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 2hu8_1_B DATA FIRST_RESID 9 DATA SEQUENCE FSRIVRDVER LIAVEKYSLQ GVVDGDKLLV VGFSEGSVNA YLYDGGETVK DATA SEQUENCE LNREPINSVL DPHYGVGRVI LVRDVSKGAE QHALFKVNTS RPGEEQRLEA DATA SEQUENCE VKPMRILSGV DTGEAVVFTG ATEDRVALYA LDGGGLRELA RLPGFGFVSD DATA SEQUENCE IRGDLIAGLG FFGGGRVSLF TSNLSSGGLR VFDSGEGSFS SASISPGMKV DATA SEQUENCE TAGLETAREA RLVTVDPRDG SVEDLELPSK DFSSYRPTAI TWLGYLPDGR DATA SEQUENCE LAVVARREGR SAVFIDGERV EAPQGNHGRV VLWRGKLVTS HTSLSTPPRI DATA SEQUENCE VSLPSGEPLL EGGLPEDLRR SIAGSRLVWV ESFDGSRVPT YVLESGRAPT DATA SEQUENCE PGPTVVLVHG GPFAEDSDSW DTFAASLAAA GFHVVMPNYR GSTGYGEEWR DATA SEQUENCE LKIIGDPCGG ELEDVSAAAR WARESGLASE LYIMGYAYGG YMTLCALTMK DATA SEQUENCE PGLFKAGVAG ASVVDWEEMY ELSDAAFRNF IEQLTGGSRE IMRSRSPINH DATA SEQUENCE VDRIKEPLAL IHPQNDSRTP LKPLLRLMGE LLARGKTFEA HIIPDAGHAI DATA SEQUENCE NTMEDAVKIL LPAVFFLATQ RER 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 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.750 175.800 -0.083 0.000 0.967 9 F CA 0.000 57.870 58.000 -0.216 0.000 1.383 9 F CB 0.000 38.802 39.000 -0.330 0.000 1.145 10 S N 1.103 116.867 115.700 0.106 0.000 2.387 10 S HA -0.001 4.471 4.470 0.003 0.000 0.226 10 S C 2.141 176.767 174.600 0.043 0.000 1.026 10 S CA 1.428 59.668 58.200 0.066 0.000 0.972 10 S CB -0.578 62.660 63.200 0.063 0.000 0.814 10 S HN 0.444 nan 8.310 nan 0.000 0.477 11 R N 1.656 122.180 120.500 0.041 0.000 2.092 11 R HA 0.292 4.634 4.340 0.003 0.000 0.231 11 R C 2.298 178.615 176.300 0.029 0.000 1.119 11 R CA 1.420 57.538 56.100 0.030 0.000 0.970 11 R CB -1.663 28.654 30.300 0.028 0.000 0.864 11 R HN 0.673 nan 8.270 nan 0.000 0.440 12 I N 0.861 121.452 120.570 0.035 0.000 2.151 12 I HA -0.287 3.885 4.170 0.003 0.000 0.243 12 I C 2.350 178.486 176.117 0.032 0.000 1.080 12 I CA 1.829 63.155 61.300 0.043 0.000 1.339 12 I CB -0.475 37.562 38.000 0.062 0.000 1.039 12 I HN 0.177 nan 8.210 nan 0.000 0.409 13 V N 0.588 120.529 119.914 0.045 0.000 2.343 13 V HA -0.260 3.862 4.120 0.003 0.000 0.247 13 V C 2.589 178.674 176.094 -0.016 0.000 1.051 13 V CA 1.800 64.106 62.300 0.010 0.000 1.036 13 V CB -0.830 31.018 31.823 0.042 0.000 0.654 13 V HN 0.408 nan 8.190 nan 0.000 0.451 14 R N -0.208 120.292 120.500 0.000 0.000 2.115 14 R HA -0.132 4.210 4.340 0.003 0.000 0.226 14 R C 2.005 178.299 176.300 -0.009 0.000 1.100 14 R CA 1.420 57.517 56.100 -0.005 0.000 0.980 14 R CB -0.183 30.119 30.300 0.004 0.000 0.875 14 R HN 0.522 nan 8.270 nan 0.000 0.445 15 D N -0.145 120.253 120.400 -0.003 0.000 2.097 15 D HA -0.125 4.517 4.640 0.003 0.000 0.197 15 D C 1.916 178.206 176.300 -0.016 0.000 0.984 15 D CA 1.088 55.088 54.000 -0.000 0.000 0.826 15 D CB -0.140 40.667 40.800 0.011 0.000 0.973 15 D HN 0.050 nan 8.370 nan 0.000 0.460 16 V N 1.256 121.145 119.914 -0.042 0.000 2.343 16 V HA -0.215 3.907 4.120 0.003 0.000 0.247 16 V C 2.361 178.408 176.094 -0.078 0.000 1.051 16 V CA 1.616 63.868 62.300 -0.081 0.000 1.036 16 V CB -0.390 31.350 31.823 -0.138 0.000 0.654 16 V HN 0.183 nan 8.190 nan 0.000 0.451 17 E N -0.340 119.820 120.200 -0.068 0.000 2.106 17 E HA -0.196 4.156 4.350 0.003 0.000 0.192 17 E C 2.490 179.056 176.600 -0.058 0.000 0.984 17 E CA 1.064 57.425 56.400 -0.065 0.000 0.806 17 E CB -0.072 29.599 29.700 -0.050 0.000 0.750 17 E HN 0.534 nan 8.360 nan 0.000 0.458 18 R N 0.040 120.516 120.500 -0.040 0.000 2.119 18 R HA -0.004 4.338 4.340 0.003 0.000 0.222 18 R C 2.370 178.649 176.300 -0.035 0.000 1.088 18 R CA 0.538 56.616 56.100 -0.035 0.000 0.984 18 R CB -0.053 30.236 30.300 -0.017 0.000 0.884 18 R HN 0.150 nan 8.270 nan 0.000 0.447 19 L N 0.275 121.492 121.223 -0.010 0.000 2.109 19 L HA -0.100 4.242 4.340 0.003 0.000 0.207 19 L C 2.180 179.044 176.870 -0.010 0.000 1.086 19 L CA 1.128 55.995 54.840 0.045 0.000 0.760 19 L CB -0.157 41.956 42.059 0.090 0.000 0.910 19 L HN 0.156 nan 8.230 nan 0.000 0.437 20 I N -0.438 120.083 120.570 -0.081 0.000 2.439 20 I HA -0.209 3.963 4.170 0.003 0.000 0.251 20 I C 2.626 178.569 176.117 -0.290 0.000 1.139 20 I CA 0.951 62.138 61.300 -0.189 0.000 1.438 20 I CB -0.314 37.589 38.000 -0.161 0.000 1.085 20 I HN 0.169 nan 8.210 nan 0.000 0.427 21 A N 0.335 123.045 122.820 -0.183 0.000 2.014 21 A HA 0.030 4.352 4.320 0.003 0.000 0.218 21 A C 1.329 178.800 177.584 -0.188 0.000 1.163 21 A CA 0.319 52.256 52.037 -0.167 0.000 0.652 21 A CB -0.531 18.413 19.000 -0.094 0.000 0.808 21 A HN 0.129 nan 8.150 nan 0.000 0.449 22 V N 1.376 121.178 119.914 -0.187 0.000 2.788 22 V HA -0.031 4.091 4.120 0.003 0.000 0.307 22 V C 0.356 176.285 176.094 -0.275 0.000 1.069 22 V CA 0.153 62.331 62.300 -0.203 0.000 1.173 22 V CB 0.487 32.181 31.823 -0.216 0.000 0.925 22 V HN 0.582 nan 8.190 nan 0.000 0.492 23 E N 3.748 123.803 120.200 -0.243 0.000 2.289 23 E HA 0.407 4.759 4.350 0.003 0.000 0.278 23 E C -0.634 175.695 176.600 -0.452 0.000 1.032 23 E CA -0.196 56.008 56.400 -0.328 0.000 0.854 23 E CB 0.765 30.345 29.700 -0.200 0.000 1.046 23 E HN 0.524 nan 8.360 nan 0.000 0.409 24 K N 2.460 122.491 120.400 -0.615 0.000 2.427 24 K HA 0.457 4.779 4.320 0.003 0.000 0.252 24 K C -1.462 174.775 176.600 -0.604 0.000 0.931 24 K CA -0.732 55.279 56.287 -0.459 0.000 0.793 24 K CB 1.572 33.945 32.500 -0.212 0.000 1.211 24 K HN 0.380 nan 8.250 nan 0.000 0.426 25 Y N 0.152 120.412 120.300 -0.066 0.000 2.406 25 Y HA 0.293 4.845 4.550 0.003 0.000 0.340 25 Y C -0.029 175.829 175.900 -0.071 0.000 0.975 25 Y CA -0.956 57.103 58.100 -0.068 0.000 1.056 25 Y CB 2.383 40.765 38.460 -0.130 0.000 1.210 25 Y HN 0.590 nan 8.280 nan 0.000 0.448 26 S N 3.355 119.105 115.700 0.084 0.000 2.509 26 S HA 0.670 5.142 4.470 0.003 0.000 0.297 26 S C -1.211 173.383 174.600 -0.010 0.000 1.118 26 S CA -0.708 57.501 58.200 0.015 0.000 1.074 26 S CB 1.388 64.585 63.200 -0.004 0.000 1.038 26 S HN 0.610 nan 8.310 nan 0.000 0.498 27 L N 2.957 124.139 121.223 -0.069 0.000 2.292 27 L HA 0.513 4.855 4.340 0.003 0.000 0.284 27 L C 0.765 177.565 176.870 -0.116 0.000 1.065 27 L CA 0.372 55.145 54.840 -0.112 0.000 0.806 27 L CB 1.026 42.991 42.059 -0.156 0.000 1.175 27 L HN 0.859 nan 8.230 nan 0.000 0.431 28 Q N 3.683 123.423 119.800 -0.101 0.000 2.431 28 Q HA 0.475 4.817 4.340 0.003 0.000 0.244 28 Q C 0.527 176.463 176.000 -0.105 0.000 0.880 28 Q CA 0.651 56.404 55.803 -0.083 0.000 0.954 28 Q CB 1.388 30.099 28.738 -0.045 0.000 1.105 28 Q HN 0.942 nan 8.270 nan 0.000 0.558 29 G N -0.244 108.474 108.800 -0.137 0.000 2.404 29 G HA2 0.270 4.232 3.960 0.003 0.000 0.253 29 G HA3 0.270 4.232 3.960 0.003 0.000 0.253 29 G C -1.788 172.987 174.900 -0.209 0.000 1.253 29 G CA -0.427 44.549 45.100 -0.206 0.000 0.917 29 G HN -0.079 nan 8.290 nan 0.000 0.480 30 V N -0.287 119.447 119.914 -0.299 0.000 2.638 30 V HA 0.829 4.951 4.120 0.003 0.000 0.306 30 V C -0.445 175.604 176.094 -0.076 0.000 1.052 30 V CA -0.584 61.624 62.300 -0.153 0.000 0.885 30 V CB 1.355 33.117 31.823 -0.102 0.000 0.999 30 V HN 0.982 nan 8.190 nan 0.000 0.424 31 V N 2.581 122.507 119.914 0.019 0.000 3.181 31 V HA 0.582 4.704 4.120 0.003 0.000 0.308 31 V C -0.401 175.737 176.094 0.075 0.000 1.214 31 V CA -0.213 62.110 62.300 0.038 0.000 1.053 31 V CB 2.165 33.998 31.823 0.017 0.000 1.069 31 V HN 1.062 nan 8.190 nan 0.000 0.441 32 D N 1.760 122.200 120.400 0.066 0.000 2.697 32 D HA -0.081 4.561 4.640 0.003 0.000 0.238 32 D C 0.795 177.145 176.300 0.082 0.000 1.152 32 D CA 2.182 56.222 54.000 0.066 0.000 0.666 32 D CB -1.044 39.791 40.800 0.059 0.000 1.037 32 D HN 1.806 nan 8.370 nan 0.000 0.423 33 G N 0.068 108.922 108.800 0.090 0.000 5.356 33 G HA2 -0.177 3.785 3.960 0.003 0.000 0.309 33 G HA3 -0.177 3.785 3.960 0.003 0.000 0.309 33 G C 0.568 175.549 174.900 0.135 0.000 1.451 33 G CA 0.998 46.156 45.100 0.096 0.000 0.978 33 G HN 1.513 nan 8.290 nan 0.000 0.771 34 D N -0.106 120.387 120.400 0.155 0.000 3.060 34 D HA 0.611 5.253 4.640 0.003 0.000 0.326 34 D C -0.256 176.294 176.300 0.416 0.000 1.253 34 D CA 0.978 55.124 54.000 0.244 0.000 0.737 34 D CB 0.149 41.005 40.800 0.093 0.000 1.260 34 D HN 0.982 nan 8.370 nan 0.000 0.542 35 K N 0.320 120.916 120.400 0.326 0.000 2.397 35 K HA 0.756 5.078 4.320 0.003 0.000 0.253 35 K C -0.097 176.557 176.600 0.090 0.000 0.932 35 K CA -0.793 55.658 56.287 0.273 0.000 0.795 35 K CB 1.670 34.261 32.500 0.151 0.000 1.159 35 K HN 0.453 nan 8.250 nan 0.000 0.424 36 L N 2.153 123.301 121.223 -0.125 0.000 2.453 36 L HA 0.281 4.623 4.340 0.003 0.000 0.272 36 L C 0.184 177.005 176.870 -0.081 0.000 1.182 36 L CA -0.740 53.971 54.840 -0.215 0.000 0.858 36 L CB 0.270 42.057 42.059 -0.453 0.000 1.120 36 L HN 0.536 nan 8.230 nan 0.000 0.474 37 L N 4.939 126.117 121.223 -0.076 0.000 2.272 37 L HA 0.547 4.889 4.340 0.003 0.000 0.289 37 L C -0.538 176.314 176.870 -0.030 0.000 1.032 37 L CA -0.027 54.796 54.840 -0.028 0.000 0.810 37 L CB 1.444 43.486 42.059 -0.030 0.000 1.205 37 L HN 0.255 nan 8.230 nan 0.000 0.422 38 V N 5.437 125.370 119.914 0.032 0.000 2.604 38 V HA 0.497 4.619 4.120 0.003 0.000 0.305 38 V C -0.283 175.901 176.094 0.151 0.000 1.043 38 V CA -0.868 61.470 62.300 0.063 0.000 0.888 38 V CB 1.962 33.815 31.823 0.050 0.000 0.995 38 V HN 0.484 nan 8.190 nan 0.000 0.429 39 V N 3.097 123.079 119.914 0.115 0.000 2.465 39 V HA 0.739 4.861 4.120 0.003 0.000 0.279 39 V C 0.748 176.950 176.094 0.180 0.000 1.045 39 V CA 0.129 62.500 62.300 0.119 0.000 0.938 39 V CB 1.449 33.290 31.823 0.029 0.000 0.986 39 V HN 1.043 nan 8.190 nan 0.000 0.467 40 G N 3.487 112.436 108.800 0.247 0.000 2.609 40 G HA2 0.529 4.491 3.960 0.003 0.000 0.308 40 G HA3 0.529 4.491 3.960 0.003 0.000 0.308 40 G C -1.134 173.820 174.900 0.091 0.000 1.369 40 G CA -0.419 44.771 45.100 0.150 0.000 0.958 40 G HN 0.425 nan 8.290 nan 0.000 0.499 41 F N 3.126 122.946 119.950 -0.216 0.000 2.567 41 F HA 0.605 5.133 4.527 0.001 0.000 0.352 41 F C 0.530 176.213 175.800 -0.195 0.000 1.229 41 F CA -0.987 56.919 58.000 -0.157 0.000 1.228 41 F CB 0.524 39.423 39.000 -0.169 0.000 1.568 41 F HN 0.306 nan 8.300 nan 0.000 0.634 42 S N 1.837 117.656 115.700 0.199 0.000 2.540 42 S HA 0.471 4.943 4.470 0.003 0.000 0.275 42 S C -0.434 174.256 174.600 0.149 0.000 1.123 42 S CA -0.137 58.116 58.200 0.088 0.000 0.907 42 S CB 1.274 64.469 63.200 -0.008 0.000 1.081 42 S HN 0.341 nan 8.310 nan 0.000 0.476 43 E N 1.718 121.972 120.200 0.090 0.000 2.320 43 E HA -0.143 4.209 4.350 0.003 0.000 0.234 43 E C 1.047 177.701 176.600 0.090 0.000 1.183 43 E CA 1.377 57.828 56.400 0.084 0.000 0.713 43 E CB -2.416 27.347 29.700 0.105 0.000 1.226 43 E HN 2.265 nan 8.360 nan 0.000 0.382 44 G N -1.964 106.898 108.800 0.103 0.000 2.254 44 G HA2 -0.192 3.770 3.960 0.003 0.000 0.225 44 G HA3 -0.192 3.770 3.960 0.003 0.000 0.225 44 G C 0.349 175.335 174.900 0.144 0.000 1.003 44 G CA 0.314 45.474 45.100 0.100 0.000 0.622 44 G HN 2.076 nan 8.290 nan 0.000 0.507 45 S N -1.773 114.017 115.700 0.150 0.000 2.615 45 S HA 0.621 5.093 4.470 0.003 0.000 0.268 45 S C -0.683 173.870 174.600 -0.079 0.000 1.146 45 S CA -0.235 57.984 58.200 0.031 0.000 0.818 45 S CB 2.086 65.273 63.200 -0.022 0.000 1.111 45 S HN 1.205 nan 8.310 nan 0.000 0.465 46 V N 2.805 122.522 119.914 -0.327 0.000 2.485 46 V HA 0.308 4.430 4.120 0.003 0.000 0.287 46 V C -0.193 175.818 176.094 -0.137 0.000 1.022 46 V CA 0.297 62.418 62.300 -0.298 0.000 1.067 46 V CB -0.282 31.307 31.823 -0.390 0.000 0.967 46 V HN 0.767 nan 8.190 nan 0.000 0.479 47 N N 2.937 121.599 118.700 -0.064 0.000 2.405 47 N HA 0.712 5.454 4.740 0.003 0.000 0.285 47 N C -0.664 174.709 175.510 -0.227 0.000 1.262 47 N CA -0.477 52.458 53.050 -0.191 0.000 0.773 47 N CB 2.364 40.661 38.487 -0.316 0.000 1.490 47 N HN 0.622 nan 8.380 nan 0.000 0.486 48 A N 0.956 123.569 122.820 -0.345 0.000 2.305 48 A HA 0.718 5.040 4.320 0.003 0.000 0.322 48 A C -1.421 175.922 177.584 -0.402 0.000 1.187 48 A CA -0.236 51.670 52.037 -0.219 0.000 0.825 48 A CB 0.271 19.197 19.000 -0.124 0.000 1.164 48 A HN 0.615 nan 8.150 nan 0.000 0.498 49 Y N 0.305 120.620 120.300 0.026 0.000 2.605 49 Y HA 0.631 5.182 4.550 0.002 0.000 0.343 49 Y C -0.178 175.737 175.900 0.025 0.000 1.036 49 Y CA -0.714 57.408 58.100 0.037 0.000 1.065 49 Y CB 2.044 40.546 38.460 0.070 0.000 1.288 49 Y HN 0.548 nan 8.280 nan 0.000 0.481 50 L N 1.454 122.807 121.223 0.217 0.000 2.334 50 L HA 0.486 4.828 4.340 0.003 0.000 0.273 50 L C -1.574 175.391 176.870 0.159 0.000 1.013 50 L CA -0.962 53.959 54.840 0.134 0.000 0.816 50 L CB 1.889 43.998 42.059 0.084 0.000 1.278 50 L HN 0.591 nan 8.230 nan 0.000 0.431 51 Y N 0.476 120.742 120.300 -0.056 0.000 2.386 51 Y HA 0.466 5.018 4.550 0.003 0.000 0.334 51 Y C -0.006 175.861 175.900 -0.054 0.000 1.002 51 Y CA -0.325 57.710 58.100 -0.109 0.000 1.068 51 Y CB 1.954 40.260 38.460 -0.257 0.000 1.203 51 Y HN 0.673 nan 8.280 nan 0.000 0.443 52 D N 1.896 122.071 120.400 -0.375 0.000 2.516 52 D HA 0.445 5.087 4.640 0.003 0.000 0.241 52 D C 0.687 176.936 176.300 -0.084 0.000 1.246 52 D CA 0.719 54.715 54.000 -0.007 0.000 0.808 52 D CB 0.503 41.338 40.800 0.059 0.000 1.147 52 D HN 0.889 nan 8.370 nan 0.000 0.527 53 G N -0.958 107.494 108.800 -0.579 0.000 3.064 53 G HA2 0.689 4.651 3.960 0.003 0.000 0.151 53 G HA3 0.689 4.651 3.960 0.003 0.000 0.151 53 G C 0.698 175.377 174.900 -0.368 0.000 1.489 53 G CA 0.605 45.515 45.100 -0.317 0.000 1.066 53 G HN 1.572 nan 8.290 nan 0.000 0.740 54 G N -1.965 106.653 108.800 -0.303 0.000 2.340 54 G HA2 0.528 4.490 3.960 0.003 0.000 0.527 54 G HA3 0.528 4.490 3.960 0.003 0.000 0.527 54 G C -0.477 174.309 174.900 -0.190 0.000 1.381 54 G CA 0.612 45.553 45.100 -0.265 0.000 1.001 54 G HN 1.329 nan 8.290 nan 0.000 0.626 55 E N -0.800 119.345 120.200 -0.092 0.000 2.392 55 E HA 0.701 5.053 4.350 0.003 0.000 0.256 55 E C 1.169 177.770 176.600 0.001 0.000 1.145 55 E CA 0.410 56.798 56.400 -0.020 0.000 0.929 55 E CB 0.322 30.021 29.700 -0.002 0.000 0.998 55 E HN 2.081 nan 8.360 nan 0.000 0.442 56 T N -2.123 112.462 114.554 0.053 0.000 2.909 56 T HA 0.526 4.878 4.350 0.003 0.000 0.289 56 T C -0.120 174.678 174.700 0.164 0.000 1.005 56 T CA -0.551 61.617 62.100 0.113 0.000 1.084 56 T CB 1.074 69.953 68.868 0.018 0.000 0.975 56 T HN 0.520 nan 8.240 nan 0.000 0.509 57 V N 2.998 123.040 119.914 0.212 0.000 2.407 57 V HA 0.406 4.528 4.120 0.003 0.000 0.291 57 V C 0.350 176.544 176.094 0.166 0.000 1.018 57 V CA -1.065 61.330 62.300 0.158 0.000 0.842 57 V CB 1.439 33.311 31.823 0.082 0.000 0.996 57 V HN 0.965 nan 8.190 nan 0.000 0.426 58 K N 3.617 124.078 120.400 0.103 0.000 2.383 58 K HA 0.327 4.649 4.320 0.003 0.000 0.286 58 K C 0.410 176.941 176.600 -0.115 0.000 1.051 58 K CA -0.189 56.025 56.287 -0.122 0.000 0.974 58 K CB 0.823 33.266 32.500 -0.095 0.000 0.968 58 K HN 0.614 nan 8.250 nan 0.000 0.475 59 L N 3.060 124.179 121.223 -0.173 0.000 2.145 59 L HA -0.063 4.279 4.340 0.003 0.000 0.201 59 L C 1.230 178.032 176.870 -0.114 0.000 1.075 59 L CA 0.258 55.036 54.840 -0.104 0.000 0.773 59 L CB -0.398 41.610 42.059 -0.085 0.000 0.936 59 L HN 0.704 nan 8.230 nan 0.000 0.451 60 N N -0.473 118.127 118.700 -0.167 0.000 2.408 60 N HA 0.083 4.825 4.740 0.003 0.000 0.260 60 N C 0.596 176.018 175.510 -0.147 0.000 1.242 60 N CA -0.354 52.603 53.050 -0.155 0.000 0.959 60 N CB 1.273 39.656 38.487 -0.174 0.000 1.201 60 N HN -0.207 nan 8.380 nan 0.000 0.511 61 R N -0.359 120.052 120.500 -0.148 0.000 1.950 61 R HA 0.100 4.442 4.340 0.003 0.000 0.200 61 R C 0.370 176.595 176.300 -0.125 0.000 1.476 61 R CA 0.840 56.866 56.100 -0.124 0.000 1.145 61 R CB -1.322 28.906 30.300 -0.120 0.000 0.942 61 R HN 0.928 nan 8.270 nan 0.000 0.484 62 E N 2.435 122.547 120.200 -0.148 0.000 2.374 62 E HA 0.273 4.625 4.350 0.003 0.000 0.260 62 E C -2.458 174.062 176.600 -0.134 0.000 1.101 62 E CA -2.050 54.272 56.400 -0.129 0.000 0.907 62 E CB 0.008 29.626 29.700 -0.137 0.000 1.014 62 E HN 0.080 nan 8.360 nan 0.000 0.427 63 P HA -0.049 nan 4.420 nan 0.000 0.266 63 P C -0.473 176.767 177.300 -0.101 0.000 1.193 63 P CA 0.529 63.570 63.100 -0.099 0.000 0.770 63 P CB 0.261 31.915 31.700 -0.077 0.000 0.836 64 I N -0.706 119.805 120.570 -0.098 0.000 3.436 64 I HA 0.486 4.658 4.170 0.003 0.000 0.296 64 I C 0.360 176.448 176.117 -0.049 0.000 1.143 64 I CA -0.799 60.465 61.300 -0.060 0.000 1.009 64 I CB 1.955 39.918 38.000 -0.062 0.000 1.301 64 I HN 0.038 nan 8.210 nan 0.000 0.503 65 N N -0.415 118.284 118.700 -0.002 0.000 2.445 65 N HA 0.178 4.920 4.740 0.003 0.000 0.204 65 N C -0.319 175.175 175.510 -0.027 0.000 1.098 65 N CA 0.505 53.556 53.050 0.001 0.000 0.859 65 N CB 0.698 39.250 38.487 0.108 0.000 1.249 65 N HN 0.860 nan 8.380 nan 0.000 0.462 66 S N -0.982 114.702 115.700 -0.026 0.000 2.683 66 S HA 0.584 5.056 4.470 0.003 0.000 0.269 66 S C -1.546 173.041 174.600 -0.022 0.000 1.165 66 S CA -0.793 57.389 58.200 -0.031 0.000 0.840 66 S CB 0.711 63.892 63.200 -0.031 0.000 1.169 66 S HN 0.114 nan 8.310 nan 0.000 0.490 67 V N -0.601 119.305 119.914 -0.014 0.000 2.914 67 V HA 0.744 4.866 4.120 0.003 0.000 0.314 67 V C -0.527 175.571 176.094 0.006 0.000 1.084 67 V CA -1.216 61.081 62.300 -0.006 0.000 0.963 67 V CB 1.171 32.991 31.823 -0.005 0.000 1.025 67 V HN 1.013 nan 8.190 nan 0.000 0.432 68 L N 1.970 123.202 121.223 0.014 0.000 2.452 68 L HA 0.363 4.705 4.340 0.003 0.000 0.267 68 L C 0.074 176.970 176.870 0.044 0.000 1.188 68 L CA -0.324 54.541 54.840 0.041 0.000 0.821 68 L CB 0.237 42.326 42.059 0.050 0.000 1.102 68 L HN 0.669 nan 8.230 nan 0.000 0.470 69 D N 3.378 123.817 120.400 0.065 0.000 2.401 69 D HA 0.142 4.784 4.640 0.003 0.000 0.254 69 D C -2.156 174.173 176.300 0.050 0.000 1.192 69 D CA -0.794 53.241 54.000 0.058 0.000 0.885 69 D CB 0.597 41.455 40.800 0.096 0.000 1.147 69 D HN 0.242 nan 8.370 nan 0.000 0.478 70 P HA 0.181 nan 4.420 nan 0.000 0.288 70 P C -0.021 177.282 177.300 0.004 0.000 1.267 70 P CA -0.157 62.949 63.100 0.009 0.000 0.815 70 P CB 0.413 32.100 31.700 -0.022 0.000 0.989 71 H N 1.172 120.277 119.070 0.059 0.000 2.660 71 H HA 0.186 4.744 4.556 0.003 0.000 0.374 71 H C -0.368 175.022 175.328 0.104 0.000 1.291 71 H CA 0.040 56.163 56.048 0.125 0.000 1.437 71 H CB -0.294 29.555 29.762 0.147 0.000 1.509 71 H HN 0.443 nan 8.280 nan 0.000 0.614 72 Y N 0.338 120.686 120.300 0.080 0.000 2.497 72 Y HA 0.309 4.862 4.550 0.004 0.000 0.334 72 Y C 1.881 177.825 175.900 0.072 0.000 1.199 72 Y CA 1.061 59.210 58.100 0.082 0.000 1.425 72 Y CB 0.591 39.102 38.460 0.086 0.000 1.291 72 Y HN 1.145 nan 8.280 nan 0.000 0.562 73 G N 1.997 110.907 108.800 0.185 0.000 2.468 73 G HA2 -0.274 3.688 3.960 0.003 0.000 0.311 73 G HA3 -0.274 3.688 3.960 0.003 0.000 0.311 73 G C 0.058 175.014 174.900 0.095 0.000 0.942 73 G CA 0.344 45.521 45.100 0.129 0.000 0.893 73 G HN 0.493 nan 8.290 nan 0.000 0.513 74 V N -0.616 119.346 119.914 0.080 0.000 2.999 74 V HA 0.410 4.532 4.120 0.003 0.000 0.307 74 V C 1.705 177.830 176.094 0.051 0.000 1.084 74 V CA 1.122 63.460 62.300 0.063 0.000 1.155 74 V CB 1.534 33.392 31.823 0.058 0.000 0.975 74 V HN 0.522 nan 8.190 nan 0.000 0.490 75 G N 4.267 113.094 108.800 0.046 0.000 3.609 75 G HA2 0.348 4.310 3.960 0.003 0.000 0.280 75 G HA3 0.348 4.310 3.960 0.003 0.000 0.280 75 G C 0.318 175.238 174.900 0.034 0.000 1.155 75 G CA -0.283 44.841 45.100 0.040 0.000 0.876 75 G HN 0.759 nan 8.290 nan 0.000 0.535 76 R N -2.201 118.319 120.500 0.033 0.000 2.766 76 R HA 0.721 5.063 4.340 0.003 0.000 0.270 76 R C -2.291 174.025 176.300 0.026 0.000 1.035 76 R CA -0.703 55.415 56.100 0.029 0.000 0.911 76 R CB 1.346 31.664 30.300 0.031 0.000 1.243 76 R HN -0.102 nan 8.270 nan 0.000 0.460 77 V N 1.794 121.722 119.914 0.023 0.000 2.733 77 V HA 0.412 4.534 4.120 0.003 0.000 0.306 77 V C -0.642 175.466 176.094 0.023 0.000 1.084 77 V CA -0.919 61.392 62.300 0.018 0.000 0.905 77 V CB 2.144 33.971 31.823 0.008 0.000 1.010 77 V HN 0.571 nan 8.190 nan 0.000 0.424 78 I N 5.701 126.284 120.570 0.021 0.000 2.306 78 I HA 0.360 4.532 4.170 0.003 0.000 0.288 78 I C -0.025 176.106 176.117 0.023 0.000 1.036 78 I CA -0.126 61.186 61.300 0.020 0.000 1.221 78 I CB 1.049 39.052 38.000 0.005 0.000 1.385 78 I HN 0.428 nan 8.210 nan 0.000 0.472 79 L N 6.516 127.773 121.223 0.057 0.000 2.397 79 L HA 0.377 4.719 4.340 0.003 0.000 0.271 79 L C 0.082 177.011 176.870 0.097 0.000 1.148 79 L CA -0.591 54.290 54.840 0.068 0.000 0.825 79 L CB 0.787 42.892 42.059 0.076 0.000 1.117 79 L HN 0.197 nan 8.230 nan 0.000 0.456 80 V N 3.636 123.582 119.914 0.055 0.000 2.347 80 V HA 0.466 4.588 4.120 0.003 0.000 0.280 80 V C 0.013 176.193 176.094 0.144 0.000 1.021 80 V CA -0.529 61.801 62.300 0.051 0.000 0.847 80 V CB 1.267 33.040 31.823 -0.084 0.000 0.990 80 V HN 0.700 nan 8.190 nan 0.000 0.444 81 R N 2.880 123.541 120.500 0.269 0.000 2.513 81 R HA 0.296 4.638 4.340 0.003 0.000 0.301 81 R C -0.765 175.697 176.300 0.270 0.000 0.968 81 R CA -0.714 55.541 56.100 0.257 0.000 0.872 81 R CB 1.391 31.807 30.300 0.193 0.000 1.177 81 R HN 0.758 nan 8.270 nan 0.000 0.444 82 D N 3.665 124.173 120.400 0.179 0.000 2.520 82 D HA -0.028 4.614 4.640 0.003 0.000 0.243 82 D C 0.628 176.935 176.300 0.011 0.000 1.160 82 D CA 0.438 54.411 54.000 -0.045 0.000 0.877 82 D CB 1.074 41.824 40.800 -0.084 0.000 1.150 82 D HN 0.393 nan 8.370 nan 0.000 0.494 83 V N 1.576 121.492 119.914 0.004 0.000 3.043 83 V HA 0.232 4.354 4.120 0.003 0.000 0.357 83 V C 0.746 176.838 176.094 -0.003 0.000 1.372 83 V CA 0.254 62.574 62.300 0.032 0.000 1.214 83 V CB -0.198 31.672 31.823 0.079 0.000 1.224 83 V HN 0.466 nan 8.190 nan 0.000 0.507 84 S N -1.043 114.638 115.700 -0.032 0.000 2.952 84 S HA 0.328 4.800 4.470 0.003 0.000 0.251 84 S C 0.449 175.034 174.600 -0.025 0.000 1.021 84 S CA -0.243 57.939 58.200 -0.031 0.000 1.067 84 S CB -0.261 62.910 63.200 -0.049 0.000 1.002 84 S HN 0.575 nan 8.310 nan 0.000 0.574 85 K N 0.880 121.269 120.400 -0.019 0.000 3.071 85 K HA -0.189 4.133 4.320 0.003 0.000 0.265 85 K C 0.908 177.503 176.600 -0.008 0.000 1.060 85 K CA 0.542 56.822 56.287 -0.010 0.000 0.767 85 K CB -2.109 30.389 32.500 -0.004 0.000 1.241 85 K HN 1.188 nan 8.250 nan 0.000 0.486 86 G N -1.702 107.086 108.800 -0.020 0.000 2.211 86 G HA2 -0.211 3.751 3.960 0.003 0.000 0.201 86 G HA3 -0.211 3.751 3.960 0.003 0.000 0.201 86 G C 0.678 175.572 174.900 -0.009 0.000 0.997 86 G CA 0.206 45.303 45.100 -0.006 0.000 0.652 86 G HN 0.665 nan 8.290 nan 0.000 0.500 87 A N 0.544 123.344 122.820 -0.032 0.000 2.238 87 A HA 0.517 4.839 4.320 0.003 0.000 0.208 87 A C 1.283 178.830 177.584 -0.061 0.000 1.177 87 A CA 1.711 53.730 52.037 -0.029 0.000 0.804 87 A CB -0.489 18.496 19.000 -0.025 0.000 0.823 87 A HN 1.301 nan 8.150 nan 0.000 0.482 88 E N -0.718 119.388 120.200 -0.156 0.000 2.694 88 E HA -0.156 4.196 4.350 0.003 0.000 0.272 88 E C -0.926 175.457 176.600 -0.363 0.000 1.040 88 E CA 0.398 56.586 56.400 -0.354 0.000 0.809 88 E CB -1.556 28.134 29.700 -0.016 0.000 1.389 88 E HN 0.653 nan 8.360 nan 0.000 0.413 89 Q N 1.016 120.666 119.800 -0.250 0.000 2.423 89 Q HA 0.213 4.555 4.340 0.003 0.000 0.235 89 Q C -0.306 175.583 176.000 -0.184 0.000 1.100 89 Q CA 0.391 56.112 55.803 -0.137 0.000 0.908 89 Q CB 0.199 28.903 28.738 -0.058 0.000 1.312 89 Q HN 0.317 nan 8.270 nan 0.000 0.497 90 H N 0.178 119.257 119.070 0.014 0.000 2.481 90 H HA 0.631 5.189 4.556 0.003 0.000 0.339 90 H C -0.218 175.075 175.328 -0.058 0.000 1.131 90 H CA -0.396 55.653 56.048 0.003 0.000 1.301 90 H CB 1.226 30.988 29.762 0.000 0.000 1.476 90 H HN 0.654 nan 8.280 nan 0.000 0.529 91 A N 2.419 125.276 122.820 0.062 0.000 2.354 91 A HA 0.656 4.978 4.320 0.003 0.000 0.321 91 A C -1.006 176.420 177.584 -0.265 0.000 1.125 91 A CA -0.842 51.094 52.037 -0.168 0.000 0.799 91 A CB 0.869 19.703 19.000 -0.278 0.000 1.293 91 A HN 0.606 nan 8.150 nan 0.000 0.452 92 L N 0.566 121.507 121.223 -0.470 0.000 2.317 92 L HA 0.620 4.962 4.340 0.003 0.000 0.281 92 L C -1.366 175.162 176.870 -0.570 0.000 1.024 92 L CA -0.148 54.470 54.840 -0.370 0.000 0.810 92 L CB 1.133 42.992 42.059 -0.332 0.000 1.240 92 L HN 0.602 nan 8.230 nan 0.000 0.427 93 F N 1.000 120.912 119.950 -0.062 0.000 2.507 93 F HA 0.621 5.151 4.527 0.005 0.000 0.325 93 F C 0.470 176.247 175.800 -0.039 0.000 1.116 93 F CA -0.726 57.247 58.000 -0.045 0.000 0.930 93 F CB 1.582 40.559 39.000 -0.039 0.000 1.146 93 F HN 0.398 nan 8.300 nan 0.000 0.447 94 K N 1.776 122.246 120.400 0.117 0.000 2.156 94 K HA 0.833 5.155 4.320 0.003 0.000 0.271 94 K C -1.234 175.407 176.600 0.070 0.000 0.995 94 K CA -0.623 55.704 56.287 0.067 0.000 0.890 94 K CB 1.544 34.064 32.500 0.034 0.000 1.073 94 K HN 0.536 nan 8.250 nan 0.000 0.454 95 V N 3.182 123.123 119.914 0.046 0.000 2.482 95 V HA 0.263 4.385 4.120 0.003 0.000 0.295 95 V C -0.498 175.609 176.094 0.022 0.000 1.026 95 V CA -1.319 60.998 62.300 0.029 0.000 0.856 95 V CB 1.584 33.414 31.823 0.012 0.000 1.001 95 V HN 0.993 nan 8.190 nan 0.000 0.424 96 N N 2.774 121.487 118.700 0.021 0.000 2.497 96 N HA 0.035 4.777 4.740 0.003 0.000 0.268 96 N C 1.426 176.946 175.510 0.018 0.000 1.171 96 N CA 0.702 53.764 53.050 0.021 0.000 0.948 96 N CB 1.975 40.474 38.487 0.020 0.000 1.069 96 N HN 0.857 nan 8.380 nan 0.000 0.460 97 T N -0.051 114.515 114.554 0.021 0.000 3.035 97 T HA -0.036 4.316 4.350 0.003 0.000 0.268 97 T C 1.645 176.358 174.700 0.021 0.000 1.109 97 T CA 0.952 63.064 62.100 0.021 0.000 1.119 97 T CB -0.027 68.858 68.868 0.028 0.000 0.900 97 T HN 0.334 nan 8.240 nan 0.000 0.503 98 S N 1.258 116.971 115.700 0.020 0.000 2.371 98 S HA 0.171 4.643 4.470 0.003 0.000 0.224 98 S C 1.711 176.320 174.600 0.014 0.000 1.029 98 S CA 1.082 59.293 58.200 0.018 0.000 0.978 98 S CB -0.276 62.934 63.200 0.018 0.000 0.833 98 S HN 0.871 nan 8.310 nan 0.000 0.466 99 R N 2.667 123.175 120.500 0.012 0.000 2.790 99 R HA 0.445 4.787 4.340 0.003 0.000 0.274 99 R C -3.104 173.198 176.300 0.004 0.000 1.334 99 R CA -2.184 53.921 56.100 0.008 0.000 1.543 99 R CB -0.956 29.350 30.300 0.009 0.000 1.154 99 R HN 0.266 nan 8.270 nan 0.000 0.601 100 P HA 0.302 nan 4.420 nan 0.000 0.276 100 P C 0.679 177.970 177.300 -0.016 0.000 1.243 100 P CA 1.211 64.306 63.100 -0.008 0.000 0.768 100 P CB 1.423 33.121 31.700 -0.002 0.000 0.856 101 G N 0.684 109.466 108.800 -0.029 0.000 2.229 101 G HA2 -0.100 3.862 3.960 0.003 0.000 0.189 101 G HA3 -0.100 3.862 3.960 0.003 0.000 0.189 101 G C 0.105 174.985 174.900 -0.034 0.000 1.000 101 G CA 0.104 45.181 45.100 -0.038 0.000 0.663 101 G HN 0.866 nan 8.290 nan 0.000 0.493 102 E N 0.862 121.051 120.200 -0.019 0.000 2.133 102 E HA 0.724 5.076 4.350 0.003 0.000 0.274 102 E C -0.332 176.268 176.600 0.001 0.000 0.930 102 E CA -0.257 56.137 56.400 -0.009 0.000 0.770 102 E CB 0.880 30.581 29.700 0.001 0.000 1.104 102 E HN 0.592 nan 8.360 nan 0.000 0.403 103 E N 1.058 121.261 120.200 0.006 0.000 2.212 103 E HA 0.443 4.795 4.350 0.003 0.000 0.268 103 E C -0.771 175.892 176.600 0.106 0.000 0.902 103 E CA -0.709 55.720 56.400 0.049 0.000 0.779 103 E CB 2.254 31.948 29.700 -0.010 0.000 1.172 103 E HN 0.550 nan 8.360 nan 0.000 0.409 104 Q N 2.435 122.322 119.800 0.144 0.000 2.327 104 Q HA 0.278 4.620 4.340 0.003 0.000 0.270 104 Q C -1.038 175.046 176.000 0.140 0.000 1.022 104 Q CA -0.740 55.138 55.803 0.124 0.000 0.773 104 Q CB 1.417 30.191 28.738 0.060 0.000 1.251 104 Q HN 0.368 nan 8.270 nan 0.000 0.457 105 R N 3.579 124.156 120.500 0.129 0.000 2.491 105 R HA 0.197 4.539 4.340 0.003 0.000 0.283 105 R C -0.693 175.501 176.300 -0.176 0.000 1.072 105 R CA -0.074 55.932 56.100 -0.156 0.000 1.048 105 R CB 0.443 30.665 30.300 -0.129 0.000 0.983 105 R HN 0.622 nan 8.270 nan 0.000 0.450 106 L N 5.675 126.728 121.223 -0.283 0.000 2.358 106 L HA 0.137 4.479 4.340 0.003 0.000 0.274 106 L C 0.964 177.729 176.870 -0.175 0.000 1.136 106 L CA -0.341 54.391 54.840 -0.181 0.000 0.970 106 L CB 0.904 42.856 42.059 -0.178 0.000 1.314 106 L HN 0.709 nan 8.230 nan 0.000 0.427 107 E N 1.999 122.129 120.200 -0.117 0.000 2.204 107 E HA -0.183 4.169 4.350 0.003 0.000 0.195 107 E C 2.046 178.601 176.600 -0.075 0.000 0.990 107 E CA 1.145 57.489 56.400 -0.093 0.000 0.821 107 E CB 0.213 29.880 29.700 -0.055 0.000 0.750 107 E HN 0.774 nan 8.360 nan 0.000 0.477 108 A N 1.310 124.094 122.820 -0.060 0.000 1.972 108 A HA -0.067 4.255 4.320 0.003 0.000 0.219 108 A C 1.512 179.066 177.584 -0.051 0.000 1.169 108 A CA 0.604 52.618 52.037 -0.037 0.000 0.635 108 A CB -0.038 18.955 19.000 -0.012 0.000 0.810 108 A HN 0.061 nan 8.150 nan 0.000 0.446 109 V N 2.414 122.276 119.914 -0.087 0.000 2.353 109 V HA 0.180 4.302 4.120 0.003 0.000 0.264 109 V C 0.307 176.318 176.094 -0.138 0.000 1.049 109 V CA -0.729 61.499 62.300 -0.120 0.000 0.896 109 V CB 0.340 32.051 31.823 -0.186 0.000 1.025 109 V HN 0.644 nan 8.190 nan 0.000 0.475 110 K N 5.671 126.006 120.400 -0.108 0.000 2.319 110 K HA 0.371 4.693 4.320 0.003 0.000 0.265 110 K C -2.622 173.928 176.600 -0.084 0.000 1.000 110 K CA -1.455 54.782 56.287 -0.084 0.000 0.943 110 K CB -0.173 32.294 32.500 -0.054 0.000 0.950 110 K HN 0.281 nan 8.250 nan 0.000 0.485 111 P HA -0.106 nan 4.420 nan 0.000 0.258 111 P C -0.771 176.522 177.300 -0.012 0.000 1.172 111 P CA 0.678 63.755 63.100 -0.039 0.000 0.762 111 P CB 0.255 31.939 31.700 -0.027 0.000 0.764 112 M N 0.515 120.125 119.600 0.017 0.000 2.721 112 M HA 0.470 4.952 4.480 0.003 0.000 0.271 112 M C -0.746 175.645 176.300 0.151 0.000 1.259 112 M CA -1.286 54.054 55.300 0.066 0.000 0.835 112 M CB 2.332 34.974 32.600 0.070 0.000 1.689 112 M HN -0.099 nan 8.290 nan 0.000 0.470 113 R N 2.057 122.668 120.500 0.185 0.000 2.345 113 R HA 0.315 4.657 4.340 0.003 0.000 0.331 113 R C -1.018 175.444 176.300 0.271 0.000 1.067 113 R CA -0.250 56.035 56.100 0.307 0.000 0.962 113 R CB 0.123 30.579 30.300 0.260 0.000 0.987 113 R HN 0.635 nan 8.270 nan 0.000 0.451 114 I N 7.521 128.241 120.570 0.250 0.000 2.379 114 I HA -0.031 4.141 4.170 0.003 0.000 0.290 114 I C 1.188 177.326 176.117 0.035 0.000 1.063 114 I CA 0.132 61.462 61.300 0.050 0.000 1.351 114 I CB 1.259 39.162 38.000 -0.162 0.000 1.410 114 I HN 0.768 nan 8.210 nan 0.000 0.505 115 L N 4.926 126.238 121.223 0.149 0.000 2.357 115 L HA 0.080 4.422 4.340 0.003 0.000 0.211 115 L C 0.798 177.826 176.870 0.265 0.000 1.075 115 L CA 0.403 55.362 54.840 0.198 0.000 0.830 115 L CB -0.021 42.124 42.059 0.144 0.000 0.996 115 L HN 0.814 nan 8.230 nan 0.000 0.467 116 S N -1.608 114.240 115.700 0.246 0.000 2.656 116 S HA 0.753 5.225 4.470 0.003 0.000 0.265 116 S C -0.703 174.051 174.600 0.257 0.000 1.132 116 S CA -0.178 58.178 58.200 0.261 0.000 0.819 116 S CB 1.632 65.057 63.200 0.375 0.000 1.119 116 S HN 0.160 nan 8.310 nan 0.000 0.476 117 G N -0.625 108.311 108.800 0.227 0.000 2.377 117 G HA2 0.518 4.480 3.960 0.003 0.000 0.297 117 G HA3 0.518 4.480 3.960 0.003 0.000 0.297 117 G C -2.102 172.905 174.900 0.178 0.000 1.547 117 G CA -0.096 45.149 45.100 0.242 0.000 0.833 117 G HN 1.393 nan 8.290 nan 0.000 0.583 118 V N 0.628 120.649 119.914 0.177 0.000 2.656 118 V HA 0.643 4.765 4.120 0.003 0.000 0.307 118 V C -1.119 175.053 176.094 0.130 0.000 1.051 118 V CA -0.661 61.721 62.300 0.137 0.000 0.893 118 V CB 2.087 33.987 31.823 0.128 0.000 0.999 118 V HN 0.850 nan 8.190 nan 0.000 0.426 119 D N 2.031 122.492 120.400 0.102 0.000 2.349 119 D HA 0.379 5.021 4.640 0.003 0.000 0.232 119 D C 0.998 177.348 176.300 0.084 0.000 1.071 119 D CA -0.015 54.040 54.000 0.091 0.000 0.832 119 D CB 2.027 42.869 40.800 0.070 0.000 1.086 119 D HN 0.679 nan 8.370 nan 0.000 0.504 120 T N 0.572 115.177 114.554 0.084 0.000 3.081 120 T HA 0.351 4.703 4.350 0.003 0.000 0.250 120 T C 1.470 176.212 174.700 0.070 0.000 1.100 120 T CA 0.494 62.641 62.100 0.079 0.000 1.038 120 T CB 0.286 69.198 68.868 0.074 0.000 0.962 120 T HN 0.609 nan 8.240 nan 0.000 0.516 121 G N 0.685 109.524 108.800 0.065 0.000 2.345 121 G HA2 -0.237 3.725 3.960 0.003 0.000 0.218 121 G HA3 -0.237 3.725 3.960 0.003 0.000 0.218 121 G C 0.969 175.899 174.900 0.051 0.000 1.058 121 G CA 0.799 45.932 45.100 0.056 0.000 0.632 121 G HN 0.883 nan 8.290 nan 0.000 0.508 122 E N -0.229 120.002 120.200 0.052 0.000 2.389 122 E HA 0.785 5.137 4.350 0.003 0.000 0.199 122 E C 1.043 177.676 176.600 0.054 0.000 0.978 122 E CA 1.669 58.097 56.400 0.047 0.000 0.912 122 E CB 0.486 30.212 29.700 0.042 0.000 0.907 122 E HN 2.261 nan 8.360 nan 0.000 0.494 123 A N -0.205 122.654 122.820 0.064 0.000 2.455 123 A HA 0.628 4.950 4.320 0.003 0.000 0.300 123 A C -0.944 176.701 177.584 0.102 0.000 1.040 123 A CA -0.409 51.675 52.037 0.078 0.000 0.697 123 A CB 2.079 21.121 19.000 0.070 0.000 1.265 123 A HN 0.400 nan 8.150 nan 0.000 0.407 124 V N 3.011 123.006 119.914 0.135 0.000 2.318 124 V HA 0.388 4.510 4.120 0.003 0.000 0.271 124 V C -0.143 176.123 176.094 0.287 0.000 1.030 124 V CA -0.407 62.011 62.300 0.196 0.000 0.844 124 V CB 0.858 32.794 31.823 0.189 0.000 1.015 124 V HN 0.615 nan 8.190 nan 0.000 0.460 125 V N 6.825 126.885 119.914 0.243 0.000 2.435 125 V HA 0.720 4.842 4.120 0.003 0.000 0.290 125 V C -0.313 175.964 176.094 0.305 0.000 1.030 125 V CA -0.480 61.930 62.300 0.184 0.000 0.881 125 V CB 1.067 32.958 31.823 0.112 0.000 0.983 125 V HN 0.810 nan 8.190 nan 0.000 0.445 126 F N 1.056 121.097 119.950 0.153 0.000 2.686 126 F HA 0.846 5.376 4.527 0.004 0.000 0.311 126 F C -0.295 175.624 175.800 0.198 0.000 1.128 126 F CA -0.899 57.196 58.000 0.158 0.000 0.946 126 F CB 1.629 40.700 39.000 0.119 0.000 1.336 126 F HN 0.443 nan 8.300 nan 0.000 0.457 127 T N -0.907 113.860 114.554 0.356 0.000 2.888 127 T HA 0.886 5.238 4.350 0.003 0.000 0.284 127 T C -0.364 174.553 174.700 0.363 0.000 1.017 127 T CA -0.444 61.800 62.100 0.240 0.000 1.022 127 T CB 1.447 70.395 68.868 0.132 0.000 1.013 127 T HN 1.423 nan 8.240 nan 0.000 0.465 128 G N -0.088 108.907 108.800 0.325 0.000 2.733 128 G HA2 0.696 4.658 3.960 0.003 0.000 0.297 128 G HA3 0.696 4.658 3.960 0.003 0.000 0.297 128 G C -1.419 173.602 174.900 0.203 0.000 1.422 128 G CA -0.769 44.528 45.100 0.329 0.000 0.942 128 G HN 1.054 nan 8.290 nan 0.000 0.510 129 A N 0.802 123.703 122.820 0.135 0.000 2.318 129 A HA 0.937 5.259 4.320 0.003 0.000 0.324 129 A C 0.457 178.090 177.584 0.082 0.000 1.170 129 A CA 0.100 52.169 52.037 0.052 0.000 0.810 129 A CB 1.415 20.398 19.000 -0.030 0.000 1.198 129 A HN 1.676 nan 8.150 nan 0.000 0.484 130 T N -1.529 113.059 114.554 0.057 0.000 2.762 130 T HA 0.436 4.788 4.350 0.003 0.000 0.272 130 T C 0.857 175.567 174.700 0.017 0.000 0.982 130 T CA 0.128 62.257 62.100 0.048 0.000 1.013 130 T CB 1.032 69.935 68.868 0.059 0.000 1.309 130 T HN 0.583 nan 8.240 nan 0.000 0.572 131 E N 0.230 120.436 120.200 0.011 0.000 2.077 131 E HA -0.181 4.171 4.350 0.003 0.000 0.193 131 E C 1.333 177.920 176.600 -0.021 0.000 0.989 131 E CA 1.757 58.153 56.400 -0.006 0.000 0.800 131 E CB -0.071 29.626 29.700 -0.005 0.000 0.746 131 E HN 0.772 nan 8.360 nan 0.000 0.452 132 D N -0.188 120.204 120.400 -0.014 0.000 2.354 132 D HA -0.059 4.583 4.640 0.003 0.000 0.209 132 D C 0.554 176.831 176.300 -0.039 0.000 1.015 132 D CA 0.189 54.175 54.000 -0.023 0.000 0.867 132 D CB 0.096 40.889 40.800 -0.013 0.000 0.933 132 D HN 0.173 nan 8.370 nan 0.000 0.520 133 R N -1.635 118.841 120.500 -0.039 0.000 2.728 133 R HA 0.516 4.858 4.340 0.003 0.000 0.274 133 R C -2.053 174.202 176.300 -0.076 0.000 1.032 133 R CA -0.928 55.131 56.100 -0.069 0.000 0.866 133 R CB 0.729 30.986 30.300 -0.072 0.000 1.263 133 R HN -0.157 nan 8.270 nan 0.000 0.475 134 V N 0.533 120.370 119.914 -0.128 0.000 2.483 134 V HA 0.882 5.004 4.120 0.003 0.000 0.295 134 V C -0.169 175.819 176.094 -0.176 0.000 1.035 134 V CA -0.067 62.149 62.300 -0.139 0.000 0.896 134 V CB 1.227 32.929 31.823 -0.202 0.000 0.986 134 V HN 1.008 nan 8.190 nan 0.000 0.447 135 A N 3.894 126.608 122.820 -0.177 0.000 2.609 135 A HA 0.863 5.185 4.320 0.003 0.000 0.291 135 A C -1.727 175.610 177.584 -0.411 0.000 1.096 135 A CA -0.603 51.214 52.037 -0.368 0.000 0.684 135 A CB 1.654 20.316 19.000 -0.564 0.000 1.282 135 A HN 0.843 nan 8.150 nan 0.000 0.412 136 L N 0.793 121.719 121.223 -0.496 0.000 2.296 136 L HA 0.776 5.118 4.340 0.003 0.000 0.286 136 L C -1.559 174.963 176.870 -0.581 0.000 1.023 136 L CA -0.101 54.513 54.840 -0.377 0.000 0.812 136 L CB 0.700 42.638 42.059 -0.202 0.000 1.223 136 L HN 0.642 nan 8.230 nan 0.000 0.421 137 Y N 3.366 123.377 120.300 -0.481 0.000 2.562 137 Y HA 0.820 5.373 4.550 0.004 0.000 0.343 137 Y C 0.008 175.605 175.900 -0.505 0.000 1.025 137 Y CA -0.723 57.010 58.100 -0.612 0.000 1.082 137 Y CB 2.251 40.013 38.460 -1.163 0.000 1.264 137 Y HN 0.678 nan 8.280 nan 0.000 0.478 138 A N 2.400 125.167 122.820 -0.089 0.000 2.359 138 A HA 0.687 5.009 4.320 0.003 0.000 0.303 138 A C -2.181 175.450 177.584 0.079 0.000 1.066 138 A CA -0.554 51.481 52.037 -0.003 0.000 0.730 138 A CB 1.126 20.131 19.000 0.009 0.000 1.211 138 A HN 0.635 nan 8.150 nan 0.000 0.439 139 L N 3.439 124.750 121.223 0.148 0.000 2.318 139 L HA 0.663 5.005 4.340 0.003 0.000 0.277 139 L C -0.670 176.261 176.870 0.102 0.000 1.008 139 L CA -0.225 54.702 54.840 0.145 0.000 0.846 139 L CB 0.931 43.114 42.059 0.207 0.000 1.220 139 L HN 0.852 nan 8.230 nan 0.000 0.423 140 D N 2.378 122.820 120.400 0.071 0.000 2.668 140 D HA 0.446 5.088 4.640 0.003 0.000 0.249 140 D C 1.048 177.374 176.300 0.042 0.000 1.150 140 D CA -0.079 53.954 54.000 0.055 0.000 1.090 140 D CB 0.324 41.152 40.800 0.046 0.000 1.244 140 D HN 0.335 nan 8.370 nan 0.000 0.636 141 G N -1.837 106.984 108.800 0.034 0.000 2.598 141 G HA2 0.167 4.129 3.960 0.003 0.000 0.215 141 G HA3 0.167 4.129 3.960 0.003 0.000 0.215 141 G C 0.984 175.898 174.900 0.024 0.000 1.131 141 G CA 0.315 45.431 45.100 0.027 0.000 0.785 141 G HN 0.608 nan 8.290 nan 0.000 0.539 142 G N -0.533 108.282 108.800 0.025 0.000 3.707 142 G HA2 0.533 4.495 3.960 0.003 0.000 0.286 142 G HA3 0.533 4.495 3.960 0.003 0.000 0.286 142 G C 0.667 175.582 174.900 0.024 0.000 1.112 142 G CA 0.419 45.532 45.100 0.022 0.000 0.861 142 G HN 1.078 nan 8.290 nan 0.000 0.534 143 G N -0.502 108.315 108.800 0.029 0.000 2.549 143 G HA2 0.133 4.095 3.960 0.003 0.000 0.404 143 G HA3 0.133 4.095 3.960 0.003 0.000 0.404 143 G C -0.948 173.980 174.900 0.046 0.000 1.292 143 G CA -0.351 44.768 45.100 0.031 0.000 0.935 143 G HN 0.963 nan 8.290 nan 0.000 0.512 144 L N 0.158 121.412 121.223 0.051 0.000 2.309 144 L HA 0.937 5.279 4.340 0.003 0.000 0.282 144 L C 0.409 177.328 176.870 0.081 0.000 1.036 144 L CA -0.600 54.286 54.840 0.077 0.000 0.806 144 L CB 1.319 43.422 42.059 0.074 0.000 1.220 144 L HN 0.748 nan 8.230 nan 0.000 0.429 145 R N 3.198 123.755 120.500 0.095 0.000 2.686 145 R HA 0.375 4.717 4.340 0.003 0.000 0.283 145 R C -1.138 175.210 176.300 0.081 0.000 0.978 145 R CA -0.752 55.391 56.100 0.071 0.000 0.897 145 R CB 1.881 32.197 30.300 0.026 0.000 1.192 145 R HN 0.586 nan 8.270 nan 0.000 0.457 146 E N 3.914 124.126 120.200 0.021 0.000 2.052 146 E HA 0.071 4.423 4.350 0.003 0.000 0.283 146 E C 0.547 177.031 176.600 -0.193 0.000 1.071 146 E CA -0.086 56.204 56.400 -0.183 0.000 0.851 146 E CB 0.747 30.337 29.700 -0.183 0.000 1.066 146 E HN 0.539 nan 8.360 nan 0.000 0.396 147 L N 2.735 123.816 121.223 -0.236 0.000 2.072 147 L HA 0.128 4.469 4.340 0.003 0.000 0.205 147 L C 0.911 177.678 176.870 -0.172 0.000 1.079 147 L CA 0.647 55.392 54.840 -0.159 0.000 0.752 147 L CB -0.145 41.838 42.059 -0.126 0.000 0.906 147 L HN 0.458 nan 8.230 nan 0.000 0.436 148 A N -0.668 122.002 122.820 -0.249 0.000 2.599 148 A HA 0.559 4.881 4.320 0.003 0.000 0.294 148 A C -1.044 176.356 177.584 -0.307 0.000 1.055 148 A CA -0.647 51.246 52.037 -0.239 0.000 0.683 148 A CB 1.130 20.008 19.000 -0.204 0.000 1.278 148 A HN 0.032 nan 8.150 nan 0.000 0.412 149 R N 0.475 120.809 120.500 -0.277 0.000 2.368 149 R HA 0.684 5.026 4.340 0.003 0.000 0.302 149 R C -1.025 175.063 176.300 -0.353 0.000 1.002 149 R CA -0.390 55.536 56.100 -0.290 0.000 0.929 149 R CB 0.825 30.988 30.300 -0.228 0.000 1.073 149 R HN 0.651 nan 8.270 nan 0.000 0.464 150 L N 5.122 126.121 121.223 -0.373 0.000 2.325 150 