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 1ng9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSAIENFDAH TPMMQQYLRL KAQHPEILLF YRMGDFYELF YDDAKRASQL DATA SEQUENCE LDISLTKRGA SAGEPIPMAG IPYHAVENYL AKLVNQGESV AICEQIGDPA DATA SEQUENCE TSKGPVERKV VRIVTPGTIS DEALLQERQD NLLAAIWQDS KGFGYATLDI DATA SEQUENCE SSGRFRLSEP ADRETMAAEL QRTNPAELLY AEDFAEMSLI EGRRGLRRRP DATA SEQUENCE LWEFEIDTAR QQLNLQFGTR DLVGFGVENA PRGLCAAGCL LQYAKDTQRT DATA SEQUENCE TLPHIRSITM EREQDSIIMD AATRRNLEIT QNLAGGAENT LASVLDCTVT DATA SEQUENCE PMGSRMLKRW LHMPVRDTRV LLERQQTIGA LQDFTAGLQP VLRQVGDLER DATA SEQUENCE ILARLALRTA RPRDLARMRH AFQQLPELRA QLETVDSAPV QALREKMGEF DATA SEQUENCE AELRDLLERA IIDTPPVLVR DGGVIASGYN EELDEWRALA DGATDYLERL DATA SEQUENCE EVRERERTGL DTLKVGFNAV HGYYIQISRG QSHLAPINYM RRQTLKNAER DATA SEQUENCE YIIPELKEYE DKVLTSKGKA LALEKQLYEE LFDLLLPHLE ALQQSASALA DATA SEQUENCE ELDVLVNLAE RAYTLNYTCP TFIDKPGIRI TEGRHPVVEQ VLNEPFIANP DATA SEQUENCE LNLSPQRRML IITGPNMGGK STYMRQTALI ALMAYIGSYV PAQKVEIGPI DATA SEQUENCE DRIFTRVGAX XXXXXGRSTF MVEMTETANI LHNATEYSLV LMDEIGAGTS DATA SEQUENCE TYDGLSLAWA CAENLANKIK ALTLFATHYF ELTQLPEKME GVANVHLDAL DATA SEQUENCE EHGDTIAFMH SVQDGAASKS YGLAVAALAG VPKEVIKRAR QKLRELESIS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.608 32.600 0.014 0.000 1.302 2 S N 0.893 116.601 115.700 0.013 0.000 3.535 2 S HA 0.199 4.673 4.470 0.007 0.000 0.851 2 S C 0.119 174.726 174.600 0.012 0.000 1.248 2 S CA 1.633 59.839 58.200 0.011 0.000 0.856 2 S CB -1.168 62.039 63.200 0.011 0.000 0.517 2 S HN 2.548 nan 8.310 nan 0.000 0.312 3 A N 1.311 124.134 122.820 0.005 0.000 1.900 3 A HA -0.199 4.125 4.320 0.007 0.000 0.251 3 A C 0.231 177.823 177.584 0.014 0.000 1.334 3 A CA 0.875 52.913 52.037 0.000 0.000 0.728 3 A CB -1.502 17.495 19.000 -0.005 0.000 1.197 3 A HN 0.974 nan 8.150 nan 0.000 0.278 4 I N 1.214 121.794 120.570 0.016 0.000 2.769 4 I HA -0.019 4.155 4.170 0.007 0.000 0.285 4 I C 1.239 177.385 176.117 0.047 0.000 1.173 4 I CA 1.049 62.367 61.300 0.030 0.000 1.389 4 I CB 0.325 38.341 38.000 0.026 0.000 1.404 4 I HN 0.635 nan 8.210 nan 0.000 0.544 5 E N 6.409 126.660 120.200 0.085 0.000 2.947 5 E HA 0.067 4.421 4.350 0.007 0.000 0.229 5 E C -0.289 176.461 176.600 0.249 0.000 1.158 5 E CA -0.450 56.064 56.400 0.190 0.000 1.441 5 E CB 0.166 30.010 29.700 0.239 0.000 1.414 5 E HN 0.620 nan 8.360 nan 0.000 0.432 6 N N -0.033 118.770 118.700 0.171 0.000 2.326 6 N HA -0.096 4.648 4.740 0.007 0.000 0.239 6 N C 0.805 176.458 175.510 0.237 0.000 1.301 6 N CA -0.113 53.036 53.050 0.165 0.000 0.909 6 N CB 0.632 39.193 38.487 0.123 0.000 1.156 6 N HN 0.066 nan 8.380 nan 0.000 0.462 7 F N 0.421 120.398 119.950 0.044 0.000 2.091 7 F HA -0.210 4.321 4.527 0.007 0.000 0.299 7 F C 1.551 177.405 175.800 0.090 0.000 1.103 7 F CA 1.860 59.874 58.000 0.023 0.000 1.228 7 F CB -0.113 38.881 39.000 -0.010 0.000 0.984 7 F HN 0.455 nan 8.300 nan 0.000 0.477 8 D N -0.078 120.455 120.400 0.222 0.000 2.219 8 D HA -0.069 4.575 4.640 0.007 0.000 0.205 8 D C 2.146 178.476 176.300 0.050 0.000 0.970 8 D CA 1.210 55.286 54.000 0.127 0.000 0.851 8 D CB -0.519 40.357 40.800 0.127 0.000 0.943 8 D HN 0.344 nan 8.370 nan 0.000 0.488 9 A N -0.114 122.746 122.820 0.067 0.000 2.206 9 A HA -0.031 4.293 4.320 0.007 0.000 0.211 9 A C 0.408 177.932 177.584 -0.101 0.000 1.158 9 A CA 0.410 52.444 52.037 -0.006 0.000 0.761 9 A CB -0.420 18.576 19.000 -0.006 0.000 0.801 9 A HN 0.191 nan 8.150 nan 0.000 0.473 10 H N -0.192 118.800 119.070 -0.130 0.000 2.482 10 H HA 0.428 4.989 4.556 0.007 0.000 0.344 10 H C 0.940 176.157 175.328 -0.185 0.000 1.151 10 H CA 0.639 56.586 56.048 -0.169 0.000 1.300 10 H CB 1.016 30.630 29.762 -0.247 0.000 1.494 10 H HN 0.245 nan 8.280 nan 0.000 0.542 11 T N 0.055 114.573 114.554 -0.059 0.000 2.868 11 T HA 0.082 4.437 4.350 0.007 0.000 0.292 11 T C -1.681 172.969 174.700 -0.082 0.000 1.028 11 T CA -1.626 60.429 62.100 -0.075 0.000 1.059 11 T CB 0.911 69.729 68.868 -0.084 0.000 0.991 11 T HN 0.339 nan 8.240 nan 0.000 0.531 12 P HA -0.156 nan 4.420 nan 0.000 0.216 12 P C 1.787 179.081 177.300 -0.010 0.000 1.150 12 P CA 1.156 64.235 63.100 -0.036 0.000 0.843 12 P CB -0.085 31.614 31.700 -0.002 0.000 0.787 13 M N -1.874 117.719 119.600 -0.011 0.000 2.086 13 M HA -0.148 4.336 4.480 0.007 0.000 0.261 13 M C 1.691 177.987 176.300 -0.008 0.000 1.067 13 M CA 2.010 57.320 55.300 0.017 0.000 1.116 13 M CB -0.334 32.246 32.600 -0.033 0.000 1.348 13 M HN -0.144 nan 8.290 nan 0.000 0.407 14 M N -0.018 119.546 119.600 -0.060 0.000 2.254 14 M HA -0.121 4.363 4.480 0.007 0.000 0.265 14 M C 1.934 178.226 176.300 -0.013 0.000 1.066 14 M CA 1.466 56.760 55.300 -0.010 0.000 1.123 14 M CB -1.268 31.390 32.600 0.096 0.000 1.388 14 M HN 0.401 nan 8.290 nan 0.000 0.425 15 Q N 0.047 119.764 119.800 -0.140 0.000 2.002 15 Q HA -0.256 4.088 4.340 0.007 0.000 0.204 15 Q C 2.138 178.126 176.000 -0.020 0.000 0.988 15 Q CA 1.894 57.505 55.803 -0.320 0.000 0.843 15 Q CB -0.308 28.082 28.738 -0.580 0.000 0.908 15 Q HN 0.559 nan 8.270 nan 0.000 0.420 16 Q N -0.412 119.429 119.800 0.069 0.000 2.170 16 Q HA -0.229 4.115 4.340 0.007 0.000 0.203 16 Q C 1.896 178.010 176.000 0.189 0.000 0.976 16 Q CA 1.374 57.276 55.803 0.165 0.000 0.858 16 Q CB -0.084 28.779 28.738 0.208 0.000 0.907 16 Q HN 0.464 nan 8.270 nan 0.000 0.433 17 Y N 0.678 120.973 120.300 -0.009 0.000 2.133 17 Y HA -0.167 4.388 4.550 0.007 0.000 0.287 17 Y C 1.797 177.674 175.900 -0.038 0.000 1.134 17 Y CA 1.581 59.584 58.100 -0.162 0.000 1.133 17 Y CB -0.287 37.897 38.460 -0.461 0.000 0.987 17 Y HN 0.068 nan 8.280 nan 0.000 0.502 18 L N -0.063 121.113 121.223 -0.079 0.000 2.131 18 L HA -0.188 4.156 4.340 0.007 0.000 0.210 18 L C 2.652 179.440 176.870 -0.137 0.000 1.092 18 L CA 1.262 56.003 54.840 -0.165 0.000 0.759 18 L CB -0.549 41.445 42.059 -0.109 0.000 0.903 18 L HN 0.135 nan 8.230 nan 0.000 0.435 19 R N 0.135 120.613 120.500 -0.037 0.000 2.091 19 R HA -0.155 4.189 4.340 0.007 0.000 0.238 19 R C 2.266 178.544 176.300 -0.037 0.000 1.136 19 R CA 1.447 57.549 56.100 0.004 0.000 0.959 19 R CB -0.352 29.999 30.300 0.084 0.000 0.856 19 R HN 0.331 nan 8.270 nan 0.000 0.437 20 L N 0.096 121.301 121.223 -0.029 0.000 2.179 20 L HA -0.087 4.258 4.340 0.007 0.000 0.208 20 L C 2.330 179.167 176.870 -0.054 0.000 1.096 20 L CA 0.840 55.684 54.840 0.006 0.000 0.779 20 L CB -0.187 41.965 42.059 0.155 0.000 0.922 20 L HN 0.005 nan 8.230 nan 0.000 0.443 21 K N 0.928 121.198 120.400 -0.217 0.000 2.217 21 K HA -0.025 4.299 4.320 0.007 0.000 0.202 21 K C 1.932 178.467 176.600 -0.108 0.000 1.051 21 K CA 1.218 57.385 56.287 -0.201 0.000 0.952 21 K CB -0.112 32.118 32.500 -0.451 0.000 0.736 21 K HN 0.181 nan 8.250 nan 0.000 0.453 22 A N 0.431 123.177 122.820 -0.124 0.000 2.014 22 A HA -0.104 4.220 4.320 0.007 0.000 0.218 22 A C 1.811 179.317 177.584 -0.129 0.000 1.163 22 A CA 1.130 53.109 52.037 -0.096 0.000 0.652 22 A CB -0.344 18.609 19.000 -0.078 0.000 0.808 22 A HN 0.477 nan 8.150 nan 0.000 0.449 23 Q N -0.799 118.867 119.800 -0.225 0.000 2.435 23 Q HA -0.034 4.310 4.340 0.007 0.000 0.207 23 Q C -0.318 175.273 176.000 -0.682 0.000 0.956 23 Q CA 0.636 56.185 55.803 -0.424 0.000 0.917 23 Q CB 0.129 28.568 28.738 -0.499 0.000 0.997 23 Q HN 0.774 nan 8.270 nan 0.000 0.497 24 H N -0.874 118.189 119.070 -0.013 0.000 2.511 24 H HA 0.151 4.711 4.556 0.007 0.000 0.228 24 H C -1.950 173.377 175.328 -0.002 0.000 1.424 24 H CA -1.656 54.389 56.048 -0.006 0.000 1.321 24 H CB 0.794 30.550 29.762 -0.009 0.000 1.720 24 H HN 0.104 nan 8.280 nan 0.000 0.512 25 P HA -0.124 nan 4.420 nan 0.000 0.217 25 P C 0.854 178.191 177.300 0.061 0.000 1.150 25 P CA 1.251 64.376 63.100 0.042 0.000 0.832 25 P CB 0.686 32.398 31.700 0.021 0.000 0.787 26 E N -0.113 120.130 120.200 0.071 0.000 2.501 26 E HA 0.215 4.570 4.350 0.007 0.000 0.200 26 E C 0.937 177.577 176.600 0.065 0.000 1.016 26 E CA -0.175 56.264 56.400 0.064 0.000 0.921 26 E CB 0.341 30.075 29.700 0.056 0.000 1.034 26 E HN 0.479 nan 8.360 nan 0.000 0.468 27 I N -2.753 117.860 120.570 0.071 0.000 2.934 27 I HA 0.397 4.571 4.170 0.007 0.000 0.306 27 I C -0.293 175.852 176.117 0.047 0.000 1.110 27 I CA -1.306 60.020 61.300 0.043 0.000 1.019 27 I CB 1.596 39.602 38.000 0.011 0.000 1.227 27 I HN -0.283 nan 8.210 nan 0.000 0.434 28 L N 3.562 124.800 121.223 0.024 0.000 2.506 28 L HA 0.139 4.483 4.340 0.007 0.000 0.281 28 L C -0.419 176.482 176.870 0.051 0.000 1.228 28 L CA -0.070 54.806 54.840 0.061 0.000 0.850 28 L CB 0.435 42.516 42.059 0.036 0.000 1.110 28 L HN 0.476 nan 8.230 nan 0.000 0.496 29 L N 3.549 124.883 121.223 0.185 0.000 2.345 29 L HA 0.479 4.823 4.340 0.007 0.000 0.274 29 L C -0.726 176.415 176.870 0.452 0.000 0.999 29 L CA -0.090 54.896 54.840 0.243 0.000 0.849 29 L CB 0.748 42.971 42.059 0.273 0.000 1.220 29 L HN 0.125 nan 8.230 nan 0.000 0.422 30 F N 4.850 124.858 119.950 0.098 0.000 2.504 30 F HA 0.211 4.743 4.527 0.008 0.000 0.369 30 F C -0.284 175.712 175.800 0.325 0.000 1.082 30 F CA -0.040 58.031 58.000 0.118 0.000 1.216 30 F CB 0.254 39.145 39.000 -0.182 0.000 1.108 30 F HN 0.420 nan 8.300 nan 0.000 0.554 31 Y N 3.752 124.308 120.300 0.426 0.000 2.332 31 Y HA 0.430 4.984 4.550 0.007 0.000 0.326 31 Y C -0.067 176.036 175.900 0.339 0.000 0.978 31 Y CA -1.373 56.972 58.100 0.408 0.000 1.205 31 Y CB 0.624 39.372 38.460 0.479 0.000 1.131 31 Y HN 0.504 nan 8.280 nan 0.000 0.462 32 R N 5.571 126.076 120.500 0.008 0.000 2.404 32 R HA 0.271 4.615 4.340 0.007 0.000 0.315 32 R C -1.209 175.033 176.300 -0.096 0.000 1.032 32 R CA 0.456 56.503 56.100 -0.089 0.000 0.992 32 R CB 0.026 30.243 30.300 -0.139 0.000 0.959 32 R HN 0.600 nan 8.270 nan 0.000 0.428 33 M N 4.965 124.570 119.600 0.008 0.000 1.999 33 M HA 0.256 4.741 4.480 0.007 0.000 0.299 33 M C 0.720 177.042 176.300 0.036 0.000 0.900 33 M CA -0.176 55.158 55.300 0.057 0.000 0.904 33 M CB 0.926 33.616 32.600 0.149 0.000 1.477 33 M HN 0.851 nan 8.290 nan 0.000 0.403 34 G N 3.723 112.509 108.800 -0.024 0.000 2.622 34 G HA2 -0.298 3.666 3.960 0.007 0.000 0.307 34 G HA3 -0.298 3.666 3.960 0.007 0.000 0.307 34 G C 0.188 175.034 174.900 -0.091 0.000 1.226 34 G CA 0.550 45.629 45.100 -0.035 0.000 0.997 34 G HN 0.590 nan 8.290 nan 0.000 0.551 35 D N 1.018 121.435 120.400 0.029 0.000 2.434 35 D HA 0.515 5.159 4.640 0.007 0.000 0.232 35 D C -0.118 176.133 176.300 -0.082 0.000 1.166 35 D CA 0.351 54.344 54.000 -0.010 0.000 0.830 35 D CB -0.216 40.631 40.800 0.079 0.000 0.960 35 D HN 0.204 nan 8.370 nan 0.000 0.497 36 F N -0.473 119.408 119.950 -0.116 0.000 2.588 36 F HA 0.362 4.894 4.527 0.007 0.000 0.310 36 F C -0.676 174.960 175.800 -0.274 0.000 1.082 36 F CA -1.190 56.724 58.000 -0.143 0.000 0.929 36 F CB 1.383 40.326 39.000 -0.094 0.000 1.254 36 F HN -0.257 nan 8.300 nan 0.000 0.455 37 Y N 1.568 121.899 120.300 0.051 0.000 2.326 37 Y HA 0.458 5.013 4.550 0.007 0.000 0.337 37 Y C -0.101 175.702 175.900 -0.161 0.000 1.023 37 Y CA -0.666 57.390 58.100 -0.073 0.000 1.143 37 Y CB 1.105 39.395 38.460 -0.284 0.000 1.183 37 Y HN 0.467 nan 8.280 nan 0.000 0.485 38 E N 2.878 123.111 120.200 0.055 0.000 2.227 38 E HA 0.672 5.026 4.350 0.007 0.000 0.268 38 E C -1.454 174.956 176.600 -0.318 0.000 0.907 38 E CA -0.848 55.423 56.400 -0.214 0.000 0.786 38 E CB 1.992 31.535 29.700 -0.262 0.000 1.191 38 E HN 0.434 nan 8.360 nan 0.000 0.411 39 L N 1.845 122.727 121.223 -0.568 0.000 2.323 39 L HA 0.621 4.966 4.340 0.007 0.000 0.265 39 L C -1.067 175.272 176.870 -0.885 0.000 1.012 39 L CA -0.535 54.050 54.840 -0.426 0.000 0.820 39 L CB 0.938 42.938 42.059 -0.099 0.000 1.334 39 L HN 0.446 nan 8.230 nan 0.000 0.427 40 F N -0.482 119.448 119.950 -0.034 0.000 2.613 40 F HA 0.643 5.174 4.527 0.007 0.000 0.314 40 F C -0.036 175.803 175.800 0.065 0.000 1.075 40 F CA -0.876 57.005 58.000 -0.198 0.000 0.945 40 F CB 1.105 39.748 39.000 -0.594 0.000 1.310 40 F HN 0.381 nan 8.300 nan 0.000 0.467 41 Y N -0.541 119.888 120.300 0.215 0.000 2.877 41 Y HA -0.415 4.140 4.550 0.007 0.000 0.467 41 Y C 1.819 177.784 175.900 0.109 0.000 1.184 41 Y CA 1.130 59.317 58.100 0.145 0.000 2.567 41 Y CB -1.314 37.245 38.460 0.166 0.000 1.217 41 Y HN 0.628 nan 8.280 nan 0.000 0.629 42 D N -0.194 120.392 120.400 0.310 0.000 2.183 42 D HA -0.110 4.534 4.640 0.007 0.000 0.203 42 D C 1.349 177.740 176.300 0.153 0.000 0.969 42 D CA 1.503 55.611 54.000 0.181 0.000 0.842 42 D CB -0.242 40.646 40.800 0.146 0.000 0.957 42 D HN 0.425 nan 8.370 nan 0.000 0.484 43 D N 0.712 121.228 120.400 0.193 0.000 2.116 43 D HA -0.156 4.488 4.640 0.007 0.000 0.193 43 D C 1.981 178.340 176.300 0.099 0.000 0.998 43 D CA 1.188 55.286 54.000 0.162 0.000 0.836 43 D CB -0.261 40.676 40.800 0.228 0.000 0.951 43 D HN 0.141 nan 8.370 nan 0.000 0.449 44 A N 0.728 123.586 122.820 0.063 0.000 1.930 44 A HA -0.183 4.141 4.320 0.007 0.000 0.217 44 A C 2.002 179.589 177.584 0.004 0.000 1.175 44 A CA 1.299 53.324 52.037 -0.021 0.000 0.627 44 A CB -0.255 18.696 19.000 -0.081 0.000 0.815 44 A HN 0.142 nan 8.150 nan 0.000 0.443 45 K N -0.528 119.895 120.400 0.039 0.000 2.057 45 K HA -0.088 4.237 4.320 0.007 0.000 0.206 45 K C 2.295 178.919 176.600 0.039 0.000 1.050 45 K CA 1.255 57.564 56.287 0.037 0.000 0.935 45 K CB -0.194 32.338 32.500 0.053 0.000 0.715 45 K HN 0.382 nan 8.250 nan 0.000 0.439 46 R N 0.666 121.198 120.500 0.054 0.000 2.062 46 R HA -0.044 4.301 4.340 0.007 0.000 0.231 46 R C 2.494 178.826 176.300 0.054 0.000 1.136 46 R CA 1.193 57.327 56.100 0.056 0.000 0.948 46 R CB -0.436 29.904 30.300 0.067 0.000 0.845 46 R HN 0.181 nan 8.270 nan 0.000 0.430 47 A N 0.514 123.368 122.820 0.058 0.000 1.948 47 A HA -0.246 4.079 4.320 0.007 0.000 0.220 47 A C 2.174 179.773 177.584 0.024 0.000 1.177 47 A CA 2.085 54.156 52.037 0.057 0.000 0.636 47 A CB -0.732 18.300 19.000 0.054 0.000 0.815 47 A HN 0.367 nan 8.150 nan 0.000 0.449 48 S N -0.846 114.858 115.700 0.006 0.000 2.370 48 S HA -0.257 4.217 4.470 0.007 0.000 0.226 48 S C 2.147 176.759 174.600 0.021 0.000 1.033 48 S CA 1.895 60.095 58.200 -0.001 0.000 1.011 48 S CB -0.347 62.849 63.200 -0.006 0.000 0.852 48 S HN 0.714 nan 8.310 nan 0.000 0.457 49 Q N -0.022 119.797 119.800 0.031 0.000 2.096 49 Q HA 0.106 4.451 4.340 0.007 0.000 0.197 49 Q C 2.323 178.351 176.000 0.047 0.000 0.964 49 Q CA 1.292 57.116 55.803 0.036 0.000 0.838 49 Q CB -0.168 28.590 28.738 0.034 0.000 0.906 49 Q HN 0.518 nan 8.270 nan 0.000 0.444 50 L N 0.029 121.285 121.223 0.056 0.000 2.068 50 L HA -0.106 4.238 4.340 0.007 0.000 0.204 50 L C 2.079 179.006 176.870 0.094 0.000 1.076 50 L CA 0.889 55.770 54.840 0.068 0.000 0.753 50 L CB -0.290 41.812 42.059 0.072 0.000 0.910 50 L HN 0.210 nan 8.230 nan 0.000 0.439 51 L N -0.878 120.412 121.223 0.111 0.000 2.418 51 L HA 0.012 4.356 4.340 0.007 0.000 0.218 51 L C 0.196 177.169 176.870 0.172 0.000 1.125 51 L CA 0.087 55.037 54.840 0.184 0.000 0.835 51 L CB -0.422 41.717 42.059 0.133 0.000 0.953 51 L HN 0.272 nan 8.230 nan 0.000 0.454 52 D N 1.097 121.554 120.400 0.096 0.000 2.760 52 D HA -0.178 4.466 4.640 0.007 0.000 0.244 52 D C -0.355 175.987 176.300 0.071 0.000 1.123 52 D CA 0.553 54.598 54.000 0.076 0.000 0.719 52 D CB -0.764 40.084 40.800 0.080 0.000 1.045 52 D HN 0.498 nan 8.370 nan 0.000 0.426 53 I N -3.667 116.919 120.570 0.027 0.000 3.145 53 I HA 0.638 4.812 4.170 0.007 0.000 0.313 53 I C 0.148 176.252 176.117 -0.022 0.000 1.122 53 I CA -1.119 60.176 61.300 -0.007 0.000 0.987 53 I CB 2.047 39.998 38.000 -0.081 0.000 1.236 53 I HN -0.036 nan 8.210 nan 0.000 0.453 54 S N 2.149 117.831 115.700 -0.030 0.000 2.549 54 S HA 0.355 4.830 4.470 0.007 0.000 0.279 54 S C -0.428 174.141 174.600 -0.052 0.000 1.321 54 S CA -0.445 57.735 58.200 -0.033 0.000 1.054 54 S CB 0.339 63.521 63.200 -0.031 0.000 0.899 54 S HN 0.455 nan 8.310 nan 0.000 0.497 55 L N 5.961 127.160 121.223 -0.040 0.000 2.255 55 L HA 0.546 4.890 4.340 0.007 0.000 0.289 55 L C 0.319 177.161 176.870 -0.047 0.000 1.046 55 L CA 0.497 55.310 54.840 -0.046 0.000 0.816 55 L CB 0.852 42.896 42.059 -0.026 0.000 1.197 55 L HN 0.709 nan 8.230 nan 0.000 0.427 56 T N 3.936 118.450 114.554 -0.065 0.000 2.644 56 T HA 0.744 5.098 4.350 0.007 0.000 0.253 56 T C -1.137 173.526 174.700 -0.062 0.000 0.910 56 T CA -0.400 61.663 62.100 -0.062 0.000 1.066 56 T CB 0.878 69.701 68.868 -0.075 0.000 1.484 56 T HN 0.750 nan 8.240 nan 0.000 0.560 57 K N 0.632 120.996 120.400 -0.061 0.000 2.557 57 K HA 0.521 4.845 4.320 0.007 0.000 0.261 57 K C -1.206 175.359 176.600 -0.058 0.000 0.932 57 K CA -1.053 55.200 56.287 -0.058 0.000 0.829 57 K CB 1.723 34.190 32.500 -0.054 0.000 1.358 57 K HN 0.614 nan 8.250 nan 0.000 0.430 58 R N 1.212 121.678 120.500 -0.056 0.000 2.357 58 R HA 0.339 4.683 4.340 0.007 0.000 0.296 58 R C 0.115 176.362 176.300 -0.089 0.000 1.052 58 R CA -0.040 56.019 56.100 -0.069 0.000 0.988 58 R CB 0.884 31.140 30.300 -0.072 0.000 1.025 58 R HN 0.849 nan 8.270 nan 0.000 0.469 59 G N 1.442 110.195 108.800 -0.079 0.000 2.594 59 G HA2 0.420 4.385 3.960 0.007 0.000 0.243 59 G HA3 0.420 4.385 3.960 0.007 0.000 0.243 59 G C -1.032 173.815 174.900 -0.090 0.000 1.229 59 G CA -0.037 45.018 45.100 -0.074 0.000 0.843 59 G HN 0.780 nan 8.290 nan 0.000 0.578 60 A N 0.265 123.037 122.820 -0.080 0.000 2.488 60 A HA 0.628 4.953 4.320 0.007 0.000 0.298 60 A C 0.590 178.131 177.584 -0.072 0.000 1.044 60 A CA 0.308 52.291 52.037 -0.089 0.000 0.693 60 A CB 1.580 20.520 19.000 -0.102 0.000 1.272 60 A HN 1.102 nan 8.150 nan 0.000 0.402 61 S N 1.219 116.875 115.700 -0.072 0.000 2.439 61 S HA 0.252 4.726 4.470 0.007 0.000 0.224 61 S C 0.963 175.527 174.600 -0.060 0.000 1.029 61 S CA 1.168 59.333 58.200 -0.059 0.000 0.946 61 S CB -0.157 63.011 63.200 -0.053 0.000 0.797 61 S HN 1.824 nan 8.310 nan 0.000 0.504 62 A N 0.916 123.688 122.820 -0.079 0.000 2.341 62 A HA 0.659 4.983 4.320 0.007 0.000 0.326 62 A C 1.064 178.598 177.584 -0.084 0.000 1.402 62 A CA 0.021 52.008 52.037 -0.083 0.000 0.957 62 A CB -0.828 18.107 19.000 -0.110 0.000 1.151 62 A HN 1.176 nan 8.150 nan 0.000 0.533 63 G N 1.673 110.438 108.800 -0.058 0.000 2.527 63 G HA2 -0.174 3.790 3.960 0.007 0.000 0.268 63 G HA3 -0.174 3.790 3.960 0.007 0.000 0.268 63 G C 0.073 174.949 174.900 -0.040 0.000 1.175 63 G CA 0.404 45.477 45.100 -0.045 0.000 0.962 63 G HN 0.940 nan 8.290 nan 0.000 0.560 64 E N 2.446 122.629 120.200 -0.028 0.000 2.349 64 E HA 0.619 4.973 4.350 0.007 0.000 0.265 64 E C -1.521 175.061 176.600 -0.030 0.000 1.064 64 E CA -1.162 55.229 56.400 -0.016 0.000 0.886 64 E CB 0.613 30.319 29.700 0.010 0.000 1.036 64 E HN 0.427 nan 8.360 nan 0.000 0.413 65 P HA 0.285 nan 4.420 nan 0.000 0.277 65 P C -0.587 176.664 177.300 -0.082 0.000 1.271 65 P CA -0.137 62.925 63.100 -0.064 0.000 0.795 65 P CB 0.507 32.174 31.700 -0.055 0.000 1.101 66 I N 0.994 121.473 120.570 -0.151 0.000 2.355 66 I HA 0.279 4.453 4.170 0.007 0.000 0.288 66 I C -2.267 173.735 176.117 -0.192 0.000 0.999 66 I CA -2.652 58.470 61.300 -0.296 0.000 1.163 66 I CB 1.506 39.221 38.000 -0.476 0.000 1.316 66 I HN 0.112 nan 8.210 nan 0.000 0.454 67 P HA 0.110 nan 4.420 nan 0.000 0.266 67 P C -0.751 176.511 177.300 -0.063 0.000 1.193 67 P CA 0.038 63.092 63.100 -0.076 0.000 0.770 67 P CB 0.535 32.223 31.700 -0.019 0.000 0.836 68 M N 1.853 121.400 119.600 -0.087 0.000 2.413 68 M HA 0.688 5.173 4.480 0.007 0.000 0.287 68 M C -2.047 174.129 176.300 -0.208 0.000 1.186 68 M CA -0.461 54.728 55.300 -0.184 0.000 0.927 68 M CB 2.170 34.712 32.600 -0.097 0.000 1.715 68 M HN 0.457 nan 8.290 nan 0.000 0.478 69 A N 2.172 124.810 122.820 -0.303 0.000 2.588 69 A HA 1.059 5.383 4.320 0.007 0.000 0.290 69 A C -0.783 176.629 177.584 -0.287 0.000 1.136 69 A CA -0.129 51.767 52.037 -0.235 0.000 0.681 69 A CB 1.639 20.537 19.000 -0.169 0.000 1.282 69 A HN 1.470 nan 8.150 nan 0.000 0.421 70 G N -1.257 107.406 108.800 -0.228 0.000 2.338 70 G HA2 0.641 4.606 3.960 0.007 0.000 0.295 70 G HA3 0.641 4.606 3.960 0.007 0.000 0.295 70 G C -1.419 173.413 174.900 -0.113 0.000 1.461 70 G CA 0.103 45.080 45.100 -0.204 0.000 0.817 70 G HN 1.937 nan 8.290 nan 0.000 0.556 71 I N -2.386 118.122 120.570 -0.103 0.000 2.865 71 I HA 0.738 4.912 4.170 0.007 0.000 0.302 71 I C -2.905 173.088 176.117 -0.206 0.000 1.140 71 I CA -3.026 58.169 61.300 -0.175 0.000 1.021 71 I CB 2.561 40.246 38.000 -0.524 0.000 1.233 71 I HN 0.252 nan 8.210 nan 0.000 0.427 72 P HA 0.014 nan 4.420 nan 0.000 0.268 72 P C -0.037 176.973 177.300 -0.483 0.000 1.205 72 P CA 0.069 62.667 63.100 -0.837 0.000 0.771 72 P CB 0.163 31.347 31.700 -0.860 0.000 0.858 73 Y N 2.810 122.855 120.300 -0.425 0.000 2.274 73 Y HA -0.242 4.312 4.550 0.007 0.000 0.290 73 Y C 1.868 177.753 175.900 -0.025 0.000 1.145 73 Y CA 1.609 59.568 58.100 -0.234 0.000 1.203 73 Y CB -1.479 36.755 38.460 -0.377 0.000 0.984 73 Y HN 0.507 nan 8.280 nan 0.000 0.533 74 H N -0.764 117.697 119.070 -1.015 0.000 2.556 74 H HA 0.463 5.023 4.556 0.007 0.000 0.268 74 H C 1.219 176.372 175.328 -0.293 0.000 0.996 74 H CA 0.393 55.964 56.048 -0.796 0.000 1.157 74 H CB -0.046 29.215 29.762 -0.835 0.000 1.355 74 H HN 0.361 nan 8.280 nan 0.000 0.597 75 A N 0.736 123.292 122.820 -0.441 0.000 2.538 75 A HA 0.324 4.649 4.320 0.007 0.000 0.269 75 A C 1.821 179.439 177.584 0.057 0.000 1.231 75 A CA 0.210 52.134 52.037 -0.188 0.000 0.948 75 A CB -0.242 18.631 19.000 -0.211 0.000 1.110 75 A HN 0.268 nan 8.150 nan 0.000 0.529 76 V N -0.483 119.496 119.914 0.109 0.000 2.332 76 V HA -0.309 3.815 4.120 0.007 0.000 0.248 76 V C 2.188 178.391 176.094 0.181 0.000 1.055 76 V CA 2.408 64.847 62.300 0.232 0.000 1.038 76 V CB -1.068 30.895 31.823 0.233 0.000 0.651 76 V HN 0.713 nan 8.190 nan 0.000 0.450 77 E N 0.653 120.902 120.200 0.081 0.000 2.118 77 E HA -0.259 4.096 4.350 0.007 0.000 0.195 77 E C 2.216 178.818 176.600 0.003 0.000 0.992 77 E CA 1.452 57.873 56.400 0.036 0.000 0.804 77 E CB -0.160 29.545 29.700 0.009 0.000 0.741 77 E HN 0.656 nan 8.360 nan 0.000 0.458 78 N N -0.592 118.073 118.700 -0.058 0.000 2.120 78 N HA -0.154 4.590 4.740 0.007 0.000 0.188 78 N C 1.561 176.956 175.510 -0.192 0.000 1.024 78 N CA 1.142 54.083 53.050 -0.182 0.000 0.852 78 N CB -0.147 38.138 38.487 -0.337 0.000 1.003 78 N HN 0.295 nan 8.380 nan 0.000 0.424 79 Y N 1.187 121.513 120.300 0.043 0.000 2.337 79 Y HA 0.110 4.664 4.550 0.007 0.000 0.293 79 Y C 2.358 178.314 175.900 0.093 0.000 1.123 79 Y CA 0.252 58.404 58.100 0.086 0.000 1.201 79 Y CB -0.438 38.103 38.460 0.134 0.000 1.011 79 Y HN -0.030 nan 8.280 nan 0.000 0.545 80 L N -0.766 120.583 121.223 0.211 0.000 2.079 80 L HA -0.277 4.067 4.340 0.007 0.000 0.210 80 L C 2.603 179.484 176.870 0.018 0.000 1.081 80 L CA 1.169 56.044 54.840 0.058 0.000 0.752 80 L CB -0.690 41.374 42.059 0.008 0.000 0.896 80 L HN 0.277 nan 8.230 nan 0.000 0.433 81 A N 0.126 122.955 122.820 0.016 0.000 1.855 81 A HA -0.230 4.094 4.320 0.007 0.000 0.215 81 A C 2.274 179.861 177.584 0.005 0.000 1.191 81 A CA 1.694 53.727 52.037 -0.006 0.000 0.613 81 A CB -0.381 18.604 19.000 -0.025 0.000 0.829 81 A HN 0.279 nan 8.150 nan 0.000 0.442 82 K N -0.475 119.937 120.400 0.020 0.000 2.113 82 K HA -0.130 4.194 4.320 0.007 0.000 0.208 82 K C 1.811 178.440 176.600 0.048 0.000 1.047 82 K CA 1.557 57.867 56.287 0.038 0.000 0.928 82 K CB -0.387 32.158 32.500 0.075 0.000 0.716 82 K HN 0.488 nan 8.250 nan 0.000 0.446 83 L N -0.311 120.943 121.223 0.053 0.000 2.068 83 L HA -0.118 4.226 4.340 0.007 0.000 0.204 83 L C 2.296 179.166 176.870 -0.000 0.000 1.076 83 L CA 0.583 55.439 54.840 0.027 0.000 0.753 83 L CB -0.327 41.731 42.059 -0.001 0.000 0.910 83 L HN -0.009 nan 8.230 nan 0.000 0.439 84 V N 0.462 120.368 119.914 -0.013 0.000 2.626 84 V HA -0.203 3.921 4.120 0.007 0.000 0.252 84 V C 2.098 178.187 176.094 -0.007 0.000 1.067 84 V CA 1.443 63.732 62.300 -0.018 0.000 1.081 84 V CB -0.500 31.306 31.823 -0.028 0.000 0.686 84 V HN 0.494 nan 8.190 nan 0.000 0.468 85 N N 0.170 118.869 118.700 -0.002 0.000 2.289 85 N HA -0.155 4.589 4.740 0.007 0.000 0.184 85 N C 1.640 177.153 175.510 0.005 0.000 1.016 85 N CA 1.195 54.245 53.050 0.001 0.000 0.872 85 N CB -0.175 38.313 38.487 0.002 0.000 0.973 85 N HN 0.645 nan 8.380 nan 0.000 0.433 86 Q N -1.013 118.792 119.800 0.009 0.000 2.319 86 Q HA 0.276 4.621 4.340 0.007 0.000 0.202 86 Q C 0.605 176.612 176.000 0.011 0.000 0.896 86 Q CA 0.314 56.125 55.803 0.013 0.000 0.942 86 Q CB 0.799 29.549 28.738 0.021 0.000 1.083 86 Q HN 0.339 nan 8.270 nan 0.000 0.510 87 G N 1.027 109.831 108.800 0.006 0.000 2.141 87 G HA2 -0.180 3.784 3.960 0.007 0.000 0.231 87 G HA3 -0.180 3.784 3.960 0.007 0.000 0.231 87 G C -0.313 174.591 174.900 0.007 0.000 0.984 87 G CA -0.415 44.689 45.100 0.007 0.000 0.660 87 G HN 0.158 nan 8.290 nan 0.000 0.525 88 E N 1.187 121.387 120.200 -0.001 0.000 2.229 88 E HA 0.484 4.839 4.350 0.007 0.000 0.283 88 E C 0.345 176.923 176.600 -0.037 0.000 1.030 88 E CA -0.048 56.346 56.400 -0.010 0.000 0.836 88 E CB 1.386 31.080 29.700 -0.011 0.000 1.068 88 E HN 0.260 nan 8.360 nan 0.000 0.401 89 S N 1.121 116.800 115.700 -0.035 0.000 2.601 89 S HA 0.448 4.923 4.470 0.007 0.000 0.271 89 S C -0.034 174.481 174.600 -0.141 0.000 1.305 89 S CA -0.712 57.445 58.200 -0.072 0.000 1.022 89 S CB 1.042 64.222 63.200 -0.033 0.000 0.940 89 S HN 0.267 nan 8.310 nan 0.000 0.525 90 V N 1.080 120.857 119.914 -0.227 0.000 2.668 90 V HA 0.639 4.764 4.120 0.007 0.000 0.304 90 V C -0.197 175.683 176.094 -0.356 0.000 1.071 90 V CA -1.071 61.013 62.300 -0.359 0.000 0.894 90 V CB 1.424 32.858 31.823 -0.648 0.000 1.008 90 V HN 0.984 nan 8.190 nan 0.000 0.425 91 A N 5.948 128.572 122.820 -0.327 0.000 2.320 91 A HA 0.772 5.096 4.320 0.007 0.000 0.287 91 A C -0.310 177.143 177.584 -0.217 0.000 1.181 91 A CA -0.329 51.503 52.037 -0.341 0.000 0.831 91 A CB 0.121 18.817 19.000 -0.507 0.000 1.102 91 A HN 0.650 nan 8.150 nan 0.000 0.513 92 I N 2.468 122.930 120.570 -0.181 0.000 2.304 92 I HA 0.201 4.375 4.170 0.007 0.000 0.291 92 I C 0.078 176.214 176.117 0.032 0.000 1.018 92 I CA -0.285 60.961 61.300 -0.089 0.000 1.260 92 I CB 0.521 38.444 38.000 -0.128 0.000 1.390 92 I HN 0.635 nan 8.210 nan 0.000 0.475 93 C N 7.799 127.187 119.300 0.146 0.000 2.303 93 C HA 0.577 5.041 4.460 0.007 0.000 0.326 93 C C 0.164 175.249 174.990 0.158 0.000 1.285 93 C CA -0.217 58.886 59.018 0.142 0.000 1.675 93 C CB 0.434 28.273 27.740 0.164 0.000 2.289 93 C HN 0.766 nan 8.230 nan 0.000 0.512 94 E N 3.066 123.318 120.200 0.087 0.000 2.281 94 E HA 0.357 4.712 4.350 0.007 0.000 0.262 94 E C -0.956 175.629 176.600 -0.024 0.000 0.933 94 E CA -0.528 55.908 56.400 0.059 0.000 0.809 94 E CB 1.312 31.058 29.700 0.077 0.000 1.242 94 E HN 0.713 nan 8.360 nan 0.000 0.418 95 Q N 1.068 120.837 119.800 -0.052 0.000 2.279 95 Q HA 0.263 4.607 4.340 0.007 0.000 0.256 95 Q C 0.687 176.669 176.000 -0.030 0.000 0.937 95 Q CA -0.337 55.431 55.803 -0.058 0.000 0.933 95 Q CB 1.235 29.927 28.738 -0.078 0.000 1.189 95 Q HN 0.365 nan 8.270 nan 0.000 0.417 96 I N 0.758 121.319 120.570 -0.016 0.000 2.810 96 I HA 0.094 4.268 4.170 0.007 0.000 0.262 96 I C 1.179 177.291 176.117 -0.009 0.000 1.131 96 I CA 0.711 62.008 61.300 -0.006 0.000 1.453 96 I CB -0.917 37.087 38.000 0.006 0.000 1.161 96 I HN 0.613 nan 8.210 nan 0.000 0.444 97 G N 0.436 109.230 108.800 -0.009 0.000 2.522 97 G HA2 0.225 4.189 3.960 0.007 0.000 0.304 97 G HA3 0.225 4.189 3.960 0.007 0.000 0.304 97 G C -1.042 173.848 174.900 -0.016 0.000 1.210 97 G CA -0.116 44.979 45.100 -0.008 0.000 0.960 97 G HN 0.095 nan 8.290 nan 0.000 0.497 98 D N -0.110 120.282 120.400 -0.014 0.000 2.316 98 D HA 0.316 4.961 4.640 0.007 0.000 0.245 98 D C -1.316 174.975 176.300 -0.014 0.000 1.171 98 D CA -2.127 51.862 54.000 -0.018 0.000 0.856 98 D CB 1.756 42.546 40.800 -0.016 0.000 1.090 98 D HN -0.085 nan 8.370 nan 