 573 T CA 0.194 62.301 62.100 0.013 0.000 1.085 573 T CB 1.313 70.235 68.868 0.089 0.000 0.921 573 T HN 0.708 nan 8.240 nan 0.000 0.502 574 S N 4.024 119.694 115.700 -0.050 0.000 2.420 574 S HA 0.568 5.033 4.470 -0.007 0.000 0.313 574 S C -0.391 174.167 174.600 -0.070 0.000 1.079 574 S CA -0.802 57.360 58.200 -0.064 0.000 1.104 574 S CB -0.399 62.768 63.200 -0.055 0.000 0.969 574 S HN 0.508 nan 8.310 nan 0.000 0.471 575 L N 6.760 127.931 121.223 -0.087 0.000 2.322 575 L HA 0.680 5.016 4.340 -0.007 0.000 0.269 575 L C -1.931 174.897 176.870 -0.069 0.000 1.012 575 L CA -2.410 52.380 54.840 -0.084 0.000 0.815 575 L CB 2.254 44.263 42.059 -0.084 0.000 1.295 575 L HN 0.466 nan 8.230 nan 0.000 0.438 576 P HA 0.370 nan 4.420 nan 0.000 0.306 576 P C -2.799 174.476 177.300 -0.043 0.000 1.309 576 P CA -2.212 60.864 63.100 -0.040 0.000 0.759 576 P CB -0.043 31.640 31.700 -0.028 0.000 1.314 577 P HA 0.001 nan 4.420 nan 0.000 0.265 577 P C -0.573 176.705 177.300 -0.036 0.000 1.193 577 P CA 0.761 63.781 63.100 -0.133 0.000 0.765 577 P CB -0.607 31.055 31.700 -0.063 0.000 0.823 578 Y N -0.656 119.687 120.300 0.072 0.000 3.396 578 Y HA -0.221 4.325 4.550 -0.007 0.000 0.214 578 Y C 1.431 177.434 175.900 0.171 0.000 1.203 578 Y CA 1.068 59.231 58.100 0.105 0.000 1.401 578 Y CB -2.344 36.158 38.460 0.070 0.000 1.409 578 Y HN 0.424 nan 8.280 nan 0.000 0.594 579 G N -0.146 108.759 108.800 0.175 0.000 2.507 579 G HA2 0.548 4.503 3.960 -0.007 0.000 0.271 579 G HA3 0.548 4.503 3.960 -0.007 0.000 0.271 579 G C -0.587 174.458 174.900 0.241 0.000 1.189 579 G CA -0.059 45.122 45.100 0.135 0.000 0.859 579 G HN 0.432 nan 8.290 nan 0.000 0.542 580 F N -0.890 119.082 119.950 0.037 0.000 2.686 580 F HA 0.809 5.331 4.527 -0.007 0.000 0.311 580 F C -1.136 174.647 175.800 -0.028 0.000 1.128 580 F CA -1.626 56.395 58.000 0.034 0.000 0.946 580 F CB 1.815 40.864 39.000 0.082 0.000 1.336 580 F HN 0.700 nan 8.300 nan 0.000 0.457 581 V N 1.914 121.844 119.914 0.027 0.000 3.098 581 V HA 0.744 4.860 4.120 -0.007 0.000 0.294 581 V C -2.228 173.704 176.094 -0.270 0.000 1.351 581 V CA -0.746 61.425 62.300 -0.216 0.000 0.999 581 V CB 2.201 33.807 31.823 -0.362 0.000 1.104 581 V HN 0.900 nan 8.190 nan 0.000 0.438 582 L N 5.914 126.910 121.223 -0.378 0.000 2.370 582 L HA 0.734 5.069 4.340 -0.007 0.000 0.266 582 L C -1.114 175.459 176.870 -0.495 0.000 1.002 582 L CA -0.251 54.381 54.840 -0.346 0.000 0.818 582 L CB 1.982 43.950 42.059 -0.152 0.000 1.325 582 L HN 0.658 nan 8.230 nan 0.000 0.418 583 Y N 0.131 120.391 120.300 -0.067 0.000 2.512 583 Y HA 0.782 5.328 4.550 -0.007 0.000 0.348 583 Y C -0.087 175.730 175.900 -0.138 0.000 0.990 583 Y CA -1.306 56.751 58.100 -0.071 0.000 1.033 583 Y CB 2.318 40.758 38.460 -0.034 0.000 1.259 583 Y HN 0.638 nan 8.280 nan 0.000 0.461 584 A N 3.490 126.343 122.820 0.055 0.000 2.292 584 A HA 0.696 5.012 4.320 -0.007 0.000 0.319 584 A C -1.085 176.494 177.584 -0.009 0.000 1.206 584 A CA -0.540 51.476 52.037 -0.035 0.000 0.835 584 A CB 0.286 19.290 19.000 0.007 0.000 1.164 584 A HN 0.531 nan 8.150 nan 0.000 0.505 585 I N 2.253 122.783 120.570 -0.066 0.000 2.321 585 I HA 0.299 4.465 4.170 -0.007 0.000 0.291 585 I C 0.196 176.194 176.117 -0.199 0.000 0.998 585 I CA -0.117 61.118 61.300 -0.109 0.000 1.227 585 I CB 0.919 38.837 38.000 -0.138 0.000 1.368 585 I HN 0.710 nan 8.210 nan 0.000 0.466 586 E N 5.367 125.504 120.200 -0.103 0.000 2.166 586 E HA 0.339 4.684 4.350 -0.007 0.000 0.275 586 E C -0.828 175.651 176.600 -0.202 0.000 0.941 586 E CA -0.489 55.763 56.400 -0.247 0.000 0.784 586 E CB 1.375 31.046 29.700 -0.048 0.000 1.115 586 E HN 0.490 nan 8.360 nan 0.000 0.399 587 H N 2.884 121.675 119.070 -0.467 0.000 2.661 587 H HA 0.163 4.714 4.556 -0.007 0.000 0.290 587 H C -0.797 174.279 175.328 -0.420 0.000 1.082 587 H CA -0.736 55.135 56.048 -0.294 0.000 1.234 587 H CB 0.657 30.303 29.762 -0.194 0.000 1.387 587 H HN 0.416 nan 8.280 nan 0.000 0.476 588 W N 0.000 121.436 121.300 0.226 0.000 2.388 588 W HA 0.000 4.656 4.660 -0.007 0.000 0.303 588 W CA 0.000 57.432 57.345 0.145 0.000 1.226 588 W CB 0.000 29.547 29.460 0.145 0.000 1.126 588 W HN 0.000 nan 8.180 nan 0.000 0.535