L HA 0.408 4.750 4.340 0.003 0.000 0.278 150 L C -1.625 174.962 176.870 -0.472 0.000 1.023 150 L CA -2.199 52.331 54.840 -0.516 0.000 0.811 150 L CB 1.746 43.592 42.059 -0.356 0.000 1.249 150 L HN 0.459 nan 8.230 nan 0.000 0.431 151 P HA -0.065 nan 4.420 nan 0.000 0.215 151 P C 0.494 177.698 177.300 -0.160 0.000 1.153 151 P CA 0.731 63.592 63.100 -0.398 0.000 0.853 151 P CB 0.337 31.750 31.700 -0.478 0.000 0.788 152 G N -2.981 105.814 108.800 -0.008 0.000 2.846 152 G HA2 0.415 4.377 3.960 0.003 0.000 0.299 152 G HA3 0.415 4.377 3.960 0.003 0.000 0.299 152 G C -1.299 173.663 174.900 0.102 0.000 1.242 152 G CA -0.836 44.305 45.100 0.069 0.000 0.800 152 G HN -0.097 nan 8.290 nan 0.000 0.538 153 F N 0.951 120.933 119.950 0.053 0.000 2.604 153 F HA 0.341 4.870 4.527 0.003 0.000 0.390 153 F C 1.291 177.003 175.800 -0.147 0.000 1.053 153 F CA 1.732 59.621 58.000 -0.185 0.000 1.256 153 F CB 0.532 39.349 39.000 -0.304 0.000 0.996 153 F HN 0.530 nan 8.300 nan 0.000 0.564 154 G N 3.452 112.075 108.800 -0.295 0.000 2.719 154 G HA2 0.655 4.617 3.960 0.003 0.000 0.298 154 G HA3 0.655 4.617 3.960 0.003 0.000 0.298 154 G C -1.993 172.696 174.900 -0.352 0.000 1.411 154 G CA -0.695 44.323 45.100 -0.136 0.000 0.991 154 G HN 0.397 nan 8.290 nan 0.000 0.509 155 F N 1.123 121.330 119.950 0.429 0.000 2.536 155 F HA 0.403 4.932 4.527 0.003 0.000 0.322 155 F C 0.289 176.218 175.800 0.216 0.000 1.144 155 F CA -1.027 57.142 58.000 0.283 0.000 0.924 155 F CB 2.522 41.647 39.000 0.208 0.000 1.181 155 F HN 0.268 nan 8.300 nan 0.000 0.438 156 V N 2.851 122.978 119.914 0.354 0.000 2.521 156 V HA 0.042 4.164 4.120 0.003 0.000 0.286 156 V C 0.533 176.716 176.094 0.149 0.000 1.034 156 V CA 0.673 63.096 62.300 0.205 0.000 1.045 156 V CB 1.035 32.982 31.823 0.206 0.000 0.974 156 V HN 1.002 nan 8.190 nan 0.000 0.480 157 S N 2.313 118.036 115.700 0.038 0.000 2.506 157 S HA 0.144 4.616 4.470 0.003 0.000 0.230 157 S C 0.256 174.875 174.600 0.032 0.000 1.066 157 S CA 0.268 58.482 58.200 0.023 0.000 0.940 157 S CB 0.200 63.358 63.200 -0.068 0.000 0.818 157 S HN 0.943 nan 8.310 nan 0.000 0.518 158 D N -0.887 119.520 120.400 0.011 0.000 2.706 158 D HA 0.419 5.061 4.640 0.003 0.000 0.227 158 D C -1.865 174.452 176.300 0.028 0.000 1.233 158 D CA -0.365 53.655 54.000 0.034 0.000 0.768 158 D CB 1.095 41.903 40.800 0.014 0.000 1.490 158 D HN 0.020 nan 8.370 nan 0.000 0.458 159 I N 1.856 122.457 120.570 0.052 0.000 2.499 159 I HA 0.477 4.649 4.170 0.003 0.000 0.288 159 I C -0.444 175.697 176.117 0.040 0.000 1.048 159 I CA -0.804 60.521 61.300 0.043 0.000 1.062 159 I CB 2.275 40.311 38.000 0.059 0.000 1.238 159 I HN 0.119 nan 8.210 nan 0.000 0.426 160 R N 4.428 124.938 120.500 0.016 0.000 2.473 160 R HA 0.572 4.914 4.340 0.003 0.000 0.303 160 R C 0.423 176.723 176.300 0.000 0.000 1.002 160 R CA 0.348 56.451 56.100 0.005 0.000 0.884 160 R CB 1.530 31.814 30.300 -0.026 0.000 1.173 160 R HN 0.943 nan 8.270 nan 0.000 0.464 161 G N 3.687 112.493 108.800 0.010 0.000 2.565 161 G HA2 -0.367 3.595 3.960 0.003 0.000 0.295 161 G HA3 -0.367 3.595 3.960 0.003 0.000 0.295 161 G C 0.244 175.153 174.900 0.015 0.000 1.165 161 G CA 0.601 45.706 45.100 0.009 0.000 0.977 161 G HN 0.639 nan 8.290 nan 0.000 0.546 162 D N 0.175 120.581 120.400 0.011 0.000 2.369 162 D HA 0.336 4.978 4.640 0.003 0.000 0.211 162 D C 0.670 176.980 176.300 0.018 0.000 1.077 162 D CA -0.102 53.908 54.000 0.016 0.000 0.842 162 D CB 0.249 41.056 40.800 0.013 0.000 0.947 162 D HN 0.272 nan 8.370 nan 0.000 0.509 163 L N 1.308 122.538 121.223 0.011 0.000 2.290 163 L HA 0.387 4.729 4.340 0.003 0.000 0.284 163 L C -0.634 176.245 176.870 0.015 0.000 1.078 163 L CA -0.190 54.657 54.840 0.012 0.000 0.815 163 L CB 0.683 42.739 42.059 -0.006 0.000 1.162 163 L HN -0.151 nan 8.230 nan 0.000 0.435 164 I N 5.326 125.914 120.570 0.029 0.000 2.362 164 I HA 0.620 4.792 4.170 0.003 0.000 0.289 164 I C -0.056 176.050 176.117 -0.018 0.000 0.994 164 I CA -0.336 60.980 61.300 0.028 0.000 1.158 164 I CB 1.600 39.644 38.000 0.073 0.000 1.315 164 I HN 0.755 nan 8.210 nan 0.000 0.451 165 A N 4.492 127.257 122.820 -0.093 0.000 2.337 165 A HA 1.005 5.327 4.320 0.003 0.000 0.331 165 A C -0.125 177.218 177.584 -0.401 0.000 1.137 165 A CA -0.427 51.474 52.037 -0.227 0.000 0.807 165 A CB 1.610 20.505 19.000 -0.176 0.000 1.250 165 A HN 0.831 nan 8.150 nan 0.000 0.468 166 G N -0.728 107.611 108.800 -0.769 0.000 2.550 166 G HA2 0.557 4.519 3.960 0.003 0.000 0.293 166 G HA3 0.557 4.519 3.960 0.003 0.000 0.293 166 G C -1.882 172.565 174.900 -0.755 0.000 1.402 166 G CA -0.681 43.888 45.100 -0.885 0.000 0.784 166 G HN 0.770 nan 8.290 nan 0.000 0.482 167 L N 0.094 121.179 121.223 -0.231 0.000 2.365 167 L HA 0.763 5.105 4.340 0.003 0.000 0.273 167 L C 0.358 177.364 176.870 0.227 0.000 1.000 167 L CA -0.794 54.056 54.840 0.018 0.000 0.819 167 L CB 2.493 44.612 42.059 0.100 0.000 1.284 167 L HN 0.784 nan 8.230 nan 0.000 0.418 168 G N 1.477 110.188 108.800 -0.150 0.000 2.626 168 G HA2 0.568 4.530 3.960 0.003 0.000 0.304 168 G HA3 0.568 4.530 3.960 0.003 0.000 0.304 168 G C -1.098 173.375 174.900 -0.713 0.000 1.385 168 G CA -0.312 44.275 45.100 -0.855 0.000 0.957 168 G HN 0.314 nan 8.290 nan 0.000 0.504 169 F N 3.063 122.908 119.950 -0.176 0.000 2.652 169 F HA 0.324 4.853 4.527 0.004 0.000 0.352 169 F C 0.847 176.853 175.800 0.343 0.000 1.259 169 F CA -0.494 57.600 58.000 0.157 0.000 1.249 169 F CB -0.012 39.216 39.000 0.380 0.000 1.628 169 F HN 0.528 nan 8.300 nan 0.000 0.654 170 F N 0.481 120.580 119.950 0.248 0.000 2.678 170 F HA 0.404 4.933 4.527 0.003 0.000 0.305 170 F C 1.178 177.058 175.800 0.132 0.000 1.090 170 F CA -0.358 57.736 58.000 0.156 0.000 1.272 170 F CB 0.826 39.877 39.000 0.086 0.000 1.060 170 F HN 0.363 nan 8.300 nan 0.000 0.576 171 G N -0.832 108.161 108.800 0.323 0.000 2.299 171 G HA2 0.367 4.329 3.960 0.003 0.000 0.312 171 G HA3 0.367 4.329 3.960 0.003 0.000 0.312 171 G C 0.158 175.158 174.900 0.167 0.000 1.654 171 G CA -0.153 45.075 45.100 0.214 0.000 0.912 171 G HN 0.274 nan 8.290 nan 0.000 0.667 172 G N -0.181 108.706 108.800 0.145 0.000 2.160 172 G HA2 0.283 4.245 3.960 0.003 0.000 0.251 172 G HA3 0.283 4.245 3.960 0.003 0.000 0.251 172 G C 1.933 176.906 174.900 0.122 0.000 1.008 172 G CA 1.399 46.562 45.100 0.106 0.000 0.724 172 G HN 2.885 nan 8.290 nan 0.000 0.514 173 G N -1.508 107.413 108.800 0.203 0.000 2.225 173 G HA2 -0.282 3.680 3.960 0.003 0.000 0.254 173 G HA3 -0.282 3.680 3.960 0.003 0.000 0.254 173 G C 0.543 175.477 174.900 0.056 0.000 0.988 173 G CA 1.020 46.255 45.100 0.226 0.000 0.625 173 G HN 1.050 nan 8.290 nan 0.000 0.527 174 R N -0.148 120.370 120.500 0.030 0.000 2.539 174 R HA 0.514 4.856 4.340 0.003 0.000 0.275 174 R C -0.086 176.093 176.300 -0.201 0.000 1.077 174 R CA -0.285 55.767 56.100 -0.081 0.000 1.097 174 R CB 1.450 31.734 30.300 -0.026 0.000 1.018 174 R HN 0.097 nan 8.270 nan 0.000 0.483 175 V N 2.333 122.054 119.914 -0.321 0.000 2.347 175 V HA 0.188 4.310 4.120 0.003 0.000 0.280 175 V C 0.027 176.058 176.094 -0.105 0.000 1.021 175 V CA -0.507 61.524 62.300 -0.448 0.000 0.847 175 V CB 1.356 32.829 31.823 -0.584 0.000 0.990 175 V HN 0.780 nan 8.190 nan 0.000 0.444 176 S N 4.483 120.131 115.700 -0.086 0.000 2.693 176 S HA 0.694 5.166 4.470 0.003 0.000 0.276 176 S C -0.375 174.289 174.600 0.107 0.000 1.192 176 S CA -0.502 57.778 58.200 0.133 0.000 0.994 176 S CB 1.600 64.865 63.200 0.109 0.000 1.012 176 S HN 0.547 nan 8.310 nan 0.000 0.550 177 L N 2.206 123.480 121.223 0.085 0.000 2.322 177 L HA 0.701 5.043 4.340 0.003 0.000 0.279 177 L C -1.088 175.881 176.870 0.166 0.000 1.036 177 L CA -0.378 54.395 54.840 -0.113 0.000 0.807 177 L CB 0.563 42.316 42.059 -0.509 0.000 1.226 177 L HN 0.635 nan 8.230 nan 0.000 0.433 178 F N 1.294 121.283 119.950 0.065 0.000 2.576 178 F HA 0.892 5.421 4.527 0.003 0.000 0.313 178 F C -0.484 175.388 175.800 0.120 0.000 1.078 178 F CA -0.563 57.496 58.000 0.097 0.000 0.921 178 F CB 1.251 40.344 39.000 0.155 0.000 1.232 178 F HN 0.548 nan 8.300 nan 0.000 0.459 179 T N -0.380 114.375 114.554 0.336 0.000 2.942 179 T HA 0.807 5.159 4.350 0.003 0.000 0.289 179 T C -0.751 174.104 174.700 0.258 0.000 1.044 179 T CA -0.785 61.457 62.100 0.237 0.000 1.023 179 T CB 1.633 70.644 68.868 0.239 0.000 1.123 179 T HN 0.996 nan 8.240 nan 0.000 0.512 180 S N -0.011 115.793 115.700 0.174 0.000 2.615 180 S HA 0.457 4.929 4.470 0.003 0.000 0.269 180 S C -1.835 172.808 174.600 0.071 0.000 1.161 180 S CA -0.902 57.368 58.200 0.116 0.000 0.817 180 S CB 1.594 64.868 63.200 0.124 0.000 1.131 180 S HN 0.849 nan 8.310 nan 0.000 0.467 181 N N 1.905 120.631 118.700 0.043 0.000 2.421 181 N HA 0.249 4.991 4.740 0.003 0.000 0.285 181 N C 0.758 176.281 175.510 0.022 0.000 1.027 181 N CA -0.354 52.713 53.050 0.029 0.000 0.918 181 N CB 1.502 40.001 38.487 0.018 0.000 1.152 181 N HN 0.595 nan 8.380 nan 0.000 0.485 182 L N 3.820 125.058 121.223 0.025 0.000 2.131 182 L HA -0.092 4.250 4.340 0.003 0.000 0.210 182 L C 1.677 178.557 176.870 0.016 0.000 1.092 182 L CA 1.893 56.747 54.840 0.024 0.000 0.759 182 L CB -0.336 41.741 42.059 0.029 0.000 0.903 182 L HN 0.537 nan 8.230 nan 0.000 0.435 183 S N -1.551 114.157 115.700 0.013 0.000 2.427 183 S HA 0.019 4.491 4.470 0.003 0.000 0.224 183 S C 1.636 176.237 174.600 0.003 0.000 1.047 183 S CA 0.774 58.980 58.200 0.010 0.000 0.953 183 S CB -0.027 63.179 63.200 0.010 0.000 0.824 183 S HN 0.652 nan 8.310 nan 0.000 0.502 184 S N 0.669 116.370 115.700 0.001 0.000 2.539 184 S HA 0.543 5.015 4.470 0.003 0.000 0.221 184 S C 1.262 175.854 174.600 -0.014 0.000 0.987 184 S CA 0.204 58.401 58.200 -0.006 0.000 0.929 184 S CB -0.022 63.175 63.200 -0.003 0.000 0.832 184 S HN 0.729 nan 8.310 nan 0.000 0.492 185 G N 1.371 110.163 108.800 -0.013 0.000 2.564 185 G HA2 0.251 4.213 3.960 0.003 0.000 0.273 185 G HA3 0.251 4.213 3.960 0.003 0.000 0.273 185 G C 0.460 175.347 174.900 -0.022 0.000 1.242 185 G CA -0.186 44.899 45.100 -0.026 0.000 0.951 185 G HN 2.049 nan 8.290 nan 0.000 0.564 186 G N -2.673 106.101 108.800 -0.043 0.000 2.631 186 G HA2 0.479 4.441 3.960 0.003 0.000 0.504 186 G HA3 0.479 4.441 3.960 0.003 0.000 0.504 186 G C -0.923 173.952 174.900 -0.041 0.000 1.306 186 G CA 0.272 45.346 45.100 -0.043 0.000 0.897 186 G HN 2.363 nan 8.290 nan 0.000 0.520 187 L N -0.619 120.575 121.223 -0.047 0.000 2.676 187 L HA 0.859 5.201 4.340 0.003 0.000 0.262 187 L C 0.111 176.940 176.870 -0.068 0.000 0.932 187 L CA 0.641 55.454 54.840 -0.044 0.000 0.932 187 L CB 1.259 43.246 42.059 -0.119 0.000 1.355 187 L HN 1.944 nan 8.230 nan 0.000 0.421 188 R N 3.251 123.712 120.500 -0.065 0.000 2.532 188 R HA 0.964 5.306 4.340 0.003 0.000 0.295 188 R C -1.454 174.592 176.300 -0.423 0.000 0.968 188 R CA -0.241 55.704 56.100 -0.258 0.000 0.916 188 R CB 1.763 31.916 30.300 -0.244 0.000 1.124 188 R HN 0.480 nan 8.270 nan 0.000 0.463 189 V N 2.610 122.174 119.914 -0.584 0.000 2.588 189 V HA 0.687 4.809 4.120 0.003 0.000 0.304 189 V C -1.222 174.522 176.094 -0.584 0.000 1.042 189 V CA -0.847 61.213 62.300 -0.400 0.000 0.877 189 V CB 1.563 33.375 31.823 -0.018 0.000 0.996 189 V HN 0.778 nan 8.190 nan 0.000 0.425 190 F N 2.346 122.369 119.950 0.122 0.000 2.460 190 F HA 0.571 5.100 4.527 0.003 0.000 0.341 190 F C 0.041 175.963 175.800 0.204 0.000 1.130 190 F CA -0.643 57.423 58.000 0.109 0.000 0.962 190 F CB 1.615 40.629 39.000 0.022 0.000 1.171 190 F HN 0.365 nan 8.300 nan 0.000 0.436 191 D N 1.819 122.419 120.400 0.334 0.000 2.391 191 D HA 0.162 4.804 4.640 0.003 0.000 0.245 191 D C -0.592 175.837 176.300 0.215 0.000 1.069 191 D CA -0.219 53.942 54.000 0.268 0.000 0.831 191 D CB 2.313 43.210 40.800 0.162 0.000 1.204 191 D HN 0.388 nan 8.370 nan 0.000 0.503 192 S N 0.589 116.369 115.700 0.132 0.000 2.584 192 S HA 0.423 4.895 4.470 0.003 0.000 0.273 192 S C 1.338 175.921 174.600 -0.029 0.000 1.311 192 S CA -0.397 57.798 58.200 -0.009 0.000 1.034 192 S CB 1.205 64.231 63.200 -0.291 0.000 0.939 192 S HN 0.504 nan 8.310 nan 0.000 0.513 193 G N 2.345 111.136 108.800 -0.015 0.000 2.777 193 G HA2 0.074 4.036 3.960 0.003 0.000 0.211 193 G HA3 0.074 4.036 3.960 0.003 0.000 0.211 193 G C 0.970 175.849 174.900 -0.035 0.000 1.149 193 G CA 0.019 45.111 45.100 -0.012 0.000 0.785 193 G HN 0.795 nan 8.290 nan 0.000 0.536 194 E N -0.650 119.510 120.200 -0.066 0.000 2.276 194 E HA 0.336 4.688 4.350 0.003 0.000 0.193 194 E C 1.379 177.921 176.600 -0.097 0.000 0.983 194 E CA 0.405 56.762 56.400 -0.071 0.000 0.861 194 E CB 0.693 30.348 29.700 -0.075 0.000 0.817 194 E HN 0.373 nan 8.360 nan 0.000 0.485 195 G N 0.156 108.863 108.800 -0.155 0.000 2.441 195 G HA2 0.175 4.137 3.960 0.003 0.000 0.225 195 G HA3 0.175 4.137 3.960 0.003 0.000 0.225 195 G C -1.246 173.488 174.900 -0.276 0.000 1.200 195 G CA -0.617 44.378 45.100 -0.176 0.000 0.947 195 G HN 0.002 nan 8.290 nan 0.000 0.484 196 S N -0.378 115.148 115.700 -0.291 0.000 2.500 196 S HA 0.696 5.168 4.470 0.003 0.000 0.301 196 S C -1.053 173.344 174.600 -0.339 0.000 1.092 196 S CA -0.398 57.616 58.200 -0.309 0.000 1.030 196 S CB 1.246 64.310 63.200 -0.227 0.000 1.031 196 S HN 0.412 nan 8.310 nan 0.000 0.483 197 F N 2.189 122.072 119.950 -0.111 0.000 2.456 197 F HA 0.207 4.736 4.527 0.003 0.000 0.358 197 F C 1.812 177.544 175.800 -0.114 0.000 1.095 197 F CA -0.138 57.804 58.000 -0.097 0.000 1.216 197 F CB 1.017 39.964 39.000 -0.090 0.000 1.125 197 F HN 0.730 nan 8.300 nan 0.000 0.549 198 S N 0.452 116.209 115.700 0.095 0.000 2.499 198 S HA 0.197 4.669 4.470 0.003 0.000 0.225 198 S C 0.326 174.945 174.600 0.032 0.000 1.050 198 S CA 0.442 58.666 58.200 0.040 0.000 0.928 198 S CB -0.029 63.193 63.200 0.037 0.000 0.803 198 S HN 0.591 nan 8.310 nan 0.000 0.506 199 S N -0.114 115.597 115.700 0.018 0.000 2.607 199 S HA 0.879 5.351 4.470 0.003 0.000 0.273 199 S C -0.974 173.560 174.600 -0.110 0.000 1.148 199 S CA -0.447 57.715 58.200 -0.063 0.000 0.833 199 S CB 1.417 64.549 63.200 -0.114 0.000 1.130 199 S HN 1.216 nan 8.310 nan 0.000 0.470 200 A N 0.423 123.136 122.820 -0.179 0.000 2.549 200 A HA 0.927 5.249 4.320 0.003 0.000 0.297 200 A C -0.668 176.796 177.584 -0.200 0.000 1.061 200 A CA -0.600 51.324 52.037 -0.188 0.000 0.690 200 A CB 1.637 20.518 19.000 -0.197 0.000 1.287 200 A HN 1.572 nan 8.150 nan 0.000 0.402 201 S N 0.776 116.390 115.700 -0.143 0.000 2.548 201 S HA 0.540 5.012 4.470 0.003 0.000 0.278 201 S C -1.311 173.323 174.600 0.057 0.000 1.150 201 S CA -0.522 57.648 58.200 -0.050 0.000 0.907 201 S CB 0.541 63.685 63.200 -0.094 0.000 1.108 201 S HN 0.678 nan 8.310 nan 0.000 0.459 202 I N 4.420 125.004 120.570 0.023 0.000 2.379 202 I HA 0.247 4.419 4.170 0.003 0.000 0.290 202 I C 1.019 177.010 176.117 -0.209 0.000 1.063 202 I CA -0.277 60.986 61.300 -0.061 0.000 1.351 202 I CB 1.233 39.191 38.000 -0.071 0.000 1.410 202 I HN 0.694 nan 8.210 nan 0.000 0.505 203 S N 6.671 122.158 115.700 -0.355 0.000 2.600 203 S HA 0.251 4.723 4.470 0.003 0.000 0.265 203 S C -1.659 172.642 174.600 -0.497 0.000 1.325 203 S CA -1.009 56.697 58.200 -0.823 0.000 1.002 203 S CB 0.815 63.706 63.200 -0.514 0.000 0.921 203 S HN 0.396 nan 8.310 nan 0.000 0.554 204 P HA -0.042 nan 4.420 nan 0.000 0.217 204 P C 1.313 178.503 177.300 -0.184 0.000 1.151 204 P CA 1.763 64.702 63.100 -0.267 0.000 0.849 204 P CB -0.474 31.091 31.700 -0.225 0.000 0.787 205 G N -1.422 107.269 108.800 -0.182 0.000 3.061 205 G HA2 -0.024 3.938 3.960 0.003 0.000 0.208 205 G HA3 -0.024 3.938 3.960 0.003 0.000 0.208 205 G C 0.528 175.361 174.900 -0.112 0.000 1.175 205 G CA -0.061 44.965 45.100 -0.123 0.000 0.812 205 G HN 0.020 nan 8.290 nan 0.000 0.523 206 M N -1.776 117.747 119.600 -0.127 0.000 2.682 206 M HA -0.159 4.323 4.480 0.003 0.000 0.196 206 M C 0.863 177.101 176.300 -0.104 0.000 0.542 206 M CA 1.325 56.563 55.300 -0.104 0.000 0.593 206 M CB -2.756 29.800 32.600 -0.073 0.000 2.183 206 M HN 0.524 nan 8.290 nan 0.000 0.663 207 K N 0.308 120.636 120.400 -0.120 0.000 2.177 207 K HA 0.852 5.174 4.320 0.003 0.000 0.238 207 K C 0.340 176.863 176.600 -0.127 0.000 1.015 207 K CA 0.003 56.216 56.287 -0.123 0.000 0.922 207 K CB 1.134 33.568 32.500 -0.110 0.000 1.127 207 K HN 0.510 nan 8.250 nan 0.000 0.469 208 V N -0.088 119.736 119.914 -0.150 0.000 2.313 208 V HA 0.459 4.581 4.120 0.003 0.000 0.278 208 V C 0.021 176.041 176.094 -0.124 0.000 1.017 208 V CA -0.819 61.393 62.300 -0.147 0.000 0.823 208 V CB 0.452 32.147 31.823 -0.213 0.000 1.010 208 V HN 0.741 nan 8.190 nan 0.000 0.443 209 T N 4.561 119.089 114.554 -0.043 0.000 2.884 209 T HA 0.671 5.023 4.350 0.003 0.000 0.298 209 T C 0.282 174.927 174.700 -0.092 0.000 0.998 209 T CA 0.470 62.548 62.100 -0.035 0.000 1.124 209 T CB 1.153 70.048 68.868 0.045 0.000 0.931 209 T HN 1.370 nan 8.240 nan 0.000 0.531 210 A N 2.161 124.941 122.820 -0.066 0.000 2.517 210 A HA 0.739 5.061 4.320 0.003 0.000 0.297 210 A C 0.136 177.763 177.584 0.072 0.000 1.050 210 A CA -0.754 51.269 52.037 -0.023 0.000 0.694 210 A CB 1.308 20.272 19.000 -0.060 0.000 1.277 210 A HN 0.980 nan 8.150 nan 0.000 0.400 211 G N 0.276 109.113 108.800 0.062 0.000 2.361 211 G HA2 0.518 4.480 3.960 0.003 0.000 0.260 211 G HA3 0.518 4.480 3.960 0.003 0.000 0.260 211 G C -0.671 174.302 174.900 0.122 0.000 1.261 211 G CA -0.026 45.123 45.100 0.082 0.000 0.897 211 G HN 1.127 nan 8.290 nan 0.000 0.499 212 L N 2.054 123.307 121.223 0.050 0.000 2.318 212 L HA 0.436 4.778 4.340 0.003 0.000 0.277 212 L C -0.024 176.795 176.870 -0.085 0.000 1.008 212 L CA -0.663 54.117 54.840 -0.100 0.000 0.846 212 L CB 1.212 43.188 42.059 -0.138 0.000 1.220 212 L HN 0.577 nan 8.230 nan 0.000 0.423 213 E N 3.608 123.744 120.200 -0.105 0.000 2.152 213 E HA 0.396 4.748 4.350 0.003 0.000 0.285 213 E C -0.131 176.416 176.600 -0.088 0.000 1.043 213 E CA -0.262 56.098 56.400 -0.066 0.000 0.839 213 E CB 0.808 30.482 29.700 -0.043 0.000 1.069 213 E HN 0.726 nan 8.360 nan 0.000 0.399 214 T N -0.727 113.792 114.554 -0.058 0.000 2.870 214 T HA 0.560 4.912 4.350 0.003 0.000 0.277 214 T C 1.406 176.099 174.700 -0.012 0.000 1.000 214 T CA -0.255 61.815 62.100 -0.050 0.000 0.982 214 T CB 1.249 70.087 68.868 -0.050 0.000 1.249 214 T HN 0.341 nan 8.240 nan 0.000 0.589 215 A N 0.994 123.814 122.820 0.000 0.000 1.883 215 A HA -0.007 4.315 4.320 0.003 0.000 0.226 215 A C 2.211 179.825 177.584 0.050 0.000 1.512 215 A CA 3.372 55.428 52.037 0.031 0.000 0.738 215 A CB -1.691 17.323 19.000 0.023 0.000 0.848 215 A HN 1.679 nan 8.150 nan 0.000 0.477 216 R N -0.180 120.335 120.500 0.025 0.000 2.734 216 R HA 0.505 4.847 4.340 0.003 0.000 0.395 216 R C -0.094 176.200 176.300 -0.010 0.000 1.096 216 R CA 0.723 56.837 56.100 0.024 0.000 1.071 216 R CB -0.588 29.722 30.300 0.016 0.000 1.348 216 R HN 1.030 nan 8.270 nan 0.000 0.600 217 E N -1.865 118.325 120.200 -0.018 0.000 2.238 217 E HA 0.738 5.090 4.350 0.003 0.000 0.252 217 E C -1.410 175.168 176.600 -0.036 0.000 1.317 217 E CA -0.128 56.245 56.400 -0.046 0.000 0.921 217 E CB 0.614 30.279 29.700 -0.058 0.000 1.626 217 E HN 0.837 nan 8.360 nan 0.000 0.488 218 A N 0.037 122.831 122.820 -0.043 0.000 2.608 218 A HA 0.821 5.143 4.320 0.003 0.000 0.292 218 A C -1.158 176.444 177.584 0.030 0.000 1.066 218 A CA -0.265 51.768 52.037 -0.005 0.000 0.676 218 A CB 1.558 20.569 19.000 0.019 0.000 1.277 218 A HN 0.889 nan 8.150 nan 0.000 0.413 219 R N 0.267 120.822 120.500 0.092 0.000 2.733 219 R HA 0.753 5.095 4.340 0.003 0.000 0.272 219 R C -1.857 174.537 176.300 0.156 0.000 1.029 219 R CA -0.963 55.249 56.100 0.186 0.000 0.888 219 R CB 0.786 31.152 30.300 0.110 0.000 1.251 219 R HN 0.474 nan 8.270 nan 0.000 0.464 220 L N 1.757 123.059 121.223 0.131 0.000 2.312 220 L HA 0.623 4.965 4.340 0.003 0.000 0.281 220 L C -0.008 176.870 176.870 0.012 0.000 1.070 220 L CA -0.802 54.037 54.840 -0.003 0.000 0.805 220 L CB 1.654 43.608 42.059 -0.176 0.000 1.174 220 L HN 0.571 nan 8.230 nan 0.000 0.434 221 V N -0.635 119.293 119.914 0.023 0.000 3.102 221 V HA 0.687 4.809 4.120 0.003 