0.000 0.476 99 P HA -0.087 nan 4.420 nan 0.000 0.219 99 P C 0.856 178.150 177.300 -0.010 0.000 1.146 99 P CA 0.992 64.084 63.100 -0.013 0.000 0.808 99 P CB 0.192 31.880 31.700 -0.019 0.000 0.779 100 A N -0.544 122.268 122.820 -0.013 0.000 2.067 100 A HA -0.095 4.230 4.320 0.007 0.000 0.219 100 A C 1.855 179.435 177.584 -0.006 0.000 1.158 100 A CA 2.023 54.054 52.037 -0.010 0.000 0.661 100 A CB -1.436 17.556 19.000 -0.013 0.000 0.801 100 A HN 0.352 nan 8.150 nan 0.000 0.452 101 T N -3.857 110.694 114.554 -0.005 0.000 3.182 101 T HA 0.382 4.736 4.350 0.007 0.000 0.277 101 T C 0.123 174.824 174.700 0.002 0.000 1.013 101 T CA 0.088 62.187 62.100 -0.002 0.000 0.900 101 T CB 0.026 68.892 68.868 -0.003 0.000 1.098 101 T HN 0.038 nan 8.240 nan 0.000 0.543 102 S N 1.460 117.162 115.700 0.003 0.000 2.433 102 S HA 0.431 4.906 4.470 0.007 0.000 0.310 102 S C 0.922 175.528 174.600 0.010 0.000 1.097 102 S CA -0.894 57.311 58.200 0.009 0.000 1.103 102 S CB 2.129 65.335 63.200 0.010 0.000 0.992 102 S HN 0.420 nan 8.310 nan 0.000 0.469 103 K N 3.381 123.789 120.400 0.013 0.000 1.985 103 K HA -0.001 4.323 4.320 0.007 0.000 0.210 103 K C 1.223 177.832 176.600 0.015 0.000 1.047 103 K CA 1.447 57.742 56.287 0.013 0.000 0.932 103 K CB -0.517 31.992 32.500 0.015 0.000 0.716 103 K HN 0.721 nan 8.250 nan 0.000 0.439 104 G N 0.001 108.814 108.800 0.022 0.000 2.630 104 G HA2 0.328 4.293 3.960 0.007 0.000 0.223 104 G HA3 0.328 4.293 3.960 0.007 0.000 0.223 104 G C -2.339 172.579 174.900 0.030 0.000 1.434 104 G CA -1.016 44.099 45.100 0.026 0.000 1.057 104 G HN 0.149 nan 8.290 nan 0.000 0.570 105 P HA 0.223 nan 4.420 nan 0.000 0.265 105 P C -0.143 177.189 177.300 0.054 0.000 1.193 105 P CA -0.310 62.824 63.100 0.057 0.000 0.765 105 P CB 0.818 32.569 31.700 0.085 0.000 0.823 106 V N 2.803 122.742 119.914 0.042 0.000 2.775 106 V HA 0.025 4.149 4.120 0.007 0.000 0.299 106 V C 1.010 177.125 176.094 0.034 0.000 1.062 106 V CA -0.397 61.919 62.300 0.027 0.000 1.063 106 V CB 0.311 32.137 31.823 0.006 0.000 0.994 106 V HN 0.603 nan 8.190 nan 0.000 0.483 107 E N 4.075 124.293 120.200 0.030 0.000 2.608 107 E HA -0.032 4.323 4.350 0.007 0.000 0.259 107 E C -0.426 176.188 176.600 0.022 0.000 0.951 107 E CA 0.218 56.639 56.400 0.034 0.000 0.945 107 E CB 0.349 30.064 29.700 0.025 0.000 0.916 107 E HN 0.462 nan 8.360 nan 0.000 0.477 108 R N 4.510 125.032 120.500 0.037 0.000 2.483 108 R HA 0.305 4.649 4.340 0.007 0.000 0.303 108 R C -0.741 175.588 176.300 0.048 0.000 0.987 108 R CA -0.731 55.377 56.100 0.014 0.000 0.881 108 R CB 1.703 31.990 30.300 -0.023 0.000 1.177 108 R HN 0.430 nan 8.270 nan 0.000 0.451 109 K N 1.372 121.796 120.400 0.040 0.000 2.156 109 K HA 0.405 4.730 4.320 0.007 0.000 0.250 109 K C -0.273 176.370 176.600 0.072 0.000 0.955 109 K CA -0.793 55.529 56.287 0.058 0.000 0.855 109 K CB 2.365 34.890 32.500 0.043 0.000 1.101 109 K HN 0.153 nan 8.250 nan 0.000 0.434 110 V N 3.735 123.709 119.914 0.100 0.000 2.455 110 V HA -0.019 4.105 4.120 0.007 0.000 0.273 110 V C 1.156 177.279 176.094 0.047 0.000 1.045 110 V CA -0.016 62.338 62.300 0.089 0.000 0.976 110 V CB 0.948 32.867 31.823 0.159 0.000 0.993 110 V HN 0.743 nan 8.190 nan 0.000 0.475 111 V N 3.012 122.940 119.914 0.024 0.000 3.125 111 V HA 0.359 4.483 4.120 0.007 0.000 0.249 111 V C 0.681 176.763 176.094 -0.020 0.000 1.113 111 V CA 0.604 62.911 62.300 0.012 0.000 1.106 111 V CB -0.434 31.405 31.823 0.027 0.000 0.768 111 V HN 0.927 nan 8.190 nan 0.000 0.468 112 R N -0.079 120.391 120.500 -0.050 0.000 2.690 112 R HA 0.597 4.941 4.340 0.007 0.000 0.269 112 R C -2.094 174.115 176.300 -0.152 0.000 1.037 112 R CA -0.928 55.117 56.100 -0.091 0.000 0.877 112 R CB 1.375 31.630 30.300 -0.075 0.000 1.255 112 R HN 0.199 nan 8.270 nan 0.000 0.467 113 I N 2.282 122.742 120.570 -0.184 0.000 2.418 113 I HA 0.278 4.452 4.170 0.007 0.000 0.287 113 I C -0.225 175.776 176.117 -0.193 0.000 1.008 113 I CA -1.399 59.761 61.300 -0.233 0.000 1.104 113 I CB 2.228 40.057 38.000 -0.284 0.000 1.264 113 I HN 0.296 nan 8.210 nan 0.000 0.438 114 V N 5.498 125.297 119.914 -0.191 0.000 2.387 114 V HA 0.209 4.333 4.120 0.007 0.000 0.260 114 V C 0.665 176.687 176.094 -0.120 0.000 1.054 114 V CA -0.037 62.174 62.300 -0.148 0.000 0.967 114 V CB 0.536 32.260 31.823 -0.165 0.000 1.036 114 V HN 0.894 nan 8.190 nan 0.000 0.481 115 T N 2.962 117.474 114.554 -0.070 0.000 2.924 115 T HA 0.522 4.876 4.350 0.007 0.000 0.291 115 T C -2.120 172.586 174.700 0.009 0.000 1.045 115 T CA -2.259 59.837 62.100 -0.007 0.000 1.015 115 T CB 2.457 71.376 68.868 0.086 0.000 1.103 115 T HN 0.288 nan 8.240 nan 0.000 0.496 116 P HA 0.115 nan 4.420 nan 0.000 0.220 116 P C 1.375 178.680 177.300 0.008 0.000 1.148 116 P CA 0.829 63.932 63.100 0.006 0.000 0.803 116 P CB -0.169 31.535 31.700 0.006 0.000 0.782 117 G N -1.470 107.346 108.800 0.027 0.000 3.088 117 G HA2 0.008 3.972 3.960 0.007 0.000 0.217 117 G HA3 0.008 3.972 3.960 0.007 0.000 0.217 117 G C 0.696 175.608 174.900 0.019 0.000 1.159 117 G CA 0.454 45.563 45.100 0.016 0.000 0.760 117 G HN 0.346 nan 8.290 nan 0.000 0.550 118 T N -1.054 113.514 114.554 0.023 0.000 3.252 118 T HA 0.401 4.755 4.350 0.007 0.000 0.286 118 T C 0.615 175.303 174.700 -0.020 0.000 1.013 118 T CA -0.585 61.515 62.100 -0.000 0.000 0.914 118 T CB -0.466 68.398 68.868 -0.006 0.000 1.131 118 T HN 0.267 nan 8.240 nan 0.000 0.529 119 I N 0.174 120.733 120.570 -0.018 0.000 2.428 119 I HA 0.648 4.823 4.170 0.007 0.000 0.289 119 I C 0.951 177.058 176.117 -0.017 0.000 1.019 119 I CA -0.679 60.607 61.300 -0.024 0.000 1.351 119 I CB 1.403 39.389 38.000 -0.024 0.000 1.412 119 I HN 0.137 nan 8.210 nan 0.000 0.513 120 S N 1.450 117.140 115.700 -0.017 0.000 2.687 120 S HA 0.228 4.702 4.470 0.007 0.000 0.247 120 S C 0.163 174.754 174.600 -0.014 0.000 1.050 120 S CA -0.535 57.658 58.200 -0.010 0.000 1.063 120 S CB -0.105 63.091 63.200 -0.007 0.000 1.039 120 S HN 0.705 nan 8.310 nan 0.000 0.580 121 D N 2.486 122.877 120.400 -0.015 0.000 2.345 121 D HA 0.153 4.797 4.640 0.007 0.000 0.247 121 D C 0.899 177.193 176.300 -0.011 0.000 1.108 121 D CA -0.047 53.946 54.000 -0.011 0.000 0.894 121 D CB 1.278 42.072 40.800 -0.010 0.000 1.203 121 D HN 0.389 nan 8.370 nan 0.000 0.430 122 E N 1.594 121.789 120.200 -0.009 0.000 2.153 122 E HA -0.182 4.173 4.350 0.007 0.000 0.194 122 E C 1.397 177.989 176.600 -0.013 0.000 0.988 122 E CA 0.815 57.208 56.400 -0.011 0.000 0.811 122 E CB 0.162 29.856 29.700 -0.010 0.000 0.746 122 E HN 0.498 nan 8.360 nan 0.000 0.466 123 A N 0.201 123.013 122.820 -0.013 0.000 2.208 123 A HA 0.069 4.394 4.320 0.007 0.000 0.209 123 A C 1.708 179.281 177.584 -0.018 0.000 1.161 123 A CA 0.243 52.270 52.037 -0.016 0.000 0.782 123 A CB -0.056 18.933 19.000 -0.018 0.000 0.816 123 A HN 0.271 nan 8.150 nan 0.000 0.477 124 L N -1.292 119.921 121.223 -0.016 0.000 2.664 124 L HA 0.362 4.706 4.340 0.007 0.000 0.233 124 L C 0.092 176.953 176.870 -0.016 0.000 1.113 124 L CA -0.087 54.742 54.840 -0.017 0.000 0.896 124 L CB -0.151 41.896 42.059 -0.020 0.000 1.163 124 L HN 0.158 nan 8.230 nan 0.000 0.497 125 L N -0.433 120.782 121.223 -0.014 0.000 2.304 125 L HA 0.440 4.784 4.340 0.007 0.000 0.268 125 L C -0.124 176.738 176.870 -0.012 0.000 1.010 125 L CA -0.559 54.273 54.840 -0.013 0.000 0.813 125 L CB 1.502 43.553 42.059 -0.013 0.000 1.315 125 L HN 0.004 nan 8.230 nan 0.000 0.445 126 Q N 0.548 120.341 119.800 -0.011 0.000 2.256 126 Q HA 0.216 4.560 4.340 0.007 0.000 0.257 126 Q C 0.102 176.095 176.000 -0.011 0.000 0.936 126 Q CA -0.468 55.329 55.803 -0.010 0.000 0.903 126 Q CB 2.451 31.184 28.738 -0.008 0.000 1.263 126 Q HN 0.576 nan 8.270 nan 0.000 0.440 127 E N 1.500 121.693 120.200 -0.011 0.000 2.051 127 E HA -0.178 4.177 4.350 0.007 0.000 0.192 127 E C 0.749 177.341 176.600 -0.014 0.000 0.991 127 E CA 1.180 57.573 56.400 -0.013 0.000 0.799 127 E CB 0.271 29.963 29.700 -0.013 0.000 0.748 127 E HN 0.380 nan 8.360 nan 0.000 0.449 128 R N 0.187 120.680 120.500 -0.012 0.000 2.466 128 R HA 0.192 4.536 4.340 0.007 0.000 0.279 128 R C 0.071 176.366 176.300 -0.009 0.000 0.976 128 R CA -0.004 56.088 56.100 -0.013 0.000 1.081 128 R CB 0.538 30.831 30.300 -0.012 0.000 1.215 128 R HN 0.086 nan 8.270 nan 0.000 0.546 129 Q N 0.559 120.354 119.800 -0.008 0.000 2.353 129 Q HA 0.208 4.552 4.340 0.007 0.000 0.268 129 Q C -1.125 174.869 176.000 -0.009 0.000 1.045 129 Q CA -0.704 55.096 55.803 -0.006 0.000 0.811 129 Q CB 2.306 31.042 28.738 -0.004 0.000 1.305 129 Q HN 0.024 nan 8.270 nan 0.000 0.447 130 D N 1.356 121.750 120.400 -0.009 0.000 2.362 130 D HA 0.079 4.723 4.640 0.007 0.000 0.242 130 D C -0.612 175.680 176.300 -0.013 0.000 1.132 130 D CA 0.366 54.359 54.000 -0.011 0.000 0.907 130 D CB 0.812 41.607 40.800 -0.008 0.000 1.195 130 D HN 0.363 nan 8.370 nan 0.000 0.429 131 N N 1.427 120.118 118.700 -0.014 0.000 2.576 131 N HA 0.285 5.029 4.740 0.007 0.000 0.269 131 N C -1.329 174.169 175.510 -0.020 0.000 1.058 131 N CA -0.334 52.707 53.050 -0.015 0.000 0.860 131 N CB 0.654 39.133 38.487 -0.014 0.000 1.249 131 N HN 0.191 nan 8.380 nan 0.000 0.525 132 L N 2.636 123.847 121.223 -0.020 0.000 2.307 132 L HA 0.520 4.865 4.340 0.007 0.000 0.284 132 L C -0.292 176.557 176.870 -0.035 0.000 1.023 132 L CA -1.163 53.660 54.840 -0.028 0.000 0.810 132 L CB 1.416 43.464 42.059 -0.019 0.000 1.231 132 L HN 0.329 nan 8.230 nan 0.000 0.423 133 L N 3.456 124.648 121.223 -0.052 0.000 2.436 133 L HA 0.716 5.060 4.340 0.007 0.000 0.265 133 L C -0.054 176.756 176.870 -0.099 0.000 1.168 133 L CA 0.414 55.214 54.840 -0.067 0.000 0.815 133 L CB 1.247 43.269 42.059 -0.061 0.000 1.109 133 L HN 0.748 nan 8.230 nan 0.000 0.462 134 A N 3.247 125.997 122.820 -0.117 0.000 2.594 134 A HA 0.958 5.282 4.320 0.007 0.000 0.291 134 A C -1.554 175.949 177.584 -0.135 0.000 1.105 134 A CA -0.169 51.764 52.037 -0.172 0.000 0.694 134 A CB 1.442 20.364 19.000 -0.128 0.000 1.291 134 A HN 1.238 nan 8.150 nan 0.000 0.410 135 A N 0.570 123.305 122.820 -0.141 0.000 2.398 135 A HA 0.768 5.092 4.320 0.007 0.000 0.301 135 A C -1.006 176.718 177.584 0.233 0.000 1.041 135 A CA -0.271 51.791 52.037 0.042 0.000 0.711 135 A CB 0.841 19.835 19.000 -0.009 0.000 1.240 135 A HN 1.386 nan 8.150 nan 0.000 0.420 136 I N 2.444 123.256 120.570 0.404 0.000 2.892 136 I HA 0.861 5.036 4.170 0.007 0.000 0.306 136 I C -1.637 174.849 176.117 0.614 0.000 1.078 136 I CA -0.742 60.881 61.300 0.539 0.000 1.032 136 I CB 1.910 40.114 38.000 0.340 0.000 1.229 136 I HN 0.884 nan 8.210 nan 0.000 0.435 137 W N 7.597 129.190 121.300 0.488 0.000 3.645 137 W HA 0.400 5.060 4.660 0.000 0.000 0.285 137 W C -2.704 174.056 176.519 0.401 0.000 1.266 137 W CA -0.556 56.990 57.345 0.336 0.000 1.212 137 W CB 1.299 30.823 29.460 0.106 0.000 1.306 137 W HN 0.647 nan 8.180 nan 0.000 0.552 138 Q N 3.782 123.294 119.800 -0.480 0.000 2.372 138 Q HA 0.436 4.780 4.340 0.007 0.000 0.273 138 Q C -1.274 174.018 176.000 -1.181 0.000 1.078 138 Q CA -0.253 54.995 55.803 -0.925 0.000 0.806 138 Q CB 2.915 31.018 28.738 -1.059 0.000 1.332 138 Q HN 0.604 nan 8.270 nan 0.000 0.435 139 D N -0.168 119.617 120.400 -1.024 0.000 2.614 139 D HA 0.341 4.986 4.640 0.007 0.000 0.264 139 D C 0.819 176.814 176.300 -0.509 0.000 1.092 139 D CA -0.048 53.530 54.000 -0.703 0.000 1.071 139 D CB 0.877 41.325 40.800 -0.586 0.000 1.443 139 D HN 0.477 nan 8.370 nan 0.000 0.528 140 S N 0.648 116.142 115.700 -0.342 0.000 2.444 140 S HA -0.457 4.018 4.470 0.007 0.000 0.274 140 S C 1.465 175.902 174.600 -0.273 0.000 1.130 140 S CA 1.812 59.857 58.200 -0.259 0.000 1.243 140 S CB -0.982 62.117 63.200 -0.167 0.000 1.166 140 S HN 0.624 nan 8.310 nan 0.000 0.439 141 K N 1.516 121.773 120.400 -0.240 0.000 2.067 141 K HA 0.329 4.653 4.320 0.007 0.000 0.203 141 K C 1.427 177.887 176.600 -0.233 0.000 1.048 141 K CA 0.860 57.035 56.287 -0.186 0.000 0.954 141 K CB -0.208 32.225 32.500 -0.111 0.000 0.737 141 K HN 0.575 nan 8.250 nan 0.000 0.444 142 G N -0.657 107.950 108.800 -0.322 0.000 2.677 142 G HA2 0.477 4.441 3.960 0.007 0.000 0.283 142 G HA3 0.477 4.441 3.960 0.007 0.000 0.283 142 G C -1.561 172.985 174.900 -0.590 0.000 1.221 142 G CA -0.833 44.051 45.100 -0.360 0.000 0.851 142 G HN 0.013 nan 8.290 nan 0.000 0.504 143 F N -0.110 119.802 119.950 -0.064 0.000 2.579 143 F HA 0.716 5.247 4.527 0.007 0.000 0.324 143 F C 0.745 176.641 175.800 0.160 0.000 1.058 143 F CA -0.473 57.523 58.000 -0.007 0.000 0.944 143 F CB 2.546 41.578 39.000 0.054 0.000 1.245 143 F HN 0.655 nan 8.300 nan 0.000 0.477 144 G N 0.293 109.432 108.800 0.566 0.000 2.432 144 G HA2 0.564 4.528 3.960 0.007 0.000 0.331 144 G HA3 0.564 4.528 3.960 0.007 0.000 0.331 144 G C -2.567 172.722 174.900 0.649 0.000 1.170 144 G CA -0.612 44.865 45.100 0.629 0.000 0.943 144 G HN 0.560 nan 8.290 nan 0.000 0.483 145 Y N 0.309 120.790 120.300 0.302 0.000 2.436 145 Y HA 0.604 5.157 4.550 0.005 0.000 0.327 145 Y C -0.639 175.356 175.900 0.158 0.000 1.138 145 Y CA -0.874 57.359 58.100 0.222 0.000 1.042 145 Y CB 1.683 40.235 38.460 0.152 0.000 1.302 145 Y HN 0.930 nan 8.280 nan 0.000 0.439 146 A N 2.953 125.559 122.820 -0.356 0.000 2.454 146 A HA 0.898 5.222 4.320 0.007 0.000 0.302 146 A C -0.878 176.442 177.584 -0.441 0.000 1.079 146 A CA -0.283 51.605 52.037 -0.247 0.000 0.731 146 A CB 1.401 20.410 19.000 0.015 0.000 1.299 146 A HN 0.916 nan 8.150 nan 0.000 0.413 147 T N -0.892 113.563 114.554 -0.166 0.000 2.893 147 T HA 0.660 5.014 4.350 0.007 0.000 0.293 147 T C -1.119 173.601 174.700 0.032 0.000 1.027 147 T CA -0.579 61.452 62.100 -0.115 0.000 0.988 147 T CB 1.303 70.118 68.868 -0.090 0.000 1.043 147 T HN 1.170 nan 8.240 nan 0.000 0.461 148 L N 1.959 123.135 121.223 -0.078 0.000 2.385 148 L HA 0.685 5.029 4.340 0.007 0.000 0.273 148 L C -1.298 175.504 176.870 -0.114 0.000 0.990 148 L CA -0.408 54.337 54.840 -0.159 0.000 0.821 148 L CB 1.993 43.831 42.059 -0.369 0.000 1.279 148 L HN 0.868 nan 8.230 nan 0.000 0.412 149 D N 4.231 124.570 120.400 -0.101 0.000 2.467 149 D HA 0.110 4.754 4.640 0.007 0.000 0.220 149 D C 1.066 177.291 176.300 -0.125 0.000 1.103 149 D CA -0.122 53.829 54.000 -0.081 0.000 0.886 149 D CB 0.593 41.365 40.800 -0.047 0.000 1.025 149 D HN 0.621 nan 8.370 nan 0.000 0.514 150 I N 2.971 123.477 120.570 -0.107 0.000 2.335 150 I HA -0.199 3.975 4.170 0.007 0.000 0.251 150 I C 1.598 177.714 176.117 -0.001 0.000 1.129 150 I CA 1.254 62.502 61.300 -0.086 0.000 1.402 150 I CB 0.136 38.118 38.000 -0.029 0.000 1.069 150 I HN 0.392 nan 8.210 nan 0.000 0.424 151 S N -1.436 114.261 115.700 -0.004 0.000 2.677 151 S HA 0.177 4.652 4.470 0.007 0.000 0.246 151 S C 1.011 175.620 174.600 0.015 0.000 1.005 151 S CA 0.289 58.510 58.200 0.034 0.000 1.062 151 S CB -0.386 62.821 63.200 0.012 0.000 0.778 151 S HN 0.587 nan 8.310 nan 0.000 0.461 152 S N -1.546 114.124 115.700 -0.049 0.000 2.302 152 S HA 0.403 4.877 4.470 0.007 0.000 0.258 152 S C 1.399 175.909 174.600 -0.149 0.000 0.957 152 S CA 0.572 58.740 58.200 -0.054 0.000 1.330 152 S CB -0.546 62.635 63.200 -0.031 0.000 0.982 152 S HN 1.646 nan 8.310 nan 0.000 0.459 153 G N 1.905 110.520 108.800 -0.309 0.000 2.213 153 G HA2 -0.239 3.725 3.960 0.007 0.000 0.236 153 G HA3 -0.239 3.725 3.960 0.007 0.000 0.236 153 G C 0.065 174.899 174.900 -0.111 0.000 0.991 153 G CA 0.054 44.956 45.100 -0.329 0.000 0.629 153 G HN 0.625 nan 8.290 nan 0.000 0.517 154 R N 0.471 120.939 120.500 -0.053 0.000 2.543 154 R HA 0.249 4.594 4.340 0.007 0.000 0.348 154 R C -0.807 175.550 176.300 0.094 0.000 0.981 154 R CA -0.035 56.082 56.100 0.027 0.000 1.019 154 R CB -0.333 29.984 30.300 0.028 0.000 0.944 154 R HN 0.093 nan 8.270 nan 0.000 0.425 155 F N 4.670 124.584 119.950 -0.061 0.000 2.426 155 F HA 0.451 4.984 4.527 0.011 0.000 0.348 155 F C -0.384 175.388 175.800 -0.047 0.000 1.124 155 F CA -1.150 56.818 58.000 -0.053 0.000 1.008 155 F CB 0.864 39.849 39.000 -0.025 0.000 1.139 155 F HN 0.335 nan 8.300 nan 0.000 0.452 156 R N 5.409 126.036 120.500 0.213 0.000 2.854 156 R HA 0.671 5.016 4.340 0.007 0.000 0.271 156 R C -1.685 174.587 176.300 -0.045 0.000 0.994 156 R CA -1.095 55.018 56.100 0.021 0.000 0.945 156 R CB 2.797 33.132 30.300 0.058 0.000 1.194 156 R HN 0.818 nan 8.270 nan 0.000 0.476 157 L N 0.136 121.331 121.223 -0.048 0.000 2.455 157 L HA 0.616 4.961 4.340 0.007 0.000 0.264 157 L C -1.086 175.820 176.870 0.059 0.000 0.968 157 L CA -0.214 54.611 54.840 -0.025 0.000 0.827 157 L CB 2.120 44.119 42.059 -0.100 0.000 1.317 157 L HN 0.892 nan 8.230 nan 0.000 0.407 158 S N 1.972 117.756 115.700 0.139 0.000 2.607 158 S HA 0.573 5.048 4.470 0.007 0.000 0.273 158 S C -1.037 173.685 174.600 0.204 0.000 1.148 158 S CA -0.841 57.454 58.200 0.160 0.000 0.833 158 S CB 2.062 65.365 63.200 0.171 0.000 1.130 158 S HN 0.738 nan 8.310 nan 0.000 0.470 159 E N 1.108 121.407 120.200 0.165 0.000 3.651 159 E HA 0.300 4.655 4.350 0.007 0.000 0.220 159 E C -2.771 173.924 176.600 0.160 0.000 1.222 159 E CA -1.677 54.834 56.400 0.186 0.000 1.114 159 E CB 0.812 30.602 29.700 0.150 0.000 1.278 159 E HN 0.411 nan 8.360 nan 0.000 0.412 160 P HA -0.088 nan 4.420 nan 0.000 0.262 160 P C 0.520 177.928 177.300 0.180 0.000 1.182 160 P CA 0.269 63.425 63.100 0.093 0.000 0.761 160 P CB 1.018 32.693 31.700 -0.040 0.000 0.795 161 A N 3.600 126.491 122.820 0.119 0.000 1.898 161 A HA -0.062 4.262 4.320 0.007 0.000 0.216 161 A C 0.739 178.427 177.584 0.173 0.000 1.181 161 A CA 1.621 53.729 52.037 0.120 0.000 0.620 161 A CB -0.596 18.445 19.000 0.067 0.000 0.819 161 A HN 0.671 nan 8.150 nan 0.000 0.442 162 D N -3.933 116.573 120.400 0.177 0.000 2.592 162 D HA 0.276 4.920 4.640 0.007 0.000 0.263 162 D C 0.641 177.059 176.300 0.198 0.000 1.132 162 D CA -0.773 53.346 54.000 0.198 0.000 0.996 162 D CB 0.537 41.391 40.800 0.089 0.000 1.442 162 D HN -0.021 nan 8.370 nan 0.000 0.486 163 R N -0.394 120.223 120.500 0.195 0.000 2.119 163 R HA -0.214 4.130 4.340 0.007 0.000 0.246 163 R C 0.961 177.223 176.300 -0.063 0.000 1.146 163 R CA 1.900 58.047 56.100 0.078 0.000 0.962 163 R CB 0.017 30.364 30.300 0.079 0.000 0.863 163 R HN 0.485 nan 8.270 nan 0.000 0.442 164 E N -1.275 118.914 120.200 -0.019 0.000 2.170 164 E HA -0.030 4.324 4.350 0.007 0.000 0.191 164 E C 1.833 178.394 176.600 -0.065 0.000 0.981 164 E CA 1.383 57.768 56.400 -0.026 0.000 0.830 164 E CB 0.055 29.775 29.700 0.033 0.000 0.775 164 E HN 0.255 nan 8.360 nan 0.000 0.470 165 T N 0.639 115.151 114.554 -0.070 0.000 2.812 165 T HA -0.111 4.243 4.350 0.007 0.000 0.264 165 T C 1.700 176.283 174.700 -0.195 0.000 1.042 165 T CA 1.113 63.154 62.100 -0.099 0.000 1.140 165 T CB -0.161 68.675 68.868 -0.053 0.000 0.870 165 T HN 0.055 nan 8.240 nan 0.000 0.445 166 M N 2.012 121.420 119.600 -0.319 0.000 2.159 166 M HA 0.092 4.576 4.480 0.007 0.000 0.263 166 M C 2.243 178.297 176.300 -0.410 0.000 1.063 166 M CA 1.182 56.161 55.300 -0.534 0.000 1.110 166 M CB -0.931 31.009 32.600 -1.099 0.000 1.374 166 M HN 0.211 nan 8.290 nan 0.000 0.411 167 A N -0.513 122.140 122.820 -0.278 0.000 1.873 167 A HA 0.095 4.419 4.320 0.007 0.000 0.215 167 A C 2.313 179.803 177.584 -0.156 0.000 1.186 167 A CA 1.925 53.851 52.037 -0.185 0.000 0.616 167 A CB -1.374 17.558 19.000 -0.112 0.000 0.823 167 A HN 0.610 nan 8.150 nan 0.000 0.442 168 A N -0.993 121.745 122.820 -0.136 0.000 2.121 168 A HA -0.050 4.275 4.320 0.007 0.000 0.218 168 A C 1.917 179.433 177.584 -0.114 0.000 1.154 168 A CA 1.404 53.381 52.037 -0.099 0.000 0.679 168 A CB -0.260 18.691 19.000 -0.082 0.000 0.795 168 A HN 0.473 nan 8.150 nan 0.000 0.458 169 E N -0.044 120.044 120.200 -0.188 0.000 2.086 169 E HA -0.004 4.351 4.350 0.007 0.000 0.190 169 E C 1.989 178.456 176.600 -0.221 0.000 0.975 169 E CA 0.521 56.795 56.400 -0.209 0.000 0.813 169 E CB -0.279 29.215 29.700 -0.343 0.000 0.768 169 E HN 0.662 nan 8.360 nan 0.000 0.457 170 L N 0.888 121.932 121.223 -0.298 0.000 2.127 170 L HA -0.236 4.108 4.340 0.007 0.000 0.211 170 L C 2.696 179.512 176.870 -0.090 0.000 1.089 170 L CA 1.181 55.916 54.840 -0.176 0.000 0.757 170 L CB -0.294 41.655 42.059 -0.183 0.000 0.899 170 L HN 0.134 nan 8.230 nan 0.000 0.434 171 Q N 0.405 120.149 119.800 -0.093 0.000 2.083 171 Q HA -0.206 4.138 4.340 0.007 0.000 0.198 171 Q C 2.326 178.270 176.000 -0.094 0.000 0.969 171 Q CA 1.463 57.227 55.803 -0.065 0.000 0.838 171 Q CB -0.073 28.642 28.738 -0.040 0.000 0.900 171 Q HN 0.253 nan 8.270 nan 0.000 0.436 172 R N -0.663 119.780 120.500 -0.094 0.000 2.115 172 R HA -0.076 4.268 4.340 0.007 0.000 0.226 172 R C 1.746 177.942 176.300 -0.173 0.000 1.100 172 R CA 1.828 57.832 56.100 -0.161 0.000 0.980 172 R CB -0.108 30.176 30.300 -0.027 0.000 0.875 172 R HN 0.518 nan 8.270 nan 0.000 0.445 173 T N -2.520 112.003 114.554 -0.050 0.000 3.039 173 T HA -0.002 4.352 4.350 0.007 0.000 0.250 173 T C 0.711 175.406 174.700 -0.009 0.000 1.052 173 T CA 0.367 62.474 62.100 0.012 0.000 1.125 173 T CB -0.188 68.774 68.868 0.156 0.000 0.908 173 T HN 0.324 nan 8.240 nan 0.000 0.473 174 N N 2.395 121.086 118.700 -0.015 0.000 2.696 174 N HA -0.091 4.653 4.740 0.007 0.000 0.256 174 N C -2.668 172.841 175.510 -0.002 0.000 1.031 174 N CA 0.344 53.380 53.050 -0.023 0.000 0.730 174 N CB -0.952 37.501 38.487 -0.057 0.000 0.894 174 N HN 0.382 nan 8.380 nan 0.000 0.544 175 P HA 0.143 nan 4.420 nan 0.000 0.269 175 P C 0.396 177.697 177.300 0.001 0.000 1.209 175 P CA 0.234 63.345 63.100 0.018 0.000 0.776 175 P CB 0.768 32.493 31.700 0.042 0.000 0.876 176 A N 2.013 124.829 122.820 -0.007 0.000 2.030 176 A HA 0.004 4.328 4.320 0.007 0.000 0.215 176 A C 0.911 178.490 177.584 -0.008 0.000 1.164 176 A CA 0.928 52.961 52.037 -0.007 0.000 0.697 176 A CB -0.325 18.671 19.000 -0.008 0.000 0.827 176 A HN 0.668 nan 8.150 nan 0.000 0.457 177 E N -0.567 119.623 120.200 -0.017 0.000 2.256 177 E HA 0.502 4.856 4.350 0.007 0.000 0.268 177 E C -2.085 174.482 176.600 -0.055 0.000 0.877 177 E CA -0.686 55.695 56.400 -0.032 0.000 0.757 177 E CB 1.551 31.234 29.700 -0.027 0.000 1.183 177 E HN 0.126 nan 8.360 nan 0.000 0.418 178 L N 6.203 127.399 121.223 -0.045 0.000 2.345 178 L HA 0.423 4.767 4.340 0.007 0.000 0.274 178 L C -1.646 175.214 176.870 -0.016 0.000 0.999 178 L CA -0.475 54.353 54.840 -0.020 0.000 0.849 178 L CB 1.070 43.138 42.059 0.014 0.000 1.220 178 L HN 0.584 nan 8.230 nan 0.000 0.422 179 L N 6.361 127.537 121.223 -0.080 0.000 2.319 179 L HA 0.392 4.736 4.340 0.007 0.000 0.280 179 L C -0.773 176.187 176.870 0.150 0.000 1.099 179 L CA -0.500 54.292 54.840 -0.080 0.000 0.828 179 L CB 0.325 42.240 42.059 -0.241 0.000 1.150 179 L HN 0.684 nan 8.230 nan 0.000 0.442 180 Y N 1.937 122.242 120.300 0.009 0.000 2.492 180 Y HA 0.795 5.348 4.550 0.006 0.000 0.346 180 Y C -0.344 175.533 175.900 -0.039 0.000 0.997 180 Y CA -1.375 56.698 58.100 -0.045 0.000 1.025 180 Y CB 1.217 39.490 38.460 -0.312 0.000 1.263 180 Y HN 0.588 nan 8.280 nan 0.000 0.454 181 A N 3.228 125.920 122.820 -0.213 0.000 2.425 181 A HA 0.203 4.527 4.320 0.007 0.000 0.249 181 A C 1.143 178.663 177.584 -0.105 0.000 1.084 181 A CA 0.036 51.842 52.037 -0.385 0.000 0.781 181 A CB 0.056 18.681 19.000 -0.624 0.000 1.019 181 A HN 1.037 nan 8.150 nan 0.000 0.490 182 E N 1.517 121.641 120.200 -0.127 0.000 2.209 182 E HA -0.233 4.121 4.350 0.007 0.000 0.196 182 E C 0.382 177.044 176.600 0.105 0.000 0.993 182 E CA 1.347 57.725 56.400 -0.036 0.000 0.819 182 E CB -0.189 29.490 29.700 -0.035 0.000 0.745 182 E HN 0.728 nan 8.360 nan 0.000 0.477 183 D N 0.538 120.996 120.400 0.097 0.000 2.352 183 D HA -0.074 4.570 4.640 0.007 0.000 0.236 183 D C -0.395 175.957 176.300 0.086 0.000 1.148 183 D CA -0.563 53.484 54.000 0.079 0.000 0.844 183 D CB -0.724 40.096 40.800 0.033 0.000 0.933 183 D HN 0.098 nan 8.370 nan 0.000 0.507 184 F N 1.335 121.312 119.950 0.046 0.000 2.533 184 F HA 0.321 4.852 4.527 0.008 0.000 0.378 184 F C 1.494 177.291 175.800 -0.004 0.000 1.070 184 F CA -0.330 57.688 58.000 0.029 0.000 1.172 184 F CB 1.132 40.228 39.000 0.160 0.000 1.085 184 F HN 0.058 nan 8.300 nan 0.000 0.552 185 A N 4.154 126.769 122.820 -0.342 0.000 1.898 185 A HA -0.021 4.304 4.320 0.007 0.000 0.214 185 A C 1.240 178.724 177.584 -0.166 0.000 1.183 185 A CA 0.736 52.638 52.037 -0.224 0.000 0.622 185 A CB -0.237 18.594 19.000 -0.281 0.000 0.824 185 A HN 0.610 nan 8.150 nan 0.000 0.444 186 E N 0.926 120.942 120.200 -0.308 0.000 2.028 186 E HA 0.155 4.509 4.350 0.007 0.000 0.275 186 E C 0.355 177.067 176.600 0.186 0.000 1.171 186 E CA -0.239 56.122 56.400 -0.066 0.000 1.186 186 E CB 0.294 29.972 29.700 -0.037 0.000 1.256 186 E HN 0.404 nan 8.360 nan 0.000 0.474 187 M N -0.136 119.557 119.600 0.154 0.000 2.549 187 M HA -0.105 4.379 4.480 0.007 0.000 0.260 187 M C 1.845 178.174 176.300 0.047 0.000 1.076 187 M CA 0.754 56.127 55.300 0.122 0.000 1.090 187 M CB -0.909 31.722 32.600 0.050 0.000 1.418 187 M HN 0.114 nan 8.290 nan 0.000 0.486 188 S N 0.178 115.907 115.700 0.048 0.000 2.447 188 S HA -0.040 4.434 4.470 0.007 0.000 0.233 188 S C 1.906 176.512 174.600 0.011 0.000 1.006 188 S CA 0.730 58.941 58.200 0.018 0.000 0.957 188 S CB -0.702 62.506 63.200 0.014 0.000 0.773 188 S HN 0.494 nan 8.310 nan 0.000 0.507 189 L N -0.571 120.677 121.223 0.041 0.000 2.217 189 L HA 0.135 4.480 4.340 0.007 0.000 0.211 189 L C 1.861 178.702 176.870 -0.048 0.000 1.107 189 L CA 0.712 55.554 54.840 0.004 0.000 0.783 189 L CB -0.249 41.833 42.059 0.038 0.000 0.919 189 L HN 0.286 nan 8.230 nan 0.000 0.442 190 I N -1.424 119.101 120.570 -0.075 0.000 3.883 190 I HA 0.042 4.216 4.170 0.007 0.000 0.305 190 I C 0.937 176.950 176.117 -0.174 0.000 1.247 190 I CA 0.034 61.217 61.300 -0.194 0.000 1.350 190 I CB 0.294 38.036 38.000 -0.431 0.000 1.194 190 I HN 0.014 nan 8.210 nan 0.000 0.441 191 E N 0.795 120.920 120.200 -0.125 0.000 2.452 191 E HA 0.277 4.631 4.350 0.007 0.000 0.261 191 E C 1.121 177.686 176.600 -0.058 0.000 0.987 191 E CA 0.916 57.264 56.400 -0.087 0.000 0.926 191 E CB 0.022 29.693 29.700 -0.048 0.000 0.934 191 E HN 0.412 nan 8.360 nan 0.000 0.452 192 G N 2.921 111.695 108.800 -0.043 0.000 2.179 192 G HA2 -0.339 3.625 3.960 0.007 0.000 0.257 192 G HA3 -0.339 3.625 3.960 0.007 0.000 0.257 192 G C 0.101 174.984 174.900 -0.029 0.000 1.010 192 G CA 0.121 45.205 45.100 -0.026 0.000 0.736 192 G HN 0.423 nan 8.290 nan 0.000 0.513 193 R N 0.164 120.639 120.500 -0.043 0.000 2.500 193 R HA 0.474 4.818 4.340 0.007 0.000 0.277 193 R C 1.236 177.522 176.300 -0.024 0.000 1.026 193 R CA -0.672 55.405 56.100 -0.038 0.000 1.058 193 R CB 0.830 31.096 30.300 -0.057 0.000 1.078 193 R HN 0.563 nan 8.270 nan 0.000 0.509 194 R N 0.032 120.523 120.500 -0.015 0.000 2.637 194 R HA 0.216 4.560 4.340 0.007 0.000 0.269 194 R C 0.329 176.627 176.300 -0.003 0.000 1.089 194 R CA 0.285 56.381 56.100 -0.005 0.000 1.177 194 R CB 0.239 30.537 30.300 -0.004 0.000 1.091 194 R HN 0.747 nan 8.270 nan 0.000 0.540 195 G N 1.001 109.804 108.800 0.004 0.000 2.379 195 G HA2 -0.274 3.690 3.960 0.007 0.000 0.297 195 G HA3 -0.274 3.690 3.960 0.007 0.000 0.297 195 G C -0.266 174.639 174.900 0.007 0.000 1.004 195 G CA 0.439 45.543 45.100 0.007 0.000 0.921 195 G HN 0.507 nan 8.290 nan 0.000 0.511 196 L N 0.095 121.331 121.223 0.022 0.000 2.397 196 L HA 0.651 4.996 4.340 0.007 0.000 0.271 196 L C 0.535 177.461 176.870 0.093 0.000 1.148 196 L CA -0.280 54.594 54.840 0.056 0.000 0.825 196 L CB 0.665 42.749 42.059 0.041 0.000 1.117 196 L HN 0.244 nan 8.230 nan 0.000 0.456 197 R N 4.926 125.503 120.500 0.128 0.000 2.625 197 R HA 0.241 4.586 4.340 0.007 0.000 0.286 197 R C -0.742 175.477 176.300 -0.135 0.000 1.406 197 R CA -0.670 55.438 56.100 0.012 0.000 1.052 197 R CB 1.045 31.283 30.300 -0.103 0.000 1.203 197 R HN 0.653 nan 8.270 nan 0.000 0.502 198 R N 2.306 122.677 120.500 -0.216 0.000 2.484 198 R HA 0.102 4.447 4.340 