0.000 0.312 221 V C -0.445 175.653 176.094 0.006 0.000 1.135 221 V CA -0.501 61.819 62.300 0.034 0.000 1.022 221 V CB 2.141 34.017 31.823 0.089 0.000 1.056 221 V HN 0.630 nan 8.190 nan 0.000 0.436 222 T N 1.760 116.307 114.554 -0.012 0.000 2.864 222 T HA 0.603 4.955 4.350 0.003 0.000 0.299 222 T C -0.680 173.970 174.700 -0.083 0.000 1.011 222 T CA -0.234 61.837 62.100 -0.049 0.000 0.975 222 T CB 1.177 70.020 68.868 -0.042 0.000 0.962 222 T HN 0.735 nan 8.240 nan 0.000 0.448 223 V N 3.614 123.437 119.914 -0.153 0.000 2.394 223 V HA 0.349 4.471 4.120 0.003 0.000 0.282 223 V C 0.143 176.069 176.094 -0.280 0.000 1.031 223 V CA -0.897 61.252 62.300 -0.252 0.000 0.881 223 V CB 1.586 33.157 31.823 -0.419 0.000 0.982 223 V HN 0.754 nan 8.190 nan 0.000 0.451 224 D N 7.257 127.508 120.400 -0.250 0.000 2.316 224 D HA 0.285 4.927 4.640 0.003 0.000 0.245 224 D C -1.414 174.702 176.300 -0.306 0.000 1.171 224 D CA -2.073 51.801 54.000 -0.210 0.000 0.856 224 D CB 1.895 42.622 40.800 -0.121 0.000 1.090 224 D HN 0.258 nan 8.370 nan 0.000 0.476 225 P HA -0.023 nan 4.420 nan 0.000 0.245 225 P C 0.968 178.308 177.300 0.067 0.000 1.212 225 P CA 0.508 63.505 63.100 -0.172 0.000 0.774 225 P CB 0.206 31.881 31.700 -0.040 0.000 0.999 226 R N 0.983 121.487 120.500 0.007 0.000 2.189 226 R HA 0.030 4.372 4.340 0.003 0.000 0.203 226 R C 1.211 177.546 176.300 0.059 0.000 1.012 226 R CA 1.703 57.828 56.100 0.041 0.000 1.015 226 R CB -1.399 28.906 30.300 0.008 0.000 0.938 226 R HN 0.413 nan 8.270 nan 0.000 0.472 227 D N -4.478 115.947 120.400 0.040 0.000 2.538 227 D HA 0.206 4.848 4.640 0.003 0.000 0.241 227 D C 0.953 177.300 176.300 0.078 0.000 1.297 227 D CA 0.420 54.455 54.000 0.057 0.000 0.804 227 D CB 0.029 40.844 40.800 0.025 0.000 1.122 227 D HN 0.517 nan 8.370 nan 0.000 0.519 228 G N 0.757 109.598 108.800 0.068 0.000 2.155 228 G HA2 -0.292 3.670 3.960 0.003 0.000 0.257 228 G HA3 -0.292 3.670 3.960 0.003 0.000 0.257 228 G C 0.447 175.337 174.900 -0.017 0.000 0.983 228 G CA 0.590 45.737 45.100 0.079 0.000 0.676 228 G HN 0.905 nan 8.290 nan 0.000 0.528 229 S N -1.425 114.243 115.700 -0.054 0.000 2.617 229 S HA 0.744 5.216 4.470 0.003 0.000 0.269 229 S C 0.022 174.587 174.600 -0.059 0.000 1.292 229 S CA -0.083 58.097 58.200 -0.032 0.000 1.010 229 S CB 2.708 65.893 63.200 -0.025 0.000 0.944 229 S HN 1.676 nan 8.310 nan 0.000 0.536 230 V N 1.817 121.720 119.914 -0.019 0.000 2.733 230 V HA 0.719 4.841 4.120 0.003 0.000 0.306 230 V C -1.224 174.871 176.094 0.002 0.000 1.084 230 V CA -0.432 61.863 62.300 -0.008 0.000 0.905 230 V CB 1.594 33.443 31.823 0.043 0.000 1.010 230 V HN 1.214 nan 8.190 nan 0.000 0.424 231 E N 3.695 123.893 120.200 -0.003 0.000 2.383 231 E HA 0.492 4.844 4.350 0.003 0.000 0.275 231 E C -1.704 174.898 176.600 0.003 0.000 0.918 231 E CA -0.893 55.507 56.400 -0.000 0.000 0.764 231 E CB 2.194 31.888 29.700 -0.009 0.000 1.252 231 E HN 0.537 nan 8.360 nan 0.000 0.449 232 D N 1.515 121.919 120.400 0.006 0.000 2.424 232 D HA 0.184 4.826 4.640 0.003 0.000 0.244 232 D C -0.635 175.665 176.300 0.001 0.000 1.134 232 D CA -0.122 53.883 54.000 0.009 0.000 0.881 232 D CB 0.759 41.566 40.800 0.013 0.000 1.191 232 D HN 0.271 nan 8.370 nan 0.000 0.445 233 L N 1.945 123.165 121.223 -0.005 0.000 2.275 233 L HA 0.261 4.603 4.340 0.003 0.000 0.288 233 L C -0.247 176.610 176.870 -0.020 0.000 1.046 233 L CA -0.177 54.650 54.840 -0.022 0.000 0.805 233 L CB 1.407 43.438 42.059 -0.046 0.000 1.193 233 L HN 0.104 nan 8.230 nan 0.000 0.426 234 E N 4.852 125.043 120.200 -0.015 0.000 2.171 234 E HA 0.572 4.924 4.350 0.003 0.000 0.271 234 E C -0.515 176.074 176.600 -0.018 0.000 0.916 234 E CA -0.523 55.873 56.400 -0.006 0.000 0.774 234 E CB 1.682 31.385 29.700 0.005 0.000 1.128 234 E HN 0.615 nan 8.360 nan 0.000 0.403 235 L N 3.886 125.097 121.223 -0.020 0.000 2.352 235 L HA 0.448 4.790 4.340 0.003 0.000 0.269 235 L C -1.212 175.657 176.870 -0.001 0.000 1.034 235 L CA -2.001 52.821 54.840 -0.029 0.000 0.806 235 L CB 0.892 42.911 42.059 -0.067 0.000 1.244 235 L HN 0.459 nan 8.230 nan 0.000 0.447 236 P HA -0.138 nan 4.420 nan 0.000 0.215 236 P C 0.469 177.783 177.300 0.024 0.000 1.163 236 P CA 1.022 64.129 63.100 0.013 0.000 0.894 236 P CB 0.165 31.873 31.700 0.014 0.000 0.791 237 S N -1.870 113.851 115.700 0.035 0.000 2.672 237 S HA 0.513 4.985 4.470 0.003 0.000 0.276 237 S C 0.848 175.484 174.600 0.059 0.000 1.207 237 S CA -0.068 58.163 58.200 0.052 0.000 1.002 237 S CB 0.637 63.880 63.200 0.073 0.000 0.998 237 S HN 0.036 nan 8.310 nan 0.000 0.542 238 K N 1.206 121.644 120.400 0.064 0.000 2.440 238 K HA 0.276 4.598 4.320 0.003 0.000 0.206 238 K C 0.625 177.268 176.600 0.072 0.000 1.025 238 K CA 0.249 56.572 56.287 0.061 0.000 1.135 238 K CB -0.555 31.971 32.500 0.044 0.000 0.856 238 K HN 0.693 nan 8.250 nan 0.000 0.502 239 D N -0.412 120.053 120.400 0.107 0.000 2.149 239 D HA 0.005 4.647 4.640 0.003 0.000 0.201 239 D C 1.405 177.726 176.300 0.035 0.000 0.972 239 D CA 0.666 54.759 54.000 0.155 0.000 0.835 239 D CB -0.132 40.838 40.800 0.284 0.000 0.966 239 D HN 0.488 nan 8.370 nan 0.000 0.476 240 F N 0.672 120.426 119.950 -0.326 0.000 2.113 240 F HA -0.121 4.408 4.527 0.003 0.000 0.297 240 F C 2.427 178.055 175.800 -0.286 0.000 1.103 240 F CA 1.171 58.733 58.000 -0.731 0.000 1.248 240 F CB -0.327 38.251 39.000 -0.703 0.000 0.999 240 F HN -0.164 nan 8.300 nan 0.000 0.475 241 S N -0.179 115.495 115.700 -0.043 0.000 2.368 241 S HA -0.181 4.291 4.470 0.003 0.000 0.225 241 S C 2.265 176.786 174.600 -0.132 0.000 1.030 241 S CA 1.600 59.751 58.200 -0.082 0.000 0.999 241 S CB -0.932 62.293 63.200 0.042 0.000 0.844 241 S HN 0.615 nan 8.310 nan 0.000 0.459 242 S N -0.833 114.832 115.700 -0.058 0.000 2.561 242 S HA 0.079 4.551 4.470 0.003 0.000 0.225 242 S C 1.454 176.055 174.600 0.001 0.000 0.977 242 S CA 0.405 58.593 58.200 -0.021 0.000 0.926 242 S CB -0.520 62.696 63.200 0.026 0.000 0.769 242 S HN 0.658 nan 8.310 nan 0.000 0.533 243 Y N 1.658 121.846 120.300 -0.186 0.000 2.457 243 Y HA 0.167 4.719 4.550 0.003 0.000 0.292 243 Y C 0.798 176.594 175.900 -0.172 0.000 1.125 243 Y CA 0.438 58.454 58.100 -0.140 0.000 1.254 243 Y CB -0.063 38.302 38.460 -0.158 0.000 1.012 243 Y HN 0.321 nan 8.280 nan 0.000 0.555 244 R N 0.399 120.716 120.500 -0.304 0.000 3.152 244 R HA -0.139 4.203 4.340 0.003 0.000 0.252 244 R C -2.753 173.301 176.300 -0.410 0.000 0.930 244 R CA 0.359 56.265 56.100 -0.324 0.000 0.642 244 R CB -1.675 28.473 30.300 -0.254 0.000 1.205 244 R HN 0.286 nan 8.270 nan 0.000 0.452 245 P HA 0.012 nan 4.420 nan 0.000 0.276 245 P C 0.321 177.529 177.300 -0.153 0.000 1.243 245 P CA 0.067 63.035 63.100 -0.220 0.000 0.768 245 P CB 1.629 33.224 31.700 -0.174 0.000 0.856 246 T N 0.987 115.466 114.554 -0.125 0.000 3.065 246 T HA 0.368 4.720 4.350 0.003 0.000 0.252 246 T C 0.411 175.083 174.700 -0.047 0.000 1.099 246 T CA 0.461 62.506 62.100 -0.091 0.000 1.063 246 T CB -0.128 68.669 68.868 -0.118 0.000 0.948 246 T HN 0.649 nan 8.240 nan 0.000 0.506 247 A N 0.227 123.038 122.820 -0.015 0.000 2.604 247 A HA 0.690 5.012 4.320 0.003 0.000 0.295 247 A C -1.852 175.786 177.584 0.091 0.000 1.067 247 A CA -0.727 51.325 52.037 0.024 0.000 0.683 247 A CB 1.049 20.047 19.000 -0.004 0.000 1.281 247 A HN 0.286 nan 8.150 nan 0.000 0.407 248 I N 1.526 122.158 120.570 0.104 0.000 2.410 248 I HA 0.340 4.512 4.170 0.003 0.000 0.286 248 I C 1.130 177.329 176.117 0.137 0.000 1.009 248 I CA -0.214 61.178 61.300 0.153 0.000 1.111 248 I CB 2.173 40.264 38.000 0.151 0.000 1.262 248 I HN 0.764 nan 8.210 nan 0.000 0.443 249 T N 3.895 118.557 114.554 0.178 0.000 2.732 249 T HA -0.077 4.275 4.350 0.003 0.000 0.261 249 T C -0.233 174.626 174.700 0.265 0.000 1.040 249 T CA 1.208 63.421 62.100 0.188 0.000 1.145 249 T CB 0.019 69.005 68.868 0.196 0.000 0.866 249 T HN 0.639 nan 8.240 nan 0.000 0.427 250 W N 0.950 122.281 121.300 0.052 0.000 3.419 250 W HA 0.468 5.131 4.660 0.004 0.000 0.298 250 W C -2.546 173.984 176.519 0.019 0.000 1.260 250 W CA -1.348 56.015 57.345 0.030 0.000 1.199 250 W CB 0.932 30.410 29.460 0.029 0.000 1.349 250 W HN 0.118 nan 8.180 nan 0.000 0.557 251 L N 3.073 123.686 121.223 -1.018 0.000 2.409 251 L HA 1.145 5.487 4.340 0.003 0.000 0.255 251 L C -0.368 175.303 176.870 -1.997 0.000 1.027 251 L CA -0.864 53.256 54.840 -1.201 0.000 0.834 251 L CB 1.763 43.474 42.059 -0.581 0.000 1.426 251 L HN 0.834 nan 8.230 nan 0.000 0.411 252 G N -0.542 107.460 108.800 -1.329 0.000 2.498 252 G HA2 0.421 4.383 3.960 0.003 0.000 0.301 252 G HA3 0.421 4.383 3.960 0.003 0.000 0.301 252 G C -2.197 172.547 174.900 -0.260 0.000 1.577 252 G CA -0.683 44.007 45.100 -0.684 0.000 0.868 252 G HN 0.539 nan 8.290 nan 0.000 0.599 253 Y N 1.455 121.725 120.300 -0.049 0.000 2.359 253 Y HA 0.419 4.971 4.550 0.003 0.000 0.334 253 Y C 1.458 177.382 175.900 0.041 0.000 1.058 253 Y CA -0.285 57.809 58.100 -0.010 0.000 1.244 253 Y CB 0.874 39.307 38.460 -0.044 0.000 1.187 253 Y HN 0.350 nan 8.280 nan 0.000 0.510 254 L N 6.136 127.447 121.223 0.146 0.000 2.464 254 L HA 0.101 4.443 4.340 0.003 0.000 0.264 254 L C -1.110 175.705 176.870 -0.092 0.000 1.199 254 L CA -1.681 53.180 54.840 0.036 0.000 0.818 254 L CB 0.294 42.383 42.059 0.050 0.000 1.102 254 L HN 0.486 nan 8.230 nan 0.000 0.473 255 P HA -0.162 nan 4.420 nan 0.000 0.221 255 P C 0.491 177.716 177.300 -0.124 0.000 1.145 255 P CA 1.147 64.069 63.100 -0.296 0.000 0.795 255 P CB -0.063 31.373 31.700 -0.440 0.000 0.775 256 D N -1.618 118.738 120.400 -0.073 0.000 2.342 256 D HA 0.084 4.726 4.640 0.003 0.000 0.221 256 D C 1.332 177.631 176.300 -0.000 0.000 1.101 256 D CA 0.421 54.403 54.000 -0.031 0.000 0.837 256 D CB -0.363 40.426 40.800 -0.019 0.000 0.938 256 D HN 0.221 nan 8.370 nan 0.000 0.508 257 G N 0.929 109.743 108.800 0.023 0.000 2.234 257 G HA2 -0.285 3.677 3.960 0.003 0.000 0.235 257 G HA3 -0.285 3.677 3.960 0.003 0.000 0.235 257 G C 0.402 175.400 174.900 0.164 0.000 0.997 257 G CA -0.180 44.961 45.100 0.069 0.000 0.623 257 G HN 0.425 nan 8.290 nan 0.000 0.514 258 R N -0.051 120.510 120.500 0.103 0.000 2.543 258 R HA 0.470 4.812 4.340 0.003 0.000 0.277 258 R C -0.105 176.214 176.300 0.031 0.000 1.074 258 R CA -0.493 55.651 56.100 0.075 0.000 1.076 258 R CB 0.906 31.229 30.300 0.038 0.000 0.993 258 R HN 0.230 nan 8.270 nan 0.000 0.459 259 L N 2.820 123.989 121.223 -0.089 0.000 2.268 259 L HA 0.299 4.641 4.340 0.003 0.000 0.289 259 L C -0.440 176.316 176.870 -0.191 0.000 1.064 259 L CA 0.089 54.706 54.840 -0.371 0.000 0.824 259 L CB 0.787 42.523 42.059 -0.539 0.000 1.202 259 L HN 0.714 nan 8.230 nan 0.000 0.433 260 A N 5.228 127.987 122.820 -0.103 0.000 2.366 260 A HA 0.687 5.009 4.320 0.003 0.000 0.272 260 A C -0.745 176.882 177.584 0.073 0.000 1.135 260 A CA -0.381 51.705 52.037 0.081 0.000 0.804 260 A CB 0.542 19.708 19.000 0.277 0.000 1.064 260 A HN 0.559 nan 8.150 nan 0.000 0.499 261 V N 3.211 123.210 119.914 0.142 0.000 2.686 261 V HA 0.396 4.518 4.120 0.003 0.000 0.306 261 V C -0.576 175.721 176.094 0.340 0.000 1.065 261 V CA -0.574 61.824 62.300 0.163 0.000 0.894 261 V CB 1.883 33.693 31.823 -0.022 0.000 1.004 261 V HN 0.645 nan 8.190 nan 0.000 0.424 262 V N 3.702 123.843 119.914 0.378 0.000 2.384 262 V HA 0.881 5.003 4.120 0.003 0.000 0.287 262 V C 0.319 176.627 176.094 0.358 0.000 1.020 262 V CA -0.204 62.304 62.300 0.347 0.000 0.850 262 V CB 1.400 33.407 31.823 0.306 0.000 0.987 262 V HN 1.061 nan 8.190 nan 0.000 0.436 263 A N 6.078 129.146 122.820 0.414 0.000 2.423 263 A HA 1.034 5.356 4.320 0.003 0.000 0.304 263 A C -0.414 177.398 177.584 0.380 0.000 1.104 263 A CA -0.905 51.367 52.037 0.393 0.000 0.757 263 A CB 1.851 21.134 19.000 0.472 0.000 1.313 263 A HN 0.932 nan 8.150 nan 0.000 0.423 264 R N 0.148 120.833 120.500 0.309 0.000 2.808 264 R HA 0.869 5.211 4.340 0.003 0.000 0.272 264 R C -1.062 175.311 176.300 0.123 0.000 0.995 264 R CA -1.001 55.258 56.100 0.264 0.000 0.917 264 R CB 1.760 32.135 30.300 0.125 0.000 1.217 264 R HN 0.910 nan 8.270 nan 0.000 0.471 265 R N 0.024 120.559 120.500 0.059 0.000 2.604 265 R HA 0.311 4.653 4.340 0.003 0.000 0.270 265 R C -1.099 175.160 176.300 -0.068 0.000 1.052 265 R CA -0.998 55.031 56.100 -0.119 0.000 0.902 265 R CB 1.512 31.684 30.300 -0.213 0.000 1.233 265 R HN 0.873 nan 8.270 nan 0.000 0.455 266 E N 0.793 120.888 120.200 -0.174 0.000 2.476 266 E HA -0.257 4.095 4.350 0.003 0.000 0.251 266 E C 0.456 177.167 176.600 0.185 0.000 1.130 266 E CA 0.895 57.345 56.400 0.084 0.000 0.736 266 E CB -1.389 28.440 29.700 0.215 0.000 1.298 266 E HN 1.203 nan 8.360 nan 0.000 0.400 267 G N 0.038 108.867 108.800 0.049 0.000 2.143 267 G HA2 -0.362 3.600 3.960 0.003 0.000 0.248 267 G HA3 -0.362 3.600 3.960 0.003 0.000 0.248 267 G C 0.082 175.022 174.900 0.067 0.000 0.991 267 G CA 0.631 45.787 45.100 0.094 0.000 0.689 267 G HN 0.279 nan 8.290 nan 0.000 0.522 268 R N -0.041 120.517 120.500 0.097 0.000 2.574 268 R HA 0.615 4.957 4.340 0.003 0.000 0.288 268 R C 0.320 176.722 176.300 0.170 0.000 1.004 268 R CA 0.098 56.267 56.100 0.116 0.000 0.895 268 R CB 1.833 32.230 30.300 0.162 0.000 1.191 268 R HN 0.430 nan 8.270 nan 0.000 0.444 269 S N 1.494 117.284 115.700 0.150 0.000 2.758 269 S HA 0.909 5.381 4.470 0.003 0.000 0.292 269 S C -0.599 174.129 174.600 0.213 0.000 1.131 269 S CA -0.541 57.791 58.200 0.221 0.000 0.997 269 S CB 2.054 65.385 63.200 0.218 0.000 1.111 269 S HN 0.686 nan 8.310 nan 0.000 0.552 270 A N 0.369 123.240 122.820 0.084 0.000 2.566 270 A HA 0.619 4.941 4.320 0.003 0.000 0.297 270 A C -1.072 176.235 177.584 -0.461 0.000 1.059 270 A CA -0.708 51.161 52.037 -0.279 0.000 0.691 270 A CB 1.087 19.716 19.000 -0.617 0.000 1.282 270 A HN 0.994 nan 8.150 nan 0.000 0.401 271 V N 1.127 120.654 119.914 -0.644 0.000 2.644 271 V HA 0.707 4.829 4.120 0.003 0.000 0.295 271 V C -0.808 174.811 176.094 -0.791 0.000 1.053 271 V CA -0.111 61.902 62.300 -0.478 0.000 0.987 271 V CB 0.793 32.409 31.823 -0.345 0.000 1.006 271 V HN 0.671 nan 8.190 nan 0.000 0.472 272 F N 3.702 123.647 119.950 -0.009 0.000 2.585 272 F HA 0.560 5.089 4.527 0.003 0.000 0.319 272 F C -0.473 175.317 175.800 -0.018 0.000 1.165 272 F CA -0.666 57.334 58.000 0.000 0.000 0.949 272 F CB 1.659 40.697 39.000 0.063 0.000 1.218 272 F HN 0.151 nan 8.300 nan 0.000 0.453 273 I N 3.528 124.175 120.570 0.128 0.000 2.328 273 I HA 0.239 4.411 4.170 0.003 0.000 0.287 273 I C -0.105 176.044 176.117 0.053 0.000 1.012 273 I CA -0.553 60.785 61.300 0.064 0.000 1.195 273 I CB 0.957 38.978 38.000 0.035 0.000 1.350 273 I HN 0.630 nan 8.210 nan 0.000 0.464 274 D N 5.603 126.009 120.400 0.010 0.000 2.723 274 D HA -0.184 4.458 4.640 0.003 0.000 0.236 274 D C 1.326 177.632 176.300 0.010 0.000 1.138 274 D CA 1.612 55.608 54.000 -0.007 0.000 0.676 274 D CB -0.793 40.014 40.800 0.011 0.000 1.069 274 D HN 1.115 nan 8.370 nan 0.000 0.430 275 G N -0.358 108.452 108.800 0.017 0.000 2.225 275 G HA2 -0.361 3.601 3.960 0.003 0.000 0.254 275 G HA3 -0.361 3.601 3.960 0.003 0.000 0.254 275 G C 0.171 175.189 174.900 0.197 0.000 0.988 275 G CA 0.504 45.634 45.100 0.051 0.000 0.625 275 G HN 0.579 nan 8.290 nan 0.000 0.527 276 E N 0.408 120.731 120.200 0.205 0.000 2.197 276 E HA 0.561 4.913 4.350 0.003 0.000 0.281 276 E C 0.586 177.335 176.600 0.249 0.000 0.995 276 E CA -1.057 55.468 56.400 0.208 0.000 0.808 276 E CB 0.603 30.364 29.700 0.102 0.000 1.093 276 E HN 0.237 nan 8.360 nan 0.000 0.394 277 R N 2.592 123.233 120.500 0.234 0.000 2.538 277 R HA 0.066 4.408 4.340 0.003 0.000 0.282 277 R C -1.289 174.937 176.300 -0.124 0.000 1.009 277 R CA 0.223 56.297 56.100 -0.044 0.000 1.063 277 R CB 0.325 30.620 30.300 -0.008 0.000 0.945 277 R HN 0.216 nan 8.270 nan 0.000 0.414 278 V N 4.983 124.741 119.914 -0.260 0.000 2.448 278 V HA 0.259 4.381 4.120 0.003 0.000 0.295 278 V C -0.202 175.746 176.094 -0.244 0.000 1.025 278 V CA -0.882 61.303 62.300 -0.193 0.000 0.859 278 V CB 1.736 33.462 31.823 -0.161 0.000 0.988 278 V HN 0.740 nan 8.190 nan 0.000 0.431 279 E N 3.399 123.497 120.200 -0.169 0.000 2.299 279 E HA 0.537 4.889 4.350 0.003 0.000 0.272 279 E C -0.022 176.468 176.600 -0.183 0.000 1.043 279 E CA 0.115 56.419 56.400 -0.159 0.000 0.895 279 E CB 1.758 31.400 29.700 -0.097 0.000 1.011 279 E HN 0.808 nan 8.360 nan 0.000 0.432 280 A N 4.836 127.524 122.820 -0.221 0.000 2.430 280 A HA 0.684 5.006 4.320 0.003 0.000 0.300 280 A C -2.446 175.072 177.584 -0.111 0.000 1.124 280 A CA -1.628 50.258 52.037 -0.252 0.000 0.766 280 A CB 0.800 19.441 19.000 -0.599 0.000 1.328 280 A HN 0.319 nan 8.150 nan 0.000 0.424 281 P HA 0.099 nan 4.420 nan 0.000 0.266 281 P C -0.528 176.811 177.300 0.064 0.000 1.195 281 P CA -0.029 62.965 63.100 -0.177 0.000 0.768 281 P CB 0.333 31.623 31.700 -0.683 0.000 0.838 282 Q N 1.243 121.099 119.800 0.093 0.000 2.274 282 Q HA 0.369 4.711 4.340 0.003 0.000 0.280 282 Q C 0.565 176.700 176.000 0.224 0.000 1.047 282 Q CA 0.937 56.836 55.803 0.159 0.000 0.907 282 Q CB -0.135 28.675 28.738 0.121 0.000 1.171 282 Q HN 0.778 nan 8.270 nan 0.000 0.381 283 G N 3.598 112.467 108.800 0.115 0.000 2.384 283 G HA2 -0.075 3.887 3.960 0.003 0.000 0.150 283 G HA3 -0.075 3.887 3.960 0.003 0.000 0.150 283 G C -1.362 173.405 174.900 -0.223 0.000 1.269 283 G CA -0.766 44.322 45.100 -0.021 0.000 1.094 283 G HN 0.599 nan 8.290 nan 0.000 0.467 284 N N 0.202 118.667 118.700 -0.391 0.000 2.265 284 N HA 0.668 5.410 4.740 0.003 0.000 0.300 284 N C -1.532 173.620 175.510 -0.595 0.000 1.148 284 N CA -0.349 52.446 53.050 -0.425 0.000 0.772 284 N CB 1.838 40.211 38.487 -0.190 0.000 1.434 284 N HN 0.595 nan 8.380 nan 0.000 0.481 285 H N -1.119 117.969 119.070 0.029 0.000 2.747 285 H HA 0.557 5.115 4.556 0.003 0.000 0.371 285 H C 0.618 175.925 175.328 -0.036 0.000 1.161 285 H CA -0.808 55.243 56.048 0.006 0.000 1.167 285 H CB 1.665 31.431 29.762 0.005 0.000 1.732 285 H HN 0.600 nan 8.280 nan 0.000 0.544 286 G N 0.196 109.007 108.800 0.019 0.000 2.773 286 G HA2 0.240 4.202 3.960 0.003 0.000 0.186 286 G HA3 0.240 4.202 3.960 0.003 0.000 0.186 286 G C -0.341 174.373 174.900 -0.310 0.000 1.411 286 G CA -1.050 43.980 45.100 -0.116 0.000 1.054 286 G HN 0.757 nan 8.290 nan 0.000 0.579 287 R N -1.388 118.743 120.500 -0.614 0.000 2.738 287 R HA 0.418 4.760 4.340 0.003 0.000 0.268 287 R C -1.072 174.757 176.300 -0.785 0.000 1.062 287 R CA -0.370 54.951 56.100 -1.300 0.000 1.158 287 R CB 0.669 30.150 30.300 -1.366 0.000 1.046 287 R HN 0.140 nan 8.270 nan 0.000 0.493 288 V N 2.512 121.903 119.914 -0.872 0.000 2.555 288 V HA 0.499 4.621 4.120 0.003 0.000 0.302 288 V C 0.045 176.087 176.094 -0.087 0.000 1.038 288 V CA -0.732 61.398 62.300 -0.284 0.000 0.887 288 V CB 1.385 33.167 31.823 -0.068 0.000 0.991 288 V HN 0.759 nan 8.190 nan 0.000 0.434 289 V N 2.717 122.639 119.914 0.013 0.000 3.040 289 V HA 0.780 4.902 4.120 0.003 0.000 0.312 289 V C -1.174 175.051 176.094 0.220 0.000 1.115 289 V CA -1.103 61.297 62.300 0.168 0.000 0.998 289 V CB 2.144 34.019 31.823 0.087 0.000 1.042 289 V HN 0.666 nan 8.190 nan 0.000 0.433 290 L N 3.347 124.770 121.223 0.333 0.000 2.262 290 L HA 0.705 5.047 4.340 0.003 0.000 0.288 290 L C -1.276 175.810 176.870 0.359 0.000 1.035 290 L CA -0.118 54.883 54.840 0.268 0.000 0.820 290 L CB 1.043 43.202 42.059 0.167 0.000 1.204 290 L HN 0.945 nan 8.230 nan 0.000 0.424 291 W N 6.999 128.357 121.300 0.095 0.000 2.499 291 W HA 0.495 5.158 4.660 0.004 0.000 0.320 291 W C 0.159 176.714 176.519 0.059 0.000 1.010 291 W CA -0.838 56.558 57.345 0.085 0.000 1.267 291 W CB 0.624 30.127 29.460 0.071 0.000 1.316 291 W HN 0.651 nan 8.180 nan 0.000 0.431 292 R N 4.494 124.792 120.500 -0.337 0.000 3.422 292 R HA -0.205 4.137 4.340 0.003 0.000 0.267 292 R C 1.122 177.298 176.300 -0.206 0.000 1.074 292 R CA 1.258 57.113 56.100 -0.408 0.000 0.718 292 R CB -1.741 28.078 30.300 -0.802 0.000 1.157 292 R HN 1.409 nan 8.270 nan 0.000 0.440 293 G N -1.691 107.061 108.800 -0.080 0.000 2.199 293 G HA2 -0.375 3.587 3.960 0.003 0.000 0.254 293 G HA3 -0.375 