0.007 0.000 0.293 198 R C -0.321 175.758 176.300 -0.369 0.000 1.023 198 R CA 0.438 56.161 56.100 -0.628 0.000 1.037 198 R CB 0.539 30.643 30.300 -0.325 0.000 0.951 198 R HN 0.297 nan 8.270 nan 0.000 0.418 199 R N 4.707 124.967 120.500 -0.399 0.000 2.750 199 R HA 0.391 4.735 4.340 0.007 0.000 0.281 199 R C -2.495 173.694 176.300 -0.185 0.000 0.972 199 R CA -2.374 53.602 56.100 -0.206 0.000 0.912 199 R CB 1.734 31.980 30.300 -0.090 0.000 1.187 199 R HN 0.534 nan 8.270 nan 0.000 0.464 200 P HA -0.045 nan 4.420 nan 0.000 0.268 200 P C 0.888 178.061 177.300 -0.212 0.000 1.208 200 P CA -0.283 62.657 63.100 -0.267 0.000 0.777 200 P CB 0.575 31.942 31.700 -0.555 0.000 0.875 201 L N 3.299 124.490 121.223 -0.053 0.000 2.083 201 L HA -0.103 4.241 4.340 0.007 0.000 0.209 201 L C 1.975 178.909 176.870 0.108 0.000 1.083 201 L CA 1.530 56.411 54.840 0.069 0.000 0.752 201 L CB -1.452 40.686 42.059 0.132 0.000 0.899 201 L HN 0.583 nan 8.230 nan 0.000 0.433 202 W N -0.598 120.770 121.300 0.113 0.000 2.421 202 W HA -0.153 4.510 4.660 0.006 0.000 0.270 202 W C 1.344 177.888 176.519 0.040 0.000 1.233 202 W CA 0.754 58.138 57.345 0.065 0.000 1.226 202 W CB -1.069 28.411 29.460 0.033 0.000 1.121 202 W HN 0.306 nan 8.180 nan 0.000 0.579 203 E N 0.141 120.065 120.200 -0.459 0.000 2.472 203 E HA -0.094 4.260 4.350 0.007 0.000 0.200 203 E C 0.482 176.821 176.600 -0.436 0.000 1.046 203 E CA 0.722 56.830 56.400 -0.487 0.000 0.871 203 E CB -0.413 28.840 29.700 -0.745 0.000 0.806 203 E HN 0.323 nan 8.360 nan 0.000 0.533 204 F N 0.466 120.248 119.950 -0.280 0.000 2.735 204 F HA 0.162 4.692 4.527 0.005 0.000 0.304 204 F C 0.843 176.395 175.800 -0.413 0.000 1.119 204 F CA -0.429 57.306 58.000 -0.443 0.000 1.280 204 F CB 0.703 39.270 39.000 -0.722 0.000 0.994 204 F HN -0.191 nan 8.300 nan 0.000 0.520 205 E N 1.463 121.631 120.200 -0.054 0.000 2.316 205 E HA 0.042 4.397 4.350 0.007 0.000 0.275 205 E C 1.112 177.684 176.600 -0.047 0.000 1.029 205 E CA 0.020 56.410 56.400 -0.017 0.000 0.871 205 E CB 1.206 30.951 29.700 0.076 0.000 1.022 205 E HN 0.314 nan 8.360 nan 0.000 0.418 206 I N 4.577 125.127 120.570 -0.034 0.000 2.202 206 I HA -0.247 3.927 4.170 0.007 0.000 0.242 206 I C 1.243 177.356 176.117 -0.007 0.000 1.091 206 I CA 1.532 62.817 61.300 -0.025 0.000 1.368 206 I CB -0.008 37.998 38.000 0.011 0.000 1.058 206 I HN 0.475 nan 8.210 nan 0.000 0.410 207 D N -0.170 120.235 120.400 0.010 0.000 2.149 207 D HA -0.168 4.476 4.640 0.007 0.000 0.198 207 D C 2.220 178.524 176.300 0.006 0.000 0.990 207 D CA 1.787 55.795 54.000 0.012 0.000 0.839 207 D CB -0.441 40.370 40.800 0.018 0.000 0.948 207 D HN 0.333 nan 8.370 nan 0.000 0.460 208 T N 0.138 114.696 114.554 0.007 0.000 2.821 208 T HA -0.065 4.289 4.350 0.007 0.000 0.267 208 T C 1.918 176.608 174.700 -0.017 0.000 1.046 208 T CA 1.298 63.403 62.100 0.007 0.000 1.139 208 T CB -0.159 68.733 68.868 0.039 0.000 0.871 208 T HN 0.189 nan 8.240 nan 0.000 0.454 209 A N 1.593 124.390 122.820 -0.037 0.000 1.873 209 A HA -0.047 4.277 4.320 0.007 0.000 0.215 209 A C 2.348 179.907 177.584 -0.041 0.000 1.186 209 A CA 1.196 53.197 52.037 -0.060 0.000 0.616 209 A CB -0.450 18.496 19.000 -0.089 0.000 0.823 209 A HN 0.364 nan 8.150 nan 0.000 0.442 210 R N -0.861 119.628 120.500 -0.017 0.000 2.091 210 R HA -0.176 4.168 4.340 0.007 0.000 0.238 210 R C 2.577 178.878 176.300 0.002 0.000 1.136 210 R CA 1.591 57.695 56.100 0.006 0.000 0.959 210 R CB -0.293 30.019 30.300 0.020 0.000 0.856 210 R HN 0.671 nan 8.270 nan 0.000 0.437 211 Q N 0.528 120.324 119.800 -0.006 0.000 2.016 211 Q HA -0.184 4.160 4.340 0.007 0.000 0.200 211 Q C 1.985 177.965 176.000 -0.032 0.000 0.978 211 Q CA 1.506 57.304 55.803 -0.009 0.000 0.833 211 Q CB 0.101 28.835 28.738 -0.006 0.000 0.895 211 Q HN 0.346 nan 8.270 nan 0.000 0.427 212 Q N 0.178 119.949 119.800 -0.050 0.000 2.124 212 Q HA -0.078 4.266 4.340 0.007 0.000 0.202 212 Q C 2.331 178.235 176.000 -0.160 0.000 0.977 212 Q CA 0.946 56.699 55.803 -0.083 0.000 0.850 212 Q CB -0.160 28.534 28.738 -0.073 0.000 0.901 212 Q HN 0.405 nan 8.270 nan 0.000 0.429 213 L N 0.659 121.778 121.223 -0.173 0.000 2.131 213 L HA -0.114 4.230 4.340 0.007 0.000 0.206 213 L C 2.082 178.739 176.870 -0.355 0.000 1.087 213 L CA 0.609 55.229 54.840 -0.366 0.000 0.767 213 L CB -0.338 41.610 42.059 -0.184 0.000 0.917 213 L HN 0.180 nan 8.230 nan 0.000 0.441 214 N N 0.104 118.768 118.700 -0.060 0.000 2.188 214 N HA -0.160 4.584 4.740 0.007 0.000 0.184 214 N C 1.839 177.365 175.510 0.027 0.000 1.018 214 N CA 1.094 54.191 53.050 0.078 0.000 0.858 214 N CB -0.077 38.466 38.487 0.093 0.000 0.989 214 N HN 0.170 nan 8.380 nan 0.000 0.426 215 L N 1.865 123.061 121.223 -0.045 0.000 2.017 215 L HA -0.166 4.178 4.340 0.007 0.000 0.208 215 L C 2.455 179.285 176.870 -0.067 0.000 1.073 215 L CA 1.753 56.570 54.840 -0.038 0.000 0.745 215 L CB -0.848 41.182 42.059 -0.048 0.000 0.894 215 L HN 0.036 nan 8.230 nan 0.000 0.432 216 Q N -0.843 118.837 119.800 -0.200 0.000 2.096 216 Q HA -0.200 4.144 4.340 0.007 0.000 0.204 216 Q C 1.745 177.676 176.000 -0.115 0.000 0.982 216 Q CA 2.087 57.737 55.803 -0.254 0.000 0.850 216 Q CB -0.365 28.076 28.738 -0.496 0.000 0.901 216 Q HN 0.523 nan 8.270 nan 0.000 0.422 217 F N -0.878 119.097 119.950 0.041 0.000 2.789 217 F HA 0.355 4.885 4.527 0.005 0.000 0.300 217 F C 1.649 177.534 175.800 0.141 0.000 1.132 217 F CA 0.377 58.426 58.000 0.082 0.000 1.404 217 F CB -0.351 38.679 39.000 0.050 0.000 1.114 217 F HN 0.217 nan 8.300 nan 0.000 0.584 218 G N 1.336 110.277 108.800 0.235 0.000 2.198 218 G HA2 -0.273 3.691 3.960 0.007 0.000 0.260 218 G HA3 -0.273 3.691 3.960 0.007 0.000 0.260 218 G C 0.301 175.311 174.900 0.183 0.000 1.025 218 G CA 0.580 45.782 45.100 0.170 0.000 0.769 218 G HN 0.537 nan 8.290 nan 0.000 0.507 219 T N -3.663 111.035 114.554 0.240 0.000 2.945 219 T HA 0.726 5.080 4.350 0.007 0.000 0.286 219 T C 1.272 176.056 174.700 0.139 0.000 1.025 219 T CA -0.606 61.612 62.100 0.197 0.000 1.039 219 T CB 2.100 71.142 68.868 0.290 0.000 1.068 219 T HN 0.070 nan 8.240 nan 0.000 0.497 220 R N 0.754 121.309 120.500 0.091 0.000 2.062 220 R HA 0.091 4.436 4.340 0.007 0.000 0.226 220 R C 0.056 176.403 176.300 0.078 0.000 1.125 220 R CA 1.473 57.614 56.100 0.067 0.000 0.966 220 R CB -0.260 30.065 30.300 0.041 0.000 0.861 220 R HN 0.900 nan 8.270 nan 0.000 0.433 221 D N -2.056 118.395 120.400 0.085 0.000 2.592 221 D HA 0.176 4.820 4.640 0.007 0.000 0.263 221 D C 0.010 176.399 176.300 0.147 0.000 1.132 221 D CA -0.693 53.365 54.000 0.098 0.000 0.996 221 D CB 0.595 41.429 40.800 0.056 0.000 1.442 221 D HN -0.138 nan 8.370 nan 0.000 0.486 222 L N 0.848 122.176 121.223 0.174 0.000 2.791 222 L HA 0.224 4.568 4.340 0.007 0.000 0.239 222 L C 1.417 178.365 176.870 0.130 0.000 1.203 222 L CA -0.326 54.688 54.840 0.290 0.000 1.002 222 L CB 0.093 42.340 42.059 0.314 0.000 1.295 222 L HN 0.289 nan 8.230 nan 0.000 0.504 223 V N 1.127 121.057 119.914 0.027 0.000 2.252 223 V HA -0.278 3.847 4.120 0.007 0.000 0.249 223 V C 2.619 178.657 176.094 -0.094 0.000 1.056 223 V CA 2.480 64.767 62.300 -0.022 0.000 1.022 223 V CB -0.961 30.841 31.823 -0.034 0.000 0.641 223 V HN 0.666 nan 8.190 nan 0.000 0.445 224 G N -1.059 107.601 108.800 -0.233 0.000 2.499 224 G HA2 -0.244 3.721 3.960 0.007 0.000 0.221 224 G HA3 -0.244 3.721 3.960 0.007 0.000 0.221 224 G C 1.226 175.864 174.900 -0.437 0.000 1.109 224 G CA 0.790 45.658 45.100 -0.388 0.000 0.749 224 G HN 0.538 nan 8.290 nan 0.000 0.568 225 F N 0.112 120.016 119.950 -0.076 0.000 2.776 225 F HA 0.343 4.873 4.527 0.004 0.000 0.300 225 F C 2.031 177.779 175.800 -0.086 0.000 1.116 225 F CA 0.031 57.962 58.000 -0.116 0.000 1.375 225 F CB 0.178 39.064 39.000 -0.189 0.000 1.109 225 F HN 0.224 nan 8.300 nan 0.000 0.585 226 G N 0.667 109.508 108.800 0.068 0.000 2.136 226 G HA2 -0.247 3.717 3.960 0.007 0.000 0.242 226 G HA3 -0.247 3.717 3.960 0.007 0.000 0.242 226 G C 0.706 175.634 174.900 0.046 0.000 0.989 226 G CA 0.518 45.641 45.100 0.038 0.000 0.682 226 G HN 0.673 nan 8.290 nan 0.000 0.522 227 V N -3.120 116.837 119.914 0.072 0.000 3.398 227 V HA 0.577 4.701 4.120 0.007 0.000 0.298 227 V C 1.666 177.795 176.094 0.060 0.000 1.496 227 V CA 1.363 63.695 62.300 0.053 0.000 1.044 227 V CB 0.875 32.714 31.823 0.026 0.000 0.880 227 V HN 0.226 nan 8.190 nan 0.000 0.443 228 E N 2.417 122.657 120.200 0.067 0.000 2.085 228 E HA -0.232 4.122 4.350 0.007 0.000 0.194 228 E C 1.846 178.475 176.600 0.048 0.000 0.994 228 E CA 2.131 58.567 56.400 0.060 0.000 0.801 228 E CB -0.362 29.369 29.700 0.052 0.000 0.743 228 E HN 0.617 nan 8.360 nan 0.000 0.453 229 N N -0.069 118.655 118.700 0.041 0.000 2.417 229 N HA -0.141 4.604 4.740 0.007 0.000 0.187 229 N C -0.342 175.197 175.510 0.048 0.000 1.027 229 N CA 1.271 54.345 53.050 0.039 0.000 0.891 229 N CB -0.114 38.393 38.487 0.032 0.000 0.956 229 N HN 0.230 nan 8.380 nan 0.000 0.442 230 A N -0.034 122.818 122.820 0.054 0.000 3.165 230 A HA 0.421 4.745 4.320 0.007 0.000 0.331 230 A C -1.680 175.953 177.584 0.082 0.000 1.034 230 A CA -1.138 50.940 52.037 0.068 0.000 0.906 230 A CB 0.785 19.821 19.000 0.061 0.000 1.054 230 A HN -0.062 nan 8.150 nan 0.000 0.484 231 P HA -0.180 nan 4.420 nan 0.000 0.215 231 P C 1.708 179.100 177.300 0.153 0.000 1.153 231 P CA 1.006 64.165 63.100 0.098 0.000 0.853 231 P CB 0.144 31.906 31.700 0.103 0.000 0.788 232 R N -0.545 120.092 120.500 0.229 0.000 2.094 232 R HA -0.135 4.209 4.340 0.007 0.000 0.239 232 R C 2.490 179.009 176.300 0.366 0.000 1.137 232 R CA 2.105 58.445 56.100 0.401 0.000 0.943 232 R CB -1.357 29.140 30.300 0.329 0.000 0.850 232 R HN 0.225 nan 8.270 nan 0.000 0.433 233 G N 0.549 109.491 108.800 0.238 0.000 2.404 233 G HA2 -0.229 3.736 3.960 0.007 0.000 0.215 233 G HA3 -0.229 3.736 3.960 0.007 0.000 0.215 233 G C 1.468 176.419 174.900 0.085 0.000 1.174 233 G CA 0.445 45.654 45.100 0.181 0.000 0.780 233 G HN 0.180 nan 8.290 nan 0.000 0.537 234 L N 0.125 121.373 121.223 0.042 0.000 2.043 234 L HA -0.209 4.135 4.340 0.007 0.000 0.212 234 L C 3.071 179.902 176.870 -0.065 0.000 1.075 234 L CA 1.066 55.895 54.840 -0.018 0.000 0.752 234 L CB -0.583 41.475 42.059 -0.002 0.000 0.891 234 L HN 0.284 nan 8.230 nan 0.000 0.432 235 C N -0.580 118.665 119.300 -0.092 0.000 2.429 235 C HA -0.162 4.303 4.460 0.007 0.000 0.277 235 C C 3.130 177.956 174.990 -0.273 0.000 1.262 235 C CA 0.714 59.577 59.018 -0.258 0.000 1.733 235 C CB -1.053 26.364 27.740 -0.540 0.000 2.010 235 C HN 0.640 nan 8.230 nan 0.000 0.483 236 A N 0.551 123.331 122.820 -0.065 0.000 1.877 236 A HA 0.050 4.375 4.320 0.007 0.000 0.216 236 A C 2.382 179.908 177.584 -0.097 0.000 1.186 236 A CA 2.085 54.138 52.037 0.026 0.000 0.620 236 A CB -1.013 18.145 19.000 0.263 0.000 0.822 236 A HN 0.584 nan 8.150 nan 0.000 0.443 237 A N -0.533 122.267 122.820 -0.034 0.000 1.978 237 A HA 0.088 4.412 4.320 0.007 0.000 0.220 237 A C 2.329 179.933 177.584 0.034 0.000 1.170 237 A CA 2.008 54.071 52.037 0.043 0.000 0.636 237 A CB -1.267 17.669 19.000 -0.107 0.000 0.810 237 A HN 0.704 nan 8.150 nan 0.000 0.448 238 G N -1.088 107.642 108.800 -0.116 0.000 2.414 238 G HA2 -0.277 3.688 3.960 0.007 0.000 0.215 238 G HA3 -0.277 3.688 3.960 0.007 0.000 0.215 238 G C 1.807 176.568 174.900 -0.232 0.000 1.188 238 G CA 1.181 46.191 45.100 -0.151 0.000 0.783 238 G HN 0.624 nan 8.290 nan 0.000 0.537 239 C N -0.001 119.023 119.300 -0.460 0.000 2.398 239 C HA -0.065 4.399 4.460 0.007 0.000 0.276 239 C C 2.760 177.569 174.990 -0.302 0.000 1.222 239 C CA 1.194 59.863 59.018 -0.581 0.000 1.746 239 C CB -1.056 25.920 27.740 -1.274 0.000 2.039 239 C HN 0.350 nan 8.230 nan 0.000 0.470 240 L N 0.592 121.683 121.223 -0.221 0.000 1.989 240 L HA -0.078 4.266 4.340 0.007 0.000 0.211 240 L C 2.326 179.141 176.870 -0.092 0.000 1.071 240 L CA 2.220 56.987 54.840 -0.120 0.000 0.749 240 L CB -1.073 40.958 42.059 -0.046 0.000 0.890 240 L HN 0.467 nan 8.230 nan 0.000 0.431 241 L N -1.008 120.167 121.223 -0.080 0.000 2.083 241 L HA -0.223 4.122 4.340 0.007 0.000 0.209 241 L C 2.466 179.287 176.870 -0.083 0.000 1.083 241 L CA 1.666 56.437 54.840 -0.115 0.000 0.752 241 L CB -0.554 41.471 42.059 -0.057 0.000 0.899 241 L HN 0.398 nan 8.230 nan 0.000 0.433 242 Q N -2.018 117.741 119.800 -0.067 0.000 2.124 242 Q HA -0.251 4.093 4.340 0.007 0.000 0.202 242 Q C 2.107 178.102 176.000 -0.008 0.000 0.977 242 Q CA 1.980 57.758 55.803 -0.042 0.000 0.850 242 Q CB -0.309 28.400 28.738 -0.049 0.000 0.901 242 Q HN 0.604 nan 8.270 nan 0.000 0.429 243 Y N 0.432 120.651 120.300 -0.135 0.000 2.145 243 Y HA -0.241 4.313 4.550 0.007 0.000 0.286 243 Y C 2.140 177.980 175.900 -0.101 0.000 1.145 243 Y CA 1.379 59.411 58.100 -0.113 0.000 1.148 243 Y CB -0.363 38.021 38.460 -0.126 0.000 0.981 243 Y HN 0.115 nan 8.280 nan 0.000 0.507 244 A N 0.184 123.005 122.820 0.002 0.000 1.877 244 A HA -0.217 4.107 4.320 0.007 0.000 0.216 244 A C 2.213 179.731 177.584 -0.110 0.000 1.186 244 A CA 2.060 54.053 52.037 -0.074 0.000 0.620 244 A CB -0.586 18.348 19.000 -0.111 0.000 0.822 244 A HN 0.487 nan 8.150 nan 0.000 0.443 245 K N -0.715 119.627 120.400 -0.096 0.000 2.063 245 K HA -0.199 4.125 4.320 0.007 0.000 0.208 245 K C 1.835 178.379 176.600 -0.094 0.000 1.048 245 K CA 1.645 57.882 56.287 -0.084 0.000 0.928 245 K CB -0.246 32.213 32.500 -0.068 0.000 0.713 245 K HN 0.589 nan 8.250 nan 0.000 0.442 246 D N 0.005 120.333 120.400 -0.120 0.000 2.144 246 D HA -0.133 4.511 4.640 0.007 0.000 0.200 246 D C 1.890 178.085 176.300 -0.176 0.000 0.978 246 D CA 1.833 55.756 54.000 -0.129 0.000 0.833 246 D CB 0.110 40.823 40.800 -0.145 0.000 0.961 246 D HN 0.275 nan 8.370 nan 0.000 0.470 247 T N -2.486 111.909 114.554 -0.266 0.000 2.857 247 T HA -0.101 4.254 4.350 0.007 0.000 0.266 247 T C 1.787 176.394 174.700 -0.156 0.000 1.048 247 T CA 0.683 62.628 62.100 -0.257 0.000 1.139 247 T CB -0.170 68.508 68.868 -0.316 0.000 0.874 247 T HN 0.023 nan 8.240 nan 0.000 0.455 248 Q N 0.978 120.705 119.800 -0.122 0.000 2.165 248 Q HA 0.266 4.611 4.340 0.007 0.000 0.197 248 Q C 1.093 177.051 176.000 -0.070 0.000 0.952 248 Q CA 0.482 56.233 55.803 -0.087 0.000 0.848 248 Q CB -0.281 28.412 28.738 -0.075 0.000 0.931 248 Q HN 0.621 nan 8.270 nan 0.000 0.470 249 R N 0.768 121.229 120.500 -0.065 0.000 3.641 249 R HA -0.134 4.210 4.340 0.007 0.000 0.286 249 R C -0.438 175.841 176.300 -0.036 0.000 1.153 249 R CA 0.965 57.038 56.100 -0.044 0.000 0.775 249 R CB -2.261 28.021 30.300 -0.031 0.000 1.215 249 R HN 0.519 nan 8.270 nan 0.000 0.474 250 T N -4.817 109.710 114.554 -0.046 0.000 2.838 250 T HA 0.522 4.876 4.350 0.007 0.000 0.292 250 T C 0.392 175.062 174.700 -0.049 0.000 1.113 250 T CA -0.364 61.709 62.100 -0.045 0.000 1.008 250 T CB 1.864 70.698 68.868 -0.057 0.000 1.259 250 T HN 0.142 nan 8.240 nan 0.000 0.520 251 T N 0.142 114.668 114.554 -0.046 0.000 2.900 251 T HA 0.471 4.825 4.350 0.007 0.000 0.307 251 T C 0.174 174.837 174.700 -0.062 0.000 1.065 251 T CA -0.710 61.365 62.100 -0.042 0.000 1.105 251 T CB -0.144 68.706 68.868 -0.030 0.000 0.979 251 T HN 0.582 nan 8.240 nan 0.000 0.544 252 L N 3.288 124.496 121.223 -0.026 0.000 2.679 252 L HA 0.295 4.639 4.340 0.007 0.000 0.238 252 L C -1.542 175.404 176.870 0.126 0.000 1.330 252 L CA -1.866 52.986 54.840 0.021 0.000 0.935 252 L CB 1.298 43.410 42.059 0.088 0.000 1.243 252 L HN 0.541 nan 8.230 nan 0.000 0.484 253 P HA -0.170 nan 4.420 nan 0.000 0.226 253 P C 1.007 178.415 177.300 0.181 0.000 1.153 253 P CA 1.158 64.309 63.100 0.085 0.000 0.777 253 P CB -0.091 31.617 31.700 0.014 0.000 0.794 254 H N -0.843 118.227 119.070 0.001 0.000 2.556 254 H HA 0.192 4.753 4.556 0.008 0.000 0.268 254 H C 0.461 175.809 175.328 0.034 0.000 0.996 254 H CA -0.707 55.347 56.048 0.009 0.000 1.157 254 H CB -1.347 28.403 29.762 -0.020 0.000 1.355 254 H HN 0.159 nan 8.280 nan 0.000 0.597 255 I N 2.825 123.483 120.570 0.146 0.000 2.479 255 I HA 0.224 4.399 4.170 0.007 0.000 0.279 255 I C 0.848 177.132 176.117 0.278 0.000 1.102 255 I CA -0.350 61.005 61.300 0.091 0.000 1.196 255 I CB 0.578 38.584 38.000 0.010 0.000 1.427 255 I HN 0.198 nan 8.210 nan 0.000 0.503 256 R N 2.028 122.656 120.500 0.215 0.000 2.472 256 R HA 0.442 4.786 4.340 0.007 0.000 0.279 256 R C 0.133 176.392 176.300 -0.068 0.000 0.953 256 R CA -0.201 56.031 56.100 0.219 0.000 1.088 256 R CB 0.800 31.192 30.300 0.153 0.000 1.197 256 R HN 0.352 nan 8.270 nan 0.000 0.536 257 S N 0.043 115.545 115.700 -0.330 0.000 2.587 257 S HA 0.560 5.034 4.470 0.007 0.000 0.269 257 S C -1.903 172.254 174.600 -0.739 0.000 1.154 257 S CA -0.771 56.917 58.200 -0.853 0.000 0.824 257 S CB 1.715 64.778 63.200 -0.228 0.000 1.118 257 S HN 0.295 nan 8.310 nan 0.000 0.462 258 I N 1.725 121.733 120.570 -0.937 0.000 2.802 258 I HA 0.651 4.826 4.170 0.007 0.000 0.298 258 I C -1.406 174.534 176.117 -0.295 0.000 1.176 258 I CA -0.145 60.831 61.300 -0.540 0.000 1.025 258 I CB 2.375 39.943 38.000 -0.720 0.000 1.243 258 I HN 0.658 nan 8.210 nan 0.000 0.424 259 T N 6.992 121.443 114.554 -0.171 0.000 2.881 259 T HA 0.400 4.754 4.350 0.007 0.000 0.290 259 T C -0.558 174.108 174.700 -0.056 0.000 1.000 259 T CA -0.443 61.618 62.100 -0.066 0.000 0.978 259 T CB 1.624 70.480 68.868 -0.020 0.000 0.997 259 T HN 0.619 nan 8.240 nan 0.000 0.443 260 M N 2.619 122.204 119.600 -0.025 0.000 2.235 260 M HA 0.342 4.826 4.480 0.007 0.000 0.351 260 M C -0.439 175.868 176.300 0.011 0.000 1.178 260 M CA 0.122 55.420 55.300 -0.004 0.000 1.143 260 M CB 0.551 33.156 32.600 0.009 0.000 1.530 260 M HN 0.504 nan 8.290 nan 0.000 0.461 261 E N 4.897 125.112 120.200 0.026 0.000 2.073 261 E HA 0.310 4.664 4.350 0.007 0.000 0.269 261 E C -1.053 175.564 176.600 0.027 0.000 0.917 261 E CA -0.450 55.967 56.400 0.028 0.000 0.757 261 E CB 1.079 30.806 29.700 0.046 0.000 1.111 261 E HN 0.639 nan 8.360 nan 0.000 0.410 262 R N 2.020 122.527 120.500 0.012 0.000 2.531 262 R HA 0.131 4.476 4.340 0.007 0.000 0.273 262 R C 0.871 177.168 176.300 -0.003 0.000 1.070 262 R CA -0.360 55.744 56.100 0.007 0.000 1.112 262 R CB 0.942 31.240 30.300 -0.003 0.000 1.049 262 R HN 0.567 nan 8.270 nan 0.000 0.508 263 E N 1.304 121.501 120.200 -0.004 0.000 2.097 263 E HA -0.271 4.083 4.350 0.007 0.000 0.196 263 E C 1.168 177.745 176.600 -0.038 0.000 1.000 263 E CA 1.747 58.136 56.400 -0.018 0.000 0.804 263 E CB 0.191 29.883 29.700 -0.014 0.000 0.740 263 E HN 0.461 nan 8.360 nan 0.000 0.454 264 Q N 0.071 119.846 119.800 -0.042 0.000 2.403 264 Q HA -0.002 4.342 4.340 0.007 0.000 0.203 264 Q C 0.733 176.695 176.000 -0.062 0.000 0.932 264 Q CA 0.543 56.309 55.803 -0.061 0.000 0.945 264 Q CB 0.414 29.114 28.738 -0.064 0.000 1.045 264 Q HN 0.120 nan 8.270 nan 0.000 0.511 265 D N 0.072 120.443 120.400 -0.049 0.000 2.348 265 D HA 0.032 4.677 4.640 0.007 0.000 0.211 265 D C 0.077 176.343 176.300 -0.056 0.000 0.998 265 D CA 0.472 54.443 54.000 -0.049 0.000 0.873 265 D CB 0.390 41.169 40.800 -0.035 0.000 0.925 265 D HN 0.263 nan 8.370 nan 0.000 0.524 266 S N -0.913 114.750 115.700 -0.061 0.000 2.618 266 S HA 0.514 4.988 4.470 0.007 0.000 0.277 266 S C -0.543 174.001 174.600 -0.094 0.000 1.138 266 S CA -0.952 57.208 58.200 -0.066 0.000 0.844 266 S CB 1.538 64.715 63.200 -0.038 0.000 1.127 266 S HN -0.039 nan 8.310 nan 0.000 0.474 267 I N 1.937 122.440 120.570 -0.112 0.000 2.363 267 I HA 0.227 4.401 4.170 0.007 0.000 0.292 267 I C -0.352 175.696 176.117 -0.115 0.000 1.075 267 I CA -0.426 60.789 61.300 -0.141 0.000 1.333 267 I CB 0.153 38.049 38.000 -0.173 0.000 1.415 267 I HN 0.527 nan 8.210 nan 0.000 0.502 268 I N 7.506 127.997 120.570 -0.132 0.000 2.533 268 I HA 0.078 4.253 4.170 0.007 0.000 0.284 268 I C 0.198 176.196 176.117 -0.198 0.000 1.109 268 I CA 0.551 61.767 61.300 -0.140 0.000 1.412 268 I CB 0.329 38.242 38.000 -0.145 0.000 1.396 268 I HN 0.477 nan 8.210 nan 0.000 0.543 269 M N 6.149 125.662 119.600 -0.146 0.000 2.227 269 M HA 0.237 4.721 4.480 0.007 0.000 0.335 269 M C -0.482 175.737 176.300 -0.134 0.000 1.053 269 M CA -1.064 54.141 55.300 -0.158 0.000 0.973 269 M CB 1.455 34.004 32.600 -0.085 0.000 1.623 269 M HN 0.516 nan 8.290 nan 0.000 0.434 270 D N 2.488 122.785 120.400 -0.171 0.000 2.378 270 D HA 0.090 4.735 4.640 0.007 0.000 0.238 270 D C 0.967 177.245 176.300 -0.037 0.000 1.180 270 D CA -0.185 53.763 54.000 -0.086 0.000 0.895 270 D CB 0.687 41.473 40.800 -0.025 0.000 1.192 270 D HN 0.657 nan 8.370 nan 0.000 0.438 271 A N 1.448 124.256 122.820 -0.021 0.000 1.978 271 A HA -0.039 4.285 4.320 0.007 0.000 0.220 271 A C 2.189 179.776 177.584 0.006 0.000 1.170 271 A CA 2.458 54.489 52.037 -0.009 0.000 0.636 271 A CB -1.082 17.908 19.000 -0.017 0.000 0.810 271 A HN 0.753 nan 8.150 nan 0.000 0.448 272 A N -1.264 121.563 122.820 0.012 0.000 1.929 272 A HA -0.020 4.304 4.320 0.007 0.000 0.216 272 A C 2.288 179.882 177.584 0.017 0.000 1.176 272 A CA 2.100 54.148 52.037 0.018 0.000 0.628 272 A CB -1.145 17.872 19.000 0.027 0.000 0.816 272 A HN 0.415 nan 8.150 nan 0.000 0.444 273 T N -0.152 114.406 114.554 0.008 0.000 2.652 273 T HA -0.182 4.173 4.350 0.007 0.000 0.267 273 T C 2.072 176.773 174.700 0.001 0.000 1.039 273 T CA 1.729 63.829 62.100 -0.001 0.000 1.153 273 T CB -0.270 68.579 68.868 -0.031 0.000 0.863 273 T HN 0.506 nan 8.240 nan 0.000 0.428 274 R N 0.402 120.907 120.500 0.009 0.000 2.103 274 R HA -0.063 4.281 4.340 0.007 0.000 0.242 274 R C 2.746 179.068 176.300 0.037 0.000 1.142 274 R CA 1.231 57.349 56.100 0.031 0.000 0.960 274 R CB -0.114 30.239 30.300 0.089 0.000 0.858 274 R HN 0.158 nan 8.270 nan 0.000 0.439 275 R N 0.073 120.595 120.500 0.036 0.000 2.073 275 R HA -0.044 4.301 4.340 0.007 0.000 0.229 275 R C 1.819 178.137 176.300 0.030 0.000 1.120 275 R CA 1.257 57.378 56.100 0.035 0.000 0.967 275 R CB -0.996 29.321 30.300 0.028 0.000 0.862 275 R HN 0.225 nan 8.270 nan 0.000 0.436 276 N N 0.607 119.323 118.700 0.027 0.000 2.396 276 N HA -0.015 4.729 4.740 0.007 0.000 0.180 276 N C 1.433 176.968 175.510 0.042 0.000 1.028 276 N CA 0.607 53.675 53.050 0.031 0.000 0.893 276 N CB 0.063 38.566 38.487 0.027 0.000 0.967 276 N HN 0.136 nan 8.380 nan 0.000 0.440 277 L N 0.212 121.453 121.223 0.030 0.000 2.509 277 L HA 0.168 4.512 4.340 0.007 0.000 0.222 277 L C -0.186 176.698 176.870 0.024 0.000 1.123 277 L CA 0.217 55.075 54.840 0.029 0.000 0.856 277 L CB -0.256 41.796 42.059 -0.012 0.000 0.985 277 L HN 0.197 nan 8.230 nan 0.000 0.456 278 E N 0.063 120.277 120.200 0.023 0.000 2.230 278 E HA -0.258 4.096 4.350 0.007 0.000 0.206 278 E C 0.913 177.515 176.600 0.003 0.000 1.309 278 E CA 0.099 56.516 56.400 0.028 0.000 0.697 278 E CB -1.479 28.250 29.700 0.047 0.000 1.146 278 E HN 0.516 nan 8.360 nan 0.000 0.363 279 I N -0.050 120.497 120.570 -0.039 0.000 2.162 279 I HA -0.197 3.977 4.170 0.007 0.000 0.238 279 I C 2.512 178.603 176.117 -0.044 0.000 1.076 279 I CA 2.124 63.355 61.300 -0.114 0.000 1.353 279 I CB -0.150 37.641 38.000 -0.347 0.000 1.063 279 I HN 0.393 nan 8.210 nan 0.000 0.408 280 T N -3.716 110.870 114.554 0.053 0.000 3.003 280 T HA 0.186 4.541 4.350 0.007 0.000 0.261 280 T C 0.489 175.240 174.700 0.084 0.000 1.003 280 T CA -0.324 61.839 62.100 0.105 0.000 0.917 280 T CB 0.409 69.404 68.868 0.211 0.000 1.084 280 T HN 0.164 nan 8.240 nan 0.000 0.522 281 Q N 2.075 121.921 119.800 0.077 0.000 2.274 281 Q HA 0.412 4.756 4.340 0.007 0.000 0.268 281 Q C -1.126 174.902 176.000 0.045 0.000 1.015 281 Q CA -0.766 55.072 55.803 0.058 0.000 0.775 281 Q CB 1.779 30.555 28.738 0.063 0.000 1.256 281 Q HN 0.506 nan 8.270 nan 0.000 0.442 282 N N 2.160 120.882 118.700 0.036 0.000 2.322 282 N HA 0.077 4.821 4.740 0.007 0.000 0.270 282 N C 0.604 176.131 175.510 0.028 0.000 1.286 282 N CA -0.170 52.899 53.050 0.032 0.000 0.948 282 N CB 0.465 38.969 38.487 0.028 0.000 1.164 282 N HN 0.626 nan 8.380 nan 0.000 0.551 283 L N -1.802 119.435 121.223 0.024 0.000 2.313 283 L HA 0.135 4.479 4.340 0.007 0.000 0.214 283 L C 2.013 178.894 176.870 0.018 0.000 1.119 283 L CA 0.880 55.733 54.840 0.021 0.000 0.809 283 L CB -0.452 41.619 42.059 0.019 0.000 0.933 283 L HN 0.780 nan 8.230 nan 0.000 0.449 284 A N -0.609 122.221 122.820 0.017 0.000 2.238 284 A HA 0.333 4.657 4.320 0.007 0.000 0.208 284 A C 1.830 179.423 177.584 0.015 0.000 1.177 284 A CA 0.845 52.890 52.037 0.014 0.000 0.804 284 A CB -0.324 18.684 19.000 0.013 0.000 0.823 284 A HN 0.497 nan 8.150 nan 0.000 0.482 285 G N -1.820 106.990 108.800 0.017 0.000 2.279 285 G HA2 -0.084 3.880 3.960 0.007 0.000 0.223 285 G HA3 -0.084 3.880 3.960 0.007 0.000 0.223 285 G C 0.933 175.844 174.900 0.019 0.000 1.015 285 G CA 0.180 45.291 45.100 0.017 0.000 0.621 285 G HN 1.382 nan 8.290 nan 0.000 0.506 286 G N -0.324 108.487 108.800 0.018 0.000 2.611 286 G HA2 0.618 4.583 3.960 0.007 0.000 0.273 286 G HA3 0.618 4.583 3.960 0.007 0.000 0.273 286 G C 1.083 175.996 174.900 0.022 0.000 1.305 286 G CA 0.785 45.896 45.100 0.017 0.000 1.010 286 G HN 1.400 nan 8.290 nan 0.000 0.509 287 A N -0.989 121.843 122.820 0.020 0.000 2.348 287 A HA 0.381 4.705 4.320 0.007 0.000 0.224 287 A C 0.714 178.311 177.584 0.022 0.000 1.227 287 A CA 0.095 52.146 52.037 0.023 0.000 0.885 287 A CB 0.000 19.013 19.000 0.021 0.000 0.933 287 A HN 0.585 nan 8.150 nan 0.000 0.506 288 E N 0.884 121.095 120.200 0.019 0.000 2.383 288 E HA 0.333 4.688 4.350 0.007 0.000 0.264 288 E C -0.071 176.543 176.600 0.023 0.000 1.050 288 E CA -0.307 56.105 56.400 0.019 0.000 0.896 288 E CB 0.099 29.809 29.700 0.016 0.000 0.982 288 E HN 0.232 nan 8.360 nan 0.000 0.424 289 N N -0.146 118.569 118.700 0.025 0.000 2.735 289 N HA -0.170 4.574 4.740 0.007 0.000 0.248 289 N C -0.755 174.779 175.510 0.039 0.000 1.083 289 N CA 1.394 54.463 53.050 0.032 0.000 0.703 289 N CB -2.058 36.447 38.487 0.031 0.000 1.005 289 N HN 0.712 nan 8.380 nan 0.000 0.550 290 T N -3.906 110.668 114.554 0.033 0.000 2.884 290 T HA 0.544 4.898 4.350 0.007 0.000 0.277 290 T C 1.429 176.142 174.700 0.022 0.000 0.976 290 T CA -0.755 61.364 62.100 0.031 0.000 0.956 290 T CB 1.229 70.113 68.868 0.027 0.000 1.113 290 T HN -0.001 nan 8.240 nan 0.000 0.554 291 L N 0.928 122.153 121.223 0.003 0.000 2.056 291 L HA 0.178 4.523 4.340 0.007 0.000 0.207 291 L C 2.712 179.583 176.870 0.001 0.000 1.078 291 L CA 2.302 57.132 54.840 -0.015 0.000 0.749 291 L CB -1.429 40.600 42.059 -0.049 0.000 0.901 291 L HN 0.898 nan 8.230 nan 0.000 0.433 292 A N -1.002 121.820 122.820 0.004 0.000 1.969 292 A HA -0.164 4.160 4.320 0.007 0.000 0.218 292 A C 2.476 180.068 177.584 0.014 0.000 1.169 292 A CA 1.631 53.676 52.037 0.013 0.000 0.635 292 A CB -1.008 18.005 19.000 0.022 0.000 0.810 292 A HN 0.664 nan 8.150 nan 0.000 0.445 293 S N -0.370 115.339 115.700 0.016 0.000 2.382 293 S HA -0.119 4.355 4.470 0.007 0.000 0.228 293 S C 1.715 176.322 174.600 0.012 0.000 1.027 293 S CA 1.579 59.788 58.200 0.014 0.000 0.991 293 S CB -0.749 62.461 63.200 0.017 0.000 0.823 293 S HN 0.245 nan 8.310 nan 0.000 0.469 294 V N 1.587 121.512 119.914 0.017 0.000 2.446 294 V HA 0.121 4.245 4.120 0.007 0.000 0.244 294 V C 2.406 178.513 176.094 0.021 0.000 1.039 294 V CA 1.312 63.624 62.300 0.020 0.000 1.045 294 V CB -0.630 31.212 31.823 0.032 0.000 0.681 294 V HN 0.462 nan 8.190 nan 0.000 0.459 295 L N -0.212 121.029 121.223 0.031 0.000 2.446 295 L HA 0.128 4.472 4.340 0.007 0.000 0.219 295 L C 0.684 177.561 176.870 0.012 0.000 1.116 295 L CA 0.482 55.345 54.840 0.038 0.000 0.844 295 L CB -0.073 42.024 42.059 0.063 0.000 0.970 295 L HN 0.311 nan 8.230 nan 0.000 0.457 296 D N -0.338 120.063 120.400 0.002 0.000 2.499 296 D HA 0.164 4.808 4.640 0.007 0.000 0.225 296 D C -0.284 176.006 176.300 -0.016 0.000 1.124 296 D CA -0.264 53.729 54.000 -0.012 0.000 0.938 296 D CB 0.434 41.227 40.800 -0.011 0.000 1.014 296 D HN 0.024 nan 8.370 nan 0.000 0.517 297 C N 