3.587 3.960 0.003 0.000 0.254 293 G C 0.037 174.935 174.900 -0.003 0.000 0.982 293 G CA 0.675 45.753 45.100 -0.037 0.000 0.632 293 G HN 0.333 nan 8.290 nan 0.000 0.529 294 K N -0.330 120.082 120.400 0.020 0.000 2.208 294 K HA 0.788 5.110 4.320 0.003 0.000 0.247 294 K C 0.462 177.132 176.600 0.116 0.000 0.953 294 K CA -0.752 55.571 56.287 0.059 0.000 0.837 294 K CB 1.934 34.473 32.500 0.066 0.000 1.131 294 K HN 0.388 nan 8.250 nan 0.000 0.431 295 L N 1.128 122.400 121.223 0.081 0.000 2.371 295 L HA 0.551 4.893 4.340 0.003 0.000 0.272 295 L C -0.439 176.477 176.870 0.076 0.000 1.124 295 L CA -0.601 54.282 54.840 0.072 0.000 0.816 295 L CB 1.074 43.146 42.059 0.021 0.000 1.129 295 L HN 0.289 nan 8.230 nan 0.000 0.448 296 V N 1.746 121.694 119.914 0.056 0.000 2.711 296 V HA 0.510 4.632 4.120 0.003 0.000 0.304 296 V C -0.329 175.731 176.094 -0.057 0.000 1.097 296 V CA -0.433 61.872 62.300 0.009 0.000 0.906 296 V CB 2.137 33.976 31.823 0.027 0.000 1.015 296 V HN 0.860 nan 8.190 nan 0.000 0.427 297 T N 2.038 116.544 114.554 -0.080 0.000 2.812 297 T HA 0.629 4.981 4.350 0.003 0.000 0.294 297 T C -0.332 174.333 174.700 -0.059 0.000 1.159 297 T CA 0.131 62.173 62.100 -0.097 0.000 1.008 297 T CB 2.033 70.847 68.868 -0.091 0.000 1.289 297 T HN 1.037 nan 8.240 nan 0.000 0.514 298 S N 1.559 117.232 115.700 -0.046 0.000 2.610 298 S HA 0.518 4.990 4.470 0.003 0.000 0.273 298 S C -0.570 174.105 174.600 0.125 0.000 1.274 298 S CA -0.514 57.685 58.200 -0.000 0.000 1.023 298 S CB 0.696 63.870 63.200 -0.042 0.000 0.962 298 S HN 0.875 nan 8.310 nan 0.000 0.523 299 H N 0.252 119.325 119.070 0.004 0.000 2.806 299 H HA 0.593 5.151 4.556 0.003 0.000 0.367 299 H C -1.394 173.903 175.328 -0.051 0.000 1.136 299 H CA -0.365 55.689 56.048 0.010 0.000 1.178 299 H CB 2.172 31.981 29.762 0.079 0.000 1.718 299 H HN 0.809 nan 8.280 nan 0.000 0.540 300 T N 1.971 116.064 114.554 -0.769 0.000 2.816 300 T HA 0.543 4.895 4.350 0.003 0.000 0.299 300 T C -1.423 172.937 174.700 -0.566 0.000 1.230 300 T CA -0.005 61.720 62.100 -0.626 0.000 1.007 300 T CB 1.353 70.082 68.868 -0.232 0.000 1.289 300 T HN 0.889 nan 8.240 nan 0.000 0.508 301 S N 1.191 116.740 115.700 -0.252 0.000 2.661 301 S HA 0.455 4.927 4.470 0.003 0.000 0.268 301 S C 0.582 175.238 174.600 0.093 0.000 1.162 301 S CA -0.850 57.305 58.200 -0.075 0.000 0.817 301 S CB 0.402 63.595 63.200 -0.012 0.000 1.141 301 S HN 0.603 nan 8.310 nan 0.000 0.477 302 L N 0.982 122.253 121.223 0.079 0.000 2.275 302 L HA 0.056 4.397 4.340 0.003 0.000 0.215 302 L C 1.821 178.839 176.870 0.247 0.000 1.119 302 L CA 1.150 56.047 54.840 0.095 0.000 0.790 302 L CB -0.329 41.754 42.059 0.040 0.000 0.919 302 L HN 0.745 nan 8.230 nan 0.000 0.443 303 S N -1.907 113.944 115.700 0.252 0.000 2.554 303 S HA 0.134 4.606 4.470 0.003 0.000 0.226 303 S C 0.253 174.985 174.600 0.221 0.000 0.980 303 S CA -0.034 58.335 58.200 0.282 0.000 0.939 303 S CB 0.472 63.773 63.200 0.169 0.000 0.832 303 S HN 0.214 nan 8.310 nan 0.000 0.486 304 T N 3.916 118.579 114.554 0.181 0.000 3.078 304 T HA 0.318 4.669 4.350 0.003 0.000 0.328 304 T C -3.039 171.506 174.700 -0.258 0.000 0.987 304 T CA -1.274 60.777 62.100 -0.081 0.000 1.049 304 T CB 1.810 70.653 68.868 -0.041 0.000 1.011 304 T HN -0.152 nan 8.240 nan 0.000 0.463 305 P HA 0.155 nan 4.420 nan 0.000 0.265 305 P C -2.513 174.554 177.300 -0.388 0.000 1.187 305 P CA -1.028 61.529 63.100 -0.904 0.000 0.766 305 P CB -0.376 30.636 31.700 -1.146 0.000 0.820 306 P HA -0.015 nan 4.420 nan 0.000 0.263 306 P C -0.216 177.054 177.300 -0.051 0.000 1.175 306 P CA 0.819 63.844 63.100 -0.126 0.000 0.761 306 P CB 0.281 31.942 31.700 -0.066 0.000 0.794 307 R N 0.738 121.231 120.500 -0.011 0.000 2.752 307 R HA 0.780 5.122 4.340 0.003 0.000 0.271 307 R C -1.455 174.828 176.300 -0.028 0.000 1.026 307 R CA -1.041 55.074 56.100 0.026 0.000 0.901 307 R CB 0.804 31.104 30.300 0.001 0.000 1.243 307 R HN 0.063 nan 8.270 nan 0.000 0.463 308 I N 1.494 121.977 120.570 -0.145 0.000 2.354 308 I HA 0.546 4.718 4.170 0.003 0.000 0.292 308 I C 0.295 176.307 176.117 -0.175 0.000 0.989 308 I CA -0.757 60.424 61.300 -0.199 0.000 1.188 308 I CB 0.746 38.522 38.000 -0.373 0.000 1.342 308 I HN 0.597 nan 8.210 nan 0.000 0.457 309 V N 1.909 121.761 119.914 -0.104 0.000 2.962 309 V HA 0.787 4.909 4.120 0.003 0.000 0.313 309 V C -0.081 175.977 176.094 -0.061 0.000 1.099 309 V CA -0.575 61.678 62.300 -0.079 0.000 0.971 309 V CB 1.874 33.667 31.823 -0.049 0.000 1.028 309 V HN 0.834 nan 8.190 nan 0.000 0.430 310 S N 2.210 117.891 115.700 -0.032 0.000 2.617 310 S HA 0.783 5.255 4.470 0.003 0.000 0.269 310 S C -0.552 174.030 174.600 -0.030 0.000 1.292 310 S CA -0.527 57.676 58.200 0.005 0.000 1.010 310 S CB 0.360 63.590 63.200 0.049 0.000 0.944 310 S HN 0.718 nan 8.310 nan 0.000 0.536 311 L N 3.842 125.049 121.223 -0.026 0.000 2.370 311 L HA 0.495 4.837 4.340 0.003 0.000 0.266 311 L C -1.661 175.188 176.870 -0.035 0.000 1.002 311 L CA -1.846 52.959 54.840 -0.058 0.000 0.818 311 L CB 2.216 44.220 42.059 -0.093 0.000 1.325 311 L HN 0.548 nan 8.230 nan 0.000 0.418 312 P HA 0.022 nan 4.420 nan 0.000 0.261 312 P C 1.103 178.365 177.300 -0.064 0.000 1.268 312 P CA 0.202 63.261 63.100 -0.069 0.000 0.833 312 P CB 0.462 32.125 31.700 -0.062 0.000 1.231 313 S N -0.073 115.600 115.700 -0.045 0.000 2.383 313 S HA 0.071 4.543 4.470 0.003 0.000 0.227 313 S C 1.827 176.395 174.600 -0.054 0.000 1.026 313 S CA 1.207 59.383 58.200 -0.039 0.000 0.981 313 S CB -1.627 61.559 63.200 -0.022 0.000 0.818 313 S HN 0.297 nan 8.310 nan 0.000 0.472 314 G N 0.109 108.870 108.800 -0.066 0.000 2.132 314 G HA2 -0.051 3.911 3.960 0.003 0.000 0.234 314 G HA3 -0.051 3.911 3.960 0.003 0.000 0.234 314 G C -0.015 174.845 174.900 -0.068 0.000 0.989 314 G CA 0.483 45.529 45.100 -0.090 0.000 0.676 314 G HN 1.169 nan 8.290 nan 0.000 0.522 315 E N 1.166 121.342 120.200 -0.040 0.000 2.360 315 E HA 0.612 4.964 4.350 0.003 0.000 0.269 315 E C -1.921 174.657 176.600 -0.036 0.000 1.022 315 E CA -0.949 55.435 56.400 -0.027 0.000 0.887 315 E CB 0.246 29.943 29.700 -0.005 0.000 0.990 315 E HN 0.374 nan 8.360 nan 0.000 0.426 316 P HA 0.303 nan 4.420 nan 0.000 0.292 316 P C 0.210 177.445 177.300 -0.109 0.000 1.287 316 P CA -0.335 62.717 63.100 -0.080 0.000 0.800 316 P CB 1.090 32.748 31.700 -0.070 0.000 0.945 317 L N 2.375 123.472 121.223 -0.210 0.000 2.298 317 L HA 0.270 4.612 4.340 0.003 0.000 0.209 317 L C 0.861 177.386 176.870 -0.576 0.000 1.084 317 L CA 0.706 55.342 54.840 -0.339 0.000 0.816 317 L CB -0.129 41.617 42.059 -0.522 0.000 0.967 317 L HN 0.299 nan 8.230 nan 0.000 0.460 318 L N 0.742 121.627 121.223 -0.564 0.000 2.617 318 L HA 0.354 4.696 4.340 0.003 0.000 0.259 318 L C -0.946 175.652 176.870 -0.454 0.000 0.995 318 L CA -0.043 54.381 54.840 -0.693 0.000 0.899 318 L CB 2.324 43.685 42.059 -1.163 0.000 1.181 318 L HN 0.020 nan 8.230 nan 0.000 0.437 319 E N 1.774 121.839 120.200 -0.225 0.000 2.210 319 E HA 0.541 4.893 4.350 0.003 0.000 0.266 319 E C -0.145 176.470 176.600 0.026 0.000 0.883 319 E CA -0.704 55.661 56.400 -0.059 0.000 0.761 319 E CB 2.201 31.862 29.700 -0.065 0.000 1.156 319 E HN 0.598 nan 8.360 nan 0.000 0.412 320 G N 2.657 111.503 108.800 0.076 0.000 2.394 320 G HA2 0.352 4.314 3.960 0.003 0.000 0.298 320 G HA3 0.352 4.314 3.960 0.003 0.000 0.298 320 G C 0.300 175.145 174.900 -0.092 0.000 1.087 320 G CA -0.263 44.831 45.100 -0.011 0.000 1.035 320 G HN 0.487 nan 8.290 nan 0.000 0.420 321 G N 2.314 111.073 108.800 -0.067 0.000 2.404 321 G HA2 0.338 4.300 3.960 0.003 0.000 0.289 321 G HA3 0.338 4.300 3.960 0.003 0.000 0.289 321 G C 0.235 175.080 174.900 -0.092 0.000 1.074 321 G CA -0.380 44.677 45.100 -0.072 0.000 1.210 321 G HN 0.665 nan 8.290 nan 0.000 0.434 322 L N 4.935 126.083 121.223 -0.126 0.000 2.456 322 L HA 0.395 4.737 4.340 0.003 0.000 0.272 322 L C -1.703 175.135 176.870 -0.054 0.000 1.189 322 L CA -1.213 53.555 54.840 -0.121 0.000 0.846 322 L CB 0.437 42.394 42.059 -0.171 0.000 1.111 322 L HN 0.286 nan 8.230 nan 0.000 0.475 323 P HA 0.272 nan 4.420 nan 0.000 0.271 323 P C 0.310 177.616 177.300 0.009 0.000 1.218 323 P CA 0.241 63.336 63.100 -0.008 0.000 0.780 323 P CB 0.600 32.299 31.700 -0.002 0.000 0.901 324 E N 2.169 122.375 120.200 0.011 0.000 2.106 324 E HA -0.222 4.130 4.350 0.003 0.000 0.192 324 E C 1.375 177.993 176.600 0.030 0.000 0.984 324 E CA 1.780 58.192 56.400 0.020 0.000 0.806 324 E CB -1.253 28.457 29.700 0.016 0.000 0.750 324 E HN 0.758 nan 8.360 nan 0.000 0.458 325 D N 0.363 120.779 120.400 0.026 0.000 2.178 325 D HA -0.122 4.520 4.640 0.003 0.000 0.201 325 D C 2.045 178.369 176.300 0.041 0.000 0.980 325 D CA 1.087 55.104 54.000 0.029 0.000 0.842 325 D CB -0.329 40.484 40.800 0.022 0.000 0.948 325 D HN 0.473 nan 8.370 nan 0.000 0.472 326 L N -0.066 121.186 121.223 0.048 0.000 2.217 326 L HA -0.072 4.270 4.340 0.003 0.000 0.211 326 L C 3.069 179.999 176.870 0.100 0.000 1.107 326 L CA 0.446 55.330 54.840 0.074 0.000 0.783 326 L CB -0.231 41.879 42.059 0.085 0.000 0.919 326 L HN -0.014 nan 8.230 nan 0.000 0.442 327 R N 0.327 120.880 120.500 0.088 0.000 2.081 327 R HA -0.137 4.205 4.340 0.003 0.000 0.235 327 R C 2.682 179.033 176.300 0.086 0.000 1.131 327 R CA 1.650 57.809 56.100 0.098 0.000 0.960 327 R CB -0.928 29.415 30.300 0.071 0.000 0.856 327 R HN 0.568 nan 8.270 nan 0.000 0.436 328 R N 0.451 120.990 120.500 0.065 0.000 2.235 328 R HA 0.011 4.353 4.340 0.003 0.000 0.213 328 R C 2.281 178.616 176.300 0.058 0.000 1.059 328 R CA 1.748 57.882 56.100 0.057 0.000 0.997 328 R CB -1.319 29.008 30.300 0.044 0.000 0.884 328 R HN 0.757 nan 8.270 nan 0.000 0.462 329 S N -0.262 115.475 115.700 0.062 0.000 2.481 329 S HA 0.102 4.574 4.470 0.003 0.000 0.231 329 S C 0.758 175.397 174.600 0.066 0.000 0.996 329 S CA 0.340 58.574 58.200 0.056 0.000 0.942 329 S CB -0.364 62.868 63.200 0.053 0.000 0.768 329 S HN 0.469 nan 8.310 nan 0.000 0.520 330 I N 1.999 122.617 120.570 0.079 0.000 2.287 330 I HA 0.392 4.564 4.170 0.003 0.000 0.290 330 I C 1.197 177.368 176.117 0.090 0.000 1.069 330 I CA -0.317 61.036 61.300 0.088 0.000 1.237 330 I CB 1.161 39.217 38.000 0.094 0.000 1.418 330 I HN 0.205 nan 8.210 nan 0.000 0.481 331 A N 4.701 127.578 122.820 0.096 0.000 2.066 331 A HA 0.483 4.805 4.320 0.003 0.000 0.218 331 A C 1.158 178.797 177.584 0.091 0.000 1.157 331 A CA 1.139 53.230 52.037 0.091 0.000 0.670 331 A CB -0.207 18.853 19.000 0.099 0.000 0.804 331 A HN 0.767 nan 8.150 nan 0.000 0.453 332 G N -2.310 106.551 108.800 0.102 0.000 2.349 332 G HA2 0.517 4.479 3.960 0.003 0.000 0.294 332 G HA3 0.517 4.479 3.960 0.003 0.000 0.294 332 G C -0.985 173.979 174.900 0.108 0.000 1.380 332 G CA 0.218 45.376 45.100 0.097 0.000 0.811 332 G HN 1.251 nan 8.290 nan 0.000 0.519 333 S N -0.808 114.954 115.700 0.103 0.000 2.543 333 S HA 0.838 5.310 4.470 0.003 0.000 0.273 333 S C -0.915 173.735 174.600 0.084 0.000 1.152 333 S CA -0.892 57.377 58.200 0.116 0.000 0.910 333 S CB 2.175 65.464 63.200 0.149 0.000 1.105 333 S HN 0.917 nan 8.310 nan 0.000 0.465 334 R N 0.802 121.326 120.500 0.041 0.000 2.795 334 R HA 0.653 4.995 4.340 0.003 0.000 0.275 334 R C -1.661 174.474 176.300 -0.275 0.000 0.981 334 R CA -1.051 55.017 56.100 -0.054 0.000 0.917 334 R CB 1.569 31.863 30.300 -0.011 0.000 1.202 334 R HN 0.552 nan 8.270 nan 0.000 0.469 335 L N 2.953 123.929 121.223 -0.411 0.000 2.264 335 L HA 0.490 4.832 4.340 0.003 0.000 0.289 335 L C -0.655 175.925 176.870 -0.484 0.000 1.044 335 L CA -0.423 53.988 54.840 -0.714 0.000 0.807 335 L CB 1.505 43.105 42.059 -0.764 0.000 1.192 335 L HN 0.541 nan 8.230 nan 0.000 0.425 336 V N 1.886 121.441 119.914 -0.597 0.000 2.960 336 V HA 0.700 4.822 4.120 0.003 0.000 0.315 336 V C -1.454 174.235 176.094 -0.676 0.000 1.087 336 V CA -0.820 61.181 62.300 -0.498 0.000 0.982 336 V CB 1.835 33.319 31.823 -0.565 0.000 1.039 336 V HN 0.790 nan 8.190 nan 0.000 0.437 337 W N 1.870 122.955 121.300 -0.359 0.000 2.338 337 W HA 0.711 5.373 4.660 0.004 0.000 0.315 337 W C -0.535 175.804 176.519 -0.300 0.000 1.005 337 W CA -0.674 56.489 57.345 -0.304 0.000 1.380 337 W CB 1.662 30.991 29.460 -0.217 0.000 1.235 337 W HN 0.511 nan 8.180 nan 0.000 0.409 338 V N 2.735 122.549 119.914 -0.167 0.000 2.461 338 V HA 0.100 4.222 4.120 0.003 0.000 0.275 338 V C 0.426 176.542 176.094 0.037 0.000 1.047 338 V CA -0.948 61.274 62.300 -0.129 0.000 0.955 338 V CB 1.192 32.921 31.823 -0.157 0.000 0.988 338 V HN 0.478 nan 8.190 nan 0.000 0.471 339 E N 3.638 123.887 120.200 0.081 0.000 2.299 339 E HA 0.233 4.585 4.350 0.003 0.000 0.272 339 E C 0.176 176.855 176.600 0.132 0.000 1.043 339 E CA 0.036 56.494 56.400 0.096 0.000 0.895 339 E CB 0.761 30.514 29.700 0.089 0.000 1.011 339 E HN 0.739 nan 8.360 nan 0.000 0.432 340 S N 3.055 118.844 115.700 0.149 0.000 2.666 340 S HA 0.179 4.651 4.470 0.003 0.000 0.279 340 S C 0.791 175.502 174.600 0.184 0.000 1.149 340 S CA -0.478 57.855 58.200 0.221 0.000 1.020 340 S CB 0.192 63.583 63.200 0.318 0.000 1.127 340 S HN 0.620 nan 8.310 nan 0.000 0.537 341 F N 0.949 120.961 119.950 0.103 0.000 2.408 341 F HA 0.112 4.641 4.527 0.003 0.000 0.300 341 F C 1.164 177.008 175.800 0.073 0.000 1.090 341 F CA 1.240 59.286 58.000 0.076 0.000 1.427 341 F CB -0.135 38.903 39.000 0.063 0.000 1.070 341 F HN 0.494 nan 8.300 nan 0.000 0.549 342 D N -1.086 118.837 120.400 -0.796 0.000 2.535 342 D HA 0.241 4.883 4.640 0.003 0.000 0.229 342 D C 1.650 177.786 176.300 -0.273 0.000 1.238 342 D CA 0.309 53.886 54.000 -0.707 0.000 0.824 342 D CB 0.141 40.292 40.800 -1.082 0.000 1.045 342 D HN 0.404 nan 8.370 nan 0.000 0.500 343 G N 0.217 108.933 108.800 -0.140 0.000 2.217 343 G HA2 -0.281 3.681 3.960 0.003 0.000 0.246 343 G HA3 -0.281 3.681 3.960 0.003 0.000 0.246 343 G C 0.436 175.328 174.900 -0.014 0.000 0.990 343 G CA 0.199 45.267 45.100 -0.053 0.000 0.627 343 G HN 0.410 nan 8.290 nan 0.000 0.522 344 S N 1.199 116.910 115.700 0.018 0.000 2.572 344 S HA 0.522 4.994 4.470 0.003 0.000 0.279 344 S C 0.577 175.223 174.600 0.076 0.000 1.341 344 S CA -0.142 58.119 58.200 0.100 0.000 1.043 344 S CB 0.725 64.126 63.200 0.336 0.000 0.887 344 S HN 0.397 nan 8.310 nan 0.000 0.516 345 R N 2.030 122.519 120.500 -0.019 0.000 2.265 345 R HA 0.340 4.682 4.340 0.003 0.000 0.328 345 R C -1.241 175.011 176.300 -0.080 0.000 0.969 345 R CA -0.447 55.663 56.100 0.017 0.000 0.832 345 R CB 1.080 31.410 30.300 0.050 0.000 1.139 345 R HN 0.356 nan 8.270 nan 0.000 0.457 346 V N 6.330 126.230 119.914 -0.023 0.000 2.334 346 V HA 0.192 4.314 4.120 0.003 0.000 0.267 346 V C -1.855 174.044 176.094 -0.325 0.000 1.040 346 V CA -1.890 60.356 62.300 -0.091 0.000 0.866 346 V CB 1.127 33.036 31.823 0.144 0.000 1.019 346 V HN 0.519 nan 8.190 nan 0.000 0.468 347 P HA 0.180 nan 4.420 nan 0.000 0.266 347 P C -0.303 176.620 177.300 -0.629 0.000 1.215 347 P CA 0.234 62.665 63.100 -1.116 0.000 0.763 347 P CB 0.492 31.202 31.700 -1.650 0.000 0.806 348 T N 3.834 118.024 114.554 -0.606 0.000 2.881 348 T HA 0.309 4.661 4.350 0.003 0.000 0.291 348 T C -0.634 173.870 174.700 -0.326 0.000 0.990 348 T CA -0.211 61.693 62.100 -0.327 0.000 0.976 348 T CB 0.362 69.026 68.868 -0.339 0.000 0.970 348 T HN 0.122 nan 8.240 nan 0.000 0.438 349 Y N 1.778 121.987 120.300 -0.152 0.000 2.299 349 Y HA 0.538 5.090 4.550 0.004 0.000 0.326 349 Y C 0.218 176.104 175.900 -0.024 0.000 1.164 349 Y CA -0.390 57.657 58.100 -0.088 0.000 1.234 349 Y CB 1.080 39.512 38.460 -0.047 0.000 1.219 349 Y HN 0.324 nan 8.280 nan 0.000 0.497 350 V N 5.573 125.555 119.914 0.114 0.000 2.577 350 V HA 0.348 4.470 4.120 0.003 0.000 0.303 350 V C -0.655 175.534 176.094 0.158 0.000 1.042 350 V CA -1.037 61.348 62.300 0.141 0.000 0.872 350 V CB 1.775 33.681 31.823 0.138 0.000 0.998 350 V HN 0.556 nan 8.190 nan 0.000 0.423 351 L N 3.693 125.020 121.223 0.173 0.000 2.296 351 L HA 0.710 5.052 4.340 0.003 0.000 0.286 351 L C 0.577 177.581 176.870 0.223 0.000 1.023 351 L CA -0.271 54.668 54.840 0.165 0.000 0.812 351 L CB 1.680 43.816 42.059 0.129 0.000 1.223 351 L HN 0.897 nan 8.230 nan 0.000 0.421 352 E N 2.237 122.567 120.200 0.216 0.000 2.249 352 E HA 0.398 4.750 4.350 0.003 0.000 0.280 352 E C -0.220 176.561 176.600 0.302 0.000 1.016 352 E CA -0.462 56.146 56.400 0.346 0.000 0.830 352 E CB 1.875 31.687 29.700 0.187 0.000 1.081 352 E HN 0.536 nan 8.360 nan 0.000 0.395 353 S N 1.186 117.076 115.700 0.317 0.000 2.537 353 S HA 0.478 4.950 4.470 0.003 0.000 0.275 353 S C 1.417 176.063 174.600 0.076 0.000 1.272 353 S CA 0.165 58.413 58.200 0.080 0.000 1.050 353 S CB 0.834 63.982 63.200 -0.088 0.000 0.961 353 S HN 0.897 nan 8.310 nan 0.000 0.496 354 G N 3.568 112.404 108.800 0.060 0.000 2.650 354 G HA2 -0.009 3.953 3.960 0.003 0.000 0.214 354 G HA3 -0.009 3.953 3.960 0.003 0.000 0.214 354 G C 1.063 175.974 174.900 0.017 0.000 1.136 354 G CA -0.062 45.069 45.100 0.050 0.000 0.789 354 G HN 0.749 nan 8.290 nan 0.000 0.536 355 R N -0.026 120.466 120.500 -0.012 0.000 2.466 355 R HA 0.507 4.849 4.340 0.003 0.000 0.279 355 R C 0.325 176.569 176.300 -0.095 0.000 0.976 355 R CA 0.022 56.099 56.100 -0.039 0.000 1.081 355 R CB 0.681 30.962 30.300 -0.031 0.000 1.215 355 R HN 0.252 nan 8.270 nan 0.000 0.546 356 A N 1.789 124.537 122.820 -0.120 0.000 2.384 356 A HA 0.692 5.014 4.320 0.003 0.000 0.312 356 A C -2.492 175.061 177.584 -0.052 0.000 1.113 356 A CA -1.678 50.245 52.037 -0.190 0.000 0.779 356 A CB 1.188 19.889 19.000 -0.498 0.000 1.307 356 A HN -0.089 nan 8.150 nan 0.000 0.436 357 P HA 0.544 nan 4.420 nan 0.000 0.278 357 P C -0.840 176.576 177.300 0.193 0.000 1.266 357 P CA -0.169 62.969 63.100 0.063 0.000 0.807 357 P CB 1.050 32.764 31.700 0.023 0.000 1.094 358 T N 1.341 115.973 114.554 0.130 0.000 2.864 358 T HA 0.419 4.771 4.350 0.003 0.000 0.299 358 T C -2.076 172.641 174.700 0.028 0.000 1.011 358 T CA -0.884 61.272 62.100 0.094 0.000 0.975 358 T CB 0.660 69.544 68.868 0.027 0.000 0.962 358 T HN 0.411 nan 8.240 nan 0.000 0.448 359 P HA 0.695 nan 4.420 nan 0.000 0.274 359 P C -0.081 177.285 177.300 0.110 0.000 1.246 359 P CA -0.279 62.840 63.100 0.032 0.000 0.795 359 P CB 1.035 32.730 31.700 -0.009 0.000 1.006 360 G N -0.460 108.458 108.800 0.196 0.000 2.600 360 G HA2 0.486 4.448 3.960 0.003 0.000 0.293 360 G HA3 0.486 4.448 3.960 0.003 0.000 0.293 360 G C -3.337 171.673 174.900 0.184 0.000 1.408 360 G CA -1.195 44.002 45.100 0.163 0.000 0.782 360 G HN 0.234 nan 8.290 nan 0.000 0.482 361 P HA 0.241 nan 4.420 nan 0.000 0.260 361 P C -0.373 177.124 177.300 0.327 0.000 1.172 361 P CA 0.691 63.888 63.100 0.162 0.000 0.760 361 P CB 0.702 32.323 31.700 -0.132 0.000 0.773 362 T N 2.661 117.491 114.554 0.460 0.000 2.916 362 T HA 0.410 4.762 4.350 0.003 0.000 0.298 362 T C -0.684 174.312 174.700 0.493 0.000 1.031 362 T CA -0.420 61.953 62.100 0.456 0.000 0.993 362 T CB 1.189 70.262 68.868 0.342 0.000 1.045 362 T HN -0.072 nan 8.240 nan 0.000 0.454 363 V N 3.282 123.438 119.914 0.404 0.000 2.448 363 V HA 0.380 4.502 4.120 0.003 0.000 0.295 363 V C -0.007 176.231 176.094 0.239 0.000 1.025 363 V CA -0.810 61.665 62.300 0.292 0.000 0.859 363 V CB 1.928 33.805 31.823 0.090 0.000 0.988 363 V HN 0.740 nan 8.190 nan 0.000 0.431 364 V N 6.459 126.510 119.914 0.228 0.000 2.338 364 V HA 0.180 4.302 4.120 0.003 0.000 0.255 364 V C 0.048 176.208 176.094 0.109 0.000 1.082 364 V CA -0.155 62.267 62.300 0.202 0.000 0.951 364 V CB 0.871 32.862 31.823 0.280 0.000 1.102 364 V HN 0.624 nan 8.190 nan 0.000 0.489 365 L N 7.866 129.167 121.223 0.129 0.000 2.295 365 L HA 0.372 4.714 4.340 0.003 0.000 0.288 365 L C -0.015 176.942 176.870 0.144 0.000 1.079 365 L CA 0.518 55.427 54.840 0.115 0.000 0.830 365 L CB 0.954 43.083 42.059 0.117 0.000 1.200 365 L HN 0.397 nan 8.230 nan 0.000 0.438 366 V N 5.248 125.234 119.914 0.120 0.000 2.406 366 V HA 0.239 4.361 4.120 0.003 0.000 0.272 366 V C 0.131 176.339 176.094 0.190 0.000 1.043 366 V CA -0.770 61.617 62.300 0.144 0.000 0.915 366 V CB 0.358 32.201 31.823 0.035 0.000 0.988 366 V HN 