3.570 122.857 119.300 -0.022 0.000 2.624 297 C HA 0.272 4.736 4.460 0.007 0.000 0.263 297 C C 0.763 175.737 174.990 -0.028 0.000 1.587 297 C CA -0.650 58.356 59.018 -0.022 0.000 1.718 297 C CB -1.687 26.041 27.740 -0.020 0.000 3.050 297 C HN 0.624 nan 8.230 nan 0.000 0.517 298 T N -1.148 113.383 114.554 -0.037 0.000 2.903 298 T HA 0.243 4.597 4.350 0.007 0.000 0.314 298 T C 1.104 175.784 174.700 -0.033 0.000 1.078 298 T CA 0.238 62.311 62.100 -0.045 0.000 1.114 298 T CB 1.107 69.936 68.868 -0.065 0.000 0.987 298 T HN 0.593 nan 8.240 nan 0.000 0.548 299 V N -1.686 118.209 119.914 -0.030 0.000 3.660 299 V HA 0.343 4.467 4.120 0.007 0.000 0.276 299 V C 0.779 176.862 176.094 -0.019 0.000 1.317 299 V CA 0.476 62.764 62.300 -0.020 0.000 1.097 299 V CB -0.791 31.023 31.823 -0.014 0.000 0.863 299 V HN 1.234 nan 8.190 nan 0.000 0.438 300 T N -3.236 111.302 114.554 -0.027 0.000 2.907 300 T HA 0.635 4.989 4.350 0.007 0.000 0.292 300 T C -2.199 172.482 174.700 -0.032 0.000 1.043 300 T CA -1.493 60.593 62.100 -0.025 0.000 1.003 300 T CB 2.169 71.023 68.868 -0.023 0.000 1.084 300 T HN -0.016 nan 8.240 nan 0.000 0.483 301 P HA -0.113 nan 4.420 nan 0.000 0.215 301 P C 1.922 179.200 177.300 -0.037 0.000 1.153 301 P CA 1.673 64.756 63.100 -0.028 0.000 0.853 301 P CB -0.200 31.487 31.700 -0.021 0.000 0.788 302 M N -2.521 117.057 119.600 -0.037 0.000 2.229 302 M HA 0.056 4.540 4.480 0.007 0.000 0.264 302 M C 2.098 178.355 176.300 -0.072 0.000 1.063 302 M CA 2.315 57.589 55.300 -0.043 0.000 1.114 302 M CB -1.699 30.882 32.600 -0.031 0.000 1.387 302 M HN -0.182 nan 8.290 nan 0.000 0.420 303 G N 0.438 109.190 108.800 -0.080 0.000 2.404 303 G HA2 -0.206 3.758 3.960 0.007 0.000 0.215 303 G HA3 -0.206 3.758 3.960 0.007 0.000 0.215 303 G C 1.583 176.397 174.900 -0.143 0.000 1.174 303 G CA 1.041 46.066 45.100 -0.125 0.000 0.780 303 G HN 0.532 nan 8.290 nan 0.000 0.537 304 S N 0.301 115.945 115.700 -0.094 0.000 2.353 304 S HA -0.147 4.327 4.470 0.007 0.000 0.222 304 S C 2.495 177.049 174.600 -0.077 0.000 1.035 304 S CA 1.579 59.732 58.200 -0.077 0.000 1.025 304 S CB -0.278 62.895 63.200 -0.045 0.000 0.902 304 S HN 0.441 nan 8.310 nan 0.000 0.440 305 R N 0.070 120.531 120.500 -0.064 0.000 2.091 305 R HA -0.103 4.241 4.340 0.007 0.000 0.238 305 R C 2.579 178.835 176.300 -0.073 0.000 1.136 305 R CA 1.864 57.937 56.100 -0.046 0.000 0.959 305 R CB -0.443 29.837 30.300 -0.033 0.000 0.856 305 R HN 0.526 nan 8.270 nan 0.000 0.437 306 M N 0.587 120.098 119.600 -0.148 0.000 2.132 306 M HA -0.152 4.332 4.480 0.007 0.000 0.263 306 M C 2.100 178.117 176.300 -0.471 0.000 1.065 306 M CA 1.360 56.493 55.300 -0.279 0.000 1.122 306 M CB -0.042 32.337 32.600 -0.369 0.000 1.365 306 M HN 0.155 nan 8.290 nan 0.000 0.411 307 L N 0.712 121.700 121.223 -0.391 0.000 2.046 307 L HA -0.187 4.157 4.340 0.007 0.000 0.208 307 L C 1.971 178.805 176.870 -0.060 0.000 1.077 307 L CA 1.986 56.642 54.840 -0.306 0.000 0.747 307 L CB -0.628 41.320 42.059 -0.184 0.000 0.896 307 L HN 0.223 nan 8.230 nan 0.000 0.432 308 K N -0.938 119.457 120.400 -0.010 0.000 2.148 308 K HA -0.105 4.219 4.320 0.007 0.000 0.204 308 K C 2.195 178.916 176.600 0.202 0.000 1.050 308 K CA 1.143 57.494 56.287 0.106 0.000 0.942 308 K CB -0.157 32.404 32.500 0.103 0.000 0.724 308 K HN 0.325 nan 8.250 nan 0.000 0.446 309 R N -0.223 120.371 120.500 0.156 0.000 2.081 309 R HA -0.133 4.212 4.340 0.007 0.000 0.235 309 R C 1.987 178.514 176.300 0.379 0.000 1.131 309 R CA 1.392 57.635 56.100 0.239 0.000 0.960 309 R CB -0.129 30.297 30.300 0.210 0.000 0.856 309 R HN 0.282 nan 8.270 nan 0.000 0.436 310 W N 1.019 122.366 121.300 0.078 0.000 2.379 310 W HA -0.033 4.632 4.660 0.008 0.000 0.307 310 W C 2.018 178.572 176.519 0.057 0.000 1.200 310 W CA 0.547 57.931 57.345 0.065 0.000 1.297 310 W CB -1.012 28.481 29.460 0.054 0.000 1.140 310 W HN 0.020 nan 8.180 nan 0.000 0.507 311 L N -0.832 120.557 121.223 0.277 0.000 2.081 311 L HA -0.258 4.087 4.340 0.007 0.000 0.212 311 L C 2.383 179.265 176.870 0.021 0.000 1.080 311 L CA 1.358 56.260 54.840 0.104 0.000 0.754 311 L CB -1.043 41.025 42.059 0.015 0.000 0.893 311 L HN 0.096 nan 8.230 nan 0.000 0.433 312 H N -1.152 117.982 119.070 0.106 0.000 2.551 312 H HA 0.144 4.703 4.556 0.007 0.000 0.266 312 H C 0.584 175.948 175.328 0.059 0.000 0.977 312 H CA 0.581 56.670 56.048 0.069 0.000 1.163 312 H CB 0.576 30.375 29.762 0.062 0.000 1.381 312 H HN 0.256 nan 8.280 nan 0.000 0.581 313 M N 1.053 120.756 119.600 0.172 0.000 2.151 313 M HA 0.305 4.789 4.480 0.007 0.000 0.229 313 M C -2.985 173.347 176.300 0.053 0.000 1.029 313 M CA -1.623 53.738 55.300 0.102 0.000 0.765 313 M CB 1.753 34.419 32.600 0.111 0.000 1.969 313 M HN -0.286 nan 8.290 nan 0.000 0.352 314 P HA 0.170 nan 4.420 nan 0.000 0.271 314 P C -0.633 176.664 177.300 -0.005 0.000 1.216 314 P CA -0.329 62.793 63.100 0.038 0.000 0.776 314 P CB 0.700 32.445 31.700 0.074 0.000 0.881 315 V N 1.546 121.451 119.914 -0.016 0.000 2.716 315 V HA 0.476 4.600 4.120 0.007 0.000 0.304 315 V C 0.881 176.986 176.094 0.018 0.000 1.053 315 V CA -0.457 61.816 62.300 -0.046 0.000 0.984 315 V CB 1.923 33.673 31.823 -0.122 0.000 1.021 315 V HN 0.402 nan 8.190 nan 0.000 0.467 316 R N -0.003 120.477 120.500 -0.033 0.000 2.365 316 R HA 0.218 4.562 4.340 0.007 0.000 0.223 316 R C -0.060 176.212 176.300 -0.048 0.000 0.899 316 R CA -0.212 55.870 56.100 -0.030 0.000 1.059 316 R CB 0.193 30.442 30.300 -0.085 0.000 1.086 316 R HN 0.881 nan 8.270 nan 0.000 0.522 317 D N 1.270 121.627 120.400 -0.071 0.000 2.346 317 D HA -0.010 4.634 4.640 0.007 0.000 0.260 317 D C 0.673 176.891 176.300 -0.136 0.000 1.252 317 D CA 0.447 54.393 54.000 -0.089 0.000 0.895 317 D CB 1.311 42.063 40.800 -0.081 0.000 1.097 317 D HN -0.006 nan 8.370 nan 0.000 0.489 318 T N 3.903 118.361 114.554 -0.160 0.000 2.759 318 T HA -0.200 4.154 4.350 0.007 0.000 0.269 318 T C 1.860 176.455 174.700 -0.175 0.000 1.042 318 T CA 0.984 62.930 62.100 -0.256 0.000 1.140 318 T CB 0.025 68.775 68.868 -0.198 0.000 0.864 318 T HN 0.432 nan 8.240 nan 0.000 0.455 319 R N 0.519 120.958 120.500 -0.101 0.000 2.081 319 R HA -0.063 4.282 4.340 0.007 0.000 0.235 319 R C 2.340 178.606 176.300 -0.057 0.000 1.131 319 R CA 1.130 57.195 56.100 -0.060 0.000 0.960 319 R CB -0.466 29.809 30.300 -0.042 0.000 0.856 319 R HN 0.247 nan 8.270 nan 0.000 0.436 320 V N 1.205 121.072 119.914 -0.078 0.000 2.427 320 V HA -0.216 3.909 4.120 0.007 0.000 0.248 320 V C 2.230 178.274 176.094 -0.083 0.000 1.051 320 V CA 1.482 63.732 62.300 -0.084 0.000 1.048 320 V CB -0.298 31.455 31.823 -0.117 0.000 0.666 320 V HN 0.335 nan 8.190 nan 0.000 0.456 321 L N -1.011 120.153 121.223 -0.099 0.000 2.109 321 L HA -0.111 4.234 4.340 0.007 0.000 0.207 321 L C 2.351 179.253 176.870 0.052 0.000 1.086 321 L CA 1.218 56.027 54.840 -0.052 0.000 0.760 321 L CB -0.452 41.511 42.059 -0.160 0.000 0.910 321 L HN 0.284 nan 8.230 nan 0.000 0.437 322 L N -0.424 120.821 121.223 0.036 0.000 2.027 322 L HA -0.193 4.152 4.340 0.007 0.000 0.206 322 L C 2.572 179.489 176.870 0.078 0.000 1.074 322 L CA 1.338 56.234 54.840 0.093 0.000 0.745 322 L CB -0.417 41.681 42.059 0.065 0.000 0.898 322 L HN 0.286 nan 8.230 nan 0.000 0.433 323 E N -0.177 120.049 120.200 0.043 0.000 2.077 323 E HA -0.227 4.128 4.350 0.007 0.000 0.193 323 E C 2.338 178.978 176.600 0.066 0.000 0.989 323 E CA 0.992 57.419 56.400 0.045 0.000 0.800 323 E CB -0.035 29.679 29.700 0.023 0.000 0.746 323 E HN 0.389 nan 8.360 nan 0.000 0.452 324 R N 0.655 121.192 120.500 0.063 0.000 2.081 324 R HA -0.157 4.187 4.340 0.007 0.000 0.235 324 R C 2.425 178.803 176.300 0.130 0.000 1.131 324 R CA 1.368 57.526 56.100 0.096 0.000 0.960 324 R CB -0.146 30.192 30.300 0.065 0.000 0.856 324 R HN 0.249 nan 8.270 nan 0.000 0.436 325 Q N 0.223 120.119 119.800 0.161 0.000 2.084 325 Q HA -0.202 4.143 4.340 0.007 0.000 0.202 325 Q C 2.138 178.272 176.000 0.223 0.000 0.978 325 Q CA 1.445 57.402 55.803 0.256 0.000 0.844 325 Q CB 0.031 28.929 28.738 0.266 0.000 0.898 325 Q HN 0.435 nan 8.270 nan 0.000 0.426 326 Q N -0.468 119.423 119.800 0.151 0.000 2.079 326 Q HA -0.118 4.226 4.340 0.007 0.000 0.200 326 Q C 2.107 178.164 176.000 0.094 0.000 0.974 326 Q CA 1.671 57.547 55.803 0.120 0.000 0.840 326 Q CB 0.022 28.812 28.738 0.087 0.000 0.898 326 Q HN 0.323 nan 8.270 nan 0.000 0.430 327 T N 1.210 115.812 114.554 0.080 0.000 2.684 327 T HA -0.143 4.211 4.350 0.007 0.000 0.267 327 T C 1.839 176.562 174.700 0.038 0.000 1.036 327 T CA 1.102 63.239 62.100 0.061 0.000 1.148 327 T CB -0.226 68.685 68.868 0.072 0.000 0.863 327 T HN 0.191 nan 8.240 nan 0.000 0.436 328 I N 1.085 121.660 120.570 0.007 0.000 2.208 328 I HA -0.133 4.041 4.170 0.007 0.000 0.245 328 I C 2.825 178.862 176.117 -0.133 0.000 1.097 328 I CA 1.406 62.634 61.300 -0.121 0.000 1.363 328 I CB -0.544 37.273 38.000 -0.305 0.000 1.051 328 I HN 0.325 nan 8.210 nan 0.000 0.413 329 G N -0.074 108.718 108.800 -0.014 0.000 2.403 329 G HA2 -0.126 3.838 3.960 0.007 0.000 0.216 329 G HA3 -0.126 3.838 3.960 0.007 0.000 0.216 329 G C 1.806 176.754 174.900 0.079 0.000 1.154 329 G CA 0.677 45.827 45.100 0.084 0.000 0.784 329 G HN 0.480 nan 8.290 nan 0.000 0.538 330 A N 0.262 123.134 122.820 0.088 0.000 1.968 330 A HA 0.288 4.612 4.320 0.007 0.000 0.217 330 A C 2.142 179.844 177.584 0.196 0.000 1.169 330 A CA 0.663 52.772 52.037 0.120 0.000 0.638 330 A CB -0.187 18.864 19.000 0.085 0.000 0.812 330 A HN 0.327 nan 8.150 nan 0.000 0.446 331 L N -0.905 120.406 121.223 0.146 0.000 2.607 331 L HA 0.078 4.422 4.340 0.007 0.000 0.228 331 L C 2.276 179.230 176.870 0.140 0.000 1.123 331 L CA 0.150 55.120 54.840 0.217 0.000 0.890 331 L CB -0.124 41.995 42.059 0.100 0.000 1.103 331 L HN 0.492 nan 8.230 nan 0.000 0.468 332 Q N 0.449 120.261 119.800 0.020 0.000 2.124 332 Q HA -0.212 4.132 4.340 0.007 0.000 0.202 332 Q C 1.210 177.066 176.000 -0.239 0.000 0.977 332 Q CA 1.667 57.406 55.803 -0.107 0.000 0.850 332 Q CB 0.283 28.954 28.738 -0.111 0.000 0.901 332 Q HN 0.449 nan 8.270 nan 0.000 0.429 333 D N -0.759 119.430 120.400 -0.351 0.000 2.277 333 D HA -0.082 4.562 4.640 0.007 0.000 0.208 333 D C 0.181 176.069 176.300 -0.686 0.000 0.962 333 D CA 0.770 54.388 54.000 -0.638 0.000 0.865 333 D CB 0.101 40.357 40.800 -0.906 0.000 0.939 333 D HN 0.270 nan 8.370 nan 0.000 0.510 334 F N 0.078 119.975 119.950 -0.089 0.000 2.730 334 F HA 0.237 4.768 4.527 0.007 0.000 0.295 334 F C 1.994 177.756 175.800 -0.063 0.000 1.143 334 F CA -0.176 57.785 58.000 -0.065 0.000 1.367 334 F CB 0.089 39.061 39.000 -0.047 0.000 0.970 334 F HN -0.257 nan 8.300 nan 0.000 0.514 335 T N 0.268 114.823 114.554 0.003 0.000 2.701 335 T HA -0.128 4.227 4.350 0.007 0.000 0.263 335 T C 2.342 177.039 174.700 -0.005 0.000 1.040 335 T CA 1.629 63.723 62.100 -0.010 0.000 1.147 335 T CB -0.115 68.715 68.868 -0.064 0.000 0.865 335 T HN 0.374 nan 8.240 nan 0.000 0.426 336 A N 0.510 123.314 122.820 -0.027 0.000 2.067 336 A HA 0.212 4.537 4.320 0.007 0.000 0.219 336 A C 2.378 179.965 177.584 0.005 0.000 1.158 336 A CA 1.695 53.723 52.037 -0.016 0.000 0.661 336 A CB -0.829 18.153 19.000 -0.031 0.000 0.801 336 A HN 0.528 nan 8.150 nan 0.000 0.452 337 G N -0.718 108.098 108.800 0.026 0.000 2.459 337 G HA2 0.069 4.034 3.960 0.007 0.000 0.213 337 G HA3 0.069 4.034 3.960 0.007 0.000 0.213 337 G C 1.452 176.373 174.900 0.035 0.000 1.155 337 G CA 0.546 45.669 45.100 0.039 0.000 0.811 337 G HN 0.385 nan 8.290 nan 0.000 0.534 338 L N -0.114 121.135 121.223 0.044 0.000 2.217 338 L HA 0.024 4.368 4.340 0.007 0.000 0.211 338 L C 3.035 179.912 176.870 0.012 0.000 1.107 338 L CA 0.699 55.556 54.840 0.028 0.000 0.783 338 L CB -0.140 41.941 42.059 0.036 0.000 0.919 338 L HN 0.232 nan 8.230 nan 0.000 0.442 339 Q N -0.175 119.631 119.800 0.009 0.000 2.049 339 Q HA -0.126 4.218 4.340 0.007 0.000 0.198 339 Q C -0.486 175.514 176.000 -0.000 0.000 0.971 339 Q CA 1.214 57.017 55.803 0.001 0.000 0.833 339 Q CB -0.756 27.981 28.738 -0.003 0.000 0.896 339 Q HN 0.391 nan 8.270 nan 0.000 0.434 340 P HA -0.103 nan 4.420 nan 0.000 0.222 340 P C 1.108 178.409 177.300 0.000 0.000 1.147 340 P CA 1.012 64.115 63.100 0.004 0.000 0.790 340 P CB 0.101 31.805 31.700 0.007 0.000 0.780 341 V N -0.941 118.970 119.914 -0.004 0.000 2.446 341 V HA -0.121 4.003 4.120 0.007 0.000 0.244 341 V C 2.354 178.437 176.094 -0.019 0.000 1.039 341 V CA 1.213 63.503 62.300 -0.016 0.000 1.045 341 V CB -1.120 30.695 31.823 -0.013 0.000 0.681 341 V HN 0.046 nan 8.190 nan 0.000 0.459 342 L N -0.011 121.206 121.223 -0.010 0.000 2.083 342 L HA -0.153 4.192 4.340 0.007 0.000 0.209 342 L C 2.728 179.592 176.870 -0.010 0.000 1.083 342 L CA 1.610 56.444 54.840 -0.010 0.000 0.752 342 L CB -0.577 41.477 42.059 -0.009 0.000 0.899 342 L HN 0.261 nan 8.230 nan 0.000 0.433 343 R N -0.120 120.376 120.500 -0.006 0.000 2.105 343 R HA -0.185 4.160 4.340 0.007 0.000 0.239 343 R C 2.164 178.471 176.300 0.013 0.000 1.135 343 R CA 1.256 57.357 56.100 0.002 0.000 0.967 343 R CB 0.030 30.334 30.300 0.006 0.000 0.861 343 R HN 0.382 nan 8.270 nan 0.000 0.442 344 Q N -0.145 119.659 119.800 0.006 0.000 2.378 344 Q HA -0.041 4.303 4.340 0.007 0.000 0.205 344 Q C 2.050 178.044 176.000 -0.010 0.000 0.954 344 Q CA 0.671 56.484 55.803 0.016 0.000 0.901 344 Q CB 0.215 28.909 28.738 -0.073 0.000 0.981 344 Q HN 0.252 nan 8.270 nan 0.000 0.483 345 V N 0.089 119.988 119.914 -0.026 0.000 2.515 345 V HA -0.102 4.022 4.120 0.007 0.000 0.250 345 V C 1.413 177.499 176.094 -0.014 0.000 1.058 345 V CA 1.383 63.667 62.300 -0.027 0.000 1.064 345 V CB -1.093 30.722 31.823 -0.013 0.000 0.675 345 V HN 0.563 nan 8.190 nan 0.000 0.461 346 G N 0.428 109.228 108.800 -0.001 0.000 2.598 346 G HA2 -0.312 3.652 3.960 0.007 0.000 0.244 346 G HA3 -0.312 3.652 3.960 0.007 0.000 0.244 346 G C -0.136 174.754 174.900 -0.016 0.000 1.302 346 G CA 0.206 45.305 45.100 -0.002 0.000 0.903 346 G HN 0.403 nan 8.290 nan 0.000 0.575 347 D N 0.643 121.031 120.400 -0.019 0.000 2.741 347 D HA 0.331 4.976 4.640 0.007 0.000 0.233 347 D C 1.817 178.099 176.300 -0.031 0.000 1.160 347 D CA -0.351 53.635 54.000 -0.023 0.000 1.003 347 D CB 0.233 41.020 40.800 -0.020 0.000 1.064 347 D HN 0.452 nan 8.370 nan 0.000 0.503 348 L N 1.903 123.104 121.223 -0.037 0.000 2.127 348 L HA -0.094 4.250 4.340 0.007 0.000 0.211 348 L C 1.923 178.770 176.870 -0.038 0.000 1.089 348 L CA 1.781 56.588 54.840 -0.055 0.000 0.757 348 L CB -0.319 41.706 42.059 -0.058 0.000 0.899 348 L HN 0.337 nan 8.230 nan 0.000 0.434 349 E N -0.564 119.625 120.200 -0.018 0.000 2.058 349 E HA -0.268 4.087 4.350 0.007 0.000 0.194 349 E C 2.274 178.872 176.600 -0.003 0.000 0.997 349 E CA 1.369 57.767 56.400 -0.004 0.000 0.801 349 E CB -0.057 29.642 29.700 -0.001 0.000 0.746 349 E HN 0.523 nan 8.360 nan 0.000 0.450 350 R N -0.151 120.342 120.500 -0.011 0.000 2.119 350 R HA 0.022 4.366 4.340 0.007 0.000 0.222 350 R C 2.507 178.797 176.300 -0.017 0.000 1.088 350 R CA 0.778 56.874 56.100 -0.008 0.000 0.984 350 R CB -0.132 30.161 30.300 -0.011 0.000 0.884 350 R HN 0.284 nan 8.270 nan 0.000 0.447 351 I N 0.969 121.521 120.570 -0.031 0.000 2.361 351 I HA -0.285 3.889 4.170 0.007 0.000 0.251 351 I C 1.945 178.027 176.117 -0.058 0.000 1.133 351 I CA 1.300 62.574 61.300 -0.044 0.000 1.413 351 I CB -0.058 37.906 38.000 -0.060 0.000 1.073 351 I HN 0.149 nan 8.210 nan 0.000 0.424 352 L N -0.174 121.022 121.223 -0.045 0.000 2.313 352 L HA -0.039 4.305 4.340 0.007 0.000 0.214 352 L C 2.700 179.550 176.870 -0.034 0.000 1.119 352 L CA 0.693 55.507 54.840 -0.044 0.000 0.809 352 L CB -0.520 41.528 42.059 -0.018 0.000 0.933 352 L HN 0.193 nan 8.230 nan 0.000 0.449 353 A N 0.384 123.209 122.820 0.008 0.000 1.873 353 A HA -0.162 4.163 4.320 0.007 0.000 0.215 353 A C 2.379 179.898 177.584 -0.108 0.000 1.186 353 A CA 1.171 53.243 52.037 0.058 0.000 0.616 353 A CB -0.361 18.714 19.000 0.125 0.000 0.823 353 A HN 0.278 nan 8.150 nan 0.000 0.442 354 R N -1.004 119.438 120.500 -0.098 0.000 2.120 354 R HA -0.106 4.238 4.340 0.007 0.000 0.234 354 R C 2.096 178.235 176.300 -0.267 0.000 1.123 354 R CA 1.359 57.374 56.100 -0.142 0.000 0.975 354 R CB -0.591 29.663 30.300 -0.077 0.000 0.866 354 R HN 0.517 nan 8.270 nan 0.000 0.446 355 L N 0.791 121.855 121.223 -0.266 0.000 2.046 355 L HA -0.103 4.241 4.340 0.007 0.000 0.208 355 L C 2.258 178.852 176.870 -0.460 0.000 1.077 355 L CA 1.967 56.559 54.840 -0.414 0.000 0.747 355 L CB -0.475 41.448 42.059 -0.226 0.000 0.896 355 L HN 0.092 nan 8.230 nan 0.000 0.432 356 A N -0.702 121.917 122.820 -0.335 0.000 1.969 356 A HA -0.064 4.261 4.320 0.007 0.000 0.218 356 A C 2.112 179.454 177.584 -0.404 0.000 1.169 356 A CA 1.675 53.498 52.037 -0.357 0.000 0.635 356 A CB -0.778 17.963 19.000 -0.430 0.000 0.810 356 A HN 0.500 nan 8.150 nan 0.000 0.445 357 L N -1.692 119.288 121.223 -0.406 0.000 2.591 357 L HA 0.124 4.469 4.340 0.007 0.000 0.228 357 L C 0.726 177.444 176.870 -0.253 0.000 1.133 357 L CA 0.009 54.667 54.840 -0.303 0.000 0.880 357 L CB -0.090 41.824 42.059 -0.240 0.000 1.033 357 L HN 0.367 nan 8.230 nan 0.000 0.450 358 R N -0.945 119.311 120.500 -0.407 0.000 3.875 358 R HA -0.184 4.161 4.340 0.007 0.000 0.321 358 R C 0.945 177.143 176.300 -0.170 0.000 1.196 358 R CA 0.960 56.764 56.100 -0.493 0.000 0.868 358 R CB -2.610 27.614 30.300 -0.127 0.000 1.333 358 R HN 0.506 nan 8.270 nan 0.000 0.522 359 T N -3.278 111.182 114.554 -0.157 0.000 3.105 359 T HA 0.485 4.839 4.350 0.007 0.000 0.253 359 T C 0.720 175.467 174.700 0.077 0.000 1.047 359 T CA 0.212 62.322 62.100 0.016 0.000 0.944 359 T CB 0.663 69.522 68.868 -0.015 0.000 1.016 359 T HN 0.420 nan 8.240 nan 0.000 0.544 360 A N 2.278 125.121 122.820 0.037 0.000 2.491 360 A HA 0.463 4.787 4.320 0.007 0.000 0.261 360 A C 0.581 178.402 177.584 0.394 0.000 1.101 360 A CA -0.510 51.617 52.037 0.150 0.000 0.772 360 A CB 0.037 19.070 19.000 0.054 0.000 1.043 360 A HN 0.585 nan 8.150 nan 0.000 0.501 361 R N 2.909 123.557 120.500 0.247 0.000 2.577 361 R HA 0.251 4.595 4.340 0.007 0.000 0.269 361 R C -1.784 174.670 176.300 0.256 0.000 1.084 361 R CA -1.674 54.559 56.100 0.222 0.000 1.163 361 R CB 0.056 30.412 30.300 0.093 0.000 1.100 361 R HN 0.401 nan 8.270 nan 0.000 0.547 362 P HA -0.129 nan 4.420 nan 0.000 0.218 362 P C 0.702 178.056 177.300 0.090 0.000 1.148 362 P CA 1.401 64.591 63.100 0.151 0.000 0.822 362 P CB 0.179 31.870 31.700 -0.014 0.000 0.784 363 R N -1.031 119.497 120.500 0.047 0.000 2.236 363 R HA -0.033 4.311 4.340 0.007 0.000 0.208 363 R C 1.594 177.904 176.300 0.016 0.000 1.036 363 R CA 0.712 56.822 56.100 0.016 0.000 1.001 363 R CB -0.351 29.946 30.300 -0.005 0.000 0.896 363 R HN 0.193 nan 8.270 nan 0.000 0.464 364 D N 0.658 121.084 120.400 0.044 0.000 2.097 364 D HA -0.131 4.513 4.640 0.007 0.000 0.197 364 D C 1.799 178.105 176.300 0.010 0.000 0.984 364 D CA 1.115 55.131 54.000 0.027 0.000 0.826 364 D CB 0.026 40.857 40.800 0.051 0.000 0.973 364 D HN 0.205 nan 8.370 nan 0.000 0.460 365 L N 0.646 121.901 121.223 0.054 0.000 2.217 365 L HA -0.034 4.310 4.340 0.007 0.000 0.211 365 L C 2.505 179.366 176.870 -0.015 0.000 1.107 365 L CA 0.645 55.498 54.840 0.021 0.000 0.783 365 L CB -0.418 41.679 42.059 0.064 0.000 0.919 365 L HN -0.045 nan 8.230 nan 0.000 0.442 366 A N 0.435 123.256 122.820 0.001 0.000 1.898 366 A HA -0.171 4.153 4.320 0.007 0.000 0.216 366 A C 2.396 179.963 177.584 -0.028 0.000 1.181 366 A CA 1.280 53.308 52.037 -0.014 0.000 0.620 366 A CB -0.354 18.635 19.000 -0.019 0.000 0.819 366 A HN 0.314 nan 8.150 nan 0.000 0.442 367 R N -1.417 119.059 120.500 -0.039 0.000 2.193 367 R HA 0.109 4.453 4.340 0.007 0.000 0.213 367 R C 2.197 178.442 176.300 -0.092 0.000 1.055 367 R CA 1.003 57.086 56.100 -0.027 0.000 0.995 367 R CB -0.271 30.011 30.300 -0.030 0.000 0.893 367 R HN 0.656 nan 8.270 nan 0.000 0.459 368 M N 0.576 120.064 119.600 -0.187 0.000 2.175 368 M HA -0.167 4.318 4.480 0.007 0.000 0.264 368 M C 2.330 178.212 176.300 -0.696 0.000 1.063 368 M CA 1.564 56.601 55.300 -0.438 0.000 1.119 368 M CB -0.013 32.358 32.600 -0.383 0.000 1.377 368 M HN -0.021 nan 8.290 nan 0.000 0.415 369 R N -1.315 118.995 120.500 -0.317 0.000 2.090 369 R HA -0.210 4.134 4.340 0.007 0.000 0.228 369 R C 2.079 178.382 176.300 0.004 0.000 1.110 369 R CA 1.786 57.821 56.100 -0.109 0.000 0.973 369 R CB -0.441 29.875 30.300 0.026 0.000 0.869 369 R HN 0.451 nan 8.270 nan 0.000 0.440 370 H N 0.191 119.200 119.070 -0.102 0.000 2.421 370 H HA 0.045 4.605 4.556 0.007 0.000 0.298 370 H C 1.671 176.970 175.328 -0.047 0.000 1.087 370 H CA 1.812 57.830 56.048 -0.050 0.000 1.330 370 H CB -0.016 29.716 29.762 -0.050 0.000 1.388 370 H HN 0.374 nan 8.280 nan 0.000 0.526 371 A N -0.202 122.547 122.820 -0.119 0.000 1.897 371 A HA -0.080 4.244 4.320 0.007 0.000 0.215 371 A C 1.934 179.524 177.584 0.010 0.000 1.181 371 A CA 1.162 53.122 52.037 -0.129 0.000 0.620 371 A CB -0.848 18.041 19.000 -0.186 0.000 0.821 371 A HN 0.383 nan 8.150 nan 0.000 0.443 372 F N 0.415 120.373 119.950 0.013 0.000 2.202 372 F HA -0.157 4.374 4.527 0.007 0.000 0.301 372 F C 2.482 178.292 175.800 0.017 0.000 1.082 372 F CA 1.277 59.308 58.000 0.051 0.000 1.313 372 F CB -1.023 38.014 39.000 0.061 0.000 1.024 372 F HN 0.344 nan 8.300 nan 0.000 0.495 373 Q N -0.500 119.389 119.800 0.149 0.000 2.436 373 Q HA -0.120 4.224 4.340 0.007 0.000 0.209 373 Q C 1.745 177.737 176.000 -0.014 0.000 0.965 373 Q CA 0.595 56.428 55.803 0.051 0.000 0.910 373 Q CB -0.018 28.727 28.738 0.012 0.000 0.980 373 Q HN 0.401 nan 8.270 nan 0.000 0.491 374 Q N -0.392 119.390 119.800 -0.031 0.000 2.402 374 Q HA 0.074 4.418 4.340 0.007 0.000 0.206 374 Q C 1.890 177.894 176.000 0.007 0.000 0.919 374 Q CA 0.342 56.119 55.803 -0.044 0.000 0.923 374 Q CB 0.378 29.066 28.738 -0.083 0.000 1.048 374 Q HN 0.423 nan 8.270 nan 0.000 0.515 375 L N 1.008 122.263 121.223 0.054 0.000 2.046 375 L HA -0.130 4.214 4.340 0.007 0.000 0.208 375 L C -0.527 176.351 176.870 0.013 0.000 1.077 375 L CA 1.344 56.218 54.840 0.056 0.000 0.747 375 L CB -1.776 40.349 42.059 0.110 0.000 0.896 375 L HN 0.123 nan 8.230 nan 0.000 0.432 376 P HA -0.173 nan 4.420 nan 0.000 0.217 376 P C 1.298 178.589 177.300 -0.015 0.000 1.150 376 P CA 1.073 64.166 63.100 -0.012 0.000 0.832 376 P CB 0.115 31.810 31.700 -0.009 0.000 0.787 377 E N 0.055 120.248 120.200 -0.011 0.000 2.110 377 E HA -0.137 4.217 4.350 0.007 0.000 0.193 377 E C 1.843 178.432 176.600 -0.018 0.000 0.988 377 E CA 1.201 57.593 56.400 -0.014 0.000 0.804 377 E CB -1.196 28.496 29.700 -0.013 0.000 0.745 377 E HN 0.149 nan 8.360 nan 0.000 0.458 378 L N -0.259 120.954 121.223 -0.016 0.000 2.179 378 L HA 0.027 4.371 4.340 0.007 0.000 0.208 378 L C 2.609 179.458 176.870 -0.035 0.000 1.096 378 L CA 0.741 55.568 54.840 -0.021 0.000 0.779 378 L CB -0.209 41.845 42.059 -0.008 0.000 0.922 378 L HN 0.089 nan 8.230 nan 0.000 0.443 379 R N -0.117 120.362 120.500 -0.034 0.000 2.092 379 R HA -0.088 4.257 4.340 0.007 0.000 0.231 379 R C 2.400 178.666 176.300 -0.055 0.000 1.119 379 R CA 1.245 57.317 56.100 -0.047 0.000 0.970 379 R CB -0.372 29.900 30.300 -0.046 0.000 0.864 379 R HN 0.301 nan 8.270 nan 0.000 0.440 380 A N 1.016 123.808 122.820 -0.047 0.000 1.902 380 A HA -0.195 4.129 4.320 0.007 0.000 0.217 380 A C 2.026 179.569 177.584 -0.068 0.000 1.181 380 A CA 1.159 53.167 52.037 -0.048 0.000 0.623 380 A CB -0.331 18.649 19.000 -0.032 0.000 0.818 380 A HN 0.299 nan 8.150 nan 0.000 0.443 381 Q N -0.868 118.891 119.800 -0.069 0.000 2.172 381 Q HA 0.060 4.405 4.340 0.007 0.000 0.200 381 Q C 1.735 177.620 176.000 -0.192 0.000 0.964 381 Q CA 0.928 56.672 55.803 -0.099 0.000 0.855 381 Q CB -0.107 28.599 28.738 -0.053 0.000 0.918 381 Q HN 0.674 nan 8.270 nan 0.000 0.444 382 L N -0.035 121.097 121.223 -0.151 0.000 2.509 382 L HA -0.013 4.331 4.340 0.007 0.000 0.222 382 L C 2.112 178.883 176.870 -0.165 0.000 1.123 382 L CA 0.228 54.963 54.840 -0.175 0.000 0.856 382 L CB -0.082 41.914 42.059 -0.106 0.000 0.985 382 L HN 0.253 nan 8.230 nan 0.000 0.456 383 E N 0.664 120.783 120.200 -0.135 0.000 2.077 383 E HA -0.252 4.102 4.350 0.007 0.000 0.193 383 E C 2.139 178.665 176.600 -0.124 0.000 0.989 383 E CA 1.965 58.301 56.400 -0.107 0.000 0.800 383 E CB 0.108 29.760 29.700 -0.079 0.000 0.746 383 E HN 0.451 nan 8.360 nan 0.000 0.452 384 T N -1.412 113.040 114.554 -0.169 0.000 2.915 384 T HA -0.042 4.312 4.350 0.007 0.000 0.269 384 T C 0.951 175.535 174.700 -0.194 0.000 1.071 384 T CA 0.642 62.645 62.100 -0.163 0.000 1.132 384 T CB -0.288 68.478 68.868 -0.170 0.000 0.878 384 T HN -0.046 nan 8.240 nan 0.000 0.479 385 V N 3.549 123.284 119.914 -0.298 0.000 2.403 385 V HA 0.141 4.265 4.120 0.007 0.000 0.265 385 V C 0.519 176.549 176.094 -0.107 0.000 1.034 385 V CA -0.553 61.592 62.300 -0.259 0.000 1.036 385 V CB 0.261 31.879 31.823 -0.341 0.000 1.032 385 V HN 0.485 nan 8.190 nan 0.000 0.478 386 D N 4.455 124.827 120.400 -0.046 0.000 2.455 386 D HA 0.133 4.777 4.640 0.007 0.000 0.234 386 D C -0.165 176.135 176.300 -0.000 0.000 1.224 386 D CA 0.363 54.352 54.000 -0.017 0.000 0.999 386 D CB 0.658 41.458 40.800 0.001 0.000 1.072 386 D HN 0.567 nan 8.370 nan 0.000 0.514 387 S N 2.090 117.786 115.700 -0.008 0.000 2.649 387 S HA 0.474 4.948 4.470 0.007 0.000 0.274 387 S C 0.635 175.236 174.600 0.002 0.000 1.176 387 S CA -0.178 58.027 58.200 0.008 0.000 0.988 387 S CB 1.384 64.594 63.200 0.017 0.000 1.071 387 S HN 0.342 nan 8.310 nan 0.000 0.478 388 A N 6.157 128.982 122.820 0.008 0.000 1.902 388 A HA 0.151 4.475 4.320 0.007 0.000 0.217 388 A C -0.769 176.819 177.584 0.008 0.000 1.181 388 A CA 1.582 53.622 52.037 0.005 0.000 0.623 388 A CB -1.721 17.284 19.000 0.007 0.000 0.818 388 A HN 0.672 nan 8.150 nan 0.000 0.443 389 P HA -0.087 nan 4.420 nan 0.000 0.217 389 P C 1.531 178.844 177.300 0.021 0.000 1.150 389 P CA 1.140 64.254 63.100 0.024 0.000 0.832 389 P CB -0.140 31.582 31.700 0.036 0.000 0.787 390 V N -0.078 119.844 119.914 0.012 0.000 2.427 390 V HA -0.220 3.904 4.120 0.007 0.000 0.248 390 V C 2.402 178.486 176.094 -0.016 0.000 1.051 390 V CA 1.663 63.961 62.300 -0.002 0.000 1.048 390 V CB -1.084 30.727 31.823 -0.021 0.000 0.666 390 V HN 0.153 nan 8.190 nan 0.000 0.456 391 Q N -0.290 119.499 119.800 -0.018 0.000 2.311 391 Q HA 0.071 4.415 4.340 0.007 0.000 0.203 391 Q C 2.347 178.337 176.000 -0.016 0.000 0.954 391 Q CA 1.389 57.177 55.803 -0.025 0.000 0.885 391 Q CB -0.399 28.323 28.738 -0.027 0.000 0.963 391 Q HN 0.648 nan 8.270 nan 0.000 0.471 392 A N 0.616 123.433 122.820 -0.004 0.000 1.929 392 A HA -0.049 4.275 4.320 0.007 0.000 0.216 392 A C 2.147 179.736 177.584 0.009 0.000 1.176 392 A CA 0.707 52.746 52.037 0.003 0.000 0.628 392 A CB -0.445 18.561 19.000 0.011 0.000 0.816 392 A HN 0.278 nan 8.150 nan 0.000 0.444 393 L N -1.246 119.986 121.223 0.015 0.000 2.179 393 L HA -0.043 4.301 4.340 0.007 0.000 0.208 393 L C 2.684 179.560 176.870 0.009 0.000 1.096 393 L CA 1.141 55.995 54.840 0.024 0.000 0.779 393 L CB -0.318 41.761 42.059 0.034 0.000 0.922 393 L HN 0.420 nan 8.230 nan 0.000 0.443 394 R N 0.249 120.744 120.500 -0.008 0.000 2.096 394 R HA -0.227 4.117 4.340 0.007 0.000 0.235 394 R C 2.163 178.443 176.300 -0.033 0.000 1.127 394 R CA 1.599 57.685 56.100 -0.024 0.000 0.968 394 R CB 0.064 30.341 30.300 -0.038 0.000 0.861 394 R HN 0.184 nan 8.270 nan 0.000 0.440 395 E N 0.560 120.742 120.200 -0.030 0.000 2.107 395 E HA -0.155 4.199 4.350 0.007 0.000 0.191 395 E C 1.691 178.269 176.600 -0.037 0.000 0.982 395 E CA 1.320 57.695 56.400 -0.042 0.000 0.809 395 E CB 0.087 29.767 29.700 -0.032 0.000 0.756 395 E HN 0.207 nan 8.360 nan 0.000 0.459 396 K N 0.004 120.401 120.400 -0.005 0.000 2.217 396 K HA -0.063 4.261 4.320 0.007 0.000 0.202 396 K C 2.065 178.690 176.600 0.042 0.000 1.051 396 K CA 1.341 57.641 56.287 0.021 0.000 0.952 396 K CB -0.124 32.401 32.500 0.042 0.000 0.736 396 K HN 0.329 nan 8.250 nan 0.000 0.453 397 M N -1.336 118.283 119.600 0.033 0.000 2.562 397 M HA 0.163 4.648 4.480 0.007 0.000 0.257 397 M C 0.907 177.222 176.300 0.024 0.000 1.099 397 M CA 0.997 56.346 55.300 0.080 0.000 1.099 397 M CB -0.297 32.345 32.600 0.070 0.000 1.427 397 M HN 0.104 nan 8.290 nan 0.000 0.489 398 G N 1.238 109.948 108.800 -0.150 0.000 2.641 398 G HA2 -0.316 3.649 3.960 0.007 0.000 0.254 398 G HA3 -0.316 3.649 3.960 0.007 0.000 0.254 398 G C 0.034 174.681 174.900 -0.423 0.000 1.315 398 G CA 0.472 45.293 45.100 -0.465 0.000 0.907 398 G HN 0.619 nan 8.290 nan 0.000 0.572 399 E N -2.415 117.372 120.200 -0.688 0.000 2.783 399 E HA 0.277 4.631 4.350 0.007 0.000 0.205 399 E C 0.047 176.462 176.600 -0.308 0.000 0.955 399 E CA 0.147 56.342 56.400 -0.341 0.000 1.594 399 E CB 0.545 30.102 29.700 -0.238 0.000 1.686 399 E HN 0.851 nan 8.360 nan 0.000 0.902 400 F N 0.167 119.946 119.950 -0.285 0.000 2.807 400 F HA -0.259 4.272 4.527 0.007 0.000 0.297 400 F C 0.846 176.380 175.800 -0.443 0.000 1.024 400 F CA 0.431 58.138 58.000 -0.488 0.000 1.008 400 F CB -1.867 36.581 39.000 -0.919 0.000 1.142 400 F HN 0.176 nan 8.300 nan 0.000 0.829 401 A N 0.156 122.873 122.820 -0.171 0.000 1.898 401 A HA -0.142 4.183 4.320 0.007 0.000 0.216 401 A C 2.118 179.645 177.584 -0.096 0.000 1.181 401 A CA 1.664 53.634 52.037 -0.112 0.000 0.620 401 A CB -0.248 18.700 19.000 -0.088 0.000 0.819 401 A HN 0.647 nan 8.150 nan 0.000 0.442 402 E N -0.344 119.793 120.200 -0.106 0.000 2.204 402 E HA -0.088 4.266 4.350 0.007 0.000 0.194 402 E C 1.806 178.370 176.600 -0.061 0.000 0.989 402 E CA 0.898 57.258 56.400 -0.068 0.000 0.824 402 E CB -0.177 29.485 29.700 -0.064 0.000 0.756 402 E HN 0.643 nan 8.360 nan 0.000 0.477 403 L N 0.129 121.270 121.223 -0.137 0.000 2.249 403 L HA 0.016 4.360 4.340 0.007 0.000 0.207 403 L C 2.631 179.510 176.870 0.016 0.000 1.090 403 L CA 0.284 55.068 54.840 -0.093 0.000 0.802 403 L CB -0.255 41.674 42.059 -0.217 0.000 0.947 403 L HN -0.017 nan 8.230 nan 0.000 0.453 404 R N 0.697 121.167 120.500 -0.051 0.000 2.096 404 R HA -0.224 4.120 4.340 0.007 0.000 0.235 404 R C 1.630 177.998 176.300 0.113 0.000 1.127 404 R CA 2.143 58.353 56.100 0.183 0.000 0.968 404 R CB -0.172 30.207 30.300 0.131 0.000 0.861 404 R HN 0.338 nan 8.270 nan 0.000 0.440 405 D N -0.110 120.319 120.400 0.048 0.000 2.149 405 D HA -0.142 4.503 4.640 0.007 0.000 0.201 405 D C 1.967 178.291 176.300 0.039 0.000 0.972 405 D CA 0.548 54.572 54.000 0.040 0.000 0.835 405 D CB 0.055 40.870 40.800 0.025 0.000 0.966 405 D HN 0.158 nan 8.370 nan 0.000 0.476 406 L N 0.122 121.369 121.223 0.040 0.000 2.046 406 L HA -0.041 4.303 4.340 0.007 0.000 0.208 406 L C 1.870 178.717 176.870 -0.039 0.000 1.077 406 L CA 1.567 56.422 54.840 0.025 0.000 0.747 406 L CB -0.362 41.727 42.059 0.050 0.000 0.896 406 L HN 0.151 nan 8.230 nan 0.000 0.432 407 L N -0.941 120.291 121.223 0.015 0.000 2.240 407 L HA -0.093 4.251 4.340 0.007 0.000 0.211 407 L C 2.402 179.259 176.870 -0.021 0.000 1.106 407 L CA 0.847 55.682 54.840 -0.009 0.000 0.793 407 L CB -0.431 41.669 42.059 0.069 0.000 0.927 407 L HN 0.351 nan 8.230 nan 0.000 0.446 408 E N -0.006 120.202 120.200 0.013 0.000 2.152 408 E HA -0.134 4.220 4.350 0.007 0.000 0.192 408 E C 2.124 178.719 176.600 -0.009 0.000 0.983 408 E CA 0.685 57.094 56.400 0.016 0.000 0.818 408 E CB 0.163 29.888 29.700 0.041 0.000 0.758 408 E HN 0.379 nan 8.360 nan 0.000 0.467 409 R N -0.460 120.024 120.500 -0.028 0.000 2.246 409 R HA 0.149 4.494 4.340 0.007 0.000 0.199 409 R C 1.693 177.916 176.300 -0.128 0.000 0.984 409 R CA 0.655 56.746 56.100 -0.015 0.000 1.015 409 R CB 0.398 30.731 30.300 0.056 0.000 0.930 409 R HN 0.030 nan 8.270 nan 0.000 0.475 410 A N 0.332 122.959 122.820 -0.322 0.000 2.108 410 A HA 0.246 4.570 4.320 0.007 0.000 0.206 410 A C 0.599 178.023 177.584 -0.267 0.000 1.212 410 A CA 0.272 51.916 52.037 -0.654 0.000 0.843 410 A CB 0.695 19.092 19.000 -1.005 0.000 0.902 410 A HN -0.035 nan 8.150 nan 0.000 0.477 411 I N 1.446 121.937 120.570 -0.132 0.000 2.603 411 I HA 0.351 4.525 4.170 0.007 0.000 0.300 411 I C -0.327 175.779 176.117 -0.018 0.000 1.017 411 I CA -1.089 60.185 61.300 -0.044 0.000 1.098 411 I CB 1.268 39.261 38.000 -0.012 0.000 1.279 411 I HN -0.022 nan 8.210 nan 0.000 0.437 412 I N 3.537 124.105 120.570 -0.004 0.000 3.045 412 I HA -0.082 4.092 4.170 0.007 0.000 0.288 412 I C 1.561 177.676 176.117 -0.003 0.000 1.238 412 I CA 0.396 61.696 61.300 -0.001 0.000 1.396 412 I CB -0.207 37.792 38.000 -0.002 0.000 1.355 412 I HN 0.535 nan 8.210 nan 0.000 0.601 413 D N 2.100 122.498 120.400 -0.003 0.000 2.092 413 D HA -0.120 4.524 4.640 0.007 0.000 0.193 413 D C 0.817 177.104 176.300 -0.020 0.000 0.994 413 D CA 1.903 55.899 54.000 -0.007 0.000 0.828 413 D CB -0.026 40.772 40.800 -0.005 0.000 0.963 413 D HN 0.730 nan 8.370 nan 0.000 0.450 414 T N -0.777 113.765 114.554 -0.021 0.000 3.141 414 T HA 0.493 4.847 4.350 0.007 0.000 0.377 414 T C -2.668 172.018 174.700 -0.023 0.000 1.258 414 T CA -1.580 60.502 62.100 -0.029 0.000 1.263 414 T CB 2.028 70.876 68.868 -0.032 0.000 1.066 414 T HN -0.151 nan 8.240 nan 0.000 0.546 415 P HA 0.536 nan 4.420 nan 0.000 0.277 415 P C -2.730 174.553 177.300 -0.029 0.000 1.271 415 P CA -1.618 61.469 63.100 -0.022 0.000 0.795 415 P CB -0.089 31.603 31.700 -0.013 0.000 1.101 416 P HA 0.016 nan 4.420 nan 0.000 0.275 416 P C 1.128 178.403 177.300 -0.042 0.000 1.266 416 P CA -0.317 62.758 63.100 -0.041 0.000 0.793 416 P CB 0.102 31.771 31.700 -0.050 0.000 1.074 417 V N -2.432 117.460 119.914 -0.037 0.000 2.515 417 V HA -0.013 4.112 4.120 0.007 0.000 0.250 417 V C 0.803 176.875 176.094 -0.037 0.000 1.058 417 V CA 1.426 63.709 62.300 -0.030 0.000 1.064 417 V CB -1.185 30.623 31.823 -0.025 0.000 0.675 417 V HN 0.198 nan 8.190 nan 0.000 0.461 418 L N -1.413 119.775 121.223 -0.058 0.000 2.309 418 L HA 0.531 4.875 4.340 0.007 0.000 0.261 418 L C 0.703 177.488 176.870 -0.143 0.000 1.021 418 L CA -0.328 54.465 54.840 -0.079 0.000 0.823 418 L CB 2.346 44.376 42.059 -0.048 0.000 1.366 418 L HN -0.150 nan 8.230 nan 0.000 0.423 419 V N 0.957 120.743 119.914 -0.214 0.000 3.590 419 V HA 0.028 4.152 4.120 0.007 0.000 0.265 419 V C 2.237 178.229 176.094 -0.170 0.000 1.239 419 V CA 0.797 62.915 62.300 -0.302 0.000 1.117 419 V CB -0.246 31.204 31.823 -0.621 0.000 0.818 419 V HN 0.818 nan 8.190 nan 0.000 0.451 420 R N 0.390 120.831 120.500 -0.099 0.000 2.103 420 R HA -0.195 4.149 4.340 0.007 0.000 0.242 420 R C 1.508 177.779 176.300 -0.049 0.000 1.142 420 R CA 2.371 58.443 56.100 -0.047 0.000 0.960 420 R CB -0.231 30.069 30.300 0.001 0.000 0.858 420 R HN 0.551 nan 8.270 nan 0.000 0.439 421 D N -0.710 119.655 120.400 -0.058 0.000 2.348 421 D HA 0.129 4.774 4.640 0.007 0.000 0.211 421 D C 0.971 177.236 176.300 -0.059 0.000 0.998 421 D CA 1.000 54.969 54.000 -0.053 0.000 0.873 421 D CB 0.569 41.340 40.800 -0.049 0.000 0.925 421 D HN 0.500 nan 8.370 nan 0.000 0.524 422 G N 0.247 109.002 108.800 -0.075 0.000 2.725 422 G HA2 0.052 4.016 3.960 0.007 0.000 0.220 422 G HA3 0.052 4.016 3.960 0.007 0.000 0.220 422 G C 0.708 175.573 174.900 -0.058 0.000 1.357 422 G CA -0.144 44.915 45.100 -0.068 0.000 0.866 422 G HN 0.773 nan 8.290 nan 0.000 0.548 423 G N -2.970 105.807 108.800 -0.038 0.000 2.137 423 G HA2 0.026 3.990 3.960 0.007 0.000 0.237 423 G HA3 0.026 3.990 3.960 0.007 0.000 0.237 423 G C 1.064 175.946 174.900 -0.030 0.000 1.002 423 G CA 1.314 46.399 45.100 -0.026 0.000 0.702 423 G HN 1.831 nan 8.290 nan 0.000 0.515 424 V N 0.346 120.236 119.914 -0.040 0.000 2.521 424 V HA 0.294 4.418 4.120 0.007 0.000 0.239 424 V C 1.660 177.760 176.094 0.009 0.000 1.053 424 V CA 0.823 63.102 62.300 -0.036 0.000 1.073 424 V CB -0.052 31.705 31.823 -0.109 0.000 0.746 424 V HN 0.368 nan 8.190 nan 0.000 0.476 425 I N 1.369 121.958 120.570 0.033 0.000 2.529 425 I HA 0.394 4.568 4.170 0.007 0.000 0.284 425 I C 0.540 176.696 176.117 0.065 0.000 1.082 425 I CA 0.067 61.407 61.300 0.067 0.000 1.406 425 I CB 0.643 38.724 38.000 0.135 0.000 1.405 425 I HN 0.192 nan 8.210 nan 0.000 0.548 426 A N 5.279 128.134 122.820 0.059 0.000 2.252 426 A HA 0.527 4.852 4.320 0.007 0.000 0.305 426 A C 0.364 178.006 177.584 0.096 0.000 1.097 426 A CA -0.424 51.648 52.037 0.059 0.000 0.849 426 A CB 0.332 19.352 19.000 0.033 0.000 1.142 426 A HN 0.711 nan 8.150 nan 0.000 0.499 427 S N -0.397 115.346 115.700 0.072 0.000 2.533 427 S HA 0.447 4.922 4.470 0.007 0.000 0.282 427 S C 1.269 175.920 174.600 0.086 0.000 1.304 427 S CA 0.661 58.904 58.200 0.071 0.000 1.063 427 S CB 0.715 63.943 63.200 0.048 0.000 0.881 427 S HN 2.104 nan 8.310 nan 0.000 0.493 428 G N 1.668 110.520 108.800 0.088 0.000 2.254 428 G HA2 -0.311 3.653 3.960 0.007 0.000 0.225 428 G HA3 -0.311 3.653 3.960 0.007 0.000 0.225 428 G C 0.644 175.618 174.900 0.125 0.000 1.003 428 G CA 0.277 45.428 45.100 0.084 0.000 0.622 428 G HN 0.687 nan 8.290 nan 0.000 0.507 429 Y N 1.923 122.236 120.300 0.022 0.000 2.242 429 Y HA 0.259 4.813 4.550 0.007 0.000 0.291 429 Y C 1.015 176.929 175.900 0.023 0.000 1.137 429 Y CA 1.629 59.744 58.100 0.024 0.000 1.181 429 Y CB 0.316 38.794 38.460 0.029 0.000 0.989 429 Y HN 0.305 nan 8.280 nan 0.000 0.527 430 N N 0.176 118.838 118.700 -0.062 0.000 2.430 430 N HA 0.067 4.811 4.740 0.007 0.000 0.290 430 N C 0.023 175.511 175.510 -0.037 0.000 1.063 430 N CA -0.073 52.899 53.050 -0.129 0.000 0.883 430 N CB 1.561 39.983 38.487 -0.109 0.000 1.465 430 N HN 0.217 nan 8.380 nan 0.000 0.493 431 E N 1.528 121.695 120.200 -0.055 0.000 2.110 431 E HA -0.180 4.175 4.350 0.007 0.000 0.193 431 E C 1.068 177.636 176.600 -0.054 0.000 0.988 431 E CA 1.216 57.589 56.400 -0.046 0.000 0.804 431 E CB 0.291 29.956 29.700 -0.058 0.000 0.745 431 E HN 0.649 nan 8.360 nan 0.000 0.458 432 E N 0.161 120.334 120.200 -0.045 0.000 2.106 432 E HA -0.197 4.157 4.350 0.007 0.000 0.192 432 E C 2.028 178.656 176.600 0.047 0.000 0.984 432 E CA 0.493 56.860 56.400 -0.055 0.000 0.806 432 E CB 0.063 29.778 29.700 0.024 0.000 0.750 432 E HN 0.132 nan 8.360 nan 0.000 0.458 433 L N 1.151 122.443 121.223 0.115 0.000 2.141 433 L HA -0.162 4.182 4.340 0.007 0.000 0.209 433 L C 1.478 178.428 176.870 0.132 0.000 1.094 433 L CA 1.662 56.610 54.840 0.180 0.000 0.763 433 L CB -0.066 42.072 42.059 0.132 0.000 0.908 433 L HN 0.042 nan 8.230 nan 0.000 0.437 434 D N -0.556 119.879 120.400 0.057 0.000 2.183 434 D HA -0.189 4.455 4.640 0.007 0.000 0.203 434 D C 1.961 178.262 176.300 0.002 0.000 0.969 434 D CA 1.392 55.412 54.000 0.033 0.000 0.842 434 D CB -0.026 40.781 40.800 0.013 0.000 0.957 434 D HN 0.668 nan 8.370 nan 0.000 0.484 435 E N -0.769 119.390 120.200 -0.069 0.000 2.435 435 E HA -0.107 4.247 4.350 0.007 0.000 0.195 435 E C 1.512 178.020 176.600 -0.153 0.000 1.029 435 E CA 0.192 56.499 56.400 -0.155 0.000 0.865 435 E CB -0.466 29.073 29.700 -0.268 0.000 0.833 435 E HN 0.397 nan 8.360 nan 0.000 0.510 436 W N 1.929 123.213 121.300 -0.026 0.000 2.863 436 W HA 0.140 4.804 4.660 0.007 0.000 0.258 436 W C 2.440 178.938 176.519 -0.035 0.000 1.298 436 W CA -0.054 57.271 57.345 -0.034 0.000 1.451 436 W CB 0.457 29.898 29.460 -0.031 0.000 1.107 436 W HN 0.048 nan 8.180 nan 0.000 0.641 437 R N 1.090 121.701 120.500 0.184 0.000 2.299 437 R HA 0.194 4.538 4.340 0.007 0.000 0.197 437 R C 0.794 177.133 176.300 0.065 0.000 0.971 437 R CA 0.541 56.702 56.100 0.102 0.000 1.030 437 R CB -0.357 29.988 30.300 0.074 0.000 0.932 437 R HN -0.069 nan 8.270 nan 0.000 0.477 438 A N 2.035 124.889 122.820 0.057 0.000 2.752 438 A HA 0.260 4.584 4.320 0.007 0.000 0.292 438 A C 0.621 178.226 177.584 0.034 0.000 1.597 438 A CA 0.215 52.271 52.037 0.031 0.000 1.241 438 A CB -0.469 18.533 19.000 0.003 0.000 1.061 438 A HN 0.729 nan 8.150 nan 0.000 0.576 439 L N 0.663 121.906 121.223 0.034 0.000 1.247 439 L HA 0.177 4.521 4.340 0.007 0.000 0.086 439 L C 1.655 178.546 176.870 0.035 0.000 1.423 439 L CA 1.188 56.038 54.840 0.017 0.000 1.181 439 L CB -0.835 41.221 42.059 -0.005 0.000 2.435 439 L HN 0.396 nan 8.230 nan 0.000 0.460 440 A N -0.471 122.367 122.820 0.031 0.000 1.930 440 A HA -0.070 4.255 4.320 0.007 0.000 0.217 440 A C 1.806 179.415 177.584 0.041 0.000 1.175 440 A CA 2.035 54.090 52.037 0.030 0.000 0.627 440 A CB -0.591 18.423 19.000 0.022 0.000 0.815 440 A HN 0.637 nan 8.150 nan 0.000 0.443 441 D N -1.592 118.834 120.400 0.044 0.000 2.395 441 D HA 0.144 4.789 4.640 0.007 0.000 0.213 441 D C 1.610 177.948 176.300 0.063 0.000 1.110 441 D CA 0.724 54.752 54.000 0.047 0.000 0.835 441 D CB 0.176 40.997 40.800 0.035 0.000 0.965 441 D HN 0.354 nan 8.370 nan 0.000 0.505 442 G N 0.169 109.016 108.800 0.077 0.000 2.623 442 G HA2 0.214 4.178 3.960 0.007 0.000 0.214 442 G HA3 0.214 4.178 3.960 0.007 0.000 0.214 442 G C 0.698 175.708 174.900 0.184 0.000 1.138 442 G CA 0.405 45.573 45.100 0.113 0.000 0.794 442 G HN 0.305 nan 8.290 nan 0.000 0.535 443 A N -0.122 122.800 122.820 0.170 0.000 2.305 443 A HA 0.603 4.928 4.320 0.007 0.000 0.322 443 A C 1.291 178.946 177.584 0.120 0.000 1.187 443 A CA 0.737 52.898 52.037 0.206 0.000 0.825 443 A CB 0.473 19.603 19.000 0.216 0.000 1.164 443 A HN 1.308 nan 8.150 nan 0.000 0.498 444 T N -0.564 114.047 114.554 0.095 0.000 9.545 444 T HA -0.319 4.035 4.350 0.007 0.000 0.344 444 T C 0.776 175.491 174.700 0.026 0.000 1.908 444 T CA 2.224 64.352 62.100 0.046 0.000 3.011 444 T CB -2.251 66.644 68.868 0.046 0.000 2.298 444 T HN 0.641 nan 8.240 nan 0.000 0.992 445 D N 0.098 120.527 120.400 0.049 0.000 2.078 445 D HA 0.042 4.686 4.640 0.007 0.000 0.193 445 D C 1.626 177.942 176.300 0.026 0.000 0.990 445 D CA 1.858 55.883 54.000 0.041 0.000 0.827 445 D CB -0.290 40.549 40.800 0.066 0.000 0.975 445 D HN 0.743 nan 8.370 nan 0.000 0.451 446 Y N 0.337 120.579 120.300 -0.096 0.000 2.243 446 Y HA 0.077 4.631 4.550 0.007 0.000 0.293 446 Y C 1.761 177.517 175.900 -0.241 0.000 1.124 446 Y CA 0.981 58.970 58.100 -0.185 0.000 1.159 446 Y CB -0.111 38.175 38.460 -0.289 0.000 1.008 446 Y HN -0.045 nan 8.280 nan 0.000 0.527 447 L N 0.233 121.337 121.223 -0.198 0.000 2.141 447 L HA -0.125 4.220 4.340 0.007 0.000 0.209 447 L C 2.341 179.085 176.870 -0.210 0.000 1.094 447 L CA 1.594 56.285 54.840 -0.249 0.000 0.763 447 L CB -0.411 41.616 42.059 -0.053 0.000 0.908 447 L HN 0.197 nan 8.230 nan 0.000 0.437 448 E N 0.555 120.673 120.200 -0.137 0.000 2.152 448 E HA -0.155 4.199 4.350 0.007 0.000 0.192 448 E C 2.251 178.768 176.600 -0.138 0.000 0.983 448 E CA 1.151 57.491 56.400 -0.100 0.000 0.818 448 E CB 0.084 29.753 29.700 -0.052 0.000 0.758 448 E HN 0.225 nan 8.360 nan 0.000 0.467 449 R N -0.402 119.981 120.500 -0.195 0.000 2.115 449 R HA -0.052 4.293 4.340 0.007 0.000 0.230 449 R C 2.271 178.414 176.300 -0.262 0.000 1.111 449 R CA 1.122 57.101 56.100 -0.203 0.000 0.976 449 R CB -0.328 29.852 30.300 -0.200 0.000 0.870 449 R HN 0.224 nan 8.270 nan 0.000 0.445 450 L N 1.197 122.173 121.223 -0.413 0.000 2.156 450 L HA -0.078 4.266 4.340 0.007 0.000 0.208 450 L C 2.132 178.884 176.870 -0.197 0.000 1.095 450 L CA 1.662 56.273 54.840 -0.382 0.000 0.770 450 L CB -0.236 41.473 42.059 -0.584 0.000 0.914 450 L HN 0.116 nan 8.230 nan 0.000 0.439 451 E N -0.950 119.154 120.200 -0.159 0.000 2.015 451 E HA -0.217 4.137 4.350 0.007 0.000 0.191 451 E C 2.202 178.771 176.600 -0.051 0.000 0.991 451 E CA 1.645 58.000 56.400 -0.075 0.000 0.802 451 E CB -0.301 29.367 29.700 -0.054 0.000 0.759 451 E HN 0.300 nan 8.360 nan 0.000 0.447 452 V N 1.409 121.287 119.914 -0.060 0.000 2.343 452 V HA -0.265 3.859 4.120 0.007 0.000 0.247 452 V C 2.620 178.689 176.094 -0.041 0.000 1.051 452 V CA 2.491 64.765 62.300 -0.042 0.000 1.036 452 V CB -0.507 31.290 31.823 -0.043 0.000 0.654 452 V HN 0.329 nan 8.190 nan 0.000 0.451 453 R N -0.487 119.976 120.500 -0.062 0.000 2.091 453 R HA -0.162 4.182 4.340 0.007 0.000 0.238 453 R C 2.168 178.451 176.300 -0.028 0.000 1.136 453 R CA 2.061 58.129 56.100 -0.052 0.000 0.959 453 R CB -0.228 30.025 30.300 -0.079 0.000 0.856 453 R HN 0.528 nan 8.270 nan 0.000 0.437 454 E N -0.038 120.151 120.200 -0.018 0.000 2.299 454 E HA -0.099 4.255 4.350 0.007 0.000 0.193 454 E C 1.848 178.466 176.600 0.030 0.000 0.998 454 E CA 0.338 56.756 56.400 0.030 0.000 0.851 454 E CB -0.077 29.669 29.700 0.077 0.000 0.795 454 E HN 0.352 nan 8.360 nan 0.000 0.492 455 R N 1.119 121.626 120.500 0.012 0.000 2.092 455 R HA -0.102 4.242 4.340 0.007 0.000 0.231 455 R C 1.796 178.092 176.300 -0.007 0.000 1.119 455 R CA 1.210 57.315 56.100 0.009 0.000 0.970 455 R CB 0.184 30.487 30.300 0.006 0.000 0.864 455 R HN 0.142 nan 8.270 nan 0.000 0.440 456 E N -0.307 119.885 120.200 -0.013 0.000 2.051 456 E HA -0.156 4.198 4.350 0.007 0.000 0.189 456 E C 2.096 178.682 176.600 -0.023 0.000 0.979 456 E CA 0.581 56.970 56.400 -0.018 0.000 0.803 456 E CB -0.051 29.637 29.700 -0.019 0.000 0.761 456 E HN 0.225 nan 8.360 nan 0.000 0.451 457 R N 0.426 120.913 120.500 -0.022 0.000 2.105 457 R HA -0.121 4.223 4.340 0.007 0.000 0.239 457 R C 1.824 178.097 176.300 -0.045 0.000 1.135 457 R CA 1.763 57.846 56.100 -0.028 0.000 0.967 457 R CB -0.088 30.201 30.300 -0.018 0.000 0.861 457 R HN 0.022 nan 8.270 nan 0.000 0.442 458 T N -1.296 113.227 114.554 -0.051 0.000 3.044 458 T HA 0.150 4.504 4.350 0.007 0.000 0.255 458 T C 0.926 175.579 174.700 -0.080 0.000 1.073 458 T CA 0.856 62.903 62.100 -0.089 0.000 1.125 458 T CB 0.348 69.154 68.868 -0.104 0.000 0.908 458 T HN 0.621 nan 8.240 nan 0.000 0.480 459 G N 1.573 110.342 108.800 -0.052 0.000 2.155 459 G HA2 -0.227 3.737 3.960 0.007 0.000 0.257 459 G HA3 -0.227 3.737 3.960 0.007 0.000 0.257 459 G C 0.056 174.930 174.900 -0.043 0.000 0.983 459 G CA -0.028 45.045 45.100 -0.045 0.000 0.676 459 G HN 0.530 nan 8.290 nan 0.000 0.528 460 L N 1.645 122.843 121.223 -0.042 0.000 2.272 460 L HA 0.322 4.667 4.340 0.007 0.000 0.284 460 L C 1.354 178.221 176.870 -0.005 0.000 1.045 460 L CA -0.351 54.469 54.840 -0.033 0.000 0.842 460 L CB 1.106 43.136 42.059 -0.048 0.000 1.224 460 L HN 0.277 nan 8.230 nan 0.000 0.430 461 D N -0.096 120.303 120.400 -0.002 0.000 2.310 461 D HA -0.179 4.465 4.640 0.007 0.000 0.212 461 D C 1.549 177.861 176.300 0.021 0.000 0.965 461 D CA 1.311 55.315 54.000 0.008 0.000 0.879 461 D CB -0.075 40.728 40.800 0.005 0.000 0.921 461 D HN 0.554 nan 8.370 nan 0.000 0.510 462 T N -1.841 112.729 114.554 0.028 0.000 3.085 462 T HA 0.033 4.387 4.350 0.007 0.000 0.263 462 T C 1.136 175.874 174.700 0.062 0.000 1.127 462 T CA -0.497 61.629 62.100 0.043 0.000 1.103 462 T CB -0.558 68.338 68.868 0.046 0.000 0.921 462 T HN 0.185 nan 8.240 nan 0.000 0.510 463 L N 2.684 123.946 121.223 0.065 0.000 2.584 463 L HA 0.194 4.539 4.340 0.007 0.000 0.272 463 L C -0.064 176.857 176.870 0.086 0.000 1.195 463 L CA 0.182 55.078 54.840 0.093 0.000 0.920 463 L CB 0.153 42.266 42.059 0.090 0.000 1.173 463 L HN 0.266 nan 8.230 nan 0.000 0.489 464 K N 4.158 124.628 120.400 0.116 0.000 2.444 464 K HA 0.629 4.954 4.320 0.007 0.000 0.252 464 K C -1.520 175.151 176.600 0.118 0.000 0.993 464 K CA -0.933 55.414 56.287 0.101 0.000 0.847 464 K CB 2.121 34.684 32.500 0.105 0.000 1.340 464 K HN 0.265 nan 8.250 nan 0.000 0.446 465 V N 0.739 120.682 119.914 0.050 0.000 2.444 465 V HA 0.609 4.734 4.120 0.007 0.000 0.294 465 V C -0.013 176.009 176.094 -0.119 0.000 1.022 465 V CA -0.383 61.904 62.300 -0.021 0.000 0.850 465 V CB 1.425 33.225 31.823 -0.037 0.000 0.992 465 V HN 0.991 nan 8.190 nan 0.000 0.426 466 G N 2.966 111.454 108.800 -0.521 0.000 2.733 466 G HA2 0.744 4.708 3.960 0.007 0.000 0.288 466 G HA3 0.744 4.708 3.960 0.007 0.000 0.288 466 G C -1.972 172.415 174.900 -0.855 0.000 1.373 466 G CA -0.605 44.117 45.100 -0.630 0.000 0.895 466 G HN 0.426 nan 8.290 nan 0.000 0.479 467 F N 0.760 120.389 119.950 -0.535 0.000 2.538 467 F HA 0.703 5.234 4.527 0.007 0.000 0.325 467 F C -0.379 175.360 175.800 -0.101 0.000 1.066 467 F CA -1.205 56.496 58.000 -0.498 0.000 0.946 467 F CB 2.261 40.874 39.000 -0.645 0.000 1.199 467 F HN 0.486 nan 8.300 nan 0.000 0.473 468 N N 3.576 121.643 118.700 -1.054 0.000 2.336 468 N HA 0.384 5.128 4.740 0.007 0.000 0.290 468 N C -0.139 174.730 175.510 -1.069 0.000 1.058 468 N CA 0.017 52.673 53.050 -0.657 0.000 0.865 468 N CB 2.255 40.678 38.487 -0.107 0.000 1.581 468 N HN 0.819 nan 8.380 nan 0.000 0.480 469 A N 2.743 125.203 122.820 -0.599 0.000 1.940 469 A HA -0.087 4.237 4.320 0.007 0.000 0.219 469 A C 1.725 179.144 177.584 -0.274 0.000 1.176 469 A CA 1.796 53.631 52.037 -0.335 0.000 0.631 469 A CB -0.382 18.569 19.000 -0.083 0.000 0.814 469 A HN 0.464 nan 8.150 nan 0.000 0.446 470 V N -1.172 118.576 119.914 -0.277 0.000 2.446 470 V HA -0.107 4.017 4.120 0.007 0.000 0.244 470 V C 2.107 177.936 176.094 -0.441 0.000 1.039 470 V CA 1.720 63.815 62.300 -0.343 0.000 1.045 470 V CB -0.799 30.778 31.823 -0.410 0.000 0.681 470 V HN 0.686 nan 8.190 nan 0.000 0.459 471 H N -0.632 118.345 119.070 -0.155 0.000 2.750 471 H HA 0.418 4.978 4.556 0.007 0.000 0.263 471 H C 1.287 176.574 175.328 -0.068 0.000 0.964 471 H CA 0.934 56.927 56.048 -0.092 0.000 1.205 471 H CB 0.960 30.673 29.762 -0.082 0.000 1.454 471 H HN 0.495 nan 8.280 nan 0.000 0.503 472 G N 0.649 109.376 108.800 -0.122 0.000 2.627 472 G HA2 -0.252 3.713 3.960 0.007 0.000 0.214 472 G HA3 -0.252 3.713 3.960 0.007 0.000 0.214 472 G C -0.924 173.957 174.900 -0.032 0.000 1.331 472 G CA -0.643 44.410 45.100 -0.077 0.000 0.891 472 G HN 0.235 nan 8.290 nan 0.000 0.539 473 Y N 0.484 120.942 120.300 0.264 0.000 2.480 473 Y HA 0.500 5.054 4.550 0.007 0.000 0.338 473 Y C 1.015 177.003 175.900 0.147 0.000 1.220 473 Y CA 1.520 59.735 58.100 0.190 0.000 1.430 473 Y CB 0.594 39.209 38.460 0.257 0.000 1.311 473 Y HN 0.837 nan 8.280 nan 0.000 0.575 474 Y N -1.198 119.252 120.300 0.251 0.000 2.638 474 Y HA 0.712 5.266 4.550 0.007 0.000 0.335 474 Y C -1.719 174.242 175.900 0.102 0.000 1.155 474 Y CA -2.266 55.909 58.100 0.125 0.000 1.046 474 Y CB 0.748 39.236 38.460 0.048 0.000 1.303 474 Y HN 0.361 nan 8.280 nan 0.000 0.460 475 I N 2.807 123.567 120.570 0.318 0.000 2.354 475 I HA 0.300 4.474 4.170 0.007 0.000 0.286 475 I C -0.521 175.824 176.117 0.381 0.000 1.007 475 I CA -0.586 60.855 61.300 0.236 0.000 1.167 475 I CB 1.632 39.609 38.000 -0.040 0.000 1.320 475 I HN 0.640 nan 8.210 nan 0.000 0.458 476 Q N 6.987 127.024 119.800 0.395 0.000 2.257 476 Q HA 0.648 4.992 4.340 0.007 0.000 0.255 476 Q C -1.243 174.898 176.000 0.235 0.000 0.920 476 Q CA -0.508 55.457 55.803 0.269 0.000 0.927 476 Q CB 1.545 30.413 28.738 0.217 0.000 1.229 476 Q HN 0.593 nan 8.270 nan 0.000 0.433 477 I N 1.745 122.460 120.570 0.242 0.000 2.740 477 I HA 0.300 4.474 4.170 0.007 0.000 0.303 477 I C 0.115 176.310 176.117 0.131 0.000 1.044 477 I CA -0.942 60.468 61.300 0.184 0.000 1.064 477 I CB 2.162 40.285 38.000 0.206 0.000 1.249 477 I HN 0.676 nan 8.210 nan 0.000 0.433 478 S N 3.866 119.620 115.700 0.090 0.000 2.584 478 S HA 0.176 4.650 4.470 0.007 0.000 0.270 478 S C 1.146 175.794 174.600 0.080 0.000 1.346 478 S CA -0.249 57.991 58.200 0.067 0.000 1.018 478 S CB 1.132 64.363 63.200 0.052 0.000 0.899 478 S HN 0.788 nan 8.310 nan 0.000 0.542 479 R N 1.802 122.339 120.500 0.062 0.000 2.083 479 R HA -0.069 4.276 4.340 0.007 0.000 0.237 479 R C 2.280 178.643 176.300 0.106 0.000 1.137 479 R CA 1.892 58.034 56.100 0.070 0.000 0.951 479 R CB -1.332 28.990 30.300 0.037 0.000 0.851 479 R HN 0.874 nan 8.270 nan 0.000 0.434 480 G N -0.533 108.322 108.800 0.092 0.000 2.498 480 G HA2 -0.220 3.745 3.960 0.007 0.000 0.219 480 G HA3 -0.220 3.745 3.960 0.007 0.000 0.219 480 G C 1.069 176.076 174.900 0.178 0.000 1.119 480 G CA 0.415 45.588 45.100 0.122 0.000 0.766 480 G HN 0.444 nan 8.290 nan 0.000 0.552 481 Q N 0.121 119.983 119.800 0.104 0.000 2.247 481 Q HA 0.057 4.401 4.340 0.007 0.000 0.211 481 Q C 2.499 178.480 176.000 -0.032 0.000 0.861 481 Q CA 0.494 56.301 55.803 0.006 0.000 0.949 481 Q CB 0.554 29.288 28.738 -0.006 0.000 1.115 481 Q HN 0.583 nan 8.270 nan 0.000 0.507 482 S N 0.694 116.452 115.700 0.097 0.000 2.453 482 S HA -0.153 4.321 4.470 0.007 0.000 0.231 482 S C 1.774 176.434 174.600 0.100 0.000 1.005 482 S CA 0.952 59.231 58.200 0.133 0.000 0.949 482 S CB -0.514 62.816 63.200 0.217 0.000 0.774 482 S HN 0.548 nan 8.310 nan 0.000 0.510 483 H N 1.193 120.285 119.070 0.036 0.000 2.563 483 H HA 0.226 4.787 4.556 0.007 0.000 0.272 483 H C 1.332 176.647 175.328 -0.021 0.000 1.005 483 H CA 0.546 56.602 56.048 0.015 0.000 1.171 483 H CB -0.393 29.376 29.762 0.012 0.000 1.351 483 H HN 0.444 nan 8.280 nan 0.000 0.602 484 L N 0.583 121.544 121.223 -0.437 0.000 2.640 484 L HA 0.383 4.727 4.340 0.007 0.000 0.230 484 L C 1.265 177.967 176.870 -0.280 0.000 1.123 484 L CA -0.080 54.538 54.840 -0.369 0.000 0.900 484 L CB 0.233 42.051 42.059 -0.402 0.000 1.146 484 L HN 0.175 nan 8.230 nan 0.000 0.484 485 A N 0.728 123.378 122.820 -0.284 0.000 2.386 485 A HA 0.462 4.787 4.320 0.007 0.000 0.248 485 A C -2.111 175.180 177.584 -0.488 0.000 1.082 485 A CA -0.959 50.802 52.037 -0.460 0.000 0.789 485 A CB -0.402 18.265 19.000 -0.554 0.000 1.025 485 A HN -0.048 nan 8.150 nan 0.000 0.490 486 P HA 0.072 nan 4.420 nan 0.000 0.268 486 P C 0.867 177.995 177.300 -0.287 0.000 1.208 486 P CA 0.007 62.820 63.100 -0.477 0.000 0.777 486 P CB 0.276 31.627 31.700 -0.583 0.000 0.875 487 I N -1.407 119.085 120.570 -0.130 0.000 3.059 487 I HA -0.048 4.126 4.170 0.007 0.000 0.270 487 I C 1.417 177.551 176.117 0.028 0.000 1.238 487 I CA 0.876 62.157 61.300 -0.033 0.000 1.478 487 I CB -0.482 37.508 38.000 -0.016 0.000 1.097 487 I HN 0.105 nan 8.210 nan 0.000 0.455 488 N N 1.214 119.932 118.700 0.029 0.000 2.205 488 N HA -0.169 4.575 4.740 0.007 0.000 0.186 488 N C 0.065 175.707 175.510 0.220 0.000 1.015 488 N CA 0.902 54.017 53.050 0.108 0.000 0.862 488 N CB -0.304 38.250 38.487 0.111 0.000 0.986 488 N HN 0.351 nan 8.380 nan 0.000 0.429 489 Y N 1.595 121.867 120.300 -0.047 0.000 2.697 489 Y HA 0.067 4.621 4.550 0.007 0.000 0.349 489 Y C 0.696 176.688 175.900 0.154 0.000 1.120 489 Y CA -0.180 57.900 58.100 -0.032 0.000 1.468 489 Y CB -0.722 37.504 38.460 -0.390 0.000 1.182 489 Y HN -0.065 nan 8.280 nan 0.000 0.525 490 M N 4.381 124.148 119.600 0.278 0.000 2.200 490 M HA 0.225 4.709 4.480 0.007 0.000 0.355 490 M C 0.628 177.102 176.300 0.291 0.000 1.283 490 M CA 0.132 55.575 55.300 0.238 0.000 1.124 490 M CB 0.638 33.322 32.600 0.140 0.000 1.625 490 M HN 0.414 nan 8.290 nan 0.000 0.463 491 R N 2.807 123.435 120.500 0.214 0.000 2.316 491 R HA 0.163 4.507 4.340 0.007 0.000 0.314 491 R C 0.612 176.872 176.300 -0.066 0.000 1.069 491 R CA 0.191 56.287 56.100 -0.007 0.000 0.959 491 R CB 0.623 30.894 30.300 -0.048 0.000 0.987 491 R HN 0.789 nan 8.270 nan 0.000 0.446 492 R N 1.829 122.242 120.500 -0.145 0.000 2.140 492 R HA 0.099 4.444 4.340 0.007 0.000 0.200 492 R C -0.002 176.181 176.300 -0.195 0.000 1.069 492 R CA 0.575 56.621 56.100 -0.091 0.000 1.088 492 R CB 0.690 30.980 30.300 -0.017 0.000 1.012 492 R HN 0.602 nan 8.270 nan 0.000 0.500 493 Q N 0.538 120.144 119.800 -0.323 0.000 2.281 493 Q HA 0.234 4.578 4.340 0.007 0.000 0.263 493 Q C -1.776 173.990 176.000 -0.391 0.000 0.989 493 Q CA -0.271 55.263 55.803 -0.447 0.000 0.852 493 Q CB 2.532 30.857 28.738 -0.687 0.000 1.337 493 Q HN -0.022 nan 8.270 nan 0.000 0.418 494 T N 3.880 118.248 114.554 -0.309 0.000 2.859 494 T HA 0.671 5.025 4.350 0.007 0.000 0.281 494 T C -0.336 174.247 174.700 -0.196 0.000 1.005 494 T CA -0.343 61.617 62.100 -0.233 0.000 1.025 494 T CB 0.747 69.515 68.868 -0.168 0.000 0.977 494 T HN 0.455 nan 8.240 nan 0.000 0.458 495 L N 1.186 122.314 121.223 -0.158 0.000 2.250 495 L HA 0.538 4.882 4.340 0.007 0.000 0.252 