0.915 nan 8.190 nan 0.000 0.466 367 H N 2.826 122.071 119.070 0.292 0.000 2.757 367 H HA 0.616 5.174 4.556 0.003 0.000 0.370 367 H C 0.564 176.100 175.328 0.347 0.000 1.172 367 H CA 0.255 56.444 56.048 0.234 0.000 1.426 367 H CB 0.673 30.521 29.762 0.144 0.000 1.438 367 H HN 0.673 nan 8.280 nan 0.000 0.612 368 G N -0.431 108.627 108.800 0.431 0.000 2.510 368 G HA2 0.513 4.475 3.960 0.003 0.000 0.280 368 G HA3 0.513 4.475 3.960 0.003 0.000 0.280 368 G C 0.448 175.610 174.900 0.437 0.000 1.386 368 G CA -0.491 44.859 45.100 0.417 0.000 1.047 368 G HN 1.272 nan 8.290 nan 0.000 0.527 369 G N -0.856 108.112 108.800 0.280 0.000 1.676 369 G HA2 -0.107 3.855 3.960 0.003 0.000 0.199 369 G HA3 -0.107 3.855 3.960 0.003 0.000 0.199 369 G C -1.379 173.467 174.900 -0.090 0.000 1.990 369 G CA 0.556 45.726 45.100 0.117 0.000 1.393 369 G HN 0.746 nan 8.290 nan 0.000 0.449 370 P HA 0.251 nan 4.420 nan 0.000 0.249 370 P C 0.286 177.605 177.300 0.032 0.000 1.229 370 P CA 0.171 63.110 63.100 -0.269 0.000 0.788 370 P CB -0.271 31.059 31.700 -0.616 0.000 1.072 371 F N 1.252 121.283 119.950 0.135 0.000 2.678 371 F HA 0.424 4.953 4.527 0.003 0.000 0.358 371 F C 1.203 177.045 175.800 0.069 0.000 1.256 371 F CA -0.721 57.356 58.000 0.127 0.000 1.278 371 F CB -0.161 38.947 39.000 0.179 0.000 1.681 371 F HN 0.021 nan 8.300 nan 0.000 0.661 372 A N 2.189 125.118 122.820 0.182 0.000 2.529 372 A HA 0.795 5.117 4.320 0.003 0.000 0.296 372 A C -1.107 176.237 177.584 -0.401 0.000 1.205 372 A CA -0.763 51.244 52.037 -0.050 0.000 0.671 372 A CB 2.085 21.073 19.000 -0.021 0.000 1.301 372 A HN 0.489 nan 8.150 nan 0.000 0.450 373 E N 0.349 120.265 120.200 -0.473 0.000 2.390 373 E HA 0.437 4.789 4.350 0.003 0.000 0.277 373 E C -1.906 174.480 176.600 -0.355 0.000 0.939 373 E CA -0.760 55.356 56.400 -0.474 0.000 0.769 373 E CB 1.762 31.403 29.700 -0.097 0.000 1.251 373 E HN 0.429 nan 8.360 nan 0.000 0.450 374 D N 2.229 122.500 120.400 -0.215 0.000 2.316 374 D HA 0.238 4.880 4.640 0.003 0.000 0.245 374 D C -0.394 175.757 176.300 -0.248 0.000 1.171 374 D CA 0.216 54.139 54.000 -0.129 0.000 0.856 374 D CB 1.551 42.377 40.800 0.044 0.000 1.090 374 D HN 0.510 nan 8.370 nan 0.000 0.476 375 S N 1.000 116.434 115.700 -0.443 0.000 2.811 375 S HA 0.272 4.744 4.470 0.003 0.000 0.311 375 S C -0.387 173.699 174.600 -0.857 0.000 1.152 375 S CA -0.964 56.838 58.200 -0.663 0.000 0.864 375 S CB 1.773 64.802 63.200 -0.284 0.000 1.226 375 S HN 0.121 nan 8.310 nan 0.000 0.541 376 D N 1.082 121.100 120.400 -0.636 0.000 2.541 376 D HA 0.511 5.153 4.640 0.003 0.000 0.231 376 D C -0.843 175.339 176.300 -0.197 0.000 1.163 376 D CA 0.603 54.421 54.000 -0.303 0.000 1.077 376 D CB -0.673 40.093 40.800 -0.056 0.000 1.110 376 D HN 0.465 nan 8.370 nan 0.000 0.499 377 S N 1.898 117.483 115.700 -0.192 0.000 2.556 377 S HA 0.230 4.702 4.470 0.003 0.000 0.271 377 S C -1.133 173.448 174.600 -0.031 0.000 1.135 377 S CA -0.941 57.193 58.200 -0.110 0.000 0.858 377 S CB 1.249 64.373 63.200 -0.127 0.000 1.114 377 S HN 0.396 nan 8.310 nan 0.000 0.468 378 W N 3.170 124.381 121.300 -0.147 0.000 2.264 378 W HA 0.193 4.855 4.660 0.002 0.000 0.331 378 W C -0.974 175.490 176.519 -0.091 0.000 1.364 378 W CA 0.834 58.114 57.345 -0.107 0.000 1.253 378 W CB 0.441 29.837 29.460 -0.108 0.000 1.215 378 W HN 0.575 nan 8.180 nan 0.000 0.561 379 D N 4.322 124.285 120.400 -0.729 0.000 2.473 379 D HA 0.140 4.782 4.640 0.003 0.000 0.253 379 D C 0.879 176.737 176.300 -0.737 0.000 1.233 379 D CA -0.291 53.388 54.000 -0.535 0.000 0.908 379 D CB 1.569 42.177 40.800 -0.319 0.000 1.170 379 D HN 0.266 nan 8.370 nan 0.000 0.558 380 T N 2.643 116.942 114.554 -0.424 0.000 2.759 380 T HA -0.125 4.227 4.350 0.003 0.000 0.269 380 T C 1.614 176.307 174.700 -0.012 0.000 1.042 380 T CA 0.996 63.004 62.100 -0.154 0.000 1.140 380 T CB -0.155 68.796 68.868 0.138 0.000 0.864 380 T HN 0.351 nan 8.240 nan 0.000 0.455 381 F N 1.777 121.583 119.950 -0.240 0.000 2.075 381 F HA 0.022 4.551 4.527 0.003 0.000 0.297 381 F C 2.703 178.390 175.800 -0.188 0.000 1.113 381 F CA 0.470 58.358 58.000 -0.188 0.000 1.218 381 F CB -1.434 37.475 39.000 -0.152 0.000 0.984 381 F HN 0.140 nan 8.300 nan 0.000 0.472 382 A N -0.092 122.728 122.820 0.001 0.000 1.908 382 A HA -0.090 4.232 4.320 0.003 0.000 0.218 382 A C 2.444 179.953 177.584 -0.126 0.000 1.181 382 A CA 2.065 54.063 52.037 -0.066 0.000 0.627 382 A CB -1.344 17.594 19.000 -0.103 0.000 0.818 382 A HN 0.324 nan 8.150 nan 0.000 0.445 383 A N 0.188 122.844 122.820 -0.273 0.000 1.877 383 A HA -0.107 4.215 4.320 0.003 0.000 0.216 383 A C 2.551 180.077 177.584 -0.098 0.000 1.186 383 A CA 2.451 54.327 52.037 -0.269 0.000 0.620 383 A CB -1.014 17.657 19.000 -0.549 0.000 0.822 383 A HN 1.070 nan 8.150 nan 0.000 0.443 384 S N -0.203 115.443 115.700 -0.091 0.000 2.402 384 S HA -0.060 4.412 4.470 0.003 0.000 0.229 384 S C 1.903 176.487 174.600 -0.027 0.000 1.021 384 S CA 1.313 59.478 58.200 -0.058 0.000 0.974 384 S CB -0.654 62.480 63.200 -0.111 0.000 0.800 384 S HN 0.436 nan 8.310 nan 0.000 0.484 385 L N 1.259 122.460 121.223 -0.037 0.000 2.056 385 L HA -0.000 4.342 4.340 0.003 0.000 0.207 385 L C 3.241 180.210 176.870 0.164 0.000 1.078 385 L CA 1.223 56.077 54.840 0.024 0.000 0.749 385 L CB -0.838 41.193 42.059 -0.048 0.000 0.901 385 L HN 0.481 nan 8.230 nan 0.000 0.433 386 A N -0.009 122.864 122.820 0.089 0.000 1.933 386 A HA -0.165 4.157 4.320 0.003 0.000 0.218 386 A C 2.505 180.129 177.584 0.067 0.000 1.175 386 A CA 1.682 53.770 52.037 0.086 0.000 0.628 386 A CB -0.693 18.341 19.000 0.057 0.000 0.814 386 A HN 0.402 nan 8.150 nan 0.000 0.444 387 A N -0.401 122.453 122.820 0.057 0.000 1.972 387 A HA 0.235 4.556 4.320 0.003 0.000 0.219 387 A C 2.234 179.852 177.584 0.057 0.000 1.169 387 A CA 1.730 53.795 52.037 0.048 0.000 0.635 387 A CB -0.674 18.350 19.000 0.040 0.000 0.810 387 A HN 1.081 nan 8.150 nan 0.000 0.446 388 A N -1.752 121.133 122.820 0.109 0.000 2.251 388 A HA 0.431 4.753 4.320 0.003 0.000 0.209 388 A C 1.546 179.173 177.584 0.071 0.000 1.187 388 A CA 1.066 53.195 52.037 0.154 0.000 0.823 388 A CB -0.838 18.329 19.000 0.278 0.000 0.846 388 A HN 1.880 nan 8.150 nan 0.000 0.486 389 G N -1.649 107.152 108.800 0.001 0.000 2.164 389 G HA2 -0.188 3.774 3.960 0.003 0.000 0.212 389 G HA3 -0.188 3.774 3.960 0.003 0.000 0.212 389 G C -0.315 174.323 174.900 -0.436 0.000 1.031 389 G CA -0.094 44.879 45.100 -0.212 0.000 0.730 389 G HN 0.314 nan 8.290 nan 0.000 0.501 390 F N 1.215 121.105 119.950 -0.100 0.000 2.495 390 F HA 0.554 5.083 4.527 0.003 0.000 0.327 390 F C 0.886 176.632 175.800 -0.090 0.000 1.103 390 F CA -1.187 56.763 58.000 -0.084 0.000 0.949 390 F CB 1.170 40.174 39.000 0.007 0.000 1.142 390 F HN 0.081 nan 8.300 nan 0.000 0.457 391 H N 1.982 121.200 119.070 0.246 0.000 2.790 391 H HA 0.384 4.942 4.556 0.004 0.000 0.358 391 H C -0.430 175.035 175.328 0.229 0.000 1.103 391 H CA -0.052 56.115 56.048 0.199 0.000 1.426 391 H CB 1.186 31.046 29.762 0.163 0.000 1.424 391 H HN 0.266 nan 8.280 nan 0.000 0.599 392 V N 3.365 123.464 119.914 0.309 0.000 2.540 392 V HA 0.274 4.396 4.120 0.003 0.000 0.302 392 V C 0.083 176.315 176.094 0.229 0.000 1.035 392 V CA -0.798 61.641 62.300 0.231 0.000 0.873 392 V CB 1.964 33.878 31.823 0.152 0.000 0.992 392 V HN 0.426 nan 8.190 nan 0.000 0.428 393 V N 5.919 125.972 119.914 0.231 0.000 2.487 393 V HA 0.557 4.679 4.120 0.003 0.000 0.298 393 V C -0.246 175.967 176.094 0.198 0.000 1.028 393 V CA -0.410 62.028 62.300 0.231 0.000 0.860 393 V CB 1.801 33.800 31.823 0.294 0.000 0.991 393 V HN 0.915 nan 8.190 nan 0.000 0.427 394 M N 7.134 126.839 119.600 0.175 0.000 1.960 394 M HA 0.365 4.847 4.480 0.003 0.000 0.271 394 M C -3.018 173.394 176.300 0.188 0.000 0.862 394 M CA -1.411 54.002 55.300 0.188 0.000 0.854 394 M CB 2.048 34.749 32.600 0.169 0.000 1.575 394 M HN 0.294 nan 8.290 nan 0.000 0.375 395 P HA 0.163 nan 4.420 nan 0.000 0.287 395 P C -0.891 176.572 177.300 0.271 0.000 1.281 395 P CA -0.220 62.996 63.100 0.193 0.000 0.781 395 P CB 0.663 32.500 31.700 0.229 0.000 0.903 396 N N 3.672 122.466 118.700 0.157 0.000 2.895 396 N HA 0.034 4.776 4.740 0.003 0.000 0.277 396 N C 0.341 176.034 175.510 0.305 0.000 1.185 396 N CA -0.050 53.099 53.050 0.166 0.000 1.106 396 N CB -0.463 38.033 38.487 0.015 0.000 1.422 396 N HN 0.480 nan 8.380 nan 0.000 0.521 397 Y N 0.062 120.579 120.300 0.362 0.000 2.546 397 Y HA 0.006 4.558 4.550 0.003 0.000 0.351 397 Y C 1.150 177.154 175.900 0.172 0.000 1.266 397 Y CA -1.209 57.067 58.100 0.292 0.000 1.487 397 Y CB 0.296 38.843 38.460 0.145 0.000 1.365 397 Y HN 0.270 nan 8.280 nan 0.000 0.642 398 R N 1.109 121.525 120.500 -0.139 0.000 2.570 398 R HA 0.394 4.736 4.340 0.003 0.000 0.277 398 R C 0.740 176.922 176.300 -0.198 0.000 1.039 398 R CA 0.447 55.988 56.100 -0.931 0.000 1.065 398 R CB -0.087 29.515 30.300 -1.164 0.000 0.964 398 R HN 1.364 nan 8.270 nan 0.000 0.428 399 G N 1.768 110.463 108.800 -0.175 0.000 2.253 399 G HA2 -0.255 3.707 3.960 0.003 0.000 0.209 399 G HA3 -0.255 3.707 3.960 0.003 0.000 0.209 399 G C -0.124 174.936 174.900 0.267 0.000 0.997 399 G CA 0.016 45.224 45.100 0.180 0.000 0.640 399 G HN 0.650 nan 8.290 nan 0.000 0.496 400 S N 1.777 117.550 115.700 0.122 0.000 2.572 400 S HA 0.523 4.995 4.470 0.003 0.000 0.279 400 S C 0.957 175.743 174.600 0.311 0.000 1.341 400 S CA 0.515 58.839 58.200 0.206 0.000 1.043 400 S CB 1.105 64.441 63.200 0.227 0.000 0.887 400 S HN 1.117 nan 8.310 nan 0.000 0.516 401 T N -0.705 113.987 114.554 0.230 0.000 2.816 401 T HA 0.583 4.935 4.350 0.003 0.000 0.282 401 T C 1.241 176.073 174.700 0.221 0.000 0.993 401 T CA -0.072 62.145 62.100 0.195 0.000 0.994 401 T CB 0.797 69.739 68.868 0.123 0.000 1.025 401 T HN 1.225 nan 8.240 nan 0.000 0.529 402 G N -0.055 108.817 108.800 0.119 0.000 2.175 402 G HA2 -0.227 3.735 3.960 0.003 0.000 0.244 402 G HA3 -0.227 3.735 3.960 0.003 0.000 0.244 402 G C 0.121 174.810 174.900 -0.352 0.000 0.982 402 G CA 0.256 45.308 45.100 -0.081 0.000 0.641 402 G HN 0.801 nan 8.290 nan 0.000 0.527 403 Y N 0.494 120.855 120.300 0.102 0.000 2.768 403 Y HA 0.499 5.051 4.550 0.003 0.000 0.249 403 Y C 1.195 177.154 175.900 0.099 0.000 1.146 403 Y CA 0.244 58.383 58.100 0.066 0.000 1.171 403 Y CB 1.194 39.630 38.460 -0.040 0.000 1.249 403 Y HN 1.229 nan 8.280 nan 0.000 0.567 404 G N 0.492 109.405 108.800 0.188 0.000 2.539 404 G HA2 -0.182 3.780 3.960 0.003 0.000 0.686 404 G HA3 -0.182 3.780 3.960 0.003 0.000 0.686 404 G C 0.051 175.048 174.900 0.162 0.000 1.258 404 G CA -0.316 44.869 45.100 0.142 0.000 0.846 404 G HN 0.112 nan 8.290 nan 0.000 0.647 405 E N -0.153 120.097 120.200 0.084 0.000 2.153 405 E HA -0.114 4.238 4.350 0.003 0.000 0.194 405 E C 2.042 178.696 176.600 0.091 0.000 0.988 405 E CA 2.291 58.720 56.400 0.049 0.000 0.811 405 E CB -0.030 29.665 29.700 -0.009 0.000 0.746 405 E HN 0.643 nan 8.360 nan 0.000 0.466 406 E N -0.492 119.788 120.200 0.133 0.000 2.028 406 E HA -0.189 4.163 4.350 0.003 0.000 0.191 406 E C 1.801 178.538 176.600 0.228 0.000 0.988 406 E CA 1.082 57.574 56.400 0.153 0.000 0.799 406 E CB -0.447 29.346 29.700 0.156 0.000 0.755 406 E HN 0.525 nan 8.360 nan 0.000 0.447 407 W N 1.708 123.063 121.300 0.093 0.000 2.338 407 W HA -0.203 4.459 4.660 0.003 0.000 0.304 407 W C 2.309 178.912 176.519 0.141 0.000 1.212 407 W CA 1.372 58.791 57.345 0.123 0.000 1.264 407 W CB -0.117 29.432 29.460 0.147 0.000 1.142 407 W HN 0.080 nan 8.180 nan 0.000 0.512 408 R N 0.334 120.959 120.500 0.208 0.000 2.092 408 R HA -0.129 4.213 4.340 0.003 0.000 0.231 408 R C 2.294 178.645 176.300 0.086 0.000 1.119 408 R CA 1.300 57.473 56.100 0.122 0.000 0.970 408 R CB -0.617 29.734 30.300 0.084 0.000 0.864 408 R HN 0.231 nan 8.270 nan 0.000 0.440 409 L N 0.311 121.565 121.223 0.052 0.000 2.554 409 L HA 0.028 4.370 4.340 0.003 0.000 0.226 409 L C 1.945 178.848 176.870 0.054 0.000 1.137 409 L CA 0.460 55.333 54.840 0.054 0.000 0.863 409 L CB -0.042 42.033 42.059 0.026 0.000 0.985 409 L HN 0.120 nan 8.230 nan 0.000 0.451 410 K N 0.405 120.812 120.400 0.011 0.000 2.280 410 K HA -0.148 4.174 4.320 0.003 0.000 0.202 410 K C 1.982 178.583 176.600 0.001 0.000 1.047 410 K CA 1.080 57.357 56.287 -0.017 0.000 0.942 410 K CB 0.049 32.481 32.500 -0.113 0.000 0.739 410 K HN 0.295 nan 8.250 nan 0.000 0.457 411 I N 1.081 121.670 120.570 0.032 0.000 2.761 411 I HA -0.106 4.066 4.170 0.003 0.000 0.261 411 I C 0.107 176.260 176.117 0.060 0.000 1.198 411 I CA 0.185 61.525 61.300 0.066 0.000 1.482 411 I CB 0.322 38.391 38.000 0.113 0.000 1.100 411 I HN -0.019 nan 8.210 nan 0.000 0.445 412 I N 2.468 123.083 120.570 0.075 0.000 2.741 412 I HA -0.033 4.138 4.170 0.003 0.000 0.288 412 I C 1.564 177.684 176.117 0.006 0.000 1.192 412 I CA 1.277 62.604 61.300 0.045 0.000 1.426 412 I CB -0.739 37.304 38.000 0.071 0.000 1.367 412 I HN 0.513 nan 8.210 nan 0.000 0.563 413 G N 5.372 114.148 108.800 -0.039 0.000 2.155 413 G HA2 -0.275 3.687 3.960 0.003 0.000 0.257 413 G HA3 -0.275 3.687 3.960 0.003 0.000 0.257 413 G C 0.255 175.134 174.900 -0.034 0.000 0.983 413 G CA 0.513 45.583 45.100 -0.051 0.000 0.676 413 G HN 0.678 nan 8.290 nan 0.000 0.528 414 D N -0.057 120.336 120.400 -0.013 0.000 3.100 414 D HA 0.308 4.950 4.640 0.003 0.000 0.350 414 D C -2.274 174.067 176.300 0.068 0.000 1.310 414 D CA -0.941 53.071 54.000 0.020 0.000 0.741 414 D CB 1.100 41.917 40.800 0.029 0.000 1.248 414 D HN 0.264 nan 8.370 nan 0.000 0.527 415 P HA 0.119 nan 4.420 nan 0.000 0.275 415 P C 0.218 177.678 177.300 0.266 0.000 1.227 415 P CA -0.149 63.123 63.100 0.286 0.000 0.781 415 P CB 1.286 33.192 31.700 0.343 0.000 0.906 416 C N 2.420 121.849 119.300 0.216 0.000 3.690 416 C HA -0.059 4.403 4.460 0.003 0.000 0.295 416 C C 1.130 176.108 174.990 -0.019 0.000 1.283 416 C CA 1.025 60.046 59.018 0.005 0.000 2.212 416 C CB -2.277 25.467 27.740 0.007 0.000 1.407 416 C HN 0.901 nan 8.230 nan 0.000 0.595 417 G N 0.553 109.334 108.800 -0.031 0.000 3.551 417 G HA2 0.518 4.480 3.960 0.003 0.000 0.174 417 G HA3 0.518 4.480 3.960 0.003 0.000 0.174 417 G C 1.080 175.909 174.900 -0.118 0.000 1.280 417 G CA 0.795 45.852 45.100 -0.072 0.000 1.236 417 G HN 1.193 nan 8.290 nan 0.000 0.731 418 G N 0.897 109.661 108.800 -0.059 0.000 2.440 418 G HA2 -0.153 3.809 3.960 0.003 0.000 0.218 418 G HA3 -0.153 3.809 3.960 0.003 0.000 0.218 418 G C 1.520 176.440 174.900 0.034 0.000 1.154 418 G CA 1.939 47.036 45.100 -0.006 0.000 0.767 418 G HN 0.629 nan 8.290 nan 0.000 0.552 419 E N 0.622 120.844 120.200 0.036 0.000 2.106 419 E HA -0.116 4.236 4.350 0.003 0.000 0.192 419 E C 2.423 179.011 176.600 -0.020 0.000 0.984 419 E CA 1.007 57.448 56.400 0.068 0.000 0.806 419 E CB -0.596 29.171 29.700 0.112 0.000 0.750 419 E HN 0.360 nan 8.360 nan 0.000 0.458 420 L N 1.678 122.851 121.223 -0.083 0.000 2.093 420 L HA -0.104 4.238 4.340 0.003 0.000 0.208 420 L C 2.200 179.044 176.870 -0.043 0.000 1.085 420 L CA 1.723 56.499 54.840 -0.107 0.000 0.755 420 L CB -0.374 41.597 42.059 -0.147 0.000 0.904 420 L HN -0.043 nan 8.230 nan 0.000 0.435 421 E N -0.094 120.066 120.200 -0.066 0.000 2.153 421 E HA -0.188 4.164 4.350 0.003 0.000 0.194 421 E C 1.801 178.482 176.600 0.136 0.000 0.988 421 E CA 1.202 57.577 56.400 -0.040 0.000 0.811 421 E CB -0.284 29.247 29.700 -0.282 0.000 0.746 421 E HN 0.603 nan 8.360 nan 0.000 0.466 422 D N 0.344 120.859 120.400 0.192 0.000 2.097 422 D HA -0.097 4.545 4.640 0.003 0.000 0.197 422 D C 2.155 178.591 176.300 0.227 0.000 0.984 422 D CA 0.696 54.858 54.000 0.270 0.000 0.826 422 D CB -0.187 40.828 40.800 0.359 0.000 0.973 422 D HN 0.022 nan 8.370 nan 0.000 0.460 423 V N 1.138 121.161 119.914 0.181 0.000 2.407 423 V HA -0.202 3.920 4.120 0.003 0.000 0.248 423 V C 2.470 178.694 176.094 0.217 0.000 1.055 423 V CA 1.599 64.013 62.300 0.189 0.000 1.049 423 V CB -0.491 31.391 31.823 0.098 0.000 0.662 423 V HN 0.125 nan 8.190 nan 0.000 0.455 424 S N 0.378 116.169 115.700 0.152 0.000 2.383 424 S HA -0.107 4.365 4.470 0.003 0.000 0.227 424 S C 2.206 176.863 174.600 0.094 0.000 1.026 424 S CA 1.294 59.547 58.200 0.089 0.000 0.981 424 S CB -0.417 62.800 63.200 0.028 0.000 0.818 424 S HN 0.650 nan 8.310 nan 0.000 0.472 425 A N 1.550 124.457 122.820 0.145 0.000 1.930 425 A HA 0.224 4.546 4.320 0.003 0.000 0.217 425 A C 2.331 180.039 177.584 0.207 0.000 1.175 425 A CA 1.462 53.601 52.037 0.170 0.000 0.627 425 A CB -0.949 18.170 19.000 0.199 0.000 0.815 425 A HN 0.497 nan 8.150 nan 0.000 0.443 426 A N -0.087 122.860 122.820 0.213 0.000 1.933 426 A HA 0.177 4.499 4.320 0.003 0.000 0.218 426 A C 2.445 180.219 177.584 0.317 0.000 1.175 426 A CA 1.935 54.122 52.037 0.250 0.000 0.628 426 A CB -0.843 18.286 19.000 0.214 0.000 0.814 426 A HN 0.976 nan 8.150 nan 0.000 0.444 427 A N -0.411 122.550 122.820 0.234 0.000 1.930 427 A HA -0.096 4.226 4.320 0.003 0.000 0.217 427 A C 2.234 179.869 177.584 0.085 0.000 1.175 427 A CA 1.430 53.561 52.037 0.157 0.000 0.627 427 A CB -0.386 18.585 19.000 -0.048 0.000 0.815 427 A HN 0.515 nan 8.150 nan 0.000 0.443 428 R N -2.168 118.382 120.500 0.083 0.000 2.092 428 R HA -0.158 4.184 4.340 0.003 0.000 0.231 428 R C 1.962 178.328 176.300 0.109 0.000 1.119 428 R CA 1.478 57.613 56.100 0.058 0.000 0.970 428 R CB -0.330 30.005 30.300 0.059 0.000 0.864 428 R HN 0.809 nan 8.270 nan 0.000 0.440 429 W N 0.980 122.297 121.300 0.028 0.000 2.388 429 W HA -0.097 4.565 4.660 0.003 0.000 0.294 429 W C 1.975 178.509 176.519 0.026 0.000 1.212 429 W CA 1.384 58.747 57.345 0.031 0.000 1.271 429 W CB -0.137 29.350 29.460 0.044 0.000 1.126 429 W HN 0.052 nan 8.180 nan 0.000 0.535 430 A N 0.688 123.549 122.820 0.068 0.000 1.933 430 A HA -0.167 4.155 4.320 0.003 0.000 0.218 430 A C 1.935 179.338 177.584 -0.302 0.000 1.175 430 A CA 1.933 53.844 52.037 -0.209 0.000 0.628 430 A CB -0.773 18.315 19.000 0.147 0.000 0.814 430 A HN 0.338 nan 8.150 nan 0.000 0.444 431 R N 0.210 120.609 120.500 -0.169 0.000 2.062 431 R HA -0.064 4.278 4.340 0.003 0.000 0.231 431 R C 1.971 178.146 176.300 -0.208 0.000 1.136 431 R CA 2.035 58.045 56.100 -0.151 0.000 0.948 431 R CB -0.456 29.789 30.300 -0.093 0.000 0.845 431 R HN 0.638 nan 8.270 nan 0.000 0.430 432 E N -0.310 119.756 120.200 -0.223 0.000 2.152 432 E HA -0.112 4.240 4.350 0.003 0.000 0.192 432 E C 1.734 178.162 176.600 -0.288 0.000 0.983 432 E CA 1.322 57.604 56.400 -0.195 0.000 0.818 432 E CB 0.006 29.640 29.700 -0.110 0.000 0.758 432 E HN 0.483 nan 8.360 nan 0.000 0.467 433 S N -0.657 114.706 115.700 -0.561 0.000 2.453 433 S HA 0.040 4.512 4.470 0.003 0.000 0.231 433 S C 1.656 176.023 174.600 -0.388 0.000 1.005 433 S CA 0.828 58.669 58.200 -0.598 0.000 0.949 433 S CB 0.361 62.795 63.200 -1.276 0.000 0.774 433 S HN 0.356 nan 8.310 nan 0.000 0.510 434 G N 0.347 108.938 108.800 -0.349 0.000 2.184 434 G HA2 -0.195 3.767 3.960 0.003 0.000 0.206 434 G HA3 -0.195 3.767 3.960 0.003 0.000 0.206 434 G C 0.411 175.184 174.900 -0.211 0.000 0.995 434 G CA 0.225 45.193 45.100 -0.219 0.000 0.651 434 G HN 0.552 nan 8.290 nan 0.000 0.511 435 L N 0.909 121.953 121.223 -0.299 0.000 2.240 435 L HA 0.733 5.075 4.340 0.003 0.000 0.211 435 L C 1.564 178.357 176.870 -0.128 0.000 1.106 435 L CA 2.122 56.801 54.840 -0.268 0.000 0.793 435 L CB 0.042 41.912 42.059 -0.315 0.000 0.927 435 L HN 0.746 nan 8.230 nan 0.000 0.446 436 A N -1.688 121.079 122.820 -0.088 0.000 2.304 436 A HA 0.510 4.832 4.320 0.003 0.000 0.314 436 A C 0.917 178.502 177.584 0.001 0.000 1.187 436 A CA 0.107 52.154 52.037 0.016 0.000 0.810 436 A CB 0.832 19.847 19.000 0.025 0.000 1.183 436 A HN 0.328 nan 8.150 nan 0.000 0.487 437 S N 1.828 117.550 115.700 0.037 0.000 2.421 437 S HA 0.107 4.579 4.470 0.003 0.000 0.224 437 S C 0.447 175.043 174.600 -0.007 0.000 1.035 437 S CA 0.775 58.981 58.200 0.010 0.000 0.953 437 S CB -0.283 62.929 63.200 0.021 0.000 0.810 437 S HN 0.817 nan 8.310 nan 0.000 0.497 438 E N -0.021 120.182 120.200 0.004 0.000 2.429 438 E HA 0.718 5.070 4.350 0.003 0.000 0.276 438 E C -1.702 174.848 