495 L C 1.624 178.446 176.870 -0.079 0.000 1.054 495 L CA -1.080 53.687 54.840 -0.121 0.000 0.856 495 L CB 1.485 43.463 42.059 -0.135 0.000 1.443 495 L HN 0.523 nan 8.230 nan 0.000 0.427 496 K N 0.172 120.537 120.400 -0.059 0.000 2.002 496 K HA -0.048 4.276 4.320 0.007 0.000 0.209 496 K C 0.630 177.212 176.600 -0.030 0.000 1.048 496 K CA 1.603 57.867 56.287 -0.039 0.000 0.930 496 K CB 0.137 32.619 32.500 -0.030 0.000 0.714 496 K HN 0.492 nan 8.250 nan 0.000 0.438 497 N N -0.477 118.205 118.700 -0.029 0.000 2.338 497 N HA 0.202 4.946 4.740 0.007 0.000 0.251 497 N C -1.307 174.197 175.510 -0.010 0.000 1.199 497 N CA 0.128 53.170 53.050 -0.013 0.000 0.879 497 N CB 1.738 40.221 38.487 -0.007 0.000 1.159 497 N HN 0.121 nan 8.380 nan 0.000 0.514 498 A N 0.208 123.011 122.820 -0.029 0.000 2.582 498 A HA 0.419 4.743 4.320 0.007 0.000 0.297 498 A C -1.233 176.310 177.584 -0.068 0.000 1.059 498 A CA -0.682 51.340 52.037 -0.026 0.000 0.705 498 A CB 1.706 20.684 19.000 -0.037 0.000 1.279 498 A HN -0.063 nan 8.150 nan 0.000 0.404 499 E N 0.924 121.104 120.200 -0.033 0.000 2.202 499 E HA 0.593 4.947 4.350 0.007 0.000 0.272 499 E C -0.647 175.842 176.600 -0.185 0.000 0.951 499 E CA -0.523 55.783 56.400 -0.156 0.000 0.813 499 E CB 2.085 31.714 29.700 -0.118 0.000 1.151 499 E HN 0.575 nan 8.360 nan 0.000 0.398 500 R N 1.504 121.754 120.500 -0.418 0.000 2.740 500 R HA 0.557 4.901 4.340 0.007 0.000 0.282 500 R C -0.922 175.121 176.300 -0.428 0.000 0.969 500 R CA -0.562 55.368 56.100 -0.284 0.000 0.918 500 R CB 1.402 31.458 30.300 -0.408 0.000 1.175 500 R HN 0.467 nan 8.270 nan 0.000 0.464 501 Y N 0.768 121.087 120.300 0.031 0.000 2.638 501 Y HA 0.594 5.148 4.550 0.007 0.000 0.339 501 Y C -0.674 175.213 175.900 -0.022 0.000 1.084 501 Y CA -1.220 56.882 58.100 0.004 0.000 1.068 501 Y CB 1.644 40.102 38.460 -0.003 0.000 1.294 501 Y HN 0.360 nan 8.280 nan 0.000 0.480 502 I N 2.356 123.010 120.570 0.141 0.000 2.785 502 I HA 0.650 4.824 4.170 0.007 0.000 0.302 502 I C -1.262 174.861 176.117 0.010 0.000 1.069 502 I CA -1.213 60.132 61.300 0.074 0.000 1.045 502 I CB 1.749 39.816 38.000 0.111 0.000 1.236 502 I HN 0.524 nan 8.210 nan 0.000 0.429 503 I N 3.634 124.195 120.570 -0.016 0.000 2.828 503 I HA 0.628 4.803 4.170 0.007 0.000 0.302 503 I C -2.279 173.863 176.117 0.042 0.000 1.101 503 I CA -2.078 59.222 61.300 -0.000 0.000 1.031 503 I CB 1.780 39.747 38.000 -0.055 0.000 1.231 503 I HN 0.300 nan 8.210 nan 0.000 0.427 504 P HA -0.230 nan 4.420 nan 0.000 0.218 504 P C 1.209 178.546 177.300 0.060 0.000 1.150 504 P CA 1.532 64.666 63.100 0.056 0.000 0.841 504 P CB 0.198 31.929 31.700 0.052 0.000 0.784 505 E N -0.993 119.246 120.200 0.065 0.000 2.046 505 E HA -0.155 4.200 4.350 0.007 0.000 0.190 505 E C 1.795 178.464 176.600 0.114 0.000 0.982 505 E CA 0.695 57.148 56.400 0.088 0.000 0.800 505 E CB -0.433 29.325 29.700 0.097 0.000 0.756 505 E HN 0.043 nan 8.360 nan 0.000 0.449 506 L N 1.473 122.759 121.223 0.106 0.000 2.156 506 L HA -0.074 4.270 4.340 0.007 0.000 0.208 506 L C 2.126 179.076 176.870 0.133 0.000 1.095 506 L CA 1.555 56.470 54.840 0.126 0.000 0.770 506 L CB -0.294 41.820 42.059 0.093 0.000 0.914 506 L HN -0.055 nan 8.230 nan 0.000 0.439 507 K N -0.169 120.298 120.400 0.111 0.000 2.097 507 K HA -0.214 4.110 4.320 0.007 0.000 0.205 507 K C 2.012 178.655 176.600 0.072 0.000 1.050 507 K CA 1.454 57.805 56.287 0.107 0.000 0.938 507 K CB 0.049 32.603 32.500 0.089 0.000 0.718 507 K HN 0.540 nan 8.250 nan 0.000 0.442 508 E N -0.548 119.687 120.200 0.058 0.000 2.106 508 E HA -0.212 4.142 4.350 0.007 0.000 0.192 508 E C 1.885 178.478 176.600 -0.013 0.000 0.984 508 E CA 0.902 57.317 56.400 0.024 0.000 0.806 508 E CB -0.168 29.548 29.700 0.027 0.000 0.750 508 E HN 0.319 nan 8.360 nan 0.000 0.458 509 Y N 1.472 121.677 120.300 -0.159 0.000 2.314 509 Y HA -0.127 4.427 4.550 0.007 0.000 0.293 509 Y C 2.124 177.860 175.900 -0.273 0.000 1.129 509 Y CA 1.948 59.868 58.100 -0.300 0.000 1.201 509 Y CB -0.047 38.120 38.460 -0.489 0.000 0.999 509 Y HN 0.107 nan 8.280 nan 0.000 0.541 510 E N -0.080 120.040 120.200 -0.135 0.000 2.072 510 E HA -0.219 4.136 4.350 0.007 0.000 0.191 510 E C 1.435 178.007 176.600 -0.048 0.000 0.985 510 E CA 1.667 58.044 56.400 -0.038 0.000 0.801 510 E CB -0.139 29.720 29.700 0.264 0.000 0.750 510 E HN 0.474 nan 8.360 nan 0.000 0.452 511 D N 0.577 120.952 120.400 -0.041 0.000 2.144 511 D HA -0.171 4.473 4.640 0.007 0.000 0.200 511 D C 1.926 178.172 176.300 -0.089 0.000 0.978 511 D CA 1.477 55.456 54.000 -0.036 0.000 0.833 511 D CB -0.169 40.624 40.800 -0.012 0.000 0.961 511 D HN 0.410 nan 8.370 nan 0.000 0.470 512 K N 0.699 121.008 120.400 -0.153 0.000 2.137 512 K HA 0.007 4.332 4.320 0.007 0.000 0.202 512 K C 2.067 178.536 176.600 -0.217 0.000 1.052 512 K CA 0.536 56.731 56.287 -0.154 0.000 0.961 512 K CB -0.455 31.959 32.500 -0.144 0.000 0.741 512 K HN -0.032 nan 8.250 nan 0.000 0.452 513 V N 1.831 121.506 119.914 -0.398 0.000 2.407 513 V HA -0.151 3.973 4.120 0.007 0.000 0.248 513 V C 2.046 178.011 176.094 -0.215 0.000 1.055 513 V CA 1.423 63.477 62.300 -0.410 0.000 1.049 513 V CB -0.198 31.191 31.823 -0.724 0.000 0.662 513 V HN 0.368 nan 8.190 nan 0.000 0.455 514 L N -0.096 121.035 121.223 -0.154 0.000 2.209 514 L HA -0.035 4.310 4.340 0.007 0.000 0.207 514 L C 2.652 179.456 176.870 -0.111 0.000 1.094 514 L CA 1.518 56.301 54.840 -0.095 0.000 0.790 514 L CB -0.897 41.150 42.059 -0.019 0.000 0.932 514 L HN 0.511 nan 8.230 nan 0.000 0.447 515 T N -2.854 111.631 114.554 -0.116 0.000 2.821 515 T HA -0.161 4.194 4.350 0.007 0.000 0.267 515 T C 2.047 176.605 174.700 -0.237 0.000 1.046 515 T CA 1.321 63.336 62.100 -0.142 0.000 1.139 515 T CB -0.474 68.334 68.868 -0.100 0.000 0.871 515 T HN 0.393 nan 8.240 nan 0.000 0.454 516 S N 1.186 116.770 115.700 -0.194 0.000 2.436 516 S HA 0.063 4.538 4.470 0.007 0.000 0.228 516 S C 2.070 176.528 174.600 -0.238 0.000 1.014 516 S CA 0.551 58.608 58.200 -0.238 0.000 0.950 516 S CB -0.386 62.871 63.200 0.096 0.000 0.784 516 S HN 0.500 nan 8.310 nan 0.000 0.504 517 K N 0.969 121.265 120.400 -0.172 0.000 2.155 517 K HA 0.050 4.374 4.320 0.007 0.000 0.203 517 K C 2.188 178.684 176.600 -0.174 0.000 1.052 517 K CA 0.995 57.197 56.287 -0.143 0.000 0.948 517 K CB -0.700 31.731 32.500 -0.116 0.000 0.728 517 K HN 0.513 nan 8.250 nan 0.000 0.448 518 G N 1.172 109.853 108.800 -0.198 0.000 2.421 518 G HA2 -0.175 3.790 3.960 0.007 0.000 0.217 518 G HA3 -0.175 3.790 3.960 0.007 0.000 0.217 518 G C 1.431 176.164 174.900 -0.278 0.000 1.143 518 G CA 0.309 45.292 45.100 -0.195 0.000 0.784 518 G HN 0.124 nan 8.290 nan 0.000 0.541 519 K N 0.793 120.918 120.400 -0.457 0.000 2.155 519 K HA 0.137 4.461 4.320 0.007 0.000 0.203 519 K C 2.770 179.006 176.600 -0.606 0.000 1.052 519 K CA 0.994 56.858 56.287 -0.706 0.000 0.948 519 K CB -0.310 31.312 32.500 -1.463 0.000 0.728 519 K HN 0.265 nan 8.250 nan 0.000 0.448 520 A N 0.808 123.367 122.820 -0.436 0.000 2.016 520 A HA -0.068 4.256 4.320 0.007 0.000 0.217 520 A C 2.111 179.631 177.584 -0.107 0.000 1.162 520 A CA 0.770 52.699 52.037 -0.179 0.000 0.662 520 A CB -0.250 18.721 19.000 -0.049 0.000 0.812 520 A HN 0.165 nan 8.150 nan 0.000 0.450 521 L N -0.727 120.418 121.223 -0.130 0.000 2.131 521 L HA 0.131 4.475 4.340 0.007 0.000 0.206 521 L C 2.672 179.493 176.870 -0.082 0.000 1.087 521 L CA 1.663 56.449 54.840 -0.090 0.000 0.767 521 L CB -0.477 41.529 42.059 -0.090 0.000 0.917 521 L HN 0.307 nan 8.230 nan 0.000 0.441 522 A N -0.839 121.914 122.820 -0.111 0.000 1.930 522 A HA -0.176 4.149 4.320 0.007 0.000 0.217 522 A C 2.187 179.738 177.584 -0.055 0.000 1.175 522 A CA 1.831 53.816 52.037 -0.086 0.000 0.627 522 A CB -0.823 18.109 19.000 -0.114 0.000 0.815 522 A HN 0.407 nan 8.150 nan 0.000 0.443 523 L N -0.089 121.098 121.223 -0.060 0.000 2.072 523 L HA -0.074 4.270 4.340 0.007 0.000 0.205 523 L C 2.276 179.164 176.870 0.030 0.000 1.079 523 L CA 2.478 57.318 54.840 0.000 0.000 0.752 523 L CB -0.558 41.525 42.059 0.039 0.000 0.906 523 L HN 0.590 nan 8.230 nan 0.000 0.436 524 E N -0.465 119.748 120.200 0.022 0.000 2.085 524 E HA -0.289 4.066 4.350 0.007 0.000 0.194 524 E C 2.055 178.684 176.600 0.047 0.000 0.994 524 E CA 1.645 58.070 56.400 0.042 0.000 0.801 524 E CB 0.003 29.708 29.700 0.008 0.000 0.743 524 E HN 0.471 nan 8.360 nan 0.000 0.453 525 K N -0.072 120.337 120.400 0.014 0.000 2.217 525 K HA -0.103 4.221 4.320 0.007 0.000 0.202 525 K C 2.269 178.898 176.600 0.049 0.000 1.051 525 K CA 0.909 57.211 56.287 0.025 0.000 0.952 525 K CB -0.010 32.487 32.500 -0.005 0.000 0.736 525 K HN 0.166 nan 8.250 nan 0.000 0.453 526 Q N 0.767 120.587 119.800 0.034 0.000 2.123 526 Q HA -0.074 4.271 4.340 0.007 0.000 0.199 526 Q C 1.924 177.948 176.000 0.040 0.000 0.966 526 Q CA 0.993 56.814 55.803 0.030 0.000 0.845 526 Q CB 0.156 28.907 28.738 0.022 0.000 0.907 526 Q HN 0.311 nan 8.270 nan 0.000 0.439 527 L N -0.671 120.596 121.223 0.073 0.000 2.217 527 L HA -0.139 4.205 4.340 0.007 0.000 0.211 527 L C 2.116 179.043 176.870 0.094 0.000 1.107 527 L CA 0.748 55.659 54.840 0.118 0.000 0.783 527 L CB -0.294 41.881 42.059 0.193 0.000 0.919 527 L HN 0.285 nan 8.230 nan 0.000 0.442 528 Y N 0.611 120.860 120.300 -0.085 0.000 2.286 528 Y HA -0.117 4.437 4.550 0.007 0.000 0.293 528 Y C 2.563 178.183 175.900 -0.467 0.000 1.124 528 Y CA 1.124 59.085 58.100 -0.231 0.000 1.178 528 Y CB 0.223 38.560 38.460 -0.206 0.000 1.010 528 Y HN 0.074 nan 8.280 nan 0.000 0.536 529 E N 0.455 120.512 120.200 -0.239 0.000 2.153 529 E HA -0.226 4.128 4.350 0.007 0.000 0.194 529 E C 1.891 178.371 176.600 -0.199 0.000 0.988 529 E CA 1.282 57.513 56.400 -0.282 0.000 0.811 529 E CB -0.130 29.553 29.700 -0.029 0.000 0.746 529 E HN 0.660 nan 8.360 nan 0.000 0.466 530 E N 0.367 120.499 120.200 -0.114 0.000 2.204 530 E HA -0.086 4.269 4.350 0.007 0.000 0.194 530 E C 2.185 178.759 176.600 -0.044 0.000 0.989 530 E CA 0.233 56.614 56.400 -0.031 0.000 0.824 530 E CB 0.028 29.744 29.700 0.027 0.000 0.756 530 E HN 0.174 nan 8.360 nan 0.000 0.477 531 L N 0.006 121.124 121.223 -0.175 0.000 2.083 531 L HA -0.191 4.153 4.340 0.007 0.000 0.209 531 L C 2.083 178.947 176.870 -0.009 0.000 1.083 531 L CA 0.762 55.510 54.840 -0.154 0.000 0.752 531 L CB -0.362 41.485 42.059 -0.353 0.000 0.899 531 L HN 0.171 nan 8.230 nan 0.000 0.433 532 F N 0.248 120.113 119.950 -0.142 0.000 2.134 532 F HA -0.209 4.323 4.527 0.008 0.000 0.299 532 F C 2.441 178.211 175.800 -0.051 0.000 1.097 532 F CA 0.777 58.716 58.000 -0.101 0.000 1.264 532 F CB -1.079 37.860 39.000 -0.101 0.000 1.001 532 F HN 0.150 nan 8.300 nan 0.000 0.479 533 D N 0.300 120.789 120.400 0.149 0.000 2.149 533 D HA -0.149 4.495 4.640 0.007 0.000 0.198 533 D C 2.354 178.688 176.300 0.056 0.000 0.990 533 D CA 1.187 55.235 54.000 0.081 0.000 0.839 533 D CB -0.296 40.537 40.800 0.055 0.000 0.948 533 D HN 0.278 nan 8.370 nan 0.000 0.460 534 L N -0.270 120.996 121.223 0.072 0.000 2.307 534 L HA 0.070 4.414 4.340 0.007 0.000 0.211 534 L C 2.417 179.352 176.870 0.108 0.000 1.099 534 L CA 0.160 55.047 54.840 0.078 0.000 0.816 534 L CB -0.022 42.098 42.059 0.101 0.000 0.952 534 L HN -0.043 nan 8.230 nan 0.000 0.455 535 L N -0.529 120.767 121.223 0.122 0.000 2.162 535 L HA -0.089 4.256 4.340 0.007 0.000 0.205 535 L C 2.419 179.343 176.870 0.090 0.000 1.086 535 L CA 0.790 55.721 54.840 0.153 0.000 0.778 535 L CB -0.231 41.912 42.059 0.139 0.000 0.928 535 L HN 0.234 nan 8.230 nan 0.000 0.446 536 L N 0.273 121.517 121.223 0.035 0.000 2.079 536 L HA -0.149 4.195 4.340 0.007 0.000 0.210 536 L C -0.122 176.718 176.870 -0.050 0.000 1.081 536 L CA 1.202 56.035 54.840 -0.011 0.000 0.752 536 L CB -1.800 40.248 42.059 -0.018 0.000 0.896 536 L HN 0.245 nan 8.230 nan 0.000 0.433 537 P HA -0.201 nan 4.420 nan 0.000 0.217 537 P C 0.756 177.908 177.300 -0.246 0.000 1.148 537 P CA 1.603 64.567 63.100 -0.227 0.000 0.828 537 P CB -0.273 31.209 31.700 -0.363 0.000 0.783 538 H N -1.307 117.792 119.070 0.049 0.000 2.567 538 H HA 0.151 4.712 4.556 0.007 0.000 0.294 538 H C 1.686 177.046 175.328 0.053 0.000 1.050 538 H CA -0.346 55.743 56.048 0.068 0.000 1.168 538 H CB -0.172 29.636 29.762 0.077 0.000 1.422 538 H HN 0.073 nan 8.280 nan 0.000 0.562 539 L N 1.117 122.400 121.223 0.100 0.000 2.056 539 L HA -0.091 4.253 4.340 0.007 0.000 0.207 539 L C 2.387 179.314 176.870 0.096 0.000 1.078 539 L CA 1.684 56.569 54.840 0.074 0.000 0.749 539 L CB -0.280 41.805 42.059 0.043 0.000 0.901 539 L HN 0.204 nan 8.230 nan 0.000 0.433 540 E N -0.572 119.693 120.200 0.108 0.000 2.031 540 E HA -0.252 4.103 4.350 0.007 0.000 0.193 540 E C 2.092 178.777 176.600 0.140 0.000 0.994 540 E CA 1.293 57.761 56.400 0.113 0.000 0.800 540 E CB -0.214 29.548 29.700 0.104 0.000 0.752 540 E HN 0.582 nan 8.360 nan 0.000 0.447 541 A N 0.697 123.630 122.820 0.188 0.000 1.972 541 A HA -0.136 4.188 4.320 0.007 0.000 0.219 541 A C 2.160 179.947 177.584 0.337 0.000 1.169 541 A CA 0.999 53.194 52.037 0.264 0.000 0.635 541 A CB -0.504 18.700 19.000 0.339 0.000 0.810 541 A HN 0.303 nan 8.150 nan 0.000 0.446 542 L N -1.190 120.147 121.223 0.191 0.000 2.072 542 L HA -0.201 4.143 4.340 0.007 0.000 0.205 542 L C 2.862 179.783 176.870 0.085 0.000 1.079 542 L CA 1.352 56.206 54.840 0.024 0.000 0.752 542 L CB -0.477 41.520 42.059 -0.103 0.000 0.906 542 L HN 0.452 nan 8.230 nan 0.000 0.436 543 Q N -0.549 119.304 119.800 0.089 0.000 2.124 543 Q HA -0.266 4.078 4.340 0.007 0.000 0.202 543 Q C 2.225 178.284 176.000 0.099 0.000 0.977 543 Q CA 1.419 57.271 55.803 0.082 0.000 0.850 543 Q CB -0.064 28.722 28.738 0.079 0.000 0.901 543 Q HN 0.527 nan 8.270 nan 0.000 0.429 544 Q N -0.412 119.463 119.800 0.126 0.000 2.119 544 Q HA -0.128 4.216 4.340 0.007 0.000 0.201 544 Q C 2.167 178.250 176.000 0.138 0.000 0.972 544 Q CA 1.351 57.228 55.803 0.123 0.000 0.847 544 Q CB -0.021 28.790 28.738 0.122 0.000 0.903 544 Q HN 0.191 nan 8.270 nan 0.000 0.433 545 S N -0.380 115.439 115.700 0.199 0.000 2.406 545 S HA -0.068 4.406 4.470 0.007 0.000 0.228 545 S C 1.846 176.537 174.600 0.152 0.000 1.020 545 S CA 0.888 59.225 58.200 0.229 0.000 0.965 545 S CB -0.056 63.414 63.200 0.449 0.000 0.798 545 S HN 0.440 nan 8.310 nan 0.000 0.488 546 A N 0.703 123.590 122.820 0.111 0.000 1.897 546 A HA 0.033 4.357 4.320 0.007 0.000 0.215 546 A C 2.403 180.021 177.584 0.055 0.000 1.181 546 A CA 1.815 53.891 52.037 0.065 0.000 0.620 546 A CB -1.298 17.727 19.000 0.040 0.000 0.821 546 A HN 0.636 nan 8.150 nan 0.000 0.443 547 S N 0.070 115.810 115.700 0.067 0.000 2.368 547 S HA -0.031 4.443 4.470 0.007 0.000 0.225 547 S C 2.171 176.812 174.600 0.069 0.000 1.030 547 S CA 1.614 59.853 58.200 0.066 0.000 0.999 547 S CB -0.503 62.745 63.200 0.080 0.000 0.844 547 S HN 0.835 nan 8.310 nan 0.000 0.459 548 A N 1.144 124.011 122.820 0.078 0.000 1.972 548 A HA 0.129 4.453 4.320 0.007 0.000 0.219 548 A C 2.257 179.873 177.584 0.054 0.000 1.169 548 A CA 1.341 53.421 52.037 0.072 0.000 0.635 548 A CB -0.711 18.333 19.000 0.073 0.000 0.810 548 A HN 0.587 nan 8.150 nan 0.000 0.446 549 L N -1.064 120.190 121.223 0.052 0.000 2.109 549 L HA -0.100 4.244 4.340 0.007 0.000 0.207 549 L C 3.037 179.909 176.870 0.003 0.000 1.086 549 L CA 0.893 55.753 54.840 0.032 0.000 0.760 549 L CB -0.377 41.707 42.059 0.042 0.000 0.910 549 L HN 0.415 nan 8.230 nan 0.000 0.437 550 A N -0.316 122.501 122.820 -0.004 0.000 1.898 550 A HA -0.239 4.085 4.320 0.007 0.000 0.216 550 A C 2.249 179.780 177.584 -0.088 0.000 1.181 550 A CA 1.711 53.720 52.037 -0.047 0.000 0.620 550 A CB -0.435 18.538 19.000 -0.046 0.000 0.819 550 A HN 0.446 nan 8.150 nan 0.000 0.442 551 E N -0.698 119.479 120.200 -0.039 0.000 2.106 551 E HA -0.154 4.200 4.350 0.007 0.000 0.192 551 E C 1.825 178.416 176.600 -0.015 0.000 0.984 551 E CA 0.745 57.127 56.400 -0.028 0.000 0.806 551 E CB -0.101 29.678 29.700 0.132 0.000 0.750 551 E HN 0.343 nan 8.360 nan 0.000 0.458 552 L N 1.805 123.031 121.223 0.005 0.000 2.012 552 L HA -0.192 4.152 4.340 0.007 0.000 0.210 552 L C 2.122 178.979 176.870 -0.022 0.000 1.073 552 L CA 1.986 56.830 54.840 0.006 0.000 0.748 552 L CB -1.153 40.912 42.059 0.009 0.000 0.891 552 L HN 0.258 nan 8.230 nan 0.000 0.431 553 D N -1.047 119.326 120.400 -0.045 0.000 2.117 553 D HA -0.144 4.501 4.640 0.007 0.000 0.197 553 D C 2.218 178.464 176.300 -0.090 0.000 0.987 553 D CA 1.037 55.001 54.000 -0.059 0.000 0.829 553 D CB 0.203 40.964 40.800 -0.064 0.000 0.961 553 D HN 0.129 nan 8.370 nan 0.000 0.460 554 V N 0.379 120.199 119.914 -0.157 0.000 2.343 554 V HA -0.198 3.926 4.120 0.007 0.000 0.247 554 V C 2.680 178.711 176.094 -0.104 0.000 1.051 554 V CA 1.259 63.423 62.300 -0.226 0.000 1.036 554 V CB -0.370 31.117 31.823 -0.560 0.000 0.654 554 V HN 0.266 nan 8.190 nan 0.000 0.451 555 L N -0.908 120.292 121.223 -0.039 0.000 2.095 555 L HA -0.056 4.288 4.340 0.007 0.000 0.204 555 L C 2.420 179.290 176.870 0.000 0.000 1.080 555 L CA 0.698 55.559 54.840 0.035 0.000 0.759 555 L CB -0.432 41.681 42.059 0.090 0.000 0.914 555 L HN 0.150 nan 8.230 nan 0.000 0.439 556 V N 0.596 120.505 119.914 -0.008 0.000 2.392 556 V HA -0.306 3.818 4.120 0.007 0.000 0.249 556 V C 2.240 178.319 176.094 -0.025 0.000 1.059 556 V CA 2.167 64.460 62.300 -0.011 0.000 1.051 556 V CB -0.772 31.048 31.823 -0.004 0.000 0.658 556 V HN 0.564 nan 8.190 nan 0.000 0.455 557 N N 0.450 119.130 118.700 -0.033 0.000 2.058 557 N HA -0.160 4.584 4.740 0.007 0.000 0.191 557 N C 1.682 177.172 175.510 -0.033 0.000 1.037 557 N CA 1.755 54.784 53.050 -0.035 0.000 0.848 557 N CB -0.321 38.138 38.487 -0.047 0.000 1.021 557 N HN 0.432 nan 8.380 nan 0.000 0.422 558 L N -0.301 120.908 121.223 -0.023 0.000 2.201 558 L HA -0.008 4.336 4.340 0.007 0.000 0.212 558 L C 2.437 179.261 176.870 -0.077 0.000 1.105 558 L CA 0.881 55.715 54.840 -0.010 0.000 0.775 558 L CB -0.533 41.552 42.059 0.042 0.000 0.913 558 L HN 0.309 nan 8.230 nan 0.000 0.440 559 A N -0.300 122.461 122.820 -0.099 0.000 1.873 559 A HA -0.222 4.102 4.320 0.007 0.000 0.215 559 A C 2.337 179.872 177.584 -0.083 0.000 1.186 559 A CA 1.562 53.513 52.037 -0.143 0.000 0.616 559 A CB -0.462 18.477 19.000 -0.102 0.000 0.823 559 A HN 0.357 nan 8.150 nan 0.000 0.442 560 E N -0.131 120.040 120.200 -0.049 0.000 2.077 560 E HA -0.223 4.131 4.350 0.007 0.000 0.193 560 E C 2.146 178.737 176.600 -0.015 0.000 0.989 560 E CA 1.050 57.445 56.400 -0.009 0.000 0.800 560 E CB -0.157 29.535 29.700 -0.014 0.000 0.746 560 E HN 0.324 nan 8.360 nan 0.000 0.452 561 R N 0.271 120.723 120.500 -0.081 0.000 2.075 561 R HA 0.012 4.356 4.340 0.007 0.000 0.232 561 R C 2.317 178.395 176.300 -0.370 0.000 1.126 561 R CA 1.165 57.151 56.100 -0.189 0.000 0.963 561 R CB -1.383 28.833 30.300 -0.140 0.000 0.858 561 R HN 0.225 nan 8.270 nan 0.000 0.435 562 A N 0.287 122.970 122.820 -0.227 0.000 1.940 562 A HA -0.229 4.095 4.320 0.007 0.000 0.219 562 A C 2.106 179.659 177.584 -0.052 0.000 1.176 562 A CA 1.513 53.470 52.037 -0.133 0.000 0.631 562 A CB -0.675 18.319 19.000 -0.010 0.000 0.814 562 A HN 0.410 nan 8.150 nan 0.000 0.446 563 Y N 0.876 121.093 120.300 -0.139 0.000 2.114 563 Y HA -0.117 4.437 4.550 0.007 0.000 0.284 563 Y C 2.677 178.503 175.900 -0.123 0.000 1.119 563 Y CA 2.292 60.338 58.100 -0.090 0.000 1.108 563 Y CB -0.825 37.587 38.460 -0.081 0.000 0.995 563 Y HN 0.269 nan 8.280 nan 0.000 0.491 564 T N 1.325 115.771 114.554 -0.180 0.000 2.803 564 T HA -0.137 4.218 4.350 0.007 0.000 0.269 564 T C 1.492 176.017 174.700 -0.292 0.000 1.052 564 T CA 1.874 63.812 62.100 -0.270 0.000 1.136 564 T CB -0.398 68.403 68.868 -0.112 0.000 0.864 564 T HN 0.305 nan 8.240 nan 0.000 0.467 565 L N 0.832 121.834 121.223 -0.367 0.000 2.769 565 L HA 0.363 4.708 4.340 0.007 0.000 0.240 565 L C 0.472 177.191 176.870 -0.250 0.000 1.163 565 L CA -0.337 54.283 54.840 -0.367 0.000 0.962 565 L CB -0.385 41.323 42.059 -0.584 0.000 1.258 565 L HN 0.156 nan 8.230 nan 0.000 0.513 566 N N 0.695 119.279 118.700 -0.193 0.000 2.708 566 N HA -0.242 4.503 4.740 0.007 0.000 0.255 566 N C -1.087 174.561 175.510 0.230 0.000 1.046 566 N CA 0.532 53.576 53.050 -0.009 0.000 0.715 566 N CB -0.995 37.488 38.487 -0.006 0.000 0.895 566 N HN 0.148 nan 8.380 nan 0.000 0.545 567 Y N -0.433 119.897 120.300 0.050 0.000 2.419 567 Y HA 0.652 5.206 4.550 0.007 0.000 0.328 567 Y C 1.359 177.327 175.900 0.114 0.000 1.162 567 Y CA -1.008 57.140 58.100 0.079 0.000 1.174 567 Y CB 1.287 39.828 38.460 0.135 0.000 1.228 567 Y HN 0.145 nan 8.280 nan 0.000 0.473 568 T N 0.502 115.146 114.554 0.151 0.000 2.924 568 T HA 0.346 4.700 4.350 0.007 0.000 0.291 568 T C -0.878 173.566 174.700 -0.426 0.000 1.045 568 T CA -0.479 61.567 62.100 -0.091 0.000 1.015 568 T CB 0.808 69.622 68.868 -0.090 0.000 1.103 568 T HN 0.810 nan 8.240 nan 0.000 0.496 569 C N 6.084 124.909 119.300 -0.793 0.000 2.499 569 C HA 0.623 5.088 4.460 0.007 0.000 0.386 569 C C -2.031 172.666 174.990 -0.488 0.000 1.293 569 C CA -1.613 56.831 59.018 -0.957 0.000 1.884 569 C CB -0.349 26.826 27.740 -0.942 0.000 2.509 569 C HN 0.660 nan 8.230 nan 0.000 0.566 570 P HA 0.320 nan 4.420 nan 0.000 0.277 570 P C -0.462 176.473 177.300 -0.609 0.000 1.240 570 P CA 0.200 63.019 63.100 -0.468 0.000 0.798 570 P CB 0.982 32.383 31.700 -0.499 0.000 0.979 571 T N -1.202 113.021 114.554 -0.552 0.000 2.950 571 T HA 0.716 5.070 4.350 0.007 0.000 0.288 571 T C -0.554 173.768 174.700 -0.630 0.000 1.035 571 T CA -0.573 61.211 62.100 -0.527 0.000 1.028 571 T CB 0.635 69.369 68.868 -0.224 0.000 1.109 571 T HN 0.129 nan 8.240 nan 0.000 0.514 572 F N 1.075 120.982 119.950 -0.072 0.000 2.495 572 F HA 0.647 5.179 4.527 0.009 0.000 0.327 572 F C 0.396 176.188 175.800 -0.014 0.000 1.103 572 F CA -1.421 56.551 58.000 -0.047 0.000 0.949 572 F CB 1.494 40.467 39.000 -0.045 0.000 1.142 572 F HN 0.701 nan 8.300 nan 0.000 0.457 573 I N -1.567 119.107 120.570 0.174 0.000 2.982 573 I HA 0.554 4.728 4.170 0.007 0.000 0.312 573 I C -0.004 176.176 176.117 0.105 0.000 1.041 573 I CA -0.825 60.535 61.300 0.100 0.000 1.053 573 I CB 1.667 39.694 38.000 0.047 0.000 1.248 573 I HN 0.386 nan 8.210 nan 0.000 0.471 574 D N 1.338 121.778 120.400 0.067 0.000 2.224 574 D HA 0.030 4.675 4.640 0.007 0.000 0.205 574 D C 0.050 176.378 176.300 0.046 0.000 0.965 574 D CA 1.508 55.547 54.000 0.064 0.000 0.852 574 D CB 0.076 40.906 40.800 0.049 0.000 0.947 574 D HN 0.452 nan 8.370 nan 0.000 0.494 575 K N -0.336 120.065 120.400 0.001 0.000 2.350 575 K HA 0.430 4.754 4.320 0.007 0.000 0.241 575 K C -2.658 173.862 176.600 -0.133 0.000 0.994 575 K CA -2.115 54.122 56.287 -0.084 0.000 0.839 575 K CB 1.997 34.458 32.500 -0.066 0.000 1.244 575 K HN -0.291 nan 8.250 nan 0.000 0.443 576 P HA 0.059 nan 4.420 nan 0.000 0.264 576 P C -0.710 176.529 177.300 -0.101 0.000 1.173 576 P CA 0.421 63.383 63.100 -0.229 0.000 0.761 576 P CB 0.441 31.956 31.700 -0.307 0.000 0.794 577 G N 1.513 110.283 108.800 -0.051 0.000 2.368 577 G HA2 0.392 4.357 3.960 0.007 0.000 0.301 577 G HA3 0.392 4.357 3.960 0.007 0.000 0.301 577 G C -1.900 172.999 174.900 -0.002 0.000 1.640 577 G CA -0.689 44.397 45.100 -0.024 0.000 0.941 577 G HN 0.390 nan 8.290 nan 0.000 0.695 578 I N 0.968 121.534 120.570 -0.006 0.000 2.512 578 I HA 0.491 4.666 4.170 0.007 0.000 0.287 578 I C -0.216 175.892 176.117 -0.015 0.000 1.069 578 I CA -0.802 60.493 61.300 -0.008 0.000 1.056 578 I CB 2.415 40.408 38.000 -0.011 0.000 1.229 578 I HN 0.313 nan 8.210 nan 0.000 0.429 579 R N 6.742 127.227 120.500 -0.025 0.000 2.371 579 R HA 0.649 4.993 4.340 0.007 0.000 0.312 579 R C -1.061 175.220 176.300 -0.032 0.000 0.980 579 R CA -0.636 55.451 56.100 -0.022 0.000 0.867 579 R CB 2.042 32.328 30.300 -0.024 0.000 1.163 579 R HN 0.542 nan 8.270 nan 0.000 0.492 580 I N 1.711 122.271 120.570 -0.015 0.000 2.441 580 I HA 0.302 4.476 4.170 0.007 0.000 0.295 580 I C -0.005 176.116 176.117 0.007 0.000 0.994 580 I CA -0.467 60.823 61.300 -0.016 0.000 1.144 580 I CB 2.389 40.383 38.000 -0.010 0.000 1.314 580 I HN 0.375 nan 8.210 nan 0.000 0.445 581 T N 4.635 119.186 114.554 -0.004 0.000 2.786 581 T HA 0.242 4.597 4.350 0.007 0.000 0.283 581 T C -0.364 174.348 174.700 0.020 0.000 0.992 581 T CA -0.558 61.548 62.100 0.010 0.000 0.954 581 T CB 1.069 69.934 68.868 -0.004 0.000 0.934 581 T HN 0.552 nan 8.240 nan 0.000 0.440 582 E N 0.974 121.201 120.200 0.044 0.000 2.210 582 E HA -0.146 4.208 4.350 0.007 0.000 0.201 582 E C 0.522 177.162 176.600 0.067 0.000 1.339 582 E CA 0.676 57.114 56.400 0.064 0.000 0.699 582 E CB -1.307 28.423 29.700 0.050 0.000 1.126 582 E HN 0.907 nan 8.360 nan 0.000 0.355 583 G N 0.506 109.354 108.800 0.079 0.000 2.448 583 G HA2 0.559 4.524 3.960 0.007 0.000 0.285 583 G HA3 0.559 4.524 3.960 0.007 0.000 0.285 583 G C 0.037 175.001 174.900 0.106 0.000 1.176 583 G CA -0.621 44.508 45.100 0.048 0.000 0.852 583 G HN 0.080 nan 8.290 nan 0.000 0.530 584 R N -0.629 119.852 120.500 -0.032 0.000 2.808 584 R HA 0.336 4.681 4.340 0.007 0.000 0.272 584 R C -0.558 175.509 176.300 -0.388 0.000 0.995 584 R CA -0.977 54.982 56.100 -0.236 0.000 0.917 584 R CB 1.324 31.402 30.300 -0.369 0.000 1.217 584 R HN 0.631 nan 8.270 nan 0.000 0.471 585 H N 4.434 123.020 119.070 -0.807 0.000 2.944 585 H HA 0.099 4.660 4.556 0.007 0.000 0.278 585 H C -1.557 173.519 175.328 -0.419 0.000 1.083 585 H CA -1.796 53.984 56.048 -0.447 0.000 1.479 585 H CB 1.225 30.836 29.762 -0.252 0.000 1.486 585 H HN 0.330 nan 8.280 nan 0.000 0.493 586 P HA -0.143 nan 4.420 nan 0.000 0.221 586 P C 1.256 178.504 177.300 -0.087 0.000 1.145 586 P CA 0.610 63.577 63.100 -0.222 0.000 0.795 586 P CB 0.654 32.217 31.700 -0.229 0.000 0.775 587 V N -0.662 119.235 119.914 -0.029 0.000 2.581 587 V HA -0.065 4.059 4.120 0.007 0.000 0.240 587 V C 2.680 178.863 176.094 0.148 0.000 1.054 587 V CA 0.880 63.241 62.300 0.101 0.000 1.076 587 V CB -0.830 31.082 31.823 0.148 0.000 0.748 587 V HN -0.127 nan 8.190 nan 0.000 0.474 588 V N 1.819 121.902 119.914 0.282 0.000 2.490 588 V HA -0.267 3.858 4.120 0.007 0.000 0.250 588 V C 2.556 178.715 176.094 0.108 0.000 1.061 588 V CA 2.320 64.691 62.300 0.119 0.000 1.064 588 V CB -0.856 30.999 31.823 0.054 0.000 0.670 588 V HN 0.875 nan 8.190 nan 0.000 0.461 589 E N -0.338 119.842 120.200 -0.033 0.000 2.150 589 E HA -0.241 4.113 4.350 0.007 0.000 0.193 589 E C 2.029 178.655 176.600 0.042 0.000 0.985 589 E CA 1.057 57.448 56.400 -0.016 0.000 0.814 589 E CB -0.235 29.337 29.700 -0.213 0.000 0.752 589 E HN 0.519 nan 8.360 nan 0.000 0.466 590 Q N 0.783 120.600 119.800 0.029 0.000 2.096 590 Q HA -0.052 4.292 4.340 0.007 0.000 0.197 590 Q C 2.617 178.640 176.000 0.037 0.000 0.964 590 Q CA 1.644 57.466 55.803 0.031 0.000 0.838 590 Q CB -0.207 28.546 28.738 0.025 0.000 0.906 590 Q HN 0.444 nan 8.270 nan 0.000 0.444 591 V N -0.847 119.093 119.914 0.044 0.000 2.951 591 V HA 0.042 4.167 4.120 0.007 0.000 0.255 591 V C 0.876 176.993 176.094 0.038 0.000 1.088 591 V CA 0.146 62.468 62.300 0.037 0.000 1.109 591 V CB -0.297 31.547 31.823 0.034 0.000 0.724 591 V HN 0.088 nan 8.190 nan 0.000 0.471 592 L N 2.642 123.898 121.223 0.056 0.000 2.360 592 L HA 0.313 4.658 4.340 0.007 0.000 0.276 592 L C 0.525 177.422 176.870 0.045 0.000 1.121 592 L CA 0.457 55.329 54.840 0.053 0.000 0.845 592 L CB -0.092 42.020 42.059 0.087 0.000 1.143 592 L HN 0.351 nan 8.230 nan 0.000 0.452 593 N N 6.345 125.064 118.700 0.031 0.000 2.968 593 N HA 0.205 4.950 4.740 0.007 0.000 0.271 593 N C -0.959 174.568 175.510 0.028 0.000 1.174 593 N CA -0.057 53.009 53.050 0.027 0.000 1.096 593 N CB 0.177 38.677 38.487 0.021 0.000 1.403 593 N HN 0.700 nan 8.380 nan 0.000 0.522 594 E N 0.169 120.391 120.200 0.036 0.000 3.608 594 E HA 0.028 4.382 4.350 0.007 0.000 0.387 594 E C -3.304 173.326 176.600 0.050 0.000 1.254 594 E CA -1.160 55.261 