176.600 -0.085 0.000 0.953 438 E CA -1.093 55.263 56.400 -0.075 0.000 0.787 438 E CB 1.540 31.170 29.700 -0.117 0.000 1.307 438 E HN 0.139 nan 8.360 nan 0.000 0.458 439 L N 1.746 122.849 121.223 -0.201 0.000 2.385 439 L HA 0.548 4.890 4.340 0.003 0.000 0.273 439 L C -1.422 175.388 176.870 -0.099 0.000 0.990 439 L CA -0.808 54.017 54.840 -0.024 0.000 0.821 439 L CB 1.126 43.223 42.059 0.064 0.000 1.279 439 L HN 0.606 nan 8.230 nan 0.000 0.412 440 Y N 2.701 123.222 120.300 0.368 0.000 2.598 440 Y HA 0.630 5.183 4.550 0.004 0.000 0.340 440 Y C -0.334 175.534 175.900 -0.053 0.000 1.038 440 Y CA -0.787 57.445 58.100 0.221 0.000 1.100 440 Y CB 2.466 41.001 38.460 0.124 0.000 1.281 440 Y HN 0.365 nan 8.280 nan 0.000 0.488 441 I N 2.977 123.391 120.570 -0.261 0.000 2.509 441 I HA 0.623 4.795 4.170 0.003 0.000 0.293 441 I C -1.321 174.679 176.117 -0.196 0.000 1.020 441 I CA -0.830 60.146 61.300 -0.540 0.000 1.088 441 I CB 1.391 38.623 38.000 -1.279 0.000 1.267 441 I HN 0.808 nan 8.210 nan 0.000 0.430 442 M N 6.755 126.284 119.600 -0.119 0.000 2.421 442 M HA 0.771 5.253 4.480 0.003 0.000 0.287 442 M C -1.419 174.890 176.300 0.015 0.000 1.183 442 M CA -0.250 55.026 55.300 -0.039 0.000 0.916 442 M CB 2.266 34.851 32.600 -0.024 0.000 1.701 442 M HN 0.708 nan 8.290 nan 0.000 0.470 443 G N 2.068 110.905 108.800 0.060 0.000 2.616 443 G HA2 0.461 4.423 3.960 0.003 0.000 0.294 443 G HA3 0.461 4.423 3.960 0.003 0.000 0.294 443 G C -2.992 172.021 174.900 0.189 0.000 1.489 443 G CA -0.506 44.664 45.100 0.118 0.000 0.836 443 G HN 0.722 nan 8.290 nan 0.000 0.527 444 Y N 1.337 121.681 120.300 0.074 0.000 2.409 444 Y HA 0.600 5.152 4.550 0.003 0.000 0.343 444 Y C 0.815 176.761 175.900 0.076 0.000 0.973 444 Y CA 1.121 59.253 58.100 0.053 0.000 1.064 444 Y CB 1.753 40.228 38.460 0.025 0.000 1.207 444 Y HN 2.055 nan 8.280 nan 0.000 0.452 445 A N 3.779 126.367 122.820 -0.387 0.000 5.122 445 A HA -0.440 3.882 4.320 0.003 0.000 0.315 445 A C 1.138 178.767 177.584 0.075 0.000 1.926 445 A CA 2.069 54.044 52.037 -0.103 0.000 0.712 445 A CB -2.077 17.007 19.000 0.141 0.000 1.325 445 A HN 1.085 nan 8.150 nan 0.000 0.371 446 Y N 1.682 122.032 120.300 0.084 0.000 2.352 446 Y HA 0.171 4.723 4.550 0.003 0.000 0.292 446 Y C 2.518 178.490 175.900 0.120 0.000 1.136 446 Y CA 2.409 60.592 58.100 0.137 0.000 1.227 446 Y CB -0.710 37.857 38.460 0.178 0.000 0.991 446 Y HN 0.747 nan 8.280 nan 0.000 0.545 447 G N -0.724 108.189 108.800 0.189 0.000 2.418 447 G HA2 -0.253 3.709 3.960 0.003 0.000 0.217 447 G HA3 -0.253 3.709 3.960 0.003 0.000 0.217 447 G C 1.917 176.804 174.900 -0.022 0.000 1.158 447 G CA 0.753 45.900 45.100 0.078 0.000 0.771 447 G HN 0.536 nan 8.290 nan 0.000 0.545 448 G N -0.400 108.395 108.800 -0.009 0.000 2.422 448 G HA2 -0.216 3.746 3.960 0.003 0.000 0.218 448 G HA3 -0.216 3.746 3.960 0.003 0.000 0.218 448 G C 1.615 176.463 174.900 -0.088 0.000 1.140 448 G CA 1.013 46.082 45.100 -0.051 0.000 0.775 448 G HN 0.408 nan 8.290 nan 0.000 0.545 449 Y N 0.940 121.077 120.300 -0.271 0.000 2.165 449 Y HA -0.090 4.462 4.550 0.003 0.000 0.286 449 Y C 2.619 178.301 175.900 -0.362 0.000 1.155 449 Y CA 1.392 59.261 58.100 -0.385 0.000 1.164 449 Y CB -0.055 38.029 38.460 -0.626 0.000 0.978 449 Y HN 0.092 nan 8.280 nan 0.000 0.513 450 M N -0.795 118.524 119.600 -0.470 0.000 2.254 450 M HA -0.143 4.339 4.480 0.003 0.000 0.265 450 M C 1.973 178.073 176.300 -0.333 0.000 1.066 450 M CA 1.530 56.537 55.300 -0.489 0.000 1.123 450 M CB -1.288 31.079 32.600 -0.387 0.000 1.388 450 M HN 0.227 nan 8.290 nan 0.000 0.425 451 T N 1.516 115.919 114.554 -0.252 0.000 2.674 451 T HA -0.098 4.254 4.350 0.003 0.000 0.265 451 T C 1.996 176.587 174.700 -0.182 0.000 1.039 451 T CA 1.156 63.131 62.100 -0.209 0.000 1.150 451 T CB -0.276 68.502 68.868 -0.151 0.000 0.864 451 T HN 0.311 nan 8.240 nan 0.000 0.427 452 L N 0.293 121.401 121.223 -0.193 0.000 2.083 452 L HA -0.103 4.239 4.340 0.003 0.000 0.209 452 L C 2.826 179.581 176.870 -0.191 0.000 1.083 452 L CA 0.855 55.598 54.840 -0.162 0.000 0.752 452 L CB -0.590 41.382 42.059 -0.145 0.000 0.899 452 L HN 0.403 nan 8.230 nan 0.000 0.433 453 C N -0.522 118.584 119.300 -0.323 0.000 2.457 453 C HA -0.027 4.435 4.460 0.003 0.000 0.278 453 C C 3.101 177.978 174.990 -0.189 0.000 1.309 453 C CA 0.576 59.398 59.018 -0.325 0.000 1.735 453 C CB -0.860 26.549 27.740 -0.552 0.000 1.992 453 C HN 0.599 nan 8.230 nan 0.000 0.493 454 A N -0.010 122.727 122.820 -0.138 0.000 1.930 454 A HA -0.059 4.263 4.320 0.003 0.000 0.217 454 A C 1.893 179.509 177.584 0.054 0.000 1.175 454 A CA 1.401 53.446 52.037 0.014 0.000 0.627 454 A CB -0.435 18.640 19.000 0.124 0.000 0.815 454 A HN 0.458 nan 8.150 nan 0.000 0.443 455 L N 0.080 121.312 121.223 0.014 0.000 2.313 455 L HA -0.047 4.295 4.340 0.003 0.000 0.214 455 L C 2.734 179.611 176.870 0.012 0.000 1.119 455 L CA 2.181 57.046 54.840 0.041 0.000 0.809 455 L CB -0.475 41.602 42.059 0.030 0.000 0.933 455 L HN 0.652 nan 8.230 nan 0.000 0.449 456 T N -5.257 109.282 114.554 -0.026 0.000 2.953 456 T HA -0.012 4.340 4.350 0.003 0.000 0.247 456 T C 1.688 176.353 174.700 -0.057 0.000 1.029 456 T CA 0.404 62.489 62.100 -0.025 0.000 1.144 456 T CB -0.053 68.804 68.868 -0.018 0.000 0.870 456 T HN -0.025 nan 8.240 nan 0.000 0.446 457 M N 0.828 120.370 119.600 -0.096 0.000 2.486 457 M HA 0.323 4.805 4.480 0.003 0.000 0.264 457 M C 0.659 176.915 176.300 -0.074 0.000 1.125 457 M CA 0.810 56.037 55.300 -0.121 0.000 1.144 457 M CB -0.385 32.117 32.600 -0.164 0.000 1.353 457 M HN 0.173 nan 8.290 nan 0.000 0.466 458 K N 1.469 121.846 120.400 -0.039 0.000 3.022 458 K HA 0.328 4.650 4.320 0.003 0.000 0.178 458 K C -2.567 174.036 176.600 0.005 0.000 1.089 458 K CA -1.236 55.038 56.287 -0.022 0.000 0.916 458 K CB 1.157 33.647 32.500 -0.017 0.000 1.159 458 K HN 0.065 nan 8.250 nan 0.000 0.592 459 P HA 0.030 nan 4.420 nan 0.000 0.271 459 P C 0.792 178.095 177.300 0.005 0.000 1.216 459 P CA 0.851 63.964 63.100 0.021 0.000 0.771 459 P CB 1.098 32.808 31.700 0.016 0.000 0.864 460 G N 1.945 110.754 108.800 0.015 0.000 2.234 460 G HA2 -0.300 3.662 3.960 0.003 0.000 0.235 460 G HA3 -0.300 3.662 3.960 0.003 0.000 0.235 460 G C 0.590 175.453 174.900 -0.062 0.000 0.997 460 G CA 0.256 45.349 45.100 -0.013 0.000 0.623 460 G HN 0.532 nan 8.290 nan 0.000 0.514 461 L N 0.187 121.348 121.223 -0.104 0.000 2.005 461 L HA 0.492 4.834 4.340 0.003 0.000 0.207 461 L C 1.181 177.791 176.870 -0.435 0.000 1.072 461 L CA 1.603 56.260 54.840 -0.305 0.000 0.744 461 L CB -0.380 41.430 42.059 -0.416 0.000 0.895 461 L HN 0.251 nan 8.230 nan 0.000 0.433 462 F N -1.127 118.818 119.950 -0.009 0.000 2.440 462 F HA 0.294 4.823 4.527 0.004 0.000 0.328 462 F C 1.518 177.300 175.800 -0.029 0.000 1.070 462 F CA -0.501 57.487 58.000 -0.019 0.000 1.011 462 F CB 0.953 39.971 39.000 0.030 0.000 1.226 462 F HN -0.252 nan 8.300 nan 0.000 0.491 463 K N 0.856 121.318 120.400 0.104 0.000 2.076 463 K HA 0.386 4.708 4.320 0.003 0.000 0.204 463 K C -0.006 176.712 176.600 0.196 0.000 1.051 463 K CA 0.971 57.276 56.287 0.031 0.000 0.949 463 K CB 0.212 32.577 32.500 -0.226 0.000 0.726 463 K HN 0.730 nan 8.250 nan 0.000 0.443 464 A N -0.702 122.325 122.820 0.346 0.000 2.599 464 A HA 0.642 4.964 4.320 0.003 0.000 0.290 464 A C -1.146 176.670 177.584 0.388 0.000 1.101 464 A CA -0.439 51.855 52.037 0.428 0.000 0.674 464 A CB 1.510 20.818 19.000 0.513 0.000 1.277 464 A HN 0.212 nan 8.150 nan 0.000 0.419 465 G N -0.727 108.260 108.800 0.312 0.000 2.638 465 G HA2 0.620 4.582 3.960 0.003 0.000 0.302 465 G HA3 0.620 4.582 3.960 0.003 0.000 0.302 465 G C -1.622 173.294 174.900 0.026 0.000 1.365 465 G CA -0.449 44.715 45.100 0.107 0.000 0.987 465 G HN 1.159 nan 8.290 nan 0.000 0.495 466 V N 0.795 120.686 119.914 -0.038 0.000 2.448 466 V HA 0.773 4.895 4.120 0.003 0.000 0.295 466 V C 0.163 176.212 176.094 -0.075 0.000 1.025 466 V CA -0.696 61.535 62.300 -0.114 0.000 0.859 466 V CB 1.423 33.195 31.823 -0.084 0.000 0.988 466 V HN 1.187 nan 8.190 nan 0.000 0.431 467 A N 3.661 126.436 122.820 -0.075 0.000 2.340 467 A HA 0.845 5.167 4.320 0.003 0.000 0.297 467 A C 0.101 177.684 177.584 -0.001 0.000 1.195 467 A CA -0.144 51.869 52.037 -0.040 0.000 0.769 467 A CB 1.116 20.080 19.000 -0.060 0.000 1.163 467 A HN 1.027 nan 8.150 nan 0.000 0.472 468 G N 0.746 109.564 108.800 0.030 0.000 2.420 468 G HA2 0.658 4.620 3.960 0.003 0.000 0.331 468 G HA3 0.658 4.620 3.960 0.003 0.000 0.331 468 G C 0.663 175.407 174.900 -0.260 0.000 1.168 468 G CA 0.012 45.136 45.100 0.040 0.000 0.936 468 G HN 2.269 nan 8.290 nan 0.000 0.479 469 A N 0.571 123.136 122.820 -0.423 0.000 2.409 469 A HA -0.003 4.319 4.320 0.003 0.000 0.290 469 A C 1.179 178.537 177.584 -0.376 0.000 1.440 469 A CA 1.086 52.660 52.037 -0.772 0.000 0.775 469 A CB -1.930 16.368 19.000 -1.170 0.000 1.069 469 A HN 2.208 nan 8.150 nan 0.000 0.389 470 S N -1.030 114.628 115.700 -0.069 0.000 2.616 470 S HA 0.675 5.147 4.470 0.003 0.000 0.277 470 S C 0.066 174.641 174.600 -0.041 0.000 1.234 470 S CA -0.363 57.810 58.200 -0.045 0.000 1.028 470 S CB 1.854 65.039 63.200 -0.025 0.000 0.988 470 S HN 1.111 nan 8.310 nan 0.000 0.522 471 V N 3.130 122.955 119.914 -0.148 0.000 2.530 471 V HA 0.198 4.320 4.120 0.003 0.000 0.282 471 V C 0.773 176.714 176.094 -0.254 0.000 1.048 471 V CA -0.196 61.897 62.300 -0.345 0.000 0.997 471 V CB 0.876 32.207 31.823 -0.819 0.000 0.987 471 V HN 0.929 nan 8.190 nan 0.000 0.477 472 V N 2.137 121.890 119.914 -0.268 0.000 2.996 472 V HA 0.301 4.423 4.120 0.003 0.000 0.235 472 V C 0.102 176.075 176.094 -0.202 0.000 1.205 472 V CA 0.308 62.500 62.300 -0.180 0.000 1.225 472 V CB 0.472 32.206 31.823 -0.149 0.000 0.995 472 V HN 0.847 nan 8.190 nan 0.000 0.484 473 D N -1.756 118.504 120.400 -0.234 0.000 2.788 473 D HA 0.281 4.923 4.640 0.003 0.000 0.247 473 D C 0.049 176.266 176.300 -0.138 0.000 1.236 473 D CA -0.618 53.292 54.000 -0.151 0.000 0.898 473 D CB 1.369 42.134 40.800 -0.059 0.000 1.401 473 D HN 0.123 nan 8.370 nan 0.000 0.549 474 W N 2.129 123.426 121.300 -0.005 0.000 2.358 474 W HA -0.062 4.600 4.660 0.004 0.000 0.303 474 W C 1.955 178.499 176.519 0.043 0.000 1.208 474 W CA 0.350 57.697 57.345 0.005 0.000 1.274 474 W CB 0.106 29.561 29.460 -0.009 0.000 1.138 474 W HN 0.497 nan 8.180 nan 0.000 0.515 475 E N 0.323 120.666 120.200 0.239 0.000 2.017 475 E HA -0.276 4.076 4.350 0.003 0.000 0.193 475 E C 1.902 178.591 176.600 0.149 0.000 0.997 475 E CA 1.637 58.126 56.400 0.147 0.000 0.804 475 E CB -0.519 29.230 29.700 0.082 0.000 0.757 475 E HN 0.425 nan 8.360 nan 0.000 0.448 476 E N 0.761 121.017 120.200 0.093 0.000 2.106 476 E HA -0.176 4.176 4.350 0.003 0.000 0.192 476 E C 2.180 178.828 176.600 0.080 0.000 0.984 476 E CA 0.668 57.108 56.400 0.067 0.000 0.806 476 E CB -0.045 29.664 29.700 0.015 0.000 0.750 476 E HN 0.145 nan 8.360 nan 0.000 0.458 477 M N -0.227 119.421 119.600 0.081 0.000 2.108 477 M HA -0.229 4.253 4.480 0.003 0.000 0.261 477 M C 2.035 178.419 176.300 0.140 0.000 1.066 477 M CA 1.642 56.984 55.300 0.070 0.000 1.107 477 M CB -0.247 32.378 32.600 0.041 0.000 1.356 477 M HN 0.261 nan 8.290 nan 0.000 0.406 478 Y N 0.871 121.232 120.300 0.101 0.000 2.224 478 Y HA -0.244 4.308 4.550 0.003 0.000 0.289 478 Y C 2.185 178.128 175.900 0.072 0.000 1.146 478 Y CA 2.286 60.453 58.100 0.112 0.000 1.182 478 Y CB -0.237 38.294 38.460 0.119 0.000 0.983 478 Y HN 0.388 nan 8.280 nan 0.000 0.524 479 E N -0.089 120.246 120.200 0.225 0.000 2.110 479 E HA -0.186 4.166 4.350 0.003 0.000 0.193 479 E C 1.623 178.239 176.600 0.027 0.000 0.988 479 E CA 1.407 57.880 56.400 0.123 0.000 0.804 479 E CB -0.201 29.563 29.700 0.108 0.000 0.745 479 E HN 0.535 nan 8.360 nan 0.000 0.458 480 L N 0.263 121.495 121.223 0.014 0.000 2.607 480 L HA 0.147 4.489 4.340 0.003 0.000 0.228 480 L C 0.595 177.442 176.870 -0.038 0.000 1.123 480 L CA -0.360 54.472 54.840 -0.014 0.000 0.890 480 L CB 0.628 42.677 42.059 -0.017 0.000 1.103 480 L HN -0.135 nan 8.230 nan 0.000 0.468 481 S N 0.242 115.908 115.700 -0.056 0.000 2.585 481 S HA 0.204 4.676 4.470 0.003 0.000 0.277 481 S C -0.211 174.362 174.600 -0.044 0.000 1.241 481 S CA -0.880 57.294 58.200 -0.044 0.000 1.041 481 S CB 1.255 64.446 63.200 -0.016 0.000 0.987 481 S HN 0.289 nan 8.310 nan 0.000 0.512 482 D N 1.336 121.757 120.400 0.034 0.000 2.414 482 D HA 0.336 4.978 4.640 0.003 0.000 0.259 482 D C 1.229 177.504 176.300 -0.041 0.000 1.269 482 D CA -0.266 53.741 54.000 0.011 0.000 1.028 482 D CB 0.074 40.908 40.800 0.057 0.000 1.093 482 D HN 0.374 nan 8.370 nan 0.000 0.545 483 A N -0.102 122.670 122.820 -0.079 0.000 1.940 483 A HA -0.006 4.316 4.320 0.003 0.000 0.219 483 A C 2.196 179.656 177.584 -0.207 0.000 1.176 483 A CA 2.658 54.618 52.037 -0.128 0.000 0.631 483 A CB -1.323 17.607 19.000 -0.117 0.000 0.814 483 A HN 0.703 nan 8.150 nan 0.000 0.446 484 A N -1.508 121.113 122.820 -0.332 0.000 1.898 484 A HA 0.049 4.371 4.320 0.003 0.000 0.216 484 A C 1.968 179.118 177.584 -0.724 0.000 1.181 484 A CA 1.417 52.966 52.037 -0.814 0.000 0.620 484 A CB -0.615 17.598 19.000 -1.312 0.000 0.819 484 A HN 0.491 nan 8.150 nan 0.000 0.442 485 F N -0.634 119.174 119.950 -0.237 0.000 2.416 485 F HA 0.059 4.588 4.527 0.003 0.000 0.296 485 F C 2.540 178.391 175.800 0.086 0.000 1.099 485 F CA 0.701 58.747 58.000 0.076 0.000 1.427 485 F CB -0.035 39.030 39.000 0.107 0.000 1.079 485 F HN 0.067 nan 8.300 nan 0.000 0.536 486 R N 0.258 120.788 120.500 0.049 0.000 2.083 486 R HA -0.215 4.127 4.340 0.003 0.000 0.237 486 R C 2.152 178.532 176.300 0.133 0.000 1.137 486 R CA 1.598 57.594 56.100 -0.173 0.000 0.951 486 R CB -0.760 29.241 30.300 -0.498 0.000 0.851 486 R HN 0.319 nan 8.270 nan 0.000 0.434 487 N N 0.344 119.099 118.700 0.093 0.000 2.120 487 N HA -0.193 4.549 4.740 0.003 0.000 0.188 487 N C 1.694 177.373 175.510 0.282 0.000 1.024 487 N CA 1.146 54.291 53.050 0.159 0.000 0.852 487 N CB -0.075 38.460 38.487 0.081 0.000 1.003 487 N HN 0.077 nan 8.380 nan 0.000 0.424 488 F N 1.684 121.738 119.950 0.173 0.000 2.234 488 F HA 0.063 4.592 4.527 0.003 0.000 0.299 488 F C 2.181 178.114 175.800 0.222 0.000 1.087 488 F CA 0.624 58.782 58.000 0.264 0.000 1.340 488 F CB -0.232 39.003 39.000 0.392 0.000 1.031 488 F HN 0.007 nan 8.300 nan 0.000 0.500 489 I N -0.117 120.623 120.570 0.283 0.000 2.315 489 I HA -0.252 3.920 4.170 0.003 0.000 0.248 489 I C 2.158 178.271 176.117 -0.007 0.000 1.117 489 I CA 1.266 62.656 61.300 0.149 0.000 1.404 489 I CB -0.399 37.851 38.000 0.416 0.000 1.071 489 I HN 0.115 nan 8.210 nan 0.000 0.419 490 E N 0.399 120.668 120.200 0.116 0.000 2.085 490 E HA -0.270 4.082 4.350 0.003 0.000 0.194 490 E C 2.209 178.790 176.600 -0.031 0.000 0.994 490 E CA 1.173 57.599 56.400 0.043 0.000 0.801 490 E CB -0.077 29.695 29.700 0.120 0.000 0.743 490 E HN 0.565 nan 8.360 nan 0.000 0.453 491 Q N 0.304 120.095 119.800 -0.016 0.000 2.046 491 Q HA -0.119 4.223 4.340 0.003 0.000 0.200 491 Q C 2.435 178.365 176.000 -0.118 0.000 0.975 491 Q CA 0.998 56.791 55.803 -0.017 0.000 0.836 491 Q CB -0.131 28.647 28.738 0.067 0.000 0.896 491 Q HN 0.334 nan 8.270 nan 0.000 0.428 492 L N 0.579 121.632 121.223 -0.284 0.000 2.141 492 L HA -0.104 4.238 4.340 0.003 0.000 0.209 492 L C 2.415 179.087 176.870 -0.330 0.000 1.094 492 L CA 1.493 56.127 54.840 -0.343 0.000 0.763 492 L CB -0.453 41.282 42.059 -0.539 0.000 0.908 492 L HN 0.367 nan 8.230 nan 0.000 0.437 493 T N -4.345 109.976 114.554 -0.388 0.000 3.086 493 T HA 0.241 4.593 4.350 0.003 0.000 0.250 493 T C 1.470 176.044 174.700 -0.209 0.000 1.074 493 T CA 0.395 62.262 62.100 -0.388 0.000 0.988 493 T CB 0.590 69.137 68.868 -0.535 0.000 0.988 493 T HN 0.429 nan 8.240 nan 0.000 0.530 494 G N 1.024 109.739 108.800 -0.142 0.000 2.189 494 G HA2 -0.004 3.958 3.960 0.003 0.000 0.267 494 G HA3 -0.004 3.958 3.960 0.003 0.000 0.267 494 G C 1.189 176.046 174.900 -0.073 0.000 0.975 494 G CA 0.508 45.560 45.100 -0.080 0.000 0.644 494 G HN 1.788 nan 8.290 nan 0.000 0.537 495 G N -1.596 107.144 108.800 -0.101 0.000 2.179 495 G HA2 0.061 4.023 3.960 0.003 0.000 0.260 495 G HA3 0.061 4.023 3.960 0.003 0.000 0.260 495 G C 0.698 175.537 174.900 -0.102 0.000 0.977 495 G CA 1.424 46.470 45.100 -0.090 0.000 0.641 495 G HN 2.447 nan 8.290 nan 0.000 0.533 496 S N -0.068 115.572 115.700 -0.100 0.000 2.537 496 S HA 0.682 5.154 4.470 0.003 0.000 0.275 496 S C 1.343 175.886 174.600 -0.094 0.000 1.272 496 S CA -0.472 57.678 58.200 -0.082 0.000 1.050 496 S CB 1.931 65.095 63.200 -0.059 0.000 0.961 496 S HN 0.220 nan 8.310 nan 0.000 0.496 497 R N 1.275 121.727 120.500 -0.079 0.000 2.189 497 R HA -0.012 4.330 4.340 0.003 0.000 0.218 497 R C 2.010 178.290 176.300 -0.033 0.000 1.074 497 R CA 0.777 56.837 56.100 -0.067 0.000 0.991 497 R CB -0.500 29.764 30.300 -0.060 0.000 0.883 497 R HN 0.848 nan 8.270 nan 0.000 0.457 498 E N 0.915 121.099 120.200 -0.027 0.000 2.077 498 E HA -0.144 4.208 4.350 0.003 0.000 0.193 498 E C 1.802 178.405 176.600 0.005 0.000 0.989 498 E CA 0.855 57.251 56.400 -0.006 0.000 0.800 498 E CB 0.153 29.849 29.700 -0.006 0.000 0.746 498 E HN 0.112 nan 8.360 nan 0.000 0.452 499 I N 0.744 121.299 120.570 -0.024 0.000 2.353 499 I HA -0.205 3.967 4.170 0.003 0.000 0.248 499 I C 2.535 178.641 176.117 -0.018 0.000 1.119 499 I CA 0.841 62.122 61.300 -0.032 0.000 1.417 499 I CB -0.828 37.116 38.000 -0.092 0.000 1.078 499 I HN 0.198 nan 8.210 nan 0.000 0.421 500 M N -0.343 119.231 119.600 -0.044 0.000 2.213 500 M HA -0.224 4.258 4.480 0.003 0.000 0.263 500 M C 2.378 178.800 176.300 0.203 0.000 1.062 500 M CA 1.619 56.947 55.300 0.047 0.000 1.105 500 M CB -0.340 32.266 32.600 0.010 0.000 1.385 500 M HN 0.126 nan 8.290 nan 0.000 0.417 501 R N 0.250 120.819 120.500 0.114 0.000 2.057 501 R HA -0.076 4.266 4.340 0.003 0.000 0.224 501 R C 2.396 178.781 176.300 0.141 0.000 1.136 501 R CA 1.791 57.953 56.100 0.104 0.000 0.968 501 R CB -0.265 30.062 30.300 0.045 0.000 0.863 501 R HN 0.319 nan 8.270 nan 0.000 0.433 502 S N -0.005 115.782 115.700 0.144 0.000 2.423 502 S HA -0.019 4.453 4.470 0.003 0.000 0.231 502 S C 1.377 176.150 174.600 0.288 0.000 1.014 502 S CA 0.457 58.783 58.200 0.210 0.000 0.965 502 S CB -0.002 63.280 63.200 0.137 0.000 0.785 502 S HN 0.263 nan 8.310 nan 0.000 0.495 503 R N 1.450 122.116 120.500 0.276 0.000 2.466 503 R HA 0.410 4.752 4.340 0.003 0.000 0.279 503 R C -0.365 176.227 176.300 0.488 0.000 0.976 503 R CA -0.024 56.281 56.100 0.341 0.000 1.081 503 R CB -0.320 30.181 30.300 0.334 0.000 1.215 503 R HN 0.297 nan 8.270 nan 0.000 0.546 504 S N 2.170 118.101 115.700 0.386 0.000 2.429 504 S HA 0.260 4.732 4.470 0.003 0.000 0.302 504 S C -1.738 172.985 174.600 0.206 0.000 1.115 504 S CA -1.243 57.106 58.200 0.248 0.000 1.095 504 S CB 1.981 65.277 63.200 0.160 0.000 0.987 504 S HN -0.043 nan 8.310 nan 0.000 0.474 505 P HA -0.074 nan 4.420 nan 0.000 0.221 505 P C 1.273 178.597 177.300 0.040 0.000 1.145 505 P CA 0.375 63.523 63.100 0.081 0.000 0.795 505 P CB 0.072 31.759 31.700 -0.022 0.000 0.775 506 I N -0.262 120.303 120.570 -0.009 0.000 2.567 506 I HA -0.154 4.018 4.170 0.003 0.000 0.257 506 I C 1.135 177.207 176.117 -0.076 0.000 1.184 506 I CA 1.482 62.750 61.300 -0.054 0.000 1.451 506 I CB -0.541 37.419 38.000 -0.067 0.000 1.089 506 I HN -0.121 nan 8.210 nan 0.000 0.441 507 N N -0.403 118.234 118.700 -0.106 0.000 2.336 507 N HA 0.041 4.783 4.740 0.003 0.000 0.189 507 N C 0.302 175.508 175.510 -0.505 0.000 1.113 507 N CA 0.457 53.337 53.050 -0.283 0.000 0.858 507 N CB -0.045 38.245 38.487 -0.328 0.000 0.970 507 N HN 0.511 nan 8.380 nan 0.000 0.471 508 H N -0.649 118.408 119.070 -0.022 0.000 2.665 508 H HA 0.228 4.786 4.556 0.003 0.000 0.248 508 H C 1.212 176.522 175.328 -0.030 0.000 1.175 508 H CA -0.078 55.957 56.048 -0.022 0.000 0.952 508 H CB 0.501 30.251 29.762 -0.021 0.000 1.883 508 H HN -0.095 nan 8.280 nan 0.000 0.623 509 V N 1.118 121.045 119.914 0.023 0.000 2.626 509 V HA -0.211 3.911 4.120 0.003 0.000 0.252 509 V C 2.271 