56.400 0.035 0.000 1.748 594 E CB -0.262 29.454 29.700 0.027 0.000 1.104 594 E HN -0.021 nan 8.360 nan 0.000 0.363 595 P HA 0.248 nan 4.420 nan 0.000 0.281 595 P C -0.929 176.420 177.300 0.082 0.000 1.252 595 P CA -0.197 62.947 63.100 0.074 0.000 0.778 595 P CB 0.098 31.830 31.700 0.053 0.000 0.895 596 F N 4.257 124.209 119.950 0.003 0.000 2.504 596 F HA 0.149 4.680 4.527 0.007 0.000 0.369 596 F C 0.571 176.381 175.800 0.017 0.000 1.082 596 F CA -0.453 57.544 58.000 -0.003 0.000 1.216 596 F CB 0.352 39.360 39.000 0.014 0.000 1.108 596 F HN 0.167 nan 8.300 nan 0.000 0.554 597 I N 6.996 127.345 120.570 -0.368 0.000 2.421 597 I HA 0.140 4.315 4.170 0.007 0.000 0.291 597 I C 0.777 176.891 176.117 -0.004 0.000 1.089 597 I CA -0.207 61.005 61.300 -0.146 0.000 1.354 597 I CB -0.509 37.399 38.000 -0.154 0.000 1.413 597 I HN 0.631 nan 8.210 nan 0.000 0.513 598 A N 7.595 130.516 122.820 0.170 0.000 2.366 598 A HA 0.485 4.810 4.320 0.007 0.000 0.249 598 A C 0.216 177.894 177.584 0.157 0.000 1.084 598 A CA -0.242 51.941 52.037 0.244 0.000 0.794 598 A CB 0.348 19.455 19.000 0.178 0.000 1.034 598 A HN 0.771 nan 8.150 nan 0.000 0.491 599 N N 0.281 119.098 118.700 0.195 0.000 2.324 599 N HA 0.524 5.268 4.740 0.007 0.000 0.285 599 N C -3.166 172.462 175.510 0.196 0.000 1.076 599 N CA -0.868 52.286 53.050 0.172 0.000 0.864 599 N CB 2.541 41.165 38.487 0.228 0.000 1.632 599 N HN 0.324 nan 8.380 nan 0.000 0.478 600 P HA 0.502 nan 4.420 nan 0.000 0.279 600 P C -0.994 176.438 177.300 0.220 0.000 1.276 600 P CA -0.604 62.576 63.100 0.133 0.000 0.801 600 P CB 1.160 32.904 31.700 0.072 0.000 1.127 601 L N 0.587 121.893 121.223 0.138 0.000 2.565 601 L HA 0.556 4.900 4.340 0.007 0.000 0.261 601 L C -1.729 175.180 176.870 0.065 0.000 0.932 601 L CA -0.305 54.618 54.840 0.139 0.000 0.878 601 L CB 2.028 44.122 42.059 0.059 0.000 1.333 601 L HN 0.171 nan 8.230 nan 0.000 0.409 602 N N 4.112 122.850 118.700 0.063 0.000 2.442 602 N HA 0.742 5.486 4.740 0.007 0.000 0.274 602 N C -1.855 173.671 175.510 0.027 0.000 1.002 602 N CA -0.221 52.848 53.050 0.032 0.000 0.910 602 N CB 1.299 39.801 38.487 0.026 0.000 1.244 602 N HN 0.646 nan 8.380 nan 0.000 0.492 603 L N 1.974 123.204 121.223 0.011 0.000 2.408 603 L HA 0.695 5.039 4.340 0.007 0.000 0.268 603 L C -0.559 176.307 176.870 -0.008 0.000 0.986 603 L CA -0.528 54.314 54.840 0.004 0.000 0.820 603 L CB 1.802 43.862 42.059 0.000 0.000 1.303 603 L HN 0.704 nan 8.230 nan 0.000 0.411 604 S N 1.671 117.363 115.700 -0.012 0.000 2.643 604 S HA 0.549 5.023 4.470 0.007 0.000 0.270 604 S C -2.679 171.904 174.600 -0.029 0.000 1.166 604 S CA -1.017 57.169 58.200 -0.023 0.000 0.815 604 S CB 1.872 65.062 63.200 -0.017 0.000 1.139 604 S HN 0.282 nan 8.310 nan 0.000 0.472 605 P HA 0.048 nan 4.420 nan 0.000 0.222 605 P C 0.978 178.264 177.300 -0.023 0.000 1.147 605 P CA 1.148 64.227 63.100 -0.036 0.000 0.790 605 P CB 0.049 31.724 31.700 -0.041 0.000 0.780 606 Q N -1.251 118.538 119.800 -0.019 0.000 2.163 606 Q HA 0.040 4.384 4.340 0.007 0.000 0.198 606 Q C 1.397 177.387 176.000 -0.016 0.000 0.954 606 Q CA 0.840 56.634 55.803 -0.015 0.000 0.851 606 Q CB -0.073 28.658 28.738 -0.012 0.000 0.928 606 Q HN 0.081 nan 8.270 nan 0.000 0.459 607 R N 1.267 121.759 120.500 -0.013 0.000 2.860 607 R HA 0.194 4.538 4.340 0.007 0.000 0.282 607 R C 0.458 176.754 176.300 -0.007 0.000 1.408 607 R CA -0.084 56.010 56.100 -0.010 0.000 1.636 607 R CB 0.157 30.456 30.300 -0.003 0.000 1.187 607 R HN 0.147 nan 8.270 nan 0.000 0.611 608 R N 1.962 122.455 120.500 -0.012 0.000 2.282 608 R HA 0.191 4.535 4.340 0.007 0.000 0.195 608 R C 0.209 176.510 176.300 0.002 0.000 0.909 608 R CA 0.059 56.154 56.100 -0.008 0.000 1.039 608 R CB 0.426 30.718 30.300 -0.014 0.000 1.015 608 R HN 0.295 nan 8.270 nan 0.000 0.513 609 M N 1.755 121.352 119.600 -0.005 0.000 2.263 609 M HA 0.408 4.893 4.480 0.007 0.000 0.295 609 M C -1.962 174.340 176.300 0.003 0.000 1.028 609 M CA -0.763 54.540 55.300 0.005 0.000 0.921 609 M CB 2.131 34.715 32.600 -0.027 0.000 1.601 609 M HN 0.010 nan 8.290 nan 0.000 0.440 610 L N 5.914 127.164 121.223 0.045 0.000 2.313 610 L HA 0.538 4.882 4.340 0.007 0.000 0.283 610 L C -0.656 176.258 176.870 0.073 0.000 1.013 610 L CA -0.953 53.920 54.840 0.055 0.000 0.816 610 L CB 1.610 43.732 42.059 0.105 0.000 1.236 610 L HN 0.617 nan 8.230 nan 0.000 0.419 611 I N 4.788 125.364 120.570 0.011 0.000 2.352 611 I HA 0.283 4.457 4.170 0.007 0.000 0.290 611 I C 0.168 176.326 176.117 0.069 0.000 1.036 611 I CA -0.111 61.197 61.300 0.014 0.000 1.336 611 I CB 1.046 38.970 38.000 -0.126 0.000 1.407 611 I HN 0.461 nan 8.210 nan 0.000 0.497 612 I N 6.788 127.441 120.570 0.138 0.000 2.339 612 I HA 0.317 4.491 4.170 0.007 0.000 0.290 612 I C 0.522 176.724 176.117 0.141 0.000 0.994 612 I CA -0.167 61.219 61.300 0.143 0.000 1.191 612 I CB 1.596 39.710 38.000 0.190 0.000 1.343 612 I HN 0.612 nan 8.210 nan 0.000 0.458 613 T N 1.861 116.501 114.554 0.144 0.000 2.910 613 T HA 0.988 5.343 4.350 0.007 0.000 0.287 613 T C -0.099 174.735 174.700 0.223 0.000 1.050 613 T CA -0.890 61.313 62.100 0.171 0.000 1.011 613 T CB 2.209 71.155 68.868 0.130 0.000 1.195 613 T HN 1.033 nan 8.240 nan 0.000 0.540 614 G N 0.537 109.493 108.800 0.260 0.000 2.347 614 G HA2 0.406 4.370 3.960 0.007 0.000 0.321 614 G HA3 0.406 4.370 3.960 0.007 0.000 0.321 614 G C -3.417 171.668 174.900 0.309 0.000 1.412 614 G CA -0.860 44.428 45.100 0.314 0.000 0.990 614 G HN 0.754 nan 8.290 nan 0.000 0.637 615 P HA 0.219 nan 4.420 nan 0.000 0.272 615 P C 0.046 177.475 177.300 0.215 0.000 1.240 615 P CA -0.440 62.872 63.100 0.354 0.000 0.791 615 P CB 0.548 32.496 31.700 0.413 0.000 0.978 616 N N 1.278 120.073 118.700 0.158 0.000 2.412 616 N HA -0.002 4.742 4.740 0.007 0.000 0.258 616 N C 0.749 176.175 175.510 -0.139 0.000 1.236 616 N CA 0.603 53.676 53.050 0.038 0.000 0.882 616 N CB -0.418 38.090 38.487 0.034 0.000 1.066 616 N HN 0.439 nan 8.380 nan 0.000 0.465 617 M N 0.114 119.591 119.600 -0.205 0.000 2.943 617 M HA -0.219 4.265 4.480 0.007 0.000 0.198 617 M C 1.068 177.094 176.300 -0.457 0.000 0.606 617 M CA 1.001 56.058 55.300 -0.406 0.000 0.744 617 M CB -2.060 30.132 32.600 -0.680 0.000 2.671 617 M HN 0.599 nan 8.290 nan 0.000 0.342 618 G N -0.051 108.660 108.800 -0.148 0.000 2.572 618 G HA2 0.362 4.327 3.960 0.007 0.000 0.216 618 G HA3 0.362 4.327 3.960 0.007 0.000 0.216 618 G C 1.203 176.155 174.900 0.086 0.000 1.133 618 G CA 0.844 45.969 45.100 0.041 0.000 0.791 618 G HN 1.260 nan 8.290 nan 0.000 0.538 619 G N -0.257 108.599 108.800 0.093 0.000 2.145 619 G HA2 -0.181 3.783 3.960 0.007 0.000 0.145 619 G HA3 -0.181 3.783 3.960 0.007 0.000 0.145 619 G C 0.955 175.927 174.900 0.121 0.000 1.017 619 G CA 0.494 45.673 45.100 0.132 0.000 0.682 619 G HN 0.485 nan 8.290 nan 0.000 0.504 620 K N 0.348 120.815 120.400 0.111 0.000 2.031 620 K HA 0.082 4.406 4.320 0.007 0.000 0.205 620 K C 2.558 179.259 176.600 0.169 0.000 1.049 620 K CA 1.443 57.819 56.287 0.148 0.000 0.939 620 K CB -0.218 32.360 32.500 0.130 0.000 0.717 620 K HN 0.217 nan 8.250 nan 0.000 0.438 621 S N 0.603 116.369 115.700 0.109 0.000 2.368 621 S HA -0.104 4.371 4.470 0.007 0.000 0.224 621 S C 1.997 176.655 174.600 0.096 0.000 1.029 621 S CA 1.506 59.757 58.200 0.084 0.000 0.988 621 S CB -0.264 62.962 63.200 0.044 0.000 0.838 621 S HN 0.322 nan 8.310 nan 0.000 0.462 622 T N 0.701 115.310 114.554 0.091 0.000 2.720 622 T HA -0.141 4.213 4.350 0.007 0.000 0.268 622 T C 1.536 176.377 174.700 0.234 0.000 1.037 622 T CA 1.444 63.600 62.100 0.094 0.000 1.144 622 T CB -0.456 68.452 68.868 0.066 0.000 0.864 622 T HN 0.513 nan 8.240 nan 0.000 0.444 623 Y N 1.381 121.752 120.300 0.118 0.000 2.224 623 Y HA -0.088 4.467 4.550 0.008 0.000 0.289 623 Y C 2.177 178.144 175.900 0.111 0.000 1.146 623 Y CA 1.109 59.285 58.100 0.128 0.000 1.182 623 Y CB -0.428 38.088 38.460 0.093 0.000 0.983 623 Y HN 0.188 nan 8.280 nan 0.000 0.524 624 M N -0.676 118.961 119.600 0.063 0.000 2.098 624 M HA -0.169 4.316 4.480 0.007 0.000 0.262 624 M C 2.312 178.604 176.300 -0.015 0.000 1.072 624 M CA 1.671 56.951 55.300 -0.035 0.000 1.133 624 M CB -0.386 32.237 32.600 0.038 0.000 1.344 624 M HN 0.055 nan 8.290 nan 0.000 0.414 625 R N 0.803 121.345 120.500 0.069 0.000 2.112 625 R HA -0.245 4.099 4.340 0.007 0.000 0.242 625 R C 2.284 178.635 176.300 0.085 0.000 1.137 625 R CA 2.269 58.437 56.100 0.112 0.000 0.944 625 R CB -0.787 29.648 30.300 0.224 0.000 0.857 625 R HN 0.604 nan 8.270 nan 0.000 0.435 626 Q N -0.052 119.844 119.800 0.161 0.000 2.224 626 Q HA -0.091 4.253 4.340 0.007 0.000 0.203 626 Q C 1.375 177.320 176.000 -0.091 0.000 0.970 626 Q CA 1.749 57.561 55.803 0.014 0.000 0.865 626 Q CB -0.196 28.617 28.738 0.126 0.000 0.922 626 Q HN 0.172 nan 8.270 nan 0.000 0.445 627 T N 1.365 115.848 114.554 -0.118 0.000 2.708 627 T HA -0.078 4.277 4.350 0.007 0.000 0.266 627 T C 2.005 176.653 174.700 -0.087 0.000 1.037 627 T CA 1.561 63.575 62.100 -0.143 0.000 1.146 627 T CB -0.355 68.391 68.868 -0.204 0.000 0.865 627 T HN 0.540 nan 8.240 nan 0.000 0.435 628 A N 0.797 123.578 122.820 -0.066 0.000 1.969 628 A HA 0.124 4.448 4.320 0.007 0.000 0.218 628 A C 2.272 179.823 177.584 -0.055 0.000 1.169 628 A CA 0.953 52.964 52.037 -0.044 0.000 0.635 628 A CB -0.714 18.269 19.000 -0.029 0.000 0.810 628 A HN 0.456 nan 8.150 nan 0.000 0.445 629 L N -0.753 120.412 121.223 -0.097 0.000 2.109 629 L HA -0.077 4.267 4.340 0.007 0.000 0.207 629 L C 2.337 179.132 176.870 -0.126 0.000 1.086 629 L CA 0.878 55.636 54.840 -0.137 0.000 0.760 629 L CB -0.330 41.574 42.059 -0.259 0.000 0.910 629 L HN 0.351 nan 8.230 nan 0.000 0.437 630 I N -0.406 120.085 120.570 -0.132 0.000 2.315 630 I HA -0.255 3.919 4.170 0.007 0.000 0.248 630 I C 2.700 178.787 176.117 -0.050 0.000 1.117 630 I CA 1.013 62.238 61.300 -0.126 0.000 1.404 630 I CB -0.307 37.612 38.000 -0.134 0.000 1.071 630 I HN 0.198 nan 8.210 nan 0.000 0.419 631 A N 0.708 123.529 122.820 0.003 0.000 1.873 631 A HA -0.188 4.136 4.320 0.007 0.000 0.215 631 A C 2.316 180.018 177.584 0.196 0.000 1.186 631 A CA 1.264 53.375 52.037 0.124 0.000 0.616 631 A CB -0.850 18.206 19.000 0.094 0.000 0.823 631 A HN 0.393 nan 8.150 nan 0.000 0.442 632 L N -0.880 120.393 121.223 0.084 0.000 1.990 632 L HA -0.259 4.086 4.340 0.007 0.000 0.213 632 L C 2.742 179.669 176.870 0.094 0.000 1.072 632 L CA 2.296 57.182 54.840 0.076 0.000 0.755 632 L CB -0.228 41.831 42.059 -0.001 0.000 0.889 632 L HN 0.453 nan 8.230 nan 0.000 0.432 633 M N -1.146 118.474 119.600 0.032 0.000 2.117 633 M HA -0.192 4.293 4.480 0.007 0.000 0.262 633 M C 2.333 178.660 176.300 0.045 0.000 1.065 633 M CA 1.733 57.048 55.300 0.026 0.000 1.114 633 M CB -0.454 32.114 32.600 -0.053 0.000 1.361 633 M HN 0.463 nan 8.290 nan 0.000 0.408 634 A N -0.793 122.029 122.820 0.005 0.000 1.978 634 A HA -0.183 4.141 4.320 0.007 0.000 0.220 634 A C 1.418 178.964 177.584 -0.064 0.000 1.170 634 A CA 1.455 53.447 52.037 -0.076 0.000 0.636 634 A CB -0.893 17.992 19.000 -0.191 0.000 0.810 634 A HN 0.589 nan 8.150 nan 0.000 0.448 635 Y N -0.518 119.859 120.300 0.128 0.000 2.532 635 Y HA 0.289 4.844 4.550 0.009 0.000 0.283 635 Y C 1.427 177.340 175.900 0.022 0.000 1.181 635 Y CA 0.109 58.264 58.100 0.091 0.000 1.256 635 Y CB 0.107 38.598 38.460 0.052 0.000 1.112 635 Y HN 0.492 nan 8.280 nan 0.000 0.521 636 I N -5.057 115.591 120.570 0.130 0.000 4.018 636 I HA 0.548 4.723 4.170 0.007 0.000 0.337 636 I C 1.521 177.666 176.117 0.047 0.000 1.327 636 I CA 0.579 61.919 61.300 0.068 0.000 1.100 636 I CB 0.522 38.629 38.000 0.178 0.000 1.025 636 I HN 0.048 nan 8.210 nan 0.000 0.396 637 G N 1.202 110.054 108.800 0.087 0.000 2.194 637 G HA2 -0.286 3.678 3.960 0.007 0.000 0.236 637 G HA3 -0.286 3.678 3.960 0.007 0.000 0.236 637 G C 0.423 175.442 174.900 0.198 0.000 0.987 637 G CA 0.215 45.390 45.100 0.124 0.000 0.635 637 G HN 0.609 nan 8.290 nan 0.000 0.520 638 S N -0.227 115.591 115.700 0.196 0.000 2.603 638 S HA 0.639 5.113 4.470 0.007 0.000 0.268 638 S C 0.711 175.503 174.600 0.319 0.000 1.317 638 S CA -0.574 57.766 58.200 0.234 0.000 1.012 638 S CB 0.375 63.694 63.200 0.198 0.000 0.926 638 S HN 0.283 nan 8.310 nan 0.000 0.539 639 Y N 1.499 121.863 120.300 0.106 0.000 2.296 639 Y HA 0.431 4.985 4.550 0.007 0.000 0.343 639 Y C 0.724 176.617 175.900 -0.011 0.000 1.292 639 Y CA -0.985 57.165 58.100 0.084 0.000 1.490 639 Y CB 0.169 38.735 38.460 0.177 0.000 1.359 639 Y HN 0.344 nan 8.280 nan 0.000 0.599 640 V N 3.097 122.998 119.914 -0.020 0.000 2.789 640 V HA 0.327 4.452 4.120 0.007 0.000 0.311 640 V C -2.322 173.454 176.094 -0.530 0.000 1.073 640 V CA -2.106 59.987 62.300 -0.344 0.000 0.921 640 V CB 2.529 34.217 31.823 -0.225 0.000 1.009 640 V HN 0.574 nan 8.190 nan 0.000 0.426 641 P HA 0.394 nan 4.420 nan 0.000 0.249 641 P C -0.665 176.520 177.300 -0.191 0.000 1.737 641 P CA 0.380 63.174 63.100 -0.510 0.000 1.128 641 P CB 0.424 31.810 31.700 -0.523 0.000 1.942 642 A N 2.109 124.873 122.820 -0.093 0.000 2.566 642 A HA 0.266 4.591 4.320 0.007 0.000 0.290 642 A C 0.793 178.366 177.584 -0.019 0.000 1.071 642 A CA -0.482 51.527 52.037 -0.047 0.000 0.658 642 A CB 0.548 19.504 19.000 -0.074 0.000 1.285 642 A HN 0.231 nan 8.150 nan 0.000 0.427 643 Q N -0.103 119.692 119.800 -0.009 0.000 2.297 643 Q HA 0.088 4.432 4.340 0.007 0.000 0.204 643 Q C 0.263 176.241 176.000 -0.036 0.000 0.962 643 Q CA 1.671 57.468 55.803 -0.010 0.000 0.879 643 Q CB 0.004 28.743 28.738 0.002 0.000 0.947 643 Q HN 0.538 nan 8.270 nan 0.000 0.462 644 K N -0.899 119.468 120.400 -0.055 0.000 2.609 644 K HA 0.269 4.593 4.320 0.007 0.000 0.261 644 K C -2.166 174.377 176.600 -0.096 0.000 0.945 644 K CA -0.462 55.776 56.287 -0.082 0.000 0.898 644 K CB 1.520 33.983 32.500 -0.063 0.000 1.349 644 K HN -0.077 nan 8.250 nan 0.000 0.420 645 V N 3.007 122.838 119.914 -0.139 0.000 2.709 645 V HA 0.469 4.593 4.120 0.007 0.000 0.308 645 V C -1.003 174.983 176.094 -0.181 0.000 1.062 645 V CA -0.650 61.560 62.300 -0.149 0.000 0.901 645 V CB 1.953 33.671 31.823 -0.175 0.000 1.003 645 V HN 0.783 nan 8.190 nan 0.000 0.425 646 E N 3.964 124.081 120.200 -0.138 0.000 2.216 646 E HA 0.598 4.952 4.350 0.007 0.000 0.260 646 E C -1.325 175.223 176.600 -0.088 0.000 0.880 646 E CA -0.362 55.959 56.400 -0.132 0.000 0.765 646 E CB 2.725 32.377 29.700 -0.080 0.000 1.174 646 E HN 0.595 nan 8.360 nan 0.000 0.417 647 I N 2.137 122.654 120.570 -0.087 0.000 2.533 647 I HA 0.531 4.705 4.170 0.007 0.000 0.290 647 I C 0.036 176.255 176.117 0.171 0.000 1.056 647 I CA -0.505 60.815 61.300 0.033 0.000 1.057 647 I CB 1.427 39.450 38.000 0.038 0.000 1.240 647 I HN 0.600 nan 8.210 nan 0.000 0.423 648 G N 6.293 115.187 108.800 0.157 0.000 2.557 648 G HA2 0.503 4.467 3.960 0.007 0.000 0.292 648 G HA3 0.503 4.467 3.960 0.007 0.000 0.292 648 G C -2.743 172.313 174.900 0.261 0.000 1.237 648 G CA -1.207 43.989 45.100 0.159 0.000 0.978 648 G HN 0.432 nan 8.290 nan 0.000 0.498 649 P HA 0.217 nan 4.420 nan 0.000 0.271 649 P C -0.595 176.750 177.300 0.075 0.000 1.220 649 P CA 0.333 63.537 63.100 0.174 0.000 0.768 649 P CB 1.033 32.888 31.700 0.258 0.000 0.848 650 I N 3.053 123.548 120.570 -0.125 0.000 2.474 650 I HA 0.179 4.353 4.170 0.007 0.000 0.294 650 I C 1.298 177.341 176.117 -0.124 0.000 1.005 650 I CA -0.549 60.687 61.300 -0.106 0.000 1.113 650 I CB 2.140 40.021 38.000 -0.199 0.000 1.289 650 I HN 0.339 nan 8.210 nan 0.000 0.436 651 D N 4.982 125.375 120.400 -0.012 0.000 2.324 651 D HA 0.060 4.704 4.640 0.007 0.000 0.212 651 D C 0.493 176.731 176.300 -0.103 0.000 0.984 651 D CA 0.528 54.496 54.000 -0.054 0.000 0.885 651 D CB 0.555 41.348 40.800 -0.012 0.000 0.996 651 D HN 0.410 nan 8.370 nan 0.000 0.505 652 R N -0.233 120.201 120.500 -0.109 0.000 2.561 652 R HA 0.512 4.856 4.340 0.007 0.000 0.266 652 R C -1.089 175.046 176.300 -0.275 0.000 1.091 652 R CA -0.600 55.343 56.100 -0.262 0.000 0.927 652 R CB 2.221 32.294 30.300 -0.379 0.000 1.240 652 R HN -0.023 nan 8.270 nan 0.000 0.449 653 I N 2.705 123.065 120.570 -0.349 0.000 2.377 653 I HA 0.438 4.612 4.170 0.007 0.000 0.293 653 I C -0.814 175.075 176.117 -0.380 0.000 0.987 653 I CA -0.618 60.544 61.300 -0.231 0.000 1.185 653 I CB 1.083 39.009 38.000 -0.123 0.000 1.341 653 I HN 0.346 nan 8.210 nan 0.000 0.455 654 F N 2.826 122.767 119.950 -0.014 0.000 2.507 654 F HA 0.462 4.992 4.527 0.005 0.000 0.325 654 F C 0.273 176.059 175.800 -0.023 0.000 1.116 654 F CA -0.555 57.435 58.000 -0.016 0.000 0.930 654 F CB 2.249 41.241 39.000 -0.014 0.000 1.146 654 F HN 0.237 nan 8.300 nan 0.000 0.447 655 T N 3.903 118.547 114.554 0.149 0.000 2.812 655 T HA 0.383 4.737 4.350 0.007 0.000 0.282 655 T C -0.706 174.026 174.700 0.054 0.000 0.990 655 T CA -0.750 61.393 62.100 0.072 0.000 0.960 655 T CB 1.244 70.134 68.868 0.037 0.000 0.948 655 T HN 0.361 nan 8.240 nan 0.000 0.438 656 R N 3.751 124.256 120.500 0.008 0.000 2.358 656 R HA 0.541 4.886 4.340 0.007 0.000 0.309 656 R C -0.573 175.704 176.300 -0.039 0.000 1.026 656 R CA -0.334 55.754 56.100 -0.021 0.000 0.909 656 R CB 0.458 30.721 30.300 -0.060 0.000 1.153 656 R HN 0.622 nan 8.270 nan 0.000 0.515 657 V N 0.682 120.588 119.914 -0.013 0.000 3.234 657 V HA 0.833 4.957 4.120 0.007 0.000 0.317 657 V C 0.649 176.747 176.094 0.007 0.000 1.147 657 V CA -0.896 61.400 62.300 -0.007 0.000 1.037 657 V CB 1.326 33.152 31.823 0.005 0.000 1.148 657 V HN 0.588 nan 8.190 nan 0.000 0.455 658 G N -0.515 108.298 108.800 0.021 0.000 2.569 658 G HA2 0.595 4.560 3.960 0.007 0.000 0.249 658 G HA3 0.595 4.560 3.960 0.007 0.000 0.249 658 G C -0.099 174.822 174.900 0.035 0.000 1.216 658 G CA 0.091 45.215 45.100 0.040 0.000 0.845 658 G HN 1.538 nan 8.290 nan 0.000 0.568 667 R N -0.761 119.754 120.500 0.024 0.000 5.072 667 R HA 0.490 4.835 4.340 0.007 0.000 0.116 667 R C 0.627 176.949 176.300 0.038 0.000 1.152 667 R CA 0.102 56.219 56.100 0.028 0.000 0.887 667 R CB 0.052 30.368 30.300 0.025 0.000 1.367 667 R HN 0.563 nan 8.270 nan 0.000 0.403 668 S N 1.814 117.541 115.700 0.045 0.000 2.404 668 S HA 0.115 4.589 4.470 0.007 0.000 0.309 668 S C 0.929 175.578 174.600 0.081 0.000 1.076 668 S CA -0.348 57.892 58.200 0.066 0.000 1.095 668 S CB 1.143 64.385 63.200 0.070 0.000 0.972 668 S HN 0.429 nan 8.310 nan 0.000 0.484 669 T N 2.989 117.603 114.554 0.100 0.000 2.904 669 T HA -0.075 4.280 4.350 0.007 0.000 0.267 669 T C 1.403 176.198 174.700 0.159 0.000 1.059 669 T CA 0.722 62.886 62.100 0.108 0.000 1.137 669 T CB -0.425 68.506 68.868 0.104 0.000 0.879 669 T HN 0.585 nan 8.240 nan 0.000 0.467 670 F N 1.239 121.209 119.950 0.034 0.000 2.293 670 F HA 0.282 4.814 4.527 0.008 0.000 0.297 670 F C 2.158 177.979 175.800 0.036 0.000 1.089 670 F CA 0.578 58.602 58.000 0.040 0.000 1.377 670 F CB -0.374 38.653 39.000 0.045 0.000 1.051 670 F HN 0.106 nan 8.300 nan 0.000 0.511 671 M N 0.548 120.174 119.600 0.044 0.000 2.080 671 M HA -0.129 4.355 4.480 0.007 0.000 0.260 671 M C 2.251 178.500 176.300 -0.085 0.000 1.068 671 M CA 2.556 57.828 55.300 -0.045 0.000 1.109 671 M CB -1.024 31.589 32.600 0.022 0.000 1.342 671 M HN 0.100 nan 8.290 nan 0.000 0.405 672 V N -2.027 117.865 119.914 -0.036 0.000 2.358 672 V HA -0.170 3.954 4.120 0.007 0.000 0.246 672 V C 1.861 177.919 176.094 -0.059 0.000 1.047 672 V CA 2.133 64.414 62.300 -0.032 0.000 1.035 672 V CB -1.459 30.363 31.823 -0.002 0.000 0.658 672 V HN 0.597 nan 8.190 nan 0.000 0.452 673 E N -0.128 120.026 120.200 -0.077 0.000 2.153 673 E HA -0.136 4.219 4.350 0.007 0.000 0.194 673 E C 2.232 178.729 176.600 -0.173 0.000 0.988 673 E CA 1.664 58.008 56.400 -0.094 0.000 0.811 673 E CB -0.209 29.462 29.700 -0.048 0.000 0.746 673 E HN 0.468 nan 8.360 nan 0.000 0.466 674 M N 0.135 119.558 119.600 -0.296 0.000 2.288 674 M HA -0.070 4.414 4.480 0.007 0.000 0.266 674 M C 2.526 178.737 176.300 -0.148 0.000 1.072 674 M CA 1.454 56.574 55.300 -0.301 0.000 1.132 674 M CB -0.909 31.416 32.600 -0.459 0.000 1.386 674 M HN 0.198 nan 8.290 nan 0.000 0.432 675 T N -2.573 111.918 114.554 -0.104 0.000 2.904 675 T HA -0.060 4.294 4.350 0.007 0.000 0.267 675 T C 1.674 176.359 174.700 -0.025 0.000 1.059 675 T CA 1.093 63.166 62.100 -0.044 0.000 1.137 675 T CB -0.222 68.630 68.868 -0.027 0.000 0.879 675 T HN 0.387 nan 8.240 nan 0.000 0.467 676 E N 0.617 120.794 120.200 -0.037 0.000 2.152 676 E HA -0.043 4.311 4.350 0.007 0.000 0.192 676 E C 2.179 178.760 176.600 -0.032 0.000 0.983 676 E CA 1.193 57.584 56.400 -0.015 0.000 0.818 676 E CB -0.086 29.607 29.700 -0.011 0.000 0.758 676 E HN 0.496 nan 8.360 nan 0.000 0.467 677 T N 0.341 114.857 114.554 -0.063 0.000 2.904 677 T HA -0.080 4.275 4.350 0.007 0.000 0.267 677 T C 1.840 176.484 174.700 -0.094 0.000 1.059 677 T CA 0.960 63.010 62.100 -0.084 0.000 1.137 677 T CB -0.054 68.762 68.868 -0.086 0.000 0.879 677 T HN 0.207 nan 8.240 nan 0.000 0.467 678 A N 2.011 124.796 122.820 -0.058 0.000 1.898 678 A HA -0.112 4.212 4.320 0.007 0.000 0.216 678 A C 2.109 179.721 177.584 0.048 0.000 1.181 678 A CA 1.939 53.964 52.037 -0.021 0.000 0.620 678 A CB -0.897 18.147 19.000 0.073 0.000 0.819 678 A HN 0.559 nan 8.150 nan 0.000 0.442 679 N N 0.098 118.829 118.700 0.053 0.000 2.104 679 N HA -0.162 4.582 4.740 0.007 0.000 0.190 679 N C 1.485 176.956 175.510 -0.065 0.000 1.024 679 N CA 2.038 55.128 53.050 0.067 0.000 0.853 679 N CB -0.402 38.135 38.487 0.083 0.000 1.008 679 N HN 0.508 nan 8.380 nan 0.000 0.424 680 I N 0.024 120.466 120.570 -0.213 0.000 2.226 680 I HA -0.242 3.932 4.170 0.007 0.000 0.245 680 I C 1.808 177.646 176.117 -0.466 0.000 1.100 680 I CA 0.938 61.889 61.300 -0.582 0.000 1.374 680 I CB -0.196 37.540 38.000 -0.440 0.000 1.057 680 I HN 0.234 nan 8.210 nan 0.000 0.413 681 L N -0.638 120.411 121.223 -0.290 0.000 2.395 681 L HA -0.132 4.212 4.340 0.007 0.000 0.218 681 L C 2.300 179.006 176.870 -0.273 0.000 1.130 681 L CA 0.659 55.330 54.840 -0.281 0.000 0.826 681 L CB -0.582 41.297 42.059 -0.300 0.000 0.941 681 L HN 0.357 nan 8.230 nan 0.000 0.451 682 H N -0.487 118.521 119.070 -0.103 0.000 2.520 682 H HA 0.156 4.717 4.556 0.008 0.000 0.279 682 H C 1.182 176.491 175.328 -0.032 0.000 0.990 682 H CA 0.717 56.734 56.048 -0.051 0.000 1.288 682 H CB 0.553 30.296 29.762 -0.031 0.000 1.446 682 H HN 0.368 nan 8.280 nan 0.000 0.538 683 N N 0.054 118.787 118.700 0.056 0.000 2.166 683 N HA 0.145 4.890 4.740 0.007 0.000 0.213 683 N C 0.417 176.015 175.510 0.148 0.000 1.222 683 N CA 0.040 53.163 53.050 0.122 0.000 0.900 683 N CB 1.540 40.164 38.487 0.229 0.000 1.055 683 N HN 0.027 nan 8.380 nan 0.000 0.515 684 A N 1.276 124.052 122.820 -0.074 0.000 2.322 684 A HA 0.572 4.897 4.320 0.007 0.000 0.269 684 A C 0.799 178.427 177.584 0.073 0.000 1.094 684 A CA 0.025 52.060 52.037 -0.004 0.000 0.807 684 A CB 0.430 19.256 19.000 -0.291 0.000 1.047 684 A HN 0.219 nan 8.150 nan 0.000 0.487 685 T N -1.841 112.800 114.554 0.144 0.000 2.693 685 T HA 0.459 4.813 4.350 0.007 0.000 0.278 685 T C 0.419 175.213 174.700 0.157 0.000 0.994 685 T CA -0.304 61.875 62.100 0.133 0.000 1.033 685 T CB 0.881 69.831 68.868 0.137 0.000 1.342 685 T HN 0.537 nan 8.240 nan 0.000 0.538 686 E N -0.690 119.630 120.200 0.200 0.000 2.418 686 E HA 0.016 4.370 4.350 0.007 0.000 0.197 686 E C 0.434 177.121 176.600 0.146 0.000 1.026 686 E CA 0.755 57.255 56.400 0.167 0.000 0.862 686 E CB -0.173 29.629 29.700 0.171 0.000 0.799 686 E HN 0.623 nan 8.360 nan 0.000 0.518 687 Y N -0.066 120.253 120.300 0.031 0.000 2.458 687 Y HA 0.144 4.702 4.550 0.012 0.000 0.256 687 Y C 0.670 176.584 175.900 0.024 0.000 1.159 687 Y CA -0.584 57.527 58.100 0.019 0.000 1.261 687 Y CB 0.953 39.413 38.460 0.001 0.000 1.119 687 Y HN -0.174 nan 8.280 nan 0.000 0.524 688 S N 1.418 117.238 115.700 0.199 0.000 2.562 688 S HA 0.289 4.763 4.470 0.007 0.000 0.275 688 S C -0.746 173.939 174.600 0.143 0.000 1.281 688 S CA -0.568 57.746 58.200 0.189 0.000 1.045 688 S CB 1.505 64.921 63.200 0.361 0.000 0.962 688 S HN 0.157 nan 8.310 nan 0.000 0.503 689 L N 3.919 125.209 121.223 0.112 0.000 2.289 689 L HA 0.619 4.964 4.340 0.007 0.000 0.285 689 L C -1.109 175.856 176.870 0.158 0.000 1.049 689 L CA -0.141 54.753 54.840 0.089 0.000 0.804 689 L CB 0.992 43.071 42.059 0.034 0.000 1.195 689 L HN 0.449 nan 8.230 nan 0.000 0.428 690 V N 6.767 126.762 119.914 0.134 0.000 2.447 690 V HA 0.384 4.509 4.120 0.007 0.000 0.292 690 V C -0.330 175.807 176.094 0.071 0.000 1.021 690 V CA -0.554 61.834 62.300 0.146 0.000 0.850 690 V CB 1.486 33.367 31.823 0.097 0.000 1.005 690 V HN 0.584 nan 8.190 nan 0.000 0.426 691 L N 5.639 126.895 121.223 0.056 0.000 2.262 691 L HA 0.599 4.944 4.340 0.007 0.000 0.288 691 L C -0.341 176.493 176.870 -0.059 0.000 1.035 691 L CA -0.280 54.563 54.840 0.005 0.000 0.820 691 L CB 1.155 43.222 42.059 0.012 0.000 1.204 691 L HN 0.449 nan 8.230 nan 0.000 0.424 692 M N 2.844 122.344 119.600 -0.167 0.000 2.072 692 M HA 0.367 4.851 4.480 0.007 0.000 0.331 692 M C -0.719 175.371 176.300 -0.349 0.000 1.004 692 M CA -0.296 54.785 55.300 -0.366 0.000 0.952 692 M CB 1.534 33.636 32.600 -0.830 0.000 1.511 692 M HN 0.427 nan 8.290 nan 0.000 0.422 693 D N 2.104 122.383 120.400 -0.201 0.000 2.478 693 D HA 0.324 4.969 4.640 0.007 0.000 0.263 693 D C -0.215 176.018 176.300 -0.111 0.000 1.153 693 D CA -0.251 53.680 54.000 -0.115 0.000 1.038 693 D CB 1.231 42.007 40.800 -0.039 0.000 1.120 693 D HN 0.460 nan 8.370 nan 0.000 0.564 694 E N 0.224 120.399 120.200 -0.041 0.000 2.415 694 E HA 0.252 4.606 4.350 0.007 0.000 0.262 694 E C 0.183 176.801 176.600 0.030 0.000 1.038 694 E CA 0.060 56.449 56.400 -0.019 0.000 0.921 694 E CB 1.083 30.827 29.700 0.074 0.000 0.950 694 E HN 0.373 nan 8.360 nan 0.000 0.438 695 I N -2.106 118.506 120.570 0.070 0.000 3.294 695 I HA 0.631 4.805 4.170 0.007 0.000 0.311 695 I C 0.291 176.523 176.117 0.192 0.000 1.111 695 I CA -1.122 60.255 61.300 0.128 0.000 0.976 695 I CB 1.675 39.758 38.000 0.137 0.000 1.260 695 I HN 0.524 nan 8.210 nan 0.000 0.474 696 G N 1.216 110.140 108.800 0.207 0.000 2.664 696 G HA2 0.465 4.429 3.960 0.007 0.000 0.242 696 G HA3 0.465 4.429 3.960 0.007 0.000 0.242 696 G C -0.054 174.965 174.900 0.198 0.000 1.225 696 G CA 0.040 45.252 45.100 0.186 0.000 0.849 696 G HN 1.022 nan 8.290 nan 0.000 0.581 697 A N 0.070 122.944 122.820 0.089 0.000 2.346 697 A HA 0.707 5.031 4.320 0.007 0.000 0.252 697 A C 1.111 178.517 177.584 -0.297 0.000 1.089 697 A CA 0.329 52.382 52.037 0.027 0.000 0.797 697 A CB 0.161 19.174 19.000 0.021 0.000 1.047 697 A HN 1.308 nan 8.150 nan 0.000 0.494 698 G N -1.240 107.309 108.800 -0.419 0.000 2.508 698 G HA2 0.364 4.328 3.960 0.007 0.000 0.278 698 G HA3 0.364 4.328 3.960 0.007 0.000 0.278 698 G C 1.185 175.868 174.900 -0.361 0.000 1.389 698 G CA 0.593 45.242 45.100 -0.752 0.000 1.050 698 G HN 1.296 nan 8.290 nan 0.000 0.522 699 T N -3.273 111.120 114.554 -0.269 0.000 2.962 699 T HA 0.101 4.455 4.350 0.007 0.000 0.270 699 T C 1.208 175.852 174.700 -0.095 0.000 1.088 699 T CA 1.566 63.584 62.100 -0.138 0.000 1.127 699 T CB -0.053 68.766 68.868 -0.082 0.000 0.883 699 T HN 0.346 nan 8.240 nan 0.000 0.493 700 S N -1.120 114.525 115.700 -0.092 0.000 2.841 700 S HA 0.503 4.978 4.470 0.007 0.000 0.318 700 S C 1.211 175.754 174.600 -0.095 0.000 1.127 700 S CA -0.196 57.961 58.200 -0.073 0.000 0.883 700 S CB 1.332 64.508 63.200 -0.041 0.000 1.271 700 S HN 0.333 nan 8.310 nan 0.000 0.567 701 T N 1.077 115.542 114.554 -0.149 0.000 2.643 701 T HA -0.068 4.286 4.350 0.007 0.000 0.264 701 T C 0.627 175.109 174.700 -0.363 0.000 1.045 701 T CA 1.799 63.700 62.100 -0.331 0.000 1.155 701 T CB -0.422 68.094 68.868 -0.588 0.000 0.863 701 T HN 0.609 nan 8.240 nan 0.000 0.420 702 Y N 0.525 120.827 120.300 0.003 0.000 2.507 702 Y HA 0.306 4.861 4.550 0.007 0.000 0.254 702 Y C 1.620 177.496 175.900 -0.040 0.000 1.171 702 Y CA -1.341 56.739 58.100 -0.032 0.000 1.238 702 Y CB -0.231 38.200 38.460 -0.049 0.000 1.148 702 Y HN 0.117 nan 8.280 nan 0.000 0.525 703 D N 0.381 120.823 120.400 0.070 0.000 2.106 703 D HA -0.170 4.474 4.640 0.007 0.000 0.191 703 D C 2.402 178.743 176.300 0.068 0.000 0.997 703 D CA 2.002 56.025 54.000 0.039 0.000 0.834 703 D CB -0.246 40.532 40.800 -0.037 0.000 0.956 703 D HN 0.380 nan 8.370 nan 0.000 0.448 704 G N -0.162 108.677 108.800 0.064 0.000 2.453 704 G HA2 -0.124 3.840 3.960 0.007 0.000 0.215 704 G HA3 -0.124 3.840 3.960 0.007 0.000 0.215 704 G C 1.560 176.533 174.900 0.121 0.000 1.147 704 G CA 0.610 45.814 45.100 0.173 0.000 0.802 704 G HN 0.346 nan 8.290 nan 0.000 0.535 705 L N 1.538 122.693 121.223 -0.113 0.000 2.083 705 L HA -0.010 4.334 4.340 0.007 0.000 0.209 705 L C 2.751 179.601 176.870 -0.033 0.000 1.083 705 L CA 2.276 56.890 54.840 -0.376 0.000 0.752 705 L CB -0.764 40.992 42.059 -0.505 0.000 0.899 705 L HN 0.153 nan 8.230 nan 0.000 0.433 706 S N -0.089 115.623 115.700 0.019 0.000 2.372 706 S HA -0.232 4.242 4.470 0.007 0.000 0.227 706 S C 1.922 176.589 174.600 0.112 0.000 1.044 706 S CA 2.126 60.346 58.200 0.034 0.000 1.050 706 S CB -0.624 62.590 63.200 0.022 0.000 0.901 706 S HN 0.519 nan 8.310 nan 0.000 0.447 707 L N 0.701 122.007 121.223 0.139 0.000 2.240 707 L HA 0.024 4.369 4.340 0.007 0.000 0.211 707 L C 2.651 179.634 176.870 0.188 0.000 1.106 707 L CA 0.850 55.786 54.840 0.160 0.000 0.793 707 L CB -0.524 41.651 42.059 0.194 0.000 0.927 707 L HN 0.321 nan 8.230 nan 0.000 0.446 708 A N -0.606 122.343 122.820 0.215 0.000 1.930 708 A HA -0.230 4.094 4.320 0.007 0.000 0.217 708 A C 2.136 179.837 177.584 0.194 0.000 1.175 708 A CA 0.972 53.181 52.037 0.286 0.000 0.627 708 A CB -0.780 18.416 19.000 0.326 0.000 0.815 708 A HN 0.618 nan 8.150 nan 0.000 0.443 709 W N 0.751 122.028 121.300 -0.038 0.000 2.379 709 W HA -0.089 4.575 4.660 0.007 0.000 0.307 709 W C 2.353 178.833 176.519 -0.065 0.000 1.200 709 W CA 1.845 59.133 57.345 -0.095 0.000 1.297 709 W CB -0.464 28.937 29.460 -0.098 0.000 1.140 709 W HN 0.401 nan 8.180 nan 0.000 0.507 710 A N -0.348 122.652 122.820 0.300 0.000 1.969 710 A HA -0.195 4.129 4.320 0.007 0.000 0.218 710 A C 2.144 179.787 177.584 0.099 0.000 1.169 710 A CA 1.795 53.944 52.037 0.187 0.000 0.635 710 A CB -1.327 17.746 19.000 0.122 0.000 0.810 710 A HN 0.325 nan 8.150 nan 0.000 0.445 711 C N -1.303 118.059 119.300 0.104 0.000 2.466 711 C HA 0.177 4.641 4.460 0.007 0.000 0.278 711 C C 3.302 178.335 174.990 0.072 0.000 1.288 711 C CA 0.568 59.638 59.018 0.087 0.000 1.722 711 C CB -1.130 26.695 27.740 0.142 0.000 2.017 711 C HN 0.707 nan 8.230 nan 0.000 0.488 712 A N 0.337 123.166 122.820 0.014 0.000 1.933 712 A HA -0.241 4.083 4.320 0.007 0.000 0.218 712 A C 2.134 179.629 177.584 -0.149 0.000 1.175 712 A CA 1.992 53.933 52.037 -0.160 0.000 0.628 712 A CB -0.627 18.011 19.000 -0.604 0.000 0.814 712 A HN 0.744 nan 8.150 nan 0.000 0.444 713 E N -0.311 119.817 120.200 -0.121 0.000 2.112 713 E HA -0.171 4.183 4.350 0.007 0.000 0.190 713 E C 1.958 178.538 176.600 -0.034 0.000 0.979 713 E CA 0.838 57.189 56.400 -0.081 0.000 0.814 713 E CB -0.270 29.430 29.700 -0.000 0.000 0.762 713 E HN 0.660 nan 8.360 nan 0.000 0.460 714 N N 0.582 119.273 118.700 -0.015 0.000 2.244 714 N HA -0.134 4.610 4.740 0.007 0.000 0.183 714 N C 2.024 177.517 175.510 -0.028 0.000 1.016 714 N CA 0.728 53.766 53.050 -0.020 0.000 0.866 714 N CB 0.023 38.493 38.487 -0.028 0.000 0.980 714 N HN 0.243 nan 8.380 nan 0.000 0.430 715 L N 0.450 121.659 121.223 -0.023 0.000 2.179 715 L HA -0.007 4.337 4.340 0.007 0.000 0.208 715 L C 2.542 179.400 176.870 -0.020 0.000 1.096 715 L CA 0.889 55.719 54.840 -0.017 0.000 0.779 715 L CB -0.251 41.818 42.059 0.017 0.000 0.922 715 L HN 0.119 nan 8.230 nan 0.000 0.443 716 A N 0.140 122.936 122.820 -0.039 0.000 1.874 716 A HA -0.195 4.129 4.320 0.007 0.000 0.214 716 A C 2.045 179.610 177.584 -0.031 0.000 1.189 716 A CA 2.032 54.042 52.037 -0.045 0.000 0.615 716 A CB -0.507 18.444 19.000 -0.082 0.000 0.830 716 A HN 0.456 nan 8.150 nan 0.000 0.443 717 N N -1.868 116.815 118.700 -0.028 0.000 2.402 717 N HA 0.005 4.750 4.740 0.007 0.000 0.174 717 N C 1.505 177.009 175.510 -0.009 0.000 1.027 717 N CA 1.226 54.266 53.050 -0.017 0.000 0.891 717 N CB 0.057 38.536 38.487 -0.013 0.000 1.016 717 N HN 0.257 nan 8.380 nan 0.000 0.439 718 K N -0.259 120.134 120.400 -0.011 0.000 2.161 718 K HA 0.378 4.702 4.320 0.007 0.000 0.205 718 K C 1.693 178.292 176.600 -0.002 0.000 1.035 718 K CA 0.603 56.886 56.287 -0.006 0.000 0.970 718 K CB 0.005 32.498 32.500 -0.013 0.000 0.866 718 K HN 0.058 nan 8.250 nan 0.000 0.461 719 I N 0.961 121.525 120.570 -0.009 0.000 2.333 719 I HA -0.135 4.040 4.170 0.007 0.000 0.246 719 I C 0.169 176.295 176.117 0.015 0.000 1.106 719 I CA 0.679 61.979 61.300 -0.000 0.000 1.411 719 I CB -0.043 37.944 38.000 -0.023 0.000 1.082 719 I HN 0.160 nan 8.210 nan 0.000 0.420 720 K N 0.441 120.844 120.400 0.006 0.000 3.129 720 K HA -0.177 4.148 4.320 0.007 0.000 0.273 720 K C 0.276 176.885 176.600 0.015 0.000 1.123 720 K CA 0.204 56.495 56.287 0.007 0.000 0.800 720 K CB -1.807 30.699 32.500 0.009 0.000 1.238 720 K HN 0.441 nan 8.250 nan 0.000 0.492 721 A N 0.693 123.527 122.820 0.023 0.000 2.346 721 A HA 0.380 4.705 4.320 0.007 0.000 0.255 721 A C 0.564 178.165 177.584 0.027 0.000 1.113 721 A CA -0.258 51.803 52.037 0.039 0.000 0.798 721 A CB 0.328 19.361 19.000 0.054 0.000 1.073 721 A HN 0.298 nan 8.150 nan 0.000 0.502 722 L N 1.387 122.630 121.223 0.032 0.000 2.283 722 L HA 0.289 4.634 4.340 0.007 0.000 0.287 722 L C -0.288 176.609 176.870 0.046 0.000 1.073 722 L CA 0.144 54.999 54.840 0.025 0.000 0.822 722 L CB 0.334 42.401 42.059 0.012 0.000 1.186 722 L HN 0.657 nan 8.230 nan 0.000 0.436 723 T N 4.849 119.433 114.554 0.051 0.000 2.840 723 T HA 0.501 4.855 4.350 0.007 0.000 0.287 723 T C -0.078 174.681 174.700 0.098 0.000 0.991 723 T CA -0.487 61.662 62.100 0.082 0.000 0.964 723 T CB 1.435 70.368 68.868 0.109 0.000 0.954 723 T HN 0.281 nan 8.240 nan 0.000 0.438 724 L N 3.301 124.579 121.223 0.091 0.000 2.312 724 L HA 0.596 4.941 4.340 0.007 0.000 0.281 724 L C -0.618 176.349 176.870 0.161 0.000 1.070 724 L CA -0.760 54.151 54.840 0.118 0.000 0.805 724 L CB 0.925 43.024 42.059 0.066 0.000 1.174 724 L HN 0.655 nan 8.230 nan 0.000 0.434 725 F N 2.829 122.799 119.950 0.034 0.000 2.809 725 F HA 0.533 5.063 4.527 0.006 0.000 0.369 725 F C 0.298 176.119 175.800 0.035 0.000 1.225 725 F CA -0.677 57.336 58.000 0.021 0.000 1.201 725 F CB 0.840 39.834 39.000 -0.009 0.000 1.527 725 F HN 0.528 nan 8.300 nan 0.000 0.565 726 A N 3.311 126.216 122.820 0.141 0.000 2.454 726 A HA 0.567 4.892 4.320 0.007 0.000 0.260 726 A C 0.045 177.706 177.584 0.128 0.000 1.106 726 A CA 0.228 52.351 52.037 0.143 0.000 0.780 726 A CB 0.600 19.657 19.000 0.095 0.000 1.044 726 A HN 0.570 nan 8.150 nan 0.000 0.498 727 T N 0.694 115.349 114.554 0.168 0.000 2.923 727 T HA 0.439 4.793 4.350 0.007 0.000 0.311 727 T C 0.661 175.396 174.700 0.058 0.000 1.183 727 T CA -0.289 61.862 62.100 0.086 0.000 1.020 727 T CB 0.735 69.774 68.868 0.284 0.000 1.165 727 T HN 0.797 nan 8.240 nan 0.000 0.482 728 H N 2.047 121.134 119.070 0.028 0.000 2.553 728 H HA 0.149 4.710 4.556 0.007 0.000 0.265 728 H C -0.536 174.831 175.328 0.065 0.000 0.964 728 H CA -0.188 55.867 56.048 0.012 0.000 1.156 728 H CB -0.056 29.656 29.762 -0.083 0.000 1.411 728 H HN 0.408 nan 8.280 nan 0.000 0.558 729 Y N 1.365 121.744 120.300 0.131 0.000 2.640 729 Y HA 0.015 4.569 4.550 0.007 0.000 0.355 729 Y C 0.960 176.989 175.900 0.215 0.000 1.088 729 Y CA -0.770 57.461 58.100 0.217 0.000 1.443 729 Y CB -0.394 38.154 38.460 0.147 0.000 1.224 729 Y HN 0.110 nan 8.280 nan 0.000 0.516 730 F N 1.527 121.636 119.950 0.265 0.000 2.333 730 F HA -0.187 4.345 4.527 0.007 0.000 0.300 730 F C 1.620 177.511 175.800 0.152 0.000 1.083 730 F CA 1.341 59.435 58.000 0.158 0.000 1.395 730 F CB 0.197 39.263 39.000 0.109 0.000 1.056 730 F HN 0.469 nan 8.300 nan 0.000 0.529 731 E N 0.376 120.799 120.200 0.371 0.000 2.110 731 E HA -0.201 4.154 4.350 0.007 0.000 0.193 731 E C 2.056 178.763 176.600 0.179 0.000 0.988 731 E CA 1.338 57.921 56.400 0.305 0.000 0.804 731 E CB -0.389 29.509 29.700 0.330 0.000 0.745 731 E HN 0.436 nan 8.360 nan 0.000 0.458 732 L N 1.009 122.263 121.223 0.052 0.000 2.549 732 L HA -0.084 4.261 4.340 0.007 0.000 0.229 732 L C 2.122 178.802 176.870 -0.316 0.000 1.158 732 L CA 1.202 55.898 54.840 -0.239 0.000 0.842 732 L CB -0.836 41.082 42.059 -0.234 0.000 0.952 732 L HN 0.317 nan 8.230 nan 0.000 0.452 733 T N -4.214 110.168 114.554 -0.287 0.000 3.072 733 T HA -0.150 4.204 4.350 0.007 0.000 0.266 733 T C 1.583 176.137 174.700 -0.244 0.000 1.127 733 T CA 0.598 62.493 62.100 -0.342 0.000 1.107 733 T CB -0.085 68.418 68.868 -0.608 0.000 0.910 733 T HN 0.423 nan 8.240 nan 0.000 0.513 734 Q N 0.137 119.837 119.800 -0.167 0.000 2.378 734 Q HA 0.253 4.597 4.340 0.007 0.000 0.205 734 Q C 2.102 178.012 176.000 -0.150 0.000 0.954 734 Q CA 0.286 56.050 55.803 -0.066 0.000 0.901 734 Q CB -0.317 28.497 28.738 0.128 0.000 0.981 734 Q HN 0.486 nan 8.270 nan 0.000 0.483 735 L N 0.935 121.931 121.223 -0.377 0.000 1.989 735 L HA -0.195 4.149 4.340 0.007 0.000 0.211 735 L C -0.721 175.998 176.870 -0.253 0.000 1.071 735 L CA 1.611 56.165 54.840 -0.477 0.000 0.749 735 L CB -1.174 40.480 42.059 -0.675 0.000 0.890 735 L HN 0.145 nan 8.230 nan 0.000 0.431 736 P HA -0.265 nan 4.420 nan 0.000 0.217 736 P C 1.296 178.546 177.300 -0.083 0.000 1.158 736 P CA 1.623 64.647 63.100 -0.128 0.000 0.887 736 P CB 0.027 31.663 31.700 -0.107 0.000 0.792 737 E N -0.546 119.614 120.200 -0.067 0.000 2.086 737 E HA -0.250 4.105 4.350 0.007 0.000 0.200 737 E C 1.715 178.306 176.600 -0.015 0.000 1.012 737 E CA 1.477 57.859 56.400 -0.029 0.000 0.812 737 E CB -0.078 29.616 29.700 -0.009 0.000 0.743 737 E HN 0.101 nan 8.360 nan 0.000 0.453 738 K N -0.941 119.452 120.400 -0.011 0.000 2.314 738 K HA 0.105 4.429 4.320 0.007 0.000 0.198 738 K C 0.525 177.122 176.600 -0.005 0.000 1.045 738 K CA 0.361 56.660 56.287 0.020 0.000 0.988 738 K CB 0.553 33.112 32.500 0.097 0.000 0.783 738 K HN 0.186 nan 8.250 nan 0.000 0.484 739 M N 1.358 120.929 119.600 -0.048 0.000 2.259 739 M HA 0.196 4.680 4.480 0.007 0.000 0.304 739 M C -0.220 176.044 176.300 -0.060 0.000 1.019 739 M CA -0.457 54.807 55.300 -0.059 0.000 0.922 739 M CB 2.397 34.930 32.600 -0.111 0.000 1.600 739 M HN -0.036 nan 8.290 nan 0.000 0.433 740 E N 0.822 120.997 120.200 -0.041 0.000 2.398 740 E HA 0.246 4.600 4.350 0.007 0.000 0.263 740 E C 0.929 177.503 176.600 -0.043 0.000 1.046 740 E CA 1.492 57.871 56.400 -0.035 0.000 0.908 740 E CB 0.743 30.429 29.700 -0.023 0.000 0.963 740 E HN 0.951 nan 8.360 nan 0.000 0.431 741 G N 2.358 111.136 108.800 -0.038 0.000 2.184 741 G HA2 -0.256 3.709 3.960 0.007 0.000 0.264 741 G HA3 -0.256 3.709 3.960 0.007 0.000 0.264 741 G C 0.033 174.904 174.900 -0.048 0.000 0.975 741 G CA 0.409 45.487 45.100 -0.037 0.000 0.642 741 G HN 0.431 nan 8.290 nan 0.000 0.536 742 V N 0.380 120.253 119.914 -0.068 0.000 2.581 742 V HA 0.910 5.035 4.120 0.007 0.000 0.303 742 V C 0.388 176.434 176.094 -0.080 0.000 1.041 742 V CA -0.094 62.151 62.300 -0.092 0.000 0.907 742 V CB 1.638 33.370 31.823 -0.153 0.000 0.994 742 V HN 1.471 nan 8.190 nan 0.000 0.442 743 A N 3.376 126.155 122.820 -0.069 0.000 2.549 743 A HA 0.729 5.053 4.320 0.007 0.000 0.297 743 A C -0.988 176.569 177.584 -0.045 0.000 1.061 743 A CA -0.746 51.262 52.037 -0.048 0.000 0.690 743 A CB 1.544 20.532 19.000 -0.020 0.000 1.287 743 A HN 0.646 nan 8.150 nan 0.000 0.402 744 N N 0.678 119.353 118.700 -0.042 0.000 2.434 744 N HA 0.530 5.275 4.740 0.007 0.000 0.272 744 N C -0.210 175.313 175.510 0.023 0.000 1.040 744 N CA 0.047 53.078 53.050 -0.031 0.000 0.956 744 N CB 1.626 40.078 38.487 -0.059 0.000 1.108 744 N HN 0.836 nan 8.380 nan 0.000 0.481 745 V N 0.084 120.027 119.914 0.047 0.000 3.113 745 V HA 0.735 4.860 4.120 0.007 0.000 0.316 745 V C -0.497 175.666 176.094 0.115 0.000 1.125 745 V CA -0.737 61.598 62.300 0.058 0.000 1.026 745 V CB 2.432 34.263 31.823 0.012 0.000 1.080 745 V HN 0.844 nan 8.190 nan 0.000 0.444 746 H N 0.845 119.894 119.070 -0.034 0.000 3.064 746 H HA 0.617 5.177 4.556 0.007 0.000 0.352 746 H C -2.408 172.894 175.328 -0.044 0.000 1.260 746 H CA -1.049 54.992 56.048 -0.011 0.000 1.160 746 H CB 1.806 31.589 29.762 0.035 0.000 1.879 746 H HN 0.642 nan 8.280 nan 0.000 0.544 747 L N 2.560 123.788 121.223 0.008 0.000 2.275 747 L HA 0.201 4.545 4.340 0.007 0.000 0.288 747 L C 0.401 177.309 176.870 0.062 0.000 1.046 747 L CA -0.141 54.659 54.840 -0.066 0.000 0.805 747 L CB 1.000 43.044 42.059 -0.025 0.000 1.193 747 L HN 0.609 nan 8.230 nan 0.000 0.426 748 D N 2.181 122.552 120.400 -0.049 0.000 2.344 748 D HA 0.692 5.337 4.640 0.007 0.000 0.244 748 D C -0.738 175.515 176.300 -0.079 0.000 1.134 748 D CA 0.127 54.137 54.000 0.017 0.000 0.930 748 D CB 1.389 42.151 40.800 -0.063 0.000 1.175 748 D HN 0.622 nan 8.370 nan 0.000 0.437 749 A N 2.198 124.933 122.820 -0.142 0.000 2.513 749 A HA 0.469 4.794 4.320 0.007 0.000 0.296 749 A C -1.400 175.964 177.584 -0.367 0.000 1.052 749 A CA -0.679 51.124 52.037 -0.389 0.000 0.714 749 A CB 0.658 19.230 19.000 -0.712 0.000 1.279 749 A HN 0.466 nan 8.150 nan 0.000 0.397 750 L N 2.140 123.124 121.223 -0.399 0.000 2.257 750 L HA 0.419 4.763 4.340 0.007 0.000 0.290 750 L C 0.342 176.971 176.870 -0.402 0.000 1.044 750 L CA -0.252 54.373 54.840 -0.358 0.000 0.810 750 L CB 1.352 43.162 42.059 -0.414 0.000 1.193 750 L HN 0.759 nan 8.230 nan 0.000 0.425 751 E N 3.709 123.790 120.200 -0.199 0.000 2.194 751 E HA 0.223 4.578 4.350 0.007 0.000 0.284 751 E C -1.044 175.592 176.600 0.059 0.000 1.035 751 E CA -0.532 55.839 56.400 -0.048 0.000 0.836 751 E CB 0.646 30.374 29.700 0.047 0.000 1.070 751 E HN 0.440 nan 8.360 nan 0.000 0.401 752 H N 2.272 121.296 119.070 -0.076 0.000 3.108 752 H HA 0.469 5.029 4.556 0.007 0.000 0.329 752 H C 0.463 175.764 175.328 -0.045 0.000 0.978 752 H CA -0.805 55.211 56.048 -0.053 0.000 1.413 752 H CB 0.478 30.206 29.762 -0.058 0.000 1.670 752 H HN 0.687 nan 8.280 nan 0.000 0.512 753 G N 3.232 112.044 108.800 0.020 0.000 2.550 753 G HA2 -0.314 3.651 3.960 0.007 0.000 0.277 753 G HA3 -0.314 3.651 3.960 0.007 0.000 0.277 753 G C -0.162 174.720 174.900 -0.030 0.000 1.190 753 G CA 0.449 45.526 45.100 -0.039 0.000 0.971 753 G HN 0.648 nan 8.290 nan 0.000 0.559 754 D N 1.677 122.043 120.400 -0.057 0.000 2.690 754 D HA 0.470 5.114 4.640 0.007 0.000 0.236 754 D C 0.710 176.984 176.300 -0.043 0.000 1.218 754 D CA 1.263 55.241 54.000 -0.036 0.000 0.829 754 D CB 0.348 41.128 40.800 -0.034 0.000 1.009 754 D HN 0.616 nan 8.370 nan 0.000 0.482 755 T N -0.708 113.820 114.554 -0.043 0.000 2.840 755 T HA 0.542 4.896 4.350 0.007 0.000 0.317 755 T C -1.712 173.017 174.700 0.047 0.000 1.401 755 T CA -0.742 61.340 62.100 -0.031 0.000 1.028 755 T CB 1.592 70.400 68.868 -0.100 0.000 1.317 755 T HN 0.036 nan 8.240 nan 0.000 0.495 756 I N 2.595 123.134 120.570 -0.052 0.000 2.569 756 I HA 0.839 5.014 4.170 0.007 0.000 0.296 756 I C -0.653 175.204 176.117 -0.434 0.000 1.028 756 I CA -0.732 60.401 61.300 -0.278 0.000 1.082 756 I CB 1.578 39.304 38.000 -0.456 0.000 1.264 756 I HN 0.859 nan 8.210 nan 0.000 0.429 757 A N 6.632 129.110 122.820 -0.570 0.000 2.331 757 A HA 0.713 5.037 4.320 0.007 0.000 0.320 757 A C -1.479 175.680 177.584 -0.708 0.000 1.138 757 A CA -0.373 51.356 52.037 -0.514 0.000 0.790 757 A CB 0.530 19.315 19.000 -0.358 0.000 1.206 757 A HN 0.573 nan 8.150 nan 0.000 0.470 758 F N 2.975 122.760 119.950 -0.274 0.000 2.361 758 F HA 0.305 4.836 4.527 0.007 0.000 0.364 758 F C 1.274 176.706 175.800 -0.613 0.000 1.120 758 F CA -0.668 57.058 58.000 -0.456 0.000 1.102 758 F CB 1.434 40.141 39.000 -0.488 0.000 1.183 758 F HN 0.483 nan 8.300 nan 0.000 0.476 759 M N 1.195 120.593 119.600 -0.337 0.000 2.514 759 M HA 0.030 4.514 4.480 0.007 0.000 0.258 759 M C 0.423 176.629 176.300 -0.156 0.000 1.119 759 M CA 0.610 55.778 55.300 -0.221 0.000 1.111 759 M CB -1.180 31.324 32.600 -0.159 0.000 1.390 759 M HN 0.781 nan 8.290 nan 0.000 0.475 760 H N -0.151 118.883 119.070 -0.059 0.000 2.820 760 H HA -0.114 4.446 4.556 0.007 0.000 0.295 760 H C 0.160 175.396 175.328 -0.154 0.000 1.187 760 H CA 0.623 56.597 56.048 -0.122 0.000 1.144 760 H CB -1.772 27.873 29.762 -0.194 0.000 1.354 760 H HN 0.357 nan 8.280 nan 0.000 0.395 761 S N 0.215 115.865 115.700 -0.082 0.000 2.552 761 S HA 0.555 5.029 4.470 0.007 0.000 0.314 761 S C -0.007 174.470 174.600 -0.204 0.000 1.099 761 S CA -0.734 57.396 58.200 -0.117 0.000 1.070 761 S CB 1.304 64.446 63.200 -0.098 0.000 0.998 761 S HN 0.226 nan 8.310 nan 0.000 0.474 762 V N 5.685 125.446 119.914 -0.254 0.000 2.530 762 V HA 0.440 4.564 4.120 0.007 0.000 0.282 762 V C -0.107 175.806 176.094 -0.301 0.000 1.048 762 V CA -0.223 61.854 62.300 -0.372 0.000 0.997 762 V CB 1.167 32.653 31.823 -0.562 0.000 0.987 762 V HN 0.833 nan 8.190 nan 0.000 0.477 763 Q N 2.096 121.648 119.800 -0.414 0.000 2.397 763 Q HA 0.432 4.776 4.340 0.007 0.000 0.275 763 Q C -1.235 174.631 176.000 -0.223 0.000 1.090 763 Q CA -0.873 54.729 55.803 -0.335 0.000 0.809 763 Q CB 2.565 31.032 28.738 -0.451 0.000 1.362 763 Q HN 0.643 nan 8.270 nan 0.000 0.431 764 D N 0.606 120.967 120.400 -0.066 0.000 2.382 764 D HA 0.497 5.141 4.640 0.007 0.000 0.245 764 D C 0.693 177.053 176.300 0.099 0.000 1.120 764 D CA 1.154 55.161 54.000 0.012 0.000 0.890 764 D CB 0.971 41.778 40.800 0.012 0.000 1.201 764 D HN 0.721 nan 8.370 nan 0.000 0.433 765 G N -0.013 108.849 108.800 0.105 0.000 2.612 765 G HA2 0.289 4.254 3.960 0.007 0.000 0.686 765 G HA3 0.289 4.254 3.960 0.007 0.000 0.686 765 G C -0.342 174.648 174.900 0.150 0.000 1.274 765 G CA -0.401 44.762 45.100 0.106 0.000 0.849 765 G HN 0.658 nan 8.290 nan 0.000 0.595 766 A N 0.092 122.909 122.820 -0.006 0.000 2.346 766 A HA 0.926 5.251 4.320 0.007 0.000 0.252 766 A C 1.306 178.710 177.584 -0.299 0.000 1.089 766 A CA 1.192 53.157 52.037 -0.119 0.000 0.797 766 A CB 0.180 19.036 19.000 -0.240 0.000 1.047 766 A HN 2.649 nan 8.150 nan 0.000 0.494 767 A N 0.287 122.889 122.820 -0.363 0.000 2.448 767 A HA 0.387 4.711 4.320 0.007 0.000 0.239 767 A C 1.714 179.214 177.584 -0.141 0.000 1.080 767 A CA 0.565 52.312 52.037 -0.484 0.000 0.779 767 A CB -0.192 18.778 19.000 -0.051 0.000 1.026 767 A HN 1.817 nan 8.150 nan 0.000 0.499 768 S N 0.690 116.314 115.700 -0.127 0.000 2.356 768 S HA -0.081 4.393 4.470 0.007 0.000 0.223 768 S C 0.836 175.422 174.600 -0.022 0.000 1.032 768 S CA 1.603 59.787 58.200 -0.027 0.000 1.005 768 S CB -0.396 62.796 63.200 -0.013 0.000 0.867 768 S HN 0.945 nan 8.310 nan 0.000 0.449 769 K N 0.007 120.314 120.400 -0.156 0.000 2.430 769 K HA 0.567 4.891 4.320 0.007 0.000 0.268 769 K C -1.056 175.216 176.600 -0.547 0.000 1.043 769 K CA -0.615 55.440 56.287 -0.387 0.000 0.899 769 K CB 1.248 33.484 32.500 -0.441 0.000 1.472 769 K HN 0.176 nan 8.250 nan 0.000 0.451 770 S N -0.441 114.900 115.700 -0.598 0.000 2.654 770 S HA 0.393 4.867 4.470 0.007 0.000 0.283 770 S C -0.554 173.692 174.600 -0.590 0.000 1.180 770 S CA -0.666 57.262 58.200 -0.452 0.000 1.021 770 S CB 0.215 63.331 63.200 -0.141 0.000 1.018 770 S HN 0.613 nan 8.310 nan 0.000 0.532 771 Y N 0.394 120.712 120.300 0.029 0.000 2.736 771 Y HA 0.406 4.960 4.550 0.007 0.000 0.293 771 Y C 1.776 177.695 175.900 0.032 0.000 1.062 771 Y CA -0.758 57.354 58.100 0.021 0.000 1.247 771 Y CB -0.121 38.359 38.460 0.033 0.000 1.200 771 Y HN 0.877 nan 8.280 nan 0.000 0.552 772 G N 0.586 109.440 108.800 0.090 0.000 2.433 772 G HA2 -0.199 3.766 3.960 0.007 0.000 0.216 772 G HA3 -0.199 3.766 3.960 0.007 0.000 0.216 772 G C 1.542 176.475 174.900 0.055 0.000 1.186 772 G CA 0.831 45.969 45.100 0.064 0.000 0.779 772 G HN 0.407 nan 8.290 nan 0.000 0.543 773 L N 0.680 121.923 121.223 0.033 0.000 2.083 773 L HA -0.077 4.267 4.340 0.007 0.000 0.209 773 L C 3.407 180.307 176.870 0.049 0.000 1.083 773 L CA 1.029 55.885 54.840 0.027 0.000 0.752 773 L CB -0.601 41.461 42.059 0.006 0.000 0.899 773 L HN 0.329 nan 8.230 nan 0.000 0.433 774 A N 0.006 122.876 122.820 0.083 0.000 1.877 774 A HA -0.139 4.185 4.320 0.007 0.000 0.216 774 A C 2.347 179.985 177.584 0.090 0.000 1.186 774 A CA 1.742 53.833 52.037 0.090 0.000 0.620 774 A CB -0.795 18.285 19.000 0.133 0.000 0.822 774 A HN 0.190 nan 8.150 nan 0.000 0.443 775 V N -0.155 119.835 119.914 0.126 0.000 2.407 775 V HA -0.224 3.900 4.120 0.007 0.000 0.248 775 V C 3.018 179.165 176.094 0.087 0.000 1.055 775 V CA 1.818 64.202 62.300 0.141 0.000 1.049 775 V CB -1.150 30.771 31.823 0.163 0.000 0.662 775 V HN 0.616 nan 8.190 nan 0.000 0.455 776 A N -0.025 122.832 122.820 0.061 0.000 1.933 776 A HA -0.076 4.248 4.320 0.007 0.000 0.218 776 A C 2.384 179.988 177.584 0.032 0.000 1.175 776 A CA 1.931 53.989 52.037 0.036 0.000 0.628 776 A CB -0.616 18.397 19.000 0.022 0.000 0.814 776 A HN 0.561 nan 8.150 nan 0.000 0.444 777 A N -0.843 121.998 122.820 0.035 0.000 1.968 777 A HA 0.076 4.400 4.320 0.007 0.000 0.217 777 A C 2.038 179.640 177.584 0.030 0.000 1.169 777 A CA 1.456 53.509 52.037 0.027 0.000 0.638 777 A CB -0.462 18.551 19.000 0.023 0.000 0.812 777 A HN 0.546 nan 8.150 nan 0.000 0.446 778 L N -0.436 120.815 121.223 0.047 0.000 2.141 778 L HA 0.023 4.367 4.340 0.007 0.000 0.209 778 L C 2.439 179.338 176.870 0.047 0.000 1.094 778 L CA 1.783 56.657 54.840 0.056 0.000 0.763 778 L CB -0.409 41.708 42.059 0.097 0.000 0.908 778 L HN 0.316 nan 8.230 nan 0.000 0.437 779 A N -1.187 121.659 122.820 0.042 0.000 2.235 779 A HA 0.381 4.705 4.320 0.007 0.000 0.208 779 A C 1.645 179.241 177.584 0.020 0.000 1.172 779 A CA 0.632 52.687 52.037 0.030 0.000 0.786 779 A CB -0.809 18.207 19.000 0.026 0.000 0.804 779 A HN 0.758 nan 8.150 nan 0.000 0.479 780 G N -1.492 107.319 108.800 0.019 0.000 2.131 780 G HA2 -0.170 3.795 3.960 0.007 0.000 0.223 780 G HA3 -0.170 3.795 3.960 0.007 0.000 0.223 780 G C 0.112 175.017 174.900 0.009 0.000 0.990 780 G CA -0.035 45.072 45.100 0.012 0.000 0.671 780 G HN 0.711 nan 8.290 nan 0.000 0.521 781 V N 2.068 121.988 119.914 0.009 0.000 2.540 781 V HA 0.261 4.386 4.120 0.007 0.000 0.297 781 V C -0.881 175.216 176.094 0.004 0.000 1.024 781 V CA -0.678 61.626 62.300 0.006 0.000 1.105 781 V CB 0.711 32.538 31.823 0.006 0.000 0.938 781 V HN 0.243 nan 8.190 nan 0.000 0.482 782 P HA 0.008 nan 4.420 nan 0.000 0.264 782 P C 0.678 177.978 177.300 0.000 0.000 1.179 782 P CA 0.202 63.302 63.100 0.000 0.000 0.763 782 P CB 0.451 32.151 31.700 -0.001 0.000 0.806 783 K N 2.082 122.482 120.400 -0.001 0.000 2.097 783 K HA -0.190 4.135 4.320 0.007 0.000 0.206 783 K C 1.764 178.362 176.600 -0.002 0.000 1.049 783 K CA 1.724 58.010 56.287 -0.001 0.000 0.933 783 K CB -0.053 32.445 32.500 -0.003 0.000 0.717 783 K HN 0.609 nan 8.250 nan 0.000 0.442 784 E N 0.650 120.848 120.200 -0.003 0.000 2.118 784 E HA -0.172 4.182 4.350 0.007 0.000 0.195 784 E C 1.899 178.496 176.600 -0.004 0.000 0.992 784 E CA 1.299 57.697 56.400 -0.004 0.000 0.804 784 E CB -0.348 29.350 29.700 -0.004 0.000 0.741 784 E HN 0.004 nan 8.360 nan 0.000 0.458 785 V N 1.602 121.514 119.914 -0.003 0.000 2.453 785 V HA -0.193 3.932 4.120 0.007 0.000 0.247 785 V C 2.266 178.358 176.094 -0.004 0.000 1.048 785 V CA 1.096 63.393 62.300 -0.004 0.000 1.049 785 V CB -0.324 31.497 31.823 -0.003 0.000 0.672 785 V HN 0.315 nan 8.190 nan 0.000 0.457 786 I N 0.379 120.947 120.570 -0.002 0.000 2.394 786 I HA -0.198 3.976 4.170 0.007 0.000 0.251 786 I C 2.415 178.530 176.117 -0.004 0.000 1.136 786 I CA 1.614 62.913 61.300 -0.002 0.000 1.425 786 I CB -1.023 36.978 38.000 0.002 0.000 1.079 786 I HN 0.402 nan 8.210 nan 0.000 0.425 787 K N 1.206 121.604 120.400 -0.005 0.000 2.057 787 K HA -0.236 4.088 4.320 0.007 0.000 0.207 787 K C 2.339 178.934 176.600 -0.007 0.000 1.049 787 K CA 1.432 57.715 56.287 -0.006 0.000 0.931 787 K CB 0.002 32.499 32.500 -0.005 0.000 0.714 787 K HN -0.042 nan 8.250 nan 0.000 0.440 788 R N 0.735 121.231 120.500 -0.007 0.000 2.075 788 R HA -0.004 4.341 4.340 0.007 0.000 0.232 788 R C 1.934 178.228 176.300 -0.010 0.000 1.126 788 R CA 1.739 57.834 56.100 -0.008 0.000 0.963 788 R CB -0.748 29.547 30.300 -0.007 0.000 0.858 788 R HN 0.318 nan 8.270 nan 0.000 0.435 789 A N 0.276 123.090 122.820 -0.010 0.000 1.969 789 A HA -0.083 4.241 4.320 0.007 0.000 0.218 789 A C 2.129 179.704 177.584 -0.016 0.000 1.169 789 A CA 1.364 53.393 52.037 -0.012 0.000 0.635 789 A CB -0.372 18.622 19.000 -0.011 0.000 0.810 789 A HN 0.350 nan 8.150 nan 0.000 0.445 790 R N -0.995 119.496 120.500 -0.015 0.000 2.148 790 R HA -0.067 4.278 4.340 0.007 0.000 0.223 790 R C 2.412 178.701 176.300 -0.019 0.000 1.088 790 R CA 1.172 57.260 56.100 -0.019 0.000 0.985 790 R CB -0.151 30.140 30.300 -0.015 0.000 0.880 790 R HN 0.748 nan 8.270 nan 0.000 0.451 791 Q N 0.829 120.620 119.800 -0.015 0.000 2.049 791 Q HA -0.177 4.167 4.340 0.007 0.000 0.198 791 Q C 1.818 177.809 176.000 -0.014 0.000 0.971 791 Q CA 1.366 57.161 55.803 -0.013 0.000 0.833 791 Q CB 0.153 28.885 28.738 -0.010 0.000 0.896 791 Q HN -0.082 nan 8.270 nan 0.000 0.434 792 K N 0.518 120.910 120.400 -0.013 0.000 2.152 792 K HA -0.167 4.158 4.320 0.007 0.000 0.206 792 K C 1.882 178.472 176.600 -0.016 0.000 1.048 792 K CA 0.844 57.123 56.287 -0.013 0.000 0.933 792 K CB -0.475 32.017 32.500 -0.012 0.000 0.721 792 K HN 0.226 nan 8.250 nan 0.000 0.447 793 L N 0.801 122.010 121.223 -0.022 0.000 2.056 793 L HA -0.035 4.309 4.340 0.007 0.000 0.207 793 L C 2.027 178.877 176.870 -0.033 0.000 1.078 793 L CA 1.667 56.488 54.840 -0.032 0.000 0.749 793 L CB -0.481 41.551 42.059 -0.044 0.000 0.901 793 L HN 0.123 nan 8.230 nan 0.000 0.433 794 R N -0.440 120.042 120.500 -0.029 0.000 2.081 794 R HA -0.172 4.173 4.340 0.007 0.000 0.235 794 R C 2.129 178.417 176.300 -0.019 0.000 1.131 794 R CA 1.718 57.801 56.100 -0.027 0.000 0.960 794 R CB -0.253 30.034 30.300 -0.022 0.000 0.856 794 R HN 0.516 nan 8.270 nan 0.000 0.436 795 E N 0.422 120.614 120.200 -0.014 0.000 2.086 795 E HA -0.242 4.112 4.350 0.007 0.000 0.200 795 E C 1.939 178.536 176.600 -0.005 0.000 1.012 795 E CA 1.453 57.848 56.400 -0.008 0.000 0.812 795 E CB -0.169 29.527 29.700 -0.006 0.000 0.743 795 E HN 0.301 nan 8.360 nan 0.000 0.453 796 L N 0.561 121.780 121.223 -0.006 0.000 2.217 796 L HA -0.123 4.221 4.340 0.007 0.000 0.211 796 L C 2.042 178.910 176.870 -0.003 0.000 1.107 796 L CA 0.918 55.760 54.840 0.003 0.000 0.783 796 L CB -0.139 41.924 42.059 0.006 0.000 0.919 796 L HN 0.075 nan 8.230 nan 0.000 0.442 797 E N -0.552 119.637 120.200 -0.019 0.000 2.435 797 E HA -0.091 4.263 4.350 0.007 0.000 0.195 797 E C 2.074 178.664 176.600 -0.016 0.000 1.029 797 E CA 0.900 57.283 56.400 -0.028 0.000 0.865 797 E CB 0.152 29.822 29.700 -0.051 0.000 0.833 797 E HN 0.451 nan 8.360 nan 0.000 0.510 798 S N 0.185 115.878 115.700 -0.011 0.000 2.558 798 S HA 0.036 4.511 4.470 0.007 0.000 0.217 798 S C 1.875 176.473 174.600 -0.002 0.000 0.975 798 S CA -0.120 58.076 58.200 -0.007 0.000 0.912 798 S CB -0.265 62.931 63.200 -0.008 0.000 0.776 798 S HN 0.155 nan 8.310 nan 0.000 0.526 799 I N 1.315 121.886 120.570 0.001 0.000 2.151 799 I HA -0.120 4.055 4.170 0.007 0.000 0.243 799 I C 1.779 177.898 176.117 0.002 0.000 1.080 799 I CA 1.186 62.489 61.300 0.004 0.000 1.339 799 I CB -0.394 37.614 38.000 0.012 0.000 1.039 799 I HN 0.414 nan 8.210 nan 0.000 0.409 800 S N 0.000 115.703 115.700 0.005 0.000 2.498 800 S HA 0.000 4.474 4.470 0.007 0.000 0.327 800 S CA 0.000 58.204 58.200 0.006 0.000 1.107 800 S CB 0.000 63.208 63.200 0.013 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517