178.368 176.094 0.006 0.000 1.067 509 V CA 2.010 64.308 62.300 -0.004 0.000 1.081 509 V CB -0.191 31.602 31.823 -0.049 0.000 0.686 509 V HN 0.525 nan 8.190 nan 0.000 0.468 510 D N 0.555 120.962 120.400 0.011 0.000 2.263 510 D HA -0.181 4.461 4.640 0.003 0.000 0.208 510 D C 2.002 178.319 176.300 0.028 0.000 0.971 510 D CA 0.885 54.894 54.000 0.016 0.000 0.867 510 D CB -0.346 40.461 40.800 0.012 0.000 0.929 510 D HN 0.353 nan 8.370 nan 0.000 0.492 511 R N -0.339 120.186 120.500 0.042 0.000 2.297 511 R HA 0.308 4.650 4.340 0.003 0.000 0.197 511 R C 1.110 177.428 176.300 0.029 0.000 0.943 511 R CA -0.225 55.897 56.100 0.037 0.000 1.038 511 R CB -0.718 29.608 30.300 0.042 0.000 0.957 511 R HN 0.380 nan 8.270 nan 0.000 0.484 512 I N 1.748 122.335 120.570 0.029 0.000 2.496 512 I HA 0.114 4.286 4.170 0.003 0.000 0.285 512 I C 1.138 177.281 176.117 0.044 0.000 1.080 512 I CA 0.413 61.733 61.300 0.034 0.000 1.404 512 I CB 0.949 38.965 38.000 0.027 0.000 1.403 512 I HN -0.029 nan 8.210 nan 0.000 0.539 513 K N 4.164 124.596 120.400 0.053 0.000 2.491 513 K HA 0.269 4.591 4.320 0.003 0.000 0.211 513 K C -0.120 176.527 176.600 0.077 0.000 1.210 513 K CA 0.072 56.394 56.287 0.058 0.000 1.003 513 K CB 0.754 33.281 32.500 0.045 0.000 1.009 513 K HN 0.506 nan 8.250 nan 0.000 0.577 514 E N 1.587 121.845 120.200 0.096 0.000 2.212 514 E HA 0.298 4.650 4.350 0.003 0.000 0.270 514 E C -2.677 174.021 176.600 0.164 0.000 0.956 514 E CA -2.241 54.236 56.400 0.129 0.000 0.825 514 E CB 1.020 30.808 29.700 0.147 0.000 1.167 514 E HN -0.187 nan 8.360 nan 0.000 0.400 515 P HA -0.035 nan 4.420 nan 0.000 0.264 515 P C -1.221 176.277 177.300 0.329 0.000 1.183 515 P CA 0.054 63.329 63.100 0.291 0.000 0.763 515 P CB 0.320 32.227 31.700 0.345 0.000 0.807 516 L N 2.931 124.301 121.223 0.244 0.000 2.410 516 L HA 0.730 5.072 4.340 0.003 0.000 0.270 516 L C -1.036 175.758 176.870 -0.126 0.000 0.983 516 L CA -0.791 54.093 54.840 0.074 0.000 0.822 516 L CB 1.771 43.870 42.059 0.065 0.000 1.285 516 L HN 0.401 nan 8.230 nan 0.000 0.409 517 A N 6.039 128.569 122.820 -0.483 0.000 2.303 517 A HA 0.772 5.094 4.320 0.003 0.000 0.320 517 A C -1.236 176.212 177.584 -0.226 0.000 1.192 517 A CA -0.495 51.203 52.037 -0.565 0.000 0.821 517 A CB 0.538 18.777 19.000 -1.267 0.000 1.188 517 A HN 0.699 nan 8.150 nan 0.000 0.492 518 L N 3.088 124.271 121.223 -0.067 0.000 2.307 518 L HA 0.617 4.959 4.340 0.003 0.000 0.284 518 L C -0.755 176.154 176.870 0.066 0.000 1.023 518 L CA -0.303 54.539 54.840 0.002 0.000 0.810 518 L CB 1.483 43.555 42.059 0.022 0.000 1.231 518 L HN 0.586 nan 8.230 nan 0.000 0.423 519 I N 2.022 122.645 120.570 0.087 0.000 2.533 519 I HA 0.411 4.582 4.170 0.003 0.000 0.290 519 I C -1.072 175.138 176.117 0.155 0.000 1.056 519 I CA -0.462 60.913 61.300 0.126 0.000 1.057 519 I CB 2.101 40.144 38.000 0.072 0.000 1.240 519 I HN 0.556 nan 8.210 nan 0.000 0.423 520 H N 5.800 124.897 119.070 0.046 0.000 3.099 520 H HA 0.370 4.927 4.556 0.003 0.000 0.342 520 H C -2.811 172.539 175.328 0.037 0.000 1.054 520 H CA -1.260 54.803 56.048 0.024 0.000 1.328 520 H CB 2.800 32.559 29.762 -0.006 0.000 1.876 520 H HN 0.219 nan 8.280 nan 0.000 0.495 521 P HA 0.016 nan 4.420 nan 0.000 0.271 521 P C 0.224 177.604 177.300 0.133 0.000 1.220 521 P CA -0.175 62.961 63.100 0.061 0.000 0.768 521 P CB 0.962 32.673 31.700 0.020 0.000 0.848 522 Q N 2.704 122.568 119.800 0.106 0.000 2.167 522 Q HA -0.130 4.212 4.340 0.003 0.000 0.202 522 Q C 0.435 176.483 176.000 0.080 0.000 0.970 522 Q CA 1.498 57.360 55.803 0.097 0.000 0.855 522 Q CB -0.488 28.284 28.738 0.056 0.000 0.911 522 Q HN 0.263 nan 8.270 nan 0.000 0.438 523 N N 1.326 120.061 118.700 0.060 0.000 2.320 523 N HA 0.064 4.806 4.740 0.003 0.000 0.237 523 N C -0.953 174.581 175.510 0.040 0.000 1.129 523 N CA 0.017 53.091 53.050 0.039 0.000 0.854 523 N CB 0.254 38.754 38.487 0.022 0.000 1.083 523 N HN 0.283 nan 8.380 nan 0.000 0.504 524 D N 0.768 121.206 120.400 0.064 0.000 2.450 524 D HA -0.000 4.642 4.640 0.003 0.000 0.247 524 D C 0.894 177.197 176.300 0.004 0.000 1.162 524 D CA 0.352 54.384 54.000 0.053 0.000 0.879 524 D CB 0.829 41.659 40.800 0.051 0.000 1.163 524 D HN 0.208 nan 8.370 nan 0.000 0.472 525 S N 3.275 118.949 115.700 -0.043 0.000 2.540 525 S HA 0.135 4.607 4.470 0.003 0.000 0.218 525 S C 1.372 175.788 174.600 -0.307 0.000 0.977 525 S CA -0.345 57.790 58.200 -0.107 0.000 0.918 525 S CB 0.551 63.721 63.200 -0.050 0.000 0.806 525 S HN 0.425 nan 8.310 nan 0.000 0.496 526 R N 1.914 122.160 120.500 -0.423 0.000 2.062 526 R HA 0.120 4.462 4.340 0.003 0.000 0.218 526 R C 0.258 176.233 176.300 -0.542 0.000 1.161 526 R CA 1.303 56.876 56.100 -0.878 0.000 0.994 526 R CB -0.648 29.127 30.300 -0.876 0.000 0.888 526 R HN 0.489 nan 8.270 nan 0.000 0.442 527 T N 1.717 116.102 114.554 -0.282 0.000 3.042 527 T HA 0.354 4.706 4.350 0.003 0.000 0.356 527 T C -2.551 172.195 174.700 0.077 0.000 1.233 527 T CA -2.167 59.872 62.100 -0.101 0.000 1.038 527 T CB 1.486 70.325 68.868 -0.050 0.000 1.089 527 T HN -0.047 nan 8.240 nan 0.000 0.531 528 P HA 0.157 nan 4.420 nan 0.000 0.274 528 P C 0.808 178.136 177.300 0.048 0.000 1.237 528 P CA -0.771 62.362 63.100 0.054 0.000 0.793 528 P CB 1.162 32.846 31.700 -0.027 0.000 0.977 529 L N 2.138 123.364 121.223 0.006 0.000 2.217 529 L HA -0.048 4.294 4.340 0.003 0.000 0.211 529 L C 2.417 179.163 176.870 -0.206 0.000 1.107 529 L CA 1.756 56.468 54.840 -0.213 0.000 0.783 529 L CB -1.027 41.001 42.059 -0.052 0.000 0.919 529 L HN 0.327 nan 8.230 nan 0.000 0.442 530 K N 0.164 120.498 120.400 -0.111 0.000 2.009 530 K HA -0.126 4.196 4.320 0.003 0.000 0.210 530 K C -0.583 175.950 176.600 -0.112 0.000 1.049 530 K CA 1.923 58.155 56.287 -0.091 0.000 0.929 530 K CB -1.035 31.432 32.500 -0.055 0.000 0.714 530 K HN 0.316 nan 8.250 nan 0.000 0.440 531 P HA -0.158 nan 4.420 nan 0.000 0.220 531 P C 1.425 178.628 177.300 -0.160 0.000 1.148 531 P CA 0.951 63.980 63.100 -0.118 0.000 0.803 531 P CB 0.027 31.664 31.700 -0.106 0.000 0.782 532 L N -0.599 120.486 121.223 -0.230 0.000 2.093 532 L HA -0.076 4.266 4.340 0.003 0.000 0.208 532 L C 2.544 179.287 176.870 -0.212 0.000 1.085 532 L CA 1.384 56.061 54.840 -0.271 0.000 0.755 532 L CB -1.054 40.715 42.059 -0.483 0.000 0.904 532 L HN -0.192 nan 8.230 nan 0.000 0.435 533 L N -0.990 120.128 121.223 -0.175 0.000 2.083 533 L HA -0.210 4.132 4.340 0.003 0.000 0.209 533 L C 2.752 179.555 176.870 -0.113 0.000 1.083 533 L CA 1.148 55.917 54.840 -0.119 0.000 0.752 533 L CB -0.605 41.403 42.059 -0.086 0.000 0.899 533 L HN 0.279 nan 8.230 nan 0.000 0.433 534 R N 0.107 120.539 120.500 -0.115 0.000 2.092 534 R HA -0.166 4.176 4.340 0.003 0.000 0.231 534 R C 2.280 178.499 176.300 -0.135 0.000 1.119 534 R CA 1.151 57.189 56.100 -0.104 0.000 0.970 534 R CB -0.220 30.028 30.300 -0.087 0.000 0.864 534 R HN 0.194 nan 8.270 nan 0.000 0.440 535 L N 0.962 122.085 121.223 -0.167 0.000 2.046 535 L HA -0.157 4.185 4.340 0.003 0.000 0.208 535 L C 2.135 178.817 176.870 -0.315 0.000 1.077 535 L CA 1.731 56.445 54.840 -0.211 0.000 0.747 535 L CB -0.334 41.599 42.059 -0.211 0.000 0.896 535 L HN 0.178 nan 8.230 nan 0.000 0.432 536 M N -1.117 118.280 119.600 -0.337 0.000 2.159 536 M HA -0.139 4.343 4.480 0.003 0.000 0.263 536 M C 2.138 178.265 176.300 -0.289 0.000 1.063 536 M CA 1.691 56.701 55.300 -0.483 0.000 1.110 536 M CB -1.040 31.445 32.600 -0.190 0.000 1.374 536 M HN 0.474 nan 8.290 nan 0.000 0.411 537 G N -0.131 108.578 108.800 -0.152 0.000 2.422 537 G HA2 -0.189 3.773 3.960 0.003 0.000 0.218 537 G HA3 -0.189 3.773 3.960 0.003 0.000 0.218 537 G C 1.486 176.332 174.900 -0.090 0.000 1.146 537 G CA 0.673 45.725 45.100 -0.081 0.000 0.769 537 G HN 0.364 nan 8.290 nan 0.000 0.547 538 E N 0.239 120.358 120.200 -0.134 0.000 2.072 538 E HA 0.019 4.371 4.350 0.003 0.000 0.190 538 E C 2.748 179.277 176.600 -0.119 0.000 0.982 538 E CA 0.336 56.669 56.400 -0.112 0.000 0.803 538 E CB -0.260 29.369 29.700 -0.118 0.000 0.755 538 E HN 0.421 nan 8.360 nan 0.000 0.453 539 L N 0.668 121.753 121.223 -0.229 0.000 2.046 539 L HA -0.210 4.132 4.340 0.003 0.000 0.208 539 L C 2.618 179.487 176.870 -0.001 0.000 1.077 539 L CA 0.690 55.400 54.840 -0.216 0.000 0.747 539 L CB -0.502 41.168 42.059 -0.650 0.000 0.896 539 L HN 0.142 nan 8.230 nan 0.000 0.432 540 L N 0.313 121.567 121.223 0.051 0.000 1.989 540 L HA -0.164 4.178 4.340 0.003 0.000 0.211 540 L C 2.555 179.476 176.870 0.084 0.000 1.071 540 L CA 2.167 57.119 54.840 0.187 0.000 0.749 540 L CB -0.806 41.362 42.059 0.182 0.000 0.890 540 L HN 0.149 nan 8.230 nan 0.000 0.431 541 A N -0.809 122.030 122.820 0.031 0.000 2.067 541 A HA -0.114 4.208 4.320 0.003 0.000 0.219 541 A C 2.153 179.746 177.584 0.016 0.000 1.158 541 A CA 1.360 53.408 52.037 0.017 0.000 0.661 541 A CB -0.487 18.511 19.000 -0.003 0.000 0.801 541 A HN 0.564 nan 8.150 nan 0.000 0.452 542 R N -1.521 118.989 120.500 0.017 0.000 2.507 542 R HA 0.279 4.621 4.340 0.003 0.000 0.298 542 R C 0.983 177.305 176.300 0.036 0.000 0.999 542 R CA 0.401 56.511 56.100 0.017 0.000 1.082 542 R CB 0.160 30.461 30.300 0.002 0.000 1.246 542 R HN 0.548 nan 8.270 nan 0.000 0.553 543 G N 1.996 110.829 108.800 0.055 0.000 2.179 543 G HA2 -0.282 3.680 3.960 0.003 0.000 0.257 543 G HA3 -0.282 3.680 3.960 0.003 0.000 0.257 543 G C -0.139 174.813 174.900 0.085 0.000 1.010 543 G CA 0.211 45.350 45.100 0.065 0.000 0.736 543 G HN 0.073 nan 8.290 nan 0.000 0.513 544 K N 0.665 121.132 120.400 0.112 0.000 2.185 544 K HA 0.438 4.760 4.320 0.003 0.000 0.271 544 K C 0.588 177.320 176.600 0.220 0.000 1.013 544 K CA -0.227 56.141 56.287 0.136 0.000 0.943 544 K CB 0.741 33.301 32.500 0.101 0.000 0.998 544 K HN 0.103 nan 8.250 nan 0.000 0.468 545 T N 4.184 118.846 114.554 0.179 0.000 2.779 545 T HA 0.363 4.715 4.350 0.003 0.000 0.296 545 T C -0.093 174.773 174.700 0.278 0.000 0.938 545 T CA -0.058 62.146 62.100 0.173 0.000 1.119 545 T CB -0.526 68.422 68.868 0.132 0.000 0.891 545 T HN 0.452 nan 8.240 nan 0.000 0.526 546 F N 0.778 120.752 119.950 0.040 0.000 2.645 546 F HA 0.796 5.325 4.527 0.003 0.000 0.310 546 F C -0.895 174.905 175.800 0.001 0.000 1.102 546 F CA -1.288 56.721 58.000 0.016 0.000 0.952 546 F CB 1.671 40.659 39.000 -0.020 0.000 1.326 546 F HN 0.404 nan 8.300 nan 0.000 0.456 547 E N 1.536 121.746 120.200 0.018 0.000 2.288 547 E HA 0.808 5.160 4.350 0.003 0.000 0.268 547 E C -1.805 174.757 176.600 -0.063 0.000 0.885 547 E CA -1.303 55.023 56.400 -0.124 0.000 0.767 547 E CB 2.317 32.009 29.700 -0.013 0.000 1.220 547 E HN 1.112 nan 8.360 nan 0.000 0.427 548 A N 3.498 126.158 122.820 -0.266 0.000 2.549 548 A HA 0.588 4.910 4.320 0.003 0.000 0.297 548 A C -1.711 175.548 177.584 -0.541 0.000 1.061 548 A CA -0.645 51.274 52.037 -0.196 0.000 0.690 548 A CB 1.402 20.426 19.000 0.040 0.000 1.287 548 A HN 0.682 nan 8.150 nan 0.000 0.402 549 H N 1.871 120.957 119.070 0.028 0.000 3.108 549 H HA 0.378 4.936 4.556 0.003 0.000 0.329 549 H C -1.357 173.994 175.328 0.038 0.000 0.978 549 H CA -0.205 55.854 56.048 0.019 0.000 1.413 549 H CB 1.321 31.079 29.762 -0.008 0.000 1.670 549 H HN 0.541 nan 8.280 nan 0.000 0.512 550 I N 4.590 125.231 120.570 0.118 0.000 2.354 550 I HA 0.162 4.334 4.170 0.003 0.000 0.292 550 I C -0.141 176.027 176.117 0.086 0.000 0.989 550 I CA -0.806 60.555 61.300 0.101 0.000 1.188 550 I CB 1.312 39.351 38.000 0.065 0.000 1.342 550 I HN 0.297 nan 8.210 nan 0.000 0.457 551 I N 8.439 129.058 120.570 0.081 0.000 2.359 551 I HA 0.388 4.560 4.170 0.003 0.000 0.294 551 I C -2.153 173.991 176.117 0.045 0.000 0.987 551 I CA -3.217 58.115 61.300 0.053 0.000 1.225 551 I CB 0.639 38.664 38.000 0.042 0.000 1.366 551 I HN 0.257 nan 8.210 nan 0.000 0.466 552 P HA 0.197 nan 4.420 nan 0.000 0.281 552 P C -0.660 176.653 177.300 0.022 0.000 1.249 552 P CA -0.150 62.966 63.100 0.027 0.000 0.810 552 P CB 0.650 32.363 31.700 0.021 0.000 1.008 553 D N -1.010 119.402 120.400 0.019 0.000 2.697 553 D HA -0.124 4.518 4.640 0.003 0.000 0.235 553 D C -0.159 176.150 176.300 0.015 0.000 1.167 553 D CA 1.620 55.628 54.000 0.014 0.000 0.656 553 D CB -1.478 39.327 40.800 0.008 0.000 1.025 553 D HN 0.655 nan 8.370 nan 0.000 0.419 554 A N -0.990 121.843 122.820 0.022 0.000 2.594 554 A HA 0.856 5.178 4.320 0.003 0.000 0.295 554 A C 0.404 178.010 177.584 0.036 0.000 1.071 554 A CA -0.042 52.010 52.037 0.026 0.000 0.685 554 A CB 1.971 20.987 19.000 0.027 0.000 1.285 554 A HN 0.334 nan 8.150 nan 0.000 0.405 555 G N -1.157 107.670 108.800 0.045 0.000 3.262 555 G HA2 0.442 4.404 3.960 0.003 0.000 0.229 555 G HA3 0.442 4.404 3.960 0.003 0.000 0.229 555 G C 0.388 175.349 174.900 0.101 0.000 1.280 555 G CA 0.232 45.371 45.100 0.066 0.000 0.951 555 G HN 0.918 nan 8.290 nan 0.000 0.589 556 H N -0.404 118.690 119.070 0.040 0.000 2.421 556 H HA 0.279 4.837 4.556 0.004 0.000 0.298 556 H C 1.501 176.931 175.328 0.170 0.000 1.087 556 H CA 1.587 57.691 56.048 0.093 0.000 1.330 556 H CB 0.040 29.832 29.762 0.050 0.000 1.388 556 H HN 0.480 nan 8.280 nan 0.000 0.526 557 A N 0.511 123.454 122.820 0.204 0.000 2.256 557 A HA 0.420 4.742 4.320 0.003 0.000 0.317 557 A C -0.502 177.122 177.584 0.066 0.000 1.318 557 A CA -0.582 51.538 52.037 0.138 0.000 0.894 557 A CB -0.165 18.932 19.000 0.161 0.000 1.165 557 A HN 0.285 nan 8.150 nan 0.000 0.525 558 I N 3.082 123.670 120.570 0.030 0.000 2.529 558 I HA 0.128 4.300 4.170 0.003 0.000 0.284 558 I C 1.154 177.252 176.117 -0.032 0.000 1.082 558 I CA 0.018 61.329 61.300 0.018 0.000 1.406 558 I CB 0.796 38.820 38.000 0.040 0.000 1.405 558 I HN 0.821 nan 8.210 nan 0.000 0.548 559 N N 3.168 121.838 118.700 -0.050 0.000 2.143 559 N HA 0.049 4.791 4.740 0.003 0.000 0.229 559 N C -0.272 175.170 175.510 -0.113 0.000 1.294 559 N CA -0.242 52.715 53.050 -0.155 0.000 0.883 559 N CB 0.593 39.012 38.487 -0.113 0.000 1.148 559 N HN 0.633 nan 8.380 nan 0.000 0.511 560 T N -2.595 111.961 114.554 0.004 0.000 2.916 560 T HA 0.444 4.796 4.350 0.003 0.000 0.292 560 T C 1.038 175.844 174.700 0.177 0.000 1.064 560 T CA -0.771 61.373 62.100 0.072 0.000 1.011 560 T CB 2.087 70.976 68.868 0.036 0.000 1.152 560 T HN 0.019 nan 8.240 nan 0.000 0.510 561 M N 0.379 120.090 119.600 0.185 0.000 2.447 561 M HA 0.206 4.688 4.480 0.003 0.000 0.264 561 M C 1.590 177.914 176.300 0.040 0.000 1.095 561 M CA 1.241 56.618 55.300 0.129 0.000 1.125 561 M CB -0.436 32.209 32.600 0.075 0.000 1.389 561 M HN 0.591 nan 8.290 nan 0.000 0.459 562 E N 1.056 121.275 120.200 0.032 0.000 2.072 562 E HA -0.169 4.183 4.350 0.003 0.000 0.191 562 E C 1.472 178.066 176.600 -0.009 0.000 0.985 562 E CA 1.503 57.903 56.400 0.001 0.000 0.801 562 E CB -0.451 29.251 29.700 0.004 0.000 0.750 562 E HN 0.626 nan 8.360 nan 0.000 0.452 563 D N 0.543 120.950 120.400 0.012 0.000 2.183 563 D HA -0.019 4.623 4.640 0.003 0.000 0.203 563 D C 1.813 178.109 176.300 -0.006 0.000 0.969 563 D CA 1.199 55.202 54.000 0.005 0.000 0.842 563 D CB -0.159 40.653 40.800 0.020 0.000 0.957 563 D HN 0.139 nan 8.370 nan 0.000 0.484 564 A N 0.340 123.171 122.820 0.018 0.000 1.898 564 A HA -0.112 4.210 4.320 0.003 0.000 0.216 564 A C 2.395 179.927 177.584 -0.087 0.000 1.181 564 A CA 0.985 53.022 52.037 -0.001 0.000 0.620 564 A CB -0.681 18.354 19.000 0.059 0.000 0.819 564 A HN 0.135 nan 8.150 nan 0.000 0.442 565 V N 0.144 120.002 119.914 -0.094 0.000 2.407 565 V HA -0.260 3.862 4.120 0.003 0.000 0.248 565 V C 2.389 178.366 176.094 -0.196 0.000 1.055 565 V CA 2.318 64.525 62.300 -0.155 0.000 1.049 565 V CB -0.610 31.137 31.823 -0.127 0.000 0.662 565 V HN 0.535 nan 8.190 nan 0.000 0.455 566 K N -0.049 120.268 120.400 -0.139 0.000 2.217 566 K HA -0.042 4.280 4.320 0.003 0.000 0.202 566 K C 1.869 178.375 176.600 -0.157 0.000 1.051 566 K CA 1.515 57.718 56.287 -0.140 0.000 0.952 566 K CB -0.120 32.337 32.500 -0.071 0.000 0.736 566 K HN 0.698 nan 8.250 nan 0.000 0.453 567 I N -2.550 117.934 120.570 -0.142 0.000 3.645 567 I HA 0.028 4.200 4.170 0.003 0.000 0.300 567 I C 1.576 177.537 176.117 -0.260 0.000 1.260 567 I CA 0.520 61.739 61.300 -0.135 0.000 1.365 567 I CB 0.226 38.197 38.000 -0.048 0.000 1.077 567 I HN -0.109 nan 8.210 nan 0.000 0.439 568 L N -0.451 120.561 121.223 -0.351 0.000 2.500 568 L HA 0.354 4.696 4.340 0.003 0.000 0.219 568 L C 1.876 178.462 176.870 -0.472 0.000 1.057 568 L CA 0.897 55.430 54.840 -0.511 0.000 0.854 568 L CB -0.233 41.481 42.059 -0.574 0.000 1.078 568 L HN 0.239 nan 8.230 nan 0.000 0.480 569 L N 0.850 121.783 121.223 -0.483 0.000 2.017 569 L HA -0.036 4.306 4.340 0.003 0.000 0.208 569 L C -0.702 175.642 176.870 -0.878 0.000 1.073 569 L CA 2.098 56.517 54.840 -0.702 0.000 0.745 569 L CB -1.413 40.200 42.059 -0.743 0.000 0.894 569 L HN 0.178 nan 8.230 nan 0.000 0.432 570 P HA -0.075 nan 4.420 nan 0.000 0.221 570 P C 1.375 178.527 177.300 -0.247 0.000 1.150 570 P CA 1.589 64.358 63.100 -0.552 0.000 0.800 570 P CB -0.125 31.108 31.700 -0.778 0.000 0.787 571 A N -0.423 122.240 122.820 -0.261 0.000 1.873 571 A HA -0.115 4.207 4.320 0.003 0.000 0.215 571 A C 2.288 179.822 177.584 -0.083 0.000 1.186 571 A CA 1.682 53.629 52.037 -0.150 0.000 0.616 571 A CB -1.604 17.252 19.000 -0.239 0.000 0.823 571 A HN 0.033 nan 8.150 nan 0.000 0.442 572 V N -0.865 118.948 119.914 -0.169 0.000 2.453 572 V HA -0.169 3.953 4.120 0.003 0.000 0.247 572 V C 2.315 178.492 176.094 0.137 0.000 1.048 572 V CA 1.497 63.741 62.300 -0.093 0.000 1.049 572 V CB -0.991 30.760 31.823 -0.119 0.000 0.672 572 V HN 0.494 nan 8.190 nan 0.000 0.457 573 F N -0.078 119.807 119.950 -0.109 0.000 2.126 573 F HA -0.174 4.354 4.527 0.002 0.000 0.299 573 F C 2.239 178.130 175.800 0.151 0.000 1.096 573 F CA 1.297 59.287 58.000 -0.016 0.000 1.255 573 F CB -1.217 37.733 39.000 -0.083 0.000 0.997 573 F HN 0.256 nan 8.300 nan 0.000 0.479 574 F N 0.298 120.358 119.950 0.183 0.000 2.146 574 F HA -0.135 4.393 4.527 0.003 0.000 0.298 574 F C 1.952 177.767 175.800 0.024 0.000 1.096 574 F CA 1.478 59.543 58.000 0.108 0.000 1.275 574 F CB -0.450 38.585 39.000 0.059 0.000 1.008 574 F HN -0.129 nan 8.300 nan 0.000 0.480 575 L N -0.288 120.900 121.223 -0.057 0.000 2.240 575 L HA 0.006 4.348 4.340 0.003 0.000 0.211 575 L C 2.671 179.514 176.870 -0.044 0.000 1.106 575 L CA 0.813 55.453 54.840 -0.333 0.000 0.793 575 L CB -0.930 40.770 42.059 -0.597 0.000 0.927 575 L HN 0.209 nan 8.230 nan 0.000 0.446 576 A N -0.345 122.565 122.820 0.150 0.000 1.968 576 A HA -0.124 4.198 4.320 0.003 0.000 0.217 576 A C 2.333 179.961 177.584 0.074 0.000 1.169 576 A CA 1.871 54.037 52.037 0.214 0.000 0.638 576 A CB -0.670 18.475 19.000 0.242 0.000 0.812 576 A HN 0.349 nan 8.150 nan 0.000 0.446 577 T N 0.035 114.598 114.554 0.015 0.000 2.777 577 T HA -0.132 4.220 4.350 0.003 0.000 0.266 577 T C 1.973 176.612 174.700 -0.102 0.000 1.040 577 T CA 1.412 63.478 62.100 -0.057 0.000 1.141 577 T CB -0.204 68.620 68.868 -0.075 0.000 0.868 577 T HN 0.439 nan 8.240 nan 0.000 0.444 578 Q N 0.571 120.261 119.800 -0.185 0.000 2.230 578 Q HA 0.038 4.380 4.340 0.003 0.000 0.202 578 Q C 2.380 178.435 176.000 0.092 0.000 0.963 578 Q CA 0.822 56.574 55.803 -0.086 0.000 0.866 578 Q CB -0.201 28.465 28.738 -0.120 0.000 0.931 578 Q HN 0.482 nan 8.270 nan 0.000 0.452 579 R N 1.155 121.713 120.500 0.095 0.000 2.093 579 R HA -0.074 4.268 4.340 0.003 0.000 0.224 579 R C 1.430 177.753 176.300 0.038 0.000 1.101 579 R CA 0.841 57.018 56.100 0.128 0.000 0.979 579 R CB 0.170 30.507 30.300 0.061 0.000 0.877 579 R HN 0.202 nan 8.270 nan 0.000 0.441 580 E N -0.316 119.886 120.200 0.004 0.000 2.463 580 E HA -0.120 4.232 4.350 0.003 0.000 0.201 580 E C 0.705 177.296 176.600 -0.016 0.000 1.045 580 E CA 0.812 57.199 56.400 -0.021 0.000 0.872 580 E CB 0.202 29.876 29.700 -0.044 0.000 0.797 580 E HN 0.302 nan 8.360 nan 0.000 0.538 581 R N 0.000 120.502 120.500 0.003 0.000 2.786 581 R HA 0.000 4.342 4.340 0.003 0.000 0.208 581 R CA 0.000 56.100 56.100 0.000 0.000 0.921 581 R CB 0.000 30.291 